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= -3.91 K(o=-3.9,f=-7!) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.107 5.622 -4.384 1.00 0.00 N ATOM 2 CA LYS A 312 27.107 5.487 -3.332 1.00 0.00 C ATOM 3 C LYS A 312 27.369 4.020 -3.011 1.00 0.00 C ATOM 4 O LYS A 312 26.487 3.313 -2.524 1.00 0.00 O ATOM 5 CB LYS A 312 26.653 6.225 -2.071 1.00 0.00 C ATOM 6 CG LYS A 312 27.135 7.665 -2.002 1.00 0.00 C ATOM 7 CD LYS A 312 28.553 7.751 -1.461 1.00 0.00 C ATOM 8 CE LYS A 312 28.564 8.114 0.015 1.00 0.00 C ATOM 9 NZ LYS A 312 29.878 8.670 0.440 1.00 0.00 N ATOM 0 HA LYS A 312 28.036 5.931 -3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.564 6.213 -2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 312 27.015 5.687 -1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 312 27.096 8.111 -2.996 1.00 0.00 H new ATOM 0 HG3 LYS A 312 26.466 8.244 -1.366 1.00 0.00 H new ATOM 0 HD2 LYS A 312 29.058 6.796 -1.606 1.00 0.00 H new ATOM 0 HD3 LYS A 312 29.114 8.496 -2.024 1.00 0.00 H new ATOM 0 HE2 LYS A 312 27.779 8.843 0.215 1.00 0.00 H new ATOM 0 HE3 LYS A 312 28.335 7.229 0.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 29.844 8.905 1.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 30.624 7.965 0.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 30.085 9.529 -0.108 1.00 0.00 H new ATOM 23 N SER A 313 28.589 3.570 -3.284 1.00 0.00 N ATOM 24 CA SER A 313 28.971 2.187 -3.022 1.00 0.00 C ATOM 25 C SER A 313 30.364 2.119 -2.403 1.00 0.00 C ATOM 26 O SER A 313 31.370 2.243 -3.101 1.00 0.00 O ATOM 27 CB SER A 313 28.933 1.370 -4.314 1.00 0.00 C ATOM 28 OG SER A 313 27.638 1.386 -4.890 1.00 0.00 O ATOM 0 H SER A 313 29.331 4.143 -3.687 1.00 0.00 H new ATOM 0 HA SER A 313 28.256 1.765 -2.315 1.00 0.00 H new ATOM 0 HB2 SER A 313 29.655 1.773 -5.024 1.00 0.00 H new ATOM 0 HB3 SER A 313 29.229 0.342 -4.107 1.00 0.00 H new ATOM 0 HG SER A 313 27.641 0.858 -5.716 1.00 0.00 H new ATOM 34 N ILE A 314 30.415 1.926 -1.088 1.00 0.00 N ATOM 35 CA ILE A 314 31.686 1.846 -0.378 1.00 0.00 C ATOM 36 C ILE A 314 32.131 0.402 -0.198 1.00 0.00 C ATOM 37 O ILE A 314 31.324 -0.525 -0.271 1.00 0.00 O ATOM 38 CB ILE A 314 31.616 2.503 1.017 1.00 0.00 C ATOM 39 CG1 ILE A 314 30.608 3.652 1.033 1.00 0.00 C ATOM 40 CG2 ILE A 314 32.992 2.998 1.435 1.00 0.00 C ATOM 41 CD1 ILE A 314 30.922 4.746 0.035 1.00 0.00 C ATOM 0 H ILE A 314 29.592 1.822 -0.494 1.00 0.00 H new ATOM 0 HA ILE A 314 32.405 2.385 -0.994 1.00 0.00 H new ATOM 0 HB ILE A 314 31.280 1.751 1.731 1.00 0.00 H new ATOM 0 HG12 ILE A 314 29.614 3.256 0.825 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.576 4.083 2.034 1.00 0.00 H new ATOM 0 HG21 ILE A 314 32.929 3.459 2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 314 33.685 2.158 1.471 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.349 3.732 0.713 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.165 5.528 0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 314 31.902 5.169 0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 314 30.925 4.330 -0.972 1.00 0.00 H new ATOM 53 N ARG A 315 33.421 0.223 0.053 1.00 0.00 N ATOM 54 CA ARG A 315 33.983 -1.102 0.265 1.00 0.00 C ATOM 55 C ARG A 315 34.919 -1.089 1.468 1.00 0.00 C ATOM 56 O ARG A 315 36.139 -1.016 1.320 1.00 0.00 O ATOM 57 CB ARG A 315 34.735 -1.571 -0.981 1.00 0.00 C ATOM 58 CG ARG A 315 34.658 -3.072 -1.209 1.00 0.00 C ATOM 59 CD ARG A 315 33.521 -3.436 -2.150 1.00 0.00 C ATOM 60 NE ARG A 315 32.276 -3.694 -1.431 1.00 0.00 N ATOM 61 CZ ARG A 315 31.246 -4.361 -1.947 1.00 0.00 C ATOM 62 NH1 ARG A 315 31.307 -4.837 -3.185 1.00 0.00 N ATOM 63 NH2 ARG A 315 30.151 -4.552 -1.223 1.00 0.00 N ATOM 0 H ARG A 315 34.099 0.982 0.115 1.00 0.00 H new ATOM 0 HA ARG A 315 33.166 -1.797 0.460 1.00 0.00 H new ATOM 0 HB2 ARG A 315 34.331 -1.058 -1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 315 35.781 -1.278 -0.895 1.00 0.00 H new ATOM 0 HG2 ARG A 315 35.602 -3.427 -1.623 1.00 0.00 H new ATOM 0 HG3 ARG A 315 34.518 -3.579 -0.254 1.00 0.00 H new ATOM 0 HD2 ARG A 315 33.367 -2.626 -2.862 1.00 0.00 H new ATOM 0 HD3 ARG A 315 33.796 -4.319 -2.726 1.00 0.00 H new ATOM 0 HE ARG A 315 32.191 -3.342 -0.477 1.00 0.00 H new ATOM 0 HH11 ARG A 315 32.146 -4.692 -3.746 1.00 0.00 H new ATOM 0 HH12 ARG A 315 30.515 -5.347 -3.575 1.00 0.00 H new ATOM 0 HH21 ARG A 315 30.099 -4.188 -0.272 1.00 0.00 H new ATOM 0 HH22 ARG A 315 29.361 -5.063 -1.618 1.00 0.00 H new ATOM 77 N ILE A 316 34.335 -1.150 2.659 1.00 0.00 N ATOM 78 CA ILE A 316 35.111 -1.134 3.894 1.00 0.00 C ATOM 79 C ILE A 316 35.056 -2.482 4.602 1.00 0.00 C ATOM 80 O ILE A 316 34.005 -2.898 5.091 1.00 0.00 O ATOM 81 CB ILE A 316 34.621 -0.036 4.859 1.00 0.00 C ATOM 82 CG1 ILE A 316 33.112 0.176 4.723 1.00 0.00 C ATOM 83 CG2 ILE A 316 35.365 1.266 4.596 1.00 0.00 C ATOM 84 CD1 ILE A 316 32.576 1.252 5.636 1.00 0.00 C ATOM 0 H ILE A 316 33.326 -1.211 2.796 1.00 0.00 H new ATOM 0 HA ILE A 316 36.142 -0.921 3.610 1.00 0.00 H new ATOM 0 HB ILE A 316 34.828 -0.360 5.879 1.00 0.00 H new ATOM 0 HG12 ILE A 316 32.880 0.437 3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 316 32.599 -0.762 4.938 1.00 0.00 H new ATOM 0 HG21 ILE A 316 35.010 2.033 5.284 1.00 0.00 H new ATOM 0 HG22 ILE A 316 36.434 1.111 4.746 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.185 1.587 3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 316 31.500 1.351 5.489 1.00 0.00 H new ATOM 0 HD12 ILE A 316 32.777 0.983 6.673 1.00 0.00 H new ATOM 0 HD13 ILE A 316 33.063 2.200 5.406 1.00 0.00 H new ATOM 96 N GLN A 317 36.198 -3.159 4.658 1.00 0.00 N ATOM 97 CA GLN A 317 36.288 -4.461 5.309 1.00 0.00 C ATOM 98 C GLN A 317 37.571 -4.566 6.128 1.00 0.00 C ATOM 99 O GLN A 317 38.636 -4.131 5.691 1.00 0.00 O ATOM 100 CB GLN A 317 36.234 -5.587 4.272 1.00 0.00 C ATOM 101 CG GLN A 317 37.009 -5.292 2.996 1.00 0.00 C ATOM 102 CD GLN A 317 38.465 -5.703 3.090 1.00 0.00 C ATOM 103 OE1 GLN A 317 38.797 -6.884 2.991 1.00 0.00 O ATOM 104 NE2 GLN A 317 39.342 -4.725 3.284 1.00 0.00 N ATOM 0 H GLN A 317 37.076 -2.827 4.259 1.00 0.00 H new ATOM 0 HA GLN A 317 35.436 -4.563 5.981 1.00 0.00 H new ATOM 0 HB2 GLN A 317 36.627 -6.499 4.721 1.00 0.00 H new ATOM 0 HB3 GLN A 317 35.193 -5.781 4.016 1.00 0.00 H new ATOM 0 HG2 GLN A 317 36.541 -5.815 2.162 1.00 0.00 H new ATOM 0 HG3 GLN A 317 36.950 -4.226 2.778 1.00 0.00 H new ATOM 0 HE21 GLN A 317 39.021 -3.760 3.360 1.00 0.00 H new ATOM 0 HE22 GLN A 317 40.337 -4.939 3.357 1.00 0.00 H new ATOM 113 N ARG A 318 37.461 -5.144 7.319 1.00 0.00 N ATOM 114 CA ARG A 318 38.612 -5.302 8.201 1.00 0.00 C ATOM 115 C ARG A 318 39.321 -6.627 7.944 1.00 0.00 C ATOM 116 O ARG A 318 38.760 -7.538 7.335 1.00 0.00 O ATOM 117 CB ARG A 318 38.178 -5.216 9.665 1.00 0.00 C ATOM 118 CG ARG A 318 37.184 -6.292 10.071 1.00 0.00 C ATOM 119 CD ARG A 318 36.751 -6.132 11.520 1.00 0.00 C ATOM 120 NE ARG A 318 35.313 -6.329 11.686 1.00 0.00 N ATOM 121 CZ ARG A 318 34.626 -5.911 12.747 1.00 0.00 C ATOM 122 NH1 ARG A 318 35.240 -5.275 13.737 1.00 0.00 N ATOM 123 NH2 ARG A 318 33.319 -6.129 12.818 1.00 0.00 N ATOM 0 H ARG A 318 36.587 -5.511 7.696 1.00 0.00 H new ATOM 0 HA ARG A 318 39.310 -4.492 7.990 1.00 0.00 H new ATOM 0 HB2 ARG A 318 39.060 -5.290 10.301 1.00 0.00 H new ATOM 0 HB3 ARG A 318 37.735 -4.237 9.847 1.00 0.00 H new ATOM 0 HG2 ARG A 318 36.310 -6.245 9.422 1.00 0.00 H new ATOM 0 HG3 ARG A 318 37.633 -7.275 9.931 1.00 0.00 H new ATOM 0 HD2 ARG A 318 37.289 -6.849 12.140 1.00 0.00 H new ATOM 0 HD3 ARG A 318 37.024 -5.137 11.872 1.00 0.00 H new ATOM 0 HE ARG A 318 34.806 -6.815 10.946 1.00 0.00 H new ATOM 0 HH11 ARG A 318 36.244 -5.104 13.688 1.00 0.00 H new ATOM 0 HH12 ARG A 318 34.708 -4.957 14.547 1.00 0.00 H new ATOM 0 HH21 ARG A 318 32.841 -6.617 12.060 1.00 0.00 H new ATOM 0 HH22 ARG A 318 32.792 -5.809 13.631 1.00 0.00 H new ATOM 137 N GLY A 319 40.560 -6.726 8.416 1.00 0.00 N ATOM 138 CA GLY A 319 41.332 -7.941 8.231 1.00 0.00 C ATOM 139 C GLY A 319 42.813 -7.726 8.478 1.00 0.00 C ATOM 140 O GLY A 319 43.278 -6.586 8.511 1.00 0.00 O ATOM 0 H GLY A 319 41.043 -5.985 8.924 1.00 0.00 H new ATOM 0 HA2 GLY A 319 40.961 -8.711 8.908 1.00 0.00 H new ATOM 0 HA3 GLY A 319 41.185 -8.311 7.216 1.00 0.00 H new ATOM 144 N PRO A 320 43.589 -8.809 8.658 1.00 0.00 N ATOM 145 CA PRO A 320 45.031 -8.714 8.905 1.00 0.00 C ATOM 146 C PRO A 320 45.738 -7.840 7.874 1.00 0.00 C ATOM 147 O PRO A 320 45.969 -8.263 6.741 1.00 0.00 O ATOM 148 CB PRO A 320 45.506 -10.164 8.793 1.00 0.00 C ATOM 149 CG PRO A 320 44.310 -10.981 9.138 1.00 0.00 C ATOM 150 CD PRO A 320 43.120 -10.207 8.636 1.00 0.00 C ATOM 0 HA PRO A 320 45.251 -8.253 9.868 1.00 0.00 H new ATOM 0 HB2 PRO A 320 45.862 -10.388 7.787 1.00 0.00 H new ATOM 0 HB3 PRO A 320 46.332 -10.364 9.475 1.00 0.00 H new ATOM 0 HG2 PRO A 320 44.361 -11.964 8.671 1.00 0.00 H new ATOM 0 HG3 PRO A 320 44.245 -11.142 10.214 1.00 0.00 H new ATOM 0 HD2 PRO A 320 42.832 -10.519 7.632 1.00 0.00 H new ATOM 0 HD3 PRO A 320 42.249 -10.349 9.276 1.00 0.00 H new ATOM 158 N GLY A 321 46.081 -6.620 8.275 1.00 0.00 N ATOM 159 CA GLY A 321 46.760 -5.706 7.375 1.00 0.00 C ATOM 160 C GLY A 321 45.947 -5.408 6.129 1.00 0.00 C ATOM 161 O GLY A 321 46.455 -5.499 5.012 1.00 0.00 O ATOM 0 H GLY A 321 45.901 -6.248 9.207 1.00 0.00 H new ATOM 0 HA2 GLY A 321 46.970 -4.774 7.899 1.00 0.00 H new ATOM 0 HA3 GLY A 321 47.720 -6.133 7.085 1.00 0.00 H new ATOM 165 N ARG A 322 44.682 -5.051 6.321 1.00 0.00 N ATOM 166 CA ARG A 322 43.797 -4.740 5.205 1.00 0.00 C ATOM 167 C ARG A 322 43.576 -3.235 5.088 1.00 0.00 C ATOM 168 O ARG A 322 43.780 -2.490 6.047 1.00 0.00 O ATOM 169 CB ARG A 322 42.454 -5.452 5.378 1.00 0.00 C ATOM 170 CG ARG A 322 42.513 -6.941 5.077 1.00 0.00 C ATOM 171 CD ARG A 322 41.275 -7.410 4.328 1.00 0.00 C ATOM 172 NE ARG A 322 40.759 -8.670 4.860 1.00 0.00 N ATOM 173 CZ ARG A 322 41.338 -9.851 4.659 1.00 0.00 C ATOM 174 NH1 ARG A 322 42.447 -9.941 3.935 1.00 0.00 N ATOM 175 NH2 ARG A 322 40.804 -10.947 5.181 1.00 0.00 N ATOM 0 H ARG A 322 44.246 -4.970 7.240 1.00 0.00 H new ATOM 0 HA ARG A 322 44.272 -5.092 4.289 1.00 0.00 H new ATOM 0 HB2 ARG A 322 42.106 -5.310 6.401 1.00 0.00 H new ATOM 0 HB3 ARG A 322 41.718 -4.986 4.723 1.00 0.00 H new ATOM 0 HG2 ARG A 322 43.402 -7.158 4.484 1.00 0.00 H new ATOM 0 HG3 ARG A 322 42.608 -7.498 6.009 1.00 0.00 H new ATOM 0 HD2 ARG A 322 40.501 -6.645 4.392 1.00 0.00 H new ATOM 0 HD3 ARG A 322 41.515 -7.533 3.272 1.00 0.00 H new ATOM 0 HE ARG A 322 39.905 -8.642 5.418 1.00 0.00 H new ATOM 0 HH11 ARG A 322 42.860 -9.102 3.529 1.00 0.00 H new ATOM 0 HH12 ARG A 322 42.886 -10.850 3.785 1.00 0.00 H new ATOM 0 HH21 ARG A 322 39.950 -10.884 5.736 1.00 0.00 H new ATOM 0 HH22 ARG A 322 41.247 -11.853 5.028 1.00 0.00 H new ATOM 189 N ALA A 323 43.156 -2.794 3.906 1.00 0.00 N ATOM 190 CA ALA A 323 42.906 -1.379 3.662 1.00 0.00 C ATOM 191 C ALA A 323 41.432 -1.126 3.365 1.00 0.00 C ATOM 192 O ALA A 323 40.658 -2.064 3.171 1.00 0.00 O ATOM 193 CB ALA A 323 43.771 -0.880 2.514 1.00 0.00 C ATOM 0 H ALA A 323 42.982 -3.397 3.102 1.00 0.00 H new ATOM 0 HA ALA A 323 43.168 -0.828 4.565 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.574 0.178 2.343 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.823 -1.017 2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 323 43.537 -1.443 1.611 1.00 0.00 H new ATOM 199 N PHE A 324 41.048 0.146 3.329 1.00 0.00 N ATOM 200 CA PHE A 324 39.665 0.518 3.055 1.00 0.00 C ATOM 201 C PHE A 324 39.539 1.186 1.690 1.00 0.00 C ATOM 202 O PHE A 324 40.426 1.925 1.265 1.00 0.00 O ATOM 203 CB PHE A 324 39.142 1.457 4.144 1.00 0.00 C ATOM 204 CG PHE A 324 39.037 0.809 5.496 1.00 0.00 C ATOM 205 CD1 PHE A 324 38.489 -0.455 5.632 1.00 0.00 C ATOM 206 CD2 PHE A 324 39.488 1.467 6.630 1.00 0.00 C ATOM 207 CE1 PHE A 324 38.392 -1.054 6.874 1.00 0.00 C ATOM 208 CE2 PHE A 324 39.393 0.874 7.874 1.00 0.00 C ATOM 209 CZ PHE A 324 38.844 -0.388 7.997 1.00 0.00 C ATOM 0 H PHE A 324 41.674 0.936 3.486 1.00 0.00 H new ATOM 0 HA PHE A 324 39.066 -0.393 3.050 1.00 0.00 H new ATOM 0 HB2 PHE A 324 39.802 2.321 4.215 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.160 1.829 3.851 1.00 0.00 H new ATOM 0 HD1 PHE A 324 38.133 -0.979 4.757 1.00 0.00 H new ATOM 0 HD2 PHE A 324 39.918 2.454 6.540 1.00 0.00 H new ATOM 0 HE1 PHE A 324 37.964 -2.041 6.966 1.00 0.00 H new ATOM 0 HE2 PHE A 324 39.748 1.397 8.750 1.00 0.00 H new ATOM 0 HZ PHE A 324 38.768 -0.853 8.969 1.00 0.00 H new ATOM 219 N VAL A 325 38.431 0.919 1.007 1.00 0.00 N ATOM 220 CA VAL A 325 38.186 1.492 -0.310 1.00 0.00 C ATOM 221 C VAL A 325 36.822 2.171 -0.367 1.00 0.00 C ATOM 222 O VAL A 325 35.942 1.885 0.445 1.00 0.00 O ATOM 223 CB VAL A 325 38.260 0.418 -1.413 1.00 0.00 C ATOM 224 CG1 VAL A 325 38.160 1.054 -2.791 1.00 0.00 C ATOM 225 CG2 VAL A 325 39.542 -0.393 -1.286 1.00 0.00 C ATOM 0 H VAL A 325 37.687 0.308 1.345 1.00 0.00 H new ATOM 0 HA VAL A 325 38.966 2.233 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 325 37.414 -0.258 -1.289 1.00 0.00 H new ATOM 0 HG11 VAL A 325 38.214 0.278 -3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 325 37.212 1.584 -2.879 1.00 0.00 H new ATOM 0 HG13 VAL A 325 38.982 1.756 -2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 325 39.576 -1.146 -2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 325 40.402 0.269 -1.380 1.00 0.00 H new ATOM 0 HG23 VAL A 325 39.567 -0.884 -0.313 1.00 0.00 H new ATOM 235 N THR A 326 36.652 3.071 -1.330 1.00 0.00 N ATOM 236 CA THR A 326 35.395 3.788 -1.491 1.00 0.00 C ATOM 237 C THR A 326 35.148 4.131 -2.956 1.00 0.00 C ATOM 238 O THR A 326 36.051 4.585 -3.660 1.00 0.00 O ATOM 239 CB THR A 326 35.399 5.065 -0.649 1.00 0.00 C ATOM 240 OG1 THR A 326 36.217 6.056 -1.245 1.00 0.00 O ATOM 241 CG2 THR A 326 35.896 4.848 0.765 1.00 0.00 C ATOM 0 H THR A 326 37.370 3.320 -2.010 1.00 0.00 H new ATOM 0 HA THR A 326 34.589 3.139 -1.148 1.00 0.00 H new ATOM 0 HB THR A 326 34.358 5.386 -0.606 1.00 0.00 H new ATOM 0 HG1 THR A 326 36.205 6.865 -0.693 1.00 0.00 H new ATOM 0 HG21 THR A 326 35.873 5.793 1.308 1.00 0.00 H new ATOM 0 HG22 THR A 326 35.255 4.125 1.269 1.00 0.00 H new ATOM 0 HG23 THR A 326 36.918 4.470 0.737 1.00 0.00 H new ATOM 249 N ILE A 327 33.918 3.913 -3.409 1.00 0.00 N ATOM 250 CA ILE A 327 33.549 4.200 -4.790 1.00 0.00 C ATOM 251 C ILE A 327 32.293 5.062 -4.854 1.00 0.00 C ATOM 252 O ILE A 327 31.302 4.783 -4.180 1.00 0.00 O ATOM 253 CB ILE A 327 33.309 2.905 -5.589 1.00 0.00 C ATOM 254 CG1 ILE A 327 34.468 1.929 -5.379 1.00 0.00 C ATOM 255 CG2 ILE A 327 33.135 3.219 -7.067 1.00 0.00 C ATOM 256 CD1 ILE A 327 34.144 0.510 -5.789 1.00 0.00 C ATOM 0 H ILE A 327 33.159 3.538 -2.839 1.00 0.00 H new ATOM 0 HA ILE A 327 34.384 4.742 -5.234 1.00 0.00 H new ATOM 0 HB ILE A 327 32.394 2.436 -5.227 1.00 0.00 H new ATOM 0 HG12 ILE A 327 35.331 2.275 -5.948 1.00 0.00 H new ATOM 0 HG13 ILE A 327 34.754 1.938 -4.327 1.00 0.00 H new ATOM 0 HG21 ILE A 327 32.966 2.294 -7.618 1.00 0.00 H new ATOM 0 HG22 ILE A 327 32.280 3.882 -7.200 1.00 0.00 H new ATOM 0 HG23 ILE A 327 34.034 3.707 -7.444 1.00 0.00 H new ATOM 0 HD11 ILE A 327 35.011 -0.127 -5.613 1.00 0.00 H new ATOM 0 HD12 ILE A 327 33.301 0.145 -5.203 1.00 0.00 H new ATOM 0 HD13 ILE A 327 33.887 0.487 -6.848 1.00 0.00 H new ATOM 268 N GLY A 328 32.342 6.111 -5.669 1.00 0.00 N ATOM 269 CA GLY A 328 31.201 6.996 -5.804 1.00 0.00 C ATOM 270 C GLY A 328 31.136 7.657 -7.167 1.00 0.00 C ATOM 271 O GLY A 328 32.166 7.888 -7.802 1.00 0.00 O ATOM 0 H GLY A 328 33.151 6.363 -6.237 1.00 0.00 H new ATOM 0 HA2 GLY A 328 30.285 6.431 -5.634 1.00 0.00 H new ATOM 0 HA3 GLY A 328 31.249 7.765 -5.033 1.00 0.00 H new TER 275 GLY A 328