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 -140:sc= 1.07 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 407 -5.127 -7.145 -3.742 1.00 0.00 N ATOM 2 CA CYS A 407 -4.320 -7.064 -2.516 1.00 0.00 C ATOM 3 C CYS A 407 -4.861 -5.954 -1.597 1.00 0.00 C ATOM 4 O CYS A 407 -5.200 -6.220 -0.456 1.00 0.00 O ATOM 5 CB CYS A 407 -2.860 -6.770 -2.885 1.00 0.00 C ATOM 6 SG CYS A 407 -1.828 -8.201 -2.479 1.00 0.00 S ATOM 0 HA CYS A 407 -4.377 -8.015 -1.987 1.00 0.00 H new ATOM 0 HB2 CYS A 407 -2.782 -6.543 -3.948 1.00 0.00 H new ATOM 0 HB3 CYS A 407 -2.508 -5.891 -2.345 1.00 0.00 H new ATOM 12 N GLU A 408 -4.951 -4.724 -2.114 1.00 0.00 N ATOM 13 CA GLU A 408 -5.484 -3.531 -1.345 1.00 0.00 C ATOM 14 C GLU A 408 -4.566 -3.138 -0.162 1.00 0.00 C ATOM 15 O GLU A 408 -3.868 -3.967 0.418 1.00 0.00 O ATOM 16 CB GLU A 408 -6.899 -3.824 -0.832 1.00 0.00 C ATOM 17 CG GLU A 408 -7.929 -3.693 -1.977 1.00 0.00 C ATOM 18 CD GLU A 408 -7.790 -4.856 -2.980 1.00 0.00 C ATOM 19 OE1 GLU A 408 -8.201 -5.960 -2.654 1.00 0.00 O ATOM 20 OE2 GLU A 408 -7.269 -4.622 -4.060 1.00 0.00 O ATOM 0 H GLU A 408 -4.666 -4.500 -3.067 1.00 0.00 H new ATOM 0 HA GLU A 408 -5.509 -2.687 -2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 408 -6.939 -4.829 -0.412 1.00 0.00 H new ATOM 0 HB3 GLU A 408 -7.151 -3.133 -0.028 1.00 0.00 H new ATOM 0 HG2 GLU A 408 -8.938 -3.682 -1.564 1.00 0.00 H new ATOM 0 HG3 GLU A 408 -7.786 -2.744 -2.493 1.00 0.00 H new ATOM 27 N ALA A 409 -4.564 -1.858 0.182 1.00 0.00 N ATOM 28 CA ALA A 409 -3.708 -1.347 1.308 1.00 0.00 C ATOM 29 C ALA A 409 -4.513 -1.383 2.639 1.00 0.00 C ATOM 30 O ALA A 409 -5.577 -0.781 2.723 1.00 0.00 O ATOM 31 CB ALA A 409 -3.246 0.084 0.982 1.00 0.00 C ATOM 0 H ALA A 409 -5.127 -1.143 -0.278 1.00 0.00 H new ATOM 0 HA ALA A 409 -2.829 -1.981 1.426 1.00 0.00 H new ATOM 0 HB1 ALA A 409 -2.625 0.460 1.795 1.00 0.00 H new ATOM 0 HB2 ALA A 409 -2.669 0.078 0.057 1.00 0.00 H new ATOM 0 HB3 ALA A 409 -4.116 0.729 0.862 1.00 0.00 H new ATOM 37 N PRO A 410 -3.983 -2.100 3.642 1.00 0.00 N ATOM 38 CA PRO A 410 -4.637 -2.244 4.984 1.00 0.00 C ATOM 39 C PRO A 410 -4.601 -0.939 5.824 1.00 0.00 C ATOM 40 O PRO A 410 -4.153 0.105 5.366 1.00 0.00 O ATOM 41 CB PRO A 410 -3.827 -3.368 5.655 1.00 0.00 C ATOM 42 CG PRO A 410 -2.462 -3.421 4.935 1.00 0.00 C ATOM 43 CD PRO A 410 -2.690 -2.830 3.535 1.00 0.00 C ATOM 0 HA PRO A 410 -5.700 -2.467 4.895 1.00 0.00 H new ATOM 0 HB2 PRO A 410 -3.696 -3.169 6.719 1.00 0.00 H new ATOM 0 HB3 PRO A 410 -4.346 -4.323 5.571 1.00 0.00 H new ATOM 0 HG2 PRO A 410 -1.712 -2.849 5.481 1.00 0.00 H new ATOM 0 HG3 PRO A 410 -2.096 -4.446 4.870 1.00 0.00 H new ATOM 0 HD2 PRO A 410 -1.879 -2.160 3.251 1.00 0.00 H new ATOM 0 HD3 PRO A 410 -2.738 -3.612 2.777 1.00 0.00 H new ATOM 51 N GLU A 411 -5.098 -1.016 7.057 1.00 0.00 N ATOM 52 CA GLU A 411 -5.146 0.175 7.994 1.00 0.00 C ATOM 53 C GLU A 411 -3.735 0.768 8.181 1.00 0.00 C ATOM 54 O GLU A 411 -2.790 0.055 8.508 1.00 0.00 O ATOM 55 CB GLU A 411 -5.705 -0.266 9.352 1.00 0.00 C ATOM 56 CG GLU A 411 -7.203 -0.603 9.216 1.00 0.00 C ATOM 57 CD GLU A 411 -7.411 -2.128 9.276 1.00 0.00 C ATOM 58 OE1 GLU A 411 -7.324 -2.762 8.233 1.00 0.00 O ATOM 59 OE2 GLU A 411 -7.655 -2.634 10.359 1.00 0.00 O ATOM 0 H GLU A 411 -5.479 -1.873 7.457 1.00 0.00 H new ATOM 0 HA GLU A 411 -5.792 0.939 7.562 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -5.159 -1.137 9.715 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -5.567 0.527 10.087 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -7.766 -0.120 10.014 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -7.587 -0.213 8.274 1.00 0.00 H new ATOM 66 N GLY A 412 -3.587 2.064 7.923 1.00 0.00 N ATOM 67 CA GLY A 412 -2.239 2.739 8.020 1.00 0.00 C ATOM 68 C GLY A 412 -1.581 2.758 6.623 1.00 0.00 C ATOM 69 O GLY A 412 -0.941 3.729 6.250 1.00 0.00 O ATOM 0 H GLY A 412 -4.350 2.682 7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 412 -2.354 3.756 8.395 1.00 0.00 H new ATOM 0 HA3 GLY A 412 -1.603 2.208 8.728 1.00 0.00 H new ATOM 73 N TYR A 413 -1.765 1.687 5.859 1.00 0.00 N ATOM 74 CA TYR A 413 -1.206 1.571 4.472 1.00 0.00 C ATOM 75 C TYR A 413 -1.994 2.481 3.508 1.00 0.00 C ATOM 76 O TYR A 413 -3.221 2.520 3.550 1.00 0.00 O ATOM 77 CB TYR A 413 -1.362 0.126 3.998 1.00 0.00 C ATOM 78 CG TYR A 413 -0.054 -0.394 3.483 1.00 0.00 C ATOM 79 CD1 TYR A 413 0.275 -0.258 2.136 1.00 0.00 C ATOM 80 CD2 TYR A 413 0.811 -1.037 4.356 1.00 0.00 C ATOM 81 CE1 TYR A 413 1.482 -0.764 1.662 1.00 0.00 C ATOM 82 CE2 TYR A 413 2.017 -1.550 3.889 1.00 0.00 C ATOM 83 CZ TYR A 413 2.358 -1.415 2.538 1.00 0.00 C ATOM 84 OH TYR A 413 3.558 -1.912 2.064 1.00 0.00 O ATOM 0 H TYR A 413 -2.297 0.870 6.158 1.00 0.00 H new ATOM 0 HA TYR A 413 -0.157 1.867 4.483 1.00 0.00 H new ATOM 0 HB2 TYR A 413 -1.711 -0.498 4.820 1.00 0.00 H new ATOM 0 HB3 TYR A 413 -2.117 0.072 3.214 1.00 0.00 H new ATOM 0 HD1 TYR A 413 -0.405 0.239 1.461 1.00 0.00 H new ATOM 0 HD2 TYR A 413 0.548 -1.139 5.399 1.00 0.00 H new ATOM 0 HE1 TYR A 413 1.742 -0.654 0.620 1.00 0.00 H new ATOM 0 HE2 TYR A 413 2.690 -2.052 4.568 1.00 0.00 H new ATOM 0 HH TYR A 413 3.739 -2.781 2.479 1.00 0.00 H new ATOM 94 N ILE A 414 -1.298 3.189 2.636 1.00 0.00 N ATOM 95 CA ILE A 414 -1.988 4.097 1.639 1.00 0.00 C ATOM 96 C ILE A 414 -0.991 4.631 0.585 1.00 0.00 C ATOM 97 O ILE A 414 -0.227 5.557 0.843 1.00 0.00 O ATOM 98 CB ILE A 414 -2.722 5.276 2.378 1.00 0.00 C ATOM 99 CG1 ILE A 414 -3.104 6.421 1.404 1.00 0.00 C ATOM 100 CG2 ILE A 414 -1.832 5.864 3.486 1.00 0.00 C ATOM 101 CD1 ILE A 414 -4.032 5.918 0.291 1.00 0.00 C ATOM 0 H ILE A 414 -0.280 3.179 2.570 1.00 0.00 H new ATOM 0 HA ILE A 414 -2.739 3.510 1.110 1.00 0.00 H new ATOM 0 HB ILE A 414 -3.631 4.854 2.807 1.00 0.00 H new ATOM 0 HG12 ILE A 414 -3.595 7.222 1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 414 -2.201 6.844 0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 414 -2.360 6.678 3.983 1.00 0.00 H new ATOM 0 HG22 ILE A 414 -1.595 5.087 4.213 1.00 0.00 H new ATOM 0 HG23 ILE A 414 -0.909 6.244 3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 414 -4.282 6.744 -0.375 1.00 0.00 H new ATOM 0 HD12 ILE A 414 -3.529 5.134 -0.275 1.00 0.00 H new ATOM 0 HD13 ILE A 414 -4.945 5.518 0.732 1.00 0.00 H new ATOM 113 N LEU A 415 -1.032 4.065 -0.616 1.00 0.00 N ATOM 114 CA LEU A 415 -0.149 4.556 -1.724 1.00 0.00 C ATOM 115 C LEU A 415 -1.003 5.443 -2.642 1.00 0.00 C ATOM 116 O LEU A 415 -1.820 4.959 -3.430 1.00 0.00 O ATOM 117 CB LEU A 415 0.433 3.400 -2.537 1.00 0.00 C ATOM 118 CG LEU A 415 1.718 2.836 -1.897 1.00 0.00 C ATOM 119 CD1 LEU A 415 2.822 3.900 -1.898 1.00 0.00 C ATOM 120 CD2 LEU A 415 1.453 2.375 -0.454 1.00 0.00 C ATOM 0 H LEU A 415 -1.641 3.286 -0.866 1.00 0.00 H new ATOM 0 HA LEU A 415 0.687 5.110 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 415 -0.309 2.606 -2.622 1.00 0.00 H new ATOM 0 HB3 LEU A 415 0.651 3.742 -3.549 1.00 0.00 H new ATOM 0 HG LEU A 415 2.040 1.978 -2.487 1.00 0.00 H new ATOM 0 HD11 LEU A 415 3.724 3.489 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 415 3.037 4.200 -2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 415 2.491 4.768 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 415 2.373 1.981 -0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 415 1.107 3.221 0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 415 0.691 1.596 -0.455 1.00 0.00 H new ATOM 132 N ASP A 416 -0.812 6.737 -2.528 1.00 0.00 N ATOM 133 CA ASP A 416 -1.582 7.738 -3.350 1.00 0.00 C ATOM 134 C ASP A 416 -1.241 7.605 -4.858 1.00 0.00 C ATOM 135 O ASP A 416 -2.024 8.024 -5.701 1.00 0.00 O ATOM 136 CB ASP A 416 -1.258 9.156 -2.846 1.00 0.00 C ATOM 137 CG ASP A 416 -1.655 9.296 -1.364 1.00 0.00 C ATOM 138 OD1 ASP A 416 -2.795 9.649 -1.104 1.00 0.00 O ATOM 139 OD2 ASP A 416 -0.812 9.047 -0.515 1.00 0.00 O ATOM 0 H ASP A 416 -0.139 7.155 -1.885 1.00 0.00 H new ATOM 0 HA ASP A 416 -2.649 7.544 -3.238 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.194 9.358 -2.966 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -1.792 9.894 -3.445 1.00 0.00 H new ATOM 144 N ASP A 417 -0.100 7.002 -5.191 1.00 0.00 N ATOM 145 CA ASP A 417 0.311 6.793 -6.631 1.00 0.00 C ATOM 146 C ASP A 417 -0.689 5.850 -7.352 1.00 0.00 C ATOM 147 O ASP A 417 -0.851 5.938 -8.563 1.00 0.00 O ATOM 148 CB ASP A 417 1.725 6.163 -6.691 1.00 0.00 C ATOM 149 CG ASP A 417 2.710 6.920 -5.780 1.00 0.00 C ATOM 150 OD1 ASP A 417 3.305 7.878 -6.245 1.00 0.00 O ATOM 151 OD2 ASP A 417 2.847 6.523 -4.630 1.00 0.00 O ATOM 0 H ASP A 417 0.569 6.643 -4.510 1.00 0.00 H new ATOM 0 HA ASP A 417 0.315 7.763 -7.128 1.00 0.00 H new ATOM 0 HB2 ASP A 417 1.674 5.118 -6.387 1.00 0.00 H new ATOM 0 HB3 ASP A 417 2.090 6.178 -7.718 1.00 0.00 H new ATOM 156 N GLY A 418 -1.351 4.952 -6.616 1.00 0.00 N ATOM 157 CA GLY A 418 -2.337 3.993 -7.238 1.00 0.00 C ATOM 158 C GLY A 418 -2.433 2.700 -6.405 1.00 0.00 C ATOM 159 O GLY A 418 -3.517 2.170 -6.224 1.00 0.00 O ATOM 0 H GLY A 418 -1.242 4.850 -5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -3.318 4.463 -7.304 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -2.028 3.755 -8.256 1.00 0.00 H new ATOM 163 N PHE A 419 -1.297 2.206 -5.901 1.00 0.00 N ATOM 164 CA PHE A 419 -1.236 0.954 -5.062 1.00 0.00 C ATOM 165 C PHE A 419 -1.477 -0.335 -5.877 1.00 0.00 C ATOM 166 O PHE A 419 -2.234 -0.370 -6.837 1.00 0.00 O ATOM 167 CB PHE A 419 -2.241 1.007 -3.893 1.00 0.00 C ATOM 168 CG PHE A 419 -1.858 -0.074 -2.913 1.00 0.00 C ATOM 169 CD1 PHE A 419 -0.696 0.073 -2.171 1.00 0.00 C ATOM 170 CD2 PHE A 419 -2.625 -1.238 -2.793 1.00 0.00 C ATOM 171 CE1 PHE A 419 -0.292 -0.922 -1.298 1.00 0.00 C ATOM 172 CE2 PHE A 419 -2.218 -2.249 -1.918 1.00 0.00 C ATOM 173 CZ PHE A 419 -1.049 -2.090 -1.165 1.00 0.00 C ATOM 0 H PHE A 419 -0.387 2.643 -6.049 1.00 0.00 H new ATOM 0 HA PHE A 419 -0.219 0.919 -4.671 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -2.218 1.985 -3.412 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -3.258 0.853 -4.255 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -0.103 0.969 -2.275 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -3.528 -1.355 -3.374 1.00 0.00 H new ATOM 0 HE1 PHE A 419 0.610 -0.796 -0.718 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -2.804 -3.151 -1.823 1.00 0.00 H new ATOM 0 HZ PHE A 419 -0.733 -2.866 -0.484 1.00 0.00 H new ATOM 183 N ILE A 420 -0.823 -1.400 -5.436 1.00 0.00 N ATOM 184 CA ILE A 420 -0.950 -2.753 -6.075 1.00 0.00 C ATOM 185 C ILE A 420 -0.909 -3.811 -4.953 1.00 0.00 C ATOM 186 O ILE A 420 -1.871 -4.532 -4.744 1.00 0.00 O ATOM 187 CB ILE A 420 0.206 -3.040 -7.081 1.00 0.00 C ATOM 188 CG1 ILE A 420 0.917 -1.753 -7.545 1.00 0.00 C ATOM 189 CG2 ILE A 420 -0.360 -3.760 -8.307 1.00 0.00 C ATOM 190 CD1 ILE A 420 1.987 -1.366 -6.517 1.00 0.00 C ATOM 0 H ILE A 420 -0.190 -1.379 -4.636 1.00 0.00 H new ATOM 0 HA ILE A 420 -1.886 -2.787 -6.632 1.00 0.00 H new ATOM 0 HB ILE A 420 0.940 -3.659 -6.565 1.00 0.00 H new ATOM 0 HG12 ILE A 420 1.374 -1.909 -8.522 1.00 0.00 H new ATOM 0 HG13 ILE A 420 0.194 -0.945 -7.657 1.00 0.00 H new ATOM 0 HG21 ILE A 420 0.445 -3.963 -9.014 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -0.817 -4.700 -7.998 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -1.111 -3.131 -8.784 1.00 0.00 H new ATOM 0 HD11 ILE A 420 2.492 -0.456 -6.842 1.00 0.00 H new ATOM 0 HD12 ILE A 420 1.516 -1.194 -5.549 1.00 0.00 H new ATOM 0 HD13 ILE A 420 2.715 -2.173 -6.428 1.00 0.00 H new ATOM 202 N CYS A 421 0.213 -3.881 -4.233 1.00 0.00 N ATOM 203 CA CYS A 421 0.405 -4.863 -3.100 1.00 0.00 C ATOM 204 C CYS A 421 1.827 -4.697 -2.513 1.00 0.00 C ATOM 205 O CYS A 421 2.805 -4.999 -3.185 1.00 0.00 O ATOM 206 CB CYS A 421 0.247 -6.307 -3.615 1.00 0.00 C ATOM 207 SG CYS A 421 0.020 -7.428 -2.211 1.00 0.00 S ATOM 0 H CYS A 421 1.020 -3.278 -4.395 1.00 0.00 H new ATOM 0 HA CYS A 421 -0.345 -4.667 -2.334 1.00 0.00 H new ATOM 0 HB2 CYS A 421 -0.608 -6.373 -4.288 1.00 0.00 H new ATOM 0 HB3 CYS A 421 1.127 -6.598 -4.188 1.00 0.00 H new ATOM 212 N THR A 422 1.935 -4.220 -1.268 1.00 0.00 N ATOM 213 CA THR A 422 3.281 -4.011 -0.582 1.00 0.00 C ATOM 214 C THR A 422 4.068 -2.893 -1.309 1.00 0.00 C ATOM 215 O THR A 422 4.600 -3.097 -2.395 1.00 0.00 O ATOM 216 CB THR A 422 4.089 -5.334 -0.555 1.00 0.00 C ATOM 217 OG1 THR A 422 3.331 -6.345 0.102 1.00 0.00 O ATOM 218 CG2 THR A 422 5.403 -5.133 0.199 1.00 0.00 C ATOM 0 H THR A 422 1.133 -3.964 -0.692 1.00 0.00 H new ATOM 0 HA THR A 422 3.113 -3.704 0.450 1.00 0.00 H new ATOM 0 HB THR A 422 4.301 -5.635 -1.581 1.00 0.00 H new ATOM 0 HG1 THR A 422 3.843 -7.180 0.116 1.00 0.00 H new ATOM 0 HG21 THR A 422 5.962 -6.069 0.212 1.00 0.00 H new ATOM 0 HG22 THR A 422 5.994 -4.364 -0.298 1.00 0.00 H new ATOM 0 HG23 THR A 422 5.192 -4.823 1.222 1.00 0.00 H new ATOM 226 N ASP A 423 4.114 -1.707 -0.715 1.00 0.00 N ATOM 227 CA ASP A 423 4.822 -0.538 -1.354 1.00 0.00 C ATOM 228 C ASP A 423 5.557 0.363 -0.322 1.00 0.00 C ATOM 229 O ASP A 423 6.635 0.865 -0.617 1.00 0.00 O ATOM 230 CB ASP A 423 3.774 0.310 -2.096 1.00 0.00 C ATOM 231 CG ASP A 423 3.254 -0.427 -3.340 1.00 0.00 C ATOM 232 OD1 ASP A 423 3.887 -0.312 -4.375 1.00 0.00 O ATOM 233 OD2 ASP A 423 2.222 -1.081 -3.240 1.00 0.00 O ATOM 0 H ASP A 423 3.688 -1.503 0.189 1.00 0.00 H new ATOM 0 HA ASP A 423 5.579 -0.935 -2.030 1.00 0.00 H new ATOM 0 HB2 ASP A 423 2.943 0.535 -1.428 1.00 0.00 H new ATOM 0 HB3 ASP A 423 4.213 1.263 -2.390 1.00 0.00 H new ATOM 238 N ILE A 424 4.973 0.607 0.851 1.00 0.00 N ATOM 239 CA ILE A 424 5.619 1.522 1.883 1.00 0.00 C ATOM 240 C ILE A 424 6.267 0.755 3.066 1.00 0.00 C ATOM 241 O ILE A 424 7.158 1.296 3.711 1.00 0.00 O ATOM 242 CB ILE A 424 4.571 2.521 2.439 1.00 0.00 C ATOM 243 CG1 ILE A 424 3.323 1.781 2.964 1.00 0.00 C ATOM 244 CG2 ILE A 424 4.155 3.494 1.330 1.00 0.00 C ATOM 245 CD1 ILE A 424 2.635 2.617 4.046 1.00 0.00 C ATOM 0 H ILE A 424 4.077 0.212 1.137 1.00 0.00 H new ATOM 0 HA ILE A 424 6.418 2.050 1.364 1.00 0.00 H new ATOM 0 HB ILE A 424 5.023 3.067 3.267 1.00 0.00 H new ATOM 0 HG12 ILE A 424 2.630 1.592 2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 424 3.609 0.811 3.370 1.00 0.00 H new ATOM 0 HG21 ILE A 424 3.418 4.197 1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 424 5.030 4.042 0.980 1.00 0.00 H new ATOM 0 HG23 ILE A 424 3.721 2.936 0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 424 1.755 2.087 4.411 1.00 0.00 H new ATOM 0 HD12 ILE A 424 3.327 2.784 4.872 1.00 0.00 H new ATOM 0 HD13 ILE A 424 2.333 3.577 3.627 1.00 0.00 H new ATOM 257 N ASP A 425 5.831 -0.462 3.367 1.00 0.00 N ATOM 258 CA ASP A 425 6.411 -1.237 4.526 1.00 0.00 C ATOM 259 C ASP A 425 7.456 -2.275 4.036 1.00 0.00 C ATOM 260 O ASP A 425 7.283 -3.485 4.176 1.00 0.00 O ATOM 261 CB ASP A 425 5.255 -1.904 5.304 1.00 0.00 C ATOM 262 CG ASP A 425 4.634 -0.896 6.288 1.00 0.00 C ATOM 263 OD1 ASP A 425 3.868 -0.049 5.849 1.00 0.00 O ATOM 264 OD2 ASP A 425 4.933 -0.992 7.467 1.00 0.00 O ATOM 0 H ASP A 425 5.096 -0.950 2.855 1.00 0.00 H new ATOM 0 HA ASP A 425 6.941 -0.559 5.195 1.00 0.00 H new ATOM 0 HB2 ASP A 425 4.496 -2.261 4.608 1.00 0.00 H new ATOM 0 HB3 ASP A 425 5.625 -2.774 5.846 1.00 0.00 H new ATOM 269 N GLU A 426 8.548 -1.782 3.467 1.00 0.00 N ATOM 270 CA GLU A 426 9.654 -2.668 2.957 1.00 0.00 C ATOM 271 C GLU A 426 10.983 -2.192 3.468 1.00 0.00 C ATOM 272 O GLU A 426 11.866 -1.867 2.676 1.00 0.00 O ATOM 273 CB GLU A 426 9.640 -2.661 1.422 1.00 0.00 C ATOM 274 CG GLU A 426 8.442 -3.482 0.919 1.00 0.00 C ATOM 275 CD GLU A 426 7.358 -2.556 0.352 1.00 0.00 C ATOM 276 OE1 GLU A 426 7.457 -2.200 -0.810 1.00 0.00 O ATOM 277 OE2 GLU A 426 6.435 -2.239 1.083 1.00 0.00 O ATOM 278 OXT GLU A 426 11.206 -2.122 4.781 1.00 0.00 O ATOM 0 H GLU A 426 8.717 -0.785 3.335 1.00 0.00 H new ATOM 0 HA GLU A 426 9.496 -3.685 3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 426 9.574 -1.638 1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 426 10.570 -3.080 1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 426 8.770 -4.182 0.150 1.00 0.00 H new ATOM 0 HG3 GLU A 426 8.031 -4.075 1.736 1.00 0.00 H new TER 286 GLU A 426