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+ -132:sc= -0.896 (180deg=-2.87!) USER MOD Single : A 313 SER OG : rot 180:sc= 0 USER MOD Single : A 317 GLN : amide:sc= -0.845 K(o=-0.85,f=-0.032) USER MOD Single : A 326 THR OG1 : rot 180:sc= -0.0564 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.189 5.337 -4.648 1.00 0.00 N ATOM 2 CA LYS A 312 26.965 5.192 -3.423 1.00 0.00 C ATOM 3 C LYS A 312 27.227 3.722 -3.110 1.00 0.00 C ATOM 4 O LYS A 312 26.306 2.971 -2.789 1.00 0.00 O ATOM 5 CB LYS A 312 26.236 5.857 -2.253 1.00 0.00 C ATOM 6 CG LYS A 312 26.765 7.240 -1.917 1.00 0.00 C ATOM 7 CD LYS A 312 26.189 8.298 -2.845 1.00 0.00 C ATOM 8 CE LYS A 312 24.763 8.658 -2.463 1.00 0.00 C ATOM 9 NZ LYS A 312 23.769 7.766 -3.124 1.00 0.00 N ATOM 0 HA LYS A 312 27.926 5.685 -3.571 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.175 5.931 -2.491 1.00 0.00 H new ATOM 0 HB3 LYS A 312 26.322 5.220 -1.373 1.00 0.00 H new ATOM 0 HG2 LYS A 312 26.515 7.485 -0.885 1.00 0.00 H new ATOM 0 HG3 LYS A 312 27.852 7.243 -1.991 1.00 0.00 H new ATOM 0 HD2 LYS A 312 26.812 9.192 -2.811 1.00 0.00 H new ATOM 0 HD3 LYS A 312 26.211 7.933 -3.872 1.00 0.00 H new ATOM 0 HE2 LYS A 312 24.649 8.590 -1.381 1.00 0.00 H new ATOM 0 HE3 LYS A 312 24.563 9.693 -2.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 23.014 8.342 -3.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 24.240 7.211 -3.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 23.358 7.122 -2.419 1.00 0.00 H new ATOM 23 N SER A 313 28.489 3.321 -3.204 1.00 0.00 N ATOM 24 CA SER A 313 28.879 1.942 -2.928 1.00 0.00 C ATOM 25 C SER A 313 30.303 1.883 -2.387 1.00 0.00 C ATOM 26 O SER A 313 31.268 1.955 -3.148 1.00 0.00 O ATOM 27 CB SER A 313 28.766 1.094 -4.196 1.00 0.00 C ATOM 28 OG SER A 313 29.467 -0.129 -4.057 1.00 0.00 O ATOM 0 H SER A 313 29.262 3.932 -3.470 1.00 0.00 H new ATOM 0 HA SER A 313 28.203 1.541 -2.172 1.00 0.00 H new ATOM 0 HB2 SER A 313 27.716 0.893 -4.410 1.00 0.00 H new ATOM 0 HB3 SER A 313 29.163 1.650 -5.045 1.00 0.00 H new ATOM 0 HG SER A 313 29.378 -0.653 -4.880 1.00 0.00 H new ATOM 34 N ILE A 314 30.428 1.758 -1.071 1.00 0.00 N ATOM 35 CA ILE A 314 31.738 1.697 -0.432 1.00 0.00 C ATOM 36 C ILE A 314 32.120 0.265 -0.084 1.00 0.00 C ATOM 37 O ILE A 314 31.264 -0.614 0.023 1.00 0.00 O ATOM 38 CB ILE A 314 31.795 2.540 0.859 1.00 0.00 C ATOM 39 CG1 ILE A 314 30.820 3.716 0.793 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.212 3.037 1.101 1.00 0.00 C ATOM 41 CD1 ILE A 314 31.098 4.670 -0.349 1.00 0.00 C ATOM 0 H ILE A 314 29.640 1.697 -0.426 1.00 0.00 H new ATOM 0 HA ILE A 314 32.443 2.104 -1.157 1.00 0.00 H new ATOM 0 HB ILE A 314 31.498 1.904 1.693 1.00 0.00 H new ATOM 0 HG12 ILE A 314 29.805 3.331 0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.863 4.266 1.733 1.00 0.00 H new ATOM 0 HG21 ILE A 314 33.238 3.630 2.015 1.00 0.00 H new ATOM 0 HG22 ILE A 314 33.884 2.185 1.202 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.530 3.652 0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.367 5.479 -0.333 1.00 0.00 H new ATOM 0 HD12 ILE A 314 32.100 5.084 -0.241 1.00 0.00 H new ATOM 0 HD13 ILE A 314 31.027 4.135 -1.296 1.00 0.00 H new ATOM 53 N ARG A 315 33.414 0.045 0.110 1.00 0.00 N ATOM 54 CA ARG A 315 33.926 -1.269 0.468 1.00 0.00 C ATOM 55 C ARG A 315 34.990 -1.135 1.551 1.00 0.00 C ATOM 56 O ARG A 315 36.188 -1.169 1.268 1.00 0.00 O ATOM 57 CB ARG A 315 34.507 -1.972 -0.761 1.00 0.00 C ATOM 58 CG ARG A 315 33.504 -2.854 -1.488 1.00 0.00 C ATOM 59 CD ARG A 315 33.482 -4.263 -0.919 1.00 0.00 C ATOM 60 NE ARG A 315 32.129 -4.689 -0.569 1.00 0.00 N ATOM 61 CZ ARG A 315 31.774 -5.962 -0.398 1.00 0.00 C ATOM 62 NH1 ARG A 315 32.666 -6.932 -0.543 1.00 0.00 N ATOM 63 NH2 ARG A 315 30.521 -6.262 -0.080 1.00 0.00 N ATOM 0 H ARG A 315 34.131 0.765 0.024 1.00 0.00 H new ATOM 0 HA ARG A 315 33.103 -1.872 0.852 1.00 0.00 H new ATOM 0 HB2 ARG A 315 34.887 -1.221 -1.453 1.00 0.00 H new ATOM 0 HB3 ARG A 315 35.357 -2.580 -0.453 1.00 0.00 H new ATOM 0 HG2 ARG A 315 32.509 -2.415 -1.411 1.00 0.00 H new ATOM 0 HG3 ARG A 315 33.754 -2.893 -2.548 1.00 0.00 H new ATOM 0 HD2 ARG A 315 33.903 -4.955 -1.648 1.00 0.00 H new ATOM 0 HD3 ARG A 315 34.117 -4.307 -0.034 1.00 0.00 H new ATOM 0 HE ARG A 315 31.415 -3.971 -0.449 1.00 0.00 H new ATOM 0 HH11 ARG A 315 33.630 -6.706 -0.787 1.00 0.00 H new ATOM 0 HH12 ARG A 315 32.388 -7.904 -0.411 1.00 0.00 H new ATOM 0 HH21 ARG A 315 29.832 -5.519 0.033 1.00 0.00 H new ATOM 0 HH22 ARG A 315 30.247 -7.236 0.051 1.00 0.00 H new ATOM 77 N ILE A 316 34.541 -0.970 2.789 1.00 0.00 N ATOM 78 CA ILE A 316 35.449 -0.813 3.920 1.00 0.00 C ATOM 79 C ILE A 316 35.412 -2.032 4.837 1.00 0.00 C ATOM 80 O ILE A 316 34.355 -2.409 5.345 1.00 0.00 O ATOM 81 CB ILE A 316 35.121 0.449 4.743 1.00 0.00 C ATOM 82 CG1 ILE A 316 33.617 0.725 4.743 1.00 0.00 C ATOM 83 CG2 ILE A 316 35.882 1.647 4.195 1.00 0.00 C ATOM 84 CD1 ILE A 316 33.235 1.952 5.537 1.00 0.00 C ATOM 0 H ILE A 316 33.552 -0.941 3.036 1.00 0.00 H new ATOM 0 HA ILE A 316 36.450 -0.710 3.501 1.00 0.00 H new ATOM 0 HB ILE A 316 35.433 0.277 5.773 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.277 0.846 3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 316 33.096 -0.141 5.152 1.00 0.00 H new ATOM 0 HG21 ILE A 316 35.642 2.532 4.785 1.00 0.00 H new ATOM 0 HG22 ILE A 316 36.953 1.454 4.251 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.597 1.815 3.156 1.00 0.00 H new ATOM 0 HD11 ILE A 316 32.155 2.090 5.496 1.00 0.00 H new ATOM 0 HD12 ILE A 316 33.545 1.825 6.574 1.00 0.00 H new ATOM 0 HD13 ILE A 316 33.729 2.827 5.115 1.00 0.00 H new ATOM 96 N GLN A 317 36.574 -2.643 5.043 1.00 0.00 N ATOM 97 CA GLN A 317 36.683 -3.818 5.899 1.00 0.00 C ATOM 98 C GLN A 317 37.844 -3.670 6.877 1.00 0.00 C ATOM 99 O GLN A 317 38.753 -2.868 6.659 1.00 0.00 O ATOM 100 CB GLN A 317 36.875 -5.079 5.053 1.00 0.00 C ATOM 101 CG GLN A 317 35.966 -5.144 3.836 1.00 0.00 C ATOM 102 CD GLN A 317 36.732 -5.067 2.528 1.00 0.00 C ATOM 103 OE1 GLN A 317 36.427 -5.783 1.575 1.00 0.00 O ATOM 104 NE2 GLN A 317 37.735 -4.197 2.480 1.00 0.00 N ATOM 0 H GLN A 317 37.456 -2.343 4.627 1.00 0.00 H new ATOM 0 HA GLN A 317 35.757 -3.908 6.468 1.00 0.00 H new ATOM 0 HB2 GLN A 317 37.913 -5.130 4.723 1.00 0.00 H new ATOM 0 HB3 GLN A 317 36.695 -5.955 5.677 1.00 0.00 H new ATOM 0 HG2 GLN A 317 35.395 -6.072 3.864 1.00 0.00 H new ATOM 0 HG3 GLN A 317 35.247 -4.326 3.880 1.00 0.00 H new ATOM 0 HE21 GLN A 317 37.952 -3.624 3.295 1.00 0.00 H new ATOM 0 HE22 GLN A 317 38.288 -4.103 1.628 1.00 0.00 H new ATOM 113 N ARG A 318 37.808 -4.446 7.955 1.00 0.00 N ATOM 114 CA ARG A 318 38.860 -4.400 8.965 1.00 0.00 C ATOM 115 C ARG A 318 39.614 -5.725 9.027 1.00 0.00 C ATOM 116 O ARG A 318 39.088 -6.769 8.641 1.00 0.00 O ATOM 117 CB ARG A 318 38.267 -4.067 10.335 1.00 0.00 C ATOM 118 CG ARG A 318 38.568 -2.651 10.800 1.00 0.00 C ATOM 119 CD ARG A 318 38.120 -2.428 12.235 1.00 0.00 C ATOM 120 NE ARG A 318 36.700 -2.723 12.418 1.00 0.00 N ATOM 121 CZ ARG A 318 36.092 -2.733 13.601 1.00 0.00 C ATOM 122 NH1 ARG A 318 36.774 -2.467 14.709 1.00 0.00 N ATOM 123 NH2 ARG A 318 34.797 -3.010 13.677 1.00 0.00 N ATOM 0 H ARG A 318 37.063 -5.114 8.152 1.00 0.00 H new ATOM 0 HA ARG A 318 39.565 -3.617 8.685 1.00 0.00 H new ATOM 0 HB2 ARG A 318 37.187 -4.206 10.298 1.00 0.00 H new ATOM 0 HB3 ARG A 318 38.654 -4.772 11.070 1.00 0.00 H new ATOM 0 HG2 ARG A 318 39.638 -2.460 10.718 1.00 0.00 H new ATOM 0 HG3 ARG A 318 38.066 -1.938 10.146 1.00 0.00 H new ATOM 0 HD2 ARG A 318 38.710 -3.058 12.901 1.00 0.00 H new ATOM 0 HD3 ARG A 318 38.315 -1.394 12.519 1.00 0.00 H new ATOM 0 HE ARG A 318 36.143 -2.934 11.590 1.00 0.00 H new ATOM 0 HH11 ARG A 318 37.770 -2.253 14.656 1.00 0.00 H new ATOM 0 HH12 ARG A 318 36.302 -2.476 15.613 1.00 0.00 H new ATOM 0 HH21 ARG A 318 34.269 -3.215 12.829 1.00 0.00 H new ATOM 0 HH22 ARG A 318 34.330 -3.018 14.584 1.00 0.00 H new ATOM 137 N GLY A 319 40.848 -5.675 9.517 1.00 0.00 N ATOM 138 CA GLY A 319 41.655 -6.876 9.622 1.00 0.00 C ATOM 139 C GLY A 319 43.122 -6.618 9.334 1.00 0.00 C ATOM 140 O GLY A 319 43.487 -5.522 8.909 1.00 0.00 O ATOM 0 H GLY A 319 41.304 -4.823 9.844 1.00 0.00 H new ATOM 0 HA2 GLY A 319 41.553 -7.292 10.624 1.00 0.00 H new ATOM 0 HA3 GLY A 319 41.278 -7.625 8.926 1.00 0.00 H new ATOM 144 N PRO A 320 43.994 -7.615 9.559 1.00 0.00 N ATOM 145 CA PRO A 320 45.433 -7.474 9.315 1.00 0.00 C ATOM 146 C PRO A 320 45.754 -7.304 7.834 1.00 0.00 C ATOM 147 O PRO A 320 45.634 -8.245 7.050 1.00 0.00 O ATOM 148 CB PRO A 320 46.019 -8.788 9.842 1.00 0.00 C ATOM 149 CG PRO A 320 44.888 -9.757 9.794 1.00 0.00 C ATOM 150 CD PRO A 320 43.647 -8.955 10.065 1.00 0.00 C ATOM 0 HA PRO A 320 45.842 -6.588 9.800 1.00 0.00 H new ATOM 0 HB2 PRO A 320 46.854 -9.124 9.226 1.00 0.00 H new ATOM 0 HB3 PRO A 320 46.398 -8.673 10.857 1.00 0.00 H new ATOM 0 HG2 PRO A 320 44.833 -10.245 8.821 1.00 0.00 H new ATOM 0 HG3 PRO A 320 45.015 -10.543 10.538 1.00 0.00 H new ATOM 0 HD2 PRO A 320 42.780 -9.368 9.549 1.00 0.00 H new ATOM 0 HD3 PRO A 320 43.405 -8.934 11.128 1.00 0.00 H new ATOM 158 N GLY A 321 46.163 -6.096 7.459 1.00 0.00 N ATOM 159 CA GLY A 321 46.494 -5.822 6.073 1.00 0.00 C ATOM 160 C GLY A 321 45.272 -5.491 5.238 1.00 0.00 C ATOM 161 O GLY A 321 45.271 -5.686 4.022 1.00 0.00 O ATOM 0 H GLY A 321 46.271 -5.302 8.090 1.00 0.00 H new ATOM 0 HA2 GLY A 321 47.197 -4.990 6.028 1.00 0.00 H new ATOM 0 HA3 GLY A 321 46.998 -6.688 5.645 1.00 0.00 H new ATOM 165 N ARG A 322 44.228 -4.988 5.890 1.00 0.00 N ATOM 166 CA ARG A 322 42.995 -4.629 5.200 1.00 0.00 C ATOM 167 C ARG A 322 42.975 -3.143 4.861 1.00 0.00 C ATOM 168 O ARG A 322 43.311 -2.301 5.694 1.00 0.00 O ATOM 169 CB ARG A 322 41.781 -4.987 6.060 1.00 0.00 C ATOM 170 CG ARG A 322 41.192 -6.351 5.744 1.00 0.00 C ATOM 171 CD ARG A 322 40.448 -6.347 4.417 1.00 0.00 C ATOM 172 NE ARG A 322 41.047 -7.265 3.451 1.00 0.00 N ATOM 173 CZ ARG A 322 40.829 -7.206 2.139 1.00 0.00 C ATOM 174 NH1 ARG A 322 40.031 -6.275 1.633 1.00 0.00 N ATOM 175 NH2 ARG A 322 41.413 -8.080 1.331 1.00 0.00 N ATOM 0 H ARG A 322 44.212 -4.820 6.896 1.00 0.00 H new ATOM 0 HA ARG A 322 42.950 -5.195 4.270 1.00 0.00 H new ATOM 0 HB2 ARG A 322 42.070 -4.960 7.111 1.00 0.00 H new ATOM 0 HB3 ARG A 322 41.012 -4.227 5.921 1.00 0.00 H new ATOM 0 HG2 ARG A 322 41.989 -7.094 5.712 1.00 0.00 H new ATOM 0 HG3 ARG A 322 40.512 -6.648 6.542 1.00 0.00 H new ATOM 0 HD2 ARG A 322 39.407 -6.625 4.584 1.00 0.00 H new ATOM 0 HD3 ARG A 322 40.446 -5.338 4.005 1.00 0.00 H new ATOM 0 HE ARG A 322 41.668 -7.994 3.802 1.00 0.00 H new ATOM 0 HH11 ARG A 322 39.580 -5.599 2.250 1.00 0.00 H new ATOM 0 HH12 ARG A 322 39.868 -6.235 0.627 1.00 0.00 H new ATOM 0 HH21 ARG A 322 42.029 -8.797 1.715 1.00 0.00 H new ATOM 0 HH22 ARG A 322 41.246 -8.035 0.326 1.00 0.00 H new ATOM 189 N ALA A 323 42.577 -2.825 3.633 1.00 0.00 N ATOM 190 CA ALA A 323 42.512 -1.440 3.184 1.00 0.00 C ATOM 191 C ALA A 323 41.069 -0.998 2.974 1.00 0.00 C ATOM 192 O ALA A 323 40.150 -1.816 2.988 1.00 0.00 O ATOM 193 CB ALA A 323 43.311 -1.265 1.901 1.00 0.00 C ATOM 0 H ALA A 323 42.295 -3.509 2.931 1.00 0.00 H new ATOM 0 HA ALA A 323 42.947 -0.811 3.960 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.254 -0.226 1.576 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.352 -1.533 2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.900 -1.911 1.125 1.00 0.00 H new ATOM 199 N PHE A 324 40.875 0.303 2.779 1.00 0.00 N ATOM 200 CA PHE A 324 39.542 0.856 2.566 1.00 0.00 C ATOM 201 C PHE A 324 39.376 1.333 1.127 1.00 0.00 C ATOM 202 O PHE A 324 39.976 2.327 0.718 1.00 0.00 O ATOM 203 CB PHE A 324 39.287 2.014 3.533 1.00 0.00 C ATOM 204 CG PHE A 324 39.297 1.604 4.977 1.00 0.00 C ATOM 205 CD1 PHE A 324 38.483 0.576 5.425 1.00 0.00 C ATOM 206 CD2 PHE A 324 40.119 2.247 5.888 1.00 0.00 C ATOM 207 CE1 PHE A 324 38.490 0.196 6.755 1.00 0.00 C ATOM 208 CE2 PHE A 324 40.130 1.873 7.219 1.00 0.00 C ATOM 209 CZ PHE A 324 39.314 0.847 7.653 1.00 0.00 C ATOM 0 H PHE A 324 41.625 0.994 2.764 1.00 0.00 H new ATOM 0 HA PHE A 324 38.813 0.068 2.755 1.00 0.00 H new ATOM 0 HB2 PHE A 324 40.046 2.781 3.376 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.323 2.466 3.299 1.00 0.00 H new ATOM 0 HD1 PHE A 324 37.835 0.065 4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 324 40.759 3.050 5.554 1.00 0.00 H new ATOM 0 HE1 PHE A 324 37.852 -0.608 7.091 1.00 0.00 H new ATOM 0 HE2 PHE A 324 40.776 2.383 7.918 1.00 0.00 H new ATOM 0 HZ PHE A 324 39.320 0.554 8.692 1.00 0.00 H new ATOM 219 N VAL A 325 38.556 0.617 0.362 1.00 0.00 N ATOM 220 CA VAL A 325 38.310 0.966 -1.031 1.00 0.00 C ATOM 221 C VAL A 325 36.871 1.428 -1.236 1.00 0.00 C ATOM 222 O VAL A 325 35.928 0.676 -0.996 1.00 0.00 O ATOM 223 CB VAL A 325 38.594 -0.224 -1.966 1.00 0.00 C ATOM 224 CG1 VAL A 325 40.092 -0.428 -2.133 1.00 0.00 C ATOM 225 CG2 VAL A 325 37.932 -1.488 -1.437 1.00 0.00 C ATOM 0 H VAL A 325 38.051 -0.208 0.685 1.00 0.00 H new ATOM 0 HA VAL A 325 38.989 1.782 -1.278 1.00 0.00 H new ATOM 0 HB VAL A 325 38.170 -0.002 -2.945 1.00 0.00 H new ATOM 0 HG11 VAL A 325 40.272 -1.273 -2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 325 40.536 0.471 -2.561 1.00 0.00 H new ATOM 0 HG13 VAL A 325 40.543 -0.628 -1.161 1.00 0.00 H new ATOM 0 HG21 VAL A 325 38.143 -2.319 -2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 325 38.323 -1.716 -0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 325 36.854 -1.336 -1.376 1.00 0.00 H new ATOM 235 N THR A 326 36.710 2.670 -1.682 1.00 0.00 N ATOM 236 CA THR A 326 35.388 3.231 -1.919 1.00 0.00 C ATOM 237 C THR A 326 35.088 3.316 -3.412 1.00 0.00 C ATOM 238 O THR A 326 35.999 3.401 -4.235 1.00 0.00 O ATOM 239 CB THR A 326 35.275 4.619 -1.283 1.00 0.00 C ATOM 240 OG1 THR A 326 34.139 5.305 -1.777 1.00 0.00 O ATOM 241 CG2 THR A 326 36.485 5.493 -1.532 1.00 0.00 C ATOM 0 H THR A 326 37.481 3.306 -1.886 1.00 0.00 H new ATOM 0 HA THR A 326 34.655 2.568 -1.459 1.00 0.00 H new ATOM 0 HB THR A 326 35.193 4.440 -0.211 1.00 0.00 H new ATOM 0 HG1 THR A 326 34.083 6.189 -1.358 1.00 0.00 H new ATOM 0 HG21 THR A 326 36.339 6.462 -1.054 1.00 0.00 H new ATOM 0 HG22 THR A 326 37.372 5.014 -1.117 1.00 0.00 H new ATOM 0 HG23 THR A 326 36.617 5.634 -2.605 1.00 0.00 H new ATOM 249 N ILE A 327 33.803 3.295 -3.754 1.00 0.00 N ATOM 250 CA ILE A 327 33.381 3.370 -5.147 1.00 0.00 C ATOM 251 C ILE A 327 32.136 4.239 -5.297 1.00 0.00 C ATOM 252 O ILE A 327 31.249 4.222 -4.444 1.00 0.00 O ATOM 253 CB ILE A 327 33.090 1.972 -5.725 1.00 0.00 C ATOM 254 CG1 ILE A 327 34.242 1.016 -5.414 1.00 0.00 C ATOM 255 CG2 ILE A 327 32.854 2.058 -7.225 1.00 0.00 C ATOM 256 CD1 ILE A 327 33.995 0.146 -4.200 1.00 0.00 C ATOM 0 H ILE A 327 33.036 3.227 -3.085 1.00 0.00 H new ATOM 0 HA ILE A 327 34.205 3.818 -5.702 1.00 0.00 H new ATOM 0 HB ILE A 327 32.186 1.583 -5.257 1.00 0.00 H new ATOM 0 HG12 ILE A 327 34.417 0.377 -6.279 1.00 0.00 H new ATOM 0 HG13 ILE A 327 35.152 1.595 -5.257 1.00 0.00 H new ATOM 0 HG21 ILE A 327 32.650 1.062 -7.619 1.00 0.00 H new ATOM 0 HG22 ILE A 327 32.002 2.708 -7.423 1.00 0.00 H new ATOM 0 HG23 ILE A 327 33.741 2.465 -7.710 1.00 0.00 H new ATOM 0 HD11 ILE A 327 34.853 -0.507 -4.039 1.00 0.00 H new ATOM 0 HD12 ILE A 327 33.850 0.777 -3.323 1.00 0.00 H new ATOM 0 HD13 ILE A 327 33.104 -0.460 -4.362 1.00 0.00 H new ATOM 268 N GLY A 328 32.076 4.997 -6.389 1.00 0.00 N ATOM 269 CA GLY A 328 30.935 5.861 -6.630 1.00 0.00 C ATOM 270 C GLY A 328 31.330 7.319 -6.764 1.00 0.00 C ATOM 271 O GLY A 328 32.512 7.640 -6.884 1.00 0.00 O ATOM 0 H GLY A 328 32.797 5.028 -7.110 1.00 0.00 H new ATOM 0 HA2 GLY A 328 30.426 5.541 -7.539 1.00 0.00 H new ATOM 0 HA3 GLY A 328 30.223 5.754 -5.812 1.00 0.00 H new