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+ 172:sc= 0 (180deg=-0.0327) USER MOD Single : A 313 SER OG : rot 180:sc= 0 USER MOD Single : A 317 GLN : amide:sc= -0.0104 K(o=-0.01,f=-1.5!) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.184 4.981 -4.902 1.00 0.00 N ATOM 2 CA LYS A 312 26.945 4.990 -3.659 1.00 0.00 C ATOM 3 C LYS A 312 27.218 3.568 -3.175 1.00 0.00 C ATOM 4 O LYS A 312 26.307 2.863 -2.742 1.00 0.00 O ATOM 5 CB LYS A 312 26.192 5.771 -2.581 1.00 0.00 C ATOM 6 CG LYS A 312 26.286 7.279 -2.745 1.00 0.00 C ATOM 7 CD LYS A 312 27.633 7.806 -2.279 1.00 0.00 C ATOM 8 CE LYS A 312 28.076 9.006 -3.100 1.00 0.00 C ATOM 9 NZ LYS A 312 27.110 10.135 -3.001 1.00 0.00 N ATOM 0 HA LYS A 312 27.900 5.478 -3.852 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.143 5.477 -2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 312 26.585 5.495 -1.603 1.00 0.00 H new ATOM 0 HG2 LYS A 312 26.133 7.543 -3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 312 25.490 7.758 -2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 312 27.571 8.086 -1.227 1.00 0.00 H new ATOM 0 HD3 LYS A 312 28.380 7.016 -2.355 1.00 0.00 H new ATOM 0 HE2 LYS A 312 29.057 9.337 -2.759 1.00 0.00 H new ATOM 0 HE3 LYS A 312 28.184 8.711 -4.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 27.511 10.977 -3.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 26.221 9.873 -3.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 26.922 10.344 -2.000 1.00 0.00 H new ATOM 23 N SER A 313 28.479 3.157 -3.253 1.00 0.00 N ATOM 24 CA SER A 313 28.877 1.821 -2.822 1.00 0.00 C ATOM 25 C SER A 313 30.258 1.851 -2.177 1.00 0.00 C ATOM 26 O SER A 313 31.265 2.060 -2.853 1.00 0.00 O ATOM 27 CB SER A 313 28.876 0.857 -4.011 1.00 0.00 C ATOM 28 OG SER A 313 29.165 1.538 -5.221 1.00 0.00 O ATOM 0 H SER A 313 29.244 3.730 -3.611 1.00 0.00 H new ATOM 0 HA SER A 313 28.156 1.473 -2.082 1.00 0.00 H new ATOM 0 HB2 SER A 313 29.614 0.072 -3.847 1.00 0.00 H new ATOM 0 HB3 SER A 313 27.904 0.370 -4.087 1.00 0.00 H new ATOM 0 HG SER A 313 29.160 0.900 -5.965 1.00 0.00 H new ATOM 34 N ILE A 314 30.299 1.645 -0.865 1.00 0.00 N ATOM 35 CA ILE A 314 31.559 1.653 -0.130 1.00 0.00 C ATOM 36 C ILE A 314 32.103 0.245 0.053 1.00 0.00 C ATOM 37 O ILE A 314 31.367 -0.737 -0.034 1.00 0.00 O ATOM 38 CB ILE A 314 31.417 2.296 1.266 1.00 0.00 C ATOM 39 CG1 ILE A 314 30.337 3.381 1.267 1.00 0.00 C ATOM 40 CG2 ILE A 314 32.750 2.875 1.717 1.00 0.00 C ATOM 41 CD1 ILE A 314 30.667 4.564 0.383 1.00 0.00 C ATOM 0 H ILE A 314 29.475 1.471 -0.289 1.00 0.00 H new ATOM 0 HA ILE A 314 32.248 2.247 -0.730 1.00 0.00 H new ATOM 0 HB ILE A 314 31.114 1.519 1.968 1.00 0.00 H new ATOM 0 HG12 ILE A 314 29.394 2.944 0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.187 3.732 2.288 1.00 0.00 H new ATOM 0 HG21 ILE A 314 32.636 3.326 2.703 1.00 0.00 H new ATOM 0 HG22 ILE A 314 33.494 2.080 1.765 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.076 3.635 1.006 1.00 0.00 H new ATOM 0 HD11 ILE A 314 29.858 5.293 0.433 1.00 0.00 H new ATOM 0 HD12 ILE A 314 31.593 5.026 0.725 1.00 0.00 H new ATOM 0 HD13 ILE A 314 30.788 4.226 -0.646 1.00 0.00 H new ATOM 53 N ARG A 315 33.398 0.159 0.328 1.00 0.00 N ATOM 54 CA ARG A 315 34.052 -1.122 0.549 1.00 0.00 C ATOM 55 C ARG A 315 34.976 -1.035 1.757 1.00 0.00 C ATOM 56 O ARG A 315 36.188 -0.877 1.618 1.00 0.00 O ATOM 57 CB ARG A 315 34.841 -1.543 -0.693 1.00 0.00 C ATOM 58 CG ARG A 315 34.202 -2.691 -1.458 1.00 0.00 C ATOM 59 CD ARG A 315 34.441 -4.023 -0.764 1.00 0.00 C ATOM 60 NE ARG A 315 33.253 -4.873 -0.785 1.00 0.00 N ATOM 61 CZ ARG A 315 33.183 -6.062 -0.193 1.00 0.00 C ATOM 62 NH1 ARG A 315 34.228 -6.547 0.466 1.00 0.00 N ATOM 63 NH2 ARG A 315 32.064 -6.770 -0.259 1.00 0.00 N ATOM 0 H ARG A 315 34.018 0.966 0.403 1.00 0.00 H new ATOM 0 HA ARG A 315 33.288 -1.875 0.743 1.00 0.00 H new ATOM 0 HB2 ARG A 315 34.941 -0.685 -1.358 1.00 0.00 H new ATOM 0 HB3 ARG A 315 35.848 -1.833 -0.393 1.00 0.00 H new ATOM 0 HG2 ARG A 315 33.130 -2.515 -1.552 1.00 0.00 H new ATOM 0 HG3 ARG A 315 34.609 -2.728 -2.469 1.00 0.00 H new ATOM 0 HD2 ARG A 315 35.267 -4.542 -1.251 1.00 0.00 H new ATOM 0 HD3 ARG A 315 34.741 -3.845 0.269 1.00 0.00 H new ATOM 0 HE ARG A 315 32.429 -4.535 -1.283 1.00 0.00 H new ATOM 0 HH11 ARG A 315 35.092 -6.007 0.521 1.00 0.00 H new ATOM 0 HH12 ARG A 315 34.167 -7.460 0.918 1.00 0.00 H new ATOM 0 HH21 ARG A 315 31.257 -6.403 -0.764 1.00 0.00 H new ATOM 0 HH22 ARG A 315 32.010 -7.682 0.195 1.00 0.00 H new ATOM 77 N ILE A 316 34.387 -1.131 2.944 1.00 0.00 N ATOM 78 CA ILE A 316 35.149 -1.054 4.184 1.00 0.00 C ATOM 79 C ILE A 316 35.279 -2.423 4.841 1.00 0.00 C ATOM 80 O ILE A 316 34.302 -2.977 5.346 1.00 0.00 O ATOM 81 CB ILE A 316 34.516 -0.066 5.190 1.00 0.00 C ATOM 82 CG1 ILE A 316 32.999 0.013 5.002 1.00 0.00 C ATOM 83 CG2 ILE A 316 35.141 1.313 5.036 1.00 0.00 C ATOM 84 CD1 ILE A 316 32.328 0.976 5.952 1.00 0.00 C ATOM 0 H ILE A 316 33.384 -1.262 3.073 1.00 0.00 H new ATOM 0 HA ILE A 316 36.140 -0.689 3.914 1.00 0.00 H new ATOM 0 HB ILE A 316 34.713 -0.433 6.197 1.00 0.00 H new ATOM 0 HG12 ILE A 316 32.782 0.314 3.977 1.00 0.00 H new ATOM 0 HG13 ILE A 316 32.571 -0.980 5.140 1.00 0.00 H new ATOM 0 HG21 ILE A 316 34.687 2.000 5.750 1.00 0.00 H new ATOM 0 HG22 ILE A 316 36.213 1.250 5.224 1.00 0.00 H new ATOM 0 HG23 ILE A 316 34.972 1.678 4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 316 31.254 0.983 5.765 1.00 0.00 H new ATOM 0 HD12 ILE A 316 32.515 0.663 6.979 1.00 0.00 H new ATOM 0 HD13 ILE A 316 32.730 1.978 5.799 1.00 0.00 H new ATOM 96 N GLN A 317 36.493 -2.962 4.832 1.00 0.00 N ATOM 97 CA GLN A 317 36.759 -4.266 5.427 1.00 0.00 C ATOM 98 C GLN A 317 37.754 -4.143 6.576 1.00 0.00 C ATOM 99 O GLN A 317 38.490 -3.161 6.670 1.00 0.00 O ATOM 100 CB GLN A 317 37.299 -5.231 4.370 1.00 0.00 C ATOM 101 CG GLN A 317 38.649 -4.822 3.807 1.00 0.00 C ATOM 102 CD GLN A 317 38.672 -4.811 2.290 1.00 0.00 C ATOM 103 OE1 GLN A 317 39.085 -5.782 1.657 1.00 0.00 O ATOM 104 NE2 GLN A 317 38.226 -3.708 1.701 1.00 0.00 N ATOM 0 H GLN A 317 37.311 -2.514 4.418 1.00 0.00 H new ATOM 0 HA GLN A 317 35.821 -4.658 5.821 1.00 0.00 H new ATOM 0 HB2 GLN A 317 37.383 -6.226 4.807 1.00 0.00 H new ATOM 0 HB3 GLN A 317 36.580 -5.302 3.553 1.00 0.00 H new ATOM 0 HG2 GLN A 317 38.907 -3.830 4.177 1.00 0.00 H new ATOM 0 HG3 GLN A 317 39.413 -5.508 4.173 1.00 0.00 H new ATOM 0 HE21 GLN A 317 37.893 -2.927 2.266 1.00 0.00 H new ATOM 0 HE22 GLN A 317 38.216 -3.642 0.683 1.00 0.00 H new ATOM 113 N ARG A 318 37.771 -5.144 7.450 1.00 0.00 N ATOM 114 CA ARG A 318 38.676 -5.144 8.593 1.00 0.00 C ATOM 115 C ARG A 318 39.830 -6.118 8.379 1.00 0.00 C ATOM 116 O ARG A 318 39.720 -7.066 7.602 1.00 0.00 O ATOM 117 CB ARG A 318 37.918 -5.508 9.870 1.00 0.00 C ATOM 118 CG ARG A 318 36.974 -6.688 9.703 1.00 0.00 C ATOM 119 CD ARG A 318 36.486 -7.206 11.046 1.00 0.00 C ATOM 120 NE ARG A 318 35.103 -7.671 10.984 1.00 0.00 N ATOM 121 CZ ARG A 318 34.551 -8.480 11.885 1.00 0.00 C ATOM 122 NH1 ARG A 318 35.261 -8.915 12.919 1.00 0.00 N ATOM 123 NH2 ARG A 318 33.286 -8.854 11.752 1.00 0.00 N ATOM 0 H ARG A 318 37.169 -5.965 7.388 1.00 0.00 H new ATOM 0 HA ARG A 318 39.088 -4.140 8.695 1.00 0.00 H new ATOM 0 HB2 ARG A 318 38.637 -5.737 10.656 1.00 0.00 H new ATOM 0 HB3 ARG A 318 37.347 -4.641 10.203 1.00 0.00 H new ATOM 0 HG2 ARG A 318 36.120 -6.389 9.095 1.00 0.00 H new ATOM 0 HG3 ARG A 318 37.482 -7.489 9.166 1.00 0.00 H new ATOM 0 HD2 ARG A 318 37.129 -8.023 11.375 1.00 0.00 H new ATOM 0 HD3 ARG A 318 36.569 -6.415 11.791 1.00 0.00 H new ATOM 0 HE ARG A 318 34.526 -7.357 10.204 1.00 0.00 H new ATOM 0 HH11 ARG A 318 36.234 -8.629 13.026 1.00 0.00 H new ATOM 0 HH12 ARG A 318 34.833 -9.535 13.607 1.00 0.00 H new ATOM 0 HH21 ARG A 318 32.737 -8.522 10.959 1.00 0.00 H new ATOM 0 HH22 ARG A 318 32.862 -9.474 12.442 1.00 0.00 H new ATOM 137 N GLY A 319 40.935 -5.877 9.076 1.00 0.00 N ATOM 138 CA GLY A 319 42.094 -6.740 8.951 1.00 0.00 C ATOM 139 C GLY A 319 43.396 -6.006 9.221 1.00 0.00 C ATOM 140 O GLY A 319 43.524 -4.828 8.888 1.00 0.00 O ATOM 0 H GLY A 319 41.048 -5.099 9.726 1.00 0.00 H new ATOM 0 HA2 GLY A 319 41.999 -7.574 9.647 1.00 0.00 H new ATOM 0 HA3 GLY A 319 42.121 -7.164 7.947 1.00 0.00 H new ATOM 144 N PRO A 320 44.388 -6.679 9.830 1.00 0.00 N ATOM 145 CA PRO A 320 45.684 -6.065 10.137 1.00 0.00 C ATOM 146 C PRO A 320 46.315 -5.404 8.916 1.00 0.00 C ATOM 147 O PRO A 320 47.109 -4.472 9.044 1.00 0.00 O ATOM 148 CB PRO A 320 46.537 -7.247 10.605 1.00 0.00 C ATOM 149 CG PRO A 320 45.554 -8.243 11.116 1.00 0.00 C ATOM 150 CD PRO A 320 44.326 -8.087 10.264 1.00 0.00 C ATOM 0 HA PRO A 320 45.592 -5.270 10.877 1.00 0.00 H new ATOM 0 HB2 PRO A 320 47.128 -7.658 9.786 1.00 0.00 H new ATOM 0 HB3 PRO A 320 47.237 -6.946 11.384 1.00 0.00 H new ATOM 0 HG2 PRO A 320 45.952 -9.255 11.046 1.00 0.00 H new ATOM 0 HG3 PRO A 320 45.326 -8.063 12.166 1.00 0.00 H new ATOM 0 HD2 PRO A 320 44.337 -8.770 9.415 1.00 0.00 H new ATOM 0 HD3 PRO A 320 43.417 -8.294 10.828 1.00 0.00 H new ATOM 158 N GLY A 321 45.957 -5.892 7.732 1.00 0.00 N ATOM 159 CA GLY A 321 46.499 -5.336 6.507 1.00 0.00 C ATOM 160 C GLY A 321 45.421 -4.993 5.497 1.00 0.00 C ATOM 161 O GLY A 321 45.669 -4.996 4.291 1.00 0.00 O ATOM 0 H GLY A 321 45.301 -6.662 7.600 1.00 0.00 H new ATOM 0 HA2 GLY A 321 47.071 -4.438 6.741 1.00 0.00 H new ATOM 0 HA3 GLY A 321 47.193 -6.050 6.064 1.00 0.00 H new ATOM 165 N ARG A 322 44.223 -4.695 5.989 1.00 0.00 N ATOM 166 CA ARG A 322 43.106 -4.348 5.118 1.00 0.00 C ATOM 167 C ARG A 322 42.932 -2.834 5.032 1.00 0.00 C ATOM 168 O ARG A 322 43.153 -2.118 6.009 1.00 0.00 O ATOM 169 CB ARG A 322 41.814 -4.995 5.624 1.00 0.00 C ATOM 170 CG ARG A 322 41.652 -6.445 5.195 1.00 0.00 C ATOM 171 CD ARG A 322 41.599 -6.580 3.680 1.00 0.00 C ATOM 172 NE ARG A 322 42.559 -7.565 3.187 1.00 0.00 N ATOM 173 CZ ARG A 322 42.352 -8.880 3.212 1.00 0.00 C ATOM 174 NH1 ARG A 322 41.222 -9.372 3.705 1.00 0.00 N ATOM 175 NH2 ARG A 322 43.278 -9.705 2.745 1.00 0.00 N ATOM 0 H ARG A 322 44.001 -4.687 6.984 1.00 0.00 H new ATOM 0 HA ARG A 322 43.326 -4.727 4.120 1.00 0.00 H new ATOM 0 HB2 ARG A 322 41.793 -4.942 6.713 1.00 0.00 H new ATOM 0 HB3 ARG A 322 40.963 -4.420 5.260 1.00 0.00 H new ATOM 0 HG2 ARG A 322 42.482 -7.035 5.584 1.00 0.00 H new ATOM 0 HG3 ARG A 322 40.739 -6.853 5.629 1.00 0.00 H new ATOM 0 HD2 ARG A 322 40.593 -6.870 3.376 1.00 0.00 H new ATOM 0 HD3 ARG A 322 41.804 -5.612 3.222 1.00 0.00 H new ATOM 0 HE ARG A 322 43.440 -7.225 2.801 1.00 0.00 H new ATOM 0 HH11 ARG A 322 40.507 -8.742 4.067 1.00 0.00 H new ATOM 0 HH12 ARG A 322 41.069 -10.380 3.721 1.00 0.00 H new ATOM 0 HH21 ARG A 322 44.149 -9.333 2.367 1.00 0.00 H new ATOM 0 HH22 ARG A 322 43.120 -10.712 2.764 1.00 0.00 H new ATOM 189 N ALA A 323 42.538 -2.355 3.857 1.00 0.00 N ATOM 190 CA ALA A 323 42.337 -0.927 3.642 1.00 0.00 C ATOM 191 C ALA A 323 40.870 -0.609 3.372 1.00 0.00 C ATOM 192 O ALA A 323 40.055 -1.509 3.174 1.00 0.00 O ATOM 193 CB ALA A 323 43.202 -0.442 2.489 1.00 0.00 C ATOM 0 H ALA A 323 42.352 -2.935 3.039 1.00 0.00 H new ATOM 0 HA ALA A 323 42.632 -0.405 4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.043 0.626 2.339 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.252 -0.623 2.720 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.933 -0.980 1.580 1.00 0.00 H new ATOM 199 N PHE A 324 40.544 0.679 3.366 1.00 0.00 N ATOM 200 CA PHE A 324 39.177 1.123 3.119 1.00 0.00 C ATOM 201 C PHE A 324 39.070 1.822 1.767 1.00 0.00 C ATOM 202 O PHE A 324 39.584 2.926 1.587 1.00 0.00 O ATOM 203 CB PHE A 324 38.717 2.068 4.230 1.00 0.00 C ATOM 204 CG PHE A 324 38.851 1.486 5.609 1.00 0.00 C ATOM 205 CD1 PHE A 324 38.218 0.298 5.938 1.00 0.00 C ATOM 206 CD2 PHE A 324 39.609 2.127 6.575 1.00 0.00 C ATOM 207 CE1 PHE A 324 38.338 -0.240 7.205 1.00 0.00 C ATOM 208 CE2 PHE A 324 39.733 1.594 7.843 1.00 0.00 C ATOM 209 CZ PHE A 324 39.097 0.409 8.159 1.00 0.00 C ATOM 0 H PHE A 324 41.209 1.435 3.530 1.00 0.00 H new ATOM 0 HA PHE A 324 38.532 0.244 3.108 1.00 0.00 H new ATOM 0 HB2 PHE A 324 39.297 2.989 4.176 1.00 0.00 H new ATOM 0 HB3 PHE A 324 37.675 2.337 4.058 1.00 0.00 H new ATOM 0 HD1 PHE A 324 37.624 -0.213 5.195 1.00 0.00 H new ATOM 0 HD2 PHE A 324 40.108 3.054 6.334 1.00 0.00 H new ATOM 0 HE1 PHE A 324 37.839 -1.166 7.449 1.00 0.00 H new ATOM 0 HE2 PHE A 324 40.327 2.103 8.587 1.00 0.00 H new ATOM 0 HZ PHE A 324 39.193 -0.009 9.150 1.00 0.00 H new ATOM 219 N VAL A 325 38.402 1.172 0.820 1.00 0.00 N ATOM 220 CA VAL A 325 38.229 1.732 -0.515 1.00 0.00 C ATOM 221 C VAL A 325 36.764 2.044 -0.797 1.00 0.00 C ATOM 222 O VAL A 325 35.897 1.182 -0.650 1.00 0.00 O ATOM 223 CB VAL A 325 38.756 0.774 -1.598 1.00 0.00 C ATOM 224 CG1 VAL A 325 40.275 0.799 -1.644 1.00 0.00 C ATOM 225 CG2 VAL A 325 38.245 -0.639 -1.357 1.00 0.00 C ATOM 0 H VAL A 325 37.972 0.257 0.952 1.00 0.00 H new ATOM 0 HA VAL A 325 38.806 2.657 -0.546 1.00 0.00 H new ATOM 0 HB VAL A 325 38.383 1.111 -2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 325 40.627 0.115 -2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 325 40.616 1.809 -1.871 1.00 0.00 H new ATOM 0 HG13 VAL A 325 40.673 0.491 -0.677 1.00 0.00 H new ATOM 0 HG21 VAL A 325 38.628 -1.302 -2.133 1.00 0.00 H new ATOM 0 HG22 VAL A 325 38.585 -0.987 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 325 37.155 -0.641 -1.384 1.00 0.00 H new ATOM 235 N THR A 326 36.494 3.280 -1.201 1.00 0.00 N ATOM 236 CA THR A 326 35.136 3.706 -1.503 1.00 0.00 C ATOM 237 C THR A 326 34.893 3.726 -3.010 1.00 0.00 C ATOM 238 O THR A 326 35.722 4.218 -3.775 1.00 0.00 O ATOM 239 CB THR A 326 34.868 5.091 -0.914 1.00 0.00 C ATOM 240 OG1 THR A 326 35.820 6.029 -1.383 1.00 0.00 O ATOM 241 CG2 THR A 326 34.909 5.115 0.599 1.00 0.00 C ATOM 0 H THR A 326 37.201 4.005 -1.327 1.00 0.00 H new ATOM 0 HA THR A 326 34.450 2.989 -1.052 1.00 0.00 H new ATOM 0 HB THR A 326 33.861 5.353 -1.240 1.00 0.00 H new ATOM 0 HG1 THR A 326 35.630 6.909 -0.996 1.00 0.00 H new ATOM 0 HG21 THR A 326 34.711 6.127 0.952 1.00 0.00 H new ATOM 0 HG22 THR A 326 34.152 4.438 0.994 1.00 0.00 H new ATOM 0 HG23 THR A 326 35.894 4.798 0.941 1.00 0.00 H new ATOM 249 N ILE A 327 33.751 3.191 -3.429 1.00 0.00 N ATOM 250 CA ILE A 327 33.400 3.149 -4.843 1.00 0.00 C ATOM 251 C ILE A 327 32.115 3.924 -5.114 1.00 0.00 C ATOM 252 O ILE A 327 31.309 4.147 -4.210 1.00 0.00 O ATOM 253 CB ILE A 327 33.227 1.701 -5.338 1.00 0.00 C ATOM 254 CG1 ILE A 327 34.433 0.852 -4.934 1.00 0.00 C ATOM 255 CG2 ILE A 327 33.038 1.675 -6.848 1.00 0.00 C ATOM 256 CD1 ILE A 327 34.254 0.138 -3.612 1.00 0.00 C ATOM 0 H ILE A 327 33.053 2.780 -2.809 1.00 0.00 H new ATOM 0 HA ILE A 327 34.223 3.614 -5.386 1.00 0.00 H new ATOM 0 HB ILE A 327 32.336 1.279 -4.872 1.00 0.00 H new ATOM 0 HG12 ILE A 327 34.625 0.114 -5.713 1.00 0.00 H new ATOM 0 HG13 ILE A 327 35.314 1.491 -4.876 1.00 0.00 H new ATOM 0 HG21 ILE A 327 32.917 0.644 -7.182 1.00 0.00 H new ATOM 0 HG22 ILE A 327 32.150 2.249 -7.113 1.00 0.00 H new ATOM 0 HG23 ILE A 327 33.911 2.113 -7.332 1.00 0.00 H new ATOM 0 HD11 ILE A 327 35.148 -0.445 -3.389 1.00 0.00 H new ATOM 0 HD12 ILE A 327 34.092 0.871 -2.822 1.00 0.00 H new ATOM 0 HD13 ILE A 327 33.393 -0.527 -3.672 1.00 0.00 H new ATOM 268 N GLY A 328 31.929 4.333 -6.365 1.00 0.00 N ATOM 269 CA GLY A 328 30.740 5.079 -6.733 1.00 0.00 C ATOM 270 C GLY A 328 31.061 6.311 -7.555 1.00 0.00 C ATOM 271 O GLY A 328 32.218 6.722 -7.645 1.00 0.00 O ATOM 0 H GLY A 328 32.581 4.161 -7.131 1.00 0.00 H new ATOM 0 HA2 GLY A 328 30.070 4.432 -7.299 1.00 0.00 H new ATOM 0 HA3 GLY A 328 30.208 5.377 -5.830 1.00 0.00 H new TER 275 GLY A 328