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= -1.72 X(o=-1.7,f=-2) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.621 5.438 -5.078 1.00 0.00 N ATOM 2 CA LYS A 312 27.298 5.438 -3.786 1.00 0.00 C ATOM 3 C LYS A 312 27.517 4.014 -3.286 1.00 0.00 C ATOM 4 O LYS A 312 26.568 3.323 -2.916 1.00 0.00 O ATOM 5 CB LYS A 312 26.484 6.232 -2.761 1.00 0.00 C ATOM 6 CG LYS A 312 26.384 7.715 -3.080 1.00 0.00 C ATOM 7 CD LYS A 312 27.517 8.502 -2.439 1.00 0.00 C ATOM 8 CE LYS A 312 27.048 9.250 -1.202 1.00 0.00 C ATOM 9 NZ LYS A 312 27.648 10.610 -1.115 1.00 0.00 N ATOM 0 HA LYS A 312 28.271 5.912 -3.913 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.480 5.813 -2.704 1.00 0.00 H new ATOM 0 HB3 LYS A 312 26.937 6.110 -1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 312 26.406 7.858 -4.160 1.00 0.00 H new ATOM 0 HG3 LYS A 312 25.427 8.100 -2.727 1.00 0.00 H new ATOM 0 HD2 LYS A 312 28.326 7.823 -2.169 1.00 0.00 H new ATOM 0 HD3 LYS A 312 27.923 9.210 -3.161 1.00 0.00 H new ATOM 0 HE2 LYS A 312 25.961 9.333 -1.218 1.00 0.00 H new ATOM 0 HE3 LYS A 312 27.311 8.679 -0.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 27.303 11.087 -0.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 28.684 10.530 -1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 27.376 11.164 -1.953 1.00 0.00 H new ATOM 23 N SER A 313 28.774 3.584 -3.279 1.00 0.00 N ATOM 24 CA SER A 313 29.121 2.242 -2.824 1.00 0.00 C ATOM 25 C SER A 313 30.511 2.225 -2.199 1.00 0.00 C ATOM 26 O SER A 313 31.512 2.441 -2.882 1.00 0.00 O ATOM 27 CB SER A 313 29.060 1.255 -3.991 1.00 0.00 C ATOM 28 OG SER A 313 28.769 -0.056 -3.535 1.00 0.00 O ATOM 0 H SER A 313 29.570 4.145 -3.583 1.00 0.00 H new ATOM 0 HA SER A 313 28.398 1.942 -2.066 1.00 0.00 H new ATOM 0 HB2 SER A 313 28.298 1.574 -4.702 1.00 0.00 H new ATOM 0 HB3 SER A 313 30.012 1.256 -4.522 1.00 0.00 H new ATOM 0 HG SER A 313 28.734 -0.668 -4.300 1.00 0.00 H new ATOM 34 N ILE A 314 30.566 1.968 -0.896 1.00 0.00 N ATOM 35 CA ILE A 314 31.836 1.924 -0.179 1.00 0.00 C ATOM 36 C ILE A 314 32.303 0.490 0.020 1.00 0.00 C ATOM 37 O ILE A 314 31.512 -0.449 -0.047 1.00 0.00 O ATOM 38 CB ILE A 314 31.743 2.599 1.205 1.00 0.00 C ATOM 39 CG1 ILE A 314 30.713 3.731 1.195 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.107 3.123 1.628 1.00 0.00 C ATOM 41 CD1 ILE A 314 31.093 4.886 0.294 1.00 0.00 C ATOM 0 H ILE A 314 29.747 1.787 -0.315 1.00 0.00 H new ATOM 0 HA ILE A 314 32.552 2.469 -0.795 1.00 0.00 H new ATOM 0 HB ILE A 314 31.415 1.852 1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 314 29.750 3.333 0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.582 4.102 2.212 1.00 0.00 H new ATOM 0 HG21 ILE A 314 33.027 3.597 2.606 1.00 0.00 H new ATOM 0 HG22 ILE A 314 33.814 2.295 1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.459 3.853 0.899 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.318 5.651 0.337 1.00 0.00 H new ATOM 0 HD12 ILE A 314 32.040 5.310 0.627 1.00 0.00 H new ATOM 0 HD13 ILE A 314 31.195 4.530 -0.731 1.00 0.00 H new ATOM 53 N ARG A 315 33.595 0.332 0.281 1.00 0.00 N ATOM 54 CA ARG A 315 34.169 -0.987 0.506 1.00 0.00 C ATOM 55 C ARG A 315 35.071 -0.972 1.736 1.00 0.00 C ATOM 56 O ARG A 315 36.295 -0.890 1.623 1.00 0.00 O ATOM 57 CB ARG A 315 34.955 -1.446 -0.725 1.00 0.00 C ATOM 58 CG ARG A 315 34.359 -2.668 -1.404 1.00 0.00 C ATOM 59 CD ARG A 315 34.946 -3.956 -0.851 1.00 0.00 C ATOM 60 NE ARG A 315 33.909 -4.932 -0.518 1.00 0.00 N ATOM 61 CZ ARG A 315 33.302 -5.705 -1.415 1.00 0.00 C ATOM 62 NH1 ARG A 315 33.621 -5.618 -2.701 1.00 0.00 N ATOM 63 NH2 ARG A 315 32.373 -6.568 -1.026 1.00 0.00 N ATOM 0 H ARG A 315 34.263 1.100 0.342 1.00 0.00 H new ATOM 0 HA ARG A 315 33.356 -1.692 0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 315 35.001 -0.627 -1.443 1.00 0.00 H new ATOM 0 HB3 ARG A 315 35.980 -1.668 -0.429 1.00 0.00 H new ATOM 0 HG2 ARG A 315 33.278 -2.671 -1.265 1.00 0.00 H new ATOM 0 HG3 ARG A 315 34.543 -2.615 -2.477 1.00 0.00 H new ATOM 0 HD2 ARG A 315 35.628 -4.387 -1.584 1.00 0.00 H new ATOM 0 HD3 ARG A 315 35.534 -3.734 0.040 1.00 0.00 H new ATOM 0 HE ARG A 315 33.635 -5.026 0.460 1.00 0.00 H new ATOM 0 HH11 ARG A 315 34.335 -4.956 -3.006 1.00 0.00 H new ATOM 0 HH12 ARG A 315 33.152 -6.213 -3.384 1.00 0.00 H new ATOM 0 HH21 ARG A 315 32.124 -6.639 -0.039 1.00 0.00 H new ATOM 0 HH22 ARG A 315 31.908 -7.161 -1.713 1.00 0.00 H new ATOM 77 N ILE A 316 34.456 -1.047 2.910 1.00 0.00 N ATOM 78 CA ILE A 316 35.195 -1.039 4.166 1.00 0.00 C ATOM 79 C ILE A 316 35.037 -2.361 4.909 1.00 0.00 C ATOM 80 O ILE A 316 33.946 -2.700 5.368 1.00 0.00 O ATOM 81 CB ILE A 316 34.739 0.110 5.085 1.00 0.00 C ATOM 82 CG1 ILE A 316 33.232 0.338 4.959 1.00 0.00 C ATOM 83 CG2 ILE A 316 35.500 1.386 4.753 1.00 0.00 C ATOM 84 CD1 ILE A 316 32.721 1.444 5.850 1.00 0.00 C ATOM 0 H ILE A 316 33.444 -1.114 3.018 1.00 0.00 H new ATOM 0 HA ILE A 316 36.244 -0.893 3.909 1.00 0.00 H new ATOM 0 HB ILE A 316 34.957 -0.167 6.116 1.00 0.00 H new ATOM 0 HG12 ILE A 316 32.992 0.575 3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 316 32.710 -0.587 5.203 1.00 0.00 H new ATOM 0 HG21 ILE A 316 35.167 2.189 5.410 1.00 0.00 H new ATOM 0 HG22 ILE A 316 36.568 1.220 4.895 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.310 1.663 3.716 1.00 0.00 H new ATOM 0 HD11 ILE A 316 31.645 1.554 5.712 1.00 0.00 H new ATOM 0 HD12 ILE A 316 32.930 1.199 6.891 1.00 0.00 H new ATOM 0 HD13 ILE A 316 33.218 2.379 5.591 1.00 0.00 H new ATOM 96 N GLN A 317 36.133 -3.104 5.022 1.00 0.00 N ATOM 97 CA GLN A 317 36.116 -4.392 5.709 1.00 0.00 C ATOM 98 C GLN A 317 37.312 -4.518 6.649 1.00 0.00 C ATOM 99 O GLN A 317 38.319 -3.832 6.484 1.00 0.00 O ATOM 100 CB GLN A 317 36.117 -5.552 4.702 1.00 0.00 C ATOM 101 CG GLN A 317 36.079 -5.114 3.245 1.00 0.00 C ATOM 102 CD GLN A 317 37.359 -4.430 2.807 1.00 0.00 C ATOM 103 OE1 GLN A 317 37.331 -3.335 2.244 1.00 0.00 O ATOM 104 NE2 GLN A 317 38.492 -5.073 3.066 1.00 0.00 N ATOM 0 H GLN A 317 37.044 -2.837 4.647 1.00 0.00 H new ATOM 0 HA GLN A 317 35.199 -4.443 6.297 1.00 0.00 H new ATOM 0 HB2 GLN A 317 37.008 -6.158 4.864 1.00 0.00 H new ATOM 0 HB3 GLN A 317 35.256 -6.191 4.900 1.00 0.00 H new ATOM 0 HG2 GLN A 317 35.902 -5.984 2.613 1.00 0.00 H new ATOM 0 HG3 GLN A 317 35.239 -4.435 3.096 1.00 0.00 H new ATOM 0 HE21 GLN A 317 38.469 -5.979 3.535 1.00 0.00 H new ATOM 0 HE22 GLN A 317 39.385 -4.661 2.796 1.00 0.00 H new ATOM 113 N ARG A 318 37.191 -5.400 7.637 1.00 0.00 N ATOM 114 CA ARG A 318 38.261 -5.615 8.604 1.00 0.00 C ATOM 115 C ARG A 318 39.187 -6.739 8.150 1.00 0.00 C ATOM 116 O ARG A 318 38.902 -7.437 7.177 1.00 0.00 O ATOM 117 CB ARG A 318 37.678 -5.947 9.980 1.00 0.00 C ATOM 118 CG ARG A 318 36.475 -5.094 10.354 1.00 0.00 C ATOM 119 CD ARG A 318 35.167 -5.838 10.128 1.00 0.00 C ATOM 120 NE ARG A 318 34.289 -5.131 9.198 1.00 0.00 N ATOM 121 CZ ARG A 318 33.531 -4.091 9.540 1.00 0.00 C ATOM 122 NH1 ARG A 318 33.540 -3.636 10.786 1.00 0.00 N ATOM 123 NH2 ARG A 318 32.763 -3.507 8.632 1.00 0.00 N ATOM 0 H ARG A 318 36.363 -5.977 7.788 1.00 0.00 H new ATOM 0 HA ARG A 318 38.841 -4.695 8.675 1.00 0.00 H new ATOM 0 HB2 ARG A 318 37.388 -6.997 9.998 1.00 0.00 H new ATOM 0 HB3 ARG A 318 38.454 -5.817 10.735 1.00 0.00 H new ATOM 0 HG2 ARG A 318 36.550 -4.798 11.400 1.00 0.00 H new ATOM 0 HG3 ARG A 318 36.480 -4.178 9.763 1.00 0.00 H new ATOM 0 HD2 ARG A 318 35.379 -6.834 9.740 1.00 0.00 H new ATOM 0 HD3 ARG A 318 34.655 -5.969 11.081 1.00 0.00 H new ATOM 0 HE ARG A 318 34.255 -5.453 8.231 1.00 0.00 H new ATOM 0 HH11 ARG A 318 34.130 -4.083 11.488 1.00 0.00 H new ATOM 0 HH12 ARG A 318 32.957 -2.839 11.042 1.00 0.00 H new ATOM 0 HH21 ARG A 318 32.753 -3.854 7.673 1.00 0.00 H new ATOM 0 HH22 ARG A 318 32.182 -2.710 8.892 1.00 0.00 H new ATOM 137 N GLY A 319 40.297 -6.908 8.862 1.00 0.00 N ATOM 138 CA GLY A 319 41.247 -7.948 8.518 1.00 0.00 C ATOM 139 C GLY A 319 42.685 -7.526 8.764 1.00 0.00 C ATOM 140 O GLY A 319 43.031 -6.361 8.570 1.00 0.00 O ATOM 0 H GLY A 319 40.555 -6.343 9.671 1.00 0.00 H new ATOM 0 HA2 GLY A 319 41.029 -8.842 9.102 1.00 0.00 H new ATOM 0 HA3 GLY A 319 41.124 -8.215 7.468 1.00 0.00 H new ATOM 144 N PRO A 320 43.555 -8.458 9.194 1.00 0.00 N ATOM 145 CA PRO A 320 44.965 -8.158 9.463 1.00 0.00 C ATOM 146 C PRO A 320 45.652 -7.498 8.272 1.00 0.00 C ATOM 147 O PRO A 320 46.163 -8.177 7.382 1.00 0.00 O ATOM 148 CB PRO A 320 45.579 -9.533 9.737 1.00 0.00 C ATOM 149 CG PRO A 320 44.439 -10.374 10.197 1.00 0.00 C ATOM 150 CD PRO A 320 43.232 -9.874 9.453 1.00 0.00 C ATOM 0 HA PRO A 320 45.080 -7.454 10.287 1.00 0.00 H new ATOM 0 HB2 PRO A 320 46.039 -9.947 8.840 1.00 0.00 H new ATOM 0 HB3 PRO A 320 46.359 -9.474 10.496 1.00 0.00 H new ATOM 0 HG2 PRO A 320 44.620 -11.428 9.984 1.00 0.00 H new ATOM 0 HG3 PRO A 320 44.298 -10.286 11.274 1.00 0.00 H new ATOM 0 HD2 PRO A 320 43.073 -10.426 8.527 1.00 0.00 H new ATOM 0 HD3 PRO A 320 42.323 -9.977 10.046 1.00 0.00 H new ATOM 158 N GLY A 321 45.661 -6.169 8.263 1.00 0.00 N ATOM 159 CA GLY A 321 46.288 -5.439 7.177 1.00 0.00 C ATOM 160 C GLY A 321 45.325 -5.144 6.044 1.00 0.00 C ATOM 161 O GLY A 321 45.674 -5.289 4.872 1.00 0.00 O ATOM 0 H GLY A 321 45.245 -5.585 8.988 1.00 0.00 H new ATOM 0 HA2 GLY A 321 46.692 -4.502 7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 321 47.129 -6.016 6.794 1.00 0.00 H new ATOM 165 N ARG A 322 44.111 -4.731 6.394 1.00 0.00 N ATOM 166 CA ARG A 322 43.095 -4.416 5.396 1.00 0.00 C ATOM 167 C ARG A 322 43.051 -2.915 5.122 1.00 0.00 C ATOM 168 O ARG A 322 43.430 -2.108 5.971 1.00 0.00 O ATOM 169 CB ARG A 322 41.723 -4.907 5.863 1.00 0.00 C ATOM 170 CG ARG A 322 41.012 -5.781 4.843 1.00 0.00 C ATOM 171 CD ARG A 322 41.646 -7.160 4.752 1.00 0.00 C ATOM 172 NE ARG A 322 42.586 -7.257 3.639 1.00 0.00 N ATOM 173 CZ ARG A 322 42.221 -7.443 2.372 1.00 0.00 C ATOM 174 NH1 ARG A 322 40.936 -7.547 2.053 1.00 0.00 N ATOM 175 NH2 ARG A 322 43.140 -7.522 1.421 1.00 0.00 N ATOM 0 H ARG A 322 43.807 -4.607 7.360 1.00 0.00 H new ATOM 0 HA ARG A 322 43.357 -4.927 4.469 1.00 0.00 H new ATOM 0 HB2 ARG A 322 41.843 -5.468 6.790 1.00 0.00 H new ATOM 0 HB3 ARG A 322 41.096 -4.045 6.091 1.00 0.00 H new ATOM 0 HG2 ARG A 322 39.961 -5.880 5.116 1.00 0.00 H new ATOM 0 HG3 ARG A 322 41.043 -5.300 3.865 1.00 0.00 H new ATOM 0 HD2 ARG A 322 42.164 -7.383 5.685 1.00 0.00 H new ATOM 0 HD3 ARG A 322 40.865 -7.911 4.634 1.00 0.00 H new ATOM 0 HE ARG A 322 43.582 -7.178 3.844 1.00 0.00 H new ATOM 0 HH11 ARG A 322 40.223 -7.484 2.780 1.00 0.00 H new ATOM 0 HH12 ARG A 322 40.662 -7.689 1.081 1.00 0.00 H new ATOM 0 HH21 ARG A 322 44.128 -7.440 1.659 1.00 0.00 H new ATOM 0 HH22 ARG A 322 42.859 -7.665 0.451 1.00 0.00 H new ATOM 189 N ALA A 323 42.587 -2.550 3.931 1.00 0.00 N ATOM 190 CA ALA A 323 42.494 -1.147 3.546 1.00 0.00 C ATOM 191 C ALA A 323 41.042 -0.728 3.339 1.00 0.00 C ATOM 192 O ALA A 323 40.186 -1.554 3.022 1.00 0.00 O ATOM 193 CB ALA A 323 43.302 -0.894 2.282 1.00 0.00 C ATOM 0 H ALA A 323 42.270 -3.206 3.217 1.00 0.00 H new ATOM 0 HA ALA A 323 42.906 -0.546 4.356 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.224 0.157 2.005 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.347 -1.146 2.462 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.914 -1.512 1.472 1.00 0.00 H new ATOM 199 N PHE A 324 40.773 0.560 3.522 1.00 0.00 N ATOM 200 CA PHE A 324 39.424 1.091 3.356 1.00 0.00 C ATOM 201 C PHE A 324 39.311 1.891 2.062 1.00 0.00 C ATOM 202 O PHE A 324 39.911 2.957 1.926 1.00 0.00 O ATOM 203 CB PHE A 324 39.048 1.971 4.549 1.00 0.00 C ATOM 204 CG PHE A 324 38.989 1.225 5.851 1.00 0.00 C ATOM 205 CD1 PHE A 324 38.330 0.009 5.938 1.00 0.00 C ATOM 206 CD2 PHE A 324 39.592 1.740 6.987 1.00 0.00 C ATOM 207 CE1 PHE A 324 38.274 -0.680 7.135 1.00 0.00 C ATOM 208 CE2 PHE A 324 39.538 1.056 8.187 1.00 0.00 C ATOM 209 CZ PHE A 324 38.878 -0.156 8.261 1.00 0.00 C ATOM 0 H PHE A 324 41.471 1.256 3.785 1.00 0.00 H new ATOM 0 HA PHE A 324 38.733 0.250 3.304 1.00 0.00 H new ATOM 0 HB2 PHE A 324 39.773 2.780 4.636 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.078 2.431 4.359 1.00 0.00 H new ATOM 0 HD1 PHE A 324 37.855 -0.405 5.061 1.00 0.00 H new ATOM 0 HD2 PHE A 324 40.110 2.686 6.934 1.00 0.00 H new ATOM 0 HE1 PHE A 324 37.758 -1.627 7.190 1.00 0.00 H new ATOM 0 HE2 PHE A 324 40.011 1.468 9.066 1.00 0.00 H new ATOM 0 HZ PHE A 324 38.835 -0.692 9.197 1.00 0.00 H new ATOM 219 N VAL A 325 38.538 1.370 1.115 1.00 0.00 N ATOM 220 CA VAL A 325 38.346 2.037 -0.167 1.00 0.00 C ATOM 221 C VAL A 325 36.907 2.516 -0.329 1.00 0.00 C ATOM 222 O VAL A 325 36.030 2.154 0.455 1.00 0.00 O ATOM 223 CB VAL A 325 38.698 1.104 -1.343 1.00 0.00 C ATOM 224 CG1 VAL A 325 40.206 1.001 -1.509 1.00 0.00 C ATOM 225 CG2 VAL A 325 38.079 -0.271 -1.141 1.00 0.00 C ATOM 0 H VAL A 325 38.035 0.488 1.211 1.00 0.00 H new ATOM 0 HA VAL A 325 39.016 2.897 -0.179 1.00 0.00 H new ATOM 0 HB VAL A 325 38.284 1.530 -2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 325 40.436 0.339 -2.344 1.00 0.00 H new ATOM 0 HG12 VAL A 325 40.619 1.990 -1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 325 40.646 0.600 -0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 325 38.339 -0.914 -1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 325 38.459 -0.709 -0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 325 36.995 -0.176 -1.079 1.00 0.00 H new ATOM 235 N THR A 326 36.673 3.333 -1.352 1.00 0.00 N ATOM 236 CA THR A 326 35.344 3.862 -1.618 1.00 0.00 C ATOM 237 C THR A 326 35.064 3.903 -3.117 1.00 0.00 C ATOM 238 O THR A 326 35.923 4.292 -3.909 1.00 0.00 O ATOM 239 CB THR A 326 35.199 5.264 -1.023 1.00 0.00 C ATOM 240 OG1 THR A 326 36.171 6.140 -1.563 1.00 0.00 O ATOM 241 CG2 THR A 326 35.340 5.294 0.483 1.00 0.00 C ATOM 0 H THR A 326 37.389 3.642 -2.010 1.00 0.00 H new ATOM 0 HA THR A 326 34.618 3.199 -1.148 1.00 0.00 H new ATOM 0 HB THR A 326 34.190 5.584 -1.283 1.00 0.00 H new ATOM 0 HG1 THR A 326 36.061 7.032 -1.172 1.00 0.00 H new ATOM 0 HG21 THR A 326 35.227 6.318 0.839 1.00 0.00 H new ATOM 0 HG22 THR A 326 34.571 4.666 0.933 1.00 0.00 H new ATOM 0 HG23 THR A 326 36.324 4.919 0.764 1.00 0.00 H new ATOM 249 N ILE A 327 33.857 3.499 -3.500 1.00 0.00 N ATOM 250 CA ILE A 327 33.463 3.490 -4.904 1.00 0.00 C ATOM 251 C ILE A 327 32.262 4.399 -5.143 1.00 0.00 C ATOM 252 O ILE A 327 31.451 4.622 -4.244 1.00 0.00 O ATOM 253 CB ILE A 327 33.117 2.066 -5.382 1.00 0.00 C ATOM 254 CG1 ILE A 327 34.217 1.085 -4.975 1.00 0.00 C ATOM 255 CG2 ILE A 327 32.915 2.050 -6.890 1.00 0.00 C ATOM 256 CD1 ILE A 327 33.787 -0.364 -5.041 1.00 0.00 C ATOM 0 H ILE A 327 33.135 3.174 -2.857 1.00 0.00 H new ATOM 0 HA ILE A 327 34.315 3.860 -5.474 1.00 0.00 H new ATOM 0 HB ILE A 327 32.187 1.754 -4.906 1.00 0.00 H new ATOM 0 HG12 ILE A 327 35.080 1.230 -5.624 1.00 0.00 H new ATOM 0 HG13 ILE A 327 34.540 1.314 -3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 327 32.671 1.038 -7.214 1.00 0.00 H new ATOM 0 HG22 ILE A 327 32.099 2.722 -7.155 1.00 0.00 H new ATOM 0 HG23 ILE A 327 33.830 2.378 -7.383 1.00 0.00 H new ATOM 0 HD11 ILE A 327 34.616 -1.004 -4.739 1.00 0.00 H new ATOM 0 HD12 ILE A 327 32.943 -0.524 -4.370 1.00 0.00 H new ATOM 0 HD13 ILE A 327 33.492 -0.610 -6.061 1.00 0.00 H new ATOM 268 N GLY A 328 32.154 4.921 -6.361 1.00 0.00 N ATOM 269 CA GLY A 328 31.049 5.800 -6.695 1.00 0.00 C ATOM 270 C GLY A 328 31.487 6.998 -7.513 1.00 0.00 C ATOM 271 O GLY A 328 32.671 7.335 -7.550 1.00 0.00 O ATOM 0 H GLY A 328 32.812 4.751 -7.122 1.00 0.00 H new ATOM 0 HA2 GLY A 328 30.298 5.239 -7.252 1.00 0.00 H new ATOM 0 HA3 GLY A 328 30.573 6.145 -5.777 1.00 0.00 H new