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= -0.208 X(o=-0.21,f=-0.023) USER MOD Single : A 326 THR OG1 : rot 180:sc= -0.142 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.070 5.751 -3.703 1.00 0.00 N ATOM 2 CA LYS A 312 27.082 5.570 -2.669 1.00 0.00 C ATOM 3 C LYS A 312 27.565 4.123 -2.627 1.00 0.00 C ATOM 4 O LYS A 312 26.815 3.218 -2.262 1.00 0.00 O ATOM 5 CB LYS A 312 26.525 5.973 -1.302 1.00 0.00 C ATOM 6 CG LYS A 312 26.405 7.476 -1.114 1.00 0.00 C ATOM 7 CD LYS A 312 27.770 8.131 -0.967 1.00 0.00 C ATOM 8 CE LYS A 312 28.188 8.226 0.491 1.00 0.00 C ATOM 9 NZ LYS A 312 29.290 9.208 0.690 1.00 0.00 N ATOM 0 HA LYS A 312 27.930 6.211 -2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.543 5.519 -1.171 1.00 0.00 H new ATOM 0 HB3 LYS A 312 27.170 5.568 -0.522 1.00 0.00 H new ATOM 0 HG2 LYS A 312 25.882 7.910 -1.967 1.00 0.00 H new ATOM 0 HG3 LYS A 312 25.803 7.686 -0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 312 28.512 7.557 -1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 312 27.745 9.129 -1.405 1.00 0.00 H new ATOM 0 HE2 LYS A 312 27.329 8.516 1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 312 28.508 7.245 0.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 29.546 9.243 1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 30.118 8.918 0.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 28.976 10.150 0.380 1.00 0.00 H new ATOM 23 N SER A 313 28.822 3.913 -3.002 1.00 0.00 N ATOM 24 CA SER A 313 29.406 2.577 -3.007 1.00 0.00 C ATOM 25 C SER A 313 30.774 2.580 -2.332 1.00 0.00 C ATOM 26 O SER A 313 31.747 3.097 -2.880 1.00 0.00 O ATOM 27 CB SER A 313 29.533 2.058 -4.440 1.00 0.00 C ATOM 28 OG SER A 313 28.267 1.707 -4.970 1.00 0.00 O ATOM 0 H SER A 313 29.456 4.651 -3.307 1.00 0.00 H new ATOM 0 HA SER A 313 28.745 1.916 -2.446 1.00 0.00 H new ATOM 0 HB2 SER A 313 29.994 2.821 -5.067 1.00 0.00 H new ATOM 0 HB3 SER A 313 30.192 1.190 -4.458 1.00 0.00 H new ATOM 0 HG SER A 313 28.376 1.380 -5.887 1.00 0.00 H new ATOM 34 N ILE A 314 30.840 2.001 -1.137 1.00 0.00 N ATOM 35 CA ILE A 314 32.090 1.939 -0.387 1.00 0.00 C ATOM 36 C ILE A 314 32.767 0.587 -0.553 1.00 0.00 C ATOM 37 O ILE A 314 32.129 -0.402 -0.914 1.00 0.00 O ATOM 38 CB ILE A 314 31.874 2.187 1.120 1.00 0.00 C ATOM 39 CG1 ILE A 314 30.717 3.159 1.355 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.151 2.717 1.754 1.00 0.00 C ATOM 41 CD1 ILE A 314 30.883 4.482 0.639 1.00 0.00 C ATOM 0 H ILE A 314 30.044 1.569 -0.668 1.00 0.00 H new ATOM 0 HA ILE A 314 32.724 2.727 -0.794 1.00 0.00 H new ATOM 0 HB ILE A 314 31.617 1.237 1.589 1.00 0.00 H new ATOM 0 HG12 ILE A 314 29.788 2.692 1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.620 3.344 2.425 1.00 0.00 H new ATOM 0 HG21 ILE A 314 32.985 2.888 2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 314 33.951 1.989 1.624 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.433 3.655 1.275 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.026 5.121 0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 314 31.794 4.971 0.984 1.00 0.00 H new ATOM 0 HD13 ILE A 314 30.949 4.309 -0.435 1.00 0.00 H new ATOM 53 N ARG A 315 34.062 0.549 -0.270 1.00 0.00 N ATOM 54 CA ARG A 315 34.832 -0.681 -0.370 1.00 0.00 C ATOM 55 C ARG A 315 35.767 -0.818 0.826 1.00 0.00 C ATOM 56 O ARG A 315 36.957 -0.522 0.735 1.00 0.00 O ATOM 57 CB ARG A 315 35.636 -0.706 -1.669 1.00 0.00 C ATOM 58 CG ARG A 315 34.783 -0.546 -2.917 1.00 0.00 C ATOM 59 CD ARG A 315 34.002 -1.813 -3.228 1.00 0.00 C ATOM 60 NE ARG A 315 32.559 -1.586 -3.203 1.00 0.00 N ATOM 61 CZ ARG A 315 31.659 -2.494 -3.574 1.00 0.00 C ATOM 62 NH1 ARG A 315 32.048 -3.690 -4.000 1.00 0.00 N ATOM 63 NH2 ARG A 315 30.365 -2.206 -3.520 1.00 0.00 N ATOM 0 H ARG A 315 34.602 1.360 0.032 1.00 0.00 H new ATOM 0 HA ARG A 315 34.138 -1.522 -0.374 1.00 0.00 H new ATOM 0 HB2 ARG A 315 36.379 0.092 -1.642 1.00 0.00 H new ATOM 0 HB3 ARG A 315 36.182 -1.648 -1.730 1.00 0.00 H new ATOM 0 HG2 ARG A 315 34.090 0.285 -2.781 1.00 0.00 H new ATOM 0 HG3 ARG A 315 35.421 -0.294 -3.764 1.00 0.00 H new ATOM 0 HD2 ARG A 315 34.293 -2.187 -4.210 1.00 0.00 H new ATOM 0 HD3 ARG A 315 34.260 -2.585 -2.503 1.00 0.00 H new ATOM 0 HE ARG A 315 32.221 -0.678 -2.882 1.00 0.00 H new ATOM 0 HH11 ARG A 315 33.041 -3.917 -4.044 1.00 0.00 H new ATOM 0 HH12 ARG A 315 31.353 -4.381 -4.283 1.00 0.00 H new ATOM 0 HH21 ARG A 315 30.060 -1.289 -3.194 1.00 0.00 H new ATOM 0 HH22 ARG A 315 29.675 -2.902 -3.804 1.00 0.00 H new ATOM 77 N ILE A 316 35.213 -1.261 1.949 1.00 0.00 N ATOM 78 CA ILE A 316 35.989 -1.429 3.169 1.00 0.00 C ATOM 79 C ILE A 316 35.863 -2.847 3.716 1.00 0.00 C ATOM 80 O ILE A 316 34.764 -3.394 3.803 1.00 0.00 O ATOM 81 CB ILE A 316 35.541 -0.432 4.251 1.00 0.00 C ATOM 82 CG1 ILE A 316 34.017 -0.384 4.330 1.00 0.00 C ATOM 83 CG2 ILE A 316 36.102 0.952 3.960 1.00 0.00 C ATOM 84 CD1 ILE A 316 33.509 0.441 5.488 1.00 0.00 C ATOM 0 H ILE A 316 34.228 -1.510 2.038 1.00 0.00 H new ATOM 0 HA ILE A 316 37.031 -1.238 2.912 1.00 0.00 H new ATOM 0 HB ILE A 316 35.927 -0.766 5.214 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.624 0.026 3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 316 33.632 -1.400 4.419 1.00 0.00 H new ATOM 0 HG21 ILE A 316 35.776 1.647 4.734 1.00 0.00 H new ATOM 0 HG22 ILE A 316 37.191 0.908 3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.741 1.294 2.990 1.00 0.00 H new ATOM 0 HD11 ILE A 316 32.419 0.435 5.488 1.00 0.00 H new ATOM 0 HD12 ILE A 316 33.874 0.018 6.424 1.00 0.00 H new ATOM 0 HD13 ILE A 316 33.866 1.466 5.389 1.00 0.00 H new ATOM 96 N GLN A 317 36.997 -3.437 4.082 1.00 0.00 N ATOM 97 CA GLN A 317 37.014 -4.792 4.620 1.00 0.00 C ATOM 98 C GLN A 317 37.920 -4.877 5.845 1.00 0.00 C ATOM 99 O GLN A 317 38.884 -4.123 5.970 1.00 0.00 O ATOM 100 CB GLN A 317 37.487 -5.782 3.554 1.00 0.00 C ATOM 101 CG GLN A 317 36.669 -5.732 2.272 1.00 0.00 C ATOM 102 CD GLN A 317 37.523 -5.493 1.043 1.00 0.00 C ATOM 103 OE1 GLN A 317 37.418 -6.215 0.051 1.00 0.00 O ATOM 104 NE2 GLN A 317 38.376 -4.478 1.102 1.00 0.00 N ATOM 0 H GLN A 317 37.915 -2.998 4.016 1.00 0.00 H new ATOM 0 HA GLN A 317 35.998 -5.050 4.920 1.00 0.00 H new ATOM 0 HB2 GLN A 317 38.531 -5.577 3.317 1.00 0.00 H new ATOM 0 HB3 GLN A 317 37.445 -6.791 3.963 1.00 0.00 H new ATOM 0 HG2 GLN A 317 36.126 -6.670 2.155 1.00 0.00 H new ATOM 0 HG3 GLN A 317 35.924 -4.940 2.352 1.00 0.00 H new ATOM 0 HE21 GLN A 317 38.430 -3.905 1.944 1.00 0.00 H new ATOM 0 HE22 GLN A 317 38.978 -4.270 0.305 1.00 0.00 H new ATOM 113 N ARG A 318 37.602 -5.801 6.746 1.00 0.00 N ATOM 114 CA ARG A 318 38.387 -5.986 7.962 1.00 0.00 C ATOM 115 C ARG A 318 39.085 -7.341 7.957 1.00 0.00 C ATOM 116 O ARG A 318 38.453 -8.376 7.743 1.00 0.00 O ATOM 117 CB ARG A 318 37.490 -5.865 9.196 1.00 0.00 C ATOM 118 CG ARG A 318 36.183 -6.630 9.075 1.00 0.00 C ATOM 119 CD ARG A 318 35.018 -5.701 8.771 1.00 0.00 C ATOM 120 NE ARG A 318 33.735 -6.397 8.823 1.00 0.00 N ATOM 121 CZ ARG A 318 33.175 -6.839 9.947 1.00 0.00 C ATOM 122 NH1 ARG A 318 33.782 -6.660 11.114 1.00 0.00 N ATOM 123 NH2 ARG A 318 32.005 -7.461 9.905 1.00 0.00 N ATOM 0 H ARG A 318 36.807 -6.433 6.657 1.00 0.00 H new ATOM 0 HA ARG A 318 39.148 -5.206 7.997 1.00 0.00 H new ATOM 0 HB2 ARG A 318 38.034 -6.228 10.068 1.00 0.00 H new ATOM 0 HB3 ARG A 318 37.270 -4.812 9.373 1.00 0.00 H new ATOM 0 HG2 ARG A 318 36.269 -7.377 8.286 1.00 0.00 H new ATOM 0 HG3 ARG A 318 35.988 -7.168 10.003 1.00 0.00 H new ATOM 0 HD2 ARG A 318 35.014 -4.879 9.487 1.00 0.00 H new ATOM 0 HD3 ARG A 318 35.153 -5.262 7.782 1.00 0.00 H new ATOM 0 HE ARG A 318 33.238 -6.554 7.946 1.00 0.00 H new ATOM 0 HH11 ARG A 318 34.682 -6.182 11.153 1.00 0.00 H new ATOM 0 HH12 ARG A 318 33.348 -7.001 11.972 1.00 0.00 H new ATOM 0 HH21 ARG A 318 31.534 -7.601 9.011 1.00 0.00 H new ATOM 0 HH22 ARG A 318 31.576 -7.800 10.766 1.00 0.00 H new ATOM 137 N GLY A 319 40.392 -7.329 8.195 1.00 0.00 N ATOM 138 CA GLY A 319 41.154 -8.564 8.214 1.00 0.00 C ATOM 139 C GLY A 319 42.651 -8.325 8.139 1.00 0.00 C ATOM 140 O GLY A 319 43.094 -7.178 8.060 1.00 0.00 O ATOM 0 H GLY A 319 40.937 -6.486 8.375 1.00 0.00 H new ATOM 0 HA2 GLY A 319 40.923 -9.116 9.125 1.00 0.00 H new ATOM 0 HA3 GLY A 319 40.847 -9.190 7.376 1.00 0.00 H new ATOM 144 N PRO A 320 43.462 -9.395 8.158 1.00 0.00 N ATOM 145 CA PRO A 320 44.923 -9.282 8.090 1.00 0.00 C ATOM 146 C PRO A 320 45.398 -8.766 6.736 1.00 0.00 C ATOM 147 O PRO A 320 45.593 -9.542 5.799 1.00 0.00 O ATOM 148 CB PRO A 320 45.406 -10.716 8.316 1.00 0.00 C ATOM 149 CG PRO A 320 44.260 -11.575 7.905 1.00 0.00 C ATOM 150 CD PRO A 320 43.020 -10.799 8.247 1.00 0.00 C ATOM 0 HA PRO A 320 45.311 -8.571 8.820 1.00 0.00 H new ATOM 0 HB2 PRO A 320 46.294 -10.932 7.723 1.00 0.00 H new ATOM 0 HB3 PRO A 320 45.671 -10.884 9.360 1.00 0.00 H new ATOM 0 HG2 PRO A 320 44.301 -11.796 6.838 1.00 0.00 H new ATOM 0 HG3 PRO A 320 44.280 -12.530 8.430 1.00 0.00 H new ATOM 0 HD2 PRO A 320 42.209 -11.010 7.550 1.00 0.00 H new ATOM 0 HD3 PRO A 320 42.655 -11.043 9.245 1.00 0.00 H new ATOM 158 N GLY A 321 45.584 -7.455 6.639 1.00 0.00 N ATOM 159 CA GLY A 321 46.036 -6.859 5.395 1.00 0.00 C ATOM 160 C GLY A 321 44.895 -6.273 4.587 1.00 0.00 C ATOM 161 O GLY A 321 44.972 -6.190 3.361 1.00 0.00 O ATOM 0 H GLY A 321 45.430 -6.793 7.400 1.00 0.00 H new ATOM 0 HA2 GLY A 321 46.763 -6.076 5.613 1.00 0.00 H new ATOM 0 HA3 GLY A 321 46.550 -7.614 4.799 1.00 0.00 H new ATOM 165 N ARG A 322 43.833 -5.865 5.275 1.00 0.00 N ATOM 166 CA ARG A 322 42.672 -5.284 4.614 1.00 0.00 C ATOM 167 C ARG A 322 42.646 -3.769 4.789 1.00 0.00 C ATOM 168 O ARG A 322 42.728 -3.262 5.908 1.00 0.00 O ATOM 169 CB ARG A 322 41.383 -5.894 5.168 1.00 0.00 C ATOM 170 CG ARG A 322 41.281 -7.395 4.954 1.00 0.00 C ATOM 171 CD ARG A 322 40.915 -7.730 3.518 1.00 0.00 C ATOM 172 NE ARG A 322 41.256 -9.108 3.174 1.00 0.00 N ATOM 173 CZ ARG A 322 41.050 -9.644 1.973 1.00 0.00 C ATOM 174 NH1 ARG A 322 40.504 -8.923 1.001 1.00 0.00 N ATOM 175 NH2 ARG A 322 41.390 -10.905 1.743 1.00 0.00 N ATOM 0 H ARG A 322 43.754 -5.927 6.290 1.00 0.00 H new ATOM 0 HA ARG A 322 42.744 -5.508 3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 322 41.320 -5.682 6.235 1.00 0.00 H new ATOM 0 HB3 ARG A 322 40.529 -5.409 4.696 1.00 0.00 H new ATOM 0 HG2 ARG A 322 42.231 -7.865 5.207 1.00 0.00 H new ATOM 0 HG3 ARG A 322 40.531 -7.809 5.628 1.00 0.00 H new ATOM 0 HD2 ARG A 322 39.847 -7.573 3.370 1.00 0.00 H new ATOM 0 HD3 ARG A 322 41.434 -7.049 2.843 1.00 0.00 H new ATOM 0 HE ARG A 322 41.676 -9.693 3.896 1.00 0.00 H new ATOM 0 HH11 ARG A 322 40.240 -7.953 1.172 1.00 0.00 H new ATOM 0 HH12 ARG A 322 40.349 -9.339 0.083 1.00 0.00 H new ATOM 0 HH21 ARG A 322 41.809 -11.464 2.486 1.00 0.00 H new ATOM 0 HH22 ARG A 322 41.232 -11.316 0.823 1.00 0.00 H new ATOM 189 N ALA A 323 42.532 -3.051 3.676 1.00 0.00 N ATOM 190 CA ALA A 323 42.496 -1.593 3.707 1.00 0.00 C ATOM 191 C ALA A 323 41.069 -1.078 3.550 1.00 0.00 C ATOM 192 O ALA A 323 40.171 -1.819 3.153 1.00 0.00 O ATOM 193 CB ALA A 323 43.389 -1.021 2.619 1.00 0.00 C ATOM 0 H ALA A 323 42.463 -3.455 2.742 1.00 0.00 H new ATOM 0 HA ALA A 323 42.869 -1.264 4.677 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.353 0.068 2.654 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.414 -1.355 2.777 1.00 0.00 H new ATOM 0 HB3 ALA A 323 43.041 -1.365 1.645 1.00 0.00 H new ATOM 199 N PHE A 324 40.869 0.197 3.865 1.00 0.00 N ATOM 200 CA PHE A 324 39.551 0.813 3.757 1.00 0.00 C ATOM 201 C PHE A 324 39.474 1.719 2.533 1.00 0.00 C ATOM 202 O PHE A 324 40.194 2.713 2.437 1.00 0.00 O ATOM 203 CB PHE A 324 39.234 1.614 5.021 1.00 0.00 C ATOM 204 CG PHE A 324 38.740 0.770 6.163 1.00 0.00 C ATOM 205 CD1 PHE A 324 39.347 -0.440 6.463 1.00 0.00 C ATOM 206 CD2 PHE A 324 37.670 1.188 6.936 1.00 0.00 C ATOM 207 CE1 PHE A 324 38.893 -1.216 7.512 1.00 0.00 C ATOM 208 CE2 PHE A 324 37.213 0.415 7.987 1.00 0.00 C ATOM 209 CZ PHE A 324 37.825 -0.788 8.275 1.00 0.00 C ATOM 0 H PHE A 324 41.602 0.824 4.197 1.00 0.00 H new ATOM 0 HA PHE A 324 38.813 0.018 3.645 1.00 0.00 H new ATOM 0 HB2 PHE A 324 40.130 2.148 5.337 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.481 2.366 4.785 1.00 0.00 H new ATOM 0 HD1 PHE A 324 40.184 -0.779 5.870 1.00 0.00 H new ATOM 0 HD2 PHE A 324 37.187 2.128 6.715 1.00 0.00 H new ATOM 0 HE1 PHE A 324 39.373 -2.157 7.735 1.00 0.00 H new ATOM 0 HE2 PHE A 324 36.377 0.752 8.582 1.00 0.00 H new ATOM 0 HZ PHE A 324 37.469 -1.393 9.096 1.00 0.00 H new ATOM 219 N VAL A 325 38.597 1.368 1.598 1.00 0.00 N ATOM 220 CA VAL A 325 38.427 2.148 0.378 1.00 0.00 C ATOM 221 C VAL A 325 36.967 2.540 0.175 1.00 0.00 C ATOM 222 O VAL A 325 36.064 1.925 0.744 1.00 0.00 O ATOM 223 CB VAL A 325 38.913 1.369 -0.858 1.00 0.00 C ATOM 224 CG1 VAL A 325 38.937 2.268 -2.084 1.00 0.00 C ATOM 225 CG2 VAL A 325 40.288 0.768 -0.603 1.00 0.00 C ATOM 0 H VAL A 325 37.993 0.548 1.662 1.00 0.00 H new ATOM 0 HA VAL A 325 39.030 3.049 0.492 1.00 0.00 H new ATOM 0 HB VAL A 325 38.214 0.555 -1.048 1.00 0.00 H new ATOM 0 HG11 VAL A 325 39.283 1.698 -2.946 1.00 0.00 H new ATOM 0 HG12 VAL A 325 37.933 2.646 -2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 325 39.612 3.106 -1.908 1.00 0.00 H new ATOM 0 HG21 VAL A 325 40.616 0.221 -1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 325 40.999 1.565 -0.385 1.00 0.00 H new ATOM 0 HG23 VAL A 325 40.236 0.087 0.246 1.00 0.00 H new ATOM 235 N THR A 326 36.742 3.566 -0.640 1.00 0.00 N ATOM 236 CA THR A 326 35.394 4.040 -0.920 1.00 0.00 C ATOM 237 C THR A 326 35.254 4.451 -2.382 1.00 0.00 C ATOM 238 O THR A 326 36.248 4.675 -3.072 1.00 0.00 O ATOM 239 CB THR A 326 35.044 5.218 -0.010 1.00 0.00 C ATOM 240 OG1 THR A 326 33.788 5.768 -0.363 1.00 0.00 O ATOM 241 CG2 THR A 326 36.064 6.334 -0.056 1.00 0.00 C ATOM 0 H THR A 326 37.478 4.085 -1.118 1.00 0.00 H new ATOM 0 HA THR A 326 34.701 3.222 -0.724 1.00 0.00 H new ATOM 0 HB THR A 326 35.025 4.807 1.000 1.00 0.00 H new ATOM 0 HG1 THR A 326 33.581 6.519 0.232 1.00 0.00 H new ATOM 0 HG21 THR A 326 35.754 7.138 0.612 1.00 0.00 H new ATOM 0 HG22 THR A 326 37.035 5.953 0.260 1.00 0.00 H new ATOM 0 HG23 THR A 326 36.139 6.717 -1.074 1.00 0.00 H new ATOM 249 N ILE A 327 34.013 4.547 -2.848 1.00 0.00 N ATOM 250 CA ILE A 327 33.742 4.931 -4.227 1.00 0.00 C ATOM 251 C ILE A 327 32.448 5.731 -4.332 1.00 0.00 C ATOM 252 O ILE A 327 31.499 5.496 -3.583 1.00 0.00 O ATOM 253 CB ILE A 327 33.647 3.699 -5.147 1.00 0.00 C ATOM 254 CG1 ILE A 327 34.834 2.764 -4.911 1.00 0.00 C ATOM 255 CG2 ILE A 327 33.585 4.130 -6.604 1.00 0.00 C ATOM 256 CD1 ILE A 327 34.783 1.501 -5.742 1.00 0.00 C ATOM 0 H ILE A 327 33.179 4.364 -2.290 1.00 0.00 H new ATOM 0 HA ILE A 327 34.577 5.552 -4.550 1.00 0.00 H new ATOM 0 HB ILE A 327 32.732 3.157 -4.910 1.00 0.00 H new ATOM 0 HG12 ILE A 327 35.757 3.299 -5.134 1.00 0.00 H new ATOM 0 HG13 ILE A 327 34.869 2.494 -3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 327 33.518 3.249 -7.242 1.00 0.00 H new ATOM 0 HG22 ILE A 327 32.708 4.758 -6.761 1.00 0.00 H new ATOM 0 HG23 ILE A 327 34.484 4.692 -6.856 1.00 0.00 H new ATOM 0 HD11 ILE A 327 35.656 0.886 -5.523 1.00 0.00 H new ATOM 0 HD12 ILE A 327 33.877 0.944 -5.502 1.00 0.00 H new ATOM 0 HD13 ILE A 327 34.779 1.762 -6.800 1.00 0.00 H new ATOM 268 N GLY A 328 32.416 6.675 -5.267 1.00 0.00 N ATOM 269 CA GLY A 328 31.232 7.494 -5.453 1.00 0.00 C ATOM 270 C GLY A 328 31.033 7.907 -6.898 1.00 0.00 C ATOM 271 O GLY A 328 31.989 7.967 -7.671 1.00 0.00 O ATOM 0 H GLY A 328 33.188 6.887 -5.899 1.00 0.00 H new ATOM 0 HA2 GLY A 328 30.356 6.943 -5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 328 31.310 8.386 -4.831 1.00 0.00 H new TER 275 GLY A 328