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= -0.0379 X(o=-0.038,f=0) USER MOD Single : A 326 THR OG1 : rot 180:sc= -0.172 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.124 5.907 -4.052 1.00 0.00 N ATOM 2 CA LYS A 312 26.912 5.688 -2.844 1.00 0.00 C ATOM 3 C LYS A 312 27.256 4.212 -2.680 1.00 0.00 C ATOM 4 O LYS A 312 26.386 3.389 -2.396 1.00 0.00 O ATOM 5 CB LYS A 312 26.149 6.186 -1.616 1.00 0.00 C ATOM 6 CG LYS A 312 25.887 7.683 -1.628 1.00 0.00 C ATOM 7 CD LYS A 312 26.969 8.444 -0.879 1.00 0.00 C ATOM 8 CE LYS A 312 26.529 9.864 -0.557 1.00 0.00 C ATOM 9 NZ LYS A 312 27.640 10.672 0.018 1.00 0.00 N ATOM 0 HA LYS A 312 27.841 6.250 -2.938 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.197 5.659 -1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 312 26.715 5.932 -0.720 1.00 0.00 H new ATOM 0 HG2 LYS A 312 25.839 8.037 -2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 312 24.917 7.887 -1.175 1.00 0.00 H new ATOM 0 HD2 LYS A 312 27.212 7.919 0.045 1.00 0.00 H new ATOM 0 HD3 LYS A 312 27.879 8.471 -1.479 1.00 0.00 H new ATOM 0 HE2 LYS A 312 26.162 10.345 -1.464 1.00 0.00 H new ATOM 0 HE3 LYS A 312 25.698 9.836 0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 27.300 11.633 0.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 27.974 10.227 0.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 28.423 10.721 -0.665 1.00 0.00 H new ATOM 23 N SER A 313 28.531 3.884 -2.859 1.00 0.00 N ATOM 24 CA SER A 313 28.992 2.506 -2.729 1.00 0.00 C ATOM 25 C SER A 313 30.419 2.462 -2.193 1.00 0.00 C ATOM 26 O SER A 313 31.348 2.957 -2.830 1.00 0.00 O ATOM 27 CB SER A 313 28.921 1.792 -4.080 1.00 0.00 C ATOM 28 OG SER A 313 28.520 0.441 -3.923 1.00 0.00 O ATOM 0 H SER A 313 29.264 4.553 -3.095 1.00 0.00 H new ATOM 0 HA SER A 313 28.339 1.995 -2.022 1.00 0.00 H new ATOM 0 HB2 SER A 313 28.218 2.310 -4.732 1.00 0.00 H new ATOM 0 HB3 SER A 313 29.895 1.831 -4.567 1.00 0.00 H new ATOM 0 HG SER A 313 28.481 0.007 -4.801 1.00 0.00 H new ATOM 34 N ILE A 314 30.585 1.867 -1.016 1.00 0.00 N ATOM 35 CA ILE A 314 31.900 1.762 -0.393 1.00 0.00 C ATOM 36 C ILE A 314 32.450 0.347 -0.499 1.00 0.00 C ATOM 37 O ILE A 314 31.702 -0.610 -0.697 1.00 0.00 O ATOM 38 CB ILE A 314 31.868 2.154 1.097 1.00 0.00 C ATOM 39 CG1 ILE A 314 30.851 3.268 1.348 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.252 2.583 1.560 1.00 0.00 C ATOM 41 CD1 ILE A 314 31.099 4.510 0.521 1.00 0.00 C ATOM 0 H ILE A 314 29.827 1.451 -0.475 1.00 0.00 H new ATOM 0 HA ILE A 314 32.544 2.455 -0.933 1.00 0.00 H new ATOM 0 HB ILE A 314 31.561 1.281 1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 314 29.851 2.891 1.132 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.870 3.535 2.405 1.00 0.00 H new ATOM 0 HG21 ILE A 314 33.214 2.857 2.614 1.00 0.00 H new ATOM 0 HG22 ILE A 314 33.953 1.759 1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.582 3.441 0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.340 5.258 0.751 1.00 0.00 H new ATOM 0 HD12 ILE A 314 32.085 4.911 0.754 1.00 0.00 H new ATOM 0 HD13 ILE A 314 31.051 4.257 -0.538 1.00 0.00 H new ATOM 53 N ARG A 315 33.762 0.224 -0.348 1.00 0.00 N ATOM 54 CA ARG A 315 34.421 -1.071 -0.407 1.00 0.00 C ATOM 55 C ARG A 315 35.487 -1.168 0.678 1.00 0.00 C ATOM 56 O ARG A 315 36.675 -0.980 0.418 1.00 0.00 O ATOM 57 CB ARG A 315 35.045 -1.292 -1.787 1.00 0.00 C ATOM 58 CG ARG A 315 34.439 -2.462 -2.547 1.00 0.00 C ATOM 59 CD ARG A 315 34.267 -2.142 -4.024 1.00 0.00 C ATOM 60 NE ARG A 315 32.871 -1.880 -4.366 1.00 0.00 N ATOM 61 CZ ARG A 315 32.475 -1.396 -5.541 1.00 0.00 C ATOM 62 NH1 ARG A 315 33.363 -1.120 -6.487 1.00 0.00 N ATOM 63 NH2 ARG A 315 31.185 -1.189 -5.771 1.00 0.00 N ATOM 0 H ARG A 315 34.392 1.009 -0.183 1.00 0.00 H new ATOM 0 HA ARG A 315 33.676 -1.848 -0.237 1.00 0.00 H new ATOM 0 HB2 ARG A 315 34.928 -0.385 -2.379 1.00 0.00 H new ATOM 0 HB3 ARG A 315 36.116 -1.460 -1.670 1.00 0.00 H new ATOM 0 HG2 ARG A 315 35.077 -3.338 -2.436 1.00 0.00 H new ATOM 0 HG3 ARG A 315 33.471 -2.716 -2.114 1.00 0.00 H new ATOM 0 HD2 ARG A 315 34.873 -1.273 -4.280 1.00 0.00 H new ATOM 0 HD3 ARG A 315 34.637 -2.975 -4.621 1.00 0.00 H new ATOM 0 HE ARG A 315 32.159 -2.080 -3.664 1.00 0.00 H new ATOM 0 HH11 ARG A 315 34.356 -1.278 -6.316 1.00 0.00 H new ATOM 0 HH12 ARG A 315 33.053 -0.749 -7.385 1.00 0.00 H new ATOM 0 HH21 ARG A 315 30.498 -1.401 -5.048 1.00 0.00 H new ATOM 0 HH22 ARG A 315 30.881 -0.818 -6.671 1.00 0.00 H new ATOM 77 N ILE A 316 35.047 -1.448 1.899 1.00 0.00 N ATOM 78 CA ILE A 316 35.953 -1.557 3.033 1.00 0.00 C ATOM 79 C ILE A 316 35.844 -2.923 3.703 1.00 0.00 C ATOM 80 O ILE A 316 34.746 -3.443 3.900 1.00 0.00 O ATOM 81 CB ILE A 316 35.671 -0.461 4.075 1.00 0.00 C ATOM 82 CG1 ILE A 316 34.166 -0.298 4.282 1.00 0.00 C ATOM 83 CG2 ILE A 316 36.294 0.857 3.639 1.00 0.00 C ATOM 84 CD1 ILE A 316 33.821 0.606 5.440 1.00 0.00 C ATOM 0 H ILE A 316 34.065 -1.604 2.128 1.00 0.00 H new ATOM 0 HA ILE A 316 36.964 -1.432 2.644 1.00 0.00 H new ATOM 0 HB ILE A 316 36.120 -0.759 5.023 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.722 0.103 3.371 1.00 0.00 H new ATOM 0 HG13 ILE A 316 33.720 -1.279 4.449 1.00 0.00 H new ATOM 0 HG21 ILE A 316 36.086 1.623 4.386 1.00 0.00 H new ATOM 0 HG22 ILE A 316 37.372 0.734 3.536 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.871 1.160 2.681 1.00 0.00 H new ATOM 0 HD11 ILE A 316 32.738 0.680 5.534 1.00 0.00 H new ATOM 0 HD12 ILE A 316 34.237 0.194 6.359 1.00 0.00 H new ATOM 0 HD13 ILE A 316 34.239 1.597 5.265 1.00 0.00 H new ATOM 96 N GLN A 317 36.991 -3.497 4.051 1.00 0.00 N ATOM 97 CA GLN A 317 37.027 -4.803 4.700 1.00 0.00 C ATOM 98 C GLN A 317 37.989 -4.795 5.883 1.00 0.00 C ATOM 99 O GLN A 317 38.976 -4.059 5.888 1.00 0.00 O ATOM 100 CB GLN A 317 37.441 -5.882 3.698 1.00 0.00 C ATOM 101 CG GLN A 317 36.530 -5.967 2.484 1.00 0.00 C ATOM 102 CD GLN A 317 37.294 -6.219 1.199 1.00 0.00 C ATOM 103 OE1 GLN A 317 37.147 -7.268 0.570 1.00 0.00 O ATOM 104 NE2 GLN A 317 38.119 -5.256 0.802 1.00 0.00 N ATOM 0 H GLN A 317 37.908 -3.079 3.895 1.00 0.00 H new ATOM 0 HA GLN A 317 36.026 -5.026 5.070 1.00 0.00 H new ATOM 0 HB2 GLN A 317 38.460 -5.684 3.364 1.00 0.00 H new ATOM 0 HB3 GLN A 317 37.452 -6.849 4.202 1.00 0.00 H new ATOM 0 HG2 GLN A 317 35.805 -6.767 2.634 1.00 0.00 H new ATOM 0 HG3 GLN A 317 35.966 -5.039 2.391 1.00 0.00 H new ATOM 0 HE21 GLN A 317 38.210 -4.403 1.354 1.00 0.00 H new ATOM 0 HE22 GLN A 317 38.661 -5.370 -0.054 1.00 0.00 H new ATOM 113 N ARG A 318 37.695 -5.618 6.884 1.00 0.00 N ATOM 114 CA ARG A 318 38.535 -5.705 8.073 1.00 0.00 C ATOM 115 C ARG A 318 39.366 -6.984 8.063 1.00 0.00 C ATOM 116 O ARG A 318 39.033 -7.946 7.371 1.00 0.00 O ATOM 117 CB ARG A 318 37.674 -5.654 9.336 1.00 0.00 C ATOM 118 CG ARG A 318 36.603 -4.574 9.300 1.00 0.00 C ATOM 119 CD ARG A 318 35.207 -5.170 9.194 1.00 0.00 C ATOM 120 NE ARG A 318 34.638 -4.995 7.859 1.00 0.00 N ATOM 121 CZ ARG A 318 34.091 -3.859 7.429 1.00 0.00 C ATOM 122 NH1 ARG A 318 34.041 -2.797 8.222 1.00 0.00 N ATOM 123 NH2 ARG A 318 33.596 -3.786 6.201 1.00 0.00 N ATOM 0 H ARG A 318 36.882 -6.234 6.896 1.00 0.00 H new ATOM 0 HA ARG A 318 39.214 -4.853 8.068 1.00 0.00 H new ATOM 0 HB2 ARG A 318 37.196 -6.623 9.479 1.00 0.00 H new ATOM 0 HB3 ARG A 318 38.319 -5.486 10.199 1.00 0.00 H new ATOM 0 HG2 ARG A 318 36.671 -3.964 10.201 1.00 0.00 H new ATOM 0 HG3 ARG A 318 36.782 -3.912 8.452 1.00 0.00 H new ATOM 0 HD2 ARG A 318 35.247 -6.232 9.435 1.00 0.00 H new ATOM 0 HD3 ARG A 318 34.555 -4.700 9.931 1.00 0.00 H new ATOM 0 HE ARG A 318 34.661 -5.789 7.219 1.00 0.00 H new ATOM 0 HH11 ARG A 318 34.423 -2.847 9.167 1.00 0.00 H new ATOM 0 HH12 ARG A 318 33.621 -1.930 7.887 1.00 0.00 H new ATOM 0 HH21 ARG A 318 33.634 -4.599 5.587 1.00 0.00 H new ATOM 0 HH22 ARG A 318 33.177 -2.917 5.871 1.00 0.00 H new ATOM 137 N GLY A 319 40.449 -6.987 8.833 1.00 0.00 N ATOM 138 CA GLY A 319 41.310 -8.152 8.899 1.00 0.00 C ATOM 139 C GLY A 319 42.769 -7.811 8.651 1.00 0.00 C ATOM 140 O GLY A 319 43.071 -6.935 7.841 1.00 0.00 O ATOM 0 H GLY A 319 40.746 -6.202 9.413 1.00 0.00 H new ATOM 0 HA2 GLY A 319 41.211 -8.618 9.879 1.00 0.00 H new ATOM 0 HA3 GLY A 319 40.981 -8.885 8.162 1.00 0.00 H new ATOM 144 N PRO A 320 43.705 -8.492 9.337 1.00 0.00 N ATOM 145 CA PRO A 320 45.141 -8.242 9.172 1.00 0.00 C ATOM 146 C PRO A 320 45.577 -8.327 7.714 1.00 0.00 C ATOM 147 O PRO A 320 45.830 -9.413 7.193 1.00 0.00 O ATOM 148 CB PRO A 320 45.796 -9.356 9.992 1.00 0.00 C ATOM 149 CG PRO A 320 44.769 -9.742 10.998 1.00 0.00 C ATOM 150 CD PRO A 320 43.439 -9.555 10.323 1.00 0.00 C ATOM 0 HA PRO A 320 45.419 -7.239 9.496 1.00 0.00 H new ATOM 0 HB2 PRO A 320 46.070 -10.202 9.362 1.00 0.00 H new ATOM 0 HB3 PRO A 320 46.710 -9.008 10.473 1.00 0.00 H new ATOM 0 HG2 PRO A 320 44.903 -10.776 11.316 1.00 0.00 H new ATOM 0 HG3 PRO A 320 44.844 -9.121 11.891 1.00 0.00 H new ATOM 0 HD2 PRO A 320 43.099 -10.473 9.843 1.00 0.00 H new ATOM 0 HD3 PRO A 320 42.666 -9.261 11.033 1.00 0.00 H new ATOM 158 N GLY A 321 45.663 -7.172 7.059 1.00 0.00 N ATOM 159 CA GLY A 321 46.069 -7.137 5.666 1.00 0.00 C ATOM 160 C GLY A 321 44.945 -6.706 4.746 1.00 0.00 C ATOM 161 O GLY A 321 44.918 -7.077 3.572 1.00 0.00 O ATOM 0 H GLY A 321 45.459 -6.261 7.469 1.00 0.00 H new ATOM 0 HA2 GLY A 321 46.910 -6.453 5.553 1.00 0.00 H new ATOM 0 HA3 GLY A 321 46.420 -8.125 5.368 1.00 0.00 H new ATOM 165 N ARG A 322 44.014 -5.921 5.278 1.00 0.00 N ATOM 166 CA ARG A 322 42.882 -5.437 4.497 1.00 0.00 C ATOM 167 C ARG A 322 42.950 -3.923 4.323 1.00 0.00 C ATOM 168 O ARG A 322 43.374 -3.202 5.227 1.00 0.00 O ATOM 169 CB ARG A 322 41.565 -5.831 5.172 1.00 0.00 C ATOM 170 CG ARG A 322 40.799 -6.910 4.426 1.00 0.00 C ATOM 171 CD ARG A 322 41.344 -8.295 4.736 1.00 0.00 C ATOM 172 NE ARG A 322 40.734 -9.323 3.898 1.00 0.00 N ATOM 173 CZ ARG A 322 39.506 -9.801 4.086 1.00 0.00 C ATOM 174 NH1 ARG A 322 38.755 -9.347 5.082 1.00 0.00 N ATOM 175 NH2 ARG A 322 39.026 -10.735 3.276 1.00 0.00 N ATOM 0 H ARG A 322 44.021 -5.606 6.248 1.00 0.00 H new ATOM 0 HA ARG A 322 42.927 -5.898 3.510 1.00 0.00 H new ATOM 0 HB2 ARG A 322 41.775 -6.179 6.183 1.00 0.00 H new ATOM 0 HB3 ARG A 322 40.934 -4.947 5.264 1.00 0.00 H new ATOM 0 HG2 ARG A 322 39.745 -6.863 4.698 1.00 0.00 H new ATOM 0 HG3 ARG A 322 40.860 -6.725 3.353 1.00 0.00 H new ATOM 0 HD2 ARG A 322 42.424 -8.301 4.589 1.00 0.00 H new ATOM 0 HD3 ARG A 322 41.164 -8.529 5.785 1.00 0.00 H new ATOM 0 HE ARG A 322 41.281 -9.697 3.123 1.00 0.00 H new ATOM 0 HH11 ARG A 322 39.118 -8.628 5.708 1.00 0.00 H new ATOM 0 HH12 ARG A 322 37.815 -9.717 5.221 1.00 0.00 H new ATOM 0 HH21 ARG A 322 39.598 -11.087 2.508 1.00 0.00 H new ATOM 0 HH22 ARG A 322 38.085 -11.101 3.421 1.00 0.00 H new ATOM 189 N ALA A 323 42.530 -3.446 3.155 1.00 0.00 N ATOM 190 CA ALA A 323 42.544 -2.019 2.864 1.00 0.00 C ATOM 191 C ALA A 323 41.130 -1.449 2.839 1.00 0.00 C ATOM 192 O ALA A 323 40.166 -2.166 2.573 1.00 0.00 O ATOM 193 CB ALA A 323 43.243 -1.759 1.538 1.00 0.00 C ATOM 0 H ALA A 323 42.176 -4.028 2.396 1.00 0.00 H new ATOM 0 HA ALA A 323 43.095 -1.517 3.659 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.247 -0.689 1.332 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.269 -2.122 1.591 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.714 -2.280 0.740 1.00 0.00 H new ATOM 199 N PHE A 324 41.014 -0.154 3.117 1.00 0.00 N ATOM 200 CA PHE A 324 39.717 0.512 3.127 1.00 0.00 C ATOM 201 C PHE A 324 39.554 1.399 1.895 1.00 0.00 C ATOM 202 O PHE A 324 40.274 2.382 1.726 1.00 0.00 O ATOM 203 CB PHE A 324 39.560 1.350 4.397 1.00 0.00 C ATOM 204 CG PHE A 324 39.132 0.551 5.596 1.00 0.00 C ATOM 205 CD1 PHE A 324 39.720 -0.673 5.874 1.00 0.00 C ATOM 206 CD2 PHE A 324 38.144 1.024 6.444 1.00 0.00 C ATOM 207 CE1 PHE A 324 39.329 -1.410 6.976 1.00 0.00 C ATOM 208 CE2 PHE A 324 37.749 0.292 7.548 1.00 0.00 C ATOM 209 CZ PHE A 324 38.342 -0.927 7.814 1.00 0.00 C ATOM 0 H PHE A 324 41.802 0.454 3.338 1.00 0.00 H new ATOM 0 HA PHE A 324 38.942 -0.254 3.108 1.00 0.00 H new ATOM 0 HB2 PHE A 324 40.508 1.841 4.618 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.828 2.137 4.215 1.00 0.00 H new ATOM 0 HD1 PHE A 324 40.492 -1.055 5.222 1.00 0.00 H new ATOM 0 HD2 PHE A 324 37.677 1.976 6.240 1.00 0.00 H new ATOM 0 HE1 PHE A 324 39.794 -2.363 7.182 1.00 0.00 H new ATOM 0 HE2 PHE A 324 36.978 0.672 8.202 1.00 0.00 H new ATOM 0 HZ PHE A 324 38.035 -1.502 8.675 1.00 0.00 H new ATOM 219 N VAL A 325 38.602 1.043 1.038 1.00 0.00 N ATOM 220 CA VAL A 325 38.345 1.805 -0.178 1.00 0.00 C ATOM 221 C VAL A 325 36.907 2.312 -0.213 1.00 0.00 C ATOM 222 O VAL A 325 36.035 1.783 0.476 1.00 0.00 O ATOM 223 CB VAL A 325 38.611 0.958 -1.438 1.00 0.00 C ATOM 224 CG1 VAL A 325 38.493 1.809 -2.693 1.00 0.00 C ATOM 225 CG2 VAL A 325 39.981 0.300 -1.361 1.00 0.00 C ATOM 0 H VAL A 325 37.996 0.232 1.164 1.00 0.00 H new ATOM 0 HA VAL A 325 39.027 2.655 -0.171 1.00 0.00 H new ATOM 0 HB VAL A 325 37.857 0.173 -1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 325 38.685 1.192 -3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 325 37.488 2.227 -2.756 1.00 0.00 H new ATOM 0 HG13 VAL A 325 39.221 2.619 -2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 325 40.151 -0.294 -2.259 1.00 0.00 H new ATOM 0 HG22 VAL A 325 40.750 1.069 -1.283 1.00 0.00 H new ATOM 0 HG23 VAL A 325 40.025 -0.347 -0.485 1.00 0.00 H new ATOM 235 N THR A 326 36.666 3.340 -1.021 1.00 0.00 N ATOM 236 CA THR A 326 35.335 3.917 -1.145 1.00 0.00 C ATOM 237 C THR A 326 35.078 4.390 -2.572 1.00 0.00 C ATOM 238 O THR A 326 36.013 4.667 -3.324 1.00 0.00 O ATOM 239 CB THR A 326 35.168 5.084 -0.171 1.00 0.00 C ATOM 240 OG1 THR A 326 34.002 5.829 -0.476 1.00 0.00 O ATOM 241 CG2 THR A 326 36.340 6.042 -0.178 1.00 0.00 C ATOM 0 H THR A 326 37.376 3.789 -1.599 1.00 0.00 H new ATOM 0 HA THR A 326 34.607 3.143 -0.901 1.00 0.00 H new ATOM 0 HB THR A 326 35.098 4.628 0.817 1.00 0.00 H new ATOM 0 HG1 THR A 326 33.912 6.570 0.159 1.00 0.00 H new ATOM 0 HG21 THR A 326 36.157 6.846 0.535 1.00 0.00 H new ATOM 0 HG22 THR A 326 37.248 5.508 0.102 1.00 0.00 H new ATOM 0 HG23 THR A 326 36.460 6.463 -1.176 1.00 0.00 H new ATOM 249 N ILE A 327 33.803 4.480 -2.940 1.00 0.00 N ATOM 250 CA ILE A 327 33.422 4.919 -4.276 1.00 0.00 C ATOM 251 C ILE A 327 32.194 5.821 -4.231 1.00 0.00 C ATOM 252 O ILE A 327 31.230 5.540 -3.519 1.00 0.00 O ATOM 253 CB ILE A 327 33.129 3.721 -5.200 1.00 0.00 C ATOM 254 CG1 ILE A 327 34.251 2.685 -5.102 1.00 0.00 C ATOM 255 CG2 ILE A 327 32.958 4.190 -6.637 1.00 0.00 C ATOM 256 CD1 ILE A 327 33.943 1.549 -4.151 1.00 0.00 C ATOM 0 H ILE A 327 33.017 4.254 -2.330 1.00 0.00 H new ATOM 0 HA ILE A 327 34.267 5.480 -4.675 1.00 0.00 H new ATOM 0 HB ILE A 327 32.199 3.252 -4.878 1.00 0.00 H new ATOM 0 HG12 ILE A 327 34.444 2.276 -6.094 1.00 0.00 H new ATOM 0 HG13 ILE A 327 35.166 3.181 -4.778 1.00 0.00 H new ATOM 0 HG21 ILE A 327 32.752 3.333 -7.277 1.00 0.00 H new ATOM 0 HG22 ILE A 327 32.127 4.894 -6.694 1.00 0.00 H new ATOM 0 HG23 ILE A 327 33.872 4.680 -6.971 1.00 0.00 H new ATOM 0 HD11 ILE A 327 34.782 0.853 -4.132 1.00 0.00 H new ATOM 0 HD12 ILE A 327 33.779 1.947 -3.150 1.00 0.00 H new ATOM 0 HD13 ILE A 327 33.046 1.027 -4.486 1.00 0.00 H new ATOM 268 N GLY A 328 32.236 6.908 -4.996 1.00 0.00 N ATOM 269 CA GLY A 328 31.121 7.836 -5.028 1.00 0.00 C ATOM 270 C GLY A 328 30.948 8.487 -6.387 1.00 0.00 C ATOM 271 O GLY A 328 31.901 8.585 -7.160 1.00 0.00 O ATOM 0 H GLY A 328 33.022 7.162 -5.594 1.00 0.00 H new ATOM 0 HA2 GLY A 328 30.205 7.308 -4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 328 31.274 8.609 -4.275 1.00 0.00 H new TER 275 GLY A 328