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= -0.103 X(o=-0.1,f=-0.19) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.381 5.193 -5.072 1.00 0.00 N ATOM 2 CA LYS A 312 27.075 5.231 -3.790 1.00 0.00 C ATOM 3 C LYS A 312 27.269 3.824 -3.233 1.00 0.00 C ATOM 4 O LYS A 312 26.312 3.171 -2.822 1.00 0.00 O ATOM 5 CB LYS A 312 26.294 6.085 -2.790 1.00 0.00 C ATOM 6 CG LYS A 312 26.133 7.534 -3.221 1.00 0.00 C ATOM 7 CD LYS A 312 26.998 8.467 -2.388 1.00 0.00 C ATOM 8 CE LYS A 312 26.178 9.202 -1.341 1.00 0.00 C ATOM 9 NZ LYS A 312 26.915 9.343 -0.056 1.00 0.00 N ATOM 0 HA LYS A 312 28.057 5.677 -3.950 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.307 5.647 -2.644 1.00 0.00 H new ATOM 0 HB3 LYS A 312 26.802 6.056 -1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 312 26.400 7.633 -4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 312 25.087 7.827 -3.128 1.00 0.00 H new ATOM 0 HD2 LYS A 312 27.785 7.894 -1.898 1.00 0.00 H new ATOM 0 HD3 LYS A 312 27.488 9.190 -3.041 1.00 0.00 H new ATOM 0 HE2 LYS A 312 25.911 10.190 -1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 312 25.246 8.665 -1.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 26.321 9.850 0.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 27.147 8.400 0.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 27.792 9.878 -0.216 1.00 0.00 H new ATOM 23 N SER A 313 28.517 3.366 -3.225 1.00 0.00 N ATOM 24 CA SER A 313 28.840 2.037 -2.718 1.00 0.00 C ATOM 25 C SER A 313 30.248 2.009 -2.133 1.00 0.00 C ATOM 26 O SER A 313 31.235 2.077 -2.865 1.00 0.00 O ATOM 27 CB SER A 313 28.718 0.998 -3.835 1.00 0.00 C ATOM 28 OG SER A 313 29.354 -0.216 -3.474 1.00 0.00 O ATOM 0 H SER A 313 29.321 3.895 -3.564 1.00 0.00 H new ATOM 0 HA SER A 313 28.131 1.793 -1.927 1.00 0.00 H new ATOM 0 HB2 SER A 313 27.666 0.811 -4.049 1.00 0.00 H new ATOM 0 HB3 SER A 313 29.165 1.388 -4.749 1.00 0.00 H new ATOM 0 HG SER A 313 29.261 -0.864 -4.203 1.00 0.00 H new ATOM 34 N ILE A 314 30.332 1.909 -0.811 1.00 0.00 N ATOM 35 CA ILE A 314 31.622 1.875 -0.130 1.00 0.00 C ATOM 36 C ILE A 314 32.061 0.445 0.147 1.00 0.00 C ATOM 37 O ILE A 314 31.245 -0.477 0.166 1.00 0.00 O ATOM 38 CB ILE A 314 31.592 2.636 1.211 1.00 0.00 C ATOM 39 CG1 ILE A 314 30.610 3.808 1.155 1.00 0.00 C ATOM 40 CG2 ILE A 314 32.986 3.126 1.569 1.00 0.00 C ATOM 41 CD1 ILE A 314 30.931 4.817 0.075 1.00 0.00 C ATOM 0 H ILE A 314 29.525 1.850 -0.190 1.00 0.00 H new ATOM 0 HA ILE A 314 32.329 2.361 -0.802 1.00 0.00 H new ATOM 0 HB ILE A 314 31.252 1.949 1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 314 29.604 3.421 0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.604 4.312 2.121 1.00 0.00 H new ATOM 0 HG21 ILE A 314 32.951 3.662 2.518 1.00 0.00 H new ATOM 0 HG22 ILE A 314 33.660 2.274 1.658 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.348 3.795 0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.193 5.619 0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 314 31.923 5.233 0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 314 30.908 4.327 -0.899 1.00 0.00 H new ATOM 53 N ARG A 315 33.356 0.271 0.377 1.00 0.00 N ATOM 54 CA ARG A 315 33.912 -1.039 0.672 1.00 0.00 C ATOM 55 C ARG A 315 34.900 -0.945 1.828 1.00 0.00 C ATOM 56 O ARG A 315 36.113 -0.904 1.624 1.00 0.00 O ATOM 57 CB ARG A 315 34.602 -1.619 -0.563 1.00 0.00 C ATOM 58 CG ARG A 315 35.114 -3.036 -0.365 1.00 0.00 C ATOM 59 CD ARG A 315 34.073 -4.068 -0.768 1.00 0.00 C ATOM 60 NE ARG A 315 33.979 -5.157 0.202 1.00 0.00 N ATOM 61 CZ ARG A 315 33.428 -6.340 -0.064 1.00 0.00 C ATOM 62 NH1 ARG A 315 32.922 -6.589 -1.265 1.00 0.00 N ATOM 63 NH2 ARG A 315 33.384 -7.276 0.875 1.00 0.00 N ATOM 0 H ARG A 315 34.042 1.026 0.364 1.00 0.00 H new ATOM 0 HA ARG A 315 33.096 -1.703 0.959 1.00 0.00 H new ATOM 0 HB2 ARG A 315 33.902 -1.608 -1.399 1.00 0.00 H new ATOM 0 HB3 ARG A 315 35.437 -0.975 -0.838 1.00 0.00 H new ATOM 0 HG2 ARG A 315 36.019 -3.182 -0.954 1.00 0.00 H new ATOM 0 HG3 ARG A 315 35.387 -3.182 0.680 1.00 0.00 H new ATOM 0 HD2 ARG A 315 33.101 -3.584 -0.865 1.00 0.00 H new ATOM 0 HD3 ARG A 315 34.326 -4.475 -1.747 1.00 0.00 H new ATOM 0 HE ARG A 315 34.357 -5.002 1.137 1.00 0.00 H new ATOM 0 HH11 ARG A 315 32.954 -5.873 -1.990 1.00 0.00 H new ATOM 0 HH12 ARG A 315 32.501 -7.497 -1.463 1.00 0.00 H new ATOM 0 HH21 ARG A 315 33.772 -7.089 1.800 1.00 0.00 H new ATOM 0 HH22 ARG A 315 32.962 -8.182 0.672 1.00 0.00 H new ATOM 77 N ILE A 316 34.367 -0.901 3.044 1.00 0.00 N ATOM 78 CA ILE A 316 35.193 -0.799 4.240 1.00 0.00 C ATOM 79 C ILE A 316 35.109 -2.069 5.080 1.00 0.00 C ATOM 80 O ILE A 316 34.055 -2.396 5.625 1.00 0.00 O ATOM 81 CB ILE A 316 34.784 0.409 5.107 1.00 0.00 C ATOM 82 CG1 ILE A 316 33.277 0.655 5.015 1.00 0.00 C ATOM 83 CG2 ILE A 316 35.552 1.650 4.677 1.00 0.00 C ATOM 84 CD1 ILE A 316 32.812 1.822 5.854 1.00 0.00 C ATOM 0 H ILE A 316 33.364 -0.935 3.227 1.00 0.00 H new ATOM 0 HA ILE A 316 36.220 -0.661 3.902 1.00 0.00 H new ATOM 0 HB ILE A 316 35.031 0.187 6.145 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.008 0.834 3.974 1.00 0.00 H new ATOM 0 HG13 ILE A 316 32.749 -0.245 5.331 1.00 0.00 H new ATOM 0 HG21 ILE A 316 35.254 2.495 5.297 1.00 0.00 H new ATOM 0 HG22 ILE A 316 36.621 1.474 4.793 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.332 1.871 3.633 1.00 0.00 H new ATOM 0 HD11 ILE A 316 31.734 1.943 5.744 1.00 0.00 H new ATOM 0 HD12 ILE A 316 33.051 1.636 6.901 1.00 0.00 H new ATOM 0 HD13 ILE A 316 33.314 2.731 5.523 1.00 0.00 H new ATOM 96 N GLN A 317 36.228 -2.779 5.180 1.00 0.00 N ATOM 97 CA GLN A 317 36.286 -4.014 5.954 1.00 0.00 C ATOM 98 C GLN A 317 37.354 -3.925 7.038 1.00 0.00 C ATOM 99 O GLN A 317 38.291 -3.134 6.937 1.00 0.00 O ATOM 100 CB GLN A 317 36.573 -5.203 5.035 1.00 0.00 C ATOM 101 CG GLN A 317 35.769 -5.186 3.745 1.00 0.00 C ATOM 102 CD GLN A 317 36.647 -5.210 2.509 1.00 0.00 C ATOM 103 OE1 GLN A 317 36.483 -6.060 1.634 1.00 0.00 O ATOM 104 NE2 GLN A 317 37.588 -4.276 2.432 1.00 0.00 N ATOM 0 H GLN A 317 37.108 -2.520 4.734 1.00 0.00 H new ATOM 0 HA GLN A 317 35.318 -4.160 6.433 1.00 0.00 H new ATOM 0 HB2 GLN A 317 37.635 -5.214 4.791 1.00 0.00 H new ATOM 0 HB3 GLN A 317 36.360 -6.127 5.573 1.00 0.00 H new ATOM 0 HG2 GLN A 317 35.100 -6.046 3.727 1.00 0.00 H new ATOM 0 HG3 GLN A 317 35.143 -4.294 3.724 1.00 0.00 H new ATOM 0 HE21 GLN A 317 37.689 -3.591 3.181 1.00 0.00 H new ATOM 0 HE22 GLN A 317 38.210 -4.244 1.624 1.00 0.00 H new ATOM 113 N ARG A 318 37.206 -4.742 8.076 1.00 0.00 N ATOM 114 CA ARG A 318 38.160 -4.755 9.179 1.00 0.00 C ATOM 115 C ARG A 318 38.921 -6.076 9.226 1.00 0.00 C ATOM 116 O ARG A 318 38.322 -7.151 9.215 1.00 0.00 O ATOM 117 CB ARG A 318 37.438 -4.522 10.508 1.00 0.00 C ATOM 118 CG ARG A 318 36.258 -5.454 10.730 1.00 0.00 C ATOM 119 CD ARG A 318 34.943 -4.787 10.359 1.00 0.00 C ATOM 120 NE ARG A 318 34.683 -3.600 11.171 1.00 0.00 N ATOM 121 CZ ARG A 318 33.483 -3.042 11.304 1.00 0.00 C ATOM 122 NH1 ARG A 318 32.429 -3.561 10.685 1.00 0.00 N ATOM 123 NH2 ARG A 318 33.334 -1.963 12.060 1.00 0.00 N ATOM 0 H ARG A 318 36.436 -5.403 8.176 1.00 0.00 H new ATOM 0 HA ARG A 318 38.876 -3.950 9.016 1.00 0.00 H new ATOM 0 HB2 ARG A 318 38.149 -4.648 11.325 1.00 0.00 H new ATOM 0 HB3 ARG A 318 37.088 -3.490 10.546 1.00 0.00 H new ATOM 0 HG2 ARG A 318 36.390 -6.357 10.134 1.00 0.00 H new ATOM 0 HG3 ARG A 318 36.228 -5.763 11.775 1.00 0.00 H new ATOM 0 HD2 ARG A 318 34.962 -4.508 9.305 1.00 0.00 H new ATOM 0 HD3 ARG A 318 34.127 -5.499 10.486 1.00 0.00 H new ATOM 0 HE ARG A 318 35.468 -3.175 11.665 1.00 0.00 H new ATOM 0 HH11 ARG A 318 32.537 -4.392 10.104 1.00 0.00 H new ATOM 0 HH12 ARG A 318 31.511 -3.129 10.791 1.00 0.00 H new ATOM 0 HH21 ARG A 318 34.140 -1.561 12.539 1.00 0.00 H new ATOM 0 HH22 ARG A 318 32.414 -1.535 12.162 1.00 0.00 H new ATOM 137 N GLY A 319 40.247 -5.987 9.277 1.00 0.00 N ATOM 138 CA GLY A 319 41.068 -7.181 9.325 1.00 0.00 C ATOM 139 C GLY A 319 42.550 -6.863 9.399 1.00 0.00 C ATOM 140 O GLY A 319 42.972 -5.773 9.013 1.00 0.00 O ATOM 0 H GLY A 319 40.766 -5.109 9.286 1.00 0.00 H new ATOM 0 HA2 GLY A 319 40.784 -7.779 10.191 1.00 0.00 H new ATOM 0 HA3 GLY A 319 40.873 -7.788 8.441 1.00 0.00 H new ATOM 144 N PRO A 320 43.373 -7.803 9.895 1.00 0.00 N ATOM 145 CA PRO A 320 44.821 -7.603 10.012 1.00 0.00 C ATOM 146 C PRO A 320 45.449 -7.145 8.701 1.00 0.00 C ATOM 147 O PRO A 320 45.815 -7.963 7.856 1.00 0.00 O ATOM 148 CB PRO A 320 45.341 -8.989 10.399 1.00 0.00 C ATOM 149 CG PRO A 320 44.188 -9.654 11.066 1.00 0.00 C ATOM 150 CD PRO A 320 42.956 -9.132 10.379 1.00 0.00 C ATOM 0 HA PRO A 320 45.068 -6.824 10.733 1.00 0.00 H new ATOM 0 HB2 PRO A 320 45.667 -9.548 9.522 1.00 0.00 H new ATOM 0 HB3 PRO A 320 46.198 -8.917 11.069 1.00 0.00 H new ATOM 0 HG2 PRO A 320 44.256 -10.738 10.975 1.00 0.00 H new ATOM 0 HG3 PRO A 320 44.168 -9.425 12.131 1.00 0.00 H new ATOM 0 HD2 PRO A 320 42.648 -9.780 9.559 1.00 0.00 H new ATOM 0 HD3 PRO A 320 42.112 -9.063 11.065 1.00 0.00 H new ATOM 158 N GLY A 321 45.573 -5.832 8.538 1.00 0.00 N ATOM 159 CA GLY A 321 46.158 -5.288 7.327 1.00 0.00 C ATOM 160 C GLY A 321 45.125 -5.038 6.246 1.00 0.00 C ATOM 161 O GLY A 321 45.429 -5.123 5.056 1.00 0.00 O ATOM 0 H GLY A 321 45.279 -5.135 9.223 1.00 0.00 H new ATOM 0 HA2 GLY A 321 46.668 -4.353 7.561 1.00 0.00 H new ATOM 0 HA3 GLY A 321 46.914 -5.977 6.951 1.00 0.00 H new ATOM 165 N ARG A 322 43.901 -4.730 6.660 1.00 0.00 N ATOM 166 CA ARG A 322 42.818 -4.467 5.719 1.00 0.00 C ATOM 167 C ARG A 322 42.744 -2.982 5.378 1.00 0.00 C ATOM 168 O ARG A 322 42.836 -2.128 6.258 1.00 0.00 O ATOM 169 CB ARG A 322 41.482 -4.938 6.299 1.00 0.00 C ATOM 170 CG ARG A 322 40.348 -4.947 5.288 1.00 0.00 C ATOM 171 CD ARG A 322 40.535 -6.037 4.244 1.00 0.00 C ATOM 172 NE ARG A 322 40.170 -7.357 4.757 1.00 0.00 N ATOM 173 CZ ARG A 322 41.023 -8.188 5.355 1.00 0.00 C ATOM 174 NH1 ARG A 322 42.293 -7.841 5.530 1.00 0.00 N ATOM 175 NH2 ARG A 322 40.603 -9.370 5.783 1.00 0.00 N ATOM 0 H ARG A 322 43.634 -4.656 7.642 1.00 0.00 H new ATOM 0 HA ARG A 322 43.022 -5.022 4.804 1.00 0.00 H new ATOM 0 HB2 ARG A 322 41.605 -5.943 6.703 1.00 0.00 H new ATOM 0 HB3 ARG A 322 41.209 -4.291 7.132 1.00 0.00 H new ATOM 0 HG2 ARG A 322 39.400 -5.097 5.805 1.00 0.00 H new ATOM 0 HG3 ARG A 322 40.292 -3.976 4.795 1.00 0.00 H new ATOM 0 HD2 ARG A 322 39.928 -5.808 3.368 1.00 0.00 H new ATOM 0 HD3 ARG A 322 41.574 -6.050 3.916 1.00 0.00 H new ATOM 0 HE ARG A 322 39.202 -7.661 4.650 1.00 0.00 H new ATOM 0 HH11 ARG A 322 42.623 -6.932 5.206 1.00 0.00 H new ATOM 0 HH12 ARG A 322 42.939 -8.484 5.989 1.00 0.00 H new ATOM 0 HH21 ARG A 322 39.628 -9.642 5.654 1.00 0.00 H new ATOM 0 HH22 ARG A 322 41.254 -10.007 6.241 1.00 0.00 H new ATOM 189 N ALA A 323 42.577 -2.683 4.094 1.00 0.00 N ATOM 190 CA ALA A 323 42.491 -1.300 3.637 1.00 0.00 C ATOM 191 C ALA A 323 41.039 -0.854 3.500 1.00 0.00 C ATOM 192 O ALA A 323 40.120 -1.668 3.582 1.00 0.00 O ATOM 193 CB ALA A 323 43.221 -1.136 2.313 1.00 0.00 C ATOM 0 H ALA A 323 42.499 -3.378 3.352 1.00 0.00 H new ATOM 0 HA ALA A 323 42.968 -0.667 4.385 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.149 -0.099 1.984 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.270 -1.404 2.440 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.768 -1.787 1.565 1.00 0.00 H new ATOM 199 N PHE A 324 40.842 0.444 3.293 1.00 0.00 N ATOM 200 CA PHE A 324 39.502 1.000 3.142 1.00 0.00 C ATOM 201 C PHE A 324 39.348 1.691 1.792 1.00 0.00 C ATOM 202 O PHE A 324 39.982 2.713 1.529 1.00 0.00 O ATOM 203 CB PHE A 324 39.210 1.991 4.271 1.00 0.00 C ATOM 204 CG PHE A 324 39.315 1.389 5.643 1.00 0.00 C ATOM 205 CD1 PHE A 324 38.481 0.349 6.023 1.00 0.00 C ATOM 206 CD2 PHE A 324 40.246 1.864 6.552 1.00 0.00 C ATOM 207 CE1 PHE A 324 38.575 -0.206 7.285 1.00 0.00 C ATOM 208 CE2 PHE A 324 40.344 1.313 7.816 1.00 0.00 C ATOM 209 CZ PHE A 324 39.508 0.277 8.182 1.00 0.00 C ATOM 0 H PHE A 324 41.593 1.131 3.226 1.00 0.00 H new ATOM 0 HA PHE A 324 38.787 0.179 3.193 1.00 0.00 H new ATOM 0 HB2 PHE A 324 39.904 2.828 4.197 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.207 2.396 4.137 1.00 0.00 H new ATOM 0 HD1 PHE A 324 37.750 -0.032 5.325 1.00 0.00 H new ATOM 0 HD2 PHE A 324 40.903 2.674 6.270 1.00 0.00 H new ATOM 0 HE1 PHE A 324 37.920 -1.016 7.570 1.00 0.00 H new ATOM 0 HE2 PHE A 324 41.073 1.692 8.516 1.00 0.00 H new ATOM 0 HZ PHE A 324 39.583 -0.155 9.169 1.00 0.00 H new ATOM 219 N VAL A 325 38.500 1.127 0.937 1.00 0.00 N ATOM 220 CA VAL A 325 38.262 1.690 -0.386 1.00 0.00 C ATOM 221 C VAL A 325 36.798 2.085 -0.556 1.00 0.00 C ATOM 222 O VAL A 325 35.919 1.556 0.125 1.00 0.00 O ATOM 223 CB VAL A 325 38.653 0.697 -1.499 1.00 0.00 C ATOM 224 CG1 VAL A 325 37.822 -0.574 -1.404 1.00 0.00 C ATOM 225 CG2 VAL A 325 38.502 1.340 -2.870 1.00 0.00 C ATOM 0 H VAL A 325 37.967 0.281 1.138 1.00 0.00 H new ATOM 0 HA VAL A 325 38.887 2.579 -0.472 1.00 0.00 H new ATOM 0 HB VAL A 325 39.700 0.428 -1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 325 38.115 -1.260 -2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 325 37.990 -1.047 -0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 325 36.766 -0.327 -1.509 1.00 0.00 H new ATOM 0 HG21 VAL A 325 38.783 0.623 -3.641 1.00 0.00 H new ATOM 0 HG22 VAL A 325 37.466 1.644 -3.017 1.00 0.00 H new ATOM 0 HG23 VAL A 325 39.149 2.215 -2.935 1.00 0.00 H new ATOM 235 N THR A 326 36.543 3.017 -1.467 1.00 0.00 N ATOM 236 CA THR A 326 35.189 3.483 -1.726 1.00 0.00 C ATOM 237 C THR A 326 34.916 3.563 -3.224 1.00 0.00 C ATOM 238 O THR A 326 35.818 3.840 -4.015 1.00 0.00 O ATOM 239 CB THR A 326 34.963 4.851 -1.079 1.00 0.00 C ATOM 240 OG1 THR A 326 35.592 5.872 -1.834 1.00 0.00 O ATOM 241 CG2 THR A 326 35.489 4.938 0.338 1.00 0.00 C ATOM 0 H THR A 326 37.259 3.465 -2.039 1.00 0.00 H new ATOM 0 HA THR A 326 34.496 2.764 -1.288 1.00 0.00 H new ATOM 0 HB THR A 326 33.881 4.985 -1.056 1.00 0.00 H new ATOM 0 HG1 THR A 326 35.435 6.739 -1.406 1.00 0.00 H new ATOM 0 HG21 THR A 326 35.296 5.934 0.737 1.00 0.00 H new ATOM 0 HG22 THR A 326 34.988 4.195 0.958 1.00 0.00 H new ATOM 0 HG23 THR A 326 36.562 4.748 0.340 1.00 0.00 H new ATOM 249 N ILE A 327 33.666 3.320 -3.606 1.00 0.00 N ATOM 250 CA ILE A 327 33.274 3.365 -5.009 1.00 0.00 C ATOM 251 C ILE A 327 32.200 4.421 -5.245 1.00 0.00 C ATOM 252 O ILE A 327 31.264 4.557 -4.458 1.00 0.00 O ATOM 253 CB ILE A 327 32.748 1.998 -5.489 1.00 0.00 C ATOM 254 CG1 ILE A 327 33.717 0.884 -5.089 1.00 0.00 C ATOM 255 CG2 ILE A 327 32.539 2.010 -6.997 1.00 0.00 C ATOM 256 CD1 ILE A 327 33.105 -0.499 -5.149 1.00 0.00 C ATOM 0 H ILE A 327 32.908 3.090 -2.963 1.00 0.00 H new ATOM 0 HA ILE A 327 34.166 3.624 -5.579 1.00 0.00 H new ATOM 0 HB ILE A 327 31.788 1.807 -5.010 1.00 0.00 H new ATOM 0 HG12 ILE A 327 34.587 0.917 -5.745 1.00 0.00 H new ATOM 0 HG13 ILE A 327 34.075 1.071 -4.076 1.00 0.00 H new ATOM 0 HG21 ILE A 327 32.167 1.038 -7.321 1.00 0.00 H new ATOM 0 HG22 ILE A 327 31.814 2.781 -7.258 1.00 0.00 H new ATOM 0 HG23 ILE A 327 33.486 2.220 -7.494 1.00 0.00 H new ATOM 0 HD11 ILE A 327 33.848 -1.239 -4.853 1.00 0.00 H new ATOM 0 HD12 ILE A 327 32.253 -0.549 -4.471 1.00 0.00 H new ATOM 0 HD13 ILE A 327 32.772 -0.706 -6.166 1.00 0.00 H new ATOM 268 N GLY A 328 32.341 5.167 -6.337 1.00 0.00 N ATOM 269 CA GLY A 328 31.375 6.201 -6.657 1.00 0.00 C ATOM 270 C GLY A 328 31.867 7.137 -7.745 1.00 0.00 C ATOM 271 O GLY A 328 32.924 7.754 -7.611 1.00 0.00 O ATOM 0 H GLY A 328 33.106 5.073 -7.005 1.00 0.00 H new ATOM 0 HA2 GLY A 328 30.442 5.736 -6.976 1.00 0.00 H new ATOM 0 HA3 GLY A 328 31.153 6.777 -5.759 1.00 0.00 H new