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= 1.12 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 407 -5.125 -7.692 -3.840 1.00 0.00 N ATOM 2 CA CYS A 407 -4.129 -7.033 -2.983 1.00 0.00 C ATOM 3 C CYS A 407 -4.562 -5.581 -2.691 1.00 0.00 C ATOM 4 O CYS A 407 -4.613 -4.742 -3.589 1.00 0.00 O ATOM 5 CB CYS A 407 -2.769 -7.032 -3.688 1.00 0.00 C ATOM 6 SG CYS A 407 -1.744 -8.387 -3.067 1.00 0.00 S ATOM 0 HA CYS A 407 -4.051 -7.577 -2.042 1.00 0.00 H new ATOM 0 HB2 CYS A 407 -2.909 -7.135 -4.764 1.00 0.00 H new ATOM 0 HB3 CYS A 407 -2.266 -6.080 -3.522 1.00 0.00 H new ATOM 12 N GLU A 408 -4.880 -5.292 -1.439 1.00 0.00 N ATOM 13 CA GLU A 408 -5.329 -3.910 -1.032 1.00 0.00 C ATOM 14 C GLU A 408 -4.464 -3.369 0.127 1.00 0.00 C ATOM 15 O GLU A 408 -3.794 -4.122 0.829 1.00 0.00 O ATOM 16 CB GLU A 408 -6.788 -3.972 -0.574 1.00 0.00 C ATOM 17 CG GLU A 408 -7.712 -4.306 -1.765 1.00 0.00 C ATOM 18 CD GLU A 408 -8.182 -5.770 -1.684 1.00 0.00 C ATOM 19 OE1 GLU A 408 -9.164 -6.023 -1.003 1.00 0.00 O ATOM 20 OE2 GLU A 408 -7.555 -6.613 -2.309 1.00 0.00 O ATOM 0 H GLU A 408 -4.846 -5.966 -0.674 1.00 0.00 H new ATOM 0 HA GLU A 408 -5.224 -3.244 -1.889 1.00 0.00 H new ATOM 0 HB2 GLU A 408 -6.900 -4.727 0.204 1.00 0.00 H new ATOM 0 HB3 GLU A 408 -7.079 -3.017 -0.136 1.00 0.00 H new ATOM 0 HG2 GLU A 408 -8.575 -3.640 -1.763 1.00 0.00 H new ATOM 0 HG3 GLU A 408 -7.182 -4.139 -2.703 1.00 0.00 H new ATOM 27 N ALA A 409 -4.485 -2.057 0.321 1.00 0.00 N ATOM 28 CA ALA A 409 -3.685 -1.412 1.418 1.00 0.00 C ATOM 29 C ALA A 409 -4.516 -1.401 2.733 1.00 0.00 C ATOM 30 O ALA A 409 -5.585 -0.801 2.774 1.00 0.00 O ATOM 31 CB ALA A 409 -3.307 0.019 0.997 1.00 0.00 C ATOM 0 H ALA A 409 -5.030 -1.405 -0.244 1.00 0.00 H new ATOM 0 HA ALA A 409 -2.770 -1.978 1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 409 -2.727 0.490 1.790 1.00 0.00 H new ATOM 0 HB2 ALA A 409 -2.713 -0.015 0.084 1.00 0.00 H new ATOM 0 HB3 ALA A 409 -4.214 0.597 0.818 1.00 0.00 H new ATOM 37 N PRO A 410 -4.007 -2.083 3.771 1.00 0.00 N ATOM 38 CA PRO A 410 -4.688 -2.183 5.103 1.00 0.00 C ATOM 39 C PRO A 410 -4.642 -0.857 5.908 1.00 0.00 C ATOM 40 O PRO A 410 -4.192 0.172 5.420 1.00 0.00 O ATOM 41 CB PRO A 410 -3.910 -3.303 5.815 1.00 0.00 C ATOM 42 CG PRO A 410 -2.530 -3.392 5.126 1.00 0.00 C ATOM 43 CD PRO A 410 -2.711 -2.812 3.717 1.00 0.00 C ATOM 0 HA PRO A 410 -5.753 -2.391 5.003 1.00 0.00 H new ATOM 0 HB2 PRO A 410 -3.799 -3.083 6.877 1.00 0.00 H new ATOM 0 HB3 PRO A 410 -4.442 -4.252 5.740 1.00 0.00 H new ATOM 0 HG2 PRO A 410 -1.781 -2.830 5.684 1.00 0.00 H new ATOM 0 HG3 PRO A 410 -2.185 -4.425 5.079 1.00 0.00 H new ATOM 0 HD2 PRO A 410 -1.891 -2.143 3.456 1.00 0.00 H new ATOM 0 HD3 PRO A 410 -2.731 -3.600 2.964 1.00 0.00 H new ATOM 51 N GLU A 411 -5.132 -0.900 7.146 1.00 0.00 N ATOM 52 CA GLU A 411 -5.166 0.315 8.049 1.00 0.00 C ATOM 53 C GLU A 411 -3.749 0.897 8.219 1.00 0.00 C ATOM 54 O GLU A 411 -2.809 0.181 8.558 1.00 0.00 O ATOM 55 CB GLU A 411 -5.727 -0.085 9.418 1.00 0.00 C ATOM 56 CG GLU A 411 -7.231 -0.407 9.291 1.00 0.00 C ATOM 57 CD GLU A 411 -7.458 -1.926 9.396 1.00 0.00 C ATOM 58 OE1 GLU A 411 -7.377 -2.593 8.372 1.00 0.00 O ATOM 59 OE2 GLU A 411 -7.713 -2.396 10.492 1.00 0.00 O ATOM 0 H GLU A 411 -5.515 -1.744 7.571 1.00 0.00 H new ATOM 0 HA GLU A 411 -5.804 1.075 7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -5.191 -0.953 9.802 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -5.578 0.724 10.133 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -7.788 0.107 10.074 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -7.610 -0.040 8.337 1.00 0.00 H new ATOM 66 N GLY A 412 -3.589 2.185 7.934 1.00 0.00 N ATOM 67 CA GLY A 412 -2.234 2.849 8.012 1.00 0.00 C ATOM 68 C GLY A 412 -1.586 2.846 6.612 1.00 0.00 C ATOM 69 O GLY A 412 -0.927 3.801 6.230 1.00 0.00 O ATOM 0 H GLY A 412 -4.347 2.805 7.649 1.00 0.00 H new ATOM 0 HA2 GLY A 412 -2.337 3.871 8.376 1.00 0.00 H new ATOM 0 HA3 GLY A 412 -1.597 2.321 8.722 1.00 0.00 H new ATOM 73 N TYR A 413 -1.796 1.775 5.852 1.00 0.00 N ATOM 74 CA TYR A 413 -1.246 1.645 4.462 1.00 0.00 C ATOM 75 C TYR A 413 -2.019 2.569 3.501 1.00 0.00 C ATOM 76 O TYR A 413 -3.247 2.622 3.532 1.00 0.00 O ATOM 77 CB TYR A 413 -1.430 0.204 3.988 1.00 0.00 C ATOM 78 CG TYR A 413 -0.132 -0.344 3.476 1.00 0.00 C ATOM 79 CD1 TYR A 413 0.206 -0.216 2.128 1.00 0.00 C ATOM 80 CD2 TYR A 413 0.716 -1.006 4.351 1.00 0.00 C ATOM 81 CE1 TYR A 413 1.403 -0.749 1.659 1.00 0.00 C ATOM 82 CE2 TYR A 413 1.912 -1.547 3.888 1.00 0.00 C ATOM 83 CZ TYR A 413 2.260 -1.420 2.538 1.00 0.00 C ATOM 84 OH TYR A 413 3.449 -1.946 2.068 1.00 0.00 O ATOM 0 H TYR A 413 -2.343 0.969 6.157 1.00 0.00 H new ATOM 0 HA TYR A 413 -0.191 1.919 4.470 1.00 0.00 H new ATOM 0 HB2 TYR A 413 -1.794 -0.413 4.810 1.00 0.00 H new ATOM 0 HB3 TYR A 413 -2.184 0.166 3.202 1.00 0.00 H new ATOM 0 HD1 TYR A 413 -0.460 0.296 1.450 1.00 0.00 H new ATOM 0 HD2 TYR A 413 0.448 -1.102 5.393 1.00 0.00 H new ATOM 0 HE1 TYR A 413 1.670 -0.645 0.618 1.00 0.00 H new ATOM 0 HE2 TYR A 413 2.571 -2.064 4.570 1.00 0.00 H new ATOM 0 HH TYR A 413 3.608 -2.819 2.484 1.00 0.00 H new ATOM 94 N ILE A 414 -1.308 3.276 2.641 1.00 0.00 N ATOM 95 CA ILE A 414 -1.974 4.201 1.646 1.00 0.00 C ATOM 96 C ILE A 414 -0.948 4.715 0.606 1.00 0.00 C ATOM 97 O ILE A 414 -0.162 5.617 0.880 1.00 0.00 O ATOM 98 CB ILE A 414 -2.682 5.386 2.393 1.00 0.00 C ATOM 99 CG1 ILE A 414 -3.100 6.506 1.410 1.00 0.00 C ATOM 100 CG2 ILE A 414 -1.760 5.994 3.462 1.00 0.00 C ATOM 101 CD1 ILE A 414 -4.041 5.961 0.329 1.00 0.00 C ATOM 0 H ILE A 414 -0.290 3.253 2.584 1.00 0.00 H new ATOM 0 HA ILE A 414 -2.738 3.643 1.104 1.00 0.00 H new ATOM 0 HB ILE A 414 -3.572 4.971 2.867 1.00 0.00 H new ATOM 0 HG12 ILE A 414 -3.594 7.310 1.956 1.00 0.00 H new ATOM 0 HG13 ILE A 414 -2.214 6.936 0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 414 -2.275 6.813 3.964 1.00 0.00 H new ATOM 0 HG22 ILE A 414 -1.496 5.229 4.192 1.00 0.00 H new ATOM 0 HG23 ILE A 414 -0.854 6.372 2.989 1.00 0.00 H new ATOM 0 HD11 ILE A 414 -4.321 6.767 -0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 414 -3.535 5.174 -0.231 1.00 0.00 H new ATOM 0 HD13 ILE A 414 -4.937 5.554 0.798 1.00 0.00 H new ATOM 113 N LEU A 415 -0.970 4.144 -0.595 1.00 0.00 N ATOM 114 CA LEU A 415 -0.033 4.597 -1.681 1.00 0.00 C ATOM 115 C LEU A 415 -0.759 5.609 -2.584 1.00 0.00 C ATOM 116 O LEU A 415 -1.700 5.264 -3.301 1.00 0.00 O ATOM 117 CB LEU A 415 0.444 3.407 -2.525 1.00 0.00 C ATOM 118 CG LEU A 415 1.695 2.744 -1.914 1.00 0.00 C ATOM 119 CD1 LEU A 415 2.881 3.714 -1.956 1.00 0.00 C ATOM 120 CD2 LEU A 415 1.433 2.318 -0.459 1.00 0.00 C ATOM 0 H LEU A 415 -1.598 3.386 -0.861 1.00 0.00 H new ATOM 0 HA LEU A 415 0.838 5.062 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 415 -0.357 2.672 -2.604 1.00 0.00 H new ATOM 0 HB3 LEU A 415 0.668 3.744 -3.537 1.00 0.00 H new ATOM 0 HG LEU A 415 1.929 1.857 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 415 3.759 3.235 -1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 415 3.091 3.987 -2.990 1.00 0.00 H new ATOM 0 HD13 LEU A 415 2.638 4.611 -1.386 1.00 0.00 H new ATOM 0 HD21 LEU A 415 2.329 1.853 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 415 1.174 3.194 0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 415 0.609 1.605 -0.431 1.00 0.00 H new ATOM 132 N ASP A 416 -0.307 6.848 -2.552 1.00 0.00 N ATOM 133 CA ASP A 416 -0.915 7.951 -3.395 1.00 0.00 C ATOM 134 C ASP A 416 -0.753 7.650 -4.907 1.00 0.00 C ATOM 135 O ASP A 416 -1.562 8.092 -5.713 1.00 0.00 O ATOM 136 CB ASP A 416 -0.244 9.301 -3.045 1.00 0.00 C ATOM 137 CG ASP A 416 1.285 9.233 -3.248 1.00 0.00 C ATOM 138 OD1 ASP A 416 1.973 8.851 -2.312 1.00 0.00 O ATOM 139 OD2 ASP A 416 1.738 9.564 -4.332 1.00 0.00 O ATOM 0 H ASP A 416 0.472 7.151 -1.967 1.00 0.00 H new ATOM 0 HA ASP A 416 -1.981 8.007 -3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.662 10.091 -3.670 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -0.465 9.563 -2.010 1.00 0.00 H new ATOM 144 N ASP A 417 0.277 6.892 -5.280 1.00 0.00 N ATOM 145 CA ASP A 417 0.528 6.520 -6.725 1.00 0.00 C ATOM 146 C ASP A 417 -0.656 5.706 -7.309 1.00 0.00 C ATOM 147 O ASP A 417 -0.872 5.720 -8.514 1.00 0.00 O ATOM 148 CB ASP A 417 1.817 5.667 -6.827 1.00 0.00 C ATOM 149 CG ASP A 417 2.990 6.344 -6.092 1.00 0.00 C ATOM 150 OD1 ASP A 417 3.688 7.124 -6.719 1.00 0.00 O ATOM 151 OD2 ASP A 417 3.170 6.058 -4.916 1.00 0.00 O ATOM 0 H ASP A 417 0.963 6.512 -4.628 1.00 0.00 H new ATOM 0 HA ASP A 417 0.636 7.443 -7.295 1.00 0.00 H new ATOM 0 HB2 ASP A 417 1.638 4.680 -6.401 1.00 0.00 H new ATOM 0 HB3 ASP A 417 2.077 5.519 -7.875 1.00 0.00 H new ATOM 156 N GLY A 418 -1.408 4.995 -6.467 1.00 0.00 N ATOM 157 CA GLY A 418 -2.571 4.162 -6.951 1.00 0.00 C ATOM 158 C GLY A 418 -2.647 2.828 -6.178 1.00 0.00 C ATOM 159 O GLY A 418 -3.727 2.288 -6.004 1.00 0.00 O ATOM 0 H GLY A 418 -1.257 4.962 -5.459 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -3.500 4.716 -6.821 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -2.464 3.964 -8.018 1.00 0.00 H new ATOM 163 N PHE A 419 -1.501 2.311 -5.717 1.00 0.00 N ATOM 164 CA PHE A 419 -1.424 1.021 -4.939 1.00 0.00 C ATOM 165 C PHE A 419 -1.606 -0.225 -5.828 1.00 0.00 C ATOM 166 O PHE A 419 -2.333 -0.223 -6.815 1.00 0.00 O ATOM 167 CB PHE A 419 -2.455 0.981 -3.792 1.00 0.00 C ATOM 168 CG PHE A 419 -2.034 -0.108 -2.838 1.00 0.00 C ATOM 169 CD1 PHE A 419 -0.877 0.062 -2.092 1.00 0.00 C ATOM 170 CD2 PHE A 419 -2.764 -1.299 -2.743 1.00 0.00 C ATOM 171 CE1 PHE A 419 -0.443 -0.939 -1.240 1.00 0.00 C ATOM 172 CE2 PHE A 419 -2.327 -2.316 -1.889 1.00 0.00 C ATOM 173 CZ PHE A 419 -1.163 -2.135 -1.133 1.00 0.00 C ATOM 0 H PHE A 419 -0.594 2.755 -5.860 1.00 0.00 H new ATOM 0 HA PHE A 419 -0.418 0.996 -4.520 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -2.497 1.943 -3.281 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -3.454 0.784 -4.182 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -0.313 0.979 -2.176 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -3.662 -1.432 -3.328 1.00 0.00 H new ATOM 0 HE1 PHE A 419 0.454 -0.797 -0.656 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -2.885 -3.237 -1.813 1.00 0.00 H new ATOM 0 HZ PHE A 419 -0.821 -2.915 -0.469 1.00 0.00 H new ATOM 183 N ILE A 420 -0.933 -1.297 -5.433 1.00 0.00 N ATOM 184 CA ILE A 420 -1.000 -2.610 -6.162 1.00 0.00 C ATOM 185 C ILE A 420 -0.940 -3.744 -5.120 1.00 0.00 C ATOM 186 O ILE A 420 -1.862 -4.531 -5.020 1.00 0.00 O ATOM 187 CB ILE A 420 0.179 -2.791 -7.163 1.00 0.00 C ATOM 188 CG1 ILE A 420 0.840 -1.451 -7.544 1.00 0.00 C ATOM 189 CG2 ILE A 420 -0.338 -3.467 -8.434 1.00 0.00 C ATOM 190 CD1 ILE A 420 1.861 -1.068 -6.467 1.00 0.00 C ATOM 0 H ILE A 420 -0.326 -1.309 -4.613 1.00 0.00 H new ATOM 0 HA ILE A 420 -1.928 -2.634 -6.734 1.00 0.00 H new ATOM 0 HB ILE A 420 0.933 -3.406 -6.671 1.00 0.00 H new ATOM 0 HG12 ILE A 420 1.331 -1.537 -8.513 1.00 0.00 H new ATOM 0 HG13 ILE A 420 0.083 -0.672 -7.638 1.00 0.00 H new ATOM 0 HG21 ILE A 420 0.484 -3.596 -9.138 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -0.757 -4.442 -8.183 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -1.110 -2.846 -8.888 1.00 0.00 H new ATOM 0 HD11 ILE A 420 2.331 -0.121 -6.732 1.00 0.00 H new ATOM 0 HD12 ILE A 420 1.356 -0.966 -5.507 1.00 0.00 H new ATOM 0 HD13 ILE A 420 2.623 -1.844 -6.396 1.00 0.00 H new ATOM 202 N CYS A 421 0.153 -3.807 -4.352 1.00 0.00 N ATOM 203 CA CYS A 421 0.353 -4.870 -3.290 1.00 0.00 C ATOM 204 C CYS A 421 1.747 -4.697 -2.636 1.00 0.00 C ATOM 205 O CYS A 421 2.758 -5.000 -3.257 1.00 0.00 O ATOM 206 CB CYS A 421 0.277 -6.275 -3.923 1.00 0.00 C ATOM 207 SG CYS A 421 0.027 -7.514 -2.621 1.00 0.00 S ATOM 0 H CYS A 421 0.927 -3.147 -4.425 1.00 0.00 H new ATOM 0 HA CYS A 421 -0.430 -4.763 -2.539 1.00 0.00 H new ATOM 0 HB2 CYS A 421 -0.541 -6.318 -4.642 1.00 0.00 H new ATOM 0 HB3 CYS A 421 1.195 -6.488 -4.471 1.00 0.00 H new ATOM 212 N THR A 422 1.794 -4.223 -1.385 1.00 0.00 N ATOM 213 CA THR A 422 3.106 -4.018 -0.628 1.00 0.00 C ATOM 214 C THR A 422 3.952 -2.919 -1.320 1.00 0.00 C ATOM 215 O THR A 422 4.498 -3.128 -2.398 1.00 0.00 O ATOM 216 CB THR A 422 3.894 -5.351 -0.545 1.00 0.00 C ATOM 217 OG1 THR A 422 3.083 -6.348 0.069 1.00 0.00 O ATOM 218 CG2 THR A 422 5.162 -5.164 0.288 1.00 0.00 C ATOM 0 H THR A 422 0.964 -3.966 -0.850 1.00 0.00 H new ATOM 0 HA THR A 422 2.882 -3.692 0.388 1.00 0.00 H new ATOM 0 HB THR A 422 4.165 -5.660 -1.555 1.00 0.00 H new ATOM 0 HG1 THR A 422 3.582 -7.190 0.119 1.00 0.00 H new ATOM 0 HG21 THR A 422 5.706 -6.107 0.339 1.00 0.00 H new ATOM 0 HG22 THR A 422 5.793 -4.405 -0.175 1.00 0.00 H new ATOM 0 HG23 THR A 422 4.892 -4.846 1.295 1.00 0.00 H new ATOM 226 N ASP A 423 4.036 -1.743 -0.705 1.00 0.00 N ATOM 227 CA ASP A 423 4.805 -0.597 -1.317 1.00 0.00 C ATOM 228 C ASP A 423 5.539 0.279 -0.265 1.00 0.00 C ATOM 229 O ASP A 423 6.642 0.742 -0.526 1.00 0.00 O ATOM 230 CB ASP A 423 3.814 0.288 -2.092 1.00 0.00 C ATOM 231 CG ASP A 423 3.234 -0.465 -3.299 1.00 0.00 C ATOM 232 OD1 ASP A 423 3.903 -0.513 -4.316 1.00 0.00 O ATOM 233 OD2 ASP A 423 2.124 -0.973 -3.188 1.00 0.00 O ATOM 0 H ASP A 423 3.603 -1.533 0.194 1.00 0.00 H new ATOM 0 HA ASP A 423 5.569 -1.024 -1.966 1.00 0.00 H new ATOM 0 HB2 ASP A 423 3.006 0.601 -1.431 1.00 0.00 H new ATOM 0 HB3 ASP A 423 4.317 1.194 -2.431 1.00 0.00 H new ATOM 238 N ILE A 424 4.926 0.549 0.888 1.00 0.00 N ATOM 239 CA ILE A 424 5.572 1.446 1.936 1.00 0.00 C ATOM 240 C ILE A 424 6.190 0.664 3.125 1.00 0.00 C ATOM 241 O ILE A 424 7.072 1.192 3.793 1.00 0.00 O ATOM 242 CB ILE A 424 4.535 2.464 2.477 1.00 0.00 C ATOM 243 CG1 ILE A 424 3.272 1.744 2.997 1.00 0.00 C ATOM 244 CG2 ILE A 424 4.142 3.436 1.361 1.00 0.00 C ATOM 245 CD1 ILE A 424 2.595 2.591 4.079 1.00 0.00 C ATOM 0 H ILE A 424 4.008 0.187 1.147 1.00 0.00 H new ATOM 0 HA ILE A 424 6.391 1.960 1.432 1.00 0.00 H new ATOM 0 HB ILE A 424 4.988 3.009 3.305 1.00 0.00 H new ATOM 0 HG12 ILE A 424 2.579 1.568 2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 424 3.540 0.768 3.402 1.00 0.00 H new ATOM 0 HG21 ILE A 424 3.413 4.151 1.742 1.00 0.00 H new ATOM 0 HG22 ILE A 424 5.027 3.969 1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 424 3.706 2.880 0.531 1.00 0.00 H new ATOM 0 HD11 ILE A 424 1.705 2.076 4.440 1.00 0.00 H new ATOM 0 HD12 ILE A 424 3.287 2.744 4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 424 2.311 3.556 3.660 1.00 0.00 H new ATOM 257 N ASP A 425 5.740 -0.553 3.406 1.00 0.00 N ATOM 258 CA ASP A 425 6.292 -1.341 4.571 1.00 0.00 C ATOM 259 C ASP A 425 7.322 -2.397 4.090 1.00 0.00 C ATOM 260 O ASP A 425 7.125 -3.604 4.226 1.00 0.00 O ATOM 261 CB ASP A 425 5.116 -1.987 5.335 1.00 0.00 C ATOM 262 CG ASP A 425 4.509 -0.973 6.320 1.00 0.00 C ATOM 263 OD1 ASP A 425 3.771 -0.102 5.880 1.00 0.00 O ATOM 264 OD2 ASP A 425 4.790 -1.086 7.502 1.00 0.00 O ATOM 0 H ASP A 425 5.013 -1.032 2.875 1.00 0.00 H new ATOM 0 HA ASP A 425 6.827 -0.674 5.248 1.00 0.00 H new ATOM 0 HB2 ASP A 425 4.355 -2.323 4.631 1.00 0.00 H new ATOM 0 HB3 ASP A 425 5.462 -2.868 5.875 1.00 0.00 H new ATOM 269 N GLU A 426 8.430 -1.925 3.534 1.00 0.00 N ATOM 270 CA GLU A 426 9.526 -2.832 3.035 1.00 0.00 C ATOM 271 C GLU A 426 10.858 -2.378 3.557 1.00 0.00 C ATOM 272 O GLU A 426 11.754 -2.069 2.773 1.00 0.00 O ATOM 273 CB GLU A 426 9.524 -2.827 1.499 1.00 0.00 C ATOM 274 CG GLU A 426 8.317 -3.628 0.988 1.00 0.00 C ATOM 275 CD GLU A 426 7.258 -2.687 0.402 1.00 0.00 C ATOM 276 OE1 GLU A 426 7.369 -2.349 -0.765 1.00 0.00 O ATOM 277 OE2 GLU A 426 6.339 -2.337 1.124 1.00 0.00 O ATOM 278 OXT GLU A 426 11.071 -2.310 4.872 1.00 0.00 O ATOM 0 H GLU A 426 8.619 -0.931 3.405 1.00 0.00 H new ATOM 0 HA GLU A 426 9.348 -3.846 3.394 1.00 0.00 H new ATOM 0 HB2 GLU A 426 9.479 -1.803 1.128 1.00 0.00 H new ATOM 0 HB3 GLU A 426 10.449 -3.262 1.122 1.00 0.00 H new ATOM 0 HG2 GLU A 426 8.640 -4.339 0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 426 7.886 -4.207 1.804 1.00 0.00 H new TER 286 GLU A 426