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= -0.0901 USER MOD Single : A 317 GLN : amide:sc= -0.0958 X(o=-0.096,f=-0.0043) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.078 5.517 -4.179 1.00 0.00 N ATOM 2 CA LYS A 312 26.886 5.308 -2.982 1.00 0.00 C ATOM 3 C LYS A 312 27.226 3.832 -2.803 1.00 0.00 C ATOM 4 O LYS A 312 26.346 3.007 -2.558 1.00 0.00 O ATOM 5 CB LYS A 312 26.148 5.827 -1.748 1.00 0.00 C ATOM 6 CG LYS A 312 26.146 7.342 -1.633 1.00 0.00 C ATOM 7 CD LYS A 312 27.537 7.882 -1.342 1.00 0.00 C ATOM 8 CE LYS A 312 27.819 9.157 -2.124 1.00 0.00 C ATOM 9 NZ LYS A 312 29.157 9.123 -2.777 1.00 0.00 N ATOM 0 HA LYS A 312 27.817 5.863 -3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.118 5.472 -1.775 1.00 0.00 H new ATOM 0 HB3 LYS A 312 26.608 5.404 -0.855 1.00 0.00 H new ATOM 0 HG2 LYS A 312 25.772 7.777 -2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 312 25.463 7.647 -0.840 1.00 0.00 H new ATOM 0 HD2 LYS A 312 27.635 8.080 -0.275 1.00 0.00 H new ATOM 0 HD3 LYS A 312 28.281 7.127 -1.596 1.00 0.00 H new ATOM 0 HE2 LYS A 312 27.048 9.296 -2.882 1.00 0.00 H new ATOM 0 HE3 LYS A 312 27.764 10.014 -1.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 29.311 10.009 -3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 29.895 9.016 -2.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 29.201 8.320 -3.437 1.00 0.00 H new ATOM 23 N SER A 313 28.509 3.507 -2.923 1.00 0.00 N ATOM 24 CA SER A 313 28.968 2.131 -2.772 1.00 0.00 C ATOM 25 C SER A 313 30.392 2.094 -2.228 1.00 0.00 C ATOM 26 O SER A 313 31.347 2.411 -2.938 1.00 0.00 O ATOM 27 CB SER A 313 28.902 1.399 -4.114 1.00 0.00 C ATOM 28 OG SER A 313 27.994 2.032 -4.997 1.00 0.00 O ATOM 0 H SER A 313 29.250 4.178 -3.125 1.00 0.00 H new ATOM 0 HA SER A 313 28.312 1.629 -2.061 1.00 0.00 H new ATOM 0 HB2 SER A 313 29.894 1.372 -4.566 1.00 0.00 H new ATOM 0 HB3 SER A 313 28.596 0.365 -3.953 1.00 0.00 H new ATOM 0 HG SER A 313 27.972 1.546 -5.847 1.00 0.00 H new ATOM 34 N ILE A 314 30.530 1.707 -0.964 1.00 0.00 N ATOM 35 CA ILE A 314 31.840 1.630 -0.328 1.00 0.00 C ATOM 36 C ILE A 314 32.374 0.205 -0.331 1.00 0.00 C ATOM 37 O ILE A 314 31.617 -0.755 -0.464 1.00 0.00 O ATOM 38 CB ILE A 314 31.808 2.126 1.133 1.00 0.00 C ATOM 39 CG1 ILE A 314 30.783 3.246 1.313 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.189 2.597 1.561 1.00 0.00 C ATOM 41 CD1 ILE A 314 30.976 4.405 0.358 1.00 0.00 C ATOM 0 H ILE A 314 29.752 1.442 -0.361 1.00 0.00 H new ATOM 0 HA ILE A 314 32.494 2.277 -0.913 1.00 0.00 H new ATOM 0 HB ILE A 314 31.509 1.291 1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 314 29.782 2.836 1.176 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.839 3.617 2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 314 33.151 2.944 2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 314 33.896 1.771 1.481 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.511 3.414 0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.213 5.161 0.544 1.00 0.00 H new ATOM 0 HD12 ILE A 314 31.963 4.841 0.510 1.00 0.00 H new ATOM 0 HD13 ILE A 314 30.891 4.049 -0.669 1.00 0.00 H new ATOM 53 N ARG A 315 33.684 0.080 -0.166 1.00 0.00 N ATOM 54 CA ARG A 315 34.331 -1.222 -0.130 1.00 0.00 C ATOM 55 C ARG A 315 35.396 -1.244 0.958 1.00 0.00 C ATOM 56 O ARG A 315 36.586 -1.085 0.682 1.00 0.00 O ATOM 57 CB ARG A 315 34.957 -1.546 -1.485 1.00 0.00 C ATOM 58 CG ARG A 315 35.349 -3.007 -1.642 1.00 0.00 C ATOM 59 CD ARG A 315 34.202 -3.834 -2.201 1.00 0.00 C ATOM 60 NE ARG A 315 33.526 -4.605 -1.161 1.00 0.00 N ATOM 61 CZ ARG A 315 32.344 -5.195 -1.325 1.00 0.00 C ATOM 62 NH1 ARG A 315 31.705 -5.104 -2.486 1.00 0.00 N ATOM 63 NH2 ARG A 315 31.800 -5.877 -0.327 1.00 0.00 N ATOM 0 H ARG A 315 34.321 0.869 -0.055 1.00 0.00 H new ATOM 0 HA ARG A 315 33.579 -1.979 0.093 1.00 0.00 H new ATOM 0 HB2 ARG A 315 34.253 -1.281 -2.274 1.00 0.00 H new ATOM 0 HB3 ARG A 315 35.841 -0.924 -1.625 1.00 0.00 H new ATOM 0 HG2 ARG A 315 36.211 -3.084 -2.304 1.00 0.00 H new ATOM 0 HG3 ARG A 315 35.652 -3.410 -0.675 1.00 0.00 H new ATOM 0 HD2 ARG A 315 33.484 -3.175 -2.688 1.00 0.00 H new ATOM 0 HD3 ARG A 315 34.582 -4.512 -2.965 1.00 0.00 H new ATOM 0 HE ARG A 315 33.987 -4.697 -0.256 1.00 0.00 H new ATOM 0 HH11 ARG A 315 32.120 -4.580 -3.257 1.00 0.00 H new ATOM 0 HH12 ARG A 315 30.800 -5.558 -2.607 1.00 0.00 H new ATOM 0 HH21 ARG A 315 32.287 -5.950 0.566 1.00 0.00 H new ATOM 0 HH22 ARG A 315 30.894 -6.329 -0.452 1.00 0.00 H new ATOM 77 N ILE A 316 34.957 -1.426 2.197 1.00 0.00 N ATOM 78 CA ILE A 316 35.865 -1.452 3.335 1.00 0.00 C ATOM 79 C ILE A 316 35.776 -2.775 4.089 1.00 0.00 C ATOM 80 O ILE A 316 34.693 -3.333 4.261 1.00 0.00 O ATOM 81 CB ILE A 316 35.569 -0.298 4.309 1.00 0.00 C ATOM 82 CG1 ILE A 316 34.061 -0.091 4.451 1.00 0.00 C ATOM 83 CG2 ILE A 316 36.238 0.982 3.831 1.00 0.00 C ATOM 84 CD1 ILE A 316 33.700 1.023 5.404 1.00 0.00 C ATOM 0 H ILE A 316 33.975 -1.558 2.439 1.00 0.00 H new ATOM 0 HA ILE A 316 36.873 -1.337 2.936 1.00 0.00 H new ATOM 0 HB ILE A 316 35.975 -0.558 5.287 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.637 0.127 3.471 1.00 0.00 H new ATOM 0 HG13 ILE A 316 33.605 -1.018 4.797 1.00 0.00 H new ATOM 0 HG21 ILE A 316 36.020 1.789 4.530 1.00 0.00 H new ATOM 0 HG22 ILE A 316 37.316 0.831 3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.858 1.244 2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 316 32.616 1.118 5.459 1.00 0.00 H new ATOM 0 HD12 ILE A 316 34.095 0.797 6.394 1.00 0.00 H new ATOM 0 HD13 ILE A 316 34.128 1.960 5.047 1.00 0.00 H new ATOM 96 N GLN A 317 36.925 -3.269 4.538 1.00 0.00 N ATOM 97 CA GLN A 317 36.983 -4.524 5.277 1.00 0.00 C ATOM 98 C GLN A 317 37.973 -4.427 6.433 1.00 0.00 C ATOM 99 O GLN A 317 38.995 -3.746 6.331 1.00 0.00 O ATOM 100 CB GLN A 317 37.380 -5.672 4.346 1.00 0.00 C ATOM 101 CG GLN A 317 36.412 -5.882 3.191 1.00 0.00 C ATOM 102 CD GLN A 317 37.091 -5.793 1.837 1.00 0.00 C ATOM 103 OE1 GLN A 317 36.975 -6.698 1.011 1.00 0.00 O ATOM 104 NE2 GLN A 317 37.805 -4.698 1.605 1.00 0.00 N ATOM 0 H GLN A 317 37.830 -2.818 4.402 1.00 0.00 H new ATOM 0 HA GLN A 317 35.992 -4.723 5.685 1.00 0.00 H new ATOM 0 HB2 GLN A 317 38.374 -5.476 3.945 1.00 0.00 H new ATOM 0 HB3 GLN A 317 37.446 -6.593 4.926 1.00 0.00 H new ATOM 0 HG2 GLN A 317 35.938 -6.858 3.292 1.00 0.00 H new ATOM 0 HG3 GLN A 317 35.620 -5.136 3.246 1.00 0.00 H new ATOM 0 HE21 GLN A 317 37.873 -3.973 2.319 1.00 0.00 H new ATOM 0 HE22 GLN A 317 38.285 -4.582 0.713 1.00 0.00 H new ATOM 113 N ARG A 318 37.666 -5.108 7.531 1.00 0.00 N ATOM 114 CA ARG A 318 38.531 -5.094 8.705 1.00 0.00 C ATOM 115 C ARG A 318 39.507 -6.265 8.679 1.00 0.00 C ATOM 116 O ARG A 318 39.193 -7.337 8.162 1.00 0.00 O ATOM 117 CB ARG A 318 37.693 -5.145 9.983 1.00 0.00 C ATOM 118 CG ARG A 318 36.504 -4.198 9.971 1.00 0.00 C ATOM 119 CD ARG A 318 36.275 -3.572 11.338 1.00 0.00 C ATOM 120 NE ARG A 318 35.879 -4.563 12.335 1.00 0.00 N ATOM 121 CZ ARG A 318 35.803 -4.312 13.640 1.00 0.00 C ATOM 122 NH1 ARG A 318 36.096 -3.105 14.108 1.00 0.00 N ATOM 123 NH2 ARG A 318 35.433 -5.270 14.479 1.00 0.00 N ATOM 0 H ARG A 318 36.825 -5.676 7.633 1.00 0.00 H new ATOM 0 HA ARG A 318 39.104 -4.167 8.689 1.00 0.00 H new ATOM 0 HB2 ARG A 318 37.334 -6.163 10.131 1.00 0.00 H new ATOM 0 HB3 ARG A 318 38.330 -4.904 10.834 1.00 0.00 H new ATOM 0 HG2 ARG A 318 36.671 -3.413 9.234 1.00 0.00 H new ATOM 0 HG3 ARG A 318 35.609 -4.740 9.663 1.00 0.00 H new ATOM 0 HD2 ARG A 318 37.187 -3.073 11.665 1.00 0.00 H new ATOM 0 HD3 ARG A 318 35.503 -2.807 11.261 1.00 0.00 H new ATOM 0 HE ARG A 318 35.647 -5.502 12.012 1.00 0.00 H new ATOM 0 HH11 ARG A 318 36.381 -2.365 13.467 1.00 0.00 H new ATOM 0 HH12 ARG A 318 36.036 -2.918 15.109 1.00 0.00 H new ATOM 0 HH21 ARG A 318 35.207 -6.199 14.124 1.00 0.00 H new ATOM 0 HH22 ARG A 318 35.375 -5.078 15.479 1.00 0.00 H new ATOM 137 N GLY A 319 40.693 -6.051 9.240 1.00 0.00 N ATOM 138 CA GLY A 319 41.698 -7.097 9.273 1.00 0.00 C ATOM 139 C GLY A 319 43.107 -6.555 9.123 1.00 0.00 C ATOM 140 O GLY A 319 43.296 -5.442 8.631 1.00 0.00 O ATOM 0 H GLY A 319 40.976 -5.172 9.672 1.00 0.00 H new ATOM 0 HA2 GLY A 319 41.620 -7.641 10.214 1.00 0.00 H new ATOM 0 HA3 GLY A 319 41.500 -7.812 8.474 1.00 0.00 H new ATOM 144 N PRO A 320 44.127 -7.325 9.542 1.00 0.00 N ATOM 145 CA PRO A 320 45.527 -6.903 9.445 1.00 0.00 C ATOM 146 C PRO A 320 45.898 -6.445 8.040 1.00 0.00 C ATOM 147 O PRO A 320 46.324 -5.307 7.839 1.00 0.00 O ATOM 148 CB PRO A 320 46.307 -8.165 9.820 1.00 0.00 C ATOM 149 CG PRO A 320 45.369 -8.952 10.670 1.00 0.00 C ATOM 150 CD PRO A 320 43.991 -8.667 10.139 1.00 0.00 C ATOM 0 HA PRO A 320 45.740 -6.049 10.088 1.00 0.00 H new ATOM 0 HB2 PRO A 320 46.603 -8.726 8.933 1.00 0.00 H new ATOM 0 HB3 PRO A 320 47.221 -7.919 10.361 1.00 0.00 H new ATOM 0 HG2 PRO A 320 45.595 -10.017 10.618 1.00 0.00 H new ATOM 0 HG3 PRO A 320 45.452 -8.660 11.717 1.00 0.00 H new ATOM 0 HD2 PRO A 320 43.684 -9.407 9.400 1.00 0.00 H new ATOM 0 HD3 PRO A 320 43.244 -8.680 10.932 1.00 0.00 H new ATOM 158 N GLY A 321 45.735 -7.338 7.070 1.00 0.00 N ATOM 159 CA GLY A 321 46.057 -7.007 5.694 1.00 0.00 C ATOM 160 C GLY A 321 44.847 -6.535 4.912 1.00 0.00 C ATOM 161 O GLY A 321 44.690 -6.869 3.738 1.00 0.00 O ATOM 0 H GLY A 321 45.385 -8.286 7.212 1.00 0.00 H new ATOM 0 HA2 GLY A 321 46.821 -6.229 5.680 1.00 0.00 H new ATOM 0 HA3 GLY A 321 46.484 -7.882 5.204 1.00 0.00 H new ATOM 165 N ARG A 322 43.990 -5.755 5.564 1.00 0.00 N ATOM 166 CA ARG A 322 42.787 -5.237 4.921 1.00 0.00 C ATOM 167 C ARG A 322 42.905 -3.735 4.679 1.00 0.00 C ATOM 168 O ARG A 322 43.469 -3.007 5.496 1.00 0.00 O ATOM 169 CB ARG A 322 41.556 -5.538 5.781 1.00 0.00 C ATOM 170 CG ARG A 322 40.582 -6.506 5.129 1.00 0.00 C ATOM 171 CD ARG A 322 40.826 -7.935 5.586 1.00 0.00 C ATOM 172 NE ARG A 322 42.148 -8.417 5.193 1.00 0.00 N ATOM 173 CZ ARG A 322 42.447 -8.852 3.971 1.00 0.00 C ATOM 174 NH1 ARG A 322 41.521 -8.865 3.020 1.00 0.00 N ATOM 175 NH2 ARG A 322 43.673 -9.274 3.697 1.00 0.00 N ATOM 0 H ARG A 322 44.106 -5.468 6.536 1.00 0.00 H new ATOM 0 HA ARG A 322 42.675 -5.732 3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 322 41.882 -5.951 6.736 1.00 0.00 H new ATOM 0 HB3 ARG A 322 41.037 -4.604 5.998 1.00 0.00 H new ATOM 0 HG2 ARG A 322 39.560 -6.215 5.372 1.00 0.00 H new ATOM 0 HG3 ARG A 322 40.680 -6.448 4.045 1.00 0.00 H new ATOM 0 HD2 ARG A 322 40.727 -7.991 6.670 1.00 0.00 H new ATOM 0 HD3 ARG A 322 40.062 -8.587 5.162 1.00 0.00 H new ATOM 0 HE ARG A 322 42.886 -8.420 5.897 1.00 0.00 H new ATOM 0 HH11 ARG A 322 40.576 -8.541 3.224 1.00 0.00 H new ATOM 0 HH12 ARG A 322 41.755 -9.199 2.085 1.00 0.00 H new ATOM 0 HH21 ARG A 322 44.389 -9.266 4.423 1.00 0.00 H new ATOM 0 HH22 ARG A 322 43.900 -9.607 2.760 1.00 0.00 H new ATOM 189 N ALA A 323 42.370 -3.279 3.550 1.00 0.00 N ATOM 190 CA ALA A 323 42.414 -1.864 3.201 1.00 0.00 C ATOM 191 C ALA A 323 41.012 -1.269 3.137 1.00 0.00 C ATOM 192 O ALA A 323 40.017 -1.994 3.183 1.00 0.00 O ATOM 193 CB ALA A 323 43.131 -1.673 1.872 1.00 0.00 C ATOM 0 H ALA A 323 41.902 -3.869 2.862 1.00 0.00 H new ATOM 0 HA ALA A 323 42.966 -1.339 3.981 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.158 -0.612 1.622 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.150 -2.053 1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.600 -2.217 1.091 1.00 0.00 H new ATOM 199 N PHE A 324 40.938 0.054 3.030 1.00 0.00 N ATOM 200 CA PHE A 324 39.656 0.746 2.959 1.00 0.00 C ATOM 201 C PHE A 324 39.568 1.602 1.699 1.00 0.00 C ATOM 202 O PHE A 324 40.250 2.619 1.578 1.00 0.00 O ATOM 203 CB PHE A 324 39.455 1.619 4.199 1.00 0.00 C ATOM 204 CG PHE A 324 39.445 0.844 5.485 1.00 0.00 C ATOM 205 CD1 PHE A 324 38.626 -0.262 5.635 1.00 0.00 C ATOM 206 CD2 PHE A 324 40.255 1.223 6.543 1.00 0.00 C ATOM 207 CE1 PHE A 324 38.613 -0.978 6.818 1.00 0.00 C ATOM 208 CE2 PHE A 324 40.247 0.512 7.729 1.00 0.00 C ATOM 209 CZ PHE A 324 39.425 -0.590 7.866 1.00 0.00 C ATOM 0 H PHE A 324 41.751 0.668 2.991 1.00 0.00 H new ATOM 0 HA PHE A 324 38.867 -0.005 2.921 1.00 0.00 H new ATOM 0 HB2 PHE A 324 40.249 2.365 4.240 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.514 2.160 4.103 1.00 0.00 H new ATOM 0 HD1 PHE A 324 37.990 -0.569 4.818 1.00 0.00 H new ATOM 0 HD2 PHE A 324 40.900 2.083 6.440 1.00 0.00 H new ATOM 0 HE1 PHE A 324 37.969 -1.839 6.922 1.00 0.00 H new ATOM 0 HE2 PHE A 324 40.882 0.818 8.547 1.00 0.00 H new ATOM 0 HZ PHE A 324 39.417 -1.147 8.791 1.00 0.00 H new ATOM 219 N VAL A 325 38.722 1.182 0.763 1.00 0.00 N ATOM 220 CA VAL A 325 38.542 1.907 -0.488 1.00 0.00 C ATOM 221 C VAL A 325 37.065 2.167 -0.764 1.00 0.00 C ATOM 222 O VAL A 325 36.272 1.234 -0.882 1.00 0.00 O ATOM 223 CB VAL A 325 39.143 1.134 -1.678 1.00 0.00 C ATOM 224 CG1 VAL A 325 40.639 1.388 -1.781 1.00 0.00 C ATOM 225 CG2 VAL A 325 38.855 -0.355 -1.553 1.00 0.00 C ATOM 0 H VAL A 325 38.150 0.342 0.849 1.00 0.00 H new ATOM 0 HA VAL A 325 39.064 2.858 -0.379 1.00 0.00 H new ATOM 0 HB VAL A 325 38.673 1.494 -2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 325 41.045 0.834 -2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 325 40.818 2.453 -1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 325 41.128 1.059 -0.864 1.00 0.00 H new ATOM 0 HG21 VAL A 325 39.288 -0.882 -2.403 1.00 0.00 H new ATOM 0 HG22 VAL A 325 39.293 -0.734 -0.630 1.00 0.00 H new ATOM 0 HG23 VAL A 325 37.777 -0.517 -1.536 1.00 0.00 H new ATOM 235 N THR A 326 36.701 3.443 -0.865 1.00 0.00 N ATOM 236 CA THR A 326 35.321 3.825 -1.126 1.00 0.00 C ATOM 237 C THR A 326 35.097 4.088 -2.612 1.00 0.00 C ATOM 238 O THR A 326 36.023 4.454 -3.334 1.00 0.00 O ATOM 239 CB THR A 326 34.951 5.066 -0.313 1.00 0.00 C ATOM 240 OG1 THR A 326 35.568 6.222 -0.853 1.00 0.00 O ATOM 241 CG2 THR A 326 35.353 4.971 1.144 1.00 0.00 C ATOM 0 H THR A 326 37.345 4.228 -0.770 1.00 0.00 H new ATOM 0 HA THR A 326 34.679 2.997 -0.824 1.00 0.00 H new ATOM 0 HB THR A 326 33.865 5.134 -0.370 1.00 0.00 H new ATOM 0 HG1 THR A 326 35.318 7.006 -0.320 1.00 0.00 H new ATOM 0 HG21 THR A 326 35.061 5.884 1.662 1.00 0.00 H new ATOM 0 HG22 THR A 326 34.855 4.118 1.604 1.00 0.00 H new ATOM 0 HG23 THR A 326 36.433 4.843 1.216 1.00 0.00 H new ATOM 249 N ILE A 327 33.859 3.900 -3.059 1.00 0.00 N ATOM 250 CA ILE A 327 33.509 4.119 -4.458 1.00 0.00 C ATOM 251 C ILE A 327 32.205 4.900 -4.581 1.00 0.00 C ATOM 252 O ILE A 327 31.309 4.768 -3.748 1.00 0.00 O ATOM 253 CB ILE A 327 33.369 2.786 -5.218 1.00 0.00 C ATOM 254 CG1 ILE A 327 34.586 1.895 -4.962 1.00 0.00 C ATOM 255 CG2 ILE A 327 33.198 3.041 -6.708 1.00 0.00 C ATOM 256 CD1 ILE A 327 34.338 0.433 -5.265 1.00 0.00 C ATOM 0 H ILE A 327 33.082 3.597 -2.473 1.00 0.00 H new ATOM 0 HA ILE A 327 34.320 4.697 -4.901 1.00 0.00 H new ATOM 0 HB ILE A 327 32.481 2.270 -4.852 1.00 0.00 H new ATOM 0 HG12 ILE A 327 35.419 2.248 -5.570 1.00 0.00 H new ATOM 0 HG13 ILE A 327 34.887 1.996 -3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 327 33.100 2.090 -7.231 1.00 0.00 H new ATOM 0 HG22 ILE A 327 32.303 3.640 -6.874 1.00 0.00 H new ATOM 0 HG23 ILE A 327 34.068 3.576 -7.088 1.00 0.00 H new ATOM 0 HD11 ILE A 327 35.243 -0.139 -5.061 1.00 0.00 H new ATOM 0 HD12 ILE A 327 33.526 0.064 -4.638 1.00 0.00 H new ATOM 0 HD13 ILE A 327 34.066 0.320 -6.314 1.00 0.00 H new ATOM 268 N GLY A 328 32.106 5.715 -5.627 1.00 0.00 N ATOM 269 CA GLY A 328 30.909 6.506 -5.841 1.00 0.00 C ATOM 270 C GLY A 328 31.011 7.393 -7.067 1.00 0.00 C ATOM 271 O GLY A 328 32.088 7.543 -7.644 1.00 0.00 O ATOM 0 H GLY A 328 32.834 5.841 -6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 328 30.052 5.841 -5.948 1.00 0.00 H new ATOM 0 HA3 GLY A 328 30.724 7.125 -4.963 1.00 0.00 H new TER 275 GLY A 328