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 X(o=0,f=0) USER MOD Single : A 326 THR OG1 : rot 180:sc= -0.0291 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.626 5.562 -5.162 1.00 0.00 N ATOM 2 CA LYS A 312 27.285 5.603 -3.862 1.00 0.00 C ATOM 3 C LYS A 312 27.562 4.196 -3.347 1.00 0.00 C ATOM 4 O LYS A 312 26.641 3.464 -2.982 1.00 0.00 O ATOM 5 CB LYS A 312 26.424 6.368 -2.855 1.00 0.00 C ATOM 6 CG LYS A 312 26.538 7.878 -2.981 1.00 0.00 C ATOM 7 CD LYS A 312 27.641 8.433 -2.092 1.00 0.00 C ATOM 8 CE LYS A 312 27.072 9.217 -0.919 1.00 0.00 C ATOM 9 NZ LYS A 312 26.871 8.357 0.280 1.00 0.00 N ATOM 0 HA LYS A 312 28.237 6.119 -3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.381 6.078 -2.987 1.00 0.00 H new ATOM 0 HB3 LYS A 312 26.711 6.073 -1.846 1.00 0.00 H new ATOM 0 HG2 LYS A 312 26.739 8.143 -4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 312 25.587 8.339 -2.713 1.00 0.00 H new ATOM 0 HD2 LYS A 312 28.256 7.614 -1.719 1.00 0.00 H new ATOM 0 HD3 LYS A 312 28.293 9.079 -2.680 1.00 0.00 H new ATOM 0 HE2 LYS A 312 27.746 10.036 -0.669 1.00 0.00 H new ATOM 0 HE3 LYS A 312 26.121 9.664 -1.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 26.482 8.929 1.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 26.208 7.590 0.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 27.783 7.951 0.572 1.00 0.00 H new ATOM 23 N SER A 313 28.837 3.822 -3.318 1.00 0.00 N ATOM 24 CA SER A 313 29.237 2.502 -2.845 1.00 0.00 C ATOM 25 C SER A 313 30.610 2.558 -2.183 1.00 0.00 C ATOM 26 O SER A 313 31.516 3.238 -2.667 1.00 0.00 O ATOM 27 CB SER A 313 29.255 1.505 -4.006 1.00 0.00 C ATOM 28 OG SER A 313 28.068 0.732 -4.033 1.00 0.00 O ATOM 0 H SER A 313 29.611 4.415 -3.617 1.00 0.00 H new ATOM 0 HA SER A 313 28.509 2.170 -2.104 1.00 0.00 H new ATOM 0 HB2 SER A 313 29.365 2.042 -4.948 1.00 0.00 H new ATOM 0 HB3 SER A 313 30.119 0.847 -3.911 1.00 0.00 H new ATOM 0 HG SER A 313 28.104 0.104 -4.785 1.00 0.00 H new ATOM 34 N ILE A 314 30.759 1.842 -1.074 1.00 0.00 N ATOM 35 CA ILE A 314 32.023 1.815 -0.347 1.00 0.00 C ATOM 36 C ILE A 314 32.437 0.387 -0.015 1.00 0.00 C ATOM 37 O ILE A 314 31.611 -0.525 -0.004 1.00 0.00 O ATOM 38 CB ILE A 314 31.954 2.615 0.970 1.00 0.00 C ATOM 39 CG1 ILE A 314 30.956 3.769 0.858 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.333 3.138 1.341 1.00 0.00 C ATOM 41 CD1 ILE A 314 31.294 4.758 -0.236 1.00 0.00 C ATOM 0 H ILE A 314 30.021 1.273 -0.659 1.00 0.00 H new ATOM 0 HA ILE A 314 32.759 2.275 -1.006 1.00 0.00 H new ATOM 0 HB ILE A 314 31.609 1.946 1.758 1.00 0.00 H new ATOM 0 HG12 ILE A 314 29.962 3.362 0.674 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.913 4.295 1.812 1.00 0.00 H new ATOM 0 HG21 ILE A 314 33.270 3.701 2.272 1.00 0.00 H new ATOM 0 HG22 ILE A 314 34.018 2.300 1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.701 3.789 0.548 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.544 5.548 -0.257 1.00 0.00 H new ATOM 0 HD12 ILE A 314 32.274 5.194 -0.043 1.00 0.00 H new ATOM 0 HD13 ILE A 314 31.308 4.246 -1.198 1.00 0.00 H new ATOM 53 N ARG A 315 33.721 0.207 0.265 1.00 0.00 N ATOM 54 CA ARG A 315 34.250 -1.104 0.613 1.00 0.00 C ATOM 55 C ARG A 315 35.169 -1.002 1.824 1.00 0.00 C ATOM 56 O ARG A 315 36.393 -0.975 1.689 1.00 0.00 O ATOM 57 CB ARG A 315 35.007 -1.705 -0.572 1.00 0.00 C ATOM 58 CG ARG A 315 35.137 -3.218 -0.507 1.00 0.00 C ATOM 59 CD ARG A 315 33.848 -3.906 -0.923 1.00 0.00 C ATOM 60 NE ARG A 315 33.532 -3.670 -2.330 1.00 0.00 N ATOM 61 CZ ARG A 315 32.686 -4.417 -3.036 1.00 0.00 C ATOM 62 NH1 ARG A 315 32.071 -5.450 -2.471 1.00 0.00 N ATOM 63 NH2 ARG A 315 32.454 -4.132 -4.310 1.00 0.00 N ATOM 0 H ARG A 315 34.416 0.954 0.258 1.00 0.00 H new ATOM 0 HA ARG A 315 33.414 -1.757 0.862 1.00 0.00 H new ATOM 0 HB2 ARG A 315 34.496 -1.432 -1.495 1.00 0.00 H new ATOM 0 HB3 ARG A 315 36.003 -1.265 -0.617 1.00 0.00 H new ATOM 0 HG2 ARG A 315 35.950 -3.543 -1.157 1.00 0.00 H new ATOM 0 HG3 ARG A 315 35.400 -3.518 0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 315 33.935 -4.978 -0.746 1.00 0.00 H new ATOM 0 HD3 ARG A 315 33.028 -3.546 -0.302 1.00 0.00 H new ATOM 0 HE ARG A 315 33.987 -2.887 -2.799 1.00 0.00 H new ATOM 0 HH11 ARG A 315 32.246 -5.674 -1.491 1.00 0.00 H new ATOM 0 HH12 ARG A 315 31.424 -6.019 -3.017 1.00 0.00 H new ATOM 0 HH21 ARG A 315 32.924 -3.340 -4.749 1.00 0.00 H new ATOM 0 HH22 ARG A 315 31.806 -4.704 -4.851 1.00 0.00 H new ATOM 77 N ILE A 316 34.568 -0.939 3.007 1.00 0.00 N ATOM 78 CA ILE A 316 35.327 -0.831 4.247 1.00 0.00 C ATOM 79 C ILE A 316 35.114 -2.050 5.136 1.00 0.00 C ATOM 80 O ILE A 316 33.979 -2.412 5.451 1.00 0.00 O ATOM 81 CB ILE A 316 34.944 0.438 5.031 1.00 0.00 C ATOM 82 CG1 ILE A 316 33.449 0.726 4.889 1.00 0.00 C ATOM 83 CG2 ILE A 316 35.765 1.625 4.550 1.00 0.00 C ATOM 84 CD1 ILE A 316 33.008 1.969 5.626 1.00 0.00 C ATOM 0 H ILE A 316 33.556 -0.961 3.133 1.00 0.00 H new ATOM 0 HA ILE A 316 36.379 -0.773 3.967 1.00 0.00 H new ATOM 0 HB ILE A 316 35.162 0.272 6.086 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.205 0.833 3.832 1.00 0.00 H new ATOM 0 HG13 ILE A 316 32.884 -0.129 5.261 1.00 0.00 H new ATOM 0 HG21 ILE A 316 35.483 2.515 5.113 1.00 0.00 H new ATOM 0 HG22 ILE A 316 36.825 1.420 4.702 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.576 1.792 3.490 1.00 0.00 H new ATOM 0 HD11 ILE A 316 31.937 2.116 5.484 1.00 0.00 H new ATOM 0 HD12 ILE A 316 33.221 1.857 6.689 1.00 0.00 H new ATOM 0 HD13 ILE A 316 33.547 2.833 5.237 1.00 0.00 H new ATOM 96 N GLN A 317 36.213 -2.680 5.541 1.00 0.00 N ATOM 97 CA GLN A 317 36.150 -3.858 6.397 1.00 0.00 C ATOM 98 C GLN A 317 37.385 -3.950 7.286 1.00 0.00 C ATOM 99 O GLN A 317 38.497 -3.649 6.852 1.00 0.00 O ATOM 100 CB GLN A 317 36.022 -5.125 5.548 1.00 0.00 C ATOM 101 CG GLN A 317 37.193 -5.348 4.606 1.00 0.00 C ATOM 102 CD GLN A 317 36.884 -4.930 3.182 1.00 0.00 C ATOM 103 OE1 GLN A 317 36.232 -5.661 2.436 1.00 0.00 O ATOM 104 NE2 GLN A 317 37.351 -3.748 2.797 1.00 0.00 N ATOM 0 H GLN A 317 37.159 -2.393 5.289 1.00 0.00 H new ATOM 0 HA GLN A 317 35.271 -3.767 7.035 1.00 0.00 H new ATOM 0 HB2 GLN A 317 35.929 -5.987 6.209 1.00 0.00 H new ATOM 0 HB3 GLN A 317 35.103 -5.070 4.965 1.00 0.00 H new ATOM 0 HG2 GLN A 317 38.056 -4.788 4.966 1.00 0.00 H new ATOM 0 HG3 GLN A 317 37.469 -6.402 4.619 1.00 0.00 H new ATOM 0 HE21 GLN A 317 37.887 -3.175 3.448 1.00 0.00 H new ATOM 0 HE22 GLN A 317 37.174 -3.414 1.850 1.00 0.00 H new ATOM 113 N ARG A 318 37.184 -4.365 8.532 1.00 0.00 N ATOM 114 CA ARG A 318 38.283 -4.494 9.480 1.00 0.00 C ATOM 115 C ARG A 318 38.898 -5.888 9.417 1.00 0.00 C ATOM 116 O ARG A 318 38.323 -6.805 8.828 1.00 0.00 O ATOM 117 CB ARG A 318 37.791 -4.206 10.900 1.00 0.00 C ATOM 118 CG ARG A 318 36.797 -5.233 11.421 1.00 0.00 C ATOM 119 CD ARG A 318 35.890 -4.643 12.489 1.00 0.00 C ATOM 120 NE ARG A 318 36.639 -3.876 13.482 1.00 0.00 N ATOM 121 CZ ARG A 318 36.215 -3.654 14.724 1.00 0.00 C ATOM 122 NH1 ARG A 318 35.043 -4.129 15.130 1.00 0.00 N ATOM 123 NH2 ARG A 318 36.964 -2.952 15.564 1.00 0.00 N ATOM 0 H ARG A 318 36.270 -4.618 8.908 1.00 0.00 H new ATOM 0 HA ARG A 318 39.050 -3.767 9.211 1.00 0.00 H new ATOM 0 HB2 ARG A 318 38.648 -4.169 11.572 1.00 0.00 H new ATOM 0 HB3 ARG A 318 37.327 -3.220 10.922 1.00 0.00 H new ATOM 0 HG2 ARG A 318 36.192 -5.606 10.595 1.00 0.00 H new ATOM 0 HG3 ARG A 318 37.336 -6.086 11.832 1.00 0.00 H new ATOM 0 HD2 ARG A 318 35.147 -3.999 12.018 1.00 0.00 H new ATOM 0 HD3 ARG A 318 35.346 -5.446 12.986 1.00 0.00 H new ATOM 0 HE ARG A 318 37.541 -3.487 13.207 1.00 0.00 H new ATOM 0 HH11 ARG A 318 34.461 -4.668 14.489 1.00 0.00 H new ATOM 0 HH12 ARG A 318 34.725 -3.955 16.083 1.00 0.00 H new ATOM 0 HH21 ARG A 318 37.864 -2.583 15.258 1.00 0.00 H new ATOM 0 HH22 ARG A 318 36.640 -2.781 16.516 1.00 0.00 H new ATOM 137 N GLY A 319 40.068 -6.041 10.025 1.00 0.00 N ATOM 138 CA GLY A 319 40.743 -7.325 10.027 1.00 0.00 C ATOM 139 C GLY A 319 42.202 -7.214 9.620 1.00 0.00 C ATOM 140 O GLY A 319 42.546 -6.401 8.762 1.00 0.00 O ATOM 0 H GLY A 319 40.562 -5.297 10.518 1.00 0.00 H new ATOM 0 HA2 GLY A 319 40.679 -7.764 11.023 1.00 0.00 H new ATOM 0 HA3 GLY A 319 40.229 -8.003 9.346 1.00 0.00 H new ATOM 144 N PRO A 320 43.091 -8.024 10.221 1.00 0.00 N ATOM 145 CA PRO A 320 44.523 -7.998 9.903 1.00 0.00 C ATOM 146 C PRO A 320 44.786 -8.160 8.410 1.00 0.00 C ATOM 147 O PRO A 320 44.784 -9.274 7.886 1.00 0.00 O ATOM 148 CB PRO A 320 45.084 -9.194 10.677 1.00 0.00 C ATOM 149 CG PRO A 320 44.123 -9.410 11.793 1.00 0.00 C ATOM 150 CD PRO A 320 42.772 -9.026 11.257 1.00 0.00 C ATOM 0 HA PRO A 320 44.982 -7.047 10.173 1.00 0.00 H new ATOM 0 HB2 PRO A 320 45.157 -10.077 10.042 1.00 0.00 H new ATOM 0 HB3 PRO A 320 46.086 -8.987 11.053 1.00 0.00 H new ATOM 0 HG2 PRO A 320 44.132 -10.450 12.120 1.00 0.00 H new ATOM 0 HG3 PRO A 320 44.387 -8.802 12.658 1.00 0.00 H new ATOM 0 HD2 PRO A 320 42.246 -9.884 10.838 1.00 0.00 H new ATOM 0 HD3 PRO A 320 42.133 -8.610 12.036 1.00 0.00 H new ATOM 158 N GLY A 321 45.016 -7.041 7.730 1.00 0.00 N ATOM 159 CA GLY A 321 45.280 -7.082 6.303 1.00 0.00 C ATOM 160 C GLY A 321 44.095 -6.621 5.478 1.00 0.00 C ATOM 161 O GLY A 321 43.916 -7.053 4.340 1.00 0.00 O ATOM 0 H GLY A 321 45.024 -6.108 8.141 1.00 0.00 H new ATOM 0 HA2 GLY A 321 46.141 -6.453 6.078 1.00 0.00 H new ATOM 0 HA3 GLY A 321 45.545 -8.099 6.015 1.00 0.00 H new ATOM 165 N ARG A 322 43.280 -5.741 6.054 1.00 0.00 N ATOM 166 CA ARG A 322 42.106 -5.221 5.363 1.00 0.00 C ATOM 167 C ARG A 322 42.270 -3.737 5.052 1.00 0.00 C ATOM 168 O ARG A 322 42.528 -2.930 5.944 1.00 0.00 O ATOM 169 CB ARG A 322 40.851 -5.439 6.211 1.00 0.00 C ATOM 170 CG ARG A 322 40.434 -6.898 6.316 1.00 0.00 C ATOM 171 CD ARG A 322 40.036 -7.466 4.963 1.00 0.00 C ATOM 172 NE ARG A 322 40.953 -8.513 4.518 1.00 0.00 N ATOM 173 CZ ARG A 322 41.045 -8.930 3.257 1.00 0.00 C ATOM 174 NH1 ARG A 322 40.280 -8.393 2.315 1.00 0.00 N ATOM 175 NH2 ARG A 322 41.906 -9.887 2.938 1.00 0.00 N ATOM 0 H ARG A 322 43.412 -5.374 6.997 1.00 0.00 H new ATOM 0 HA ARG A 322 42.000 -5.762 4.423 1.00 0.00 H new ATOM 0 HB2 ARG A 322 41.027 -5.047 7.213 1.00 0.00 H new ATOM 0 HB3 ARG A 322 40.029 -4.865 5.783 1.00 0.00 H new ATOM 0 HG2 ARG A 322 41.256 -7.483 6.729 1.00 0.00 H new ATOM 0 HG3 ARG A 322 39.598 -6.989 7.009 1.00 0.00 H new ATOM 0 HD2 ARG A 322 39.026 -7.870 5.023 1.00 0.00 H new ATOM 0 HD3 ARG A 322 40.016 -6.664 4.225 1.00 0.00 H new ATOM 0 HE ARG A 322 41.558 -8.950 5.214 1.00 0.00 H new ATOM 0 HH11 ARG A 322 39.617 -7.656 2.555 1.00 0.00 H new ATOM 0 HH12 ARG A 322 40.355 -8.717 1.351 1.00 0.00 H new ATOM 0 HH21 ARG A 322 42.497 -10.303 3.658 1.00 0.00 H new ATOM 0 HH22 ARG A 322 41.978 -10.207 1.972 1.00 0.00 H new ATOM 189 N ALA A 323 42.118 -3.384 3.780 1.00 0.00 N ATOM 190 CA ALA A 323 42.248 -1.997 3.350 1.00 0.00 C ATOM 191 C ALA A 323 40.882 -1.382 3.064 1.00 0.00 C ATOM 192 O ALA A 323 39.923 -2.091 2.760 1.00 0.00 O ATOM 193 CB ALA A 323 43.138 -1.907 2.119 1.00 0.00 C ATOM 0 H ALA A 323 41.905 -4.040 3.029 1.00 0.00 H new ATOM 0 HA ALA A 323 42.710 -1.432 4.160 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.226 -0.866 1.809 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.127 -2.300 2.355 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.699 -2.491 1.310 1.00 0.00 H new ATOM 199 N PHE A 324 40.801 -0.058 3.163 1.00 0.00 N ATOM 200 CA PHE A 324 39.551 0.651 2.915 1.00 0.00 C ATOM 201 C PHE A 324 39.498 1.175 1.484 1.00 0.00 C ATOM 202 O PHE A 324 40.491 1.681 0.959 1.00 0.00 O ATOM 203 CB PHE A 324 39.393 1.809 3.903 1.00 0.00 C ATOM 204 CG PHE A 324 39.453 1.380 5.342 1.00 0.00 C ATOM 205 CD1 PHE A 324 38.550 0.454 5.840 1.00 0.00 C ATOM 206 CD2 PHE A 324 40.410 1.904 6.195 1.00 0.00 C ATOM 207 CE1 PHE A 324 38.603 0.058 7.162 1.00 0.00 C ATOM 208 CE2 PHE A 324 40.467 1.512 7.519 1.00 0.00 C ATOM 209 CZ PHE A 324 39.563 0.588 8.003 1.00 0.00 C ATOM 0 H PHE A 324 41.585 0.544 3.413 1.00 0.00 H new ATOM 0 HA PHE A 324 38.729 -0.051 3.055 1.00 0.00 H new ATOM 0 HB2 PHE A 324 40.177 2.544 3.718 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.440 2.306 3.719 1.00 0.00 H new ATOM 0 HD1 PHE A 324 37.797 0.038 5.187 1.00 0.00 H new ATOM 0 HD2 PHE A 324 41.120 2.627 5.821 1.00 0.00 H new ATOM 0 HE1 PHE A 324 37.895 -0.665 7.538 1.00 0.00 H new ATOM 0 HE2 PHE A 324 41.218 1.928 8.174 1.00 0.00 H new ATOM 0 HZ PHE A 324 39.606 0.280 9.037 1.00 0.00 H new ATOM 219 N VAL A 325 38.334 1.051 0.858 1.00 0.00 N ATOM 220 CA VAL A 325 38.148 1.511 -0.514 1.00 0.00 C ATOM 221 C VAL A 325 36.762 2.117 -0.704 1.00 0.00 C ATOM 222 O VAL A 325 35.860 1.891 0.102 1.00 0.00 O ATOM 223 CB VAL A 325 38.337 0.361 -1.524 1.00 0.00 C ATOM 224 CG1 VAL A 325 38.485 0.907 -2.936 1.00 0.00 C ATOM 225 CG2 VAL A 325 39.539 -0.493 -1.147 1.00 0.00 C ATOM 0 H VAL A 325 37.503 0.635 1.279 1.00 0.00 H new ATOM 0 HA VAL A 325 38.905 2.273 -0.699 1.00 0.00 H new ATOM 0 HB VAL A 325 37.449 -0.270 -1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 325 38.617 0.080 -3.634 1.00 0.00 H new ATOM 0 HG12 VAL A 325 37.590 1.469 -3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 325 39.354 1.564 -2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 325 39.655 -1.299 -1.872 1.00 0.00 H new ATOM 0 HG22 VAL A 325 40.437 0.124 -1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 325 39.387 -0.917 -0.155 1.00 0.00 H new ATOM 235 N THR A 326 36.597 2.888 -1.775 1.00 0.00 N ATOM 236 CA THR A 326 35.319 3.522 -2.068 1.00 0.00 C ATOM 237 C THR A 326 35.124 3.686 -3.572 1.00 0.00 C ATOM 238 O THR A 326 36.089 3.803 -4.326 1.00 0.00 O ATOM 239 CB THR A 326 35.227 4.884 -1.377 1.00 0.00 C ATOM 240 OG1 THR A 326 34.177 5.659 -1.931 1.00 0.00 O ATOM 241 CG2 THR A 326 36.500 5.697 -1.477 1.00 0.00 C ATOM 0 H THR A 326 37.333 3.088 -2.453 1.00 0.00 H new ATOM 0 HA THR A 326 34.528 2.877 -1.686 1.00 0.00 H new ATOM 0 HB THR A 326 35.041 4.660 -0.326 1.00 0.00 H new ATOM 0 HG1 THR A 326 34.134 6.525 -1.475 1.00 0.00 H new ATOM 0 HG21 THR A 326 36.364 6.650 -0.966 1.00 0.00 H new ATOM 0 HG22 THR A 326 37.319 5.149 -1.011 1.00 0.00 H new ATOM 0 HG23 THR A 326 36.735 5.878 -2.526 1.00 0.00 H new ATOM 249 N ILE A 327 33.865 3.690 -3.999 1.00 0.00 N ATOM 250 CA ILE A 327 33.537 3.836 -5.408 1.00 0.00 C ATOM 251 C ILE A 327 32.374 4.806 -5.601 1.00 0.00 C ATOM 252 O ILE A 327 31.483 4.897 -4.757 1.00 0.00 O ATOM 253 CB ILE A 327 33.172 2.477 -6.038 1.00 0.00 C ATOM 254 CG1 ILE A 327 32.859 2.646 -7.525 1.00 0.00 C ATOM 255 CG2 ILE A 327 31.993 1.852 -5.309 1.00 0.00 C ATOM 256 CD1 ILE A 327 33.259 1.455 -8.369 1.00 0.00 C ATOM 0 H ILE A 327 33.056 3.593 -3.386 1.00 0.00 H new ATOM 0 HA ILE A 327 34.422 4.233 -5.905 1.00 0.00 H new ATOM 0 HB ILE A 327 34.027 1.808 -5.941 1.00 0.00 H new ATOM 0 HG12 ILE A 327 31.790 2.823 -7.645 1.00 0.00 H new ATOM 0 HG13 ILE A 327 33.372 3.533 -7.897 1.00 0.00 H new ATOM 0 HG21 ILE A 327 31.749 0.893 -5.767 1.00 0.00 H new ATOM 0 HG22 ILE A 327 32.253 1.698 -4.262 1.00 0.00 H new ATOM 0 HG23 ILE A 327 31.131 2.516 -5.375 1.00 0.00 H new ATOM 0 HD11 ILE A 327 33.007 1.647 -9.412 1.00 0.00 H new ATOM 0 HD12 ILE A 327 34.333 1.290 -8.280 1.00 0.00 H new ATOM 0 HD13 ILE A 327 32.726 0.569 -8.024 1.00 0.00 H new ATOM 268 N GLY A 328 32.390 5.528 -6.716 1.00 0.00 N ATOM 269 CA GLY A 328 31.332 6.481 -6.998 1.00 0.00 C ATOM 270 C GLY A 328 31.860 7.780 -7.575 1.00 0.00 C ATOM 271 O GLY A 328 33.071 7.990 -7.643 1.00 0.00 O ATOM 0 H GLY A 328 33.116 5.471 -7.430 1.00 0.00 H new ATOM 0 HA2 GLY A 328 30.625 6.037 -7.698 1.00 0.00 H new ATOM 0 HA3 GLY A 328 30.783 6.691 -6.080 1.00 0.00 H new TER 275 GLY A 328