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= -1.63 K(o=-1.6,f=-0.39) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.434 5.934 -4.386 1.00 0.00 N ATOM 2 CA LYS A 312 27.325 5.742 -3.247 1.00 0.00 C ATOM 3 C LYS A 312 27.581 4.258 -3.000 1.00 0.00 C ATOM 4 O LYS A 312 26.655 3.495 -2.723 1.00 0.00 O ATOM 5 CB LYS A 312 26.729 6.383 -1.992 1.00 0.00 C ATOM 6 CG LYS A 312 26.743 7.903 -2.022 1.00 0.00 C ATOM 7 CD LYS A 312 28.157 8.450 -1.906 1.00 0.00 C ATOM 8 CE LYS A 312 28.154 9.927 -1.553 1.00 0.00 C ATOM 9 NZ LYS A 312 29.530 10.495 -1.529 1.00 0.00 N ATOM 0 HA LYS A 312 28.275 6.224 -3.477 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.702 6.039 -1.871 1.00 0.00 H new ATOM 0 HB3 LYS A 312 27.285 6.040 -1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 312 26.291 8.254 -2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 312 26.134 8.290 -1.205 1.00 0.00 H new ATOM 0 HD2 LYS A 312 28.702 7.894 -1.144 1.00 0.00 H new ATOM 0 HD3 LYS A 312 28.685 8.301 -2.848 1.00 0.00 H new ATOM 0 HE2 LYS A 312 27.549 10.472 -2.277 1.00 0.00 H new ATOM 0 HE3 LYS A 312 27.687 10.066 -0.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 29.485 11.505 -1.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 30.101 9.992 -0.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 29.967 10.385 -2.466 1.00 0.00 H new ATOM 23 N SER A 313 28.844 3.857 -3.101 1.00 0.00 N ATOM 24 CA SER A 313 29.224 2.466 -2.888 1.00 0.00 C ATOM 25 C SER A 313 30.644 2.371 -2.338 1.00 0.00 C ATOM 26 O SER A 313 31.616 2.533 -3.074 1.00 0.00 O ATOM 27 CB SER A 313 29.118 1.680 -4.196 1.00 0.00 C ATOM 28 OG SER A 313 29.260 2.535 -5.317 1.00 0.00 O ATOM 0 H SER A 313 29.622 4.476 -3.329 1.00 0.00 H new ATOM 0 HA SER A 313 28.539 2.035 -2.158 1.00 0.00 H new ATOM 0 HB2 SER A 313 29.887 0.908 -4.224 1.00 0.00 H new ATOM 0 HB3 SER A 313 28.155 1.172 -4.242 1.00 0.00 H new ATOM 0 HG SER A 313 29.190 2.009 -6.141 1.00 0.00 H new ATOM 34 N ILE A 314 30.756 2.108 -1.039 1.00 0.00 N ATOM 35 CA ILE A 314 32.059 1.993 -0.394 1.00 0.00 C ATOM 36 C ILE A 314 32.491 0.538 -0.282 1.00 0.00 C ATOM 37 O ILE A 314 31.667 -0.374 -0.346 1.00 0.00 O ATOM 38 CB ILE A 314 32.060 2.609 1.022 1.00 0.00 C ATOM 39 CG1 ILE A 314 31.063 3.766 1.119 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.459 3.083 1.389 1.00 0.00 C ATOM 41 CD1 ILE A 314 31.273 4.839 0.073 1.00 0.00 C ATOM 0 H ILE A 314 29.962 1.971 -0.414 1.00 0.00 H new ATOM 0 HA ILE A 314 32.759 2.542 -1.024 1.00 0.00 H new ATOM 0 HB ILE A 314 31.752 1.838 1.728 1.00 0.00 H new ATOM 0 HG12 ILE A 314 30.051 3.371 1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 314 31.138 4.216 2.109 1.00 0.00 H new ATOM 0 HG21 ILE A 314 33.446 3.515 2.390 1.00 0.00 H new ATOM 0 HG22 ILE A 314 34.147 2.238 1.368 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.788 3.836 0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.530 5.626 0.204 1.00 0.00 H new ATOM 0 HD12 ILE A 314 32.272 5.262 0.181 1.00 0.00 H new ATOM 0 HD13 ILE A 314 31.169 4.404 -0.921 1.00 0.00 H new ATOM 53 N ARG A 315 33.789 0.331 -0.100 1.00 0.00 N ATOM 54 CA ARG A 315 34.337 -1.010 0.038 1.00 0.00 C ATOM 55 C ARG A 315 35.336 -1.057 1.187 1.00 0.00 C ATOM 56 O ARG A 315 36.547 -0.998 0.977 1.00 0.00 O ATOM 57 CB ARG A 315 35.014 -1.447 -1.262 1.00 0.00 C ATOM 58 CG ARG A 315 35.515 -2.882 -1.235 1.00 0.00 C ATOM 59 CD ARG A 315 34.363 -3.874 -1.194 1.00 0.00 C ATOM 60 NE ARG A 315 33.729 -4.034 -2.500 1.00 0.00 N ATOM 61 CZ ARG A 315 34.232 -4.779 -3.483 1.00 0.00 C ATOM 62 NH1 ARG A 315 35.374 -5.434 -3.311 1.00 0.00 N ATOM 63 NH2 ARG A 315 33.590 -4.870 -4.640 1.00 0.00 N ATOM 0 H ARG A 315 34.482 1.077 -0.045 1.00 0.00 H new ATOM 0 HA ARG A 315 33.518 -1.696 0.254 1.00 0.00 H new ATOM 0 HB2 ARG A 315 34.309 -1.333 -2.085 1.00 0.00 H new ATOM 0 HB3 ARG A 315 35.853 -0.782 -1.466 1.00 0.00 H new ATOM 0 HG2 ARG A 315 36.128 -3.071 -2.116 1.00 0.00 H new ATOM 0 HG3 ARG A 315 36.154 -3.029 -0.364 1.00 0.00 H new ATOM 0 HD2 ARG A 315 34.730 -4.841 -0.849 1.00 0.00 H new ATOM 0 HD3 ARG A 315 33.621 -3.537 -0.470 1.00 0.00 H new ATOM 0 HE ARG A 315 32.849 -3.547 -2.669 1.00 0.00 H new ATOM 0 HH11 ARG A 315 35.871 -5.368 -2.423 1.00 0.00 H new ATOM 0 HH12 ARG A 315 35.754 -6.003 -4.067 1.00 0.00 H new ATOM 0 HH21 ARG A 315 32.712 -4.370 -4.777 1.00 0.00 H new ATOM 0 HH22 ARG A 315 33.975 -5.440 -5.393 1.00 0.00 H new ATOM 77 N ILE A 316 34.815 -1.150 2.406 1.00 0.00 N ATOM 78 CA ILE A 316 35.656 -1.191 3.595 1.00 0.00 C ATOM 79 C ILE A 316 35.424 -2.467 4.397 1.00 0.00 C ATOM 80 O ILE A 316 34.316 -2.723 4.870 1.00 0.00 O ATOM 81 CB ILE A 316 35.397 0.026 4.502 1.00 0.00 C ATOM 82 CG1 ILE A 316 33.905 0.357 4.538 1.00 0.00 C ATOM 83 CG2 ILE A 316 36.199 1.225 4.016 1.00 0.00 C ATOM 84 CD1 ILE A 316 33.583 1.561 5.390 1.00 0.00 C ATOM 0 H ILE A 316 33.814 -1.198 2.596 1.00 0.00 H new ATOM 0 HA ILE A 316 36.690 -1.170 3.251 1.00 0.00 H new ATOM 0 HB ILE A 316 35.718 -0.219 5.514 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.554 0.535 3.521 1.00 0.00 H new ATOM 0 HG13 ILE A 316 33.357 -0.506 4.918 1.00 0.00 H new ATOM 0 HG21 ILE A 316 36.007 2.079 4.666 1.00 0.00 H new ATOM 0 HG22 ILE A 316 37.262 0.985 4.037 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.903 1.471 2.996 1.00 0.00 H new ATOM 0 HD11 ILE A 316 32.508 1.742 5.373 1.00 0.00 H new ATOM 0 HD12 ILE A 316 33.904 1.377 6.415 1.00 0.00 H new ATOM 0 HD13 ILE A 316 34.104 2.434 4.998 1.00 0.00 H new ATOM 96 N GLN A 317 36.478 -3.261 4.551 1.00 0.00 N ATOM 97 CA GLN A 317 36.394 -4.509 5.301 1.00 0.00 C ATOM 98 C GLN A 317 37.583 -4.654 6.244 1.00 0.00 C ATOM 99 O GLN A 317 38.679 -4.172 5.956 1.00 0.00 O ATOM 100 CB GLN A 317 36.326 -5.711 4.351 1.00 0.00 C ATOM 101 CG GLN A 317 37.176 -5.563 3.098 1.00 0.00 C ATOM 102 CD GLN A 317 38.616 -5.984 3.316 1.00 0.00 C ATOM 103 OE1 GLN A 317 38.925 -7.174 3.378 1.00 0.00 O ATOM 104 NE2 GLN A 317 39.507 -5.006 3.434 1.00 0.00 N ATOM 0 H GLN A 317 37.401 -3.062 4.166 1.00 0.00 H new ATOM 0 HA GLN A 317 35.480 -4.482 5.894 1.00 0.00 H new ATOM 0 HB2 GLN A 317 36.644 -6.604 4.889 1.00 0.00 H new ATOM 0 HB3 GLN A 317 35.289 -5.869 4.056 1.00 0.00 H new ATOM 0 HG2 GLN A 317 36.743 -6.163 2.297 1.00 0.00 H new ATOM 0 HG3 GLN A 317 37.151 -4.525 2.767 1.00 0.00 H new ATOM 0 HE21 GLN A 317 39.207 -4.033 3.376 1.00 0.00 H new ATOM 0 HE22 GLN A 317 40.491 -5.228 3.582 1.00 0.00 H new ATOM 113 N ARG A 318 37.358 -5.314 7.377 1.00 0.00 N ATOM 114 CA ARG A 318 38.411 -5.514 8.367 1.00 0.00 C ATOM 115 C ARG A 318 39.176 -6.807 8.102 1.00 0.00 C ATOM 116 O ARG A 318 38.918 -7.505 7.122 1.00 0.00 O ATOM 117 CB ARG A 318 37.814 -5.544 9.774 1.00 0.00 C ATOM 118 CG ARG A 318 36.734 -6.599 9.955 1.00 0.00 C ATOM 119 CD ARG A 318 36.867 -7.311 11.292 1.00 0.00 C ATOM 120 NE ARG A 318 36.227 -6.568 12.375 1.00 0.00 N ATOM 121 CZ ARG A 318 36.118 -7.021 13.622 1.00 0.00 C ATOM 122 NH1 ARG A 318 36.605 -8.212 13.948 1.00 0.00 N ATOM 123 NH2 ARG A 318 35.521 -6.281 14.546 1.00 0.00 N ATOM 0 H ARG A 318 36.457 -5.719 7.632 1.00 0.00 H new ATOM 0 HA ARG A 318 39.109 -4.680 8.289 1.00 0.00 H new ATOM 0 HB2 ARG A 318 38.612 -5.726 10.494 1.00 0.00 H new ATOM 0 HB3 ARG A 318 37.395 -4.564 10.003 1.00 0.00 H new ATOM 0 HG2 ARG A 318 35.752 -6.131 9.887 1.00 0.00 H new ATOM 0 HG3 ARG A 318 36.796 -7.327 9.146 1.00 0.00 H new ATOM 0 HD2 ARG A 318 36.421 -8.303 11.220 1.00 0.00 H new ATOM 0 HD3 ARG A 318 37.923 -7.452 11.524 1.00 0.00 H new ATOM 0 HE ARG A 318 35.841 -5.648 12.163 1.00 0.00 H new ATOM 0 HH11 ARG A 318 37.066 -8.785 13.241 1.00 0.00 H new ATOM 0 HH12 ARG A 318 36.519 -8.554 14.905 1.00 0.00 H new ATOM 0 HH21 ARG A 318 35.145 -5.365 14.301 1.00 0.00 H new ATOM 0 HH22 ARG A 318 35.437 -6.628 15.502 1.00 0.00 H new ATOM 137 N GLY A 319 40.120 -7.118 8.984 1.00 0.00 N ATOM 138 CA GLY A 319 40.913 -8.325 8.833 1.00 0.00 C ATOM 139 C GLY A 319 42.388 -8.028 8.631 1.00 0.00 C ATOM 140 O GLY A 319 42.740 -7.004 8.045 1.00 0.00 O ATOM 0 H GLY A 319 40.351 -6.555 9.802 1.00 0.00 H new ATOM 0 HA2 GLY A 319 40.789 -8.951 9.717 1.00 0.00 H new ATOM 0 HA3 GLY A 319 40.541 -8.897 7.983 1.00 0.00 H new ATOM 144 N PRO A 320 43.283 -8.913 9.109 1.00 0.00 N ATOM 145 CA PRO A 320 44.731 -8.724 8.967 1.00 0.00 C ATOM 146 C PRO A 320 45.132 -8.392 7.533 1.00 0.00 C ATOM 147 O PRO A 320 44.907 -9.182 6.617 1.00 0.00 O ATOM 148 CB PRO A 320 45.304 -10.079 9.386 1.00 0.00 C ATOM 149 CG PRO A 320 44.290 -10.646 10.316 1.00 0.00 C ATOM 150 CD PRO A 320 42.955 -10.163 9.819 1.00 0.00 C ATOM 0 HA PRO A 320 45.097 -7.889 9.564 1.00 0.00 H new ATOM 0 HB2 PRO A 320 45.457 -10.728 8.524 1.00 0.00 H new ATOM 0 HB3 PRO A 320 46.271 -9.966 9.876 1.00 0.00 H new ATOM 0 HG2 PRO A 320 44.333 -11.735 10.323 1.00 0.00 H new ATOM 0 HG3 PRO A 320 44.469 -10.313 11.338 1.00 0.00 H new ATOM 0 HD2 PRO A 320 42.487 -10.890 9.156 1.00 0.00 H new ATOM 0 HD3 PRO A 320 42.261 -9.987 10.641 1.00 0.00 H new ATOM 158 N GLY A 321 45.722 -7.217 7.348 1.00 0.00 N ATOM 159 CA GLY A 321 46.140 -6.800 6.022 1.00 0.00 C ATOM 160 C GLY A 321 44.976 -6.327 5.175 1.00 0.00 C ATOM 161 O GLY A 321 44.964 -6.520 3.959 1.00 0.00 O ATOM 0 H GLY A 321 45.918 -6.546 8.091 1.00 0.00 H new ATOM 0 HA2 GLY A 321 46.872 -5.998 6.110 1.00 0.00 H new ATOM 0 HA3 GLY A 321 46.637 -7.631 5.522 1.00 0.00 H new ATOM 165 N ARG A 322 43.992 -5.709 5.821 1.00 0.00 N ATOM 166 CA ARG A 322 42.813 -5.207 5.123 1.00 0.00 C ATOM 167 C ARG A 322 43.024 -3.772 4.654 1.00 0.00 C ATOM 168 O ARG A 322 43.659 -2.970 5.338 1.00 0.00 O ATOM 169 CB ARG A 322 41.588 -5.280 6.038 1.00 0.00 C ATOM 170 CG ARG A 322 41.700 -4.408 7.277 1.00 0.00 C ATOM 171 CD ARG A 322 41.158 -3.009 7.028 1.00 0.00 C ATOM 172 NE ARG A 322 41.984 -1.981 7.656 1.00 0.00 N ATOM 173 CZ ARG A 322 42.079 -1.808 8.972 1.00 0.00 C ATOM 174 NH1 ARG A 322 41.406 -2.597 9.801 1.00 0.00 N ATOM 175 NH2 ARG A 322 42.851 -0.848 9.462 1.00 0.00 N ATOM 0 H ARG A 322 43.988 -5.544 6.828 1.00 0.00 H new ATOM 0 HA ARG A 322 42.646 -5.834 4.247 1.00 0.00 H new ATOM 0 HB2 ARG A 322 40.705 -4.982 5.473 1.00 0.00 H new ATOM 0 HB3 ARG A 322 41.436 -6.315 6.345 1.00 0.00 H new ATOM 0 HG2 ARG A 322 41.152 -4.870 8.098 1.00 0.00 H new ATOM 0 HG3 ARG A 322 42.744 -4.345 7.585 1.00 0.00 H new ATOM 0 HD2 ARG A 322 41.106 -2.826 5.955 1.00 0.00 H new ATOM 0 HD3 ARG A 322 40.140 -2.941 7.413 1.00 0.00 H new ATOM 0 HE ARG A 322 42.519 -1.359 7.050 1.00 0.00 H new ATOM 0 HH11 ARG A 322 40.813 -3.339 9.430 1.00 0.00 H new ATOM 0 HH12 ARG A 322 41.482 -2.461 10.809 1.00 0.00 H new ATOM 0 HH21 ARG A 322 43.373 -0.241 8.830 1.00 0.00 H new ATOM 0 HH22 ARG A 322 42.923 -0.716 10.471 1.00 0.00 H new ATOM 189 N ALA A 323 42.484 -3.455 3.481 1.00 0.00 N ATOM 190 CA ALA A 323 42.609 -2.116 2.918 1.00 0.00 C ATOM 191 C ALA A 323 41.239 -1.478 2.716 1.00 0.00 C ATOM 192 O ALA A 323 40.267 -2.161 2.395 1.00 0.00 O ATOM 193 CB ALA A 323 43.369 -2.167 1.601 1.00 0.00 C ATOM 0 H ALA A 323 41.956 -4.108 2.902 1.00 0.00 H new ATOM 0 HA ALA A 323 43.168 -1.501 3.623 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.455 -1.161 1.191 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.365 -2.576 1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.832 -2.801 0.895 1.00 0.00 H new ATOM 199 N PHE A 324 41.169 -0.164 2.907 1.00 0.00 N ATOM 200 CA PHE A 324 39.917 0.564 2.747 1.00 0.00 C ATOM 201 C PHE A 324 39.891 1.322 1.423 1.00 0.00 C ATOM 202 O PHE A 324 40.870 1.967 1.046 1.00 0.00 O ATOM 203 CB PHE A 324 39.715 1.539 3.909 1.00 0.00 C ATOM 204 CG PHE A 324 39.612 0.864 5.247 1.00 0.00 C ATOM 205 CD1 PHE A 324 38.661 -0.119 5.471 1.00 0.00 C ATOM 206 CD2 PHE A 324 40.466 1.213 6.280 1.00 0.00 C ATOM 207 CE1 PHE A 324 38.564 -0.741 6.702 1.00 0.00 C ATOM 208 CE2 PHE A 324 40.374 0.594 7.513 1.00 0.00 C ATOM 209 CZ PHE A 324 39.423 -0.384 7.724 1.00 0.00 C ATOM 0 H PHE A 324 41.964 0.417 3.172 1.00 0.00 H new ATOM 0 HA PHE A 324 39.104 -0.162 2.745 1.00 0.00 H new ATOM 0 HB2 PHE A 324 40.546 2.244 3.930 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.809 2.119 3.733 1.00 0.00 H new ATOM 0 HD1 PHE A 324 37.988 -0.402 4.675 1.00 0.00 H new ATOM 0 HD2 PHE A 324 41.212 1.977 6.121 1.00 0.00 H new ATOM 0 HE1 PHE A 324 37.818 -1.505 6.865 1.00 0.00 H new ATOM 0 HE2 PHE A 324 41.046 0.876 8.310 1.00 0.00 H new ATOM 0 HZ PHE A 324 39.350 -0.869 8.686 1.00 0.00 H new ATOM 219 N VAL A 325 38.764 1.240 0.722 1.00 0.00 N ATOM 220 CA VAL A 325 38.608 1.919 -0.558 1.00 0.00 C ATOM 221 C VAL A 325 37.151 2.306 -0.800 1.00 0.00 C ATOM 222 O VAL A 325 36.249 1.479 -0.666 1.00 0.00 O ATOM 223 CB VAL A 325 39.098 1.038 -1.725 1.00 0.00 C ATOM 224 CG1 VAL A 325 38.293 -0.251 -1.800 1.00 0.00 C ATOM 225 CG2 VAL A 325 39.024 1.799 -3.040 1.00 0.00 C ATOM 0 H VAL A 325 37.945 0.709 1.020 1.00 0.00 H new ATOM 0 HA VAL A 325 39.218 2.822 -0.515 1.00 0.00 H new ATOM 0 HB VAL A 325 40.140 0.777 -1.542 1.00 0.00 H new ATOM 0 HG11 VAL A 325 38.655 -0.858 -2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 325 38.406 -0.805 -0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 325 37.240 -0.014 -1.955 1.00 0.00 H new ATOM 0 HG21 VAL A 325 39.374 1.160 -3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 325 37.993 2.095 -3.231 1.00 0.00 H new ATOM 0 HG23 VAL A 325 39.652 2.688 -2.982 1.00 0.00 H new ATOM 235 N THR A 326 36.930 3.568 -1.152 1.00 0.00 N ATOM 236 CA THR A 326 35.587 4.066 -1.409 1.00 0.00 C ATOM 237 C THR A 326 35.373 4.318 -2.898 1.00 0.00 C ATOM 238 O THR A 326 36.308 4.658 -3.622 1.00 0.00 O ATOM 239 CB THR A 326 35.338 5.353 -0.620 1.00 0.00 C ATOM 240 OG1 THR A 326 36.022 6.444 -1.210 1.00 0.00 O ATOM 241 CG2 THR A 326 35.778 5.263 0.825 1.00 0.00 C ATOM 0 H THR A 326 37.666 4.265 -1.266 1.00 0.00 H new ATOM 0 HA THR A 326 34.877 3.305 -1.084 1.00 0.00 H new ATOM 0 HB THR A 326 34.259 5.503 -0.646 1.00 0.00 H new ATOM 0 HG1 THR A 326 35.849 7.258 -0.692 1.00 0.00 H new ATOM 0 HG21 THR A 326 35.573 6.208 1.327 1.00 0.00 H new ATOM 0 HG22 THR A 326 35.231 4.462 1.323 1.00 0.00 H new ATOM 0 HG23 THR A 326 36.847 5.054 0.868 1.00 0.00 H new ATOM 249 N ILE A 327 34.134 4.148 -3.349 1.00 0.00 N ATOM 250 CA ILE A 327 33.794 4.358 -4.751 1.00 0.00 C ATOM 251 C ILE A 327 32.446 5.056 -4.890 1.00 0.00 C ATOM 252 O ILE A 327 31.549 4.863 -4.070 1.00 0.00 O ATOM 253 CB ILE A 327 33.750 3.026 -5.525 1.00 0.00 C ATOM 254 CG1 ILE A 327 35.007 2.202 -5.236 1.00 0.00 C ATOM 255 CG2 ILE A 327 33.610 3.285 -7.017 1.00 0.00 C ATOM 256 CD1 ILE A 327 34.798 1.129 -4.191 1.00 0.00 C ATOM 0 H ILE A 327 33.349 3.865 -2.763 1.00 0.00 H new ATOM 0 HA ILE A 327 34.575 4.990 -5.174 1.00 0.00 H new ATOM 0 HB ILE A 327 32.882 2.457 -5.193 1.00 0.00 H new ATOM 0 HG12 ILE A 327 35.347 1.736 -6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 327 35.802 2.870 -4.905 1.00 0.00 H new ATOM 0 HG21 ILE A 327 33.580 2.335 -7.550 1.00 0.00 H new ATOM 0 HG22 ILE A 327 32.689 3.836 -7.206 1.00 0.00 H new ATOM 0 HG23 ILE A 327 34.461 3.870 -7.366 1.00 0.00 H new ATOM 0 HD11 ILE A 327 35.730 0.585 -4.037 1.00 0.00 H new ATOM 0 HD12 ILE A 327 34.488 1.590 -3.253 1.00 0.00 H new ATOM 0 HD13 ILE A 327 34.026 0.438 -4.529 1.00 0.00 H new ATOM 268 N GLY A 328 32.310 5.869 -5.933 1.00 0.00 N ATOM 269 CA GLY A 328 31.068 6.583 -6.160 1.00 0.00 C ATOM 270 C GLY A 328 31.293 8.043 -6.504 1.00 0.00 C ATOM 271 O GLY A 328 32.432 8.504 -6.563 1.00 0.00 O ATOM 0 H GLY A 328 33.038 6.046 -6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 328 30.519 6.102 -6.970 1.00 0.00 H new ATOM 0 HA3 GLY A 328 30.445 6.515 -5.268 1.00 0.00 H new TER 275 GLY A 328