USER MOD reduce.3.24.130724 H: found=0, std=0, add=143, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 144 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 312 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 313 SER OG : rot 180:sc= -0.14 USER MOD Single : A 317 GLN : amide:sc= -0.051 X(o=-0.051,f=0) USER MOD Single : A 326 THR OG1 : rot 180:sc= -0.163 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.413 5.230 -4.799 1.00 0.00 N ATOM 2 CA LYS A 312 27.134 5.069 -3.542 1.00 0.00 C ATOM 3 C LYS A 312 27.439 3.599 -3.269 1.00 0.00 C ATOM 4 O LYS A 312 26.536 2.808 -2.998 1.00 0.00 O ATOM 5 CB LYS A 312 26.321 5.655 -2.385 1.00 0.00 C ATOM 6 CG LYS A 312 26.539 7.145 -2.181 1.00 0.00 C ATOM 7 CD LYS A 312 27.683 7.413 -1.217 1.00 0.00 C ATOM 8 CE LYS A 312 27.943 8.903 -1.063 1.00 0.00 C ATOM 9 NZ LYS A 312 29.394 9.202 -0.912 1.00 0.00 N ATOM 0 HA LYS A 312 28.079 5.607 -3.625 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.262 5.473 -2.567 1.00 0.00 H new ATOM 0 HB3 LYS A 312 26.581 5.129 -1.466 1.00 0.00 H new ATOM 0 HG2 LYS A 312 26.752 7.617 -3.140 1.00 0.00 H new ATOM 0 HG3 LYS A 312 25.625 7.599 -1.798 1.00 0.00 H new ATOM 0 HD2 LYS A 312 27.449 6.981 -0.244 1.00 0.00 H new ATOM 0 HD3 LYS A 312 28.586 6.920 -1.576 1.00 0.00 H new ATOM 0 HE2 LYS A 312 27.552 9.431 -1.933 1.00 0.00 H new ATOM 0 HE3 LYS A 312 27.403 9.278 -0.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 29.528 10.228 -0.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 29.762 8.719 -0.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 29.907 8.868 -1.753 1.00 0.00 H new ATOM 23 N SER A 313 28.717 3.243 -3.343 1.00 0.00 N ATOM 24 CA SER A 313 29.143 1.868 -3.103 1.00 0.00 C ATOM 25 C SER A 313 30.554 1.831 -2.527 1.00 0.00 C ATOM 26 O SER A 313 31.536 1.990 -3.252 1.00 0.00 O ATOM 27 CB SER A 313 29.087 1.060 -4.401 1.00 0.00 C ATOM 28 OG SER A 313 27.896 1.331 -5.121 1.00 0.00 O ATOM 0 H SER A 313 29.476 3.887 -3.567 1.00 0.00 H new ATOM 0 HA SER A 313 28.461 1.423 -2.378 1.00 0.00 H new ATOM 0 HB2 SER A 313 29.952 1.300 -5.020 1.00 0.00 H new ATOM 0 HB3 SER A 313 29.143 -0.004 -4.173 1.00 0.00 H new ATOM 0 HG SER A 313 27.886 0.803 -5.947 1.00 0.00 H new ATOM 34 N ILE A 314 30.648 1.623 -1.217 1.00 0.00 N ATOM 35 CA ILE A 314 31.942 1.568 -0.543 1.00 0.00 C ATOM 36 C ILE A 314 32.411 0.132 -0.366 1.00 0.00 C ATOM 37 O ILE A 314 31.614 -0.805 -0.408 1.00 0.00 O ATOM 38 CB ILE A 314 31.901 2.235 0.848 1.00 0.00 C ATOM 39 CG1 ILE A 314 30.892 3.385 0.875 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.287 2.730 1.238 1.00 0.00 C ATOM 41 CD1 ILE A 314 31.142 4.435 -0.186 1.00 0.00 C ATOM 0 H ILE A 314 29.845 1.490 -0.602 1.00 0.00 H new ATOM 0 HA ILE A 314 32.637 2.113 -1.182 1.00 0.00 H new ATOM 0 HB ILE A 314 31.580 1.489 1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 314 29.889 2.980 0.744 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.919 3.858 1.856 1.00 0.00 H new ATOM 0 HG21 ILE A 314 33.243 3.198 2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 314 33.979 1.888 1.268 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.633 3.458 0.505 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.389 5.219 -0.107 1.00 0.00 H new ATOM 0 HD12 ILE A 314 32.132 4.868 -0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 314 31.085 3.976 -1.173 1.00 0.00 H new ATOM 53 N ARG A 315 33.711 -0.030 -0.151 1.00 0.00 N ATOM 54 CA ARG A 315 34.293 -1.348 0.052 1.00 0.00 C ATOM 55 C ARG A 315 35.295 -1.310 1.200 1.00 0.00 C ATOM 56 O ARG A 315 36.505 -1.238 0.981 1.00 0.00 O ATOM 57 CB ARG A 315 34.974 -1.837 -1.227 1.00 0.00 C ATOM 58 CG ARG A 315 34.040 -2.582 -2.166 1.00 0.00 C ATOM 59 CD ARG A 315 34.694 -3.833 -2.730 1.00 0.00 C ATOM 60 NE ARG A 315 34.790 -4.898 -1.734 1.00 0.00 N ATOM 61 CZ ARG A 315 34.984 -6.180 -2.036 1.00 0.00 C ATOM 62 NH1 ARG A 315 35.102 -6.560 -3.302 1.00 0.00 N ATOM 63 NH2 ARG A 315 35.058 -7.084 -1.069 1.00 0.00 N ATOM 0 H ARG A 315 34.382 0.737 -0.113 1.00 0.00 H new ATOM 0 HA ARG A 315 33.493 -2.044 0.306 1.00 0.00 H new ATOM 0 HB2 ARG A 315 35.398 -0.982 -1.753 1.00 0.00 H new ATOM 0 HB3 ARG A 315 35.804 -2.491 -0.960 1.00 0.00 H new ATOM 0 HG2 ARG A 315 33.129 -2.856 -1.633 1.00 0.00 H new ATOM 0 HG3 ARG A 315 33.745 -1.925 -2.984 1.00 0.00 H new ATOM 0 HD2 ARG A 315 34.120 -4.188 -3.586 1.00 0.00 H new ATOM 0 HD3 ARG A 315 35.691 -3.587 -3.095 1.00 0.00 H new ATOM 0 HE ARG A 315 34.703 -4.644 -0.750 1.00 0.00 H new ATOM 0 HH11 ARG A 315 35.044 -5.868 -4.050 1.00 0.00 H new ATOM 0 HH12 ARG A 315 35.251 -7.544 -3.528 1.00 0.00 H new ATOM 0 HH21 ARG A 315 34.966 -6.797 -0.095 1.00 0.00 H new ATOM 0 HH22 ARG A 315 35.207 -8.066 -1.300 1.00 0.00 H new ATOM 77 N ILE A 316 34.779 -1.350 2.423 1.00 0.00 N ATOM 78 CA ILE A 316 35.623 -1.311 3.612 1.00 0.00 C ATOM 79 C ILE A 316 35.483 -2.587 4.434 1.00 0.00 C ATOM 80 O ILE A 316 34.381 -2.962 4.836 1.00 0.00 O ATOM 81 CB ILE A 316 35.285 -0.100 4.502 1.00 0.00 C ATOM 82 CG1 ILE A 316 33.778 0.148 4.528 1.00 0.00 C ATOM 83 CG2 ILE A 316 36.020 1.138 4.009 1.00 0.00 C ATOM 84 CD1 ILE A 316 33.380 1.297 5.421 1.00 0.00 C ATOM 0 H ILE A 316 33.780 -1.409 2.618 1.00 0.00 H new ATOM 0 HA ILE A 316 36.652 -1.221 3.263 1.00 0.00 H new ATOM 0 HB ILE A 316 35.612 -0.318 5.519 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.432 0.348 3.514 1.00 0.00 H new ATOM 0 HG13 ILE A 316 33.273 -0.757 4.865 1.00 0.00 H new ATOM 0 HG21 ILE A 316 35.772 1.986 4.647 1.00 0.00 H new ATOM 0 HG22 ILE A 316 37.095 0.960 4.043 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.720 1.355 2.984 1.00 0.00 H new ATOM 0 HD11 ILE A 316 32.297 1.420 5.395 1.00 0.00 H new ATOM 0 HD12 ILE A 316 33.697 1.090 6.443 1.00 0.00 H new ATOM 0 HD13 ILE A 316 33.858 2.212 5.071 1.00 0.00 H new ATOM 96 N GLN A 317 36.608 -3.249 4.684 1.00 0.00 N ATOM 97 CA GLN A 317 36.615 -4.483 5.459 1.00 0.00 C ATOM 98 C GLN A 317 37.488 -4.336 6.702 1.00 0.00 C ATOM 99 O GLN A 317 38.383 -3.494 6.747 1.00 0.00 O ATOM 100 CB GLN A 317 37.118 -5.646 4.603 1.00 0.00 C ATOM 101 CG GLN A 317 36.373 -5.799 3.286 1.00 0.00 C ATOM 102 CD GLN A 317 37.289 -5.694 2.082 1.00 0.00 C ATOM 103 OE1 GLN A 317 37.466 -6.658 1.336 1.00 0.00 O ATOM 104 NE2 GLN A 317 37.876 -4.519 1.885 1.00 0.00 N ATOM 0 H GLN A 317 37.528 -2.950 4.360 1.00 0.00 H new ATOM 0 HA GLN A 317 35.593 -4.691 5.775 1.00 0.00 H new ATOM 0 HB2 GLN A 317 38.179 -5.502 4.396 1.00 0.00 H new ATOM 0 HB3 GLN A 317 37.027 -6.571 5.172 1.00 0.00 H new ATOM 0 HG2 GLN A 317 35.866 -6.764 3.269 1.00 0.00 H new ATOM 0 HG3 GLN A 317 35.601 -5.033 3.218 1.00 0.00 H new ATOM 0 HE21 GLN A 317 37.701 -3.747 2.528 1.00 0.00 H new ATOM 0 HE22 GLN A 317 38.502 -4.388 1.090 1.00 0.00 H new ATOM 113 N ARG A 318 37.220 -5.162 7.708 1.00 0.00 N ATOM 114 CA ARG A 318 37.982 -5.122 8.952 1.00 0.00 C ATOM 115 C ARG A 318 39.186 -6.055 8.883 1.00 0.00 C ATOM 116 O ARG A 318 39.296 -6.878 7.974 1.00 0.00 O ATOM 117 CB ARG A 318 37.088 -5.507 10.133 1.00 0.00 C ATOM 118 CG ARG A 318 36.490 -4.312 10.859 1.00 0.00 C ATOM 119 CD ARG A 318 35.652 -3.455 9.924 1.00 0.00 C ATOM 120 NE ARG A 318 34.255 -3.883 9.894 1.00 0.00 N ATOM 121 CZ ARG A 318 33.415 -3.744 10.916 1.00 0.00 C ATOM 122 NH1 ARG A 318 33.824 -3.189 12.050 1.00 0.00 N ATOM 123 NH2 ARG A 318 32.160 -4.159 10.804 1.00 0.00 N ATOM 0 H ARG A 318 36.482 -5.866 7.687 1.00 0.00 H new ATOM 0 HA ARG A 318 38.344 -4.104 9.096 1.00 0.00 H new ATOM 0 HB2 ARG A 318 36.280 -6.145 9.774 1.00 0.00 H new ATOM 0 HB3 ARG A 318 37.670 -6.098 10.841 1.00 0.00 H new ATOM 0 HG2 ARG A 318 35.872 -4.660 11.687 1.00 0.00 H new ATOM 0 HG3 ARG A 318 37.289 -3.709 11.289 1.00 0.00 H new ATOM 0 HD2 ARG A 318 35.705 -2.414 10.241 1.00 0.00 H new ATOM 0 HD3 ARG A 318 36.068 -3.503 8.918 1.00 0.00 H new ATOM 0 HE ARG A 318 33.903 -4.314 9.039 1.00 0.00 H new ATOM 0 HH11 ARG A 318 34.787 -2.866 12.141 1.00 0.00 H new ATOM 0 HH12 ARG A 318 33.175 -3.085 12.830 1.00 0.00 H new ATOM 0 HH21 ARG A 318 31.839 -4.585 9.934 1.00 0.00 H new ATOM 0 HH22 ARG A 318 31.516 -4.052 11.588 1.00 0.00 H new ATOM 137 N GLY A 319 40.088 -5.921 9.851 1.00 0.00 N ATOM 138 CA GLY A 319 41.273 -6.757 9.883 1.00 0.00 C ATOM 139 C GLY A 319 42.554 -5.945 9.946 1.00 0.00 C ATOM 140 O GLY A 319 42.607 -4.828 9.431 1.00 0.00 O ATOM 0 H GLY A 319 40.018 -5.248 10.614 1.00 0.00 H new ATOM 0 HA2 GLY A 319 41.223 -7.420 10.747 1.00 0.00 H new ATOM 0 HA3 GLY A 319 41.291 -7.391 8.996 1.00 0.00 H new ATOM 144 N PRO A 320 43.613 -6.485 10.573 1.00 0.00 N ATOM 145 CA PRO A 320 44.899 -5.790 10.692 1.00 0.00 C ATOM 146 C PRO A 320 45.553 -5.548 9.336 1.00 0.00 C ATOM 147 O PRO A 320 46.333 -4.611 9.171 1.00 0.00 O ATOM 148 CB PRO A 320 45.753 -6.744 11.535 1.00 0.00 C ATOM 149 CG PRO A 320 45.110 -8.079 11.377 1.00 0.00 C ATOM 150 CD PRO A 320 43.641 -7.812 11.212 1.00 0.00 C ATOM 0 HA PRO A 320 44.784 -4.801 11.136 1.00 0.00 H new ATOM 0 HB2 PRO A 320 46.786 -6.760 11.188 1.00 0.00 H new ATOM 0 HB3 PRO A 320 45.773 -6.437 12.581 1.00 0.00 H new ATOM 0 HG2 PRO A 320 45.511 -8.605 10.511 1.00 0.00 H new ATOM 0 HG3 PRO A 320 45.297 -8.708 12.247 1.00 0.00 H new ATOM 0 HD2 PRO A 320 43.161 -8.569 10.591 1.00 0.00 H new ATOM 0 HD3 PRO A 320 43.122 -7.809 12.170 1.00 0.00 H new ATOM 158 N GLY A 321 45.230 -6.400 8.368 1.00 0.00 N ATOM 159 CA GLY A 321 45.795 -6.260 7.039 1.00 0.00 C ATOM 160 C GLY A 321 44.741 -5.967 5.988 1.00 0.00 C ATOM 161 O GLY A 321 44.913 -6.307 4.817 1.00 0.00 O ATOM 0 H GLY A 321 44.588 -7.184 8.480 1.00 0.00 H new ATOM 0 HA2 GLY A 321 46.532 -5.457 7.044 1.00 0.00 H new ATOM 0 HA3 GLY A 321 46.323 -7.176 6.774 1.00 0.00 H new ATOM 165 N ARG A 322 43.648 -5.336 6.407 1.00 0.00 N ATOM 166 CA ARG A 322 42.564 -4.999 5.493 1.00 0.00 C ATOM 167 C ARG A 322 42.615 -3.524 5.108 1.00 0.00 C ATOM 168 O ARG A 322 42.832 -2.658 5.956 1.00 0.00 O ATOM 169 CB ARG A 322 41.211 -5.332 6.129 1.00 0.00 C ATOM 170 CG ARG A 322 40.359 -6.267 5.288 1.00 0.00 C ATOM 171 CD ARG A 322 41.035 -7.615 5.098 1.00 0.00 C ATOM 172 NE ARG A 322 41.749 -7.695 3.826 1.00 0.00 N ATOM 173 CZ ARG A 322 42.695 -8.593 3.562 1.00 0.00 C ATOM 174 NH1 ARG A 322 43.042 -9.490 4.477 1.00 0.00 N ATOM 175 NH2 ARG A 322 43.295 -8.597 2.380 1.00 0.00 N ATOM 0 H ARG A 322 43.491 -5.048 7.373 1.00 0.00 H new ATOM 0 HA ARG A 322 42.686 -5.593 4.587 1.00 0.00 H new ATOM 0 HB2 ARG A 322 41.380 -5.787 7.105 1.00 0.00 H new ATOM 0 HB3 ARG A 322 40.661 -4.406 6.299 1.00 0.00 H new ATOM 0 HG2 ARG A 322 39.390 -6.409 5.767 1.00 0.00 H new ATOM 0 HG3 ARG A 322 40.170 -5.813 4.315 1.00 0.00 H new ATOM 0 HD2 ARG A 322 41.733 -7.789 5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 322 40.286 -8.406 5.144 1.00 0.00 H new ATOM 0 HE ARG A 322 41.508 -7.023 3.097 1.00 0.00 H new ATOM 0 HH11 ARG A 322 42.583 -9.493 5.388 1.00 0.00 H new ATOM 0 HH12 ARG A 322 43.768 -10.176 4.269 1.00 0.00 H new ATOM 0 HH21 ARG A 322 43.032 -7.911 1.672 1.00 0.00 H new ATOM 0 HH22 ARG A 322 44.020 -9.286 2.178 1.00 0.00 H new ATOM 189 N ALA A 323 42.414 -3.245 3.823 1.00 0.00 N ATOM 190 CA ALA A 323 42.437 -1.876 3.324 1.00 0.00 C ATOM 191 C ALA A 323 41.031 -1.286 3.278 1.00 0.00 C ATOM 192 O ALA A 323 40.043 -1.998 3.457 1.00 0.00 O ATOM 193 CB ALA A 323 43.078 -1.827 1.946 1.00 0.00 C ATOM 0 H ALA A 323 42.233 -3.951 3.109 1.00 0.00 H new ATOM 0 HA ALA A 323 43.033 -1.275 4.010 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.088 -0.798 1.586 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.100 -2.200 2.007 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.506 -2.447 1.256 1.00 0.00 H new ATOM 199 N PHE A 324 40.950 0.019 3.037 1.00 0.00 N ATOM 200 CA PHE A 324 39.664 0.703 2.968 1.00 0.00 C ATOM 201 C PHE A 324 39.524 1.466 1.655 1.00 0.00 C ATOM 202 O PHE A 324 40.198 2.473 1.436 1.00 0.00 O ATOM 203 CB PHE A 324 39.509 1.663 4.148 1.00 0.00 C ATOM 204 CG PHE A 324 39.501 0.975 5.484 1.00 0.00 C ATOM 205 CD1 PHE A 324 38.555 0.005 5.774 1.00 0.00 C ATOM 206 CD2 PHE A 324 40.441 1.299 6.450 1.00 0.00 C ATOM 207 CE1 PHE A 324 38.547 -0.629 7.002 1.00 0.00 C ATOM 208 CE2 PHE A 324 40.438 0.669 7.679 1.00 0.00 C ATOM 209 CZ PHE A 324 39.489 -0.296 7.956 1.00 0.00 C ATOM 0 H PHE A 324 41.758 0.623 2.887 1.00 0.00 H new ATOM 0 HA PHE A 324 38.877 -0.050 3.016 1.00 0.00 H new ATOM 0 HB2 PHE A 324 40.323 2.387 4.126 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.581 2.223 4.031 1.00 0.00 H new ATOM 0 HD1 PHE A 324 37.816 -0.259 5.032 1.00 0.00 H new ATOM 0 HD2 PHE A 324 41.185 2.053 6.239 1.00 0.00 H new ATOM 0 HE1 PHE A 324 37.805 -1.384 7.216 1.00 0.00 H new ATOM 0 HE2 PHE A 324 41.176 0.930 8.422 1.00 0.00 H new ATOM 0 HZ PHE A 324 39.484 -0.789 8.917 1.00 0.00 H new ATOM 219 N VAL A 325 38.645 0.980 0.784 1.00 0.00 N ATOM 220 CA VAL A 325 38.414 1.615 -0.507 1.00 0.00 C ATOM 221 C VAL A 325 36.958 2.047 -0.653 1.00 0.00 C ATOM 222 O VAL A 325 36.102 1.652 0.138 1.00 0.00 O ATOM 223 CB VAL A 325 38.776 0.672 -1.670 1.00 0.00 C ATOM 224 CG1 VAL A 325 40.282 0.636 -1.879 1.00 0.00 C ATOM 225 CG2 VAL A 325 38.233 -0.726 -1.415 1.00 0.00 C ATOM 0 H VAL A 325 38.081 0.147 0.950 1.00 0.00 H new ATOM 0 HA VAL A 325 39.058 2.493 -0.548 1.00 0.00 H new ATOM 0 HB VAL A 325 38.314 1.055 -2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 325 40.519 -0.035 -2.704 1.00 0.00 H new ATOM 0 HG12 VAL A 325 40.641 1.638 -2.112 1.00 0.00 H new ATOM 0 HG13 VAL A 325 40.767 0.279 -0.970 1.00 0.00 H new ATOM 0 HG21 VAL A 325 38.499 -1.377 -2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 325 38.662 -1.121 -0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 325 37.148 -0.683 -1.320 1.00 0.00 H new ATOM 235 N THR A 326 36.684 2.858 -1.670 1.00 0.00 N ATOM 236 CA THR A 326 35.332 3.340 -1.916 1.00 0.00 C ATOM 237 C THR A 326 35.102 3.593 -3.403 1.00 0.00 C ATOM 238 O THR A 326 36.032 3.921 -4.140 1.00 0.00 O ATOM 239 CB THR A 326 35.066 4.620 -1.122 1.00 0.00 C ATOM 240 OG1 THR A 326 33.931 5.300 -1.630 1.00 0.00 O ATOM 241 CG2 THR A 326 36.228 5.591 -1.140 1.00 0.00 C ATOM 0 H THR A 326 37.380 3.194 -2.335 1.00 0.00 H new ATOM 0 HA THR A 326 34.637 2.567 -1.586 1.00 0.00 H new ATOM 0 HB THR A 326 34.904 4.292 -0.095 1.00 0.00 H new ATOM 0 HG1 THR A 326 33.777 6.115 -1.108 1.00 0.00 H new ATOM 0 HG21 THR A 326 35.972 6.476 -0.558 1.00 0.00 H new ATOM 0 HG22 THR A 326 37.107 5.114 -0.707 1.00 0.00 H new ATOM 0 HG23 THR A 326 36.443 5.882 -2.168 1.00 0.00 H new ATOM 249 N ILE A 327 33.855 3.438 -3.834 1.00 0.00 N ATOM 250 CA ILE A 327 33.492 3.651 -5.230 1.00 0.00 C ATOM 251 C ILE A 327 32.224 4.491 -5.342 1.00 0.00 C ATOM 252 O ILE A 327 31.299 4.345 -4.543 1.00 0.00 O ATOM 253 CB ILE A 327 33.275 2.314 -5.969 1.00 0.00 C ATOM 254 CG1 ILE A 327 34.484 1.393 -5.780 1.00 0.00 C ATOM 255 CG2 ILE A 327 33.016 2.560 -7.449 1.00 0.00 C ATOM 256 CD1 ILE A 327 34.154 0.106 -5.054 1.00 0.00 C ATOM 0 H ILE A 327 33.076 3.165 -3.234 1.00 0.00 H new ATOM 0 HA ILE A 327 34.323 4.182 -5.695 1.00 0.00 H new ATOM 0 HB ILE A 327 32.400 1.823 -5.543 1.00 0.00 H new ATOM 0 HG12 ILE A 327 34.904 1.153 -6.757 1.00 0.00 H new ATOM 0 HG13 ILE A 327 35.255 1.927 -5.224 1.00 0.00 H new ATOM 0 HG21 ILE A 327 32.865 1.607 -7.955 1.00 0.00 H new ATOM 0 HG22 ILE A 327 32.125 3.177 -7.565 1.00 0.00 H new ATOM 0 HG23 ILE A 327 33.872 3.072 -7.888 1.00 0.00 H new ATOM 0 HD11 ILE A 327 35.056 -0.498 -4.955 1.00 0.00 H new ATOM 0 HD12 ILE A 327 33.762 0.337 -4.064 1.00 0.00 H new ATOM 0 HD13 ILE A 327 33.406 -0.449 -5.620 1.00 0.00 H new ATOM 268 N GLY A 328 32.187 5.370 -6.338 1.00 0.00 N ATOM 269 CA GLY A 328 31.025 6.219 -6.531 1.00 0.00 C ATOM 270 C GLY A 328 31.193 7.181 -7.692 1.00 0.00 C ATOM 271 O GLY A 328 32.162 7.092 -8.445 1.00 0.00 O ATOM 0 H GLY A 328 32.938 5.510 -7.013 1.00 0.00 H new ATOM 0 HA2 GLY A 328 30.148 5.595 -6.705 1.00 0.00 H new ATOM 0 HA3 GLY A 328 30.838 6.785 -5.619 1.00 0.00 H new