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= -2.04 K(o=-2,f=-6.9!) USER MOD Single : A 326 THR OG1 : rot 3:sc= 0.64 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.092 5.208 -4.386 1.00 0.00 N ATOM 2 CA LYS A 312 27.120 5.216 -3.351 1.00 0.00 C ATOM 3 C LYS A 312 27.360 3.809 -2.810 1.00 0.00 C ATOM 4 O LYS A 312 26.513 3.245 -2.118 1.00 0.00 O ATOM 5 CB LYS A 312 26.716 6.153 -2.210 1.00 0.00 C ATOM 6 CG LYS A 312 27.283 7.558 -2.350 1.00 0.00 C ATOM 7 CD LYS A 312 28.454 7.783 -1.407 1.00 0.00 C ATOM 8 CE LYS A 312 29.745 7.218 -1.977 1.00 0.00 C ATOM 9 NZ LYS A 312 30.418 8.181 -2.892 1.00 0.00 N ATOM 0 HA LYS A 312 28.047 5.576 -3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.628 6.211 -2.166 1.00 0.00 H new ATOM 0 HB3 LYS A 312 27.051 5.727 -1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 312 27.606 7.720 -3.378 1.00 0.00 H new ATOM 0 HG3 LYS A 312 26.502 8.289 -2.142 1.00 0.00 H new ATOM 0 HD2 LYS A 312 28.573 8.850 -1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 312 28.244 7.314 -0.446 1.00 0.00 H new ATOM 0 HE2 LYS A 312 30.420 6.961 -1.161 1.00 0.00 H new ATOM 0 HE3 LYS A 312 29.530 6.295 -2.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 31.294 7.757 -3.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 29.784 8.407 -3.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 30.646 9.052 -2.372 1.00 0.00 H new ATOM 23 N SER A 313 28.522 3.251 -3.130 1.00 0.00 N ATOM 24 CA SER A 313 28.880 1.912 -2.677 1.00 0.00 C ATOM 25 C SER A 313 30.326 1.875 -2.196 1.00 0.00 C ATOM 26 O SER A 313 31.259 1.932 -2.997 1.00 0.00 O ATOM 27 CB SER A 313 28.678 0.898 -3.803 1.00 0.00 C ATOM 28 OG SER A 313 28.293 -0.365 -3.290 1.00 0.00 O ATOM 0 H SER A 313 29.233 3.706 -3.702 1.00 0.00 H new ATOM 0 HA SER A 313 28.229 1.649 -1.843 1.00 0.00 H new ATOM 0 HB2 SER A 313 27.915 1.262 -4.492 1.00 0.00 H new ATOM 0 HB3 SER A 313 29.601 0.796 -4.374 1.00 0.00 H new ATOM 0 HG SER A 313 28.169 -0.995 -4.031 1.00 0.00 H new ATOM 34 N ILE A 314 30.507 1.784 -0.882 1.00 0.00 N ATOM 35 CA ILE A 314 31.843 1.745 -0.298 1.00 0.00 C ATOM 36 C ILE A 314 32.352 0.318 -0.174 1.00 0.00 C ATOM 37 O ILE A 314 31.575 -0.637 -0.169 1.00 0.00 O ATOM 38 CB ILE A 314 31.882 2.384 1.104 1.00 0.00 C ATOM 39 CG1 ILE A 314 30.947 3.592 1.183 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.304 2.792 1.458 1.00 0.00 C ATOM 41 CD1 ILE A 314 31.322 4.711 0.236 1.00 0.00 C ATOM 0 H ILE A 314 29.747 1.736 -0.203 1.00 0.00 H new ATOM 0 HA ILE A 314 32.480 2.315 -0.975 1.00 0.00 H new ATOM 0 HB ILE A 314 31.538 1.642 1.825 1.00 0.00 H new ATOM 0 HG12 ILE A 314 29.929 3.268 0.965 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.948 3.975 2.203 1.00 0.00 H new ATOM 0 HG21 ILE A 314 33.317 3.242 2.451 1.00 0.00 H new ATOM 0 HG22 ILE A 314 33.948 1.912 1.450 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.668 3.515 0.727 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.616 5.534 0.347 1.00 0.00 H new ATOM 0 HD12 ILE A 314 32.327 5.062 0.468 1.00 0.00 H new ATOM 0 HD13 ILE A 314 31.293 4.344 -0.790 1.00 0.00 H new ATOM 53 N ARG A 315 33.666 0.187 -0.052 1.00 0.00 N ATOM 54 CA ARG A 315 34.295 -1.114 0.101 1.00 0.00 C ATOM 55 C ARG A 315 35.440 -1.020 1.100 1.00 0.00 C ATOM 56 O ARG A 315 36.607 -0.926 0.722 1.00 0.00 O ATOM 57 CB ARG A 315 34.812 -1.624 -1.246 1.00 0.00 C ATOM 58 CG ARG A 315 33.771 -2.392 -2.045 1.00 0.00 C ATOM 59 CD ARG A 315 33.980 -3.895 -1.938 1.00 0.00 C ATOM 60 NE ARG A 315 33.962 -4.352 -0.550 1.00 0.00 N ATOM 61 CZ ARG A 315 33.756 -5.617 -0.189 1.00 0.00 C ATOM 62 NH1 ARG A 315 33.553 -6.552 -1.109 1.00 0.00 N ATOM 63 NH2 ARG A 315 33.754 -5.948 1.095 1.00 0.00 N ATOM 0 H ARG A 315 34.318 0.971 -0.056 1.00 0.00 H new ATOM 0 HA ARG A 315 33.552 -1.819 0.473 1.00 0.00 H new ATOM 0 HB2 ARG A 315 35.159 -0.777 -1.837 1.00 0.00 H new ATOM 0 HB3 ARG A 315 35.675 -2.268 -1.075 1.00 0.00 H new ATOM 0 HG2 ARG A 315 32.774 -2.136 -1.686 1.00 0.00 H new ATOM 0 HG3 ARG A 315 33.820 -2.091 -3.091 1.00 0.00 H new ATOM 0 HD2 ARG A 315 33.201 -4.410 -2.500 1.00 0.00 H new ATOM 0 HD3 ARG A 315 34.933 -4.162 -2.396 1.00 0.00 H new ATOM 0 HE ARG A 315 34.116 -3.662 0.185 1.00 0.00 H new ATOM 0 HH11 ARG A 315 33.554 -6.303 -2.098 1.00 0.00 H new ATOM 0 HH12 ARG A 315 33.396 -7.519 -0.827 1.00 0.00 H new ATOM 0 HH21 ARG A 315 33.910 -5.234 1.806 1.00 0.00 H new ATOM 0 HH22 ARG A 315 33.596 -6.917 1.372 1.00 0.00 H new ATOM 77 N ILE A 316 35.092 -1.031 2.382 1.00 0.00 N ATOM 78 CA ILE A 316 36.084 -0.932 3.445 1.00 0.00 C ATOM 79 C ILE A 316 36.169 -2.224 4.249 1.00 0.00 C ATOM 80 O ILE A 316 35.185 -2.667 4.842 1.00 0.00 O ATOM 81 CB ILE A 316 35.773 0.239 4.397 1.00 0.00 C ATOM 82 CG1 ILE A 316 34.264 0.397 4.589 1.00 0.00 C ATOM 83 CG2 ILE A 316 36.377 1.529 3.863 1.00 0.00 C ATOM 84 CD1 ILE A 316 33.904 1.394 5.662 1.00 0.00 C ATOM 0 H ILE A 316 34.129 -1.108 2.710 1.00 0.00 H new ATOM 0 HA ILE A 316 37.044 -0.751 2.962 1.00 0.00 H new ATOM 0 HB ILE A 316 36.219 0.019 5.367 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.815 0.709 3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 316 33.833 -0.572 4.842 1.00 0.00 H new ATOM 0 HG21 ILE A 316 36.149 2.347 4.546 1.00 0.00 H new ATOM 0 HG22 ILE A 316 37.458 1.417 3.779 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.957 1.748 2.881 1.00 0.00 H new ATOM 0 HD11 ILE A 316 32.819 1.460 5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 316 34.325 1.072 6.614 1.00 0.00 H new ATOM 0 HD13 ILE A 316 34.307 2.372 5.400 1.00 0.00 H new ATOM 96 N GLN A 317 37.356 -2.822 4.266 1.00 0.00 N ATOM 97 CA GLN A 317 37.579 -4.063 4.997 1.00 0.00 C ATOM 98 C GLN A 317 38.440 -3.818 6.231 1.00 0.00 C ATOM 99 O GLN A 317 39.453 -3.122 6.165 1.00 0.00 O ATOM 100 CB GLN A 317 38.248 -5.098 4.093 1.00 0.00 C ATOM 101 CG GLN A 317 37.261 -5.983 3.348 1.00 0.00 C ATOM 102 CD GLN A 317 37.355 -5.826 1.843 1.00 0.00 C ATOM 103 OE1 GLN A 317 36.342 -5.777 1.147 1.00 0.00 O ATOM 104 NE2 GLN A 317 38.578 -5.748 1.334 1.00 0.00 N ATOM 0 H GLN A 317 38.179 -2.466 3.781 1.00 0.00 H new ATOM 0 HA GLN A 317 36.611 -4.445 5.320 1.00 0.00 H new ATOM 0 HB2 GLN A 317 38.879 -4.582 3.369 1.00 0.00 H new ATOM 0 HB3 GLN A 317 38.903 -5.726 4.697 1.00 0.00 H new ATOM 0 HG2 GLN A 317 37.442 -7.025 3.613 1.00 0.00 H new ATOM 0 HG3 GLN A 317 36.248 -5.743 3.672 1.00 0.00 H new ATOM 0 HE21 GLN A 317 39.390 -5.793 1.949 1.00 0.00 H new ATOM 0 HE22 GLN A 317 38.706 -5.643 0.328 1.00 0.00 H new ATOM 113 N ARG A 318 38.033 -4.393 7.358 1.00 0.00 N ATOM 114 CA ARG A 318 38.770 -4.234 8.605 1.00 0.00 C ATOM 115 C ARG A 318 39.683 -5.430 8.856 1.00 0.00 C ATOM 116 O ARG A 318 39.544 -6.474 8.217 1.00 0.00 O ATOM 117 CB ARG A 318 37.801 -4.060 9.776 1.00 0.00 C ATOM 118 CG ARG A 318 37.545 -2.608 10.142 1.00 0.00 C ATOM 119 CD ARG A 318 36.332 -2.465 11.046 1.00 0.00 C ATOM 120 NE ARG A 318 35.084 -2.737 10.336 1.00 0.00 N ATOM 121 CZ ARG A 318 33.886 -2.351 10.768 1.00 0.00 C ATOM 122 NH1 ARG A 318 33.768 -1.678 11.905 1.00 0.00 N ATOM 123 NH2 ARG A 318 32.802 -2.640 10.060 1.00 0.00 N ATOM 0 H ARG A 318 37.197 -4.973 7.433 1.00 0.00 H new ATOM 0 HA ARG A 318 39.389 -3.341 8.520 1.00 0.00 H new ATOM 0 HB2 ARG A 318 36.853 -4.536 9.526 1.00 0.00 H new ATOM 0 HB3 ARG A 318 38.199 -4.581 10.647 1.00 0.00 H new ATOM 0 HG2 ARG A 318 38.423 -2.198 10.642 1.00 0.00 H new ATOM 0 HG3 ARG A 318 37.394 -2.024 9.234 1.00 0.00 H new ATOM 0 HD2 ARG A 318 36.426 -3.149 11.889 1.00 0.00 H new ATOM 0 HD3 ARG A 318 36.303 -1.456 11.456 1.00 0.00 H new ATOM 0 HE ARG A 318 35.134 -3.253 9.458 1.00 0.00 H new ATOM 0 HH11 ARG A 318 34.598 -1.454 12.453 1.00 0.00 H new ATOM 0 HH12 ARG A 318 32.847 -1.385 12.231 1.00 0.00 H new ATOM 0 HH21 ARG A 318 32.887 -3.158 9.185 1.00 0.00 H new ATOM 0 HH22 ARG A 318 31.883 -2.345 10.390 1.00 0.00 H new ATOM 137 N GLY A 319 40.617 -5.270 9.787 1.00 0.00 N ATOM 138 CA GLY A 319 41.540 -6.344 10.106 1.00 0.00 C ATOM 139 C GLY A 319 42.909 -6.131 9.486 1.00 0.00 C ATOM 140 O GLY A 319 43.016 -5.577 8.393 1.00 0.00 O ATOM 0 H GLY A 319 40.752 -4.415 10.327 1.00 0.00 H new ATOM 0 HA2 GLY A 319 41.642 -6.423 11.188 1.00 0.00 H new ATOM 0 HA3 GLY A 319 41.128 -7.290 9.755 1.00 0.00 H new ATOM 144 N PRO A 320 43.986 -6.566 10.165 1.00 0.00 N ATOM 145 CA PRO A 320 45.353 -6.412 9.657 1.00 0.00 C ATOM 146 C PRO A 320 45.511 -6.971 8.248 1.00 0.00 C ATOM 147 O PRO A 320 45.235 -8.145 8.001 1.00 0.00 O ATOM 148 CB PRO A 320 46.196 -7.216 10.650 1.00 0.00 C ATOM 149 CG PRO A 320 45.395 -7.228 11.906 1.00 0.00 C ATOM 150 CD PRO A 320 43.955 -7.240 11.476 1.00 0.00 C ATOM 0 HA PRO A 320 45.645 -5.364 9.583 1.00 0.00 H new ATOM 0 HB2 PRO A 320 46.378 -8.228 10.287 1.00 0.00 H new ATOM 0 HB3 PRO A 320 47.171 -6.754 10.807 1.00 0.00 H new ATOM 0 HG2 PRO A 320 45.629 -8.104 12.510 1.00 0.00 H new ATOM 0 HG3 PRO A 320 45.613 -6.352 12.517 1.00 0.00 H new ATOM 0 HD2 PRO A 320 43.567 -8.256 11.397 1.00 0.00 H new ATOM 0 HD3 PRO A 320 43.319 -6.711 12.185 1.00 0.00 H new ATOM 158 N GLY A 321 45.954 -6.123 7.326 1.00 0.00 N ATOM 159 CA GLY A 321 46.139 -6.551 5.953 1.00 0.00 C ATOM 160 C GLY A 321 45.019 -6.088 5.041 1.00 0.00 C ATOM 161 O GLY A 321 45.178 -6.054 3.822 1.00 0.00 O ATOM 0 H GLY A 321 46.188 -5.147 7.506 1.00 0.00 H new ATOM 0 HA2 GLY A 321 47.088 -6.165 5.581 1.00 0.00 H new ATOM 0 HA3 GLY A 321 46.202 -7.639 5.921 1.00 0.00 H new ATOM 165 N ARG A 322 43.881 -5.732 5.633 1.00 0.00 N ATOM 166 CA ARG A 322 42.733 -5.271 4.863 1.00 0.00 C ATOM 167 C ARG A 322 42.775 -3.759 4.672 1.00 0.00 C ATOM 168 O ARG A 322 42.893 -3.004 5.637 1.00 0.00 O ATOM 169 CB ARG A 322 41.431 -5.671 5.560 1.00 0.00 C ATOM 170 CG ARG A 322 40.985 -7.091 5.247 1.00 0.00 C ATOM 171 CD ARG A 322 41.886 -8.118 5.912 1.00 0.00 C ATOM 172 NE ARG A 322 41.237 -9.421 6.034 1.00 0.00 N ATOM 173 CZ ARG A 322 41.646 -10.378 6.864 1.00 0.00 C ATOM 174 NH1 ARG A 322 42.701 -10.183 7.645 1.00 0.00 N ATOM 175 NH2 ARG A 322 40.998 -11.533 6.913 1.00 0.00 N ATOM 0 H ARG A 322 43.731 -5.755 6.642 1.00 0.00 H new ATOM 0 HA ARG A 322 42.774 -5.744 3.882 1.00 0.00 H new ATOM 0 HB2 ARG A 322 41.559 -5.568 6.638 1.00 0.00 H new ATOM 0 HB3 ARG A 322 40.643 -4.978 5.265 1.00 0.00 H new ATOM 0 HG2 ARG A 322 39.958 -7.234 5.584 1.00 0.00 H new ATOM 0 HG3 ARG A 322 40.990 -7.245 4.168 1.00 0.00 H new ATOM 0 HD2 ARG A 322 42.804 -8.223 5.333 1.00 0.00 H new ATOM 0 HD3 ARG A 322 42.172 -7.762 6.902 1.00 0.00 H new ATOM 0 HE ARG A 322 40.423 -9.609 5.449 1.00 0.00 H new ATOM 0 HH11 ARG A 322 43.203 -9.296 7.611 1.00 0.00 H new ATOM 0 HH12 ARG A 322 43.009 -10.920 8.279 1.00 0.00 H new ATOM 0 HH21 ARG A 322 40.186 -11.688 6.315 1.00 0.00 H new ATOM 0 HH22 ARG A 322 41.311 -12.267 7.549 1.00 0.00 H new ATOM 189 N ALA A 323 42.679 -3.323 3.420 1.00 0.00 N ATOM 190 CA ALA A 323 42.706 -1.901 3.102 1.00 0.00 C ATOM 191 C ALA A 323 41.293 -1.339 2.990 1.00 0.00 C ATOM 192 O ALA A 323 40.316 -2.088 2.979 1.00 0.00 O ATOM 193 CB ALA A 323 43.473 -1.667 1.809 1.00 0.00 C ATOM 0 H ALA A 323 42.582 -3.935 2.610 1.00 0.00 H new ATOM 0 HA ALA A 323 43.214 -1.379 3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.486 -0.601 1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.496 -2.027 1.922 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.987 -2.205 0.995 1.00 0.00 H new ATOM 199 N PHE A 324 41.191 -0.016 2.908 1.00 0.00 N ATOM 200 CA PHE A 324 39.896 0.644 2.798 1.00 0.00 C ATOM 201 C PHE A 324 39.688 1.206 1.396 1.00 0.00 C ATOM 202 O PHE A 324 40.588 1.817 0.820 1.00 0.00 O ATOM 203 CB PHE A 324 39.782 1.765 3.832 1.00 0.00 C ATOM 204 CG PHE A 324 39.831 1.278 5.252 1.00 0.00 C ATOM 205 CD1 PHE A 324 38.933 0.321 5.700 1.00 0.00 C ATOM 206 CD2 PHE A 324 40.773 1.775 6.138 1.00 0.00 C ATOM 207 CE1 PHE A 324 38.975 -0.130 7.007 1.00 0.00 C ATOM 208 CE2 PHE A 324 40.819 1.328 7.445 1.00 0.00 C ATOM 209 CZ PHE A 324 39.919 0.374 7.879 1.00 0.00 C ATOM 0 H PHE A 324 41.989 0.619 2.916 1.00 0.00 H new ATOM 0 HA PHE A 324 39.121 -0.098 2.990 1.00 0.00 H new ATOM 0 HB2 PHE A 324 40.590 2.479 3.673 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.847 2.302 3.672 1.00 0.00 H new ATOM 0 HD1 PHE A 324 38.193 -0.076 5.021 1.00 0.00 H new ATOM 0 HD2 PHE A 324 41.479 2.520 5.804 1.00 0.00 H new ATOM 0 HE1 PHE A 324 38.270 -0.875 7.345 1.00 0.00 H new ATOM 0 HE2 PHE A 324 41.558 1.724 8.126 1.00 0.00 H new ATOM 0 HZ PHE A 324 39.954 0.023 8.900 1.00 0.00 H new ATOM 219 N VAL A 325 38.494 0.993 0.852 1.00 0.00 N ATOM 220 CA VAL A 325 38.165 1.478 -0.484 1.00 0.00 C ATOM 221 C VAL A 325 36.814 2.183 -0.493 1.00 0.00 C ATOM 222 O VAL A 325 35.993 1.984 0.402 1.00 0.00 O ATOM 223 CB VAL A 325 38.139 0.328 -1.509 1.00 0.00 C ATOM 224 CG1 VAL A 325 38.026 0.873 -2.925 1.00 0.00 C ATOM 225 CG2 VAL A 325 39.376 -0.546 -1.365 1.00 0.00 C ATOM 0 H VAL A 325 37.739 0.488 1.315 1.00 0.00 H new ATOM 0 HA VAL A 325 38.944 2.186 -0.765 1.00 0.00 H new ATOM 0 HB VAL A 325 37.262 -0.288 -1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 325 38.009 0.045 -3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 325 37.107 1.451 -3.020 1.00 0.00 H new ATOM 0 HG13 VAL A 325 38.881 1.515 -3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 325 39.339 -1.352 -2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 325 40.269 0.056 -1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 325 39.408 -0.969 -0.361 1.00 0.00 H new ATOM 235 N THR A 326 36.588 3.006 -1.512 1.00 0.00 N ATOM 236 CA THR A 326 35.336 3.738 -1.637 1.00 0.00 C ATOM 237 C THR A 326 34.971 3.949 -3.103 1.00 0.00 C ATOM 238 O THR A 326 35.718 4.575 -3.856 1.00 0.00 O ATOM 239 CB THR A 326 35.435 5.088 -0.923 1.00 0.00 C ATOM 240 OG1 THR A 326 36.252 5.984 -1.655 1.00 0.00 O ATOM 241 CG2 THR A 326 36.004 4.985 0.475 1.00 0.00 C ATOM 0 H THR A 326 37.256 3.182 -2.262 1.00 0.00 H new ATOM 0 HA THR A 326 34.550 3.145 -1.169 1.00 0.00 H new ATOM 0 HB THR A 326 34.411 5.454 -0.855 1.00 0.00 H new ATOM 0 HG1 THR A 326 36.544 5.555 -2.487 1.00 0.00 H new ATOM 0 HG21 THR A 326 36.047 5.977 0.924 1.00 0.00 H new ATOM 0 HG22 THR A 326 35.367 4.340 1.080 1.00 0.00 H new ATOM 0 HG23 THR A 326 37.008 4.564 0.429 1.00 0.00 H new ATOM 249 N ILE A 327 33.818 3.422 -3.501 1.00 0.00 N ATOM 250 CA ILE A 327 33.352 3.552 -4.876 1.00 0.00 C ATOM 251 C ILE A 327 32.042 4.328 -4.941 1.00 0.00 C ATOM 252 O ILE A 327 31.231 4.275 -4.016 1.00 0.00 O ATOM 253 CB ILE A 327 33.151 2.173 -5.535 1.00 0.00 C ATOM 254 CG1 ILE A 327 34.367 1.279 -5.284 1.00 0.00 C ATOM 255 CG2 ILE A 327 32.899 2.332 -7.027 1.00 0.00 C ATOM 256 CD1 ILE A 327 34.148 0.253 -4.193 1.00 0.00 C ATOM 0 H ILE A 327 33.189 2.901 -2.890 1.00 0.00 H new ATOM 0 HA ILE A 327 34.123 4.098 -5.420 1.00 0.00 H new ATOM 0 HB ILE A 327 32.278 1.697 -5.088 1.00 0.00 H new ATOM 0 HG12 ILE A 327 34.626 0.764 -6.209 1.00 0.00 H new ATOM 0 HG13 ILE A 327 35.219 1.905 -5.018 1.00 0.00 H new ATOM 0 HG21 ILE A 327 32.759 1.350 -7.479 1.00 0.00 H new ATOM 0 HG22 ILE A 327 32.004 2.934 -7.183 1.00 0.00 H new ATOM 0 HG23 ILE A 327 33.753 2.826 -7.490 1.00 0.00 H new ATOM 0 HD11 ILE A 327 35.051 -0.345 -4.069 1.00 0.00 H new ATOM 0 HD12 ILE A 327 33.918 0.761 -3.256 1.00 0.00 H new ATOM 0 HD13 ILE A 327 33.317 -0.397 -4.466 1.00 0.00 H new ATOM 268 N GLY A 328 31.839 5.048 -6.039 1.00 0.00 N ATOM 269 CA GLY A 328 30.624 5.826 -6.204 1.00 0.00 C ATOM 270 C GLY A 328 30.857 7.112 -6.970 1.00 0.00 C ATOM 271 O GLY A 328 32.000 7.499 -7.214 1.00 0.00 O ATOM 0 H GLY A 328 32.494 5.107 -6.818 1.00 0.00 H new ATOM 0 HA2 GLY A 328 29.880 5.225 -6.727 1.00 0.00 H new ATOM 0 HA3 GLY A 328 30.211 6.061 -5.223 1.00 0.00 H new TER 275 GLY A 328