USER MOD reduce.3.24.130724 H: found=0, std=0, add=128, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 131 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 413 TYR OH : rot 44:sc= 1.62 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 407 -5.143 -7.106 -3.862 1.00 0.00 N ATOM 2 CA CYS A 407 -4.333 -7.087 -2.635 1.00 0.00 C ATOM 3 C CYS A 407 -4.865 -6.017 -1.664 1.00 0.00 C ATOM 4 O CYS A 407 -5.165 -6.328 -0.523 1.00 0.00 O ATOM 5 CB CYS A 407 -2.872 -6.790 -2.993 1.00 0.00 C ATOM 6 SG CYS A 407 -1.867 -8.271 -2.720 1.00 0.00 S ATOM 0 HA CYS A 407 -4.396 -8.061 -2.149 1.00 0.00 H new ATOM 0 HB2 CYS A 407 -2.799 -6.475 -4.034 1.00 0.00 H new ATOM 0 HB3 CYS A 407 -2.498 -5.967 -2.384 1.00 0.00 H new ATOM 12 N GLU A 408 -4.993 -4.773 -2.135 1.00 0.00 N ATOM 13 CA GLU A 408 -5.526 -3.616 -1.312 1.00 0.00 C ATOM 14 C GLU A 408 -4.581 -3.241 -0.144 1.00 0.00 C ATOM 15 O GLU A 408 -3.850 -4.071 0.389 1.00 0.00 O ATOM 16 CB GLU A 408 -6.918 -3.955 -0.767 1.00 0.00 C ATOM 17 CG GLU A 408 -7.985 -3.810 -1.875 1.00 0.00 C ATOM 18 CD GLU A 408 -7.858 -4.943 -2.915 1.00 0.00 C ATOM 19 OE1 GLU A 408 -8.241 -6.062 -2.605 1.00 0.00 O ATOM 20 OE2 GLU A 408 -7.375 -4.671 -4.003 1.00 0.00 O ATOM 0 H GLU A 408 -4.740 -4.512 -3.088 1.00 0.00 H new ATOM 0 HA GLU A 408 -5.588 -2.751 -1.973 1.00 0.00 H new ATOM 0 HB2 GLU A 408 -6.925 -4.974 -0.379 1.00 0.00 H new ATOM 0 HB3 GLU A 408 -7.159 -3.295 0.066 1.00 0.00 H new ATOM 0 HG2 GLU A 408 -8.980 -3.828 -1.431 1.00 0.00 H new ATOM 0 HG3 GLU A 408 -7.874 -2.844 -2.368 1.00 0.00 H new ATOM 27 N ALA A 409 -4.595 -1.972 0.238 1.00 0.00 N ATOM 28 CA ALA A 409 -3.717 -1.474 1.354 1.00 0.00 C ATOM 29 C ALA A 409 -4.500 -1.508 2.698 1.00 0.00 C ATOM 30 O ALA A 409 -5.586 -0.947 2.784 1.00 0.00 O ATOM 31 CB ALA A 409 -3.253 -0.042 1.028 1.00 0.00 C ATOM 0 H ALA A 409 -5.186 -1.256 -0.185 1.00 0.00 H new ATOM 0 HA ALA A 409 -2.842 -2.117 1.454 1.00 0.00 H new ATOM 0 HB1 ALA A 409 -2.616 0.326 1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 409 -2.692 -0.045 0.093 1.00 0.00 H new ATOM 0 HB3 ALA A 409 -4.122 0.608 0.927 1.00 0.00 H new ATOM 37 N PRO A 410 -3.926 -2.176 3.711 1.00 0.00 N ATOM 38 CA PRO A 410 -4.554 -2.309 5.066 1.00 0.00 C ATOM 39 C PRO A 410 -4.561 -0.980 5.869 1.00 0.00 C ATOM 40 O PRO A 410 -4.141 0.063 5.382 1.00 0.00 O ATOM 41 CB PRO A 410 -3.688 -3.377 5.757 1.00 0.00 C ATOM 42 CG PRO A 410 -2.332 -3.392 5.018 1.00 0.00 C ATOM 43 CD PRO A 410 -2.606 -2.855 3.605 1.00 0.00 C ATOM 0 HA PRO A 410 -5.608 -2.579 4.999 1.00 0.00 H new ATOM 0 HB2 PRO A 410 -3.551 -3.141 6.812 1.00 0.00 H new ATOM 0 HB3 PRO A 410 -4.167 -4.355 5.708 1.00 0.00 H new ATOM 0 HG2 PRO A 410 -1.600 -2.771 5.535 1.00 0.00 H new ATOM 0 HG3 PRO A 410 -1.922 -4.401 4.978 1.00 0.00 H new ATOM 0 HD2 PRO A 410 -1.828 -2.161 3.287 1.00 0.00 H new ATOM 0 HD3 PRO A 410 -2.633 -3.662 2.873 1.00 0.00 H new ATOM 51 N GLU A 411 -5.060 -1.036 7.102 1.00 0.00 N ATOM 52 CA GLU A 411 -5.144 0.180 8.003 1.00 0.00 C ATOM 53 C GLU A 411 -3.751 0.816 8.181 1.00 0.00 C ATOM 54 O GLU A 411 -2.789 0.137 8.530 1.00 0.00 O ATOM 55 CB GLU A 411 -5.700 -0.234 9.371 1.00 0.00 C ATOM 56 CG GLU A 411 -7.188 -0.619 9.238 1.00 0.00 C ATOM 57 CD GLU A 411 -7.352 -2.147 9.339 1.00 0.00 C ATOM 58 OE1 GLU A 411 -7.245 -2.806 8.313 1.00 0.00 O ATOM 59 OE2 GLU A 411 -7.584 -2.631 10.434 1.00 0.00 O ATOM 0 H GLU A 411 -5.418 -1.892 7.526 1.00 0.00 H new ATOM 0 HA GLU A 411 -5.807 0.913 7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -5.131 -1.076 9.765 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -5.589 0.585 10.081 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -7.769 -0.131 10.020 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -7.579 -0.266 8.284 1.00 0.00 H new ATOM 66 N GLY A 412 -3.639 2.108 7.893 1.00 0.00 N ATOM 67 CA GLY A 412 -2.311 2.824 7.980 1.00 0.00 C ATOM 68 C GLY A 412 -1.644 2.828 6.589 1.00 0.00 C ATOM 69 O GLY A 412 -1.021 3.805 6.201 1.00 0.00 O ATOM 0 H GLY A 412 -4.418 2.697 7.600 1.00 0.00 H new ATOM 0 HA2 GLY A 412 -2.458 3.846 8.329 1.00 0.00 H new ATOM 0 HA3 GLY A 412 -1.665 2.329 8.705 1.00 0.00 H new ATOM 73 N TYR A 413 -1.796 1.738 5.842 1.00 0.00 N ATOM 74 CA TYR A 413 -1.223 1.612 4.463 1.00 0.00 C ATOM 75 C TYR A 413 -2.026 2.484 3.476 1.00 0.00 C ATOM 76 O TYR A 413 -3.254 2.486 3.496 1.00 0.00 O ATOM 77 CB TYR A 413 -1.337 0.154 4.014 1.00 0.00 C ATOM 78 CG TYR A 413 -0.014 -0.344 3.512 1.00 0.00 C ATOM 79 CD1 TYR A 413 0.873 -0.936 4.401 1.00 0.00 C ATOM 80 CD2 TYR A 413 0.307 -0.242 2.158 1.00 0.00 C ATOM 81 CE1 TYR A 413 2.090 -1.435 3.942 1.00 0.00 C ATOM 82 CE2 TYR A 413 1.524 -0.732 1.694 1.00 0.00 C ATOM 83 CZ TYR A 413 2.421 -1.335 2.585 1.00 0.00 C ATOM 84 OH TYR A 413 3.626 -1.826 2.123 1.00 0.00 O ATOM 0 H TYR A 413 -2.311 0.914 6.152 1.00 0.00 H new ATOM 0 HA TYR A 413 -0.182 1.935 4.477 1.00 0.00 H new ATOM 0 HB2 TYR A 413 -1.673 -0.464 4.846 1.00 0.00 H new ATOM 0 HB3 TYR A 413 -2.087 0.066 3.228 1.00 0.00 H new ATOM 0 HD1 TYR A 413 0.620 -1.010 5.448 1.00 0.00 H new ATOM 0 HD2 TYR A 413 -0.388 0.217 1.471 1.00 0.00 H new ATOM 0 HE1 TYR A 413 2.778 -1.899 4.633 1.00 0.00 H new ATOM 0 HE2 TYR A 413 1.777 -0.647 0.647 1.00 0.00 H new ATOM 0 HH TYR A 413 3.795 -2.705 2.521 1.00 0.00 H new ATOM 94 N ILE A 414 -1.336 3.203 2.609 1.00 0.00 N ATOM 95 CA ILE A 414 -2.026 4.082 1.589 1.00 0.00 C ATOM 96 C ILE A 414 -1.000 4.644 0.574 1.00 0.00 C ATOM 97 O ILE A 414 -0.235 5.552 0.881 1.00 0.00 O ATOM 98 CB ILE A 414 -2.815 5.236 2.304 1.00 0.00 C ATOM 99 CG1 ILE A 414 -3.266 6.319 1.297 1.00 0.00 C ATOM 100 CG2 ILE A 414 -1.952 5.906 3.387 1.00 0.00 C ATOM 101 CD1 ILE A 414 -4.174 5.715 0.218 1.00 0.00 C ATOM 0 H ILE A 414 -0.317 3.220 2.563 1.00 0.00 H new ATOM 0 HA ILE A 414 -2.745 3.479 1.035 1.00 0.00 H new ATOM 0 HB ILE A 414 -3.693 4.780 2.762 1.00 0.00 H new ATOM 0 HG12 ILE A 414 -3.797 7.113 1.823 1.00 0.00 H new ATOM 0 HG13 ILE A 414 -2.393 6.775 0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 414 -2.523 6.701 3.866 1.00 0.00 H new ATOM 0 HG22 ILE A 414 -1.665 5.165 4.133 1.00 0.00 H new ATOM 0 HG23 ILE A 414 -1.056 6.327 2.930 1.00 0.00 H new ATOM 0 HD11 ILE A 414 -4.479 6.495 -0.479 1.00 0.00 H new ATOM 0 HD12 ILE A 414 -3.632 4.938 -0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 414 -5.058 5.282 0.687 1.00 0.00 H new ATOM 113 N LEU A 415 -0.996 4.103 -0.641 1.00 0.00 N ATOM 114 CA LEU A 415 -0.052 4.599 -1.702 1.00 0.00 C ATOM 115 C LEU A 415 -0.803 5.557 -2.644 1.00 0.00 C ATOM 116 O LEU A 415 -1.679 5.149 -3.407 1.00 0.00 O ATOM 117 CB LEU A 415 0.524 3.432 -2.515 1.00 0.00 C ATOM 118 CG LEU A 415 1.784 2.842 -1.848 1.00 0.00 C ATOM 119 CD1 LEU A 415 2.915 3.877 -1.849 1.00 0.00 C ATOM 120 CD2 LEU A 415 1.487 2.407 -0.403 1.00 0.00 C ATOM 0 H LEU A 415 -1.608 3.341 -0.934 1.00 0.00 H new ATOM 0 HA LEU A 415 0.773 5.120 -1.216 1.00 0.00 H new ATOM 0 HB2 LEU A 415 -0.231 2.653 -2.620 1.00 0.00 H new ATOM 0 HB3 LEU A 415 0.770 3.775 -3.520 1.00 0.00 H new ATOM 0 HG LEU A 415 2.091 1.967 -2.420 1.00 0.00 H new ATOM 0 HD11 LEU A 415 3.799 3.450 -1.376 1.00 0.00 H new ATOM 0 HD12 LEU A 415 3.152 4.156 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 415 2.599 4.762 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 415 2.391 1.994 0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 415 1.155 3.269 0.176 1.00 0.00 H new ATOM 0 HD23 LEU A 415 0.704 1.649 -0.405 1.00 0.00 H new ATOM 132 N ASP A 416 -0.437 6.824 -2.594 1.00 0.00 N ATOM 133 CA ASP A 416 -1.074 7.882 -3.471 1.00 0.00 C ATOM 134 C ASP A 416 -0.805 7.595 -4.972 1.00 0.00 C ATOM 135 O ASP A 416 -1.593 7.989 -5.823 1.00 0.00 O ATOM 136 CB ASP A 416 -0.520 9.277 -3.086 1.00 0.00 C ATOM 137 CG ASP A 416 1.018 9.319 -3.210 1.00 0.00 C ATOM 138 OD1 ASP A 416 1.681 8.984 -2.240 1.00 0.00 O ATOM 139 OD2 ASP A 416 1.500 9.689 -4.268 1.00 0.00 O ATOM 0 H ASP A 416 0.289 7.179 -1.972 1.00 0.00 H new ATOM 0 HA ASP A 416 -2.152 7.863 -3.312 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.961 10.037 -3.731 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -0.812 9.518 -2.064 1.00 0.00 H new ATOM 144 N ASP A 417 0.289 6.902 -5.283 1.00 0.00 N ATOM 145 CA ASP A 417 0.646 6.548 -6.710 1.00 0.00 C ATOM 146 C ASP A 417 -0.462 5.683 -7.365 1.00 0.00 C ATOM 147 O ASP A 417 -0.620 5.708 -8.579 1.00 0.00 O ATOM 148 CB ASP A 417 1.975 5.754 -6.734 1.00 0.00 C ATOM 149 CG ASP A 417 3.071 6.487 -5.939 1.00 0.00 C ATOM 150 OD1 ASP A 417 3.768 7.297 -6.529 1.00 0.00 O ATOM 151 OD2 ASP A 417 3.198 6.214 -4.752 1.00 0.00 O ATOM 0 H ASP A 417 0.958 6.564 -4.591 1.00 0.00 H new ATOM 0 HA ASP A 417 0.748 7.477 -7.271 1.00 0.00 H new ATOM 0 HB2 ASP A 417 1.817 4.761 -6.312 1.00 0.00 H new ATOM 0 HB3 ASP A 417 2.301 5.614 -7.765 1.00 0.00 H new ATOM 156 N GLY A 418 -1.216 4.921 -6.571 1.00 0.00 N ATOM 157 CA GLY A 418 -2.310 4.040 -7.128 1.00 0.00 C ATOM 158 C GLY A 418 -2.420 2.733 -6.318 1.00 0.00 C ATOM 159 O GLY A 418 -3.509 2.206 -6.162 1.00 0.00 O ATOM 0 H GLY A 418 -1.113 4.877 -5.557 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -3.261 4.572 -7.101 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -2.102 3.810 -8.173 1.00 0.00 H new ATOM 163 N PHE A 419 -1.293 2.223 -5.805 1.00 0.00 N ATOM 164 CA PHE A 419 -1.253 0.959 -4.986 1.00 0.00 C ATOM 165 C PHE A 419 -1.461 -0.315 -5.832 1.00 0.00 C ATOM 166 O PHE A 419 -2.187 -0.331 -6.819 1.00 0.00 O ATOM 167 CB PHE A 419 -2.292 0.990 -3.848 1.00 0.00 C ATOM 168 CG PHE A 419 -1.923 -0.091 -2.867 1.00 0.00 C ATOM 169 CD1 PHE A 419 -0.788 0.070 -2.086 1.00 0.00 C ATOM 170 CD2 PHE A 419 -2.674 -1.269 -2.786 1.00 0.00 C ATOM 171 CE1 PHE A 419 -0.398 -0.928 -1.210 1.00 0.00 C ATOM 172 CE2 PHE A 419 -2.279 -2.281 -1.909 1.00 0.00 C ATOM 173 CZ PHE A 419 -1.140 -2.110 -1.116 1.00 0.00 C ATOM 0 H PHE A 419 -0.378 2.656 -5.933 1.00 0.00 H new ATOM 0 HA PHE A 419 -0.250 0.919 -4.562 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -2.297 1.965 -3.360 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -3.295 0.825 -4.241 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -0.207 0.977 -2.162 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -3.554 -1.395 -3.399 1.00 0.00 H new ATOM 0 HE1 PHE A 419 0.481 -0.794 -0.598 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -2.852 -3.194 -1.843 1.00 0.00 H new ATOM 0 HZ PHE A 419 -0.834 -2.888 -0.433 1.00 0.00 H new ATOM 183 N ILE A 420 -0.814 -1.389 -5.398 1.00 0.00 N ATOM 184 CA ILE A 420 -0.912 -2.725 -6.079 1.00 0.00 C ATOM 185 C ILE A 420 -0.903 -3.821 -4.994 1.00 0.00 C ATOM 186 O ILE A 420 -1.873 -4.544 -4.834 1.00 0.00 O ATOM 187 CB ILE A 420 0.277 -2.974 -7.054 1.00 0.00 C ATOM 188 CG1 ILE A 420 0.994 -1.669 -7.458 1.00 0.00 C ATOM 189 CG2 ILE A 420 -0.243 -3.667 -8.314 1.00 0.00 C ATOM 190 CD1 ILE A 420 2.024 -1.300 -6.382 1.00 0.00 C ATOM 0 H ILE A 420 -0.208 -1.386 -4.578 1.00 0.00 H new ATOM 0 HA ILE A 420 -1.832 -2.745 -6.664 1.00 0.00 H new ATOM 0 HB ILE A 420 1.001 -3.600 -6.533 1.00 0.00 H new ATOM 0 HG12 ILE A 420 1.488 -1.795 -8.422 1.00 0.00 H new ATOM 0 HG13 ILE A 420 0.269 -0.864 -7.575 1.00 0.00 H new ATOM 0 HG21 ILE A 420 0.585 -3.844 -9.000 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -0.700 -4.619 -8.043 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -0.986 -3.033 -8.798 1.00 0.00 H new ATOM 0 HD11 ILE A 420 2.532 -0.378 -6.665 1.00 0.00 H new ATOM 0 HD12 ILE A 420 1.518 -1.157 -5.428 1.00 0.00 H new ATOM 0 HD13 ILE A 420 2.755 -2.103 -6.288 1.00 0.00 H new ATOM 202 N CYS A 421 0.200 -3.924 -4.253 1.00 0.00 N ATOM 203 CA CYS A 421 0.359 -4.950 -3.154 1.00 0.00 C ATOM 204 C CYS A 421 1.740 -4.759 -2.479 1.00 0.00 C ATOM 205 O CYS A 421 2.758 -5.176 -3.017 1.00 0.00 O ATOM 206 CB CYS A 421 0.263 -6.372 -3.740 1.00 0.00 C ATOM 207 SG CYS A 421 -0.002 -7.561 -2.400 1.00 0.00 S ATOM 0 H CYS A 421 1.013 -3.320 -4.373 1.00 0.00 H new ATOM 0 HA CYS A 421 -0.434 -4.818 -2.418 1.00 0.00 H new ATOM 0 HB2 CYS A 421 -0.557 -6.427 -4.457 1.00 0.00 H new ATOM 0 HB3 CYS A 421 1.177 -6.616 -4.282 1.00 0.00 H new ATOM 212 N THR A 422 1.761 -4.117 -1.310 1.00 0.00 N ATOM 213 CA THR A 422 3.045 -3.843 -0.537 1.00 0.00 C ATOM 214 C THR A 422 3.892 -2.785 -1.282 1.00 0.00 C ATOM 215 O THR A 422 4.297 -2.987 -2.419 1.00 0.00 O ATOM 216 CB THR A 422 3.878 -5.130 -0.319 1.00 0.00 C ATOM 217 OG1 THR A 422 3.031 -6.200 0.095 1.00 0.00 O ATOM 218 CG2 THR A 422 4.925 -4.876 0.766 1.00 0.00 C ATOM 0 H THR A 422 0.921 -3.764 -0.851 1.00 0.00 H new ATOM 0 HA THR A 422 2.764 -3.464 0.446 1.00 0.00 H new ATOM 0 HB THR A 422 4.366 -5.399 -1.256 1.00 0.00 H new ATOM 0 HG1 THR A 422 3.568 -7.009 0.228 1.00 0.00 H new ATOM 0 HG21 THR A 422 5.514 -5.780 0.922 1.00 0.00 H new ATOM 0 HG22 THR A 422 5.582 -4.064 0.454 1.00 0.00 H new ATOM 0 HG23 THR A 422 4.426 -4.602 1.696 1.00 0.00 H new ATOM 226 N ASP A 423 4.135 -1.652 -0.635 1.00 0.00 N ATOM 227 CA ASP A 423 4.925 -0.538 -1.268 1.00 0.00 C ATOM 228 C ASP A 423 5.726 0.250 -0.209 1.00 0.00 C ATOM 229 O ASP A 423 6.929 0.422 -0.345 1.00 0.00 O ATOM 230 CB ASP A 423 3.950 0.427 -1.971 1.00 0.00 C ATOM 231 CG ASP A 423 3.316 -0.226 -3.210 1.00 0.00 C ATOM 232 OD1 ASP A 423 3.929 -0.171 -4.260 1.00 0.00 O ATOM 233 OD2 ASP A 423 2.216 -0.752 -3.089 1.00 0.00 O ATOM 0 H ASP A 423 3.814 -1.456 0.313 1.00 0.00 H new ATOM 0 HA ASP A 423 5.625 -0.973 -1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 423 3.167 0.728 -1.275 1.00 0.00 H new ATOM 0 HB3 ASP A 423 4.480 1.333 -2.265 1.00 0.00 H new ATOM 238 N ILE A 424 5.052 0.754 0.817 1.00 0.00 N ATOM 239 CA ILE A 424 5.735 1.578 1.892 1.00 0.00 C ATOM 240 C ILE A 424 6.437 0.690 2.949 1.00 0.00 C ATOM 241 O ILE A 424 7.438 1.104 3.519 1.00 0.00 O ATOM 242 CB ILE A 424 4.711 2.526 2.566 1.00 0.00 C ATOM 243 CG1 ILE A 424 3.525 1.735 3.157 1.00 0.00 C ATOM 244 CG2 ILE A 424 4.185 3.516 1.519 1.00 0.00 C ATOM 245 CD1 ILE A 424 2.962 2.475 4.373 1.00 0.00 C ATOM 0 H ILE A 424 4.049 0.628 0.956 1.00 0.00 H new ATOM 0 HA ILE A 424 6.511 2.173 1.410 1.00 0.00 H new ATOM 0 HB ILE A 424 5.209 3.055 3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 424 2.747 1.611 2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 424 3.851 0.736 3.447 1.00 0.00 H new ATOM 0 HG21 ILE A 424 3.463 4.188 1.984 1.00 0.00 H new ATOM 0 HG22 ILE A 424 5.016 4.097 1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 424 3.702 2.968 0.710 1.00 0.00 H new ATOM 0 HD11 ILE A 424 2.125 1.912 4.786 1.00 0.00 H new ATOM 0 HD12 ILE A 424 3.740 2.576 5.130 1.00 0.00 H new ATOM 0 HD13 ILE A 424 2.620 3.465 4.070 1.00 0.00 H new ATOM 257 N ASP A 425 5.935 -0.515 3.196 1.00 0.00 N ATOM 258 CA ASP A 425 6.565 -1.442 4.196 1.00 0.00 C ATOM 259 C ASP A 425 7.283 -2.579 3.430 1.00 0.00 C ATOM 260 O ASP A 425 6.836 -3.726 3.403 1.00 0.00 O ATOM 261 CB ASP A 425 5.476 -1.989 5.145 1.00 0.00 C ATOM 262 CG ASP A 425 5.091 -0.919 6.179 1.00 0.00 C ATOM 263 OD1 ASP A 425 4.204 -0.131 5.891 1.00 0.00 O ATOM 264 OD2 ASP A 425 5.687 -0.909 7.244 1.00 0.00 O ATOM 0 H ASP A 425 5.106 -0.891 2.737 1.00 0.00 H new ATOM 0 HA ASP A 425 7.301 -0.917 4.805 1.00 0.00 H new ATOM 0 HB2 ASP A 425 4.597 -2.284 4.571 1.00 0.00 H new ATOM 0 HB3 ASP A 425 5.840 -2.882 5.653 1.00 0.00 H new ATOM 269 N GLU A 426 8.388 -2.236 2.785 1.00 0.00 N ATOM 270 CA GLU A 426 9.185 -3.235 1.977 1.00 0.00 C ATOM 271 C GLU A 426 10.628 -3.209 2.390 1.00 0.00 C ATOM 272 O GLU A 426 11.500 -2.947 1.563 1.00 0.00 O ATOM 273 CB GLU A 426 9.052 -2.902 0.476 1.00 0.00 C ATOM 274 CG GLU A 426 7.566 -2.897 0.071 1.00 0.00 C ATOM 275 CD GLU A 426 7.402 -3.290 -1.404 1.00 0.00 C ATOM 276 OE1 GLU A 426 7.565 -2.428 -2.252 1.00 0.00 O ATOM 277 OE2 GLU A 426 7.103 -4.447 -1.659 1.00 0.00 O ATOM 278 OXT GLU A 426 10.965 -3.471 3.654 1.00 0.00 O ATOM 0 H GLU A 426 8.775 -1.292 2.785 1.00 0.00 H new ATOM 0 HA GLU A 426 8.795 -4.236 2.160 1.00 0.00 H new ATOM 0 HB2 GLU A 426 9.498 -1.929 0.269 1.00 0.00 H new ATOM 0 HB3 GLU A 426 9.598 -3.635 -0.118 1.00 0.00 H new ATOM 0 HG2 GLU A 426 7.010 -3.591 0.701 1.00 0.00 H new ATOM 0 HG3 GLU A 426 7.142 -1.907 0.238 1.00 0.00 H new TER 286 GLU A 426