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+ 170:sc= 0 (180deg=-0.0782) USER MOD Single : A 313 SER OG : rot 32:sc= 0.073 USER MOD Single : A 317 GLN : amide:sc= -0.0878 K(o=-0.088,f=-0.61) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.491 5.469 -4.792 1.00 0.00 N ATOM 2 CA LYS A 312 27.282 5.409 -3.570 1.00 0.00 C ATOM 3 C LYS A 312 27.545 3.964 -3.160 1.00 0.00 C ATOM 4 O LYS A 312 26.630 3.246 -2.756 1.00 0.00 O ATOM 5 CB LYS A 312 26.568 6.150 -2.437 1.00 0.00 C ATOM 6 CG LYS A 312 26.771 7.656 -2.472 1.00 0.00 C ATOM 7 CD LYS A 312 28.049 8.063 -1.758 1.00 0.00 C ATOM 8 CE LYS A 312 28.167 9.574 -1.646 1.00 0.00 C ATOM 9 NZ LYS A 312 27.203 10.136 -0.661 1.00 0.00 N ATOM 0 HA LYS A 312 28.239 5.892 -3.765 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.501 5.934 -2.489 1.00 0.00 H new ATOM 0 HB3 LYS A 312 26.925 5.766 -1.481 1.00 0.00 H new ATOM 0 HG2 LYS A 312 26.808 7.995 -3.507 1.00 0.00 H new ATOM 0 HG3 LYS A 312 25.919 8.150 -2.005 1.00 0.00 H new ATOM 0 HD2 LYS A 312 28.067 7.621 -0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 312 28.910 7.669 -2.298 1.00 0.00 H new ATOM 0 HE2 LYS A 312 29.183 9.838 -1.351 1.00 0.00 H new ATOM 0 HE3 LYS A 312 27.992 10.025 -2.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 27.427 11.137 -0.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 26.237 10.057 -1.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 27.271 9.607 0.232 1.00 0.00 H new ATOM 23 N SER A 313 28.801 3.543 -3.267 1.00 0.00 N ATOM 24 CA SER A 313 29.186 2.183 -2.908 1.00 0.00 C ATOM 25 C SER A 313 30.627 2.141 -2.412 1.00 0.00 C ATOM 26 O SER A 313 31.569 2.229 -3.200 1.00 0.00 O ATOM 27 CB SER A 313 29.021 1.251 -4.110 1.00 0.00 C ATOM 28 OG SER A 313 27.739 0.645 -4.113 1.00 0.00 O ATOM 0 H SER A 313 29.570 4.125 -3.600 1.00 0.00 H new ATOM 0 HA SER A 313 28.533 1.846 -2.103 1.00 0.00 H new ATOM 0 HB2 SER A 313 29.163 1.814 -5.033 1.00 0.00 H new ATOM 0 HB3 SER A 313 29.791 0.480 -4.085 1.00 0.00 H new ATOM 0 HG SER A 313 27.087 1.257 -3.712 1.00 0.00 H new ATOM 34 N ILE A 314 30.794 2.007 -1.100 1.00 0.00 N ATOM 35 CA ILE A 314 32.122 1.954 -0.500 1.00 0.00 C ATOM 36 C ILE A 314 32.585 0.515 -0.315 1.00 0.00 C ATOM 37 O ILE A 314 31.774 -0.412 -0.291 1.00 0.00 O ATOM 38 CB ILE A 314 32.168 2.657 0.873 1.00 0.00 C ATOM 39 CG1 ILE A 314 31.146 3.793 0.943 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.568 3.186 1.148 1.00 0.00 C ATOM 41 CD1 ILE A 314 31.302 4.817 -0.160 1.00 0.00 C ATOM 0 H ILE A 314 30.026 1.933 -0.432 1.00 0.00 H new ATOM 0 HA ILE A 314 32.786 2.475 -1.190 1.00 0.00 H new ATOM 0 HB ILE A 314 31.912 1.924 1.638 1.00 0.00 H new ATOM 0 HG12 ILE A 314 30.142 3.371 0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 314 31.237 4.293 1.907 1.00 0.00 H new ATOM 0 HG21 ILE A 314 33.586 3.680 2.120 1.00 0.00 H new ATOM 0 HG22 ILE A 314 34.276 2.358 1.148 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.846 3.900 0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.544 5.592 -0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 314 32.293 5.267 -0.101 1.00 0.00 H new ATOM 0 HD13 ILE A 314 31.181 4.330 -1.128 1.00 0.00 H new ATOM 53 N ARG A 315 33.891 0.339 -0.172 1.00 0.00 N ATOM 54 CA ARG A 315 34.466 -0.983 0.026 1.00 0.00 C ATOM 55 C ARG A 315 35.513 -0.944 1.133 1.00 0.00 C ATOM 56 O ARG A 315 36.713 -0.888 0.868 1.00 0.00 O ATOM 57 CB ARG A 315 35.090 -1.496 -1.273 1.00 0.00 C ATOM 58 CG ARG A 315 34.871 -2.982 -1.508 1.00 0.00 C ATOM 59 CD ARG A 315 33.648 -3.234 -2.377 1.00 0.00 C ATOM 60 NE ARG A 315 32.415 -3.259 -1.594 1.00 0.00 N ATOM 61 CZ ARG A 315 32.021 -4.301 -0.866 1.00 0.00 C ATOM 62 NH1 ARG A 315 32.758 -5.404 -0.818 1.00 0.00 N ATOM 63 NH2 ARG A 315 30.886 -4.241 -0.183 1.00 0.00 N ATOM 0 H ARG A 315 34.573 1.097 -0.190 1.00 0.00 H new ATOM 0 HA ARG A 315 33.669 -1.665 0.321 1.00 0.00 H new ATOM 0 HB2 ARG A 315 34.673 -0.939 -2.112 1.00 0.00 H new ATOM 0 HB3 ARG A 315 36.161 -1.293 -1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 315 35.752 -3.410 -1.986 1.00 0.00 H new ATOM 0 HG3 ARG A 315 34.749 -3.489 -0.551 1.00 0.00 H new ATOM 0 HD2 ARG A 315 33.578 -2.457 -3.138 1.00 0.00 H new ATOM 0 HD3 ARG A 315 33.764 -4.183 -2.900 1.00 0.00 H new ATOM 0 HE ARG A 315 31.822 -2.430 -1.606 1.00 0.00 H new ATOM 0 HH11 ARG A 315 33.632 -5.456 -1.341 1.00 0.00 H new ATOM 0 HH12 ARG A 315 32.450 -6.199 -0.258 1.00 0.00 H new ATOM 0 HH21 ARG A 315 30.315 -3.396 -0.216 1.00 0.00 H new ATOM 0 HH22 ARG A 315 30.584 -5.040 0.375 1.00 0.00 H new ATOM 77 N ILE A 316 35.045 -0.965 2.376 1.00 0.00 N ATOM 78 CA ILE A 316 35.933 -0.923 3.531 1.00 0.00 C ATOM 79 C ILE A 316 35.815 -2.191 4.368 1.00 0.00 C ATOM 80 O ILE A 316 34.741 -2.514 4.876 1.00 0.00 O ATOM 81 CB ILE A 316 35.639 0.296 4.423 1.00 0.00 C ATOM 82 CG1 ILE A 316 34.136 0.569 4.483 1.00 0.00 C ATOM 83 CG2 ILE A 316 36.381 1.520 3.905 1.00 0.00 C ATOM 84 CD1 ILE A 316 33.779 1.750 5.354 1.00 0.00 C ATOM 0 H ILE A 316 34.053 -1.011 2.610 1.00 0.00 H new ATOM 0 HA ILE A 316 36.948 -0.844 3.142 1.00 0.00 H new ATOM 0 HB ILE A 316 35.988 0.078 5.432 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.765 0.745 3.473 1.00 0.00 H new ATOM 0 HG13 ILE A 316 33.627 -0.318 4.859 1.00 0.00 H new ATOM 0 HG21 ILE A 316 36.164 2.375 4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 316 37.453 1.325 3.911 1.00 0.00 H new ATOM 0 HG23 ILE A 316 36.058 1.738 2.887 1.00 0.00 H new ATOM 0 HD11 ILE A 316 32.698 1.889 5.353 1.00 0.00 H new ATOM 0 HD12 ILE A 316 34.121 1.567 6.373 1.00 0.00 H new ATOM 0 HD13 ILE A 316 34.261 2.647 4.965 1.00 0.00 H new ATOM 96 N GLN A 317 36.926 -2.907 4.506 1.00 0.00 N ATOM 97 CA GLN A 317 36.950 -4.141 5.283 1.00 0.00 C ATOM 98 C GLN A 317 37.734 -3.954 6.578 1.00 0.00 C ATOM 99 O GLN A 317 38.741 -3.245 6.609 1.00 0.00 O ATOM 100 CB GLN A 317 37.566 -5.274 4.461 1.00 0.00 C ATOM 101 CG GLN A 317 36.591 -5.925 3.494 1.00 0.00 C ATOM 102 CD GLN A 317 36.309 -5.063 2.279 1.00 0.00 C ATOM 103 OE1 GLN A 317 35.188 -4.597 2.081 1.00 0.00 O ATOM 104 NE2 GLN A 317 37.331 -4.846 1.459 1.00 0.00 N ATOM 0 H GLN A 317 37.822 -2.654 4.090 1.00 0.00 H new ATOM 0 HA GLN A 317 35.922 -4.401 5.536 1.00 0.00 H new ATOM 0 HB2 GLN A 317 38.415 -4.884 3.900 1.00 0.00 H new ATOM 0 HB3 GLN A 317 37.954 -6.034 5.139 1.00 0.00 H new ATOM 0 HG2 GLN A 317 36.994 -6.884 3.168 1.00 0.00 H new ATOM 0 HG3 GLN A 317 35.655 -6.132 4.013 1.00 0.00 H new ATOM 0 HE21 GLN A 317 38.244 -5.253 1.663 1.00 0.00 H new ATOM 0 HE22 GLN A 317 37.203 -4.272 0.625 1.00 0.00 H new ATOM 113 N ARG A 318 37.266 -4.592 7.646 1.00 0.00 N ATOM 114 CA ARG A 318 37.923 -4.495 8.943 1.00 0.00 C ATOM 115 C ARG A 318 38.577 -5.820 9.322 1.00 0.00 C ATOM 116 O ARG A 318 37.976 -6.884 9.179 1.00 0.00 O ATOM 117 CB ARG A 318 36.916 -4.087 10.020 1.00 0.00 C ATOM 118 CG ARG A 318 35.660 -4.946 10.036 1.00 0.00 C ATOM 119 CD ARG A 318 34.442 -4.166 9.568 1.00 0.00 C ATOM 120 NE ARG A 318 33.262 -5.018 9.446 1.00 0.00 N ATOM 121 CZ ARG A 318 32.595 -5.515 10.484 1.00 0.00 C ATOM 122 NH1 ARG A 318 32.987 -5.249 11.724 1.00 0.00 N ATOM 123 NH2 ARG A 318 31.531 -6.281 10.284 1.00 0.00 N ATOM 0 H ARG A 318 36.434 -5.182 7.638 1.00 0.00 H new ATOM 0 HA ARG A 318 38.699 -3.733 8.872 1.00 0.00 H new ATOM 0 HB2 ARG A 318 37.398 -4.144 10.996 1.00 0.00 H new ATOM 0 HB3 ARG A 318 36.632 -3.046 9.865 1.00 0.00 H new ATOM 0 HG2 ARG A 318 35.805 -5.815 9.394 1.00 0.00 H new ATOM 0 HG3 ARG A 318 35.487 -5.320 11.045 1.00 0.00 H new ATOM 0 HD2 ARG A 318 34.236 -3.359 10.271 1.00 0.00 H new ATOM 0 HD3 ARG A 318 34.656 -3.703 8.605 1.00 0.00 H new ATOM 0 HE ARG A 318 32.930 -5.245 8.509 1.00 0.00 H new ATOM 0 HH11 ARG A 318 33.804 -4.660 11.885 1.00 0.00 H new ATOM 0 HH12 ARG A 318 32.471 -5.633 12.515 1.00 0.00 H new ATOM 0 HH21 ARG A 318 31.224 -6.489 9.334 1.00 0.00 H new ATOM 0 HH22 ARG A 318 31.020 -6.662 11.080 1.00 0.00 H new ATOM 137 N GLY A 319 39.813 -5.746 9.804 1.00 0.00 N ATOM 138 CA GLY A 319 40.530 -6.946 10.196 1.00 0.00 C ATOM 139 C GLY A 319 41.967 -6.950 9.706 1.00 0.00 C ATOM 140 O GLY A 319 42.309 -6.218 8.778 1.00 0.00 O ATOM 0 H GLY A 319 40.331 -4.877 9.930 1.00 0.00 H new ATOM 0 HA2 GLY A 319 40.520 -7.033 11.282 1.00 0.00 H new ATOM 0 HA3 GLY A 319 40.012 -7.820 9.801 1.00 0.00 H new ATOM 144 N PRO A 320 42.836 -7.774 10.314 1.00 0.00 N ATOM 145 CA PRO A 320 44.247 -7.862 9.923 1.00 0.00 C ATOM 146 C PRO A 320 44.416 -8.132 8.431 1.00 0.00 C ATOM 147 O PRO A 320 44.016 -9.182 7.931 1.00 0.00 O ATOM 148 CB PRO A 320 44.773 -9.042 10.742 1.00 0.00 C ATOM 149 CG PRO A 320 43.865 -9.123 11.919 1.00 0.00 C ATOM 150 CD PRO A 320 42.513 -8.684 11.429 1.00 0.00 C ATOM 0 HA PRO A 320 44.780 -6.929 10.108 1.00 0.00 H new ATOM 0 HB2 PRO A 320 44.753 -9.965 10.163 1.00 0.00 H new ATOM 0 HB3 PRO A 320 45.806 -8.881 11.050 1.00 0.00 H new ATOM 0 HG2 PRO A 320 43.827 -10.139 12.313 1.00 0.00 H new ATOM 0 HG3 PRO A 320 44.215 -8.480 12.727 1.00 0.00 H new ATOM 0 HD2 PRO A 320 41.911 -9.530 11.097 1.00 0.00 H new ATOM 0 HD3 PRO A 320 41.947 -8.178 12.211 1.00 0.00 H new ATOM 158 N GLY A 321 45.011 -7.176 7.725 1.00 0.00 N ATOM 159 CA GLY A 321 45.222 -7.331 6.298 1.00 0.00 C ATOM 160 C GLY A 321 44.028 -6.874 5.482 1.00 0.00 C ATOM 161 O GLY A 321 43.798 -7.366 4.377 1.00 0.00 O ATOM 0 H GLY A 321 45.351 -6.297 8.116 1.00 0.00 H new ATOM 0 HA2 GLY A 321 46.102 -6.761 6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 321 45.431 -8.378 6.076 1.00 0.00 H new ATOM 165 N ARG A 322 43.265 -5.933 6.029 1.00 0.00 N ATOM 166 CA ARG A 322 42.088 -5.410 5.345 1.00 0.00 C ATOM 167 C ARG A 322 42.272 -3.938 4.993 1.00 0.00 C ATOM 168 O ARG A 322 42.421 -3.092 5.875 1.00 0.00 O ATOM 169 CB ARG A 322 40.845 -5.586 6.220 1.00 0.00 C ATOM 170 CG ARG A 322 40.655 -7.006 6.731 1.00 0.00 C ATOM 171 CD ARG A 322 39.750 -7.814 5.816 1.00 0.00 C ATOM 172 NE ARG A 322 38.498 -8.185 6.473 1.00 0.00 N ATOM 173 CZ ARG A 322 38.391 -9.170 7.363 1.00 0.00 C ATOM 174 NH1 ARG A 322 39.458 -9.881 7.708 1.00 0.00 N ATOM 175 NH2 ARG A 322 37.215 -9.444 7.911 1.00 0.00 N ATOM 0 H ARG A 322 43.441 -5.517 6.944 1.00 0.00 H new ATOM 0 HA ARG A 322 41.956 -5.972 4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 322 40.912 -4.908 7.071 1.00 0.00 H new ATOM 0 HB3 ARG A 322 39.964 -5.294 5.648 1.00 0.00 H new ATOM 0 HG2 ARG A 322 41.625 -7.497 6.811 1.00 0.00 H new ATOM 0 HG3 ARG A 322 40.228 -6.978 7.734 1.00 0.00 H new ATOM 0 HD2 ARG A 322 39.531 -7.235 4.919 1.00 0.00 H new ATOM 0 HD3 ARG A 322 40.271 -8.715 5.494 1.00 0.00 H new ATOM 0 HE ARG A 322 37.657 -7.659 6.236 1.00 0.00 H new ATOM 0 HH11 ARG A 322 40.365 -9.674 7.291 1.00 0.00 H new ATOM 0 HH12 ARG A 322 39.370 -10.634 8.390 1.00 0.00 H new ATOM 0 HH21 ARG A 322 36.392 -8.900 7.651 1.00 0.00 H new ATOM 0 HH22 ARG A 322 37.133 -10.198 8.593 1.00 0.00 H new ATOM 189 N ALA A 323 42.259 -3.639 3.698 1.00 0.00 N ATOM 190 CA ALA A 323 42.425 -2.269 3.228 1.00 0.00 C ATOM 191 C ALA A 323 41.080 -1.564 3.102 1.00 0.00 C ATOM 192 O ALA A 323 40.026 -2.192 3.203 1.00 0.00 O ATOM 193 CB ALA A 323 43.157 -2.255 1.895 1.00 0.00 C ATOM 0 H ALA A 323 42.135 -4.327 2.956 1.00 0.00 H new ATOM 0 HA ALA A 323 43.020 -1.728 3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.274 -1.226 1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.139 -2.712 2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.583 -2.817 1.159 1.00 0.00 H new ATOM 199 N PHE A 324 41.123 -0.253 2.881 1.00 0.00 N ATOM 200 CA PHE A 324 39.906 0.539 2.741 1.00 0.00 C ATOM 201 C PHE A 324 39.824 1.167 1.354 1.00 0.00 C ATOM 202 O PHE A 324 40.807 1.710 0.848 1.00 0.00 O ATOM 203 CB PHE A 324 39.858 1.630 3.811 1.00 0.00 C ATOM 204 CG PHE A 324 39.859 1.097 5.215 1.00 0.00 C ATOM 205 CD1 PHE A 324 38.912 0.169 5.619 1.00 0.00 C ATOM 206 CD2 PHE A 324 40.808 1.523 6.131 1.00 0.00 C ATOM 207 CE1 PHE A 324 38.910 -0.323 6.910 1.00 0.00 C ATOM 208 CE2 PHE A 324 40.811 1.034 7.423 1.00 0.00 C ATOM 209 CZ PHE A 324 39.862 0.110 7.814 1.00 0.00 C ATOM 0 H PHE A 324 41.987 0.282 2.795 1.00 0.00 H new ATOM 0 HA PHE A 324 39.052 -0.125 2.871 1.00 0.00 H new ATOM 0 HB2 PHE A 324 40.715 2.291 3.682 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.963 2.234 3.662 1.00 0.00 H new ATOM 0 HD1 PHE A 324 38.167 -0.174 4.916 1.00 0.00 H new ATOM 0 HD2 PHE A 324 41.553 2.245 5.831 1.00 0.00 H new ATOM 0 HE1 PHE A 324 38.166 -1.045 7.212 1.00 0.00 H new ATOM 0 HE2 PHE A 324 41.556 1.374 8.127 1.00 0.00 H new ATOM 0 HZ PHE A 324 39.864 -0.273 8.824 1.00 0.00 H new ATOM 219 N VAL A 325 38.645 1.093 0.745 1.00 0.00 N ATOM 220 CA VAL A 325 38.433 1.656 -0.583 1.00 0.00 C ATOM 221 C VAL A 325 37.069 2.328 -0.681 1.00 0.00 C ATOM 222 O VAL A 325 36.170 2.047 0.111 1.00 0.00 O ATOM 223 CB VAL A 325 38.540 0.575 -1.677 1.00 0.00 C ATOM 224 CG1 VAL A 325 38.539 1.210 -3.058 1.00 0.00 C ATOM 225 CG2 VAL A 325 39.788 -0.271 -1.473 1.00 0.00 C ATOM 0 H VAL A 325 37.821 0.648 1.151 1.00 0.00 H new ATOM 0 HA VAL A 325 39.215 2.399 -0.740 1.00 0.00 H new ATOM 0 HB VAL A 325 37.670 -0.078 -1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 325 38.615 0.431 -3.817 1.00 0.00 H new ATOM 0 HG12 VAL A 325 37.613 1.767 -3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 325 39.388 1.888 -3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 325 39.846 -1.028 -2.255 1.00 0.00 H new ATOM 0 HG22 VAL A 325 40.671 0.366 -1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 325 39.742 -0.758 -0.499 1.00 0.00 H new ATOM 235 N THR A 326 36.920 3.219 -1.656 1.00 0.00 N ATOM 236 CA THR A 326 35.666 3.930 -1.854 1.00 0.00 C ATOM 237 C THR A 326 35.365 4.103 -3.340 1.00 0.00 C ATOM 238 O THR A 326 36.235 4.492 -4.120 1.00 0.00 O ATOM 239 CB THR A 326 35.714 5.296 -1.169 1.00 0.00 C ATOM 240 OG1 THR A 326 36.511 6.202 -1.909 1.00 0.00 O ATOM 241 CG2 THR A 326 36.270 5.241 0.238 1.00 0.00 C ATOM 0 H THR A 326 37.654 3.465 -2.321 1.00 0.00 H new ATOM 0 HA THR A 326 34.868 3.336 -1.407 1.00 0.00 H new ATOM 0 HB THR A 326 34.678 5.630 -1.121 1.00 0.00 H new ATOM 0 HG1 THR A 326 36.527 7.070 -1.455 1.00 0.00 H new ATOM 0 HG21 THR A 326 36.276 6.243 0.666 1.00 0.00 H new ATOM 0 HG22 THR A 326 35.647 4.589 0.850 1.00 0.00 H new ATOM 0 HG23 THR A 326 37.288 4.851 0.212 1.00 0.00 H new ATOM 249 N ILE A 327 34.126 3.813 -3.724 1.00 0.00 N ATOM 250 CA ILE A 327 33.707 3.937 -5.115 1.00 0.00 C ATOM 251 C ILE A 327 32.439 4.775 -5.234 1.00 0.00 C ATOM 252 O ILE A 327 31.551 4.699 -4.385 1.00 0.00 O ATOM 253 CB ILE A 327 33.458 2.557 -5.751 1.00 0.00 C ATOM 254 CG1 ILE A 327 34.636 1.620 -5.472 1.00 0.00 C ATOM 255 CG2 ILE A 327 33.228 2.697 -7.249 1.00 0.00 C ATOM 256 CD1 ILE A 327 34.317 0.161 -5.711 1.00 0.00 C ATOM 0 H ILE A 327 33.394 3.490 -3.091 1.00 0.00 H new ATOM 0 HA ILE A 327 34.519 4.433 -5.647 1.00 0.00 H new ATOM 0 HB ILE A 327 32.562 2.125 -5.304 1.00 0.00 H new ATOM 0 HG12 ILE A 327 35.476 1.908 -6.104 1.00 0.00 H new ATOM 0 HG13 ILE A 327 34.955 1.749 -4.438 1.00 0.00 H new ATOM 0 HG21 ILE A 327 33.054 1.713 -7.684 1.00 0.00 H new ATOM 0 HG22 ILE A 327 32.359 3.331 -7.426 1.00 0.00 H new ATOM 0 HG23 ILE A 327 34.106 3.147 -7.711 1.00 0.00 H new ATOM 0 HD11 ILE A 327 35.197 -0.444 -5.494 1.00 0.00 H new ATOM 0 HD12 ILE A 327 33.497 -0.144 -5.060 1.00 0.00 H new ATOM 0 HD13 ILE A 327 34.026 0.018 -6.752 1.00 0.00 H new ATOM 268 N GLY A 328 32.361 5.573 -6.294 1.00 0.00 N ATOM 269 CA GLY A 328 31.196 6.414 -6.505 1.00 0.00 C ATOM 270 C GLY A 328 31.568 7.825 -6.917 1.00 0.00 C ATOM 271 O GLY A 328 32.699 8.264 -6.706 1.00 0.00 O ATOM 0 H GLY A 328 33.083 5.653 -7.010 1.00 0.00 H new ATOM 0 HA2 GLY A 328 30.564 5.969 -7.274 1.00 0.00 H new ATOM 0 HA3 GLY A 328 30.606 6.450 -5.589 1.00 0.00 H new