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 42:sc= 1.42 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 407 -5.076 -7.429 -3.990 1.00 0.00 N ATOM 2 CA CYS A 407 -4.131 -6.868 -3.014 1.00 0.00 C ATOM 3 C CYS A 407 -4.506 -5.402 -2.701 1.00 0.00 C ATOM 4 O CYS A 407 -4.380 -4.521 -3.548 1.00 0.00 O ATOM 5 CB CYS A 407 -2.710 -6.926 -3.584 1.00 0.00 C ATOM 6 SG CYS A 407 -1.838 -8.379 -2.953 1.00 0.00 S ATOM 0 HA CYS A 407 -4.177 -7.452 -2.095 1.00 0.00 H new ATOM 0 HB2 CYS A 407 -2.749 -6.962 -4.673 1.00 0.00 H new ATOM 0 HB3 CYS A 407 -2.166 -6.021 -3.314 1.00 0.00 H new ATOM 12 N GLU A 408 -4.973 -5.152 -1.486 1.00 0.00 N ATOM 13 CA GLU A 408 -5.384 -3.763 -1.062 1.00 0.00 C ATOM 14 C GLU A 408 -4.517 -3.267 0.116 1.00 0.00 C ATOM 15 O GLU A 408 -3.908 -4.056 0.835 1.00 0.00 O ATOM 16 CB GLU A 408 -6.849 -3.790 -0.627 1.00 0.00 C ATOM 17 CG GLU A 408 -7.771 -3.856 -1.862 1.00 0.00 C ATOM 18 CD GLU A 408 -8.209 -5.309 -2.131 1.00 0.00 C ATOM 19 OE1 GLU A 408 -9.151 -5.755 -1.496 1.00 0.00 O ATOM 20 OE2 GLU A 408 -7.597 -5.948 -2.975 1.00 0.00 O ATOM 0 H GLU A 408 -5.087 -5.863 -0.763 1.00 0.00 H new ATOM 0 HA GLU A 408 -5.247 -3.085 -1.904 1.00 0.00 H new ATOM 0 HB2 GLU A 408 -7.029 -4.651 0.016 1.00 0.00 H new ATOM 0 HB3 GLU A 408 -7.078 -2.900 -0.040 1.00 0.00 H new ATOM 0 HG2 GLU A 408 -8.648 -3.229 -1.702 1.00 0.00 H new ATOM 0 HG3 GLU A 408 -7.250 -3.460 -2.734 1.00 0.00 H new ATOM 27 N ALA A 409 -4.466 -1.955 0.305 1.00 0.00 N ATOM 28 CA ALA A 409 -3.652 -1.353 1.417 1.00 0.00 C ATOM 29 C ALA A 409 -4.469 -1.386 2.743 1.00 0.00 C ATOM 30 O ALA A 409 -5.548 -0.810 2.808 1.00 0.00 O ATOM 31 CB ALA A 409 -3.272 0.091 1.047 1.00 0.00 C ATOM 0 H ALA A 409 -4.961 -1.275 -0.273 1.00 0.00 H new ATOM 0 HA ALA A 409 -2.739 -1.930 1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 409 -2.682 0.529 1.852 1.00 0.00 H new ATOM 0 HB2 ALA A 409 -2.687 0.089 0.127 1.00 0.00 H new ATOM 0 HB3 ALA A 409 -4.178 0.679 0.899 1.00 0.00 H new ATOM 37 N PRO A 410 -3.929 -2.073 3.761 1.00 0.00 N ATOM 38 CA PRO A 410 -4.588 -2.210 5.102 1.00 0.00 C ATOM 39 C PRO A 410 -4.584 -0.891 5.921 1.00 0.00 C ATOM 40 O PRO A 410 -4.153 0.153 5.448 1.00 0.00 O ATOM 41 CB PRO A 410 -3.760 -3.306 5.795 1.00 0.00 C ATOM 42 CG PRO A 410 -2.388 -3.341 5.084 1.00 0.00 C ATOM 43 CD PRO A 410 -2.617 -2.771 3.676 1.00 0.00 C ATOM 0 HA PRO A 410 -5.646 -2.457 5.011 1.00 0.00 H new ATOM 0 HB2 PRO A 410 -3.641 -3.088 6.856 1.00 0.00 H new ATOM 0 HB3 PRO A 410 -4.259 -4.272 5.722 1.00 0.00 H new ATOM 0 HG2 PRO A 410 -1.653 -2.748 5.628 1.00 0.00 H new ATOM 0 HG3 PRO A 410 -2.002 -4.359 5.033 1.00 0.00 H new ATOM 0 HD2 PRO A 410 -1.820 -2.083 3.392 1.00 0.00 H new ATOM 0 HD3 PRO A 410 -2.637 -3.562 2.927 1.00 0.00 H new ATOM 51 N GLU A 411 -5.088 -0.958 7.152 1.00 0.00 N ATOM 52 CA GLU A 411 -5.163 0.247 8.068 1.00 0.00 C ATOM 53 C GLU A 411 -3.764 0.869 8.253 1.00 0.00 C ATOM 54 O GLU A 411 -2.807 0.180 8.595 1.00 0.00 O ATOM 55 CB GLU A 411 -5.721 -0.179 9.429 1.00 0.00 C ATOM 56 CG GLU A 411 -7.214 -0.542 9.292 1.00 0.00 C ATOM 57 CD GLU A 411 -7.400 -2.066 9.386 1.00 0.00 C ATOM 58 OE1 GLU A 411 -7.281 -2.726 8.362 1.00 0.00 O ATOM 59 OE2 GLU A 411 -7.660 -2.548 10.478 1.00 0.00 O ATOM 0 H GLU A 411 -5.456 -1.816 7.564 1.00 0.00 H new ATOM 0 HA GLU A 411 -5.821 0.991 7.619 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -5.163 -1.035 9.809 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -5.598 0.628 10.151 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -7.789 -0.049 10.076 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -7.598 -0.179 8.339 1.00 0.00 H new ATOM 66 N GLY A 412 -3.640 2.164 7.976 1.00 0.00 N ATOM 67 CA GLY A 412 -2.306 2.866 8.070 1.00 0.00 C ATOM 68 C GLY A 412 -1.646 2.884 6.674 1.00 0.00 C ATOM 69 O GLY A 412 -1.031 3.866 6.288 1.00 0.00 O ATOM 0 H GLY A 412 -4.414 2.763 7.688 1.00 0.00 H new ATOM 0 HA2 GLY A 412 -2.442 3.884 8.435 1.00 0.00 H new ATOM 0 HA3 GLY A 412 -1.661 2.354 8.784 1.00 0.00 H new ATOM 73 N TYR A 413 -1.800 1.798 5.923 1.00 0.00 N ATOM 74 CA TYR A 413 -1.237 1.678 4.538 1.00 0.00 C ATOM 75 C TYR A 413 -2.039 2.571 3.568 1.00 0.00 C ATOM 76 O TYR A 413 -3.266 2.598 3.609 1.00 0.00 O ATOM 77 CB TYR A 413 -1.376 0.227 4.077 1.00 0.00 C ATOM 78 CG TYR A 413 -0.066 -0.292 3.561 1.00 0.00 C ATOM 79 CD1 TYR A 413 0.827 -0.890 4.444 1.00 0.00 C ATOM 80 CD2 TYR A 413 0.236 -0.208 2.202 1.00 0.00 C ATOM 81 CE1 TYR A 413 2.030 -1.409 3.971 1.00 0.00 C ATOM 82 CE2 TYR A 413 1.439 -0.718 1.725 1.00 0.00 C ATOM 83 CZ TYR A 413 2.340 -1.324 2.608 1.00 0.00 C ATOM 84 OH TYR A 413 3.530 -1.833 2.130 1.00 0.00 O ATOM 0 H TYR A 413 -2.310 0.971 6.233 1.00 0.00 H new ATOM 0 HA TYR A 413 -0.191 1.986 4.545 1.00 0.00 H new ATOM 0 HB2 TYR A 413 -1.717 -0.392 4.906 1.00 0.00 H new ATOM 0 HB3 TYR A 413 -2.133 0.159 3.296 1.00 0.00 H new ATOM 0 HD1 TYR A 413 0.588 -0.952 5.495 1.00 0.00 H new ATOM 0 HD2 TYR A 413 -0.464 0.253 1.520 1.00 0.00 H new ATOM 0 HE1 TYR A 413 2.723 -1.877 4.655 1.00 0.00 H new ATOM 0 HE2 TYR A 413 1.678 -0.646 0.674 1.00 0.00 H new ATOM 0 HH TYR A 413 3.711 -2.697 2.556 1.00 0.00 H new ATOM 94 N ILE A 414 -1.349 3.279 2.692 1.00 0.00 N ATOM 95 CA ILE A 414 -2.041 4.175 1.688 1.00 0.00 C ATOM 96 C ILE A 414 -1.035 4.683 0.626 1.00 0.00 C ATOM 97 O ILE A 414 -0.221 5.562 0.892 1.00 0.00 O ATOM 98 CB ILE A 414 -2.751 5.366 2.421 1.00 0.00 C ATOM 99 CG1 ILE A 414 -3.229 6.439 1.417 1.00 0.00 C ATOM 100 CG2 ILE A 414 -1.807 6.032 3.436 1.00 0.00 C ATOM 101 CD1 ILE A 414 -4.254 5.849 0.443 1.00 0.00 C ATOM 0 H ILE A 414 -0.331 3.276 2.628 1.00 0.00 H new ATOM 0 HA ILE A 414 -2.805 3.597 1.168 1.00 0.00 H new ATOM 0 HB ILE A 414 -3.613 4.947 2.941 1.00 0.00 H new ATOM 0 HG12 ILE A 414 -3.672 7.277 1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 414 -2.376 6.831 0.863 1.00 0.00 H new ATOM 0 HG21 ILE A 414 -2.325 6.854 3.929 1.00 0.00 H new ATOM 0 HG22 ILE A 414 -1.498 5.299 4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 414 -0.928 6.416 2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 414 -4.578 6.620 -0.256 1.00 0.00 H new ATOM 0 HD12 ILE A 414 -3.799 5.027 -0.110 1.00 0.00 H new ATOM 0 HD13 ILE A 414 -5.115 5.479 1.000 1.00 0.00 H new ATOM 113 N LEU A 415 -1.102 4.127 -0.581 1.00 0.00 N ATOM 114 CA LEU A 415 -0.180 4.569 -1.685 1.00 0.00 C ATOM 115 C LEU A 415 -0.940 5.505 -2.644 1.00 0.00 C ATOM 116 O LEU A 415 -1.820 5.078 -3.394 1.00 0.00 O ATOM 117 CB LEU A 415 0.353 3.364 -2.471 1.00 0.00 C ATOM 118 CG LEU A 415 1.599 2.750 -1.800 1.00 0.00 C ATOM 119 CD1 LEU A 415 2.755 3.757 -1.811 1.00 0.00 C ATOM 120 CD2 LEU A 415 1.295 2.335 -0.350 1.00 0.00 C ATOM 0 H LEU A 415 -1.757 3.389 -0.840 1.00 0.00 H new ATOM 0 HA LEU A 415 0.664 5.094 -1.238 1.00 0.00 H new ATOM 0 HB2 LEU A 415 -0.428 2.607 -2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 415 0.602 3.673 -3.486 1.00 0.00 H new ATOM 0 HG LEU A 415 1.883 1.863 -2.366 1.00 0.00 H new ATOM 0 HD11 LEU A 415 3.629 3.313 -1.335 1.00 0.00 H new ATOM 0 HD12 LEU A 415 2.998 4.021 -2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 415 2.461 4.654 -1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 415 2.190 1.905 0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 415 0.985 3.210 0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 415 0.494 1.596 -0.343 1.00 0.00 H new ATOM 132 N ASP A 416 -0.573 6.771 -2.629 1.00 0.00 N ATOM 133 CA ASP A 416 -1.213 7.807 -3.531 1.00 0.00 C ATOM 134 C ASP A 416 -0.934 7.486 -5.024 1.00 0.00 C ATOM 135 O ASP A 416 -1.711 7.868 -5.889 1.00 0.00 O ATOM 136 CB ASP A 416 -0.671 9.213 -3.175 1.00 0.00 C ATOM 137 CG ASP A 416 0.867 9.263 -3.291 1.00 0.00 C ATOM 138 OD1 ASP A 416 1.527 8.958 -2.309 1.00 0.00 O ATOM 139 OD2 ASP A 416 1.354 9.608 -4.356 1.00 0.00 O ATOM 0 H ASP A 416 0.156 7.141 -2.020 1.00 0.00 H new ATOM 0 HA ASP A 416 -2.292 7.787 -3.376 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -1.113 9.955 -3.840 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -0.971 9.475 -2.160 1.00 0.00 H new ATOM 144 N ASP A 417 0.159 6.778 -5.310 1.00 0.00 N ATOM 145 CA ASP A 417 0.527 6.392 -6.725 1.00 0.00 C ATOM 146 C ASP A 417 -0.584 5.529 -7.377 1.00 0.00 C ATOM 147 O ASP A 417 -0.726 5.531 -8.594 1.00 0.00 O ATOM 148 CB ASP A 417 1.844 5.577 -6.718 1.00 0.00 C ATOM 149 CG ASP A 417 2.940 6.300 -5.912 1.00 0.00 C ATOM 150 OD1 ASP A 417 3.657 7.094 -6.499 1.00 0.00 O ATOM 151 OD2 ASP A 417 3.043 6.035 -4.721 1.00 0.00 O ATOM 0 H ASP A 417 0.818 6.449 -4.605 1.00 0.00 H new ATOM 0 HA ASP A 417 0.648 7.309 -7.301 1.00 0.00 H new ATOM 0 HB2 ASP A 417 1.663 4.592 -6.289 1.00 0.00 H new ATOM 0 HB3 ASP A 417 2.184 5.421 -7.742 1.00 0.00 H new ATOM 156 N GLY A 418 -1.358 4.790 -6.579 1.00 0.00 N ATOM 157 CA GLY A 418 -2.456 3.912 -7.135 1.00 0.00 C ATOM 158 C GLY A 418 -2.537 2.584 -6.356 1.00 0.00 C ATOM 159 O GLY A 418 -3.613 2.024 -6.223 1.00 0.00 O ATOM 0 H GLY A 418 -1.269 4.763 -5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -3.411 4.434 -7.075 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -2.269 3.710 -8.190 1.00 0.00 H new ATOM 163 N PHE A 419 -1.401 2.090 -5.843 1.00 0.00 N ATOM 164 CA PHE A 419 -1.337 0.804 -5.054 1.00 0.00 C ATOM 165 C PHE A 419 -1.452 -0.448 -5.945 1.00 0.00 C ATOM 166 O PHE A 419 -2.108 -0.453 -6.980 1.00 0.00 O ATOM 167 CB PHE A 419 -2.426 0.758 -3.964 1.00 0.00 C ATOM 168 CG PHE A 419 -2.021 -0.264 -2.936 1.00 0.00 C ATOM 169 CD1 PHE A 419 -0.916 -0.016 -2.131 1.00 0.00 C ATOM 170 CD2 PHE A 419 -2.723 -1.468 -2.814 1.00 0.00 C ATOM 171 CE1 PHE A 419 -0.507 -0.953 -1.198 1.00 0.00 C ATOM 172 CE2 PHE A 419 -2.311 -2.419 -1.878 1.00 0.00 C ATOM 173 CZ PHE A 419 -1.202 -2.161 -1.065 1.00 0.00 C ATOM 0 H PHE A 419 -0.496 2.549 -5.950 1.00 0.00 H new ATOM 0 HA PHE A 419 -0.354 0.793 -4.584 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -2.541 1.738 -3.501 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -3.390 0.496 -4.401 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -0.374 0.912 -2.234 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -3.581 -1.661 -3.441 1.00 0.00 H new ATOM 0 HE1 PHE A 419 0.350 -0.752 -0.572 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -2.847 -3.352 -1.782 1.00 0.00 H new ATOM 0 HZ PHE A 419 -0.883 -2.892 -0.337 1.00 0.00 H new ATOM 183 N ILE A 420 -0.797 -1.516 -5.507 1.00 0.00 N ATOM 184 CA ILE A 420 -0.804 -2.828 -6.244 1.00 0.00 C ATOM 185 C ILE A 420 -0.809 -3.972 -5.213 1.00 0.00 C ATOM 186 O ILE A 420 -1.723 -4.772 -5.190 1.00 0.00 O ATOM 187 CB ILE A 420 0.446 -2.992 -7.159 1.00 0.00 C ATOM 188 CG1 ILE A 420 1.130 -1.647 -7.473 1.00 0.00 C ATOM 189 CG2 ILE A 420 0.025 -3.653 -8.471 1.00 0.00 C ATOM 190 CD1 ILE A 420 2.075 -1.278 -6.323 1.00 0.00 C ATOM 0 H ILE A 420 -0.247 -1.526 -4.648 1.00 0.00 H new ATOM 0 HA ILE A 420 -1.692 -2.854 -6.876 1.00 0.00 H new ATOM 0 HB ILE A 420 1.165 -3.610 -6.621 1.00 0.00 H new ATOM 0 HG12 ILE A 420 1.687 -1.718 -8.408 1.00 0.00 H new ATOM 0 HG13 ILE A 420 0.380 -0.867 -7.607 1.00 0.00 H new ATOM 0 HG21 ILE A 420 0.896 -3.770 -9.115 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -0.407 -4.632 -8.263 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -0.715 -3.029 -8.972 1.00 0.00 H new ATOM 0 HD11 ILE A 420 2.561 -0.327 -6.542 1.00 0.00 H new ATOM 0 HD12 ILE A 420 1.505 -1.190 -5.398 1.00 0.00 H new ATOM 0 HD13 ILE A 420 2.832 -2.054 -6.211 1.00 0.00 H new ATOM 202 N CYS A 421 0.222 -4.025 -4.366 1.00 0.00 N ATOM 203 CA CYS A 421 0.365 -5.089 -3.297 1.00 0.00 C ATOM 204 C CYS A 421 1.701 -4.860 -2.542 1.00 0.00 C ATOM 205 O CYS A 421 2.757 -5.286 -2.996 1.00 0.00 O ATOM 206 CB CYS A 421 0.362 -6.499 -3.927 1.00 0.00 C ATOM 207 SG CYS A 421 0.056 -7.737 -2.634 1.00 0.00 S ATOM 0 H CYS A 421 0.988 -3.352 -4.378 1.00 0.00 H new ATOM 0 HA CYS A 421 -0.476 -5.020 -2.607 1.00 0.00 H new ATOM 0 HB2 CYS A 421 -0.407 -6.564 -4.697 1.00 0.00 H new ATOM 0 HB3 CYS A 421 1.318 -6.694 -4.414 1.00 0.00 H new ATOM 212 N THR A 422 1.641 -4.170 -1.402 1.00 0.00 N ATOM 213 CA THR A 422 2.868 -3.847 -0.558 1.00 0.00 C ATOM 214 C THR A 422 3.752 -2.807 -1.283 1.00 0.00 C ATOM 215 O THR A 422 4.178 -3.015 -2.414 1.00 0.00 O ATOM 216 CB THR A 422 3.697 -5.114 -0.230 1.00 0.00 C ATOM 217 OG1 THR A 422 2.833 -6.178 0.161 1.00 0.00 O ATOM 218 CG2 THR A 422 4.655 -4.806 0.921 1.00 0.00 C ATOM 0 H THR A 422 0.770 -3.809 -1.013 1.00 0.00 H new ATOM 0 HA THR A 422 2.517 -3.432 0.386 1.00 0.00 H new ATOM 0 HB THR A 422 4.257 -5.411 -1.117 1.00 0.00 H new ATOM 0 HG1 THR A 422 3.366 -6.975 0.364 1.00 0.00 H new ATOM 0 HG21 THR A 422 5.240 -5.695 1.155 1.00 0.00 H new ATOM 0 HG22 THR A 422 5.325 -3.997 0.630 1.00 0.00 H new ATOM 0 HG23 THR A 422 4.084 -4.506 1.800 1.00 0.00 H new ATOM 226 N ASP A 423 4.007 -1.680 -0.630 1.00 0.00 N ATOM 227 CA ASP A 423 4.834 -0.583 -1.242 1.00 0.00 C ATOM 228 C ASP A 423 5.673 0.140 -0.171 1.00 0.00 C ATOM 229 O ASP A 423 6.893 0.165 -0.251 1.00 0.00 O ATOM 230 CB ASP A 423 3.892 0.434 -1.914 1.00 0.00 C ATOM 231 CG ASP A 423 3.258 -0.156 -3.182 1.00 0.00 C ATOM 232 OD1 ASP A 423 3.877 -0.054 -4.226 1.00 0.00 O ATOM 233 OD2 ASP A 423 2.155 -0.682 -3.087 1.00 0.00 O ATOM 0 H ASP A 423 3.670 -1.479 0.311 1.00 0.00 H new ATOM 0 HA ASP A 423 5.512 -1.023 -1.974 1.00 0.00 H new ATOM 0 HB2 ASP A 423 3.109 0.727 -1.214 1.00 0.00 H new ATOM 0 HB3 ASP A 423 4.447 1.337 -2.167 1.00 0.00 H new ATOM 238 N ILE A 424 5.015 0.744 0.812 1.00 0.00 N ATOM 239 CA ILE A 424 5.738 1.506 1.902 1.00 0.00 C ATOM 240 C ILE A 424 6.470 0.542 2.865 1.00 0.00 C ATOM 241 O ILE A 424 7.534 0.874 3.367 1.00 0.00 O ATOM 242 CB ILE A 424 4.748 2.424 2.659 1.00 0.00 C ATOM 243 CG1 ILE A 424 3.599 1.611 3.289 1.00 0.00 C ATOM 244 CG2 ILE A 424 4.160 3.437 1.667 1.00 0.00 C ATOM 245 CD1 ILE A 424 3.112 2.303 4.564 1.00 0.00 C ATOM 0 H ILE A 424 3.999 0.740 0.904 1.00 0.00 H new ATOM 0 HA ILE A 424 6.498 2.136 1.440 1.00 0.00 H new ATOM 0 HB ILE A 424 5.286 2.931 3.460 1.00 0.00 H new ATOM 0 HG12 ILE A 424 2.777 1.516 2.579 1.00 0.00 H new ATOM 0 HG13 ILE A 424 3.939 0.602 3.520 1.00 0.00 H new ATOM 0 HG21 ILE A 424 3.460 4.091 2.187 1.00 0.00 H new ATOM 0 HG22 ILE A 424 4.964 4.034 1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 424 3.638 2.906 0.871 1.00 0.00 H new ATOM 0 HD11 ILE A 424 2.300 1.724 5.005 1.00 0.00 H new ATOM 0 HD12 ILE A 424 3.934 2.375 5.276 1.00 0.00 H new ATOM 0 HD13 ILE A 424 2.754 3.303 4.321 1.00 0.00 H new ATOM 257 N ASP A 425 5.927 -0.650 3.085 1.00 0.00 N ATOM 258 CA ASP A 425 6.584 -1.668 3.970 1.00 0.00 C ATOM 259 C ASP A 425 7.213 -2.756 3.059 1.00 0.00 C ATOM 260 O ASP A 425 6.834 -3.925 3.090 1.00 0.00 O ATOM 261 CB ASP A 425 5.529 -2.260 4.938 1.00 0.00 C ATOM 262 CG ASP A 425 5.228 -1.260 6.066 1.00 0.00 C ATOM 263 OD1 ASP A 425 4.379 -0.406 5.868 1.00 0.00 O ATOM 264 OD2 ASP A 425 5.846 -1.371 7.112 1.00 0.00 O ATOM 0 H ASP A 425 5.043 -0.955 2.678 1.00 0.00 H new ATOM 0 HA ASP A 425 7.371 -1.222 4.579 1.00 0.00 H new ATOM 0 HB2 ASP A 425 4.614 -2.492 4.393 1.00 0.00 H new ATOM 0 HB3 ASP A 425 5.895 -3.196 5.359 1.00 0.00 H new ATOM 269 N GLU A 426 8.169 -2.336 2.228 1.00 0.00 N ATOM 270 CA GLU A 426 8.881 -3.250 1.256 1.00 0.00 C ATOM 271 C GLU A 426 7.899 -3.845 0.290 1.00 0.00 C ATOM 272 O GLU A 426 7.796 -5.067 0.191 1.00 0.00 O ATOM 273 CB GLU A 426 9.687 -4.318 2.052 1.00 0.00 C ATOM 274 CG GLU A 426 10.943 -3.675 2.679 1.00 0.00 C ATOM 275 CD GLU A 426 10.628 -3.127 4.084 1.00 0.00 C ATOM 276 OE1 GLU A 426 10.620 -3.910 5.023 1.00 0.00 O ATOM 277 OE2 GLU A 426 10.412 -1.929 4.201 1.00 0.00 O ATOM 278 OXT GLU A 426 7.137 -3.049 -0.462 1.00 0.00 O ATOM 0 H GLU A 426 8.488 -1.368 2.189 1.00 0.00 H new ATOM 0 HA GLU A 426 9.596 -2.687 0.656 1.00 0.00 H new ATOM 0 HB2 GLU A 426 9.061 -4.750 2.833 1.00 0.00 H new ATOM 0 HB3 GLU A 426 9.978 -5.133 1.390 1.00 0.00 H new ATOM 0 HG2 GLU A 426 11.743 -4.413 2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 426 11.302 -2.868 2.040 1.00 0.00 H new TER 286 GLU A 426