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 USER MOD Single : A 317 GLN : amide:sc= -0.127 K(o=-0.13,f=-3!) USER MOD Single : A 326 THR OG1 : rot 180:sc= -0.0259 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.557 5.880 -4.592 1.00 0.00 N ATOM 2 CA LYS A 312 27.496 5.781 -3.481 1.00 0.00 C ATOM 3 C LYS A 312 27.781 4.323 -3.138 1.00 0.00 C ATOM 4 O LYS A 312 26.918 3.617 -2.616 1.00 0.00 O ATOM 5 CB LYS A 312 26.945 6.508 -2.254 1.00 0.00 C ATOM 6 CG LYS A 312 26.969 8.022 -2.382 1.00 0.00 C ATOM 7 CD LYS A 312 28.200 8.618 -1.717 1.00 0.00 C ATOM 8 CE LYS A 312 27.933 10.026 -1.211 1.00 0.00 C ATOM 9 NZ LYS A 312 28.691 10.320 0.037 1.00 0.00 N ATOM 0 HA LYS A 312 28.430 6.253 -3.784 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.919 6.183 -2.080 1.00 0.00 H new ATOM 0 HB3 LYS A 312 27.525 6.217 -1.378 1.00 0.00 H new ATOM 0 HG2 LYS A 312 26.953 8.299 -3.436 1.00 0.00 H new ATOM 0 HG3 LYS A 312 26.071 8.441 -1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 312 28.509 7.984 -0.886 1.00 0.00 H new ATOM 0 HD3 LYS A 312 29.026 8.636 -2.428 1.00 0.00 H new ATOM 0 HE2 LYS A 312 28.208 10.747 -1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 312 26.866 10.149 -1.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 28.482 11.290 0.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 28.411 9.648 0.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 29.711 10.228 -0.146 1.00 0.00 H new ATOM 23 N SER A 313 28.999 3.879 -3.433 1.00 0.00 N ATOM 24 CA SER A 313 29.400 2.505 -3.157 1.00 0.00 C ATOM 25 C SER A 313 30.778 2.465 -2.503 1.00 0.00 C ATOM 26 O SER A 313 31.799 2.626 -3.174 1.00 0.00 O ATOM 27 CB SER A 313 29.410 1.685 -4.446 1.00 0.00 C ATOM 28 OG SER A 313 29.649 0.314 -4.179 1.00 0.00 O ATOM 0 H SER A 313 29.725 4.452 -3.863 1.00 0.00 H new ATOM 0 HA SER A 313 28.676 2.072 -2.467 1.00 0.00 H new ATOM 0 HB2 SER A 313 28.455 1.797 -4.959 1.00 0.00 H new ATOM 0 HB3 SER A 313 30.179 2.067 -5.117 1.00 0.00 H new ATOM 0 HG SER A 313 29.649 -0.188 -5.021 1.00 0.00 H new ATOM 34 N ILE A 314 30.801 2.252 -1.191 1.00 0.00 N ATOM 35 CA ILE A 314 32.056 2.194 -0.449 1.00 0.00 C ATOM 36 C ILE A 314 32.489 0.755 -0.210 1.00 0.00 C ATOM 37 O ILE A 314 31.678 -0.169 -0.271 1.00 0.00 O ATOM 38 CB ILE A 314 31.956 2.901 0.919 1.00 0.00 C ATOM 39 CG1 ILE A 314 30.934 4.039 0.875 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.319 3.428 1.340 1.00 0.00 C ATOM 41 CD1 ILE A 314 31.212 5.060 -0.207 1.00 0.00 C ATOM 0 H ILE A 314 29.966 2.117 -0.620 1.00 0.00 H new ATOM 0 HA ILE A 314 32.793 2.709 -1.065 1.00 0.00 H new ATOM 0 HB ILE A 314 31.618 2.172 1.655 1.00 0.00 H new ATOM 0 HG12 ILE A 314 29.940 3.618 0.720 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.920 4.541 1.842 1.00 0.00 H new ATOM 0 HG21 ILE A 314 33.234 3.925 2.307 1.00 0.00 H new ATOM 0 HG22 ILE A 314 34.022 2.598 1.418 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.679 4.139 0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.448 5.837 -0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 314 32.192 5.508 -0.041 1.00 0.00 H new ATOM 0 HD13 ILE A 314 31.197 4.571 -1.181 1.00 0.00 H new ATOM 53 N ARG A 315 33.772 0.575 0.077 1.00 0.00 N ATOM 54 CA ARG A 315 34.318 -0.747 0.343 1.00 0.00 C ATOM 55 C ARG A 315 35.212 -0.712 1.576 1.00 0.00 C ATOM 56 O ARG A 315 36.437 -0.654 1.469 1.00 0.00 O ATOM 57 CB ARG A 315 35.106 -1.254 -0.864 1.00 0.00 C ATOM 58 CG ARG A 315 34.969 -2.751 -1.097 1.00 0.00 C ATOM 59 CD ARG A 315 33.710 -3.080 -1.882 1.00 0.00 C ATOM 60 NE ARG A 315 33.756 -2.542 -3.240 1.00 0.00 N ATOM 61 CZ ARG A 315 34.485 -3.068 -4.222 1.00 0.00 C ATOM 62 NH1 ARG A 315 35.229 -4.146 -4.001 1.00 0.00 N ATOM 63 NH2 ARG A 315 34.470 -2.516 -5.428 1.00 0.00 N ATOM 0 H ARG A 315 34.455 1.331 0.131 1.00 0.00 H new ATOM 0 HA ARG A 315 33.489 -1.430 0.529 1.00 0.00 H new ATOM 0 HB2 ARG A 315 34.770 -0.724 -1.755 1.00 0.00 H new ATOM 0 HB3 ARG A 315 36.160 -1.011 -0.727 1.00 0.00 H new ATOM 0 HG2 ARG A 315 35.842 -3.117 -1.637 1.00 0.00 H new ATOM 0 HG3 ARG A 315 34.947 -3.269 -0.138 1.00 0.00 H new ATOM 0 HD2 ARG A 315 33.581 -4.162 -1.925 1.00 0.00 H new ATOM 0 HD3 ARG A 315 32.842 -2.676 -1.361 1.00 0.00 H new ATOM 0 HE ARG A 315 33.197 -1.715 -3.448 1.00 0.00 H new ATOM 0 HH11 ARG A 315 35.244 -4.575 -3.076 1.00 0.00 H new ATOM 0 HH12 ARG A 315 35.786 -4.545 -4.757 1.00 0.00 H new ATOM 0 HH21 ARG A 315 33.900 -1.688 -5.603 1.00 0.00 H new ATOM 0 HH22 ARG A 315 35.029 -2.919 -6.180 1.00 0.00 H new ATOM 77 N ILE A 316 34.588 -0.738 2.748 1.00 0.00 N ATOM 78 CA ILE A 316 35.320 -0.701 4.008 1.00 0.00 C ATOM 79 C ILE A 316 35.146 -1.997 4.791 1.00 0.00 C ATOM 80 O ILE A 316 34.040 -2.334 5.215 1.00 0.00 O ATOM 81 CB ILE A 316 34.872 0.483 4.886 1.00 0.00 C ATOM 82 CG1 ILE A 316 33.370 0.728 4.733 1.00 0.00 C ATOM 83 CG2 ILE A 316 35.658 1.737 4.525 1.00 0.00 C ATOM 84 CD1 ILE A 316 32.865 1.884 5.563 1.00 0.00 C ATOM 0 H ILE A 316 33.574 -0.785 2.852 1.00 0.00 H new ATOM 0 HA ILE A 316 36.373 -0.577 3.754 1.00 0.00 H new ATOM 0 HB ILE A 316 35.073 0.236 5.928 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.145 0.918 3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 316 32.831 -0.176 5.016 1.00 0.00 H new ATOM 0 HG21 ILE A 316 35.331 2.565 5.154 1.00 0.00 H new ATOM 0 HG22 ILE A 316 36.721 1.559 4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.485 1.986 3.478 1.00 0.00 H new ATOM 0 HD11 ILE A 316 31.793 2.003 5.407 1.00 0.00 H new ATOM 0 HD12 ILE A 316 33.059 1.687 6.617 1.00 0.00 H new ATOM 0 HD13 ILE A 316 33.378 2.798 5.264 1.00 0.00 H new ATOM 96 N GLN A 317 36.246 -2.719 4.980 1.00 0.00 N ATOM 97 CA GLN A 317 36.218 -3.979 5.714 1.00 0.00 C ATOM 98 C GLN A 317 37.522 -4.192 6.476 1.00 0.00 C ATOM 99 O GLN A 317 38.582 -3.733 6.051 1.00 0.00 O ATOM 100 CB GLN A 317 35.976 -5.147 4.756 1.00 0.00 C ATOM 101 CG GLN A 317 37.052 -5.295 3.694 1.00 0.00 C ATOM 102 CD GLN A 317 36.782 -4.445 2.468 1.00 0.00 C ATOM 103 OE1 GLN A 317 35.899 -4.752 1.667 1.00 0.00 O ATOM 104 NE2 GLN A 317 37.544 -3.368 2.315 1.00 0.00 N ATOM 0 H GLN A 317 37.168 -2.453 4.635 1.00 0.00 H new ATOM 0 HA GLN A 317 35.400 -3.934 6.433 1.00 0.00 H new ATOM 0 HB2 GLN A 317 35.915 -6.071 5.331 1.00 0.00 H new ATOM 0 HB3 GLN A 317 35.011 -5.011 4.267 1.00 0.00 H new ATOM 0 HG2 GLN A 317 38.017 -5.018 4.119 1.00 0.00 H new ATOM 0 HG3 GLN A 317 37.123 -6.341 3.398 1.00 0.00 H new ATOM 0 HE21 GLN A 317 38.265 -3.151 3.004 1.00 0.00 H new ATOM 0 HE22 GLN A 317 37.409 -2.758 1.509 1.00 0.00 H new ATOM 113 N ARG A 318 37.437 -4.890 7.605 1.00 0.00 N ATOM 114 CA ARG A 318 38.611 -5.161 8.425 1.00 0.00 C ATOM 115 C ARG A 318 39.136 -6.572 8.177 1.00 0.00 C ATOM 116 O ARG A 318 38.480 -7.384 7.527 1.00 0.00 O ATOM 117 CB ARG A 318 38.277 -4.982 9.907 1.00 0.00 C ATOM 118 CG ARG A 318 36.966 -5.633 10.319 1.00 0.00 C ATOM 119 CD ARG A 318 35.847 -4.611 10.447 1.00 0.00 C ATOM 120 NE ARG A 318 34.784 -4.836 9.471 1.00 0.00 N ATOM 121 CZ ARG A 318 33.849 -3.937 9.171 1.00 0.00 C ATOM 122 NH1 ARG A 318 33.844 -2.752 9.768 1.00 0.00 N ATOM 123 NH2 ARG A 318 32.918 -4.224 8.272 1.00 0.00 N ATOM 0 H ARG A 318 36.568 -5.277 7.972 1.00 0.00 H new ATOM 0 HA ARG A 318 39.389 -4.450 8.146 1.00 0.00 H new ATOM 0 HB2 ARG A 318 39.085 -5.401 10.506 1.00 0.00 H new ATOM 0 HB3 ARG A 318 38.231 -3.917 10.134 1.00 0.00 H new ATOM 0 HG2 ARG A 318 36.687 -6.388 9.583 1.00 0.00 H new ATOM 0 HG3 ARG A 318 37.099 -6.149 11.270 1.00 0.00 H new ATOM 0 HD2 ARG A 318 35.430 -4.655 11.453 1.00 0.00 H new ATOM 0 HD3 ARG A 318 36.255 -3.609 10.314 1.00 0.00 H new ATOM 0 HE ARG A 318 34.756 -5.735 8.991 1.00 0.00 H new ATOM 0 HH11 ARG A 318 34.559 -2.527 10.460 1.00 0.00 H new ATOM 0 HH12 ARG A 318 33.126 -2.066 9.535 1.00 0.00 H new ATOM 0 HH21 ARG A 318 32.918 -5.134 7.810 1.00 0.00 H new ATOM 0 HH22 ARG A 318 32.202 -3.535 8.042 1.00 0.00 H new ATOM 137 N GLY A 319 40.325 -6.855 8.702 1.00 0.00 N ATOM 138 CA GLY A 319 40.919 -8.168 8.527 1.00 0.00 C ATOM 139 C GLY A 319 42.431 -8.106 8.389 1.00 0.00 C ATOM 140 O GLY A 319 42.960 -7.180 7.774 1.00 0.00 O ATOM 0 H GLY A 319 40.887 -6.199 9.245 1.00 0.00 H new ATOM 0 HA2 GLY A 319 40.660 -8.797 9.378 1.00 0.00 H new ATOM 0 HA3 GLY A 319 40.495 -8.640 7.641 1.00 0.00 H new ATOM 144 N PRO A 320 43.159 -9.086 8.954 1.00 0.00 N ATOM 145 CA PRO A 320 44.624 -9.120 8.878 1.00 0.00 C ATOM 146 C PRO A 320 45.131 -9.018 7.444 1.00 0.00 C ATOM 147 O PRO A 320 45.255 -10.024 6.745 1.00 0.00 O ATOM 148 CB PRO A 320 44.981 -10.484 9.475 1.00 0.00 C ATOM 149 CG PRO A 320 43.835 -10.823 10.362 1.00 0.00 C ATOM 150 CD PRO A 320 42.617 -10.231 9.708 1.00 0.00 C ATOM 0 HA PRO A 320 45.078 -8.279 9.402 1.00 0.00 H new ATOM 0 HB2 PRO A 320 45.113 -11.234 8.696 1.00 0.00 H new ATOM 0 HB3 PRO A 320 45.915 -10.438 10.035 1.00 0.00 H new ATOM 0 HG2 PRO A 320 43.733 -11.903 10.473 1.00 0.00 H new ATOM 0 HG3 PRO A 320 43.980 -10.413 11.361 1.00 0.00 H new ATOM 0 HD2 PRO A 320 42.125 -10.948 9.051 1.00 0.00 H new ATOM 0 HD3 PRO A 320 41.879 -9.914 10.445 1.00 0.00 H new ATOM 158 N GLY A 321 45.422 -7.796 7.010 1.00 0.00 N ATOM 159 CA GLY A 321 45.911 -7.584 5.661 1.00 0.00 C ATOM 160 C GLY A 321 44.859 -6.978 4.753 1.00 0.00 C ATOM 161 O GLY A 321 44.839 -7.244 3.551 1.00 0.00 O ATOM 0 H GLY A 321 45.328 -6.948 7.569 1.00 0.00 H new ATOM 0 HA2 GLY A 321 46.781 -6.929 5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 321 46.243 -8.535 5.244 1.00 0.00 H new ATOM 165 N ARG A 322 43.982 -6.162 5.329 1.00 0.00 N ATOM 166 CA ARG A 322 42.922 -5.517 4.565 1.00 0.00 C ATOM 167 C ARG A 322 43.022 -3.998 4.672 1.00 0.00 C ATOM 168 O ARG A 322 43.634 -3.470 5.600 1.00 0.00 O ATOM 169 CB ARG A 322 41.552 -5.987 5.059 1.00 0.00 C ATOM 170 CG ARG A 322 40.969 -7.125 4.238 1.00 0.00 C ATOM 171 CD ARG A 322 40.296 -6.613 2.974 1.00 0.00 C ATOM 172 NE ARG A 322 40.083 -7.678 1.997 1.00 0.00 N ATOM 173 CZ ARG A 322 41.032 -8.141 1.186 1.00 0.00 C ATOM 174 NH1 ARG A 322 42.260 -7.638 1.234 1.00 0.00 N ATOM 175 NH2 ARG A 322 40.754 -9.110 0.324 1.00 0.00 N ATOM 0 H ARG A 322 43.985 -5.932 6.323 1.00 0.00 H new ATOM 0 HA ARG A 322 43.039 -5.797 3.518 1.00 0.00 H new ATOM 0 HB2 ARG A 322 41.639 -6.306 6.098 1.00 0.00 H new ATOM 0 HB3 ARG A 322 40.860 -5.145 5.041 1.00 0.00 H new ATOM 0 HG2 ARG A 322 41.761 -7.826 3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 322 40.245 -7.675 4.839 1.00 0.00 H new ATOM 0 HD2 ARG A 322 39.338 -6.160 3.231 1.00 0.00 H new ATOM 0 HD3 ARG A 322 40.909 -5.830 2.529 1.00 0.00 H new ATOM 0 HE ARG A 322 39.153 -8.091 1.932 1.00 0.00 H new ATOM 0 HH11 ARG A 322 42.480 -6.893 1.895 1.00 0.00 H new ATOM 0 HH12 ARG A 322 42.983 -7.997 0.610 1.00 0.00 H new ATOM 0 HH21 ARG A 322 39.813 -9.501 0.282 1.00 0.00 H new ATOM 0 HH22 ARG A 322 41.481 -9.464 -0.297 1.00 0.00 H new ATOM 189 N ALA A 323 42.416 -3.302 3.716 1.00 0.00 N ATOM 190 CA ALA A 323 42.435 -1.844 3.703 1.00 0.00 C ATOM 191 C ALA A 323 41.049 -1.280 3.413 1.00 0.00 C ATOM 192 O ALA A 323 40.133 -2.015 3.046 1.00 0.00 O ATOM 193 CB ALA A 323 43.438 -1.341 2.676 1.00 0.00 C ATOM 0 H ALA A 323 41.906 -3.724 2.940 1.00 0.00 H new ATOM 0 HA ALA A 323 42.738 -1.499 4.691 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.443 -0.251 2.676 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.433 -1.708 2.929 1.00 0.00 H new ATOM 0 HB3 ALA A 323 43.158 -1.703 1.687 1.00 0.00 H new ATOM 199 N PHE A 324 40.904 0.030 3.579 1.00 0.00 N ATOM 200 CA PHE A 324 39.628 0.693 3.334 1.00 0.00 C ATOM 201 C PHE A 324 39.616 1.360 1.963 1.00 0.00 C ATOM 202 O PHE A 324 40.601 1.973 1.550 1.00 0.00 O ATOM 203 CB PHE A 324 39.353 1.733 4.422 1.00 0.00 C ATOM 204 CG PHE A 324 39.243 1.145 5.800 1.00 0.00 C ATOM 205 CD1 PHE A 324 38.221 0.263 6.113 1.00 0.00 C ATOM 206 CD2 PHE A 324 40.163 1.475 6.782 1.00 0.00 C ATOM 207 CE1 PHE A 324 38.119 -0.279 7.381 1.00 0.00 C ATOM 208 CE2 PHE A 324 40.066 0.937 8.051 1.00 0.00 C ATOM 209 CZ PHE A 324 39.043 0.058 8.350 1.00 0.00 C ATOM 0 H PHE A 324 41.653 0.653 3.882 1.00 0.00 H new ATOM 0 HA PHE A 324 38.844 -0.063 3.357 1.00 0.00 H new ATOM 0 HB2 PHE A 324 40.152 2.474 4.415 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.428 2.259 4.185 1.00 0.00 H new ATOM 0 HD1 PHE A 324 37.496 -0.004 5.358 1.00 0.00 H new ATOM 0 HD2 PHE A 324 40.965 2.161 6.553 1.00 0.00 H new ATOM 0 HE1 PHE A 324 37.318 -0.965 7.613 1.00 0.00 H new ATOM 0 HE2 PHE A 324 40.789 1.203 8.808 1.00 0.00 H new ATOM 0 HZ PHE A 324 38.966 -0.365 9.341 1.00 0.00 H new ATOM 219 N VAL A 325 38.496 1.234 1.260 1.00 0.00 N ATOM 220 CA VAL A 325 38.354 1.824 -0.066 1.00 0.00 C ATOM 221 C VAL A 325 36.976 2.455 -0.239 1.00 0.00 C ATOM 222 O VAL A 325 36.037 2.127 0.485 1.00 0.00 O ATOM 223 CB VAL A 325 38.569 0.776 -1.174 1.00 0.00 C ATOM 224 CG1 VAL A 325 38.639 1.444 -2.538 1.00 0.00 C ATOM 225 CG2 VAL A 325 39.829 -0.034 -0.905 1.00 0.00 C ATOM 0 H VAL A 325 37.673 0.728 1.586 1.00 0.00 H new ATOM 0 HA VAL A 325 39.119 2.595 -0.154 1.00 0.00 H new ATOM 0 HB VAL A 325 37.718 0.095 -1.173 1.00 0.00 H new ATOM 0 HG11 VAL A 325 38.791 0.686 -3.307 1.00 0.00 H new ATOM 0 HG12 VAL A 325 37.707 1.975 -2.731 1.00 0.00 H new ATOM 0 HG13 VAL A 325 39.469 2.150 -2.555 1.00 0.00 H new ATOM 0 HG21 VAL A 325 39.965 -0.769 -1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 325 40.691 0.633 -0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 325 39.735 -0.546 0.053 1.00 0.00 H new ATOM 235 N THR A 326 36.863 3.363 -1.204 1.00 0.00 N ATOM 236 CA THR A 326 35.601 4.038 -1.471 1.00 0.00 C ATOM 237 C THR A 326 35.412 4.274 -2.964 1.00 0.00 C ATOM 238 O THR A 326 36.381 4.416 -3.710 1.00 0.00 O ATOM 239 CB THR A 326 35.536 5.369 -0.720 1.00 0.00 C ATOM 240 OG1 THR A 326 34.504 6.189 -1.239 1.00 0.00 O ATOM 241 CG2 THR A 326 36.827 6.159 -0.787 1.00 0.00 C ATOM 0 H THR A 326 37.631 3.647 -1.813 1.00 0.00 H new ATOM 0 HA THR A 326 34.796 3.393 -1.120 1.00 0.00 H new ATOM 0 HB THR A 326 35.344 5.104 0.320 1.00 0.00 H new ATOM 0 HG1 THR A 326 34.478 7.035 -0.744 1.00 0.00 H new ATOM 0 HG21 THR A 326 36.712 7.091 -0.234 1.00 0.00 H new ATOM 0 HG22 THR A 326 37.635 5.574 -0.348 1.00 0.00 H new ATOM 0 HG23 THR A 326 37.064 6.381 -1.827 1.00 0.00 H new ATOM 249 N ILE A 327 34.155 4.314 -3.395 1.00 0.00 N ATOM 250 CA ILE A 327 33.833 4.533 -4.799 1.00 0.00 C ATOM 251 C ILE A 327 32.494 5.246 -4.949 1.00 0.00 C ATOM 252 O ILE A 327 31.663 5.227 -4.040 1.00 0.00 O ATOM 253 CB ILE A 327 33.785 3.205 -5.579 1.00 0.00 C ATOM 254 CG1 ILE A 327 35.024 2.361 -5.273 1.00 0.00 C ATOM 255 CG2 ILE A 327 33.674 3.473 -7.073 1.00 0.00 C ATOM 256 CD1 ILE A 327 35.055 1.042 -6.014 1.00 0.00 C ATOM 0 H ILE A 327 33.342 4.197 -2.790 1.00 0.00 H new ATOM 0 HA ILE A 327 34.624 5.159 -5.212 1.00 0.00 H new ATOM 0 HB ILE A 327 32.904 2.647 -5.263 1.00 0.00 H new ATOM 0 HG12 ILE A 327 35.916 2.933 -5.529 1.00 0.00 H new ATOM 0 HG13 ILE A 327 35.066 2.167 -4.201 1.00 0.00 H new ATOM 0 HG21 ILE A 327 33.641 2.526 -7.611 1.00 0.00 H new ATOM 0 HG22 ILE A 327 32.763 4.037 -7.275 1.00 0.00 H new ATOM 0 HG23 ILE A 327 34.538 4.049 -7.405 1.00 0.00 H new ATOM 0 HD11 ILE A 327 35.961 0.497 -5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 327 34.182 0.450 -5.740 1.00 0.00 H new ATOM 0 HD13 ILE A 327 35.045 1.228 -7.088 1.00 0.00 H new ATOM 268 N GLY A 328 32.289 5.875 -6.102 1.00 0.00 N ATOM 269 CA GLY A 328 31.048 6.583 -6.350 1.00 0.00 C ATOM 270 C GLY A 328 31.257 7.866 -7.131 1.00 0.00 C ATOM 271 O GLY A 328 32.374 8.170 -7.549 1.00 0.00 O ATOM 0 H GLY A 328 32.961 5.907 -6.869 1.00 0.00 H new ATOM 0 HA2 GLY A 328 30.367 5.934 -6.900 1.00 0.00 H new ATOM 0 HA3 GLY A 328 30.569 6.815 -5.399 1.00 0.00 H new