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= -0.125 USER MOD Single : A 317 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.018) USER MOD Single : A 326 THR OG1 : rot 180:sc= -0.0593 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.598 5.350 -4.924 1.00 0.00 N ATOM 2 CA LYS A 312 27.280 5.322 -3.636 1.00 0.00 C ATOM 3 C LYS A 312 27.519 3.888 -3.177 1.00 0.00 C ATOM 4 O LYS A 312 26.582 3.176 -2.819 1.00 0.00 O ATOM 5 CB LYS A 312 26.462 6.077 -2.586 1.00 0.00 C ATOM 6 CG LYS A 312 26.257 7.547 -2.916 1.00 0.00 C ATOM 7 CD LYS A 312 27.373 8.408 -2.342 1.00 0.00 C ATOM 8 CE LYS A 312 26.877 9.271 -1.193 1.00 0.00 C ATOM 9 NZ LYS A 312 27.843 10.352 -0.854 1.00 0.00 N ATOM 0 HA LYS A 312 28.247 5.811 -3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.489 5.597 -2.482 1.00 0.00 H new ATOM 0 HB3 LYS A 312 26.962 5.996 -1.621 1.00 0.00 H new ATOM 0 HG2 LYS A 312 26.216 7.676 -3.998 1.00 0.00 H new ATOM 0 HG3 LYS A 312 25.298 7.880 -2.519 1.00 0.00 H new ATOM 0 HD2 LYS A 312 28.185 7.769 -1.994 1.00 0.00 H new ATOM 0 HD3 LYS A 312 27.782 9.045 -3.126 1.00 0.00 H new ATOM 0 HE2 LYS A 312 25.917 9.713 -1.459 1.00 0.00 H new ATOM 0 HE3 LYS A 312 26.709 8.646 -0.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 27.468 10.918 -0.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 28.752 9.930 -0.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 27.984 10.964 -1.683 1.00 0.00 H new ATOM 23 N SER A 313 28.781 3.474 -3.191 1.00 0.00 N ATOM 24 CA SER A 313 29.147 2.124 -2.776 1.00 0.00 C ATOM 25 C SER A 313 30.553 2.105 -2.186 1.00 0.00 C ATOM 26 O SER A 313 31.499 2.601 -2.799 1.00 0.00 O ATOM 27 CB SER A 313 29.066 1.163 -3.963 1.00 0.00 C ATOM 28 OG SER A 313 28.205 1.666 -4.970 1.00 0.00 O ATOM 0 H SER A 313 29.568 4.053 -3.485 1.00 0.00 H new ATOM 0 HA SER A 313 28.443 1.800 -2.009 1.00 0.00 H new ATOM 0 HB2 SER A 313 30.062 1.007 -4.377 1.00 0.00 H new ATOM 0 HB3 SER A 313 28.706 0.192 -3.624 1.00 0.00 H new ATOM 0 HG SER A 313 28.172 1.034 -5.718 1.00 0.00 H new ATOM 34 N ILE A 314 30.684 1.534 -0.993 1.00 0.00 N ATOM 35 CA ILE A 314 31.978 1.459 -0.324 1.00 0.00 C ATOM 36 C ILE A 314 32.401 0.014 -0.097 1.00 0.00 C ATOM 37 O ILE A 314 31.573 -0.897 -0.101 1.00 0.00 O ATOM 38 CB ILE A 314 31.970 2.178 1.040 1.00 0.00 C ATOM 39 CG1 ILE A 314 30.984 3.348 1.038 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.369 2.661 1.389 1.00 0.00 C ATOM 41 CD1 ILE A 314 31.344 4.441 0.056 1.00 0.00 C ATOM 0 H ILE A 314 29.913 1.118 -0.471 1.00 0.00 H new ATOM 0 HA ILE A 314 32.686 1.956 -0.987 1.00 0.00 H new ATOM 0 HB ILE A 314 31.645 1.466 1.799 1.00 0.00 H new ATOM 0 HG12 ILE A 314 29.988 2.973 0.802 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.935 3.773 2.040 1.00 0.00 H new ATOM 0 HG21 ILE A 314 33.349 3.167 2.354 1.00 0.00 H new ATOM 0 HG22 ILE A 314 34.046 1.808 1.440 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.716 3.355 0.623 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.601 5.237 0.109 1.00 0.00 H new ATOM 0 HD12 ILE A 314 32.326 4.844 0.304 1.00 0.00 H new ATOM 0 HD13 ILE A 314 31.364 4.031 -0.954 1.00 0.00 H new ATOM 53 N ARG A 315 33.694 -0.183 0.118 1.00 0.00 N ATOM 54 CA ARG A 315 34.237 -1.509 0.367 1.00 0.00 C ATOM 55 C ARG A 315 35.232 -1.462 1.520 1.00 0.00 C ATOM 56 O ARG A 315 36.445 -1.427 1.309 1.00 0.00 O ATOM 57 CB ARG A 315 34.916 -2.055 -0.890 1.00 0.00 C ATOM 58 CG ARG A 315 34.798 -3.563 -1.039 1.00 0.00 C ATOM 59 CD ARG A 315 33.728 -3.944 -2.050 1.00 0.00 C ATOM 60 NE ARG A 315 32.684 -4.777 -1.457 1.00 0.00 N ATOM 61 CZ ARG A 315 31.582 -5.156 -2.100 1.00 0.00 C ATOM 62 NH1 ARG A 315 31.378 -4.782 -3.357 1.00 0.00 N ATOM 63 NH2 ARG A 315 30.683 -5.913 -1.485 1.00 0.00 N ATOM 0 H ARG A 315 34.389 0.564 0.125 1.00 0.00 H new ATOM 0 HA ARG A 315 33.416 -2.174 0.635 1.00 0.00 H new ATOM 0 HB2 ARG A 315 34.479 -1.576 -1.766 1.00 0.00 H new ATOM 0 HB3 ARG A 315 35.971 -1.782 -0.871 1.00 0.00 H new ATOM 0 HG2 ARG A 315 35.758 -3.974 -1.352 1.00 0.00 H new ATOM 0 HG3 ARG A 315 34.561 -4.007 -0.072 1.00 0.00 H new ATOM 0 HD2 ARG A 315 33.280 -3.040 -2.461 1.00 0.00 H new ATOM 0 HD3 ARG A 315 34.189 -4.478 -2.881 1.00 0.00 H new ATOM 0 HE ARG A 315 32.807 -5.086 -0.493 1.00 0.00 H new ATOM 0 HH11 ARG A 315 32.067 -4.201 -3.835 1.00 0.00 H new ATOM 0 HH12 ARG A 315 30.532 -5.075 -3.845 1.00 0.00 H new ATOM 0 HH21 ARG A 315 30.836 -6.204 -0.520 1.00 0.00 H new ATOM 0 HH22 ARG A 315 29.838 -6.204 -1.977 1.00 0.00 H new ATOM 77 N ILE A 316 34.708 -1.450 2.740 1.00 0.00 N ATOM 78 CA ILE A 316 35.544 -1.395 3.932 1.00 0.00 C ATOM 79 C ILE A 316 35.442 -2.683 4.742 1.00 0.00 C ATOM 80 O ILE A 316 34.346 -3.147 5.055 1.00 0.00 O ATOM 81 CB ILE A 316 35.167 -0.203 4.833 1.00 0.00 C ATOM 82 CG1 ILE A 316 33.660 0.053 4.786 1.00 0.00 C ATOM 83 CG2 ILE A 316 35.930 1.042 4.407 1.00 0.00 C ATOM 84 CD1 ILE A 316 33.221 1.189 5.679 1.00 0.00 C ATOM 0 H ILE A 316 33.706 -1.478 2.929 1.00 0.00 H new ATOM 0 HA ILE A 316 36.570 -1.269 3.587 1.00 0.00 H new ATOM 0 HB ILE A 316 35.441 -0.446 5.859 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.367 0.273 3.759 1.00 0.00 H new ATOM 0 HG13 ILE A 316 33.134 -0.856 5.080 1.00 0.00 H new ATOM 0 HG21 ILE A 316 35.654 1.876 5.052 1.00 0.00 H new ATOM 0 HG22 ILE A 316 37.001 0.858 4.490 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.682 1.285 3.374 1.00 0.00 H new ATOM 0 HD11 ILE A 316 32.142 1.318 5.599 1.00 0.00 H new ATOM 0 HD12 ILE A 316 33.484 0.962 6.712 1.00 0.00 H new ATOM 0 HD13 ILE A 316 33.720 2.108 5.371 1.00 0.00 H new ATOM 96 N GLN A 317 36.594 -3.254 5.079 1.00 0.00 N ATOM 97 CA GLN A 317 36.638 -4.490 5.853 1.00 0.00 C ATOM 98 C GLN A 317 37.585 -4.351 7.041 1.00 0.00 C ATOM 99 O GLN A 317 38.522 -3.555 7.010 1.00 0.00 O ATOM 100 CB GLN A 317 37.079 -5.656 4.967 1.00 0.00 C ATOM 101 CG GLN A 317 36.324 -5.737 3.650 1.00 0.00 C ATOM 102 CD GLN A 317 37.229 -6.076 2.480 1.00 0.00 C ATOM 103 OE1 GLN A 317 37.013 -7.064 1.779 1.00 0.00 O ATOM 104 NE2 GLN A 317 38.249 -5.254 2.265 1.00 0.00 N ATOM 0 H GLN A 317 37.510 -2.881 4.828 1.00 0.00 H new ATOM 0 HA GLN A 317 35.635 -4.691 6.231 1.00 0.00 H new ATOM 0 HB2 GLN A 317 38.145 -5.562 4.760 1.00 0.00 H new ATOM 0 HB3 GLN A 317 36.942 -6.589 5.513 1.00 0.00 H new ATOM 0 HG2 GLN A 317 35.541 -6.491 3.730 1.00 0.00 H new ATOM 0 HG3 GLN A 317 35.830 -4.784 3.459 1.00 0.00 H new ATOM 0 HE21 GLN A 317 38.390 -4.446 2.872 1.00 0.00 H new ATOM 0 HE22 GLN A 317 38.892 -5.430 1.493 1.00 0.00 H new ATOM 113 N ARG A 318 37.334 -5.132 8.086 1.00 0.00 N ATOM 114 CA ARG A 318 38.165 -5.096 9.284 1.00 0.00 C ATOM 115 C ARG A 318 39.268 -6.148 9.214 1.00 0.00 C ATOM 116 O ARG A 318 39.082 -7.218 8.634 1.00 0.00 O ATOM 117 CB ARG A 318 37.308 -5.318 10.531 1.00 0.00 C ATOM 118 CG ARG A 318 36.082 -4.423 10.596 1.00 0.00 C ATOM 119 CD ARG A 318 36.444 -3.007 11.018 1.00 0.00 C ATOM 120 NE ARG A 318 36.013 -2.015 10.037 1.00 0.00 N ATOM 121 CZ ARG A 318 36.182 -0.703 10.183 1.00 0.00 C ATOM 122 NH1 ARG A 318 36.772 -0.221 11.270 1.00 0.00 N ATOM 123 NH2 ARG A 318 35.760 0.129 9.242 1.00 0.00 N ATOM 0 H ARG A 318 36.562 -5.797 8.128 1.00 0.00 H new ATOM 0 HA ARG A 318 38.631 -4.113 9.343 1.00 0.00 H new ATOM 0 HB2 ARG A 318 36.989 -6.360 10.561 1.00 0.00 H new ATOM 0 HB3 ARG A 318 37.920 -5.147 11.417 1.00 0.00 H new ATOM 0 HG2 ARG A 318 35.596 -4.400 9.621 1.00 0.00 H new ATOM 0 HG3 ARG A 318 35.363 -4.841 11.301 1.00 0.00 H new ATOM 0 HD2 ARG A 318 35.984 -2.787 11.981 1.00 0.00 H new ATOM 0 HD3 ARG A 318 37.523 -2.935 11.156 1.00 0.00 H new ATOM 0 HE ARG A 318 35.555 -2.348 9.189 1.00 0.00 H new ATOM 0 HH11 ARG A 318 37.098 -0.857 11.998 1.00 0.00 H new ATOM 0 HH12 ARG A 318 36.899 0.785 11.377 1.00 0.00 H new ATOM 0 HH21 ARG A 318 35.305 -0.236 8.405 1.00 0.00 H new ATOM 0 HH22 ARG A 318 35.890 1.134 9.355 1.00 0.00 H new ATOM 137 N GLY A 319 40.414 -5.836 9.809 1.00 0.00 N ATOM 138 CA GLY A 319 41.529 -6.765 9.803 1.00 0.00 C ATOM 139 C GLY A 319 42.869 -6.063 9.685 1.00 0.00 C ATOM 140 O GLY A 319 42.947 -4.959 9.147 1.00 0.00 O ATOM 0 H GLY A 319 40.591 -4.957 10.295 1.00 0.00 H new ATOM 0 HA2 GLY A 319 41.511 -7.355 10.719 1.00 0.00 H new ATOM 0 HA3 GLY A 319 41.413 -7.462 8.973 1.00 0.00 H new ATOM 144 N PRO A 320 43.952 -6.684 10.183 1.00 0.00 N ATOM 145 CA PRO A 320 45.296 -6.098 10.123 1.00 0.00 C ATOM 146 C PRO A 320 45.673 -5.657 8.713 1.00 0.00 C ATOM 147 O PRO A 320 46.031 -4.501 8.488 1.00 0.00 O ATOM 148 CB PRO A 320 46.203 -7.240 10.587 1.00 0.00 C ATOM 149 CG PRO A 320 45.330 -8.095 11.439 1.00 0.00 C ATOM 150 CD PRO A 320 43.953 -8.003 10.842 1.00 0.00 C ATOM 0 HA PRO A 320 45.376 -5.198 10.733 1.00 0.00 H new ATOM 0 HB2 PRO A 320 46.600 -7.800 9.740 1.00 0.00 H new ATOM 0 HB3 PRO A 320 47.058 -6.863 11.149 1.00 0.00 H new ATOM 0 HG2 PRO A 320 45.683 -9.126 11.449 1.00 0.00 H new ATOM 0 HG3 PRO A 320 45.332 -7.748 12.472 1.00 0.00 H new ATOM 0 HD2 PRO A 320 43.769 -8.808 10.130 1.00 0.00 H new ATOM 0 HD3 PRO A 320 43.179 -8.071 11.606 1.00 0.00 H new ATOM 158 N GLY A 321 45.592 -6.587 7.766 1.00 0.00 N ATOM 159 CA GLY A 321 45.928 -6.274 6.390 1.00 0.00 C ATOM 160 C GLY A 321 44.707 -5.939 5.556 1.00 0.00 C ATOM 161 O GLY A 321 44.703 -6.139 4.340 1.00 0.00 O ATOM 0 H GLY A 321 45.300 -7.551 7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 321 46.619 -5.432 6.371 1.00 0.00 H new ATOM 0 HA3 GLY A 321 46.447 -7.122 5.944 1.00 0.00 H new ATOM 165 N ARG A 322 43.668 -5.429 6.209 1.00 0.00 N ATOM 166 CA ARG A 322 42.436 -5.066 5.519 1.00 0.00 C ATOM 167 C ARG A 322 42.405 -3.571 5.211 1.00 0.00 C ATOM 168 O ARG A 322 42.292 -2.743 6.113 1.00 0.00 O ATOM 169 CB ARG A 322 41.221 -5.452 6.367 1.00 0.00 C ATOM 170 CG ARG A 322 40.307 -6.463 5.694 1.00 0.00 C ATOM 171 CD ARG A 322 40.814 -7.884 5.885 1.00 0.00 C ATOM 172 NE ARG A 322 39.724 -8.855 5.922 1.00 0.00 N ATOM 173 CZ ARG A 322 39.047 -9.250 4.846 1.00 0.00 C ATOM 174 NH1 ARG A 322 39.343 -8.759 3.649 1.00 0.00 N ATOM 175 NH2 ARG A 322 38.071 -10.140 4.967 1.00 0.00 N ATOM 0 H ARG A 322 43.655 -5.258 7.214 1.00 0.00 H new ATOM 0 HA ARG A 322 42.400 -5.612 4.576 1.00 0.00 H new ATOM 0 HB2 ARG A 322 41.566 -5.862 7.316 1.00 0.00 H new ATOM 0 HB3 ARG A 322 40.648 -4.553 6.597 1.00 0.00 H new ATOM 0 HG2 ARG A 322 39.301 -6.376 6.105 1.00 0.00 H new ATOM 0 HG3 ARG A 322 40.237 -6.240 4.629 1.00 0.00 H new ATOM 0 HD2 ARG A 322 41.497 -8.137 5.074 1.00 0.00 H new ATOM 0 HD3 ARG A 322 41.384 -7.944 6.812 1.00 0.00 H new ATOM 0 HE ARG A 322 39.466 -9.254 6.825 1.00 0.00 H new ATOM 0 HH11 ARG A 322 40.093 -8.075 3.550 1.00 0.00 H new ATOM 0 HH12 ARG A 322 38.820 -9.066 2.828 1.00 0.00 H new ATOM 0 HH21 ARG A 322 37.839 -10.521 5.884 1.00 0.00 H new ATOM 0 HH22 ARG A 322 37.552 -10.443 4.143 1.00 0.00 H new ATOM 189 N ALA A 323 42.506 -3.236 3.929 1.00 0.00 N ATOM 190 CA ALA A 323 42.488 -1.842 3.500 1.00 0.00 C ATOM 191 C ALA A 323 41.064 -1.376 3.214 1.00 0.00 C ATOM 192 O ALA A 323 40.155 -2.190 3.058 1.00 0.00 O ATOM 193 CB ALA A 323 43.366 -1.656 2.273 1.00 0.00 C ATOM 0 H ALA A 323 42.601 -3.910 3.169 1.00 0.00 H new ATOM 0 HA ALA A 323 42.886 -1.231 4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.343 -0.611 1.964 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.391 -1.941 2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.995 -2.282 1.462 1.00 0.00 H new ATOM 199 N PHE A 324 40.879 -0.062 3.145 1.00 0.00 N ATOM 200 CA PHE A 324 39.565 0.510 2.878 1.00 0.00 C ATOM 201 C PHE A 324 39.470 1.006 1.438 1.00 0.00 C ATOM 202 O PHE A 324 40.449 1.490 0.871 1.00 0.00 O ATOM 203 CB PHE A 324 39.279 1.657 3.847 1.00 0.00 C ATOM 204 CG PHE A 324 39.292 1.239 5.290 1.00 0.00 C ATOM 205 CD1 PHE A 324 38.644 0.083 5.696 1.00 0.00 C ATOM 206 CD2 PHE A 324 39.955 2.000 6.240 1.00 0.00 C ATOM 207 CE1 PHE A 324 38.656 -0.305 7.022 1.00 0.00 C ATOM 208 CE2 PHE A 324 39.970 1.617 7.569 1.00 0.00 C ATOM 209 CZ PHE A 324 39.320 0.463 7.960 1.00 0.00 C ATOM 0 H PHE A 324 41.622 0.626 3.270 1.00 0.00 H new ATOM 0 HA PHE A 324 38.819 -0.271 3.023 1.00 0.00 H new ATOM 0 HB2 PHE A 324 40.020 2.442 3.698 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.306 2.088 3.610 1.00 0.00 H new ATOM 0 HD1 PHE A 324 38.124 -0.521 4.968 1.00 0.00 H new ATOM 0 HD2 PHE A 324 40.466 2.903 5.939 1.00 0.00 H new ATOM 0 HE1 PHE A 324 38.147 -1.208 7.325 1.00 0.00 H new ATOM 0 HE2 PHE A 324 40.489 2.219 8.300 1.00 0.00 H new ATOM 0 HZ PHE A 324 39.330 0.161 8.997 1.00 0.00 H new ATOM 219 N VAL A 325 38.283 0.881 0.852 1.00 0.00 N ATOM 220 CA VAL A 325 38.058 1.314 -0.521 1.00 0.00 C ATOM 221 C VAL A 325 36.662 1.906 -0.687 1.00 0.00 C ATOM 222 O VAL A 325 35.769 1.651 0.120 1.00 0.00 O ATOM 223 CB VAL A 325 38.228 0.147 -1.513 1.00 0.00 C ATOM 224 CG1 VAL A 325 38.204 0.654 -2.946 1.00 0.00 C ATOM 225 CG2 VAL A 325 39.515 -0.612 -1.229 1.00 0.00 C ATOM 0 H VAL A 325 37.462 0.483 1.308 1.00 0.00 H new ATOM 0 HA VAL A 325 38.804 2.078 -0.739 1.00 0.00 H new ATOM 0 HB VAL A 325 37.392 -0.540 -1.383 1.00 0.00 H new ATOM 0 HG11 VAL A 325 38.326 -0.185 -3.631 1.00 0.00 H new ATOM 0 HG12 VAL A 325 37.252 1.147 -3.142 1.00 0.00 H new ATOM 0 HG13 VAL A 325 39.018 1.364 -3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 325 39.618 -1.432 -1.939 1.00 0.00 H new ATOM 0 HG22 VAL A 325 40.365 0.063 -1.329 1.00 0.00 H new ATOM 0 HG23 VAL A 325 39.486 -1.011 -0.215 1.00 0.00 H new ATOM 235 N THR A 326 36.480 2.698 -1.740 1.00 0.00 N ATOM 236 CA THR A 326 35.193 3.324 -2.010 1.00 0.00 C ATOM 237 C THR A 326 34.991 3.532 -3.508 1.00 0.00 C ATOM 238 O THR A 326 35.955 3.646 -4.266 1.00 0.00 O ATOM 239 CB THR A 326 35.086 4.663 -1.278 1.00 0.00 C ATOM 240 OG1 THR A 326 34.002 5.423 -1.782 1.00 0.00 O ATOM 241 CG2 THR A 326 36.334 5.512 -1.395 1.00 0.00 C ATOM 0 H THR A 326 37.208 2.920 -2.419 1.00 0.00 H new ATOM 0 HA THR A 326 34.412 2.657 -1.646 1.00 0.00 H new ATOM 0 HB THR A 326 34.937 4.407 -0.229 1.00 0.00 H new ATOM 0 HG1 THR A 326 33.948 6.275 -1.301 1.00 0.00 H new ATOM 0 HG21 THR A 326 36.190 6.447 -0.853 1.00 0.00 H new ATOM 0 HG22 THR A 326 37.181 4.974 -0.971 1.00 0.00 H new ATOM 0 HG23 THR A 326 36.530 5.728 -2.445 1.00 0.00 H new ATOM 249 N ILE A 327 33.730 3.579 -3.927 1.00 0.00 N ATOM 250 CA ILE A 327 33.399 3.773 -5.334 1.00 0.00 C ATOM 251 C ILE A 327 32.122 4.592 -5.489 1.00 0.00 C ATOM 252 O ILE A 327 31.208 4.496 -4.668 1.00 0.00 O ATOM 253 CB ILE A 327 33.220 2.426 -6.062 1.00 0.00 C ATOM 254 CG1 ILE A 327 34.399 1.499 -5.761 1.00 0.00 C ATOM 255 CG2 ILE A 327 33.083 2.647 -7.561 1.00 0.00 C ATOM 256 CD1 ILE A 327 34.274 0.771 -4.440 1.00 0.00 C ATOM 0 H ILE A 327 32.921 3.485 -3.312 1.00 0.00 H new ATOM 0 HA ILE A 327 34.233 4.312 -5.783 1.00 0.00 H new ATOM 0 HB ILE A 327 32.307 1.953 -5.700 1.00 0.00 H new ATOM 0 HG12 ILE A 327 34.489 0.766 -6.563 1.00 0.00 H new ATOM 0 HG13 ILE A 327 35.319 2.084 -5.759 1.00 0.00 H new ATOM 0 HG21 ILE A 327 32.957 1.686 -8.060 1.00 0.00 H new ATOM 0 HG22 ILE A 327 32.214 3.275 -7.758 1.00 0.00 H new ATOM 0 HG23 ILE A 327 33.979 3.138 -7.940 1.00 0.00 H new ATOM 0 HD11 ILE A 327 35.145 0.132 -4.293 1.00 0.00 H new ATOM 0 HD12 ILE A 327 34.215 1.497 -3.629 1.00 0.00 H new ATOM 0 HD13 ILE A 327 33.372 0.159 -4.446 1.00 0.00 H new ATOM 268 N GLY A 328 32.063 5.396 -6.546 1.00 0.00 N ATOM 269 CA GLY A 328 30.892 6.219 -6.788 1.00 0.00 C ATOM 270 C GLY A 328 31.247 7.583 -7.346 1.00 0.00 C ATOM 271 O GLY A 328 32.339 8.095 -7.103 1.00 0.00 O ATOM 0 H GLY A 328 32.805 5.492 -7.239 1.00 0.00 H new ATOM 0 HA2 GLY A 328 30.229 5.706 -7.485 1.00 0.00 H new ATOM 0 HA3 GLY A 328 30.340 6.343 -5.856 1.00 0.00 H new TER 275 GLY A 328