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= 0.964 USER MOD Single : A 422 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 407 -5.190 -7.958 -3.895 1.00 0.00 N ATOM 2 CA CYS A 407 -4.245 -7.213 -3.052 1.00 0.00 C ATOM 3 C CYS A 407 -4.818 -5.829 -2.688 1.00 0.00 C ATOM 4 O CYS A 407 -5.362 -5.130 -3.537 1.00 0.00 O ATOM 5 CB CYS A 407 -2.923 -7.026 -3.802 1.00 0.00 C ATOM 6 SG CYS A 407 -1.773 -8.349 -3.348 1.00 0.00 S ATOM 0 HA CYS A 407 -4.077 -7.780 -2.137 1.00 0.00 H new ATOM 0 HB2 CYS A 407 -3.099 -7.037 -4.878 1.00 0.00 H new ATOM 0 HB3 CYS A 407 -2.490 -6.055 -3.560 1.00 0.00 H new ATOM 12 N GLU A 408 -4.685 -5.436 -1.429 1.00 0.00 N ATOM 13 CA GLU A 408 -5.202 -4.097 -0.962 1.00 0.00 C ATOM 14 C GLU A 408 -4.251 -3.455 0.078 1.00 0.00 C ATOM 15 O GLU A 408 -3.281 -4.065 0.522 1.00 0.00 O ATOM 16 CB GLU A 408 -6.612 -4.263 -0.353 1.00 0.00 C ATOM 17 CG GLU A 408 -6.593 -5.242 0.845 1.00 0.00 C ATOM 18 CD GLU A 408 -6.285 -4.505 2.169 1.00 0.00 C ATOM 19 OE1 GLU A 408 -7.088 -3.680 2.581 1.00 0.00 O ATOM 20 OE2 GLU A 408 -5.254 -4.791 2.756 1.00 0.00 O ATOM 0 H GLU A 408 -4.236 -5.993 -0.702 1.00 0.00 H new ATOM 0 HA GLU A 408 -5.252 -3.434 -1.826 1.00 0.00 H new ATOM 0 HB2 GLU A 408 -6.987 -3.293 -0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 408 -7.299 -4.630 -1.115 1.00 0.00 H new ATOM 0 HG2 GLU A 408 -7.557 -5.744 0.922 1.00 0.00 H new ATOM 0 HG3 GLU A 408 -5.844 -6.015 0.674 1.00 0.00 H new ATOM 27 N ALA A 409 -4.550 -2.224 0.466 1.00 0.00 N ATOM 28 CA ALA A 409 -3.727 -1.493 1.483 1.00 0.00 C ATOM 29 C ALA A 409 -4.550 -1.403 2.800 1.00 0.00 C ATOM 30 O ALA A 409 -5.586 -0.748 2.830 1.00 0.00 O ATOM 31 CB ALA A 409 -3.372 -0.096 0.951 1.00 0.00 C ATOM 0 H ALA A 409 -5.345 -1.694 0.110 1.00 0.00 H new ATOM 0 HA ALA A 409 -2.794 -2.021 1.679 1.00 0.00 H new ATOM 0 HB1 ALA A 409 -2.774 0.434 1.692 1.00 0.00 H new ATOM 0 HB2 ALA A 409 -2.803 -0.193 0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 409 -4.287 0.463 0.757 1.00 0.00 H new ATOM 37 N PRO A 410 -4.080 -2.096 3.845 1.00 0.00 N ATOM 38 CA PRO A 410 -4.768 -2.148 5.172 1.00 0.00 C ATOM 39 C PRO A 410 -4.671 -0.820 5.966 1.00 0.00 C ATOM 40 O PRO A 410 -4.193 0.190 5.465 1.00 0.00 O ATOM 41 CB PRO A 410 -4.051 -3.301 5.897 1.00 0.00 C ATOM 42 CG PRO A 410 -2.675 -3.469 5.212 1.00 0.00 C ATOM 43 CD PRO A 410 -2.818 -2.882 3.801 1.00 0.00 C ATOM 0 HA PRO A 410 -5.842 -2.303 5.068 1.00 0.00 H new ATOM 0 HB2 PRO A 410 -3.931 -3.077 6.957 1.00 0.00 H new ATOM 0 HB3 PRO A 410 -4.632 -4.221 5.830 1.00 0.00 H new ATOM 0 HG2 PRO A 410 -1.897 -2.950 5.771 1.00 0.00 H new ATOM 0 HG3 PRO A 410 -2.389 -4.520 5.168 1.00 0.00 H new ATOM 0 HD2 PRO A 410 -1.967 -2.250 3.547 1.00 0.00 H new ATOM 0 HD3 PRO A 410 -2.867 -3.669 3.048 1.00 0.00 H new ATOM 51 N GLU A 411 -5.153 -0.837 7.206 1.00 0.00 N ATOM 52 CA GLU A 411 -5.145 0.386 8.101 1.00 0.00 C ATOM 53 C GLU A 411 -3.716 0.950 8.230 1.00 0.00 C ATOM 54 O GLU A 411 -2.779 0.228 8.562 1.00 0.00 O ATOM 55 CB GLU A 411 -5.676 0.004 9.486 1.00 0.00 C ATOM 56 CG GLU A 411 -7.187 -0.289 9.402 1.00 0.00 C ATOM 57 CD GLU A 411 -7.443 -1.800 9.544 1.00 0.00 C ATOM 58 OE1 GLU A 411 -7.386 -2.492 8.535 1.00 0.00 O ATOM 59 OE2 GLU A 411 -7.692 -2.241 10.655 1.00 0.00 O ATOM 0 H GLU A 411 -5.559 -1.666 7.640 1.00 0.00 H new ATOM 0 HA GLU A 411 -5.783 1.152 7.660 1.00 0.00 H new ATOM 0 HB2 GLU A 411 -5.146 -0.872 9.860 1.00 0.00 H new ATOM 0 HB3 GLU A 411 -5.492 0.813 10.192 1.00 0.00 H new ATOM 0 HG2 GLU A 411 -7.714 0.252 10.188 1.00 0.00 H new ATOM 0 HG3 GLU A 411 -7.582 0.066 8.450 1.00 0.00 H new ATOM 66 N GLY A 412 -3.546 2.232 7.920 1.00 0.00 N ATOM 67 CA GLY A 412 -2.183 2.879 7.960 1.00 0.00 C ATOM 68 C GLY A 412 -1.556 2.846 6.548 1.00 0.00 C ATOM 69 O GLY A 412 -0.855 3.768 6.161 1.00 0.00 O ATOM 0 H GLY A 412 -4.302 2.857 7.640 1.00 0.00 H new ATOM 0 HA2 GLY A 412 -2.267 3.908 8.308 1.00 0.00 H new ATOM 0 HA3 GLY A 412 -1.540 2.355 8.667 1.00 0.00 H new ATOM 73 N TYR A 413 -1.826 1.788 5.788 1.00 0.00 N ATOM 74 CA TYR A 413 -1.295 1.638 4.393 1.00 0.00 C ATOM 75 C TYR A 413 -2.052 2.575 3.431 1.00 0.00 C ATOM 76 O TYR A 413 -3.279 2.636 3.452 1.00 0.00 O ATOM 77 CB TYR A 413 -1.511 0.201 3.924 1.00 0.00 C ATOM 78 CG TYR A 413 -0.218 -0.372 3.429 1.00 0.00 C ATOM 79 CD1 TYR A 413 0.149 -0.229 2.091 1.00 0.00 C ATOM 80 CD2 TYR A 413 0.599 -1.062 4.311 1.00 0.00 C ATOM 81 CE1 TYR A 413 1.345 -0.777 1.638 1.00 0.00 C ATOM 82 CE2 TYR A 413 1.794 -1.618 3.864 1.00 0.00 C ATOM 83 CZ TYR A 413 2.174 -1.477 2.523 1.00 0.00 C ATOM 84 OH TYR A 413 3.362 -2.016 2.068 1.00 0.00 O ATOM 0 H TYR A 413 -2.408 1.009 6.095 1.00 0.00 H new ATOM 0 HA TYR A 413 -0.234 1.889 4.394 1.00 0.00 H new ATOM 0 HB2 TYR A 413 -1.897 -0.404 4.744 1.00 0.00 H new ATOM 0 HB3 TYR A 413 -2.258 0.176 3.130 1.00 0.00 H new ATOM 0 HD1 TYR A 413 -0.494 0.306 1.408 1.00 0.00 H new ATOM 0 HD2 TYR A 413 0.308 -1.168 5.346 1.00 0.00 H new ATOM 0 HE1 TYR A 413 1.634 -0.662 0.604 1.00 0.00 H new ATOM 0 HE2 TYR A 413 2.428 -2.158 4.551 1.00 0.00 H new ATOM 0 HH TYR A 413 3.498 -2.898 2.473 1.00 0.00 H new ATOM 94 N ILE A 414 -1.326 3.281 2.582 1.00 0.00 N ATOM 95 CA ILE A 414 -1.971 4.219 1.586 1.00 0.00 C ATOM 96 C ILE A 414 -0.916 4.771 0.593 1.00 0.00 C ATOM 97 O ILE A 414 -0.150 5.673 0.918 1.00 0.00 O ATOM 98 CB ILE A 414 -2.721 5.380 2.331 1.00 0.00 C ATOM 99 CG1 ILE A 414 -3.117 6.515 1.357 1.00 0.00 C ATOM 100 CG2 ILE A 414 -1.845 5.977 3.446 1.00 0.00 C ATOM 101 CD1 ILE A 414 -4.019 5.983 0.237 1.00 0.00 C ATOM 0 H ILE A 414 -0.308 3.248 2.535 1.00 0.00 H new ATOM 0 HA ILE A 414 -2.709 3.662 1.009 1.00 0.00 H new ATOM 0 HB ILE A 414 -3.622 4.945 2.763 1.00 0.00 H new ATOM 0 HG12 ILE A 414 -3.634 7.304 1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 414 -2.220 6.960 0.927 1.00 0.00 H new ATOM 0 HG21 ILE A 414 -2.389 6.779 3.946 1.00 0.00 H new ATOM 0 HG22 ILE A 414 -1.598 5.200 4.170 1.00 0.00 H new ATOM 0 HG23 ILE A 414 -0.927 6.375 3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 414 -4.284 6.799 -0.435 1.00 0.00 H new ATOM 0 HD12 ILE A 414 -3.489 5.211 -0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 414 -4.926 5.560 0.670 1.00 0.00 H new ATOM 113 N LEU A 415 -0.891 4.231 -0.621 1.00 0.00 N ATOM 114 CA LEU A 415 0.078 4.722 -1.662 1.00 0.00 C ATOM 115 C LEU A 415 -0.634 5.739 -2.573 1.00 0.00 C ATOM 116 O LEU A 415 -1.537 5.392 -3.334 1.00 0.00 O ATOM 117 CB LEU A 415 0.609 3.561 -2.513 1.00 0.00 C ATOM 118 CG LEU A 415 1.856 2.915 -1.876 1.00 0.00 C ATOM 119 CD1 LEU A 415 3.017 3.915 -1.856 1.00 0.00 C ATOM 120 CD2 LEU A 415 1.556 2.446 -0.442 1.00 0.00 C ATOM 0 H LEU A 415 -1.502 3.474 -0.928 1.00 0.00 H new ATOM 0 HA LEU A 415 0.922 5.191 -1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 415 -0.171 2.809 -2.631 1.00 0.00 H new ATOM 0 HB3 LEU A 415 0.856 3.924 -3.511 1.00 0.00 H new ATOM 0 HG LEU A 415 2.134 2.049 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 415 3.892 3.448 -1.404 1.00 0.00 H new ATOM 0 HD12 LEU A 415 3.254 4.218 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 415 2.732 4.791 -1.274 1.00 0.00 H new ATOM 0 HD21 LEU A 415 2.450 1.994 -0.013 1.00 0.00 H new ATOM 0 HD22 LEU A 415 1.254 3.300 0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 415 0.751 1.712 -0.460 1.00 0.00 H new ATOM 132 N ASP A 416 -0.210 6.986 -2.497 1.00 0.00 N ATOM 133 CA ASP A 416 -0.806 8.096 -3.339 1.00 0.00 C ATOM 134 C ASP A 416 -0.580 7.831 -4.852 1.00 0.00 C ATOM 135 O ASP A 416 -1.364 8.279 -5.678 1.00 0.00 O ATOM 136 CB ASP A 416 -0.176 9.451 -2.935 1.00 0.00 C ATOM 137 CG ASP A 416 1.361 9.415 -3.079 1.00 0.00 C ATOM 138 OD1 ASP A 416 2.019 9.029 -2.126 1.00 0.00 O ATOM 139 OD2 ASP A 416 1.849 9.778 -4.138 1.00 0.00 O ATOM 0 H ASP A 416 0.539 7.291 -1.875 1.00 0.00 H new ATOM 0 HA ASP A 416 -1.881 8.128 -3.160 1.00 0.00 H new ATOM 0 HB2 ASP A 416 -0.584 10.246 -3.559 1.00 0.00 H new ATOM 0 HB3 ASP A 416 -0.442 9.686 -1.905 1.00 0.00 H new ATOM 144 N ASP A 417 0.475 7.097 -5.200 1.00 0.00 N ATOM 145 CA ASP A 417 0.788 6.764 -6.642 1.00 0.00 C ATOM 146 C ASP A 417 -0.363 5.951 -7.292 1.00 0.00 C ATOM 147 O ASP A 417 -0.540 5.999 -8.503 1.00 0.00 O ATOM 148 CB ASP A 417 2.089 5.926 -6.713 1.00 0.00 C ATOM 149 CG ASP A 417 3.226 6.604 -5.925 1.00 0.00 C ATOM 150 OD1 ASP A 417 3.937 7.404 -6.513 1.00 0.00 O ATOM 151 OD2 ASP A 417 3.367 6.301 -4.748 1.00 0.00 O ATOM 0 H ASP A 417 1.140 6.711 -4.530 1.00 0.00 H new ATOM 0 HA ASP A 417 0.909 7.702 -7.184 1.00 0.00 H new ATOM 0 HB2 ASP A 417 1.906 4.930 -6.310 1.00 0.00 H new ATOM 0 HB3 ASP A 417 2.388 5.799 -7.754 1.00 0.00 H new ATOM 156 N GLY A 418 -1.132 5.203 -6.497 1.00 0.00 N ATOM 157 CA GLY A 418 -2.266 4.371 -7.047 1.00 0.00 C ATOM 158 C GLY A 418 -2.391 3.048 -6.266 1.00 0.00 C ATOM 159 O GLY A 418 -3.490 2.546 -6.091 1.00 0.00 O ATOM 0 H GLY A 418 -1.014 5.139 -5.486 1.00 0.00 H new ATOM 0 HA2 GLY A 418 -3.200 4.929 -6.981 1.00 0.00 H new ATOM 0 HA3 GLY A 418 -2.093 4.162 -8.103 1.00 0.00 H new ATOM 163 N PHE A 419 -1.265 2.496 -5.798 1.00 0.00 N ATOM 164 CA PHE A 419 -1.234 1.211 -5.011 1.00 0.00 C ATOM 165 C PHE A 419 -1.482 -0.039 -5.881 1.00 0.00 C ATOM 166 O PHE A 419 -2.226 -0.020 -6.853 1.00 0.00 O ATOM 167 CB PHE A 419 -2.250 1.231 -3.850 1.00 0.00 C ATOM 168 CG PHE A 419 -1.875 0.121 -2.904 1.00 0.00 C ATOM 169 CD1 PHE A 419 -0.711 0.237 -2.162 1.00 0.00 C ATOM 170 CD2 PHE A 419 -2.650 -1.041 -2.820 1.00 0.00 C ATOM 171 CE1 PHE A 419 -0.314 -0.787 -1.323 1.00 0.00 C ATOM 172 CE2 PHE A 419 -2.249 -2.081 -1.979 1.00 0.00 C ATOM 173 CZ PHE A 419 -1.079 -1.954 -1.225 1.00 0.00 C ATOM 0 H PHE A 419 -0.343 2.908 -5.942 1.00 0.00 H new ATOM 0 HA PHE A 419 -0.223 1.144 -4.609 1.00 0.00 H new ATOM 0 HB2 PHE A 419 -2.230 2.194 -3.339 1.00 0.00 H new ATOM 0 HB3 PHE A 419 -3.264 1.090 -4.225 1.00 0.00 H new ATOM 0 HD1 PHE A 419 -0.111 1.132 -2.239 1.00 0.00 H new ATOM 0 HD2 PHE A 419 -3.554 -1.133 -3.403 1.00 0.00 H new ATOM 0 HE1 PHE A 419 0.590 -0.686 -0.741 1.00 0.00 H new ATOM 0 HE2 PHE A 419 -2.842 -2.981 -1.911 1.00 0.00 H new ATOM 0 HZ PHE A 419 -0.767 -2.754 -0.569 1.00 0.00 H new ATOM 183 N ILE A 420 -0.846 -1.133 -5.482 1.00 0.00 N ATOM 184 CA ILE A 420 -0.980 -2.453 -6.189 1.00 0.00 C ATOM 185 C ILE A 420 -0.953 -3.574 -5.130 1.00 0.00 C ATOM 186 O ILE A 420 -1.915 -4.312 -4.986 1.00 0.00 O ATOM 187 CB ILE A 420 0.176 -2.696 -7.204 1.00 0.00 C ATOM 188 CG1 ILE A 420 0.894 -1.391 -7.607 1.00 0.00 C ATOM 189 CG2 ILE A 420 -0.389 -3.358 -8.462 1.00 0.00 C ATOM 190 CD1 ILE A 420 1.957 -1.052 -6.556 1.00 0.00 C ATOM 0 H ILE A 420 -0.225 -1.158 -4.673 1.00 0.00 H new ATOM 0 HA ILE A 420 -1.917 -2.448 -6.746 1.00 0.00 H new ATOM 0 HB ILE A 420 0.907 -3.340 -6.715 1.00 0.00 H new ATOM 0 HG12 ILE A 420 1.358 -1.505 -8.587 1.00 0.00 H new ATOM 0 HG13 ILE A 420 0.174 -0.577 -7.689 1.00 0.00 H new ATOM 0 HG21 ILE A 420 0.417 -3.530 -9.176 1.00 0.00 H new ATOM 0 HG22 ILE A 420 -0.849 -4.310 -8.197 1.00 0.00 H new ATOM 0 HG23 ILE A 420 -1.138 -2.706 -8.911 1.00 0.00 H new ATOM 0 HD11 ILE A 420 2.466 -0.130 -6.838 1.00 0.00 H new ATOM 0 HD12 ILE A 420 1.480 -0.921 -5.585 1.00 0.00 H new ATOM 0 HD13 ILE A 420 2.682 -1.864 -6.497 1.00 0.00 H new ATOM 202 N CYS A 421 0.159 -3.688 -4.397 1.00 0.00 N ATOM 203 CA CYS A 421 0.329 -4.747 -3.329 1.00 0.00 C ATOM 204 C CYS A 421 1.728 -4.612 -2.681 1.00 0.00 C ATOM 205 O CYS A 421 2.731 -4.899 -3.323 1.00 0.00 O ATOM 206 CB CYS A 421 0.209 -6.148 -3.960 1.00 0.00 C ATOM 207 SG CYS A 421 -0.141 -7.370 -2.670 1.00 0.00 S ATOM 0 H CYS A 421 0.967 -3.075 -4.503 1.00 0.00 H new ATOM 0 HA CYS A 421 -0.445 -4.614 -2.573 1.00 0.00 H new ATOM 0 HB2 CYS A 421 -0.586 -6.155 -4.706 1.00 0.00 H new ATOM 0 HB3 CYS A 421 1.134 -6.405 -4.477 1.00 0.00 H new ATOM 212 N THR A 422 1.788 -4.190 -1.412 1.00 0.00 N ATOM 213 CA THR A 422 3.107 -4.026 -0.662 1.00 0.00 C ATOM 214 C THR A 422 3.959 -2.917 -1.329 1.00 0.00 C ATOM 215 O THR A 422 4.540 -3.119 -2.391 1.00 0.00 O ATOM 216 CB THR A 422 3.878 -5.371 -0.626 1.00 0.00 C ATOM 217 OG1 THR A 422 3.064 -6.372 -0.021 1.00 0.00 O ATOM 218 CG2 THR A 422 5.163 -5.220 0.186 1.00 0.00 C ATOM 0 H THR A 422 0.965 -3.950 -0.860 1.00 0.00 H new ATOM 0 HA THR A 422 2.898 -3.730 0.366 1.00 0.00 H new ATOM 0 HB THR A 422 4.127 -5.660 -1.647 1.00 0.00 H new ATOM 0 HG1 THR A 422 3.552 -7.222 -0.000 1.00 0.00 H new ATOM 0 HG21 THR A 422 5.696 -6.171 0.204 1.00 0.00 H new ATOM 0 HG22 THR A 422 5.795 -4.459 -0.271 1.00 0.00 H new ATOM 0 HG23 THR A 422 4.916 -4.923 1.205 1.00 0.00 H new ATOM 226 N ASP A 423 4.004 -1.741 -0.715 1.00 0.00 N ATOM 227 CA ASP A 423 4.774 -0.584 -1.303 1.00 0.00 C ATOM 228 C ASP A 423 5.499 0.278 -0.231 1.00 0.00 C ATOM 229 O ASP A 423 6.587 0.777 -0.492 1.00 0.00 O ATOM 230 CB ASP A 423 3.785 0.306 -2.075 1.00 0.00 C ATOM 231 CG ASP A 423 3.267 -0.414 -3.331 1.00 0.00 C ATOM 232 OD1 ASP A 423 3.943 -0.354 -4.343 1.00 0.00 O ATOM 233 OD2 ASP A 423 2.193 -1.003 -3.262 1.00 0.00 O ATOM 0 H ASP A 423 3.538 -1.537 0.169 1.00 0.00 H new ATOM 0 HA ASP A 423 5.547 -0.996 -1.952 1.00 0.00 H new ATOM 0 HB2 ASP A 423 2.947 0.570 -1.430 1.00 0.00 H new ATOM 0 HB3 ASP A 423 4.274 1.238 -2.360 1.00 0.00 H new ATOM 238 N ILE A 424 4.901 0.492 0.943 1.00 0.00 N ATOM 239 CA ILE A 424 5.545 1.365 2.011 1.00 0.00 C ATOM 240 C ILE A 424 6.135 0.555 3.195 1.00 0.00 C ATOM 241 O ILE A 424 7.027 1.052 3.873 1.00 0.00 O ATOM 242 CB ILE A 424 4.514 2.387 2.559 1.00 0.00 C ATOM 243 CG1 ILE A 424 3.225 1.679 3.023 1.00 0.00 C ATOM 244 CG2 ILE A 424 4.171 3.403 1.465 1.00 0.00 C ATOM 245 CD1 ILE A 424 2.535 2.506 4.111 1.00 0.00 C ATOM 0 H ILE A 424 3.997 0.099 1.205 1.00 0.00 H new ATOM 0 HA ILE A 424 6.375 1.878 1.524 1.00 0.00 H new ATOM 0 HB ILE A 424 4.956 2.895 3.416 1.00 0.00 H new ATOM 0 HG12 ILE A 424 2.551 1.542 2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 424 3.463 0.686 3.405 1.00 0.00 H new ATOM 0 HG21 ILE A 424 3.447 4.121 1.850 1.00 0.00 H new ATOM 0 HG22 ILE A 424 5.076 3.928 1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 424 3.746 2.883 0.606 1.00 0.00 H new ATOM 0 HD11 ILE A 424 1.626 1.998 4.432 1.00 0.00 H new ATOM 0 HD12 ILE A 424 3.207 2.621 4.962 1.00 0.00 H new ATOM 0 HD13 ILE A 424 2.281 3.489 3.715 1.00 0.00 H new ATOM 257 N ASP A 425 5.650 -0.652 3.460 1.00 0.00 N ATOM 258 CA ASP A 425 6.173 -1.469 4.618 1.00 0.00 C ATOM 259 C ASP A 425 7.189 -2.535 4.132 1.00 0.00 C ATOM 260 O ASP A 425 6.965 -3.741 4.238 1.00 0.00 O ATOM 261 CB ASP A 425 4.974 -2.107 5.354 1.00 0.00 C ATOM 262 CG ASP A 425 4.365 -1.095 6.341 1.00 0.00 C ATOM 263 OD1 ASP A 425 3.640 -0.214 5.899 1.00 0.00 O ATOM 264 OD2 ASP A 425 4.630 -1.221 7.525 1.00 0.00 O ATOM 0 H ASP A 425 4.912 -1.104 2.920 1.00 0.00 H new ATOM 0 HA ASP A 425 6.711 -0.825 5.313 1.00 0.00 H new ATOM 0 HB2 ASP A 425 4.220 -2.423 4.633 1.00 0.00 H new ATOM 0 HB3 ASP A 425 5.298 -3.000 5.889 1.00 0.00 H new ATOM 269 N GLU A 426 8.315 -2.073 3.606 1.00 0.00 N ATOM 270 CA GLU A 426 9.402 -2.989 3.106 1.00 0.00 C ATOM 271 C GLU A 426 10.731 -2.581 3.672 1.00 0.00 C ATOM 272 O GLU A 426 11.652 -2.269 2.918 1.00 0.00 O ATOM 273 CB GLU A 426 9.439 -2.938 1.572 1.00 0.00 C ATOM 274 CG GLU A 426 8.224 -3.692 1.007 1.00 0.00 C ATOM 275 CD GLU A 426 7.198 -2.705 0.437 1.00 0.00 C ATOM 276 OE1 GLU A 426 7.354 -2.310 -0.707 1.00 0.00 O ATOM 277 OE2 GLU A 426 6.260 -2.381 1.146 1.00 0.00 O ATOM 278 OXT GLU A 426 10.914 -2.556 4.993 1.00 0.00 O ATOM 0 H GLU A 426 8.525 -1.080 3.503 1.00 0.00 H new ATOM 0 HA GLU A 426 9.192 -4.008 3.430 1.00 0.00 H new ATOM 0 HB2 GLU A 426 9.429 -1.903 1.231 1.00 0.00 H new ATOM 0 HB3 GLU A 426 10.362 -3.386 1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 426 8.547 -4.381 0.227 1.00 0.00 H new ATOM 0 HG3 GLU A 426 7.763 -4.292 1.792 1.00 0.00 H new TER 286 GLU A 426