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 X(o=0,f=0) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.329 5.815 -4.440 1.00 0.00 N ATOM 2 CA LYS A 312 27.282 5.757 -3.337 1.00 0.00 C ATOM 3 C LYS A 312 27.495 4.319 -2.875 1.00 0.00 C ATOM 4 O LYS A 312 26.605 3.708 -2.283 1.00 0.00 O ATOM 5 CB LYS A 312 26.794 6.615 -2.168 1.00 0.00 C ATOM 6 CG LYS A 312 27.022 8.104 -2.369 1.00 0.00 C ATOM 7 CD LYS A 312 28.344 8.552 -1.768 1.00 0.00 C ATOM 8 CE LYS A 312 29.430 8.661 -2.827 1.00 0.00 C ATOM 9 NZ LYS A 312 29.614 10.062 -3.292 1.00 0.00 N ATOM 0 HA LYS A 312 28.235 6.149 -3.693 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.729 6.436 -2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 312 27.303 6.298 -1.258 1.00 0.00 H new ATOM 0 HG2 LYS A 312 27.009 8.334 -3.434 1.00 0.00 H new ATOM 0 HG3 LYS A 312 26.205 8.663 -1.912 1.00 0.00 H new ATOM 0 HD2 LYS A 312 28.214 9.517 -1.279 1.00 0.00 H new ATOM 0 HD3 LYS A 312 28.654 7.844 -0.999 1.00 0.00 H new ATOM 0 HE2 LYS A 312 30.370 8.287 -2.422 1.00 0.00 H new ATOM 0 HE3 LYS A 312 29.174 8.028 -3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 30.363 10.093 -4.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 28.724 10.412 -3.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 29.884 10.662 -2.487 1.00 0.00 H new ATOM 23 N SER A 313 28.682 3.788 -3.147 1.00 0.00 N ATOM 24 CA SER A 313 29.017 2.423 -2.758 1.00 0.00 C ATOM 25 C SER A 313 30.439 2.350 -2.213 1.00 0.00 C ATOM 26 O SER A 313 31.404 2.610 -2.933 1.00 0.00 O ATOM 27 CB SER A 313 28.865 1.478 -3.952 1.00 0.00 C ATOM 28 OG SER A 313 27.827 1.906 -4.815 1.00 0.00 O ATOM 0 H SER A 313 29.429 4.282 -3.636 1.00 0.00 H new ATOM 0 HA SER A 313 28.328 2.114 -1.971 1.00 0.00 H new ATOM 0 HB2 SER A 313 29.804 1.431 -4.504 1.00 0.00 H new ATOM 0 HB3 SER A 313 28.653 0.470 -3.596 1.00 0.00 H new ATOM 0 HG SER A 313 27.752 1.286 -5.570 1.00 0.00 H new ATOM 34 N ILE A 314 30.564 2.000 -0.938 1.00 0.00 N ATOM 35 CA ILE A 314 31.871 1.898 -0.300 1.00 0.00 C ATOM 36 C ILE A 314 32.312 0.448 -0.169 1.00 0.00 C ATOM 37 O ILE A 314 31.493 -0.471 -0.208 1.00 0.00 O ATOM 38 CB ILE A 314 31.881 2.528 1.108 1.00 0.00 C ATOM 39 CG1 ILE A 314 30.942 3.732 1.178 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.295 2.934 1.493 1.00 0.00 C ATOM 41 CD1 ILE A 314 31.343 4.866 0.259 1.00 0.00 C ATOM 0 H ILE A 314 29.777 1.782 -0.326 1.00 0.00 H new ATOM 0 HA ILE A 314 32.560 2.443 -0.945 1.00 0.00 H new ATOM 0 HB ILE A 314 31.524 1.781 1.817 1.00 0.00 H new ATOM 0 HG12 ILE A 314 29.932 3.410 0.925 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.912 4.100 2.204 1.00 0.00 H new ATOM 0 HG21 ILE A 314 33.288 3.377 2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 314 33.939 2.055 1.492 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.673 3.662 0.775 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.632 5.686 0.361 1.00 0.00 H new ATOM 0 HD12 ILE A 314 32.341 5.215 0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 314 31.345 4.515 -0.773 1.00 0.00 H new ATOM 53 N ARG A 315 33.613 0.255 0.007 1.00 0.00 N ATOM 54 CA ARG A 315 34.174 -1.076 0.169 1.00 0.00 C ATOM 55 C ARG A 315 35.252 -1.058 1.245 1.00 0.00 C ATOM 56 O ARG A 315 36.445 -1.009 0.947 1.00 0.00 O ATOM 57 CB ARG A 315 34.755 -1.579 -1.154 1.00 0.00 C ATOM 58 CG ARG A 315 33.703 -1.840 -2.220 1.00 0.00 C ATOM 59 CD ARG A 315 33.262 -3.295 -2.224 1.00 0.00 C ATOM 60 NE ARG A 315 31.827 -3.432 -2.467 1.00 0.00 N ATOM 61 CZ ARG A 315 31.245 -3.168 -3.634 1.00 0.00 C ATOM 62 NH1 ARG A 315 31.969 -2.750 -4.665 1.00 0.00 N ATOM 63 NH2 ARG A 315 29.935 -3.321 -3.771 1.00 0.00 N ATOM 0 H ARG A 315 34.300 1.008 0.041 1.00 0.00 H new ATOM 0 HA ARG A 315 33.378 -1.755 0.475 1.00 0.00 H new ATOM 0 HB2 ARG A 315 35.468 -0.845 -1.531 1.00 0.00 H new ATOM 0 HB3 ARG A 315 35.311 -2.499 -0.971 1.00 0.00 H new ATOM 0 HG2 ARG A 315 32.840 -1.198 -2.046 1.00 0.00 H new ATOM 0 HG3 ARG A 315 34.103 -1.577 -3.199 1.00 0.00 H new ATOM 0 HD2 ARG A 315 33.813 -3.839 -2.991 1.00 0.00 H new ATOM 0 HD3 ARG A 315 33.513 -3.752 -1.267 1.00 0.00 H new ATOM 0 HE ARG A 315 31.238 -3.748 -1.697 1.00 0.00 H new ATOM 0 HH11 ARG A 315 32.977 -2.630 -4.565 1.00 0.00 H new ATOM 0 HH12 ARG A 315 31.517 -2.549 -5.557 1.00 0.00 H new ATOM 0 HH21 ARG A 315 29.374 -3.641 -2.982 1.00 0.00 H new ATOM 0 HH22 ARG A 315 29.489 -3.119 -4.666 1.00 0.00 H new ATOM 77 N ILE A 316 34.817 -1.083 2.499 1.00 0.00 N ATOM 78 CA ILE A 316 35.737 -1.055 3.630 1.00 0.00 C ATOM 79 C ILE A 316 35.712 -2.369 4.402 1.00 0.00 C ATOM 80 O ILE A 316 34.654 -2.840 4.816 1.00 0.00 O ATOM 81 CB ILE A 316 35.411 0.102 4.595 1.00 0.00 C ATOM 82 CG1 ILE A 316 33.901 0.324 4.685 1.00 0.00 C ATOM 83 CG2 ILE A 316 36.108 1.377 4.145 1.00 0.00 C ATOM 84 CD1 ILE A 316 33.514 1.352 5.721 1.00 0.00 C ATOM 0 H ILE A 316 33.831 -1.123 2.759 1.00 0.00 H new ATOM 0 HA ILE A 316 36.734 -0.903 3.216 1.00 0.00 H new ATOM 0 HB ILE A 316 35.776 -0.165 5.587 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.528 0.640 3.711 1.00 0.00 H new ATOM 0 HG13 ILE A 316 33.414 -0.622 4.921 1.00 0.00 H new ATOM 0 HG21 ILE A 316 35.869 2.186 4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 316 37.186 1.217 4.133 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.769 1.643 3.144 1.00 0.00 H new ATOM 0 HD11 ILE A 316 32.430 1.464 5.736 1.00 0.00 H new ATOM 0 HD12 ILE A 316 33.859 1.027 6.703 1.00 0.00 H new ATOM 0 HD13 ILE A 316 33.974 2.309 5.474 1.00 0.00 H new ATOM 96 N GLN A 317 36.891 -2.954 4.592 1.00 0.00 N ATOM 97 CA GLN A 317 37.014 -4.214 5.316 1.00 0.00 C ATOM 98 C GLN A 317 38.226 -4.185 6.241 1.00 0.00 C ATOM 99 O GLN A 317 39.342 -3.896 5.808 1.00 0.00 O ATOM 100 CB GLN A 317 37.133 -5.382 4.336 1.00 0.00 C ATOM 101 CG GLN A 317 38.254 -5.212 3.321 1.00 0.00 C ATOM 102 CD GLN A 317 37.737 -5.008 1.910 1.00 0.00 C ATOM 103 OE1 GLN A 317 37.388 -5.966 1.221 1.00 0.00 O ATOM 104 NE2 GLN A 317 37.685 -3.755 1.474 1.00 0.00 N ATOM 0 H GLN A 317 37.775 -2.575 4.254 1.00 0.00 H new ATOM 0 HA GLN A 317 36.117 -4.350 5.920 1.00 0.00 H new ATOM 0 HB2 GLN A 317 37.299 -6.301 4.898 1.00 0.00 H new ATOM 0 HB3 GLN A 317 36.188 -5.498 3.805 1.00 0.00 H new ATOM 0 HG2 GLN A 317 38.870 -4.359 3.605 1.00 0.00 H new ATOM 0 HG3 GLN A 317 38.897 -6.092 3.345 1.00 0.00 H new ATOM 0 HE21 GLN A 317 37.985 -2.991 2.080 1.00 0.00 H new ATOM 0 HE22 GLN A 317 37.345 -3.556 0.533 1.00 0.00 H new ATOM 113 N ARG A 318 38.002 -4.485 7.516 1.00 0.00 N ATOM 114 CA ARG A 318 39.079 -4.488 8.499 1.00 0.00 C ATOM 115 C ARG A 318 39.527 -5.913 8.814 1.00 0.00 C ATOM 116 O ARG A 318 38.702 -6.807 9.001 1.00 0.00 O ATOM 117 CB ARG A 318 38.635 -3.783 9.783 1.00 0.00 C ATOM 118 CG ARG A 318 37.229 -4.151 10.229 1.00 0.00 C ATOM 119 CD ARG A 318 36.872 -3.494 11.554 1.00 0.00 C ATOM 120 NE ARG A 318 36.740 -4.471 12.632 1.00 0.00 N ATOM 121 CZ ARG A 318 36.751 -4.154 13.925 1.00 0.00 C ATOM 122 NH1 ARG A 318 36.891 -2.890 14.305 1.00 0.00 N ATOM 123 NH2 ARG A 318 36.623 -5.104 14.842 1.00 0.00 N ATOM 0 H ARG A 318 37.086 -4.729 7.892 1.00 0.00 H new ATOM 0 HA ARG A 318 39.924 -3.947 8.073 1.00 0.00 H new ATOM 0 HB2 ARG A 318 39.335 -4.027 10.582 1.00 0.00 H new ATOM 0 HB3 ARG A 318 38.688 -2.705 9.632 1.00 0.00 H new ATOM 0 HG2 ARG A 318 36.513 -3.845 9.466 1.00 0.00 H new ATOM 0 HG3 ARG A 318 37.149 -5.234 10.326 1.00 0.00 H new ATOM 0 HD2 ARG A 318 37.640 -2.766 11.816 1.00 0.00 H new ATOM 0 HD3 ARG A 318 35.937 -2.945 11.446 1.00 0.00 H new ATOM 0 HE ARG A 318 36.633 -5.453 12.379 1.00 0.00 H new ATOM 0 HH11 ARG A 318 36.991 -2.155 13.605 1.00 0.00 H new ATOM 0 HH12 ARG A 318 36.899 -2.654 15.297 1.00 0.00 H new ATOM 0 HH21 ARG A 318 36.516 -6.077 14.556 1.00 0.00 H new ATOM 0 HH22 ARG A 318 36.631 -4.861 15.833 1.00 0.00 H new ATOM 137 N GLY A 319 40.840 -6.113 8.872 1.00 0.00 N ATOM 138 CA GLY A 319 41.377 -7.430 9.164 1.00 0.00 C ATOM 139 C GLY A 319 42.868 -7.518 8.895 1.00 0.00 C ATOM 140 O GLY A 319 43.494 -6.525 8.524 1.00 0.00 O ATOM 0 H GLY A 319 41.541 -5.388 8.722 1.00 0.00 H new ATOM 0 HA2 GLY A 319 41.184 -7.675 10.208 1.00 0.00 H new ATOM 0 HA3 GLY A 319 40.857 -8.174 8.560 1.00 0.00 H new ATOM 144 N PRO A 320 43.472 -8.707 9.073 1.00 0.00 N ATOM 145 CA PRO A 320 44.907 -8.907 8.841 1.00 0.00 C ATOM 146 C PRO A 320 45.277 -8.780 7.368 1.00 0.00 C ATOM 147 O PRO A 320 45.209 -9.752 6.614 1.00 0.00 O ATOM 148 CB PRO A 320 45.156 -10.334 9.333 1.00 0.00 C ATOM 149 CG PRO A 320 43.831 -11.008 9.235 1.00 0.00 C ATOM 150 CD PRO A 320 42.805 -9.946 9.512 1.00 0.00 C ATOM 0 HA PRO A 320 45.509 -8.157 9.353 1.00 0.00 H new ATOM 0 HB2 PRO A 320 45.903 -10.839 8.720 1.00 0.00 H new ATOM 0 HB3 PRO A 320 45.528 -10.340 10.358 1.00 0.00 H new ATOM 0 HG2 PRO A 320 43.686 -11.442 8.246 1.00 0.00 H new ATOM 0 HG3 PRO A 320 43.753 -11.823 9.955 1.00 0.00 H new ATOM 0 HD2 PRO A 320 41.883 -10.124 8.959 1.00 0.00 H new ATOM 0 HD3 PRO A 320 42.541 -9.908 10.569 1.00 0.00 H new ATOM 158 N GLY A 321 45.669 -7.576 6.962 1.00 0.00 N ATOM 159 CA GLY A 321 46.046 -7.347 5.580 1.00 0.00 C ATOM 160 C GLY A 321 44.902 -6.796 4.750 1.00 0.00 C ATOM 161 O GLY A 321 44.849 -7.006 3.539 1.00 0.00 O ATOM 0 H GLY A 321 45.732 -6.756 7.565 1.00 0.00 H new ATOM 0 HA2 GLY A 321 46.884 -6.651 5.546 1.00 0.00 H new ATOM 0 HA3 GLY A 321 46.391 -8.283 5.141 1.00 0.00 H new ATOM 165 N ARG A 322 43.984 -6.089 5.403 1.00 0.00 N ATOM 166 CA ARG A 322 42.837 -5.508 4.717 1.00 0.00 C ATOM 167 C ARG A 322 43.018 -4.005 4.528 1.00 0.00 C ATOM 168 O ARG A 322 43.750 -3.359 5.277 1.00 0.00 O ATOM 169 CB ARG A 322 41.553 -5.784 5.502 1.00 0.00 C ATOM 170 CG ARG A 322 41.337 -7.255 5.815 1.00 0.00 C ATOM 171 CD ARG A 322 40.553 -7.951 4.713 1.00 0.00 C ATOM 172 NE ARG A 322 41.257 -7.916 3.434 1.00 0.00 N ATOM 173 CZ ARG A 322 42.259 -8.734 3.117 1.00 0.00 C ATOM 174 NH1 ARG A 322 42.680 -9.647 3.983 1.00 0.00 N ATOM 175 NH2 ARG A 322 42.841 -8.638 1.930 1.00 0.00 N ATOM 0 H ARG A 322 44.013 -5.905 6.406 1.00 0.00 H new ATOM 0 HA ARG A 322 42.761 -5.972 3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 322 41.580 -5.222 6.436 1.00 0.00 H new ATOM 0 HB3 ARG A 322 40.701 -5.413 4.932 1.00 0.00 H new ATOM 0 HG2 ARG A 322 42.302 -7.746 5.942 1.00 0.00 H new ATOM 0 HG3 ARG A 322 40.803 -7.352 6.760 1.00 0.00 H new ATOM 0 HD2 ARG A 322 40.370 -8.987 4.998 1.00 0.00 H new ATOM 0 HD3 ARG A 322 39.579 -7.473 4.604 1.00 0.00 H new ATOM 0 HE ARG A 322 40.964 -7.225 2.743 1.00 0.00 H new ATOM 0 HH11 ARG A 322 42.236 -9.725 4.898 1.00 0.00 H new ATOM 0 HH12 ARG A 322 43.448 -10.270 3.734 1.00 0.00 H new ATOM 0 HH21 ARG A 322 42.521 -7.938 1.260 1.00 0.00 H new ATOM 0 HH22 ARG A 322 43.609 -9.264 1.686 1.00 0.00 H new ATOM 189 N ALA A 323 42.346 -3.456 3.522 1.00 0.00 N ATOM 190 CA ALA A 323 42.431 -2.028 3.234 1.00 0.00 C ATOM 191 C ALA A 323 41.049 -1.383 3.245 1.00 0.00 C ATOM 192 O ALA A 323 40.031 -2.074 3.296 1.00 0.00 O ATOM 193 CB ALA A 323 43.109 -1.801 1.891 1.00 0.00 C ATOM 0 H ALA A 323 41.736 -3.978 2.892 1.00 0.00 H new ATOM 0 HA ALA A 323 43.029 -1.559 4.016 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.166 -0.732 1.688 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.115 -2.220 1.916 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.532 -2.289 1.105 1.00 0.00 H new ATOM 199 N PHE A 324 41.019 -0.056 3.200 1.00 0.00 N ATOM 200 CA PHE A 324 39.761 0.684 3.206 1.00 0.00 C ATOM 201 C PHE A 324 39.647 1.577 1.976 1.00 0.00 C ATOM 202 O PHE A 324 40.360 2.574 1.852 1.00 0.00 O ATOM 203 CB PHE A 324 39.648 1.527 4.476 1.00 0.00 C ATOM 204 CG PHE A 324 39.871 0.746 5.739 1.00 0.00 C ATOM 205 CD1 PHE A 324 39.144 -0.404 5.996 1.00 0.00 C ATOM 206 CD2 PHE A 324 40.809 1.163 6.670 1.00 0.00 C ATOM 207 CE1 PHE A 324 39.346 -1.124 7.157 1.00 0.00 C ATOM 208 CE2 PHE A 324 41.016 0.446 7.834 1.00 0.00 C ATOM 209 CZ PHE A 324 40.284 -0.699 8.078 1.00 0.00 C ATOM 0 H PHE A 324 41.852 0.531 3.159 1.00 0.00 H new ATOM 0 HA PHE A 324 38.944 -0.038 3.183 1.00 0.00 H new ATOM 0 HB2 PHE A 324 40.373 2.339 4.428 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.659 1.984 4.512 1.00 0.00 H new ATOM 0 HD1 PHE A 324 38.410 -0.742 5.280 1.00 0.00 H new ATOM 0 HD2 PHE A 324 41.385 2.058 6.484 1.00 0.00 H new ATOM 0 HE1 PHE A 324 38.771 -2.019 7.345 1.00 0.00 H new ATOM 0 HE2 PHE A 324 41.750 0.781 8.552 1.00 0.00 H new ATOM 0 HZ PHE A 324 40.444 -1.261 8.986 1.00 0.00 H new ATOM 219 N VAL A 325 38.746 1.216 1.067 1.00 0.00 N ATOM 220 CA VAL A 325 38.537 1.985 -0.153 1.00 0.00 C ATOM 221 C VAL A 325 37.102 2.494 -0.243 1.00 0.00 C ATOM 222 O VAL A 325 36.230 2.058 0.509 1.00 0.00 O ATOM 223 CB VAL A 325 38.853 1.150 -1.407 1.00 0.00 C ATOM 224 CG1 VAL A 325 40.354 1.070 -1.633 1.00 0.00 C ATOM 225 CG2 VAL A 325 38.249 -0.243 -1.290 1.00 0.00 C ATOM 0 H VAL A 325 38.148 0.394 1.154 1.00 0.00 H new ATOM 0 HA VAL A 325 39.219 2.834 -0.111 1.00 0.00 H new ATOM 0 HB VAL A 325 38.405 1.643 -2.270 1.00 0.00 H new ATOM 0 HG11 VAL A 325 40.557 0.476 -2.524 1.00 0.00 H new ATOM 0 HG12 VAL A 325 40.756 2.074 -1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 325 40.828 0.603 -0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 325 38.483 -0.818 -2.186 1.00 0.00 H new ATOM 0 HG22 VAL A 325 38.663 -0.747 -0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 325 37.167 -0.163 -1.183 1.00 0.00 H new ATOM 235 N THR A 326 36.864 3.417 -1.168 1.00 0.00 N ATOM 236 CA THR A 326 35.536 3.985 -1.356 1.00 0.00 C ATOM 237 C THR A 326 35.307 4.367 -2.815 1.00 0.00 C ATOM 238 O THR A 326 36.209 4.873 -3.483 1.00 0.00 O ATOM 239 CB THR A 326 35.347 5.212 -0.461 1.00 0.00 C ATOM 240 OG1 THR A 326 35.979 6.347 -1.028 1.00 0.00 O ATOM 241 CG2 THR A 326 35.901 5.028 0.936 1.00 0.00 C ATOM 0 H THR A 326 37.574 3.787 -1.799 1.00 0.00 H new ATOM 0 HA THR A 326 34.805 3.226 -1.078 1.00 0.00 H new ATOM 0 HB THR A 326 34.269 5.353 -0.389 1.00 0.00 H new ATOM 0 HG1 THR A 326 35.846 7.122 -0.443 1.00 0.00 H new ATOM 0 HG21 THR A 326 35.733 5.935 1.516 1.00 0.00 H new ATOM 0 HG22 THR A 326 35.399 4.190 1.419 1.00 0.00 H new ATOM 0 HG23 THR A 326 36.971 4.826 0.880 1.00 0.00 H new ATOM 249 N ILE A 327 34.095 4.121 -3.303 1.00 0.00 N ATOM 250 CA ILE A 327 33.748 4.441 -4.683 1.00 0.00 C ATOM 251 C ILE A 327 32.377 5.105 -4.762 1.00 0.00 C ATOM 252 O ILE A 327 31.547 4.947 -3.868 1.00 0.00 O ATOM 253 CB ILE A 327 33.747 3.182 -5.570 1.00 0.00 C ATOM 254 CG1 ILE A 327 35.028 2.374 -5.349 1.00 0.00 C ATOM 255 CG2 ILE A 327 33.604 3.567 -7.034 1.00 0.00 C ATOM 256 CD1 ILE A 327 34.864 1.241 -4.358 1.00 0.00 C ATOM 0 H ILE A 327 33.338 3.702 -2.764 1.00 0.00 H new ATOM 0 HA ILE A 327 34.508 5.132 -5.049 1.00 0.00 H new ATOM 0 HB ILE A 327 32.896 2.561 -5.292 1.00 0.00 H new ATOM 0 HG12 ILE A 327 35.360 1.966 -6.304 1.00 0.00 H new ATOM 0 HG13 ILE A 327 35.814 3.043 -4.998 1.00 0.00 H new ATOM 0 HG21 ILE A 327 33.605 2.667 -7.649 1.00 0.00 H new ATOM 0 HG22 ILE A 327 32.667 4.104 -7.179 1.00 0.00 H new ATOM 0 HG23 ILE A 327 34.438 4.206 -7.325 1.00 0.00 H new ATOM 0 HD11 ILE A 327 35.811 0.712 -4.251 1.00 0.00 H new ATOM 0 HD12 ILE A 327 34.562 1.644 -3.391 1.00 0.00 H new ATOM 0 HD13 ILE A 327 34.101 0.551 -4.718 1.00 0.00 H new ATOM 268 N GLY A 328 32.148 5.849 -5.840 1.00 0.00 N ATOM 269 CA GLY A 328 30.876 6.526 -6.014 1.00 0.00 C ATOM 270 C GLY A 328 30.930 7.598 -7.083 1.00 0.00 C ATOM 271 O GLY A 328 31.902 7.689 -7.833 1.00 0.00 O ATOM 0 H GLY A 328 32.819 5.995 -6.594 1.00 0.00 H new ATOM 0 HA2 GLY A 328 30.112 5.794 -6.276 1.00 0.00 H new ATOM 0 HA3 GLY A 328 30.575 6.976 -5.068 1.00 0.00 H new