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 32:sc= 0.0781 USER MOD Single : A 317 GLN : amide:sc= -0.148 X(o=-0.15,f=-0.03) USER MOD Single : A 326 THR OG1 : rot 180:sc= -0.0698 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.171 4.969 -4.919 1.00 0.00 N ATOM 2 CA LYS A 312 26.927 5.071 -3.675 1.00 0.00 C ATOM 3 C LYS A 312 27.198 3.691 -3.086 1.00 0.00 C ATOM 4 O LYS A 312 26.284 3.020 -2.603 1.00 0.00 O ATOM 5 CB LYS A 312 26.167 5.930 -2.663 1.00 0.00 C ATOM 6 CG LYS A 312 26.086 7.397 -3.050 1.00 0.00 C ATOM 7 CD LYS A 312 27.138 8.225 -2.327 1.00 0.00 C ATOM 8 CE LYS A 312 27.738 9.284 -3.237 1.00 0.00 C ATOM 9 NZ LYS A 312 27.919 10.584 -2.534 1.00 0.00 N ATOM 0 HA LYS A 312 27.884 5.543 -3.898 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.157 5.536 -2.551 1.00 0.00 H new ATOM 0 HB3 LYS A 312 26.652 5.846 -1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 312 26.220 7.498 -4.127 1.00 0.00 H new ATOM 0 HG3 LYS A 312 25.094 7.782 -2.814 1.00 0.00 H new ATOM 0 HD2 LYS A 312 26.690 8.704 -1.456 1.00 0.00 H new ATOM 0 HD3 LYS A 312 27.928 7.570 -1.959 1.00 0.00 H new ATOM 0 HE2 LYS A 312 28.701 8.937 -3.612 1.00 0.00 H new ATOM 0 HE3 LYS A 312 27.092 9.427 -4.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 28.330 11.279 -3.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 26.997 10.928 -2.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 28.556 10.454 -1.722 1.00 0.00 H new ATOM 23 N SER A 313 28.458 3.273 -3.126 1.00 0.00 N ATOM 24 CA SER A 313 28.852 1.973 -2.595 1.00 0.00 C ATOM 25 C SER A 313 30.289 2.010 -2.085 1.00 0.00 C ATOM 26 O SER A 313 31.224 2.245 -2.851 1.00 0.00 O ATOM 27 CB SER A 313 28.706 0.893 -3.668 1.00 0.00 C ATOM 28 OG SER A 313 27.432 0.279 -3.603 1.00 0.00 O ATOM 0 H SER A 313 29.225 3.816 -3.521 1.00 0.00 H new ATOM 0 HA SER A 313 28.194 1.734 -1.760 1.00 0.00 H new ATOM 0 HB2 SER A 313 28.851 1.334 -4.654 1.00 0.00 H new ATOM 0 HB3 SER A 313 29.483 0.140 -3.538 1.00 0.00 H new ATOM 0 HG SER A 313 26.770 0.931 -3.290 1.00 0.00 H new ATOM 34 N ILE A 314 30.459 1.780 -0.787 1.00 0.00 N ATOM 35 CA ILE A 314 31.785 1.791 -0.179 1.00 0.00 C ATOM 36 C ILE A 314 32.268 0.379 0.119 1.00 0.00 C ATOM 37 O ILE A 314 31.474 -0.557 0.212 1.00 0.00 O ATOM 38 CB ILE A 314 31.813 2.595 1.138 1.00 0.00 C ATOM 39 CG1 ILE A 314 30.797 3.738 1.105 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.212 3.135 1.395 1.00 0.00 C ATOM 41 CD1 ILE A 314 31.100 4.788 0.058 1.00 0.00 C ATOM 0 H ILE A 314 29.697 1.584 -0.137 1.00 0.00 H new ATOM 0 HA ILE A 314 32.444 2.267 -0.905 1.00 0.00 H new ATOM 0 HB ILE A 314 31.539 1.924 1.953 1.00 0.00 H new ATOM 0 HG12 ILE A 314 29.805 3.326 0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.765 4.213 2.085 1.00 0.00 H new ATOM 0 HG21 ILE A 314 33.218 3.700 2.327 1.00 0.00 H new ATOM 0 HG22 ILE A 314 33.914 2.305 1.469 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.507 3.787 0.573 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.338 5.567 0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 314 32.078 5.228 0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 314 31.103 4.327 -0.930 1.00 0.00 H new ATOM 53 N ARG A 315 33.577 0.238 0.282 1.00 0.00 N ATOM 54 CA ARG A 315 34.175 -1.053 0.587 1.00 0.00 C ATOM 55 C ARG A 315 35.233 -0.900 1.673 1.00 0.00 C ATOM 56 O ARG A 315 36.429 -0.849 1.389 1.00 0.00 O ATOM 57 CB ARG A 315 34.796 -1.667 -0.669 1.00 0.00 C ATOM 58 CG ARG A 315 33.800 -2.431 -1.527 1.00 0.00 C ATOM 59 CD ARG A 315 33.562 -3.836 -0.994 1.00 0.00 C ATOM 60 NE ARG A 315 32.164 -4.051 -0.626 1.00 0.00 N ATOM 61 CZ ARG A 315 31.198 -4.315 -1.503 1.00 0.00 C ATOM 62 NH1 ARG A 315 31.474 -4.394 -2.799 1.00 0.00 N ATOM 63 NH2 ARG A 315 29.954 -4.499 -1.084 1.00 0.00 N ATOM 0 H ARG A 315 34.246 1.005 0.208 1.00 0.00 H new ATOM 0 HA ARG A 315 33.392 -1.719 0.948 1.00 0.00 H new ATOM 0 HB2 ARG A 315 35.246 -0.874 -1.267 1.00 0.00 H new ATOM 0 HB3 ARG A 315 35.601 -2.340 -0.375 1.00 0.00 H new ATOM 0 HG2 ARG A 315 32.855 -1.889 -1.559 1.00 0.00 H new ATOM 0 HG3 ARG A 315 34.169 -2.488 -2.551 1.00 0.00 H new ATOM 0 HD2 ARG A 315 33.854 -4.565 -1.750 1.00 0.00 H new ATOM 0 HD3 ARG A 315 34.196 -4.006 -0.124 1.00 0.00 H new ATOM 0 HE ARG A 315 31.914 -3.995 0.361 1.00 0.00 H new ATOM 0 HH11 ARG A 315 32.430 -4.252 -3.127 1.00 0.00 H new ATOM 0 HH12 ARG A 315 30.731 -4.597 -3.467 1.00 0.00 H new ATOM 0 HH21 ARG A 315 29.737 -4.438 -0.089 1.00 0.00 H new ATOM 0 HH22 ARG A 315 29.214 -4.701 -1.756 1.00 0.00 H new ATOM 77 N ILE A 316 34.779 -0.817 2.920 1.00 0.00 N ATOM 78 CA ILE A 316 35.680 -0.658 4.054 1.00 0.00 C ATOM 79 C ILE A 316 35.662 -1.887 4.956 1.00 0.00 C ATOM 80 O ILE A 316 34.629 -2.236 5.528 1.00 0.00 O ATOM 81 CB ILE A 316 35.322 0.586 4.891 1.00 0.00 C ATOM 82 CG1 ILE A 316 33.808 0.785 4.944 1.00 0.00 C ATOM 83 CG2 ILE A 316 36.001 1.821 4.317 1.00 0.00 C ATOM 84 CD1 ILE A 316 33.393 1.939 5.826 1.00 0.00 C ATOM 0 H ILE A 316 33.791 -0.857 3.170 1.00 0.00 H new ATOM 0 HA ILE A 316 36.681 -0.532 3.641 1.00 0.00 H new ATOM 0 HB ILE A 316 35.681 0.431 5.908 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.434 0.954 3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 316 33.340 -0.130 5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 316 35.740 2.692 4.918 1.00 0.00 H new ATOM 0 HG22 ILE A 316 37.082 1.682 4.331 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.668 1.975 3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 316 32.307 2.028 5.822 1.00 0.00 H new ATOM 0 HD12 ILE A 316 33.738 1.761 6.844 1.00 0.00 H new ATOM 0 HD13 ILE A 316 33.834 2.862 5.449 1.00 0.00 H new ATOM 96 N GLN A 317 36.813 -2.540 5.078 1.00 0.00 N ATOM 97 CA GLN A 317 36.936 -3.730 5.911 1.00 0.00 C ATOM 98 C GLN A 317 38.123 -3.607 6.860 1.00 0.00 C ATOM 99 O GLN A 317 39.217 -3.213 6.454 1.00 0.00 O ATOM 100 CB GLN A 317 37.094 -4.976 5.037 1.00 0.00 C ATOM 101 CG GLN A 317 36.091 -5.053 3.897 1.00 0.00 C ATOM 102 CD GLN A 317 36.739 -5.406 2.572 1.00 0.00 C ATOM 103 OE1 GLN A 317 36.326 -6.349 1.898 1.00 0.00 O ATOM 104 NE2 GLN A 317 37.760 -4.646 2.192 1.00 0.00 N ATOM 0 H GLN A 317 37.676 -2.264 4.609 1.00 0.00 H new ATOM 0 HA GLN A 317 36.027 -3.824 6.504 1.00 0.00 H new ATOM 0 HB2 GLN A 317 38.103 -4.994 4.624 1.00 0.00 H new ATOM 0 HB3 GLN A 317 36.990 -5.863 5.662 1.00 0.00 H new ATOM 0 HG2 GLN A 317 35.332 -5.798 4.136 1.00 0.00 H new ATOM 0 HG3 GLN A 317 35.579 -4.095 3.803 1.00 0.00 H new ATOM 0 HE21 GLN A 317 38.069 -3.874 2.783 1.00 0.00 H new ATOM 0 HE22 GLN A 317 38.235 -4.834 1.309 1.00 0.00 H new ATOM 113 N ARG A 318 37.901 -3.944 8.126 1.00 0.00 N ATOM 114 CA ARG A 318 38.954 -3.870 9.133 1.00 0.00 C ATOM 115 C ARG A 318 39.631 -5.225 9.315 1.00 0.00 C ATOM 116 O ARG A 318 39.032 -6.269 9.057 1.00 0.00 O ATOM 117 CB ARG A 318 38.379 -3.389 10.466 1.00 0.00 C ATOM 118 CG ARG A 318 38.413 -1.879 10.635 1.00 0.00 C ATOM 119 CD ARG A 318 37.171 -1.369 11.346 1.00 0.00 C ATOM 120 NE ARG A 318 36.889 -2.123 12.565 1.00 0.00 N ATOM 121 CZ ARG A 318 35.891 -1.838 13.398 1.00 0.00 C ATOM 122 NH1 ARG A 318 35.080 -0.818 13.150 1.00 0.00 N ATOM 123 NH2 ARG A 318 35.705 -2.576 14.485 1.00 0.00 N ATOM 0 H ARG A 318 37.002 -4.271 8.479 1.00 0.00 H new ATOM 0 HA ARG A 318 39.702 -3.156 8.789 1.00 0.00 H new ATOM 0 HB2 ARG A 318 37.348 -3.733 10.552 1.00 0.00 H new ATOM 0 HB3 ARG A 318 38.938 -3.850 11.280 1.00 0.00 H new ATOM 0 HG2 ARG A 318 39.300 -1.595 11.202 1.00 0.00 H new ATOM 0 HG3 ARG A 318 38.494 -1.404 9.657 1.00 0.00 H new ATOM 0 HD2 ARG A 318 37.302 -0.316 11.594 1.00 0.00 H new ATOM 0 HD3 ARG A 318 36.316 -1.434 10.673 1.00 0.00 H new ATOM 0 HE ARG A 318 37.492 -2.914 12.791 1.00 0.00 H new ATOM 0 HH11 ARG A 318 35.219 -0.247 12.317 1.00 0.00 H new ATOM 0 HH12 ARG A 318 34.317 -0.605 13.793 1.00 0.00 H new ATOM 0 HH21 ARG A 318 36.327 -3.361 14.681 1.00 0.00 H new ATOM 0 HH22 ARG A 318 34.941 -2.359 15.124 1.00 0.00 H new ATOM 137 N GLY A 319 40.882 -5.199 9.762 1.00 0.00 N ATOM 138 CA GLY A 319 41.620 -6.430 9.971 1.00 0.00 C ATOM 139 C GLY A 319 43.117 -6.247 9.794 1.00 0.00 C ATOM 140 O GLY A 319 43.563 -5.203 9.320 1.00 0.00 O ATOM 0 H GLY A 319 41.398 -4.347 9.983 1.00 0.00 H new ATOM 0 HA2 GLY A 319 41.419 -6.804 10.975 1.00 0.00 H new ATOM 0 HA3 GLY A 319 41.264 -7.186 9.271 1.00 0.00 H new ATOM 144 N PRO A 320 43.923 -7.255 10.168 1.00 0.00 N ATOM 145 CA PRO A 320 45.383 -7.187 10.041 1.00 0.00 C ATOM 146 C PRO A 320 45.836 -7.164 8.586 1.00 0.00 C ATOM 147 O PRO A 320 45.969 -8.210 7.950 1.00 0.00 O ATOM 148 CB PRO A 320 45.865 -8.466 10.732 1.00 0.00 C ATOM 149 CG PRO A 320 44.706 -9.398 10.659 1.00 0.00 C ATOM 150 CD PRO A 320 43.477 -8.538 10.741 1.00 0.00 C ATOM 0 HA PRO A 320 45.787 -6.275 10.480 1.00 0.00 H new ATOM 0 HB2 PRO A 320 46.739 -8.881 10.230 1.00 0.00 H new ATOM 0 HB3 PRO A 320 46.153 -8.273 11.765 1.00 0.00 H new ATOM 0 HG2 PRO A 320 44.722 -9.968 9.730 1.00 0.00 H new ATOM 0 HG3 PRO A 320 44.733 -10.119 11.476 1.00 0.00 H new ATOM 0 HD2 PRO A 320 42.649 -8.965 10.176 1.00 0.00 H new ATOM 0 HD3 PRO A 320 43.135 -8.422 11.769 1.00 0.00 H new ATOM 158 N GLY A 321 46.071 -5.965 8.063 1.00 0.00 N ATOM 159 CA GLY A 321 46.507 -5.828 6.686 1.00 0.00 C ATOM 160 C GLY A 321 45.358 -5.536 5.741 1.00 0.00 C ATOM 161 O GLY A 321 45.419 -5.870 4.558 1.00 0.00 O ATOM 0 H GLY A 321 45.967 -5.085 8.569 1.00 0.00 H new ATOM 0 HA2 GLY A 321 47.242 -5.026 6.619 1.00 0.00 H new ATOM 0 HA3 GLY A 321 47.007 -6.745 6.373 1.00 0.00 H new ATOM 165 N ARG A 322 44.308 -4.911 6.264 1.00 0.00 N ATOM 166 CA ARG A 322 43.140 -4.574 5.457 1.00 0.00 C ATOM 167 C ARG A 322 43.139 -3.093 5.092 1.00 0.00 C ATOM 168 O ARG A 322 43.580 -2.251 5.875 1.00 0.00 O ATOM 169 CB ARG A 322 41.856 -4.926 6.209 1.00 0.00 C ATOM 170 CG ARG A 322 41.679 -6.418 6.446 1.00 0.00 C ATOM 171 CD ARG A 322 40.239 -6.852 6.221 1.00 0.00 C ATOM 172 NE ARG A 322 40.053 -8.279 6.471 1.00 0.00 N ATOM 173 CZ ARG A 322 39.016 -8.981 6.021 1.00 0.00 C ATOM 174 NH1 ARG A 322 38.069 -8.393 5.299 1.00 0.00 N ATOM 175 NH2 ARG A 322 38.922 -10.275 6.294 1.00 0.00 N ATOM 0 H ARG A 322 44.242 -4.628 7.242 1.00 0.00 H new ATOM 0 HA ARG A 322 43.186 -5.156 4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 322 41.855 -4.411 7.170 1.00 0.00 H new ATOM 0 HB3 ARG A 322 41.001 -4.552 5.646 1.00 0.00 H new ATOM 0 HG2 ARG A 322 42.336 -6.974 5.777 1.00 0.00 H new ATOM 0 HG3 ARG A 322 41.979 -6.664 7.465 1.00 0.00 H new ATOM 0 HD2 ARG A 322 39.581 -6.280 6.876 1.00 0.00 H new ATOM 0 HD3 ARG A 322 39.947 -6.622 5.196 1.00 0.00 H new ATOM 0 HE ARG A 322 40.759 -8.766 7.023 1.00 0.00 H new ATOM 0 HH11 ARG A 322 38.134 -7.398 5.086 1.00 0.00 H new ATOM 0 HH12 ARG A 322 37.277 -8.937 4.957 1.00 0.00 H new ATOM 0 HH21 ARG A 322 39.645 -10.733 6.849 1.00 0.00 H new ATOM 0 HH22 ARG A 322 38.127 -10.813 5.949 1.00 0.00 H new ATOM 189 N ALA A 323 42.643 -2.782 3.900 1.00 0.00 N ATOM 190 CA ALA A 323 42.584 -1.403 3.431 1.00 0.00 C ATOM 191 C ALA A 323 41.143 -0.917 3.332 1.00 0.00 C ATOM 192 O ALA A 323 40.202 -1.702 3.451 1.00 0.00 O ATOM 193 CB ALA A 323 43.279 -1.274 2.084 1.00 0.00 C ATOM 0 H ALA A 323 42.275 -3.467 3.240 1.00 0.00 H new ATOM 0 HA ALA A 323 43.102 -0.777 4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.227 -0.239 1.746 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.323 -1.572 2.183 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.785 -1.919 1.357 1.00 0.00 H new ATOM 199 N PHE A 324 40.976 0.384 3.115 1.00 0.00 N ATOM 200 CA PHE A 324 39.648 0.976 2.999 1.00 0.00 C ATOM 201 C PHE A 324 39.389 1.459 1.576 1.00 0.00 C ATOM 202 O PHE A 324 40.002 2.424 1.117 1.00 0.00 O ATOM 203 CB PHE A 324 39.499 2.140 3.981 1.00 0.00 C ATOM 204 CG PHE A 324 39.635 1.732 5.420 1.00 0.00 C ATOM 205 CD1 PHE A 324 38.986 0.605 5.899 1.00 0.00 C ATOM 206 CD2 PHE A 324 40.412 2.476 6.294 1.00 0.00 C ATOM 207 CE1 PHE A 324 39.110 0.229 7.223 1.00 0.00 C ATOM 208 CE2 PHE A 324 40.539 2.105 7.619 1.00 0.00 C ATOM 209 CZ PHE A 324 39.887 0.978 8.084 1.00 0.00 C ATOM 0 H PHE A 324 41.744 1.048 3.016 1.00 0.00 H new ATOM 0 HA PHE A 324 38.913 0.209 3.241 1.00 0.00 H new ATOM 0 HB2 PHE A 324 40.251 2.895 3.753 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.525 2.606 3.834 1.00 0.00 H new ATOM 0 HD1 PHE A 324 38.377 0.014 5.231 1.00 0.00 H new ATOM 0 HD2 PHE A 324 40.924 3.356 5.935 1.00 0.00 H new ATOM 0 HE1 PHE A 324 38.599 -0.651 7.584 1.00 0.00 H new ATOM 0 HE2 PHE A 324 41.146 2.694 8.290 1.00 0.00 H new ATOM 0 HZ PHE A 324 39.985 0.684 9.119 1.00 0.00 H new ATOM 219 N VAL A 325 38.480 0.783 0.883 1.00 0.00 N ATOM 220 CA VAL A 325 38.139 1.143 -0.488 1.00 0.00 C ATOM 221 C VAL A 325 36.748 1.763 -0.564 1.00 0.00 C ATOM 222 O VAL A 325 35.926 1.576 0.332 1.00 0.00 O ATOM 223 CB VAL A 325 38.195 -0.081 -1.421 1.00 0.00 C ATOM 224 CG1 VAL A 325 38.053 0.345 -2.874 1.00 0.00 C ATOM 225 CG2 VAL A 325 39.488 -0.855 -1.210 1.00 0.00 C ATOM 0 H VAL A 325 37.965 -0.018 1.249 1.00 0.00 H new ATOM 0 HA VAL A 325 38.878 1.874 -0.816 1.00 0.00 H new ATOM 0 HB VAL A 325 37.360 -0.738 -1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 325 38.095 -0.534 -3.517 1.00 0.00 H new ATOM 0 HG12 VAL A 325 37.098 0.851 -3.013 1.00 0.00 H new ATOM 0 HG13 VAL A 325 38.864 1.024 -3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 325 39.510 -1.716 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 325 40.339 -0.208 -1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 325 39.543 -1.196 -0.176 1.00 0.00 H new ATOM 235 N THR A 326 36.491 2.499 -1.641 1.00 0.00 N ATOM 236 CA THR A 326 35.200 3.144 -1.833 1.00 0.00 C ATOM 237 C THR A 326 34.848 3.224 -3.315 1.00 0.00 C ATOM 238 O THR A 326 35.727 3.199 -4.175 1.00 0.00 O ATOM 239 CB THR A 326 35.208 4.545 -1.221 1.00 0.00 C ATOM 240 OG1 THR A 326 34.075 5.285 -1.643 1.00 0.00 O ATOM 241 CG2 THR A 326 36.440 5.348 -1.580 1.00 0.00 C ATOM 0 H THR A 326 37.161 2.663 -2.393 1.00 0.00 H new ATOM 0 HA THR A 326 34.443 2.542 -1.330 1.00 0.00 H new ATOM 0 HB THR A 326 35.197 4.388 -0.142 1.00 0.00 H new ATOM 0 HG1 THR A 326 34.098 6.178 -1.239 1.00 0.00 H new ATOM 0 HG21 THR A 326 36.382 6.331 -1.114 1.00 0.00 H new ATOM 0 HG22 THR A 326 37.329 4.829 -1.223 1.00 0.00 H new ATOM 0 HG23 THR A 326 36.497 5.463 -2.662 1.00 0.00 H new ATOM 249 N ILE A 327 33.554 3.320 -3.605 1.00 0.00 N ATOM 250 CA ILE A 327 33.083 3.405 -4.982 1.00 0.00 C ATOM 251 C ILE A 327 31.946 4.413 -5.114 1.00 0.00 C ATOM 252 O ILE A 327 31.155 4.595 -4.189 1.00 0.00 O ATOM 253 CB ILE A 327 32.600 2.035 -5.496 1.00 0.00 C ATOM 254 CG1 ILE A 327 33.632 0.951 -5.176 1.00 0.00 C ATOM 255 CG2 ILE A 327 32.334 2.094 -6.992 1.00 0.00 C ATOM 256 CD1 ILE A 327 33.111 -0.456 -5.372 1.00 0.00 C ATOM 0 H ILE A 327 32.813 3.341 -2.904 1.00 0.00 H new ATOM 0 HA ILE A 327 33.929 3.734 -5.585 1.00 0.00 H new ATOM 0 HB ILE A 327 31.668 1.783 -4.990 1.00 0.00 H new ATOM 0 HG12 ILE A 327 34.508 1.097 -5.808 1.00 0.00 H new ATOM 0 HG13 ILE A 327 33.961 1.067 -4.143 1.00 0.00 H new ATOM 0 HG21 ILE A 327 31.994 1.119 -7.340 1.00 0.00 H new ATOM 0 HG22 ILE A 327 31.566 2.840 -7.196 1.00 0.00 H new ATOM 0 HG23 ILE A 327 33.251 2.365 -7.514 1.00 0.00 H new ATOM 0 HD11 ILE A 327 33.896 -1.172 -5.127 1.00 0.00 H new ATOM 0 HD12 ILE A 327 32.253 -0.620 -4.720 1.00 0.00 H new ATOM 0 HD13 ILE A 327 32.809 -0.591 -6.411 1.00 0.00 H new ATOM 268 N GLY A 328 31.872 5.064 -6.270 1.00 0.00 N ATOM 269 CA GLY A 328 30.829 6.046 -6.501 1.00 0.00 C ATOM 270 C GLY A 328 30.946 6.707 -7.860 1.00 0.00 C ATOM 271 O GLY A 328 31.904 6.467 -8.595 1.00 0.00 O ATOM 0 H GLY A 328 32.515 4.929 -7.050 1.00 0.00 H new ATOM 0 HA2 GLY A 328 29.855 5.564 -6.418 1.00 0.00 H new ATOM 0 HA3 GLY A 328 30.874 6.809 -5.724 1.00 0.00 H new