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= -0.155 X(o=-0.16,f=-0.016) USER MOD Single : A 326 THR OG1 : rot 180:sc= -0.0278 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.844 6.120 -4.450 1.00 0.00 N ATOM 2 CA LYS A 312 27.629 5.906 -3.240 1.00 0.00 C ATOM 3 C LYS A 312 27.895 4.422 -3.017 1.00 0.00 C ATOM 4 O LYS A 312 26.980 3.653 -2.723 1.00 0.00 O ATOM 5 CB LYS A 312 26.904 6.493 -2.027 1.00 0.00 C ATOM 6 CG LYS A 312 27.220 7.960 -1.781 1.00 0.00 C ATOM 7 CD LYS A 312 28.591 8.136 -1.150 1.00 0.00 C ATOM 8 CE LYS A 312 28.538 7.951 0.359 1.00 0.00 C ATOM 9 NZ LYS A 312 29.814 8.350 1.016 1.00 0.00 N ATOM 0 HA LYS A 312 28.586 6.413 -3.365 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.829 6.380 -2.167 1.00 0.00 H new ATOM 0 HB3 LYS A 312 27.172 5.918 -1.140 1.00 0.00 H new ATOM 0 HG2 LYS A 312 27.180 8.505 -2.724 1.00 0.00 H new ATOM 0 HG3 LYS A 312 26.460 8.393 -1.130 1.00 0.00 H new ATOM 0 HD2 LYS A 312 29.286 7.416 -1.582 1.00 0.00 H new ATOM 0 HD3 LYS A 312 28.975 9.129 -1.383 1.00 0.00 H new ATOM 0 HE2 LYS A 312 27.719 8.543 0.768 1.00 0.00 H new ATOM 0 HE3 LYS A 312 28.323 6.907 0.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 29.735 8.208 2.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 30.592 7.768 0.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 30.007 9.353 0.819 1.00 0.00 H new ATOM 23 N SER A 313 29.156 4.025 -3.156 1.00 0.00 N ATOM 24 CA SER A 313 29.547 2.633 -2.968 1.00 0.00 C ATOM 25 C SER A 313 30.903 2.541 -2.276 1.00 0.00 C ATOM 26 O SER A 313 31.935 2.861 -2.865 1.00 0.00 O ATOM 27 CB SER A 313 29.600 1.911 -4.316 1.00 0.00 C ATOM 28 OG SER A 313 29.991 2.794 -5.353 1.00 0.00 O ATOM 0 H SER A 313 29.925 4.649 -3.399 1.00 0.00 H new ATOM 0 HA SER A 313 28.801 2.152 -2.335 1.00 0.00 H new ATOM 0 HB2 SER A 313 30.302 1.079 -4.259 1.00 0.00 H new ATOM 0 HB3 SER A 313 28.622 1.488 -4.544 1.00 0.00 H new ATOM 0 HG SER A 313 30.019 2.308 -6.203 1.00 0.00 H new ATOM 34 N ILE A 314 30.893 2.105 -1.020 1.00 0.00 N ATOM 35 CA ILE A 314 32.126 1.976 -0.249 1.00 0.00 C ATOM 36 C ILE A 314 32.587 0.526 -0.181 1.00 0.00 C ATOM 37 O ILE A 314 31.801 -0.400 -0.386 1.00 0.00 O ATOM 38 CB ILE A 314 31.967 2.500 1.193 1.00 0.00 C ATOM 39 CG1 ILE A 314 30.920 3.613 1.261 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.304 2.995 1.723 1.00 0.00 C ATOM 41 CD1 ILE A 314 31.242 4.800 0.380 1.00 0.00 C ATOM 0 H ILE A 314 30.048 1.836 -0.516 1.00 0.00 H new ATOM 0 HA ILE A 314 32.869 2.580 -0.769 1.00 0.00 H new ATOM 0 HB ILE A 314 31.623 1.676 1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 314 29.951 3.207 0.970 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.828 3.951 2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 314 33.178 3.362 2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 314 34.023 2.176 1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.670 3.802 1.089 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.457 5.550 0.479 1.00 0.00 H new ATOM 0 HD12 ILE A 314 32.196 5.231 0.684 1.00 0.00 H new ATOM 0 HD13 ILE A 314 31.306 4.476 -0.659 1.00 0.00 H new ATOM 53 N ARG A 315 33.865 0.339 0.124 1.00 0.00 N ATOM 54 CA ARG A 315 34.439 -0.993 0.240 1.00 0.00 C ATOM 55 C ARG A 315 35.336 -1.073 1.469 1.00 0.00 C ATOM 56 O ARG A 315 36.560 -0.978 1.366 1.00 0.00 O ATOM 57 CB ARG A 315 35.234 -1.345 -1.021 1.00 0.00 C ATOM 58 CG ARG A 315 34.581 -2.422 -1.872 1.00 0.00 C ATOM 59 CD ARG A 315 33.251 -1.956 -2.443 1.00 0.00 C ATOM 60 NE ARG A 315 32.128 -2.728 -1.916 1.00 0.00 N ATOM 61 CZ ARG A 315 30.930 -2.781 -2.493 1.00 0.00 C ATOM 62 NH1 ARG A 315 30.694 -2.109 -3.612 1.00 0.00 N ATOM 63 NH2 ARG A 315 29.964 -3.508 -1.947 1.00 0.00 N ATOM 0 H ARG A 315 34.525 1.097 0.296 1.00 0.00 H new ATOM 0 HA ARG A 315 33.628 -1.713 0.350 1.00 0.00 H new ATOM 0 HB2 ARG A 315 35.361 -0.445 -1.623 1.00 0.00 H new ATOM 0 HB3 ARG A 315 36.231 -1.678 -0.731 1.00 0.00 H new ATOM 0 HG2 ARG A 315 35.250 -2.698 -2.687 1.00 0.00 H new ATOM 0 HG3 ARG A 315 34.425 -3.317 -1.270 1.00 0.00 H new ATOM 0 HD2 ARG A 315 33.106 -0.901 -2.210 1.00 0.00 H new ATOM 0 HD3 ARG A 315 33.273 -2.043 -3.529 1.00 0.00 H new ATOM 0 HE ARG A 315 32.271 -3.257 -1.056 1.00 0.00 H new ATOM 0 HH11 ARG A 315 31.433 -1.547 -4.035 1.00 0.00 H new ATOM 0 HH12 ARG A 315 29.774 -2.154 -4.049 1.00 0.00 H new ATOM 0 HH21 ARG A 315 30.140 -4.026 -1.086 1.00 0.00 H new ATOM 0 HH22 ARG A 315 29.045 -3.549 -2.388 1.00 0.00 H new ATOM 77 N ILE A 316 34.718 -1.239 2.633 1.00 0.00 N ATOM 78 CA ILE A 316 35.456 -1.321 3.888 1.00 0.00 C ATOM 79 C ILE A 316 35.311 -2.698 4.528 1.00 0.00 C ATOM 80 O ILE A 316 34.201 -3.191 4.720 1.00 0.00 O ATOM 81 CB ILE A 316 34.988 -0.250 4.891 1.00 0.00 C ATOM 82 CG1 ILE A 316 33.480 -0.023 4.778 1.00 0.00 C ATOM 83 CG2 ILE A 316 35.740 1.054 4.660 1.00 0.00 C ATOM 84 CD1 ILE A 316 32.958 1.002 5.756 1.00 0.00 C ATOM 0 H ILE A 316 33.706 -1.320 2.734 1.00 0.00 H new ATOM 0 HA ILE A 316 36.504 -1.146 3.645 1.00 0.00 H new ATOM 0 HB ILE A 316 35.205 -0.605 5.898 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.242 0.298 3.764 1.00 0.00 H new ATOM 0 HG13 ILE A 316 32.963 -0.969 4.942 1.00 0.00 H new ATOM 0 HG21 ILE A 316 35.399 1.802 5.376 1.00 0.00 H new ATOM 0 HG22 ILE A 316 36.809 0.886 4.792 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.551 1.409 3.647 1.00 0.00 H new ATOM 0 HD11 ILE A 316 31.882 1.116 5.624 1.00 0.00 H new ATOM 0 HD12 ILE A 316 33.166 0.672 6.774 1.00 0.00 H new ATOM 0 HD13 ILE A 316 33.449 1.959 5.577 1.00 0.00 H new ATOM 96 N GLN A 317 36.444 -3.312 4.854 1.00 0.00 N ATOM 97 CA GLN A 317 36.449 -4.632 5.474 1.00 0.00 C ATOM 98 C GLN A 317 37.436 -4.682 6.635 1.00 0.00 C ATOM 99 O GLN A 317 38.401 -3.919 6.675 1.00 0.00 O ATOM 100 CB GLN A 317 36.804 -5.703 4.441 1.00 0.00 C ATOM 101 CG GLN A 317 35.915 -5.679 3.208 1.00 0.00 C ATOM 102 CD GLN A 317 36.696 -5.463 1.927 1.00 0.00 C ATOM 103 OE1 GLN A 317 36.546 -6.212 0.961 1.00 0.00 O ATOM 104 NE2 GLN A 317 37.537 -4.436 1.912 1.00 0.00 N ATOM 0 H GLN A 317 37.371 -2.916 4.699 1.00 0.00 H new ATOM 0 HA GLN A 317 35.449 -4.829 5.861 1.00 0.00 H new ATOM 0 HB2 GLN A 317 37.841 -5.569 4.133 1.00 0.00 H new ATOM 0 HB3 GLN A 317 36.735 -6.685 4.909 1.00 0.00 H new ATOM 0 HG2 GLN A 317 35.368 -6.620 3.141 1.00 0.00 H new ATOM 0 HG3 GLN A 317 35.174 -4.887 3.315 1.00 0.00 H new ATOM 0 HE21 GLN A 317 37.630 -3.841 2.735 1.00 0.00 H new ATOM 0 HE22 GLN A 317 38.090 -4.242 1.077 1.00 0.00 H new ATOM 113 N ARG A 318 37.188 -5.584 7.580 1.00 0.00 N ATOM 114 CA ARG A 318 38.056 -5.732 8.742 1.00 0.00 C ATOM 115 C ARG A 318 38.657 -7.132 8.799 1.00 0.00 C ATOM 116 O ARG A 318 37.954 -8.129 8.628 1.00 0.00 O ATOM 117 CB ARG A 318 37.277 -5.447 10.028 1.00 0.00 C ATOM 118 CG ARG A 318 36.010 -6.274 10.169 1.00 0.00 C ATOM 119 CD ARG A 318 35.511 -6.289 11.605 1.00 0.00 C ATOM 120 NE ARG A 318 34.054 -6.363 11.678 1.00 0.00 N ATOM 121 CZ ARG A 318 33.372 -6.446 12.818 1.00 0.00 C ATOM 122 NH1 ARG A 318 34.011 -6.468 13.982 1.00 0.00 N ATOM 123 NH2 ARG A 318 32.048 -6.508 12.796 1.00 0.00 N ATOM 0 H ARG A 318 36.393 -6.223 7.563 1.00 0.00 H new ATOM 0 HA ARG A 318 38.868 -5.011 8.650 1.00 0.00 H new ATOM 0 HB2 ARG A 318 37.923 -5.639 10.884 1.00 0.00 H new ATOM 0 HB3 ARG A 318 37.015 -4.389 10.057 1.00 0.00 H new ATOM 0 HG2 ARG A 318 35.235 -5.869 9.518 1.00 0.00 H new ATOM 0 HG3 ARG A 318 36.202 -7.295 9.839 1.00 0.00 H new ATOM 0 HD2 ARG A 318 35.944 -7.140 12.130 1.00 0.00 H new ATOM 0 HD3 ARG A 318 35.854 -5.390 12.117 1.00 0.00 H new ATOM 0 HE ARG A 318 33.528 -6.350 10.804 1.00 0.00 H new ATOM 0 HH11 ARG A 318 35.030 -6.421 14.006 1.00 0.00 H new ATOM 0 HH12 ARG A 318 33.483 -6.532 14.852 1.00 0.00 H new ATOM 0 HH21 ARG A 318 31.551 -6.492 11.905 1.00 0.00 H new ATOM 0 HH22 ARG A 318 31.526 -6.572 13.670 1.00 0.00 H new ATOM 137 N GLY A 319 39.963 -7.202 9.041 1.00 0.00 N ATOM 138 CA GLY A 319 40.636 -8.485 9.117 1.00 0.00 C ATOM 139 C GLY A 319 42.041 -8.438 8.542 1.00 0.00 C ATOM 140 O GLY A 319 42.409 -7.469 7.879 1.00 0.00 O ATOM 0 H GLY A 319 40.567 -6.393 9.186 1.00 0.00 H new ATOM 0 HA2 GLY A 319 40.683 -8.806 10.158 1.00 0.00 H new ATOM 0 HA3 GLY A 319 40.051 -9.231 8.579 1.00 0.00 H new ATOM 144 N PRO A 320 42.855 -9.480 8.783 1.00 0.00 N ATOM 145 CA PRO A 320 44.230 -9.540 8.278 1.00 0.00 C ATOM 146 C PRO A 320 44.303 -9.341 6.769 1.00 0.00 C ATOM 147 O PRO A 320 43.979 -10.244 5.997 1.00 0.00 O ATOM 148 CB PRO A 320 44.689 -10.952 8.653 1.00 0.00 C ATOM 149 CG PRO A 320 43.827 -11.341 9.803 1.00 0.00 C ATOM 150 CD PRO A 320 42.499 -10.677 9.566 1.00 0.00 C ATOM 0 HA PRO A 320 44.851 -8.750 8.700 1.00 0.00 H new ATOM 0 HB2 PRO A 320 44.569 -11.642 7.818 1.00 0.00 H new ATOM 0 HB3 PRO A 320 45.744 -10.965 8.927 1.00 0.00 H new ATOM 0 HG2 PRO A 320 43.717 -12.424 9.860 1.00 0.00 H new ATOM 0 HG3 PRO A 320 44.264 -11.015 10.747 1.00 0.00 H new ATOM 0 HD2 PRO A 320 41.816 -11.327 9.019 1.00 0.00 H new ATOM 0 HD3 PRO A 320 42.008 -10.414 10.503 1.00 0.00 H new ATOM 158 N GLY A 321 44.730 -8.154 6.353 1.00 0.00 N ATOM 159 CA GLY A 321 44.838 -7.859 4.937 1.00 0.00 C ATOM 160 C GLY A 321 43.589 -7.202 4.382 1.00 0.00 C ATOM 161 O GLY A 321 43.226 -7.420 3.226 1.00 0.00 O ATOM 0 H GLY A 321 45.003 -7.391 6.972 1.00 0.00 H new ATOM 0 HA2 GLY A 321 45.693 -7.204 4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 321 45.032 -8.782 4.391 1.00 0.00 H new ATOM 165 N ARG A 322 42.928 -6.397 5.208 1.00 0.00 N ATOM 166 CA ARG A 322 41.714 -5.706 4.793 1.00 0.00 C ATOM 167 C ARG A 322 41.861 -4.197 4.957 1.00 0.00 C ATOM 168 O ARG A 322 42.035 -3.697 6.069 1.00 0.00 O ATOM 169 CB ARG A 322 40.516 -6.204 5.604 1.00 0.00 C ATOM 170 CG ARG A 322 39.796 -7.382 4.968 1.00 0.00 C ATOM 171 CD ARG A 322 40.232 -8.701 5.585 1.00 0.00 C ATOM 172 NE ARG A 322 39.366 -9.806 5.185 1.00 0.00 N ATOM 173 CZ ARG A 322 39.566 -11.072 5.544 1.00 0.00 C ATOM 174 NH1 ARG A 322 40.600 -11.396 6.311 1.00 0.00 N ATOM 175 NH2 ARG A 322 38.730 -12.016 5.136 1.00 0.00 N ATOM 0 H ARG A 322 43.213 -6.208 6.169 1.00 0.00 H new ATOM 0 HA ARG A 322 41.546 -5.923 3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 322 40.856 -6.491 6.599 1.00 0.00 H new ATOM 0 HB3 ARG A 322 39.809 -5.384 5.733 1.00 0.00 H new ATOM 0 HG2 ARG A 322 38.720 -7.261 5.090 1.00 0.00 H new ATOM 0 HG3 ARG A 322 39.996 -7.397 3.897 1.00 0.00 H new ATOM 0 HD2 ARG A 322 41.258 -8.919 5.287 1.00 0.00 H new ATOM 0 HD3 ARG A 322 40.227 -8.612 6.671 1.00 0.00 H new ATOM 0 HE ARG A 322 38.560 -9.596 4.596 1.00 0.00 H new ATOM 0 HH11 ARG A 322 41.246 -10.673 6.628 1.00 0.00 H new ATOM 0 HH12 ARG A 322 40.748 -12.368 6.583 1.00 0.00 H new ATOM 0 HH21 ARG A 322 37.934 -11.772 4.547 1.00 0.00 H new ATOM 0 HH22 ARG A 322 38.883 -12.986 5.411 1.00 0.00 H new ATOM 189 N ALA A 323 41.790 -3.477 3.843 1.00 0.00 N ATOM 190 CA ALA A 323 41.915 -2.024 3.863 1.00 0.00 C ATOM 191 C ALA A 323 40.584 -1.355 3.539 1.00 0.00 C ATOM 192 O ALA A 323 39.631 -2.015 3.125 1.00 0.00 O ATOM 193 CB ALA A 323 42.988 -1.573 2.884 1.00 0.00 C ATOM 0 H ALA A 323 41.647 -3.875 2.915 1.00 0.00 H new ATOM 0 HA ALA A 323 42.208 -1.722 4.869 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.070 -0.486 2.910 1.00 0.00 H new ATOM 0 HB2 ALA A 323 43.944 -2.016 3.163 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.720 -1.893 1.877 1.00 0.00 H new ATOM 199 N PHE A 324 40.527 -0.041 3.730 1.00 0.00 N ATOM 200 CA PHE A 324 39.311 0.718 3.457 1.00 0.00 C ATOM 201 C PHE A 324 39.391 1.403 2.098 1.00 0.00 C ATOM 202 O PHE A 324 40.432 1.944 1.725 1.00 0.00 O ATOM 203 CB PHE A 324 39.077 1.757 4.555 1.00 0.00 C ATOM 204 CG PHE A 324 38.931 1.160 5.927 1.00 0.00 C ATOM 205 CD1 PHE A 324 38.163 0.023 6.125 1.00 0.00 C ATOM 206 CD2 PHE A 324 39.562 1.737 7.017 1.00 0.00 C ATOM 207 CE1 PHE A 324 38.028 -0.526 7.385 1.00 0.00 C ATOM 208 CE2 PHE A 324 39.430 1.191 8.280 1.00 0.00 C ATOM 209 CZ PHE A 324 38.663 0.057 8.464 1.00 0.00 C ATOM 0 H PHE A 324 41.307 0.520 4.072 1.00 0.00 H new ATOM 0 HA PHE A 324 38.473 0.022 3.442 1.00 0.00 H new ATOM 0 HB2 PHE A 324 39.909 2.461 4.561 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.179 2.327 4.319 1.00 0.00 H new ATOM 0 HD1 PHE A 324 37.665 -0.438 5.285 1.00 0.00 H new ATOM 0 HD2 PHE A 324 40.164 2.623 6.878 1.00 0.00 H new ATOM 0 HE1 PHE A 324 37.426 -1.411 7.527 1.00 0.00 H new ATOM 0 HE2 PHE A 324 39.926 1.651 9.122 1.00 0.00 H new ATOM 0 HZ PHE A 324 38.560 -0.373 9.449 1.00 0.00 H new ATOM 219 N VAL A 325 38.285 1.376 1.362 1.00 0.00 N ATOM 220 CA VAL A 325 38.227 1.994 0.043 1.00 0.00 C ATOM 221 C VAL A 325 36.840 2.561 -0.235 1.00 0.00 C ATOM 222 O VAL A 325 35.864 2.187 0.416 1.00 0.00 O ATOM 223 CB VAL A 325 38.590 0.987 -1.067 1.00 0.00 C ATOM 224 CG1 VAL A 325 38.789 1.700 -2.394 1.00 0.00 C ATOM 225 CG2 VAL A 325 39.834 0.196 -0.686 1.00 0.00 C ATOM 0 H VAL A 325 37.416 0.932 1.657 1.00 0.00 H new ATOM 0 HA VAL A 325 38.956 2.804 0.040 1.00 0.00 H new ATOM 0 HB VAL A 325 37.762 0.287 -1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 325 39.044 0.972 -3.164 1.00 0.00 H new ATOM 0 HG12 VAL A 325 37.869 2.214 -2.672 1.00 0.00 H new ATOM 0 HG13 VAL A 325 39.596 2.426 -2.299 1.00 0.00 H new ATOM 0 HG21 VAL A 325 40.074 -0.509 -1.481 1.00 0.00 H new ATOM 0 HG22 VAL A 325 40.670 0.880 -0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 325 39.649 -0.350 0.239 1.00 0.00 H new ATOM 235 N THR A 326 36.756 3.465 -1.205 1.00 0.00 N ATOM 236 CA THR A 326 35.487 4.080 -1.568 1.00 0.00 C ATOM 237 C THR A 326 35.399 4.305 -3.074 1.00 0.00 C ATOM 238 O THR A 326 36.417 4.457 -3.749 1.00 0.00 O ATOM 239 CB THR A 326 35.305 5.407 -0.829 1.00 0.00 C ATOM 240 OG1 THR A 326 34.258 6.166 -1.410 1.00 0.00 O ATOM 241 CG2 THR A 326 36.550 6.267 -0.826 1.00 0.00 C ATOM 0 H THR A 326 37.553 3.788 -1.754 1.00 0.00 H new ATOM 0 HA THR A 326 34.688 3.399 -1.275 1.00 0.00 H new ATOM 0 HB THR A 326 35.070 5.134 0.200 1.00 0.00 H new ATOM 0 HG1 THR A 326 34.156 7.010 -0.922 1.00 0.00 H new ATOM 0 HG21 THR A 326 36.352 7.193 -0.286 1.00 0.00 H new ATOM 0 HG22 THR A 326 37.363 5.729 -0.338 1.00 0.00 H new ATOM 0 HG23 THR A 326 36.834 6.500 -1.852 1.00 0.00 H new ATOM 249 N ILE A 327 34.176 4.325 -3.591 1.00 0.00 N ATOM 250 CA ILE A 327 33.953 4.532 -5.016 1.00 0.00 C ATOM 251 C ILE A 327 32.726 5.404 -5.259 1.00 0.00 C ATOM 252 O ILE A 327 31.734 5.313 -4.535 1.00 0.00 O ATOM 253 CB ILE A 327 33.769 3.193 -5.757 1.00 0.00 C ATOM 254 CG1 ILE A 327 34.881 2.215 -5.375 1.00 0.00 C ATOM 255 CG2 ILE A 327 33.747 3.419 -7.261 1.00 0.00 C ATOM 256 CD1 ILE A 327 34.501 1.278 -4.249 1.00 0.00 C ATOM 0 H ILE A 327 33.324 4.200 -3.044 1.00 0.00 H new ATOM 0 HA ILE A 327 34.838 5.036 -5.404 1.00 0.00 H new ATOM 0 HB ILE A 327 32.814 2.759 -5.461 1.00 0.00 H new ATOM 0 HG12 ILE A 327 35.153 1.626 -6.251 1.00 0.00 H new ATOM 0 HG13 ILE A 327 35.766 2.780 -5.084 1.00 0.00 H new ATOM 0 HG21 ILE A 327 33.616 2.464 -7.771 1.00 0.00 H new ATOM 0 HG22 ILE A 327 32.921 4.083 -7.517 1.00 0.00 H new ATOM 0 HG23 ILE A 327 34.687 3.872 -7.575 1.00 0.00 H new ATOM 0 HD11 ILE A 327 35.337 0.613 -4.031 1.00 0.00 H new ATOM 0 HD12 ILE A 327 34.258 1.858 -3.359 1.00 0.00 H new ATOM 0 HD13 ILE A 327 33.634 0.687 -4.545 1.00 0.00 H new ATOM 268 N GLY A 328 32.799 6.249 -6.282 1.00 0.00 N ATOM 269 CA GLY A 328 31.687 7.126 -6.601 1.00 0.00 C ATOM 270 C GLY A 328 32.136 8.530 -6.952 1.00 0.00 C ATOM 271 O GLY A 328 33.319 8.857 -6.842 1.00 0.00 O ATOM 0 H GLY A 328 33.608 6.342 -6.896 1.00 0.00 H new ATOM 0 HA2 GLY A 328 31.127 6.708 -7.437 1.00 0.00 H new ATOM 0 HA3 GLY A 328 31.006 7.168 -5.751 1.00 0.00 H new TER 275 GLY A 328