USER MOD reduce.3.24.130724 H: found=0, std=0, add=143, rem=0, adj=3 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+ -164:sc= 0 (180deg=-0.00292) USER MOD Single : A 313 SER OG : rot 180:sc= -0.0744 USER MOD Single : A 317 GLN : amide:sc= -0.0144 X(o=-0.014,f=0) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.100 5.271 -4.492 1.00 0.00 N ATOM 2 CA LYS A 312 26.866 5.196 -3.253 1.00 0.00 C ATOM 3 C LYS A 312 27.165 3.747 -2.887 1.00 0.00 C ATOM 4 O LYS A 312 26.267 2.993 -2.507 1.00 0.00 O ATOM 5 CB LYS A 312 26.103 5.875 -2.115 1.00 0.00 C ATOM 6 CG LYS A 312 26.024 7.387 -2.251 1.00 0.00 C ATOM 7 CD LYS A 312 27.100 8.080 -1.429 1.00 0.00 C ATOM 8 CE LYS A 312 26.535 9.254 -0.647 1.00 0.00 C ATOM 9 NZ LYS A 312 25.706 8.807 0.507 1.00 0.00 N ATOM 0 HA LYS A 312 27.812 5.716 -3.407 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.092 5.469 -2.074 1.00 0.00 H new ATOM 0 HB3 LYS A 312 26.584 5.629 -1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 312 26.131 7.665 -3.300 1.00 0.00 H new ATOM 0 HG3 LYS A 312 25.041 7.731 -1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 312 27.549 7.365 -0.740 1.00 0.00 H new ATOM 0 HD3 LYS A 312 27.894 8.430 -2.089 1.00 0.00 H new ATOM 0 HE2 LYS A 312 27.353 9.877 -0.286 1.00 0.00 H new ATOM 0 HE3 LYS A 312 25.931 9.874 -1.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 25.127 9.601 0.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 25.085 8.029 0.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 26.327 8.478 1.274 1.00 0.00 H new ATOM 23 N SER A 313 28.431 3.362 -3.001 1.00 0.00 N ATOM 24 CA SER A 313 28.851 2.003 -2.679 1.00 0.00 C ATOM 25 C SER A 313 30.292 1.988 -2.181 1.00 0.00 C ATOM 26 O SER A 313 31.224 2.255 -2.939 1.00 0.00 O ATOM 27 CB SER A 313 28.713 1.100 -3.907 1.00 0.00 C ATOM 28 OG SER A 313 29.570 1.526 -4.953 1.00 0.00 O ATOM 0 H SER A 313 29.185 3.973 -3.314 1.00 0.00 H new ATOM 0 HA SER A 313 28.206 1.625 -1.886 1.00 0.00 H new ATOM 0 HB2 SER A 313 28.950 0.072 -3.634 1.00 0.00 H new ATOM 0 HB3 SER A 313 27.680 1.108 -4.254 1.00 0.00 H new ATOM 0 HG SER A 313 29.464 0.932 -5.725 1.00 0.00 H new ATOM 34 N ILE A 314 30.468 1.676 -0.901 1.00 0.00 N ATOM 35 CA ILE A 314 31.799 1.630 -0.305 1.00 0.00 C ATOM 36 C ILE A 314 32.335 0.207 -0.252 1.00 0.00 C ATOM 37 O ILE A 314 31.575 -0.760 -0.309 1.00 0.00 O ATOM 38 CB ILE A 314 31.812 2.199 1.129 1.00 0.00 C ATOM 39 CG1 ILE A 314 30.807 3.342 1.275 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.211 2.671 1.495 1.00 0.00 C ATOM 41 CD1 ILE A 314 31.075 4.506 0.346 1.00 0.00 C ATOM 0 H ILE A 314 29.709 1.452 -0.258 1.00 0.00 H new ATOM 0 HA ILE A 314 32.433 2.245 -0.944 1.00 0.00 H new ATOM 0 HB ILE A 314 31.519 1.403 1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 314 29.804 2.960 1.085 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.822 3.699 2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 314 33.207 3.070 2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 314 33.905 1.832 1.438 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.526 3.449 0.800 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.323 5.279 0.505 1.00 0.00 H new ATOM 0 HD12 ILE A 314 32.065 4.915 0.551 1.00 0.00 H new ATOM 0 HD13 ILE A 314 31.031 4.164 -0.688 1.00 0.00 H new ATOM 53 N ARG A 315 33.649 0.091 -0.121 1.00 0.00 N ATOM 54 CA ARG A 315 34.300 -1.208 -0.035 1.00 0.00 C ATOM 55 C ARG A 315 35.410 -1.166 1.008 1.00 0.00 C ATOM 56 O ARG A 315 36.587 -1.026 0.677 1.00 0.00 O ATOM 57 CB ARG A 315 34.864 -1.617 -1.399 1.00 0.00 C ATOM 58 CG ARG A 315 34.200 -2.853 -1.984 1.00 0.00 C ATOM 59 CD ARG A 315 32.896 -2.507 -2.685 1.00 0.00 C ATOM 60 NE ARG A 315 31.970 -3.637 -2.706 1.00 0.00 N ATOM 61 CZ ARG A 315 30.742 -3.581 -3.219 1.00 0.00 C ATOM 62 NH1 ARG A 315 30.290 -2.453 -3.753 1.00 0.00 N ATOM 63 NH2 ARG A 315 29.966 -4.655 -3.197 1.00 0.00 N ATOM 0 H ARG A 315 34.287 0.885 -0.072 1.00 0.00 H new ATOM 0 HA ARG A 315 33.561 -1.951 0.267 1.00 0.00 H new ATOM 0 HB2 ARG A 315 34.746 -0.787 -2.096 1.00 0.00 H new ATOM 0 HB3 ARG A 315 35.934 -1.801 -1.301 1.00 0.00 H new ATOM 0 HG2 ARG A 315 34.878 -3.331 -2.691 1.00 0.00 H new ATOM 0 HG3 ARG A 315 34.007 -3.574 -1.190 1.00 0.00 H new ATOM 0 HD2 ARG A 315 32.426 -1.662 -2.181 1.00 0.00 H new ATOM 0 HD3 ARG A 315 33.106 -2.191 -3.707 1.00 0.00 H new ATOM 0 HE ARG A 315 32.282 -4.521 -2.304 1.00 0.00 H new ATOM 0 HH11 ARG A 315 30.884 -1.624 -3.772 1.00 0.00 H new ATOM 0 HH12 ARG A 315 29.349 -2.415 -4.145 1.00 0.00 H new ATOM 0 HH21 ARG A 315 30.309 -5.524 -2.787 1.00 0.00 H new ATOM 0 HH22 ARG A 315 29.026 -4.613 -3.590 1.00 0.00 H new ATOM 77 N ILE A 316 35.019 -1.275 2.272 1.00 0.00 N ATOM 78 CA ILE A 316 35.972 -1.235 3.375 1.00 0.00 C ATOM 79 C ILE A 316 36.007 -2.560 4.128 1.00 0.00 C ATOM 80 O ILE A 316 34.968 -3.089 4.524 1.00 0.00 O ATOM 81 CB ILE A 316 35.639 -0.103 4.364 1.00 0.00 C ATOM 82 CG1 ILE A 316 34.125 0.044 4.524 1.00 0.00 C ATOM 83 CG2 ILE A 316 36.252 1.207 3.894 1.00 0.00 C ATOM 84 CD1 ILE A 316 33.736 1.027 5.601 1.00 0.00 C ATOM 0 H ILE A 316 34.047 -1.392 2.559 1.00 0.00 H new ATOM 0 HA ILE A 316 36.952 -1.048 2.935 1.00 0.00 H new ATOM 0 HB ILE A 316 36.064 -0.358 5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.695 0.365 3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 316 33.694 -0.930 4.756 1.00 0.00 H new ATOM 0 HG21 ILE A 316 36.008 1.998 4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 316 37.335 1.099 3.829 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.853 1.464 2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 316 32.649 1.086 5.665 1.00 0.00 H new ATOM 0 HD12 ILE A 316 34.138 0.696 6.558 1.00 0.00 H new ATOM 0 HD13 ILE A 316 34.139 2.010 5.359 1.00 0.00 H new ATOM 96 N GLN A 317 37.210 -3.088 4.327 1.00 0.00 N ATOM 97 CA GLN A 317 37.386 -4.350 5.037 1.00 0.00 C ATOM 98 C GLN A 317 38.326 -4.175 6.225 1.00 0.00 C ATOM 99 O GLN A 317 39.430 -3.647 6.082 1.00 0.00 O ATOM 100 CB GLN A 317 37.932 -5.420 4.091 1.00 0.00 C ATOM 101 CG GLN A 317 36.979 -5.778 2.962 1.00 0.00 C ATOM 102 CD GLN A 317 37.613 -5.631 1.592 1.00 0.00 C ATOM 103 OE1 GLN A 317 37.735 -6.601 0.844 1.00 0.00 O ATOM 104 NE2 GLN A 317 38.018 -4.411 1.257 1.00 0.00 N ATOM 0 H GLN A 317 38.079 -2.661 4.006 1.00 0.00 H new ATOM 0 HA GLN A 317 36.413 -4.670 5.409 1.00 0.00 H new ATOM 0 HB2 GLN A 317 38.872 -5.070 3.664 1.00 0.00 H new ATOM 0 HB3 GLN A 317 38.157 -6.319 4.664 1.00 0.00 H new ATOM 0 HG2 GLN A 317 36.638 -6.805 3.092 1.00 0.00 H new ATOM 0 HG3 GLN A 317 36.097 -5.140 3.020 1.00 0.00 H new ATOM 0 HE21 GLN A 317 37.897 -3.636 1.909 1.00 0.00 H new ATOM 0 HE22 GLN A 317 38.450 -4.249 0.348 1.00 0.00 H new ATOM 113 N ARG A 318 37.883 -4.620 7.395 1.00 0.00 N ATOM 114 CA ARG A 318 38.686 -4.511 8.607 1.00 0.00 C ATOM 115 C ARG A 318 39.563 -5.745 8.793 1.00 0.00 C ATOM 116 O ARG A 318 39.399 -6.747 8.099 1.00 0.00 O ATOM 117 CB ARG A 318 37.780 -4.321 9.826 1.00 0.00 C ATOM 118 CG ARG A 318 37.942 -2.968 10.498 1.00 0.00 C ATOM 119 CD ARG A 318 36.617 -2.450 11.034 1.00 0.00 C ATOM 120 NE ARG A 318 35.768 -1.915 9.971 1.00 0.00 N ATOM 121 CZ ARG A 318 34.463 -1.695 10.106 1.00 0.00 C ATOM 122 NH1 ARG A 318 33.853 -1.960 11.255 1.00 0.00 N ATOM 123 NH2 ARG A 318 33.765 -1.206 9.089 1.00 0.00 N ATOM 0 H ARG A 318 36.973 -5.060 7.530 1.00 0.00 H new ATOM 0 HA ARG A 318 39.336 -3.642 8.507 1.00 0.00 H new ATOM 0 HB2 ARG A 318 36.741 -4.443 9.519 1.00 0.00 H new ATOM 0 HB3 ARG A 318 37.992 -5.106 10.552 1.00 0.00 H new ATOM 0 HG2 ARG A 318 38.659 -3.050 11.315 1.00 0.00 H new ATOM 0 HG3 ARG A 318 38.352 -2.253 9.785 1.00 0.00 H new ATOM 0 HD2 ARG A 318 36.092 -3.257 11.545 1.00 0.00 H new ATOM 0 HD3 ARG A 318 36.805 -1.672 11.774 1.00 0.00 H new ATOM 0 HE ARG A 318 36.201 -1.698 9.074 1.00 0.00 H new ATOM 0 HH11 ARG A 318 34.385 -2.334 12.040 1.00 0.00 H new ATOM 0 HH12 ARG A 318 32.852 -1.789 11.352 1.00 0.00 H new ATOM 0 HH21 ARG A 318 34.229 -0.999 8.205 1.00 0.00 H new ATOM 0 HH22 ARG A 318 32.764 -1.037 9.192 1.00 0.00 H new ATOM 137 N GLY A 319 40.497 -5.662 9.737 1.00 0.00 N ATOM 138 CA GLY A 319 41.388 -6.776 9.999 1.00 0.00 C ATOM 139 C GLY A 319 42.796 -6.523 9.492 1.00 0.00 C ATOM 140 O GLY A 319 42.976 -5.919 8.435 1.00 0.00 O ATOM 0 H GLY A 319 40.652 -4.843 10.324 1.00 0.00 H new ATOM 0 HA2 GLY A 319 41.420 -6.967 11.072 1.00 0.00 H new ATOM 0 HA3 GLY A 319 40.991 -7.674 9.527 1.00 0.00 H new ATOM 144 N PRO A 320 43.826 -6.977 10.229 1.00 0.00 N ATOM 145 CA PRO A 320 45.225 -6.785 9.831 1.00 0.00 C ATOM 146 C PRO A 320 45.494 -7.274 8.411 1.00 0.00 C ATOM 147 O PRO A 320 45.552 -8.477 8.160 1.00 0.00 O ATOM 148 CB PRO A 320 46.003 -7.630 10.842 1.00 0.00 C ATOM 149 CG PRO A 320 45.116 -7.708 12.035 1.00 0.00 C ATOM 150 CD PRO A 320 43.709 -7.709 11.504 1.00 0.00 C ATOM 0 HA PRO A 320 45.507 -5.732 9.830 1.00 0.00 H new ATOM 0 HB2 PRO A 320 46.220 -8.622 10.445 1.00 0.00 H new ATOM 0 HB3 PRO A 320 46.959 -7.170 11.090 1.00 0.00 H new ATOM 0 HG2 PRO A 320 45.316 -8.611 12.612 1.00 0.00 H new ATOM 0 HG3 PRO A 320 45.282 -6.861 12.701 1.00 0.00 H new ATOM 0 HD2 PRO A 320 43.337 -8.722 11.353 1.00 0.00 H new ATOM 0 HD3 PRO A 320 43.020 -7.215 12.189 1.00 0.00 H new ATOM 158 N GLY A 321 45.660 -6.333 7.486 1.00 0.00 N ATOM 159 CA GLY A 321 45.921 -6.690 6.105 1.00 0.00 C ATOM 160 C GLY A 321 44.874 -6.149 5.150 1.00 0.00 C ATOM 161 O GLY A 321 45.127 -6.016 3.953 1.00 0.00 O ATOM 0 H GLY A 321 45.618 -5.330 7.669 1.00 0.00 H new ATOM 0 HA2 GLY A 321 46.901 -6.311 5.815 1.00 0.00 H new ATOM 0 HA3 GLY A 321 45.961 -7.776 6.016 1.00 0.00 H new ATOM 165 N ARG A 322 43.694 -5.838 5.679 1.00 0.00 N ATOM 166 CA ARG A 322 42.607 -5.311 4.862 1.00 0.00 C ATOM 167 C ARG A 322 42.662 -3.788 4.798 1.00 0.00 C ATOM 168 O ARG A 322 42.923 -3.123 5.800 1.00 0.00 O ATOM 169 CB ARG A 322 41.256 -5.762 5.419 1.00 0.00 C ATOM 170 CG ARG A 322 41.037 -7.264 5.338 1.00 0.00 C ATOM 171 CD ARG A 322 40.583 -7.687 3.950 1.00 0.00 C ATOM 172 NE ARG A 322 39.740 -8.880 3.989 1.00 0.00 N ATOM 173 CZ ARG A 322 40.211 -10.116 4.136 1.00 0.00 C ATOM 174 NH1 ARG A 322 41.515 -10.327 4.259 1.00 0.00 N ATOM 175 NH2 ARG A 322 39.374 -11.145 4.158 1.00 0.00 N ATOM 0 H ARG A 322 43.467 -5.942 6.668 1.00 0.00 H new ATOM 0 HA ARG A 322 42.724 -5.703 3.852 1.00 0.00 H new ATOM 0 HB2 ARG A 322 41.178 -5.447 6.460 1.00 0.00 H new ATOM 0 HB3 ARG A 322 40.460 -5.257 4.872 1.00 0.00 H new ATOM 0 HG2 ARG A 322 41.962 -7.782 5.593 1.00 0.00 H new ATOM 0 HG3 ARG A 322 40.290 -7.564 6.073 1.00 0.00 H new ATOM 0 HD2 ARG A 322 40.033 -6.870 3.484 1.00 0.00 H new ATOM 0 HD3 ARG A 322 41.456 -7.880 3.326 1.00 0.00 H new ATOM 0 HE ARG A 322 38.731 -8.758 3.898 1.00 0.00 H new ATOM 0 HH11 ARG A 322 42.163 -9.539 4.241 1.00 0.00 H new ATOM 0 HH12 ARG A 322 41.870 -11.277 4.371 1.00 0.00 H new ATOM 0 HH21 ARG A 322 38.371 -10.988 4.062 1.00 0.00 H new ATOM 0 HH22 ARG A 322 39.734 -12.093 4.271 1.00 0.00 H new ATOM 189 N ALA A 323 42.414 -3.242 3.611 1.00 0.00 N ATOM 190 CA ALA A 323 42.435 -1.797 3.415 1.00 0.00 C ATOM 191 C ALA A 323 41.022 -1.244 3.255 1.00 0.00 C ATOM 192 O ALA A 323 40.061 -2.000 3.114 1.00 0.00 O ATOM 193 CB ALA A 323 43.281 -1.443 2.202 1.00 0.00 C ATOM 0 H ALA A 323 42.196 -3.778 2.771 1.00 0.00 H new ATOM 0 HA ALA A 323 42.878 -1.341 4.300 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.288 -0.361 2.067 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.301 -1.797 2.354 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.861 -1.917 1.315 1.00 0.00 H new ATOM 199 N PHE A 324 40.905 0.079 3.279 1.00 0.00 N ATOM 200 CA PHE A 324 39.610 0.734 3.135 1.00 0.00 C ATOM 201 C PHE A 324 39.469 1.361 1.752 1.00 0.00 C ATOM 202 O PHE A 324 40.312 2.153 1.330 1.00 0.00 O ATOM 203 CB PHE A 324 39.432 1.805 4.214 1.00 0.00 C ATOM 204 CG PHE A 324 39.399 1.254 5.612 1.00 0.00 C ATOM 205 CD1 PHE A 324 38.709 0.087 5.897 1.00 0.00 C ATOM 206 CD2 PHE A 324 40.059 1.906 6.642 1.00 0.00 C ATOM 207 CE1 PHE A 324 38.677 -0.421 7.181 1.00 0.00 C ATOM 208 CE2 PHE A 324 40.031 1.403 7.929 1.00 0.00 C ATOM 209 CZ PHE A 324 39.339 0.239 8.199 1.00 0.00 C ATOM 0 H PHE A 324 41.691 0.719 3.397 1.00 0.00 H new ATOM 0 HA PHE A 324 38.834 -0.022 3.253 1.00 0.00 H new ATOM 0 HB2 PHE A 324 40.246 2.526 4.136 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.506 2.348 4.025 1.00 0.00 H new ATOM 0 HD1 PHE A 324 38.190 -0.432 5.105 1.00 0.00 H new ATOM 0 HD2 PHE A 324 40.601 2.817 6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 324 38.136 -1.332 7.389 1.00 0.00 H new ATOM 0 HE2 PHE A 324 40.550 1.920 8.723 1.00 0.00 H new ATOM 0 HZ PHE A 324 39.315 -0.155 9.204 1.00 0.00 H new ATOM 219 N VAL A 325 38.397 1.004 1.052 1.00 0.00 N ATOM 220 CA VAL A 325 38.145 1.532 -0.283 1.00 0.00 C ATOM 221 C VAL A 325 36.751 2.142 -0.375 1.00 0.00 C ATOM 222 O VAL A 325 35.844 1.759 0.365 1.00 0.00 O ATOM 223 CB VAL A 325 38.289 0.437 -1.358 1.00 0.00 C ATOM 224 CG1 VAL A 325 38.174 1.036 -2.752 1.00 0.00 C ATOM 225 CG2 VAL A 325 39.610 -0.301 -1.195 1.00 0.00 C ATOM 0 H VAL A 325 37.689 0.351 1.388 1.00 0.00 H new ATOM 0 HA VAL A 325 38.891 2.306 -0.465 1.00 0.00 H new ATOM 0 HB VAL A 325 37.479 -0.281 -1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 325 38.278 0.247 -3.497 1.00 0.00 H new ATOM 0 HG12 VAL A 325 37.201 1.514 -2.864 1.00 0.00 H new ATOM 0 HG13 VAL A 325 38.961 1.777 -2.896 1.00 0.00 H new ATOM 0 HG21 VAL A 325 39.694 -1.070 -1.963 1.00 0.00 H new ATOM 0 HG22 VAL A 325 40.435 0.404 -1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 325 39.648 -0.766 -0.210 1.00 0.00 H new ATOM 235 N THR A 326 36.586 3.094 -1.288 1.00 0.00 N ATOM 236 CA THR A 326 35.303 3.757 -1.477 1.00 0.00 C ATOM 237 C THR A 326 35.016 3.980 -2.958 1.00 0.00 C ATOM 238 O THR A 326 35.906 4.344 -3.726 1.00 0.00 O ATOM 239 CB THR A 326 35.281 5.094 -0.734 1.00 0.00 C ATOM 240 OG1 THR A 326 36.315 5.942 -1.201 1.00 0.00 O ATOM 241 CG2 THR A 326 35.444 4.952 0.764 1.00 0.00 C ATOM 0 H THR A 326 37.326 3.423 -1.908 1.00 0.00 H new ATOM 0 HA THR A 326 34.526 3.110 -1.070 1.00 0.00 H new ATOM 0 HB THR A 326 34.298 5.520 -0.935 1.00 0.00 H new ATOM 0 HG1 THR A 326 36.284 6.793 -0.716 1.00 0.00 H new ATOM 0 HG21 THR A 326 35.419 5.938 1.228 1.00 0.00 H new ATOM 0 HG22 THR A 326 34.632 4.343 1.162 1.00 0.00 H new ATOM 0 HG23 THR A 326 36.398 4.472 0.982 1.00 0.00 H new ATOM 249 N ILE A 327 33.765 3.760 -3.352 1.00 0.00 N ATOM 250 CA ILE A 327 33.359 3.938 -4.741 1.00 0.00 C ATOM 251 C ILE A 327 32.145 4.856 -4.842 1.00 0.00 C ATOM 252 O ILE A 327 31.150 4.664 -4.142 1.00 0.00 O ATOM 253 CB ILE A 327 33.024 2.591 -5.409 1.00 0.00 C ATOM 254 CG1 ILE A 327 34.111 1.557 -5.102 1.00 0.00 C ATOM 255 CG2 ILE A 327 32.866 2.771 -6.912 1.00 0.00 C ATOM 256 CD1 ILE A 327 33.736 0.601 -3.990 1.00 0.00 C ATOM 0 H ILE A 327 33.016 3.458 -2.729 1.00 0.00 H new ATOM 0 HA ILE A 327 34.203 4.391 -5.261 1.00 0.00 H new ATOM 0 HB ILE A 327 32.080 2.227 -5.004 1.00 0.00 H new ATOM 0 HG12 ILE A 327 34.324 0.986 -6.006 1.00 0.00 H new ATOM 0 HG13 ILE A 327 35.030 2.077 -4.830 1.00 0.00 H new ATOM 0 HG21 ILE A 327 32.629 1.811 -7.371 1.00 0.00 H new ATOM 0 HG22 ILE A 327 32.060 3.477 -7.111 1.00 0.00 H new ATOM 0 HG23 ILE A 327 33.796 3.155 -7.332 1.00 0.00 H new ATOM 0 HD11 ILE A 327 34.551 -0.104 -3.826 1.00 0.00 H new ATOM 0 HD12 ILE A 327 33.551 1.163 -3.074 1.00 0.00 H new ATOM 0 HD13 ILE A 327 32.835 0.055 -4.268 1.00 0.00 H new ATOM 268 N GLY A 328 32.234 5.853 -5.716 1.00 0.00 N ATOM 269 CA GLY A 328 31.136 6.784 -5.891 1.00 0.00 C ATOM 270 C GLY A 328 31.133 7.428 -7.265 1.00 0.00 C ATOM 271 O GLY A 328 32.189 7.626 -7.866 1.00 0.00 O ATOM 0 H GLY A 328 33.047 6.032 -6.306 1.00 0.00 H new ATOM 0 HA2 GLY A 328 30.192 6.261 -5.737 1.00 0.00 H new ATOM 0 HA3 GLY A 328 31.198 7.561 -5.129 1.00 0.00 H new TER 275 GLY A 328