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= -2.97 K(o=-3,f=-4.4!) USER MOD Single : A 326 THR OG1 : rot 180:sc= -0.0192 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.047 5.950 -3.469 1.00 0.00 N ATOM 2 CA LYS A 312 26.894 5.650 -2.321 1.00 0.00 C ATOM 3 C LYS A 312 27.297 4.179 -2.311 1.00 0.00 C ATOM 4 O LYS A 312 26.463 3.299 -2.095 1.00 0.00 O ATOM 5 CB LYS A 312 26.169 6.002 -1.020 1.00 0.00 C ATOM 6 CG LYS A 312 25.942 7.492 -0.835 1.00 0.00 C ATOM 7 CD LYS A 312 27.157 8.169 -0.222 1.00 0.00 C ATOM 8 CE LYS A 312 27.149 9.668 -0.477 1.00 0.00 C ATOM 9 NZ LYS A 312 28.527 10.220 -0.593 1.00 0.00 N ATOM 0 HA LYS A 312 27.798 6.254 -2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.206 5.491 -1.001 1.00 0.00 H new ATOM 0 HB3 LYS A 312 26.748 5.624 -0.177 1.00 0.00 H new ATOM 0 HG2 LYS A 312 25.717 7.949 -1.799 1.00 0.00 H new ATOM 0 HG3 LYS A 312 25.074 7.652 -0.196 1.00 0.00 H new ATOM 0 HD2 LYS A 312 27.176 7.982 0.852 1.00 0.00 H new ATOM 0 HD3 LYS A 312 28.066 7.733 -0.637 1.00 0.00 H new ATOM 0 HE2 LYS A 312 26.596 9.877 -1.393 1.00 0.00 H new ATOM 0 HE3 LYS A 312 26.624 10.171 0.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 28.477 11.244 -0.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 29.047 10.043 0.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 29.020 9.759 -1.384 1.00 0.00 H new ATOM 23 N SER A 313 28.580 3.921 -2.546 1.00 0.00 N ATOM 24 CA SER A 313 29.094 2.556 -2.564 1.00 0.00 C ATOM 25 C SER A 313 30.499 2.500 -1.972 1.00 0.00 C ATOM 26 O SER A 313 31.470 2.895 -2.617 1.00 0.00 O ATOM 27 CB SER A 313 29.108 2.012 -3.993 1.00 0.00 C ATOM 28 OG SER A 313 27.799 1.962 -4.533 1.00 0.00 O ATOM 0 H SER A 313 29.282 4.639 -2.726 1.00 0.00 H new ATOM 0 HA SER A 313 28.435 1.937 -1.955 1.00 0.00 H new ATOM 0 HB2 SER A 313 29.739 2.643 -4.619 1.00 0.00 H new ATOM 0 HB3 SER A 313 29.546 1.014 -4.001 1.00 0.00 H new ATOM 0 HG SER A 313 27.836 1.612 -5.448 1.00 0.00 H new ATOM 34 N ILE A 314 30.600 2.010 -0.741 1.00 0.00 N ATOM 35 CA ILE A 314 31.889 1.906 -0.065 1.00 0.00 C ATOM 36 C ILE A 314 32.519 0.539 -0.283 1.00 0.00 C ATOM 37 O ILE A 314 31.837 -0.429 -0.617 1.00 0.00 O ATOM 38 CB ILE A 314 31.768 2.142 1.454 1.00 0.00 C ATOM 39 CG1 ILE A 314 30.671 3.160 1.768 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.102 2.606 2.021 1.00 0.00 C ATOM 41 CD1 ILE A 314 30.847 4.481 1.050 1.00 0.00 C ATOM 0 H ILE A 314 29.807 1.679 -0.192 1.00 0.00 H new ATOM 0 HA ILE A 314 32.519 2.682 -0.500 1.00 0.00 H new ATOM 0 HB ILE A 314 31.494 1.198 1.924 1.00 0.00 H new ATOM 0 HG12 ILE A 314 29.704 2.735 1.498 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.651 3.340 2.843 1.00 0.00 H new ATOM 0 HG21 ILE A 314 33.004 2.769 3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 314 33.860 1.844 1.838 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.399 3.537 1.538 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.033 5.153 1.320 1.00 0.00 H new ATOM 0 HD12 ILE A 314 31.798 4.928 1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 314 30.837 4.314 -0.027 1.00 0.00 H new ATOM 53 N ARG A 315 33.828 0.469 -0.075 1.00 0.00 N ATOM 54 CA ARG A 315 34.563 -0.778 -0.229 1.00 0.00 C ATOM 55 C ARG A 315 35.595 -0.917 0.883 1.00 0.00 C ATOM 56 O ARG A 315 36.778 -0.640 0.686 1.00 0.00 O ATOM 57 CB ARG A 315 35.249 -0.828 -1.595 1.00 0.00 C ATOM 58 CG ARG A 315 34.522 -1.699 -2.608 1.00 0.00 C ATOM 59 CD ARG A 315 33.487 -0.903 -3.387 1.00 0.00 C ATOM 60 NE ARG A 315 32.344 -1.726 -3.775 1.00 0.00 N ATOM 61 CZ ARG A 315 31.379 -1.314 -4.595 1.00 0.00 C ATOM 62 NH1 ARG A 315 31.417 -0.094 -5.116 1.00 0.00 N ATOM 63 NH2 ARG A 315 30.375 -2.125 -4.896 1.00 0.00 N ATOM 0 H ARG A 315 34.403 1.265 0.202 1.00 0.00 H new ATOM 0 HA ARG A 315 33.859 -1.608 -0.164 1.00 0.00 H new ATOM 0 HB2 ARG A 315 35.329 0.185 -1.990 1.00 0.00 H new ATOM 0 HB3 ARG A 315 36.265 -1.202 -1.469 1.00 0.00 H new ATOM 0 HG2 ARG A 315 35.244 -2.134 -3.299 1.00 0.00 H new ATOM 0 HG3 ARG A 315 34.034 -2.527 -2.094 1.00 0.00 H new ATOM 0 HD2 ARG A 315 33.142 -0.066 -2.781 1.00 0.00 H new ATOM 0 HD3 ARG A 315 33.950 -0.481 -4.279 1.00 0.00 H new ATOM 0 HE ARG A 315 32.282 -2.671 -3.396 1.00 0.00 H new ATOM 0 HH11 ARG A 315 32.188 0.534 -4.889 1.00 0.00 H new ATOM 0 HH12 ARG A 315 30.675 0.216 -5.743 1.00 0.00 H new ATOM 0 HH21 ARG A 315 30.342 -3.064 -4.500 1.00 0.00 H new ATOM 0 HH22 ARG A 315 29.636 -1.810 -5.524 1.00 0.00 H new ATOM 77 N ILE A 316 35.134 -1.335 2.056 1.00 0.00 N ATOM 78 CA ILE A 316 36.010 -1.497 3.208 1.00 0.00 C ATOM 79 C ILE A 316 35.912 -2.904 3.787 1.00 0.00 C ATOM 80 O ILE A 316 34.836 -3.501 3.820 1.00 0.00 O ATOM 81 CB ILE A 316 35.672 -0.474 4.306 1.00 0.00 C ATOM 82 CG1 ILE A 316 34.161 -0.396 4.513 1.00 0.00 C ATOM 83 CG2 ILE A 316 36.230 0.893 3.944 1.00 0.00 C ATOM 84 CD1 ILE A 316 33.768 0.432 5.712 1.00 0.00 C ATOM 0 H ILE A 316 34.157 -1.568 2.234 1.00 0.00 H new ATOM 0 HA ILE A 316 37.029 -1.328 2.860 1.00 0.00 H new ATOM 0 HB ILE A 316 36.132 -0.800 5.239 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.700 0.027 3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 316 33.764 -1.404 4.630 1.00 0.00 H new ATOM 0 HG21 ILE A 316 35.983 1.607 4.730 1.00 0.00 H new ATOM 0 HG22 ILE A 316 37.313 0.828 3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.794 1.226 3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 316 32.682 0.448 5.803 1.00 0.00 H new ATOM 0 HD12 ILE A 316 34.202 -0.003 6.612 1.00 0.00 H new ATOM 0 HD13 ILE A 316 34.136 1.450 5.587 1.00 0.00 H new ATOM 96 N GLN A 317 37.046 -3.428 4.245 1.00 0.00 N ATOM 97 CA GLN A 317 37.091 -4.765 4.825 1.00 0.00 C ATOM 98 C GLN A 317 38.082 -4.821 5.984 1.00 0.00 C ATOM 99 O GLN A 317 39.100 -4.130 5.976 1.00 0.00 O ATOM 100 CB GLN A 317 37.479 -5.793 3.759 1.00 0.00 C ATOM 101 CG GLN A 317 36.457 -5.927 2.642 1.00 0.00 C ATOM 102 CD GLN A 317 36.588 -4.836 1.597 1.00 0.00 C ATOM 103 OE1 GLN A 317 35.624 -4.137 1.289 1.00 0.00 O ATOM 104 NE2 GLN A 317 37.787 -4.686 1.047 1.00 0.00 N ATOM 0 H GLN A 317 37.945 -2.946 4.225 1.00 0.00 H new ATOM 0 HA GLN A 317 36.098 -5.003 5.206 1.00 0.00 H new ATOM 0 HB2 GLN A 317 38.440 -5.513 3.329 1.00 0.00 H new ATOM 0 HB3 GLN A 317 37.614 -6.764 4.235 1.00 0.00 H new ATOM 0 HG2 GLN A 317 36.573 -6.899 2.163 1.00 0.00 H new ATOM 0 HG3 GLN A 317 35.454 -5.899 3.067 1.00 0.00 H new ATOM 0 HE21 GLN A 317 38.558 -5.289 1.333 1.00 0.00 H new ATOM 0 HE22 GLN A 317 37.937 -3.968 0.338 1.00 0.00 H new ATOM 113 N ARG A 318 37.776 -5.647 6.979 1.00 0.00 N ATOM 114 CA ARG A 318 38.639 -5.794 8.144 1.00 0.00 C ATOM 115 C ARG A 318 39.342 -7.147 8.136 1.00 0.00 C ATOM 116 O ARG A 318 38.735 -8.171 7.824 1.00 0.00 O ATOM 117 CB ARG A 318 37.826 -5.636 9.430 1.00 0.00 C ATOM 118 CG ARG A 318 37.108 -4.301 9.537 1.00 0.00 C ATOM 119 CD ARG A 318 36.059 -4.319 10.638 1.00 0.00 C ATOM 120 NE ARG A 318 34.740 -4.689 10.129 1.00 0.00 N ATOM 121 CZ ARG A 318 33.603 -4.445 10.776 1.00 0.00 C ATOM 122 NH1 ARG A 318 33.618 -3.833 11.955 1.00 0.00 N ATOM 123 NH2 ARG A 318 32.445 -4.814 10.244 1.00 0.00 N ATOM 0 H ARG A 318 36.936 -6.225 7.001 1.00 0.00 H new ATOM 0 HA ARG A 318 39.397 -5.012 8.103 1.00 0.00 H new ATOM 0 HB2 ARG A 318 37.091 -6.439 9.486 1.00 0.00 H new ATOM 0 HB3 ARG A 318 38.491 -5.751 10.286 1.00 0.00 H new ATOM 0 HG2 ARG A 318 37.833 -3.512 9.737 1.00 0.00 H new ATOM 0 HG3 ARG A 318 36.633 -4.065 8.585 1.00 0.00 H new ATOM 0 HD2 ARG A 318 36.359 -5.023 11.414 1.00 0.00 H new ATOM 0 HD3 ARG A 318 36.005 -3.335 11.104 1.00 0.00 H new ATOM 0 HE ARG A 318 34.688 -5.161 9.226 1.00 0.00 H new ATOM 0 HH11 ARG A 318 34.505 -3.547 12.370 1.00 0.00 H new ATOM 0 HH12 ARG A 318 32.743 -3.649 12.445 1.00 0.00 H new ATOM 0 HH21 ARG A 318 32.426 -5.285 9.339 1.00 0.00 H new ATOM 0 HH22 ARG A 318 31.573 -4.627 10.740 1.00 0.00 H new ATOM 137 N GLY A 319 40.626 -7.145 8.482 1.00 0.00 N ATOM 138 CA GLY A 319 41.388 -8.379 8.507 1.00 0.00 C ATOM 139 C GLY A 319 42.824 -8.186 8.054 1.00 0.00 C ATOM 140 O GLY A 319 43.200 -7.096 7.622 1.00 0.00 O ATOM 0 H GLY A 319 41.151 -6.311 8.745 1.00 0.00 H new ATOM 0 HA2 GLY A 319 41.381 -8.786 9.518 1.00 0.00 H new ATOM 0 HA3 GLY A 319 40.904 -9.114 7.864 1.00 0.00 H new ATOM 144 N PRO A 320 43.657 -9.238 8.141 1.00 0.00 N ATOM 145 CA PRO A 320 45.064 -9.168 7.731 1.00 0.00 C ATOM 146 C PRO A 320 45.217 -8.924 6.234 1.00 0.00 C ATOM 147 O PRO A 320 44.939 -9.803 5.419 1.00 0.00 O ATOM 148 CB PRO A 320 45.621 -10.544 8.108 1.00 0.00 C ATOM 149 CG PRO A 320 44.431 -11.437 8.170 1.00 0.00 C ATOM 150 CD PRO A 320 43.294 -10.575 8.641 1.00 0.00 C ATOM 0 HA PRO A 320 45.585 -8.340 8.212 1.00 0.00 H new ATOM 0 HB2 PRO A 320 46.340 -10.895 7.368 1.00 0.00 H new ATOM 0 HB3 PRO A 320 46.140 -10.511 9.066 1.00 0.00 H new ATOM 0 HG2 PRO A 320 44.215 -11.869 7.193 1.00 0.00 H new ATOM 0 HG3 PRO A 320 44.601 -12.268 8.855 1.00 0.00 H new ATOM 0 HD2 PRO A 320 42.339 -10.911 8.236 1.00 0.00 H new ATOM 0 HD3 PRO A 320 43.202 -10.588 9.727 1.00 0.00 H new ATOM 158 N GLY A 321 45.660 -7.722 5.879 1.00 0.00 N ATOM 159 CA GLY A 321 45.841 -7.382 4.480 1.00 0.00 C ATOM 160 C GLY A 321 44.600 -6.763 3.868 1.00 0.00 C ATOM 161 O GLY A 321 44.402 -6.827 2.655 1.00 0.00 O ATOM 0 H GLY A 321 45.897 -6.978 6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 321 46.675 -6.687 4.383 1.00 0.00 H new ATOM 0 HA3 GLY A 321 46.108 -8.280 3.923 1.00 0.00 H new ATOM 165 N ARG A 322 43.762 -6.165 4.709 1.00 0.00 N ATOM 166 CA ARG A 322 42.533 -5.533 4.242 1.00 0.00 C ATOM 167 C ARG A 322 42.641 -4.013 4.315 1.00 0.00 C ATOM 168 O ARG A 322 43.020 -3.456 5.347 1.00 0.00 O ATOM 169 CB ARG A 322 41.341 -6.011 5.072 1.00 0.00 C ATOM 170 CG ARG A 322 41.143 -7.518 5.041 1.00 0.00 C ATOM 171 CD ARG A 322 40.379 -7.953 3.801 1.00 0.00 C ATOM 172 NE ARG A 322 40.064 -9.380 3.827 1.00 0.00 N ATOM 173 CZ ARG A 322 39.095 -9.913 4.567 1.00 0.00 C ATOM 174 NH1 ARG A 322 38.344 -9.141 5.343 1.00 0.00 N ATOM 175 NH2 ARG A 322 38.876 -11.219 4.531 1.00 0.00 N ATOM 0 H ARG A 322 43.911 -6.105 5.716 1.00 0.00 H new ATOM 0 HA ARG A 322 42.380 -5.819 3.201 1.00 0.00 H new ATOM 0 HB2 ARG A 322 41.477 -5.692 6.105 1.00 0.00 H new ATOM 0 HB3 ARG A 322 40.436 -5.526 4.705 1.00 0.00 H new ATOM 0 HG2 ARG A 322 42.113 -8.014 5.065 1.00 0.00 H new ATOM 0 HG3 ARG A 322 40.602 -7.834 5.933 1.00 0.00 H new ATOM 0 HD2 ARG A 322 39.456 -7.379 3.724 1.00 0.00 H new ATOM 0 HD3 ARG A 322 40.970 -7.728 2.913 1.00 0.00 H new ATOM 0 HE ARG A 322 40.620 -10.005 3.243 1.00 0.00 H new ATOM 0 HH11 ARG A 322 38.509 -8.135 5.374 1.00 0.00 H new ATOM 0 HH12 ARG A 322 37.602 -9.554 5.908 1.00 0.00 H new ATOM 0 HH21 ARG A 322 39.450 -11.816 3.936 1.00 0.00 H new ATOM 0 HH22 ARG A 322 38.133 -11.627 5.098 1.00 0.00 H new ATOM 189 N ALA A 323 42.307 -3.347 3.214 1.00 0.00 N ATOM 190 CA ALA A 323 42.367 -1.892 3.155 1.00 0.00 C ATOM 191 C ALA A 323 40.968 -1.287 3.134 1.00 0.00 C ATOM 192 O ALA A 323 39.999 -1.951 2.766 1.00 0.00 O ATOM 193 CB ALA A 323 43.155 -1.448 1.931 1.00 0.00 C ATOM 0 H ALA A 323 41.992 -3.792 2.352 1.00 0.00 H new ATOM 0 HA ALA A 323 42.875 -1.535 4.051 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.193 -0.359 1.898 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.169 -1.845 1.987 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.669 -1.822 1.030 1.00 0.00 H new ATOM 199 N PHE A 324 40.871 -0.022 3.530 1.00 0.00 N ATOM 200 CA PHE A 324 39.589 0.673 3.556 1.00 0.00 C ATOM 201 C PHE A 324 39.460 1.619 2.366 1.00 0.00 C ATOM 202 O PHE A 324 40.144 2.638 2.294 1.00 0.00 O ATOM 203 CB PHE A 324 39.435 1.455 4.862 1.00 0.00 C ATOM 204 CG PHE A 324 39.016 0.604 6.027 1.00 0.00 C ATOM 205 CD1 PHE A 324 39.641 -0.607 6.278 1.00 0.00 C ATOM 206 CD2 PHE A 324 37.997 1.015 6.872 1.00 0.00 C ATOM 207 CE1 PHE A 324 39.258 -1.392 7.350 1.00 0.00 C ATOM 208 CE2 PHE A 324 37.609 0.235 7.945 1.00 0.00 C ATOM 209 CZ PHE A 324 38.242 -0.970 8.184 1.00 0.00 C ATOM 0 H PHE A 324 41.664 0.542 3.837 1.00 0.00 H new ATOM 0 HA PHE A 324 38.798 -0.074 3.492 1.00 0.00 H new ATOM 0 HB2 PHE A 324 40.382 1.940 5.099 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.699 2.246 4.717 1.00 0.00 H new ATOM 0 HD1 PHE A 324 40.437 -0.942 5.629 1.00 0.00 H new ATOM 0 HD2 PHE A 324 37.500 1.956 6.690 1.00 0.00 H new ATOM 0 HE1 PHE A 324 39.753 -2.334 7.535 1.00 0.00 H new ATOM 0 HE2 PHE A 324 36.813 0.566 8.595 1.00 0.00 H new ATOM 0 HZ PHE A 324 37.942 -1.581 9.023 1.00 0.00 H new ATOM 219 N VAL A 325 38.577 1.273 1.435 1.00 0.00 N ATOM 220 CA VAL A 325 38.359 2.091 0.247 1.00 0.00 C ATOM 221 C VAL A 325 36.903 2.536 0.146 1.00 0.00 C ATOM 222 O VAL A 325 36.016 1.930 0.748 1.00 0.00 O ATOM 223 CB VAL A 325 38.741 1.331 -1.037 1.00 0.00 C ATOM 224 CG1 VAL A 325 38.725 2.266 -2.236 1.00 0.00 C ATOM 225 CG2 VAL A 325 40.105 0.674 -0.883 1.00 0.00 C ATOM 0 H VAL A 325 38.001 0.432 1.480 1.00 0.00 H new ATOM 0 HA VAL A 325 38.999 2.968 0.345 1.00 0.00 H new ATOM 0 HB VAL A 325 38.002 0.547 -1.206 1.00 0.00 H new ATOM 0 HG11 VAL A 325 38.997 1.711 -3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 325 37.726 2.685 -2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 325 39.440 3.073 -2.077 1.00 0.00 H new ATOM 0 HG21 VAL A 325 40.358 0.142 -1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 325 40.857 1.438 -0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 325 40.078 -0.029 -0.051 1.00 0.00 H new ATOM 235 N THR A 326 36.665 3.594 -0.621 1.00 0.00 N ATOM 236 CA THR A 326 35.318 4.118 -0.803 1.00 0.00 C ATOM 237 C THR A 326 35.127 4.652 -2.218 1.00 0.00 C ATOM 238 O THR A 326 36.078 5.102 -2.857 1.00 0.00 O ATOM 239 CB THR A 326 35.030 5.223 0.216 1.00 0.00 C ATOM 240 OG1 THR A 326 33.903 5.987 -0.175 1.00 0.00 O ATOM 241 CG2 THR A 326 36.187 6.179 0.409 1.00 0.00 C ATOM 0 H THR A 326 37.388 4.105 -1.127 1.00 0.00 H new ATOM 0 HA THR A 326 34.616 3.299 -0.645 1.00 0.00 H new ATOM 0 HB THR A 326 34.848 4.704 1.157 1.00 0.00 H new ATOM 0 HG1 THR A 326 33.735 6.686 0.491 1.00 0.00 H new ATOM 0 HG21 THR A 326 35.915 6.936 1.144 1.00 0.00 H new ATOM 0 HG22 THR A 326 37.059 5.628 0.762 1.00 0.00 H new ATOM 0 HG23 THR A 326 36.422 6.662 -0.539 1.00 0.00 H new ATOM 249 N ILE A 327 33.890 4.601 -2.699 1.00 0.00 N ATOM 250 CA ILE A 327 33.569 5.080 -4.039 1.00 0.00 C ATOM 251 C ILE A 327 32.207 5.764 -4.066 1.00 0.00 C ATOM 252 O ILE A 327 31.295 5.385 -3.330 1.00 0.00 O ATOM 253 CB ILE A 327 33.573 3.931 -5.065 1.00 0.00 C ATOM 254 CG1 ILE A 327 34.850 3.099 -4.930 1.00 0.00 C ATOM 255 CG2 ILE A 327 33.439 4.480 -6.477 1.00 0.00 C ATOM 256 CD1 ILE A 327 34.715 1.933 -3.975 1.00 0.00 C ATOM 0 H ILE A 327 33.092 4.233 -2.181 1.00 0.00 H new ATOM 0 HA ILE A 327 34.341 5.800 -4.309 1.00 0.00 H new ATOM 0 HB ILE A 327 32.719 3.284 -4.865 1.00 0.00 H new ATOM 0 HG12 ILE A 327 35.134 2.722 -5.913 1.00 0.00 H new ATOM 0 HG13 ILE A 327 35.660 3.744 -4.590 1.00 0.00 H new ATOM 0 HG21 ILE A 327 33.444 3.655 -7.190 1.00 0.00 H new ATOM 0 HG22 ILE A 327 32.503 5.031 -6.566 1.00 0.00 H new ATOM 0 HG23 ILE A 327 34.274 5.147 -6.689 1.00 0.00 H new ATOM 0 HD11 ILE A 327 35.658 1.389 -3.930 1.00 0.00 H new ATOM 0 HD12 ILE A 327 34.462 2.304 -2.982 1.00 0.00 H new ATOM 0 HD13 ILE A 327 33.927 1.266 -4.325 1.00 0.00 H new ATOM 268 N GLY A 328 32.074 6.773 -4.921 1.00 0.00 N ATOM 269 CA GLY A 328 30.820 7.493 -5.029 1.00 0.00 C ATOM 270 C GLY A 328 30.450 7.803 -6.467 1.00 0.00 C ATOM 271 O GLY A 328 30.752 7.027 -7.373 1.00 0.00 O ATOM 0 H GLY A 328 32.813 7.104 -5.541 1.00 0.00 H new ATOM 0 HA2 GLY A 328 30.026 6.903 -4.572 1.00 0.00 H new ATOM 0 HA3 GLY A 328 30.890 8.424 -4.466 1.00 0.00 H new TER 275 GLY A 328