USER MOD reduce.3.24.130724 H: found=0, std=0, add=143, rem=0, adj=3 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+ -176:sc= 0 (180deg=-0.0118) USER MOD Single : A 313 SER OG : rot 180:sc= 0.00895 USER MOD Single : A 317 GLN : amide:sc= -0.698 K(o=-0.7,f=-0.082) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.718 6.376 -3.923 1.00 0.00 N ATOM 2 CA LYS A 312 27.453 6.131 -2.688 1.00 0.00 C ATOM 3 C LYS A 312 27.804 4.654 -2.546 1.00 0.00 C ATOM 4 O LYS A 312 26.923 3.811 -2.368 1.00 0.00 O ATOM 5 CB LYS A 312 26.633 6.592 -1.481 1.00 0.00 C ATOM 6 CG LYS A 312 26.425 8.096 -1.427 1.00 0.00 C ATOM 7 CD LYS A 312 27.629 8.804 -0.826 1.00 0.00 C ATOM 8 CE LYS A 312 27.281 10.216 -0.381 1.00 0.00 C ATOM 9 NZ LYS A 312 26.850 11.067 -1.523 1.00 0.00 N ATOM 0 HA LYS A 312 28.380 6.703 -2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.661 6.100 -1.503 1.00 0.00 H new ATOM 0 HB3 LYS A 312 27.133 6.270 -0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 312 26.243 8.475 -2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 312 25.537 8.321 -0.836 1.00 0.00 H new ATOM 0 HD2 LYS A 312 28.000 8.234 0.026 1.00 0.00 H new ATOM 0 HD3 LYS A 312 28.434 8.841 -1.560 1.00 0.00 H new ATOM 0 HE2 LYS A 312 26.485 10.176 0.363 1.00 0.00 H new ATOM 0 HE3 LYS A 312 28.147 10.668 0.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 26.687 12.039 -1.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 27.591 11.071 -2.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 25.970 10.687 -1.926 1.00 0.00 H new ATOM 23 N SER A 313 29.094 4.347 -2.625 1.00 0.00 N ATOM 24 CA SER A 313 29.562 2.971 -2.505 1.00 0.00 C ATOM 25 C SER A 313 30.914 2.917 -1.801 1.00 0.00 C ATOM 26 O SER A 313 31.846 3.631 -2.170 1.00 0.00 O ATOM 27 CB SER A 313 29.668 2.324 -3.887 1.00 0.00 C ATOM 28 OG SER A 313 29.436 0.928 -3.817 1.00 0.00 O ATOM 0 H SER A 313 29.835 5.033 -2.772 1.00 0.00 H new ATOM 0 HA SER A 313 28.838 2.418 -1.907 1.00 0.00 H new ATOM 0 HB2 SER A 313 28.946 2.782 -4.563 1.00 0.00 H new ATOM 0 HB3 SER A 313 30.658 2.511 -4.304 1.00 0.00 H new ATOM 0 HG SER A 313 29.508 0.539 -4.714 1.00 0.00 H new ATOM 34 N ILE A 314 31.013 2.068 -0.784 1.00 0.00 N ATOM 35 CA ILE A 314 32.253 1.924 -0.028 1.00 0.00 C ATOM 36 C ILE A 314 32.751 0.485 -0.051 1.00 0.00 C ATOM 37 O ILE A 314 31.987 -0.445 -0.311 1.00 0.00 O ATOM 38 CB ILE A 314 32.087 2.351 1.445 1.00 0.00 C ATOM 39 CG1 ILE A 314 31.047 3.464 1.580 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.424 2.799 2.017 1.00 0.00 C ATOM 41 CD1 ILE A 314 31.354 4.684 0.740 1.00 0.00 C ATOM 0 H ILE A 314 30.251 1.470 -0.464 1.00 0.00 H new ATOM 0 HA ILE A 314 32.977 2.578 -0.513 1.00 0.00 H new ATOM 0 HB ILE A 314 31.733 1.490 2.012 1.00 0.00 H new ATOM 0 HG12 ILE A 314 30.070 3.074 1.295 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.979 3.761 2.626 1.00 0.00 H new ATOM 0 HG21 ILE A 314 33.293 3.098 3.057 1.00 0.00 H new ATOM 0 HG22 ILE A 314 34.137 1.976 1.963 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.801 3.644 1.441 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.574 5.432 0.886 1.00 0.00 H new ATOM 0 HD12 ILE A 314 32.316 5.100 1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 314 31.393 4.401 -0.312 1.00 0.00 H new ATOM 53 N ARG A 315 34.033 0.311 0.237 1.00 0.00 N ATOM 54 CA ARG A 315 34.637 -1.012 0.266 1.00 0.00 C ATOM 55 C ARG A 315 35.534 -1.158 1.489 1.00 0.00 C ATOM 56 O ARG A 315 36.754 -1.028 1.398 1.00 0.00 O ATOM 57 CB ARG A 315 35.444 -1.261 -1.010 1.00 0.00 C ATOM 58 CG ARG A 315 35.403 -2.707 -1.481 1.00 0.00 C ATOM 59 CD ARG A 315 34.802 -2.829 -2.873 1.00 0.00 C ATOM 60 NE ARG A 315 33.340 -2.792 -2.843 1.00 0.00 N ATOM 61 CZ ARG A 315 32.611 -1.716 -3.138 1.00 0.00 C ATOM 62 NH1 ARG A 315 33.196 -0.577 -3.493 1.00 0.00 N ATOM 63 NH2 ARG A 315 31.287 -1.781 -3.080 1.00 0.00 N ATOM 0 H ARG A 315 34.676 1.072 0.454 1.00 0.00 H new ATOM 0 HA ARG A 315 33.839 -1.753 0.324 1.00 0.00 H new ATOM 0 HB2 ARG A 315 35.063 -0.618 -1.803 1.00 0.00 H new ATOM 0 HB3 ARG A 315 36.481 -0.973 -0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 315 36.413 -3.118 -1.483 1.00 0.00 H new ATOM 0 HG3 ARG A 315 34.819 -3.302 -0.779 1.00 0.00 H new ATOM 0 HD2 ARG A 315 35.173 -2.018 -3.500 1.00 0.00 H new ATOM 0 HD3 ARG A 315 35.132 -3.762 -3.330 1.00 0.00 H new ATOM 0 HE ARG A 315 32.847 -3.645 -2.579 1.00 0.00 H new ATOM 0 HH11 ARG A 315 34.213 -0.520 -3.542 1.00 0.00 H new ATOM 0 HH12 ARG A 315 32.628 0.240 -3.717 1.00 0.00 H new ATOM 0 HH21 ARG A 315 30.830 -2.652 -2.810 1.00 0.00 H new ATOM 0 HH22 ARG A 315 30.726 -0.960 -3.305 1.00 0.00 H new ATOM 77 N ILE A 316 34.916 -1.417 2.636 1.00 0.00 N ATOM 78 CA ILE A 316 35.652 -1.570 3.884 1.00 0.00 C ATOM 79 C ILE A 316 35.494 -2.976 4.454 1.00 0.00 C ATOM 80 O ILE A 316 34.381 -3.487 4.574 1.00 0.00 O ATOM 81 CB ILE A 316 35.191 -0.546 4.938 1.00 0.00 C ATOM 82 CG1 ILE A 316 33.682 -0.321 4.846 1.00 0.00 C ATOM 83 CG2 ILE A 316 35.938 0.768 4.761 1.00 0.00 C ATOM 84 CD1 ILE A 316 33.163 0.659 5.871 1.00 0.00 C ATOM 0 H ILE A 316 33.906 -1.525 2.727 1.00 0.00 H new ATOM 0 HA ILE A 316 36.702 -1.394 3.651 1.00 0.00 H new ATOM 0 HB ILE A 316 35.418 -0.943 5.927 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.436 0.042 3.848 1.00 0.00 H new ATOM 0 HG13 ILE A 316 33.170 -1.275 4.973 1.00 0.00 H new ATOM 0 HG21 ILE A 316 35.602 1.482 5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 316 37.008 0.597 4.877 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.740 1.168 3.767 1.00 0.00 H new ATOM 0 HD11 ILE A 316 32.086 0.774 5.752 1.00 0.00 H new ATOM 0 HD12 ILE A 316 33.380 0.287 6.872 1.00 0.00 H new ATOM 0 HD13 ILE A 316 33.649 1.625 5.730 1.00 0.00 H new ATOM 96 N GLN A 317 36.618 -3.594 4.806 1.00 0.00 N ATOM 97 CA GLN A 317 36.608 -4.941 5.364 1.00 0.00 C ATOM 98 C GLN A 317 37.636 -5.071 6.483 1.00 0.00 C ATOM 99 O GLN A 317 38.666 -4.396 6.475 1.00 0.00 O ATOM 100 CB GLN A 317 36.893 -5.972 4.271 1.00 0.00 C ATOM 101 CG GLN A 317 35.903 -5.927 3.119 1.00 0.00 C ATOM 102 CD GLN A 317 36.549 -5.519 1.808 1.00 0.00 C ATOM 103 OE1 GLN A 317 36.250 -6.081 0.755 1.00 0.00 O ATOM 104 NE2 GLN A 317 37.441 -4.538 1.869 1.00 0.00 N ATOM 0 H GLN A 317 37.547 -3.183 4.714 1.00 0.00 H new ATOM 0 HA GLN A 317 35.618 -5.129 5.779 1.00 0.00 H new ATOM 0 HB2 GLN A 317 37.898 -5.808 3.882 1.00 0.00 H new ATOM 0 HB3 GLN A 317 36.880 -6.969 4.711 1.00 0.00 H new ATOM 0 HG2 GLN A 317 35.442 -6.908 3.003 1.00 0.00 H new ATOM 0 HG3 GLN A 317 35.104 -5.226 3.359 1.00 0.00 H new ATOM 0 HE21 GLN A 317 37.658 -4.101 2.765 1.00 0.00 H new ATOM 0 HE22 GLN A 317 37.910 -4.221 1.020 1.00 0.00 H new ATOM 113 N ARG A 318 37.350 -5.941 7.446 1.00 0.00 N ATOM 114 CA ARG A 318 38.250 -6.158 8.573 1.00 0.00 C ATOM 115 C ARG A 318 38.860 -7.555 8.521 1.00 0.00 C ATOM 116 O ARG A 318 38.143 -8.555 8.481 1.00 0.00 O ATOM 117 CB ARG A 318 37.504 -5.963 9.893 1.00 0.00 C ATOM 118 CG ARG A 318 36.204 -6.746 9.979 1.00 0.00 C ATOM 119 CD ARG A 318 35.716 -6.860 11.414 1.00 0.00 C ATOM 120 NE ARG A 318 35.370 -5.558 11.979 1.00 0.00 N ATOM 121 CZ ARG A 318 35.262 -5.321 13.285 1.00 0.00 C ATOM 122 NH1 ARG A 318 35.471 -6.296 14.162 1.00 0.00 N ATOM 123 NH2 ARG A 318 34.945 -4.108 13.715 1.00 0.00 N ATOM 0 H ARG A 318 36.502 -6.507 7.469 1.00 0.00 H new ATOM 0 HA ARG A 318 39.056 -5.427 8.508 1.00 0.00 H new ATOM 0 HB2 ARG A 318 38.154 -6.262 10.715 1.00 0.00 H new ATOM 0 HB3 ARG A 318 37.289 -4.903 10.026 1.00 0.00 H new ATOM 0 HG2 ARG A 318 35.442 -6.256 9.372 1.00 0.00 H new ATOM 0 HG3 ARG A 318 36.350 -7.743 9.563 1.00 0.00 H new ATOM 0 HD2 ARG A 318 34.845 -7.514 11.450 1.00 0.00 H new ATOM 0 HD3 ARG A 318 36.490 -7.326 12.024 1.00 0.00 H new ATOM 0 HE ARG A 318 35.201 -4.785 11.335 1.00 0.00 H new ATOM 0 HH11 ARG A 318 35.715 -7.231 13.836 1.00 0.00 H new ATOM 0 HH12 ARG A 318 35.387 -6.110 15.161 1.00 0.00 H new ATOM 0 HH21 ARG A 318 34.784 -3.356 13.046 1.00 0.00 H new ATOM 0 HH22 ARG A 318 34.862 -3.927 14.715 1.00 0.00 H new ATOM 137 N GLY A 319 40.188 -7.615 8.523 1.00 0.00 N ATOM 138 CA GLY A 319 40.872 -8.895 8.477 1.00 0.00 C ATOM 139 C GLY A 319 42.277 -8.781 7.917 1.00 0.00 C ATOM 140 O GLY A 319 42.614 -7.784 7.278 1.00 0.00 O ATOM 0 H GLY A 319 40.802 -6.801 8.556 1.00 0.00 H new ATOM 0 HA2 GLY A 319 40.917 -9.316 9.482 1.00 0.00 H new ATOM 0 HA3 GLY A 319 40.296 -9.590 7.866 1.00 0.00 H new ATOM 144 N PRO A 320 43.129 -9.796 8.141 1.00 0.00 N ATOM 145 CA PRO A 320 44.510 -9.794 7.647 1.00 0.00 C ATOM 146 C PRO A 320 44.590 -9.503 6.153 1.00 0.00 C ATOM 147 O PRO A 320 44.358 -10.384 5.326 1.00 0.00 O ATOM 148 CB PRO A 320 44.997 -11.213 7.943 1.00 0.00 C ATOM 149 CG PRO A 320 44.156 -11.674 9.082 1.00 0.00 C ATOM 150 CD PRO A 320 42.813 -11.025 8.894 1.00 0.00 C ATOM 0 HA PRO A 320 45.110 -9.017 8.120 1.00 0.00 H new ATOM 0 HB2 PRO A 320 44.877 -11.861 7.075 1.00 0.00 H new ATOM 0 HB3 PRO A 320 46.055 -11.222 8.204 1.00 0.00 H new ATOM 0 HG2 PRO A 320 44.067 -12.760 9.087 1.00 0.00 H new ATOM 0 HG3 PRO A 320 44.599 -11.386 10.036 1.00 0.00 H new ATOM 0 HD2 PRO A 320 42.129 -11.670 8.342 1.00 0.00 H new ATOM 0 HD3 PRO A 320 42.338 -10.800 9.849 1.00 0.00 H new ATOM 158 N GLY A 321 44.920 -8.260 5.814 1.00 0.00 N ATOM 159 CA GLY A 321 45.025 -7.876 4.419 1.00 0.00 C ATOM 160 C GLY A 321 43.754 -7.235 3.896 1.00 0.00 C ATOM 161 O GLY A 321 43.457 -7.313 2.704 1.00 0.00 O ATOM 0 H GLY A 321 45.116 -7.513 6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 321 45.855 -7.180 4.299 1.00 0.00 H new ATOM 0 HA3 GLY A 321 45.257 -8.756 3.820 1.00 0.00 H new ATOM 165 N ARG A 322 43.003 -6.599 4.789 1.00 0.00 N ATOM 166 CA ARG A 322 41.757 -5.942 4.411 1.00 0.00 C ATOM 167 C ARG A 322 41.879 -4.428 4.542 1.00 0.00 C ATOM 168 O ARG A 322 41.817 -3.884 5.646 1.00 0.00 O ATOM 169 CB ARG A 322 40.605 -6.450 5.278 1.00 0.00 C ATOM 170 CG ARG A 322 40.211 -7.889 4.987 1.00 0.00 C ATOM 171 CD ARG A 322 39.711 -8.050 3.560 1.00 0.00 C ATOM 172 NE ARG A 322 40.780 -8.452 2.648 1.00 0.00 N ATOM 173 CZ ARG A 322 41.234 -9.699 2.541 1.00 0.00 C ATOM 174 NH1 ARG A 322 40.717 -10.667 3.288 1.00 0.00 N ATOM 175 NH2 ARG A 322 42.207 -9.978 1.685 1.00 0.00 N ATOM 0 H ARG A 322 43.235 -6.525 5.779 1.00 0.00 H new ATOM 0 HA ARG A 322 41.550 -6.182 3.368 1.00 0.00 H new ATOM 0 HB2 ARG A 322 40.887 -6.365 6.328 1.00 0.00 H new ATOM 0 HB3 ARG A 322 39.738 -5.807 5.127 1.00 0.00 H new ATOM 0 HG2 ARG A 322 41.068 -8.542 5.150 1.00 0.00 H new ATOM 0 HG3 ARG A 322 39.434 -8.203 5.684 1.00 0.00 H new ATOM 0 HD2 ARG A 322 38.915 -8.794 3.536 1.00 0.00 H new ATOM 0 HD3 ARG A 322 39.278 -7.110 3.219 1.00 0.00 H new ATOM 0 HE ARG A 322 41.203 -7.735 2.059 1.00 0.00 H new ATOM 0 HH11 ARG A 322 39.968 -10.457 3.948 1.00 0.00 H new ATOM 0 HH12 ARG A 322 41.069 -11.621 3.202 1.00 0.00 H new ATOM 0 HH21 ARG A 322 42.607 -9.238 1.109 1.00 0.00 H new ATOM 0 HH22 ARG A 322 42.555 -10.933 1.602 1.00 0.00 H new ATOM 189 N ALA A 323 42.052 -3.752 3.412 1.00 0.00 N ATOM 190 CA ALA A 323 42.183 -2.301 3.400 1.00 0.00 C ATOM 191 C ALA A 323 40.824 -1.629 3.234 1.00 0.00 C ATOM 192 O ALA A 323 39.829 -2.286 2.928 1.00 0.00 O ATOM 193 CB ALA A 323 43.128 -1.866 2.291 1.00 0.00 C ATOM 0 H ALA A 323 42.105 -4.187 2.491 1.00 0.00 H new ATOM 0 HA ALA A 323 42.598 -1.990 4.359 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.216 -0.780 2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.110 -2.310 2.454 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.736 -2.196 1.329 1.00 0.00 H new ATOM 199 N PHE A 324 40.790 -0.315 3.438 1.00 0.00 N ATOM 200 CA PHE A 324 39.552 0.446 3.310 1.00 0.00 C ATOM 201 C PHE A 324 39.568 1.305 2.050 1.00 0.00 C ATOM 202 O PHE A 324 40.588 1.904 1.708 1.00 0.00 O ATOM 203 CB PHE A 324 39.343 1.330 4.540 1.00 0.00 C ATOM 204 CG PHE A 324 39.345 0.567 5.834 1.00 0.00 C ATOM 205 CD1 PHE A 324 38.501 -0.517 6.017 1.00 0.00 C ATOM 206 CD2 PHE A 324 40.191 0.935 6.869 1.00 0.00 C ATOM 207 CE1 PHE A 324 38.500 -1.220 7.206 1.00 0.00 C ATOM 208 CE2 PHE A 324 40.195 0.235 8.060 1.00 0.00 C ATOM 209 CZ PHE A 324 39.348 -0.844 8.229 1.00 0.00 C ATOM 0 H PHE A 324 41.605 0.244 3.692 1.00 0.00 H new ATOM 0 HA PHE A 324 38.727 -0.262 3.235 1.00 0.00 H new ATOM 0 HB2 PHE A 324 40.128 2.086 4.572 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.395 1.859 4.441 1.00 0.00 H new ATOM 0 HD1 PHE A 324 37.836 -0.816 5.220 1.00 0.00 H new ATOM 0 HD2 PHE A 324 40.854 1.778 6.743 1.00 0.00 H new ATOM 0 HE1 PHE A 324 37.837 -2.063 7.335 1.00 0.00 H new ATOM 0 HE2 PHE A 324 40.859 0.531 8.858 1.00 0.00 H new ATOM 0 HZ PHE A 324 39.349 -1.392 9.160 1.00 0.00 H new ATOM 219 N VAL A 325 38.432 1.360 1.363 1.00 0.00 N ATOM 220 CA VAL A 325 38.315 2.145 0.141 1.00 0.00 C ATOM 221 C VAL A 325 36.929 2.766 0.017 1.00 0.00 C ATOM 222 O VAL A 325 35.962 2.270 0.593 1.00 0.00 O ATOM 223 CB VAL A 325 38.593 1.287 -1.108 1.00 0.00 C ATOM 224 CG1 VAL A 325 38.664 2.160 -2.351 1.00 0.00 C ATOM 225 CG2 VAL A 325 39.876 0.490 -0.933 1.00 0.00 C ATOM 0 H VAL A 325 37.579 0.870 1.632 1.00 0.00 H new ATOM 0 HA VAL A 325 39.062 2.937 0.203 1.00 0.00 H new ATOM 0 HB VAL A 325 37.770 0.584 -1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 325 38.861 1.536 -3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 325 37.716 2.681 -2.484 1.00 0.00 H new ATOM 0 HG13 VAL A 325 39.466 2.889 -2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 325 40.056 -0.110 -1.825 1.00 0.00 H new ATOM 0 HG22 VAL A 325 40.711 1.174 -0.781 1.00 0.00 H new ATOM 0 HG23 VAL A 325 39.782 -0.166 -0.068 1.00 0.00 H new ATOM 235 N THR A 326 36.839 3.855 -0.740 1.00 0.00 N ATOM 236 CA THR A 326 35.573 4.543 -0.942 1.00 0.00 C ATOM 237 C THR A 326 35.440 5.027 -2.382 1.00 0.00 C ATOM 238 O THR A 326 36.382 5.579 -2.951 1.00 0.00 O ATOM 239 CB THR A 326 35.449 5.727 0.019 1.00 0.00 C ATOM 240 OG1 THR A 326 36.524 6.632 -0.160 1.00 0.00 O ATOM 241 CG2 THR A 326 35.432 5.318 1.476 1.00 0.00 C ATOM 0 H THR A 326 37.631 4.279 -1.224 1.00 0.00 H new ATOM 0 HA THR A 326 34.769 3.835 -0.739 1.00 0.00 H new ATOM 0 HB THR A 326 34.494 6.194 -0.221 1.00 0.00 H new ATOM 0 HG1 THR A 326 36.426 7.383 0.462 1.00 0.00 H new ATOM 0 HG21 THR A 326 35.342 6.206 2.102 1.00 0.00 H new ATOM 0 HG22 THR A 326 34.584 4.658 1.659 1.00 0.00 H new ATOM 0 HG23 THR A 326 36.357 4.795 1.718 1.00 0.00 H new ATOM 249 N ILE A 327 34.265 4.816 -2.966 1.00 0.00 N ATOM 250 CA ILE A 327 34.009 5.231 -4.340 1.00 0.00 C ATOM 251 C ILE A 327 32.656 5.925 -4.461 1.00 0.00 C ATOM 252 O ILE A 327 31.703 5.576 -3.765 1.00 0.00 O ATOM 253 CB ILE A 327 34.046 4.033 -5.306 1.00 0.00 C ATOM 254 CG1 ILE A 327 35.303 3.193 -5.064 1.00 0.00 C ATOM 255 CG2 ILE A 327 33.992 4.514 -6.748 1.00 0.00 C ATOM 256 CD1 ILE A 327 35.054 1.965 -4.215 1.00 0.00 C ATOM 0 H ILE A 327 33.475 4.360 -2.509 1.00 0.00 H new ATOM 0 HA ILE A 327 34.800 5.930 -4.611 1.00 0.00 H new ATOM 0 HB ILE A 327 33.173 3.407 -5.120 1.00 0.00 H new ATOM 0 HG12 ILE A 327 35.714 2.883 -6.025 1.00 0.00 H new ATOM 0 HG13 ILE A 327 36.057 3.813 -4.580 1.00 0.00 H new ATOM 0 HG21 ILE A 327 34.019 3.656 -7.419 1.00 0.00 H new ATOM 0 HG22 ILE A 327 33.071 5.073 -6.911 1.00 0.00 H new ATOM 0 HG23 ILE A 327 34.848 5.159 -6.949 1.00 0.00 H new ATOM 0 HD11 ILE A 327 35.987 1.418 -4.084 1.00 0.00 H new ATOM 0 HD12 ILE A 327 34.672 2.268 -3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 327 34.323 1.324 -4.708 1.00 0.00 H new ATOM 268 N GLY A 328 32.581 6.910 -5.350 1.00 0.00 N ATOM 269 CA GLY A 328 31.341 7.637 -5.548 1.00 0.00 C ATOM 270 C GLY A 328 31.456 8.695 -6.627 1.00 0.00 C ATOM 271 O GLY A 328 32.559 9.077 -7.017 1.00 0.00 O ATOM 0 H GLY A 328 33.357 7.218 -5.937 1.00 0.00 H new ATOM 0 HA2 GLY A 328 30.550 6.935 -5.814 1.00 0.00 H new ATOM 0 HA3 GLY A 328 31.046 8.109 -4.611 1.00 0.00 H new