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=-0.00672 X(o=-0.0067,f=0) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.196 5.139 -4.815 1.00 0.00 N ATOM 2 CA LYS A 312 27.099 5.128 -3.670 1.00 0.00 C ATOM 3 C LYS A 312 27.367 3.702 -3.202 1.00 0.00 C ATOM 4 O LYS A 312 26.485 3.040 -2.656 1.00 0.00 O ATOM 5 CB LYS A 312 26.510 5.952 -2.523 1.00 0.00 C ATOM 6 CG LYS A 312 26.670 7.452 -2.707 1.00 0.00 C ATOM 7 CD LYS A 312 28.093 7.901 -2.415 1.00 0.00 C ATOM 8 CE LYS A 312 28.332 9.334 -2.867 1.00 0.00 C ATOM 9 NZ LYS A 312 28.540 10.252 -1.714 1.00 0.00 N ATOM 0 HA LYS A 312 28.045 5.572 -3.980 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.450 5.717 -2.425 1.00 0.00 H new ATOM 0 HB3 LYS A 312 26.990 5.656 -1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 312 26.404 7.725 -3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 312 25.979 7.976 -2.047 1.00 0.00 H new ATOM 0 HD2 LYS A 312 28.289 7.819 -1.346 1.00 0.00 H new ATOM 0 HD3 LYS A 312 28.795 7.238 -2.920 1.00 0.00 H new ATOM 0 HE2 LYS A 312 29.204 9.368 -3.520 1.00 0.00 H new ATOM 0 HE3 LYS A 312 27.480 9.676 -3.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 28.699 11.218 -2.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 27.698 10.239 -1.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 29.368 9.941 -1.167 1.00 0.00 H new ATOM 23 N SER A 313 28.593 3.233 -3.420 1.00 0.00 N ATOM 24 CA SER A 313 28.977 1.885 -3.020 1.00 0.00 C ATOM 25 C SER A 313 30.431 1.849 -2.558 1.00 0.00 C ATOM 26 O SER A 313 31.352 1.903 -3.372 1.00 0.00 O ATOM 27 CB SER A 313 28.774 0.908 -4.180 1.00 0.00 C ATOM 28 OG SER A 313 29.049 1.529 -5.424 1.00 0.00 O ATOM 0 H SER A 313 29.336 3.767 -3.871 1.00 0.00 H new ATOM 0 HA SER A 313 28.341 1.585 -2.187 1.00 0.00 H new ATOM 0 HB2 SER A 313 29.425 0.044 -4.050 1.00 0.00 H new ATOM 0 HB3 SER A 313 27.749 0.539 -4.173 1.00 0.00 H new ATOM 0 HG SER A 313 28.914 0.884 -6.149 1.00 0.00 H new ATOM 34 N ILE A 314 30.628 1.760 -1.247 1.00 0.00 N ATOM 35 CA ILE A 314 31.970 1.719 -0.679 1.00 0.00 C ATOM 36 C ILE A 314 32.403 0.288 -0.391 1.00 0.00 C ATOM 37 O ILE A 314 31.571 -0.610 -0.253 1.00 0.00 O ATOM 38 CB ILE A 314 32.069 2.528 0.632 1.00 0.00 C ATOM 39 CG1 ILE A 314 31.057 3.676 0.647 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.480 3.064 0.819 1.00 0.00 C ATOM 41 CD1 ILE A 314 31.160 4.590 -0.555 1.00 0.00 C ATOM 0 H ILE A 314 29.876 1.715 -0.559 1.00 0.00 H new ATOM 0 HA ILE A 314 32.628 2.165 -1.425 1.00 0.00 H new ATOM 0 HB ILE A 314 31.835 1.859 1.460 1.00 0.00 H new ATOM 0 HG12 ILE A 314 30.050 3.261 0.692 1.00 0.00 H new ATOM 0 HG13 ILE A 314 31.201 4.264 1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 314 33.533 3.632 1.748 1.00 0.00 H new ATOM 0 HG22 ILE A 314 34.183 2.232 0.862 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.737 3.713 -0.018 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.413 5.380 -0.477 1.00 0.00 H new ATOM 0 HD12 ILE A 314 32.155 5.034 -0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 314 30.987 4.015 -1.465 1.00 0.00 H new ATOM 53 N ARG A 315 33.709 0.086 -0.289 1.00 0.00 N ATOM 54 CA ARG A 315 34.261 -1.231 -0.003 1.00 0.00 C ATOM 55 C ARG A 315 35.362 -1.123 1.044 1.00 0.00 C ATOM 56 O ARG A 315 36.549 -1.123 0.717 1.00 0.00 O ATOM 57 CB ARG A 315 34.809 -1.872 -1.278 1.00 0.00 C ATOM 58 CG ARG A 315 33.729 -2.290 -2.262 1.00 0.00 C ATOM 59 CD ARG A 315 32.760 -3.281 -1.637 1.00 0.00 C ATOM 60 NE ARG A 315 33.446 -4.448 -1.087 1.00 0.00 N ATOM 61 CZ ARG A 315 33.874 -5.471 -1.824 1.00 0.00 C ATOM 62 NH1 ARG A 315 33.691 -5.474 -3.138 1.00 0.00 N ATOM 63 NH2 ARG A 315 34.487 -6.493 -1.244 1.00 0.00 N ATOM 0 H ARG A 315 34.408 0.820 -0.400 1.00 0.00 H new ATOM 0 HA ARG A 315 33.463 -1.863 0.387 1.00 0.00 H new ATOM 0 HB2 ARG A 315 35.482 -1.169 -1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 315 35.402 -2.746 -1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 315 33.183 -1.409 -2.600 1.00 0.00 H new ATOM 0 HG3 ARG A 315 34.191 -2.737 -3.143 1.00 0.00 H new ATOM 0 HD2 ARG A 315 32.196 -2.786 -0.846 1.00 0.00 H new ATOM 0 HD3 ARG A 315 32.039 -3.605 -2.388 1.00 0.00 H new ATOM 0 HE ARG A 315 33.606 -4.481 -0.080 1.00 0.00 H new ATOM 0 HH11 ARG A 315 33.220 -4.690 -3.589 1.00 0.00 H new ATOM 0 HH12 ARG A 315 34.021 -6.261 -3.697 1.00 0.00 H new ATOM 0 HH21 ARG A 315 34.630 -6.495 -0.234 1.00 0.00 H new ATOM 0 HH22 ARG A 315 34.815 -7.277 -1.808 1.00 0.00 H new ATOM 77 N ILE A 316 34.958 -1.022 2.304 1.00 0.00 N ATOM 78 CA ILE A 316 35.905 -0.900 3.403 1.00 0.00 C ATOM 79 C ILE A 316 35.683 -1.986 4.451 1.00 0.00 C ATOM 80 O ILE A 316 34.613 -2.072 5.053 1.00 0.00 O ATOM 81 CB ILE A 316 35.798 0.478 4.078 1.00 0.00 C ATOM 82 CG1 ILE A 316 34.333 0.847 4.303 1.00 0.00 C ATOM 83 CG2 ILE A 316 36.491 1.539 3.230 1.00 0.00 C ATOM 84 CD1 ILE A 316 34.157 2.148 5.046 1.00 0.00 C ATOM 0 H ILE A 316 33.979 -1.022 2.590 1.00 0.00 H new ATOM 0 HA ILE A 316 36.901 -1.015 2.976 1.00 0.00 H new ATOM 0 HB ILE A 316 36.295 0.431 5.047 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.830 0.916 3.339 1.00 0.00 H new ATOM 0 HG13 ILE A 316 33.845 0.048 4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 316 36.407 2.509 3.720 1.00 0.00 H new ATOM 0 HG22 ILE A 316 37.544 1.281 3.114 1.00 0.00 H new ATOM 0 HG23 ILE A 316 36.018 1.586 2.249 1.00 0.00 H new ATOM 0 HD11 ILE A 316 33.094 2.353 5.174 1.00 0.00 H new ATOM 0 HD12 ILE A 316 34.633 2.076 6.024 1.00 0.00 H new ATOM 0 HD13 ILE A 316 34.617 2.957 4.478 1.00 0.00 H new ATOM 96 N GLN A 317 36.702 -2.813 4.662 1.00 0.00 N ATOM 97 CA GLN A 317 36.620 -3.895 5.638 1.00 0.00 C ATOM 98 C GLN A 317 37.691 -3.738 6.714 1.00 0.00 C ATOM 99 O GLN A 317 38.759 -3.180 6.463 1.00 0.00 O ATOM 100 CB GLN A 317 36.774 -5.249 4.943 1.00 0.00 C ATOM 101 CG GLN A 317 37.999 -5.336 4.047 1.00 0.00 C ATOM 102 CD GLN A 317 37.644 -5.376 2.573 1.00 0.00 C ATOM 103 OE1 GLN A 317 37.250 -6.416 2.046 1.00 0.00 O ATOM 104 NE2 GLN A 317 37.781 -4.240 1.901 1.00 0.00 N ATOM 0 H GLN A 317 37.594 -2.755 4.171 1.00 0.00 H new ATOM 0 HA GLN A 317 35.641 -3.848 6.115 1.00 0.00 H new ATOM 0 HB2 GLN A 317 36.831 -6.032 5.699 1.00 0.00 H new ATOM 0 HB3 GLN A 317 35.883 -5.446 4.347 1.00 0.00 H new ATOM 0 HG2 GLN A 317 38.645 -4.479 4.238 1.00 0.00 H new ATOM 0 HG3 GLN A 317 38.569 -6.229 4.304 1.00 0.00 H new ATOM 0 HE21 GLN A 317 38.111 -3.401 2.379 1.00 0.00 H new ATOM 0 HE22 GLN A 317 37.556 -4.205 0.907 1.00 0.00 H new ATOM 113 N ARG A 318 37.397 -4.233 7.911 1.00 0.00 N ATOM 114 CA ARG A 318 38.335 -4.148 9.025 1.00 0.00 C ATOM 115 C ARG A 318 39.219 -5.389 9.089 1.00 0.00 C ATOM 116 O ARG A 318 38.965 -6.380 8.404 1.00 0.00 O ATOM 117 CB ARG A 318 37.580 -3.977 10.344 1.00 0.00 C ATOM 118 CG ARG A 318 36.555 -2.856 10.318 1.00 0.00 C ATOM 119 CD ARG A 318 35.151 -3.388 10.074 1.00 0.00 C ATOM 120 NE ARG A 318 34.729 -3.201 8.688 1.00 0.00 N ATOM 121 CZ ARG A 318 33.521 -3.524 8.231 1.00 0.00 C ATOM 122 NH1 ARG A 318 32.616 -4.053 9.045 1.00 0.00 N ATOM 123 NH2 ARG A 318 33.218 -3.321 6.956 1.00 0.00 N ATOM 0 H ARG A 318 36.517 -4.697 8.135 1.00 0.00 H new ATOM 0 HA ARG A 318 38.972 -3.278 8.864 1.00 0.00 H new ATOM 0 HB2 ARG A 318 37.077 -4.912 10.589 1.00 0.00 H new ATOM 0 HB3 ARG A 318 38.298 -3.783 11.141 1.00 0.00 H new ATOM 0 HG2 ARG A 318 36.581 -2.316 11.265 1.00 0.00 H new ATOM 0 HG3 ARG A 318 36.815 -2.142 9.537 1.00 0.00 H new ATOM 0 HD2 ARG A 318 35.116 -4.448 10.324 1.00 0.00 H new ATOM 0 HD3 ARG A 318 34.451 -2.881 10.738 1.00 0.00 H new ATOM 0 HE ARG A 318 35.399 -2.799 8.032 1.00 0.00 H new ATOM 0 HH11 ARG A 318 32.844 -4.214 10.026 1.00 0.00 H new ATOM 0 HH12 ARG A 318 31.692 -4.299 8.690 1.00 0.00 H new ATOM 0 HH21 ARG A 318 33.911 -2.917 6.325 1.00 0.00 H new ATOM 0 HH22 ARG A 318 32.292 -3.569 6.606 1.00 0.00 H new ATOM 137 N GLY A 319 40.257 -5.327 9.917 1.00 0.00 N ATOM 138 CA GLY A 319 41.162 -6.452 10.056 1.00 0.00 C ATOM 139 C GLY A 319 42.619 -6.026 10.083 1.00 0.00 C ATOM 140 O GLY A 319 42.962 -4.950 9.592 1.00 0.00 O ATOM 0 H GLY A 319 40.487 -4.518 10.494 1.00 0.00 H new ATOM 0 HA2 GLY A 319 40.927 -6.992 10.974 1.00 0.00 H new ATOM 0 HA3 GLY A 319 41.005 -7.145 9.230 1.00 0.00 H new ATOM 144 N PRO A 320 43.508 -6.856 10.656 1.00 0.00 N ATOM 145 CA PRO A 320 44.939 -6.546 10.738 1.00 0.00 C ATOM 146 C PRO A 320 45.602 -6.514 9.365 1.00 0.00 C ATOM 147 O PRO A 320 45.960 -7.556 8.813 1.00 0.00 O ATOM 148 CB PRO A 320 45.509 -7.690 11.582 1.00 0.00 C ATOM 149 CG PRO A 320 44.537 -8.807 11.418 1.00 0.00 C ATOM 150 CD PRO A 320 43.189 -8.160 11.265 1.00 0.00 C ATOM 0 HA PRO A 320 45.117 -5.559 11.165 1.00 0.00 H new ATOM 0 HB2 PRO A 320 46.503 -7.977 11.239 1.00 0.00 H new ATOM 0 HB3 PRO A 320 45.605 -7.400 12.628 1.00 0.00 H new ATOM 0 HG2 PRO A 320 44.781 -9.412 10.545 1.00 0.00 H new ATOM 0 HG3 PRO A 320 44.556 -9.471 12.282 1.00 0.00 H new ATOM 0 HD2 PRO A 320 42.529 -8.750 10.630 1.00 0.00 H new ATOM 0 HD3 PRO A 320 42.687 -8.044 12.225 1.00 0.00 H new ATOM 158 N GLY A 321 45.761 -5.314 8.819 1.00 0.00 N ATOM 159 CA GLY A 321 46.379 -5.169 7.514 1.00 0.00 C ATOM 160 C GLY A 321 45.359 -5.033 6.401 1.00 0.00 C ATOM 161 O GLY A 321 45.632 -5.387 5.253 1.00 0.00 O ATOM 0 H GLY A 321 45.473 -4.439 9.257 1.00 0.00 H new ATOM 0 HA2 GLY A 321 47.027 -4.293 7.518 1.00 0.00 H new ATOM 0 HA3 GLY A 321 47.013 -6.034 7.318 1.00 0.00 H new ATOM 165 N ARG A 322 44.181 -4.518 6.739 1.00 0.00 N ATOM 166 CA ARG A 322 43.117 -4.337 5.759 1.00 0.00 C ATOM 167 C ARG A 322 43.193 -2.953 5.123 1.00 0.00 C ATOM 168 O ARG A 322 43.727 -2.014 5.716 1.00 0.00 O ATOM 169 CB ARG A 322 41.750 -4.537 6.418 1.00 0.00 C ATOM 170 CG ARG A 322 40.798 -5.391 5.598 1.00 0.00 C ATOM 171 CD ARG A 322 40.895 -6.861 5.979 1.00 0.00 C ATOM 172 NE ARG A 322 41.577 -7.648 4.956 1.00 0.00 N ATOM 173 CZ ARG A 322 41.586 -8.979 4.927 1.00 0.00 C ATOM 174 NH1 ARG A 322 40.950 -9.674 5.862 1.00 0.00 N ATOM 175 NH2 ARG A 322 42.231 -9.617 3.960 1.00 0.00 N ATOM 0 H ARG A 322 43.940 -4.219 7.684 1.00 0.00 H new ATOM 0 HA ARG A 322 43.247 -5.083 4.975 1.00 0.00 H new ATOM 0 HB2 ARG A 322 41.891 -5.001 7.394 1.00 0.00 H new ATOM 0 HB3 ARG A 322 41.293 -3.562 6.591 1.00 0.00 H new ATOM 0 HG2 ARG A 322 39.776 -5.043 5.747 1.00 0.00 H new ATOM 0 HG3 ARG A 322 41.024 -5.274 4.538 1.00 0.00 H new ATOM 0 HD2 ARG A 322 41.429 -6.956 6.925 1.00 0.00 H new ATOM 0 HD3 ARG A 322 39.894 -7.261 6.137 1.00 0.00 H new ATOM 0 HE ARG A 322 42.076 -7.149 4.220 1.00 0.00 H new ATOM 0 HH11 ARG A 322 40.451 -9.188 6.608 1.00 0.00 H new ATOM 0 HH12 ARG A 322 40.960 -10.694 5.835 1.00 0.00 H new ATOM 0 HH21 ARG A 322 42.720 -9.088 3.238 1.00 0.00 H new ATOM 0 HH22 ARG A 322 42.238 -10.637 3.938 1.00 0.00 H new ATOM 189 N ALA A 323 42.657 -2.832 3.913 1.00 0.00 N ATOM 190 CA ALA A 323 42.665 -1.563 3.196 1.00 0.00 C ATOM 191 C ALA A 323 41.254 -0.997 3.064 1.00 0.00 C ATOM 192 O ALA A 323 40.272 -1.740 3.091 1.00 0.00 O ATOM 193 CB ALA A 323 43.296 -1.736 1.822 1.00 0.00 C ATOM 0 H ALA A 323 42.211 -3.598 3.408 1.00 0.00 H new ATOM 0 HA ALA A 323 43.261 -0.854 3.771 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.295 -0.780 1.298 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.322 -2.087 1.934 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.724 -2.465 1.248 1.00 0.00 H new ATOM 199 N PHE A 324 41.161 0.321 2.924 1.00 0.00 N ATOM 200 CA PHE A 324 39.870 0.986 2.788 1.00 0.00 C ATOM 201 C PHE A 324 39.620 1.395 1.340 1.00 0.00 C ATOM 202 O PHE A 324 40.270 2.302 0.820 1.00 0.00 O ATOM 203 CB PHE A 324 39.808 2.216 3.695 1.00 0.00 C ATOM 204 CG PHE A 324 39.520 1.891 5.133 1.00 0.00 C ATOM 205 CD1 PHE A 324 40.204 0.873 5.779 1.00 0.00 C ATOM 206 CD2 PHE A 324 38.564 2.604 5.839 1.00 0.00 C ATOM 207 CE1 PHE A 324 39.940 0.573 7.102 1.00 0.00 C ATOM 208 CE2 PHE A 324 38.296 2.308 7.162 1.00 0.00 C ATOM 209 CZ PHE A 324 38.985 1.291 7.795 1.00 0.00 C ATOM 0 H PHE A 324 41.964 0.950 2.902 1.00 0.00 H new ATOM 0 HA PHE A 324 39.093 0.283 3.088 1.00 0.00 H new ATOM 0 HB2 PHE A 324 40.757 2.749 3.635 1.00 0.00 H new ATOM 0 HB3 PHE A 324 39.038 2.892 3.323 1.00 0.00 H new ATOM 0 HD1 PHE A 324 40.952 0.308 5.242 1.00 0.00 H new ATOM 0 HD2 PHE A 324 38.022 3.400 5.350 1.00 0.00 H new ATOM 0 HE1 PHE A 324 40.480 -0.222 7.594 1.00 0.00 H new ATOM 0 HE2 PHE A 324 37.548 2.871 7.701 1.00 0.00 H new ATOM 0 HZ PHE A 324 38.777 1.058 8.829 1.00 0.00 H new ATOM 219 N VAL A 325 38.674 0.720 0.695 1.00 0.00 N ATOM 220 CA VAL A 325 38.338 1.013 -0.693 1.00 0.00 C ATOM 221 C VAL A 325 36.976 1.692 -0.794 1.00 0.00 C ATOM 222 O VAL A 325 36.074 1.416 -0.003 1.00 0.00 O ATOM 223 CB VAL A 325 38.327 -0.265 -1.554 1.00 0.00 C ATOM 224 CG1 VAL A 325 38.286 0.086 -3.033 1.00 0.00 C ATOM 225 CG2 VAL A 325 39.535 -1.134 -1.240 1.00 0.00 C ATOM 0 H VAL A 325 38.127 -0.033 1.111 1.00 0.00 H new ATOM 0 HA VAL A 325 39.108 1.686 -1.069 1.00 0.00 H new ATOM 0 HB VAL A 325 37.428 -0.832 -1.313 1.00 0.00 H new ATOM 0 HG11 VAL A 325 38.279 -0.830 -3.624 1.00 0.00 H new ATOM 0 HG12 VAL A 325 37.385 0.662 -3.245 1.00 0.00 H new ATOM 0 HG13 VAL A 325 39.164 0.678 -3.291 1.00 0.00 H new ATOM 0 HG21 VAL A 325 39.508 -2.031 -1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 325 40.448 -0.577 -1.448 1.00 0.00 H new ATOM 0 HG23 VAL A 325 39.515 -1.418 -0.188 1.00 0.00 H new ATOM 235 N THR A 326 36.833 2.581 -1.773 1.00 0.00 N ATOM 236 CA THR A 326 35.583 3.296 -1.978 1.00 0.00 C ATOM 237 C THR A 326 35.273 3.439 -3.463 1.00 0.00 C ATOM 238 O THR A 326 36.162 3.709 -4.270 1.00 0.00 O ATOM 239 CB THR A 326 35.647 4.677 -1.323 1.00 0.00 C ATOM 240 OG1 THR A 326 36.458 5.556 -2.083 1.00 0.00 O ATOM 241 CG2 THR A 326 36.198 4.648 0.086 1.00 0.00 C ATOM 0 H THR A 326 37.570 2.822 -2.436 1.00 0.00 H new ATOM 0 HA THR A 326 34.784 2.718 -1.514 1.00 0.00 H new ATOM 0 HB THR A 326 34.615 5.025 -1.285 1.00 0.00 H new ATOM 0 HG1 THR A 326 36.485 6.434 -1.649 1.00 0.00 H new ATOM 0 HG21 THR A 326 36.216 5.660 0.491 1.00 0.00 H new ATOM 0 HG22 THR A 326 35.565 4.018 0.711 1.00 0.00 H new ATOM 0 HG23 THR A 326 37.211 4.245 0.072 1.00 0.00 H new ATOM 249 N ILE A 327 34.005 3.255 -3.817 1.00 0.00 N ATOM 250 CA ILE A 327 33.576 3.363 -5.207 1.00 0.00 C ATOM 251 C ILE A 327 32.266 4.136 -5.319 1.00 0.00 C ATOM 252 O ILE A 327 31.471 4.169 -4.380 1.00 0.00 O ATOM 253 CB ILE A 327 33.398 1.975 -5.849 1.00 0.00 C ATOM 254 CG1 ILE A 327 34.622 1.099 -5.573 1.00 0.00 C ATOM 255 CG2 ILE A 327 33.161 2.109 -7.345 1.00 0.00 C ATOM 256 CD1 ILE A 327 34.411 -0.360 -5.912 1.00 0.00 C ATOM 0 H ILE A 327 33.257 3.031 -3.161 1.00 0.00 H new ATOM 0 HA ILE A 327 34.359 3.903 -5.739 1.00 0.00 H new ATOM 0 HB ILE A 327 32.525 1.496 -5.405 1.00 0.00 H new ATOM 0 HG12 ILE A 327 35.467 1.478 -6.148 1.00 0.00 H new ATOM 0 HG13 ILE A 327 34.889 1.184 -4.520 1.00 0.00 H new ATOM 0 HG21 ILE A 327 33.037 1.119 -7.784 1.00 0.00 H new ATOM 0 HG22 ILE A 327 32.261 2.698 -7.519 1.00 0.00 H new ATOM 0 HG23 ILE A 327 34.015 2.606 -7.806 1.00 0.00 H new ATOM 0 HD11 ILE A 327 35.320 -0.920 -5.691 1.00 0.00 H new ATOM 0 HD12 ILE A 327 33.587 -0.756 -5.318 1.00 0.00 H new ATOM 0 HD13 ILE A 327 34.174 -0.457 -6.972 1.00 0.00 H new ATOM 268 N GLY A 328 32.049 4.756 -6.474 1.00 0.00 N ATOM 269 CA GLY A 328 30.834 5.521 -6.687 1.00 0.00 C ATOM 270 C GLY A 328 30.996 6.582 -7.756 1.00 0.00 C ATOM 271 O GLY A 328 32.078 6.742 -8.324 1.00 0.00 O ATOM 0 H GLY A 328 32.692 4.743 -7.266 1.00 0.00 H new ATOM 0 HA2 GLY A 328 30.028 4.845 -6.970 1.00 0.00 H new ATOM 0 HA3 GLY A 328 30.538 5.995 -5.751 1.00 0.00 H new TER 275 GLY A 328