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= -0.357 X(o=-0.36,f=-0.1) USER MOD Single : A 326 THR OG1 : rot 30:sc= 0.11 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.484 5.677 -4.389 1.00 0.00 N ATOM 2 CA LYS A 312 27.359 5.544 -3.230 1.00 0.00 C ATOM 3 C LYS A 312 27.722 4.083 -2.985 1.00 0.00 C ATOM 4 O LYS A 312 26.876 3.282 -2.586 1.00 0.00 O ATOM 5 CB LYS A 312 26.687 6.131 -1.988 1.00 0.00 C ATOM 6 CG LYS A 312 26.250 7.577 -2.158 1.00 0.00 C ATOM 7 CD LYS A 312 27.275 8.540 -1.578 1.00 0.00 C ATOM 8 CE LYS A 312 26.875 9.988 -1.811 1.00 0.00 C ATOM 9 NZ LYS A 312 26.840 10.766 -0.542 1.00 0.00 N ATOM 0 HA LYS A 312 28.276 6.097 -3.434 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.817 5.525 -1.735 1.00 0.00 H new ATOM 0 HB3 LYS A 312 27.377 6.065 -1.147 1.00 0.00 H new ATOM 0 HG2 LYS A 312 26.105 7.792 -3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 312 25.289 7.728 -1.667 1.00 0.00 H new ATOM 0 HD2 LYS A 312 27.381 8.359 -0.508 1.00 0.00 H new ATOM 0 HD3 LYS A 312 28.248 8.353 -2.031 1.00 0.00 H new ATOM 0 HE2 LYS A 312 27.579 10.452 -2.502 1.00 0.00 H new ATOM 0 HE3 LYS A 312 25.894 10.022 -2.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 26.563 11.748 -0.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 26.150 10.339 0.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 27.782 10.756 -0.102 1.00 0.00 H new ATOM 23 N SER A 313 28.985 3.745 -3.222 1.00 0.00 N ATOM 24 CA SER A 313 29.463 2.381 -3.025 1.00 0.00 C ATOM 25 C SER A 313 30.784 2.377 -2.265 1.00 0.00 C ATOM 26 O SER A 313 31.775 2.946 -2.720 1.00 0.00 O ATOM 27 CB SER A 313 29.635 1.678 -4.373 1.00 0.00 C ATOM 28 OG SER A 313 29.378 0.289 -4.261 1.00 0.00 O ATOM 0 H SER A 313 29.697 4.397 -3.551 1.00 0.00 H new ATOM 0 HA SER A 313 28.721 1.842 -2.436 1.00 0.00 H new ATOM 0 HB2 SER A 313 28.958 2.118 -5.105 1.00 0.00 H new ATOM 0 HB3 SER A 313 30.649 1.835 -4.742 1.00 0.00 H new ATOM 0 HG SER A 313 29.493 -0.137 -5.136 1.00 0.00 H new ATOM 34 N ILE A 314 30.791 1.734 -1.101 1.00 0.00 N ATOM 35 CA ILE A 314 31.993 1.661 -0.279 1.00 0.00 C ATOM 36 C ILE A 314 32.545 0.244 -0.224 1.00 0.00 C ATOM 37 O ILE A 314 31.833 -0.725 -0.485 1.00 0.00 O ATOM 38 CB ILE A 314 31.734 2.126 1.168 1.00 0.00 C ATOM 39 CG1 ILE A 314 30.716 3.266 1.205 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.037 2.554 1.825 1.00 0.00 C ATOM 41 CD1 ILE A 314 31.193 4.525 0.514 1.00 0.00 C ATOM 0 H ILE A 314 29.980 1.257 -0.707 1.00 0.00 H new ATOM 0 HA ILE A 314 32.716 2.326 -0.751 1.00 0.00 H new ATOM 0 HB ILE A 314 31.319 1.287 1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 314 29.791 2.932 0.735 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.480 3.498 2.244 1.00 0.00 H new ATOM 0 HG21 ILE A 314 32.840 2.880 2.846 1.00 0.00 H new ATOM 0 HG22 ILE A 314 33.730 1.713 1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.476 3.376 1.260 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.420 5.291 0.579 1.00 0.00 H new ATOM 0 HD12 ILE A 314 32.101 4.884 0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 314 31.401 4.308 -0.534 1.00 0.00 H new ATOM 53 N ARG A 315 33.816 0.138 0.136 1.00 0.00 N ATOM 54 CA ARG A 315 34.474 -1.153 0.252 1.00 0.00 C ATOM 55 C ARG A 315 35.380 -1.166 1.476 1.00 0.00 C ATOM 56 O ARG A 315 36.594 -0.986 1.369 1.00 0.00 O ATOM 57 CB ARG A 315 35.288 -1.457 -1.006 1.00 0.00 C ATOM 58 CG ARG A 315 34.454 -2.009 -2.152 1.00 0.00 C ATOM 59 CD ARG A 315 34.540 -3.525 -2.227 1.00 0.00 C ATOM 60 NE ARG A 315 33.299 -4.166 -1.799 1.00 0.00 N ATOM 61 CZ ARG A 315 33.197 -5.460 -1.504 1.00 0.00 C ATOM 62 NH1 ARG A 315 34.258 -6.252 -1.587 1.00 0.00 N ATOM 63 NH2 ARG A 315 32.031 -5.962 -1.122 1.00 0.00 N ATOM 0 H ARG A 315 34.414 0.935 0.354 1.00 0.00 H new ATOM 0 HA ARG A 315 33.711 -1.923 0.364 1.00 0.00 H new ATOM 0 HB2 ARG A 315 35.785 -0.545 -1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 315 36.070 -2.175 -0.758 1.00 0.00 H new ATOM 0 HG2 ARG A 315 33.414 -1.709 -2.023 1.00 0.00 H new ATOM 0 HG3 ARG A 315 34.796 -1.578 -3.093 1.00 0.00 H new ATOM 0 HD2 ARG A 315 34.769 -3.825 -3.250 1.00 0.00 H new ATOM 0 HD3 ARG A 315 35.362 -3.873 -1.601 1.00 0.00 H new ATOM 0 HE ARG A 315 32.462 -3.588 -1.722 1.00 0.00 H new ATOM 0 HH11 ARG A 315 35.158 -5.870 -1.878 1.00 0.00 H new ATOM 0 HH12 ARG A 315 34.174 -7.243 -1.360 1.00 0.00 H new ATOM 0 HH21 ARG A 315 31.213 -5.357 -1.054 1.00 0.00 H new ATOM 0 HH22 ARG A 315 31.952 -6.953 -0.896 1.00 0.00 H new ATOM 77 N ILE A 316 34.777 -1.364 2.642 1.00 0.00 N ATOM 78 CA ILE A 316 35.519 -1.384 3.895 1.00 0.00 C ATOM 79 C ILE A 316 35.381 -2.727 4.605 1.00 0.00 C ATOM 80 O ILE A 316 34.279 -3.148 4.951 1.00 0.00 O ATOM 81 CB ILE A 316 35.044 -0.264 4.837 1.00 0.00 C ATOM 82 CG1 ILE A 316 33.522 -0.160 4.817 1.00 0.00 C ATOM 83 CG2 ILE A 316 35.670 1.064 4.437 1.00 0.00 C ATOM 84 CD1 ILE A 316 32.973 0.719 5.914 1.00 0.00 C ATOM 0 H ILE A 316 33.773 -1.513 2.745 1.00 0.00 H new ATOM 0 HA ILE A 316 36.568 -1.224 3.644 1.00 0.00 H new ATOM 0 HB ILE A 316 35.361 -0.507 5.851 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.204 0.233 3.851 1.00 0.00 H new ATOM 0 HG13 ILE A 316 33.095 -1.158 4.912 1.00 0.00 H new ATOM 0 HG21 ILE A 316 35.325 1.847 5.112 1.00 0.00 H new ATOM 0 HG22 ILE A 316 36.756 0.987 4.496 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.379 1.311 3.416 1.00 0.00 H new ATOM 0 HD11 ILE A 316 31.886 0.751 5.845 1.00 0.00 H new ATOM 0 HD12 ILE A 316 33.263 0.314 6.884 1.00 0.00 H new ATOM 0 HD13 ILE A 316 33.373 1.727 5.807 1.00 0.00 H new ATOM 96 N GLN A 317 36.512 -3.392 4.819 1.00 0.00 N ATOM 97 CA GLN A 317 36.524 -4.687 5.488 1.00 0.00 C ATOM 98 C GLN A 317 37.573 -4.712 6.595 1.00 0.00 C ATOM 99 O GLN A 317 38.500 -3.902 6.602 1.00 0.00 O ATOM 100 CB GLN A 317 36.803 -5.804 4.481 1.00 0.00 C ATOM 101 CG GLN A 317 35.881 -5.777 3.273 1.00 0.00 C ATOM 102 CD GLN A 317 36.626 -5.972 1.966 1.00 0.00 C ATOM 103 OE1 GLN A 317 36.246 -6.800 1.139 1.00 0.00 O ATOM 104 NE2 GLN A 317 37.696 -5.208 1.775 1.00 0.00 N ATOM 0 H GLN A 317 37.433 -3.054 4.538 1.00 0.00 H new ATOM 0 HA GLN A 317 35.543 -4.848 5.934 1.00 0.00 H new ATOM 0 HB2 GLN A 317 37.836 -5.726 4.141 1.00 0.00 H new ATOM 0 HB3 GLN A 317 36.704 -6.767 4.982 1.00 0.00 H new ATOM 0 HG2 GLN A 317 35.128 -6.558 3.378 1.00 0.00 H new ATOM 0 HG3 GLN A 317 35.351 -4.825 3.246 1.00 0.00 H new ATOM 0 HE21 GLN A 317 37.975 -4.534 2.488 1.00 0.00 H new ATOM 0 HE22 GLN A 317 38.238 -5.295 0.915 1.00 0.00 H new ATOM 113 N ARG A 318 37.422 -5.643 7.531 1.00 0.00 N ATOM 114 CA ARG A 318 38.359 -5.768 8.641 1.00 0.00 C ATOM 115 C ARG A 318 39.164 -7.059 8.534 1.00 0.00 C ATOM 116 O ARG A 318 38.766 -7.994 7.839 1.00 0.00 O ATOM 117 CB ARG A 318 37.610 -5.727 9.975 1.00 0.00 C ATOM 118 CG ARG A 318 38.265 -4.830 11.013 1.00 0.00 C ATOM 119 CD ARG A 318 38.027 -5.342 12.423 1.00 0.00 C ATOM 120 NE ARG A 318 36.602 -5.424 12.743 1.00 0.00 N ATOM 121 CZ ARG A 318 36.124 -5.491 13.982 1.00 0.00 C ATOM 122 NH1 ARG A 318 36.949 -5.488 15.022 1.00 0.00 N ATOM 123 NH2 ARG A 318 34.815 -5.563 14.184 1.00 0.00 N ATOM 0 H ARG A 318 36.660 -6.321 7.543 1.00 0.00 H new ATOM 0 HA ARG A 318 39.051 -4.927 8.595 1.00 0.00 H new ATOM 0 HB2 ARG A 318 36.591 -5.382 9.800 1.00 0.00 H new ATOM 0 HB3 ARG A 318 37.540 -6.739 10.374 1.00 0.00 H new ATOM 0 HG2 ARG A 318 39.337 -4.773 10.822 1.00 0.00 H new ATOM 0 HG3 ARG A 318 37.871 -3.818 10.921 1.00 0.00 H new ATOM 0 HD2 ARG A 318 38.480 -6.327 12.532 1.00 0.00 H new ATOM 0 HD3 ARG A 318 38.521 -4.683 13.136 1.00 0.00 H new ATOM 0 HE ARG A 318 35.936 -5.430 11.970 1.00 0.00 H new ATOM 0 HH11 ARG A 318 37.957 -5.434 14.873 1.00 0.00 H new ATOM 0 HH12 ARG A 318 36.575 -5.540 15.970 1.00 0.00 H new ATOM 0 HH21 ARG A 318 34.176 -5.567 13.389 1.00 0.00 H new ATOM 0 HH22 ARG A 318 34.448 -5.614 15.134 1.00 0.00 H new ATOM 137 N GLY A 319 40.298 -7.102 9.225 1.00 0.00 N ATOM 138 CA GLY A 319 41.143 -8.281 9.195 1.00 0.00 C ATOM 139 C GLY A 319 42.539 -7.983 8.677 1.00 0.00 C ATOM 140 O GLY A 319 42.713 -7.105 7.832 1.00 0.00 O ATOM 0 H GLY A 319 40.647 -6.340 9.806 1.00 0.00 H new ATOM 0 HA2 GLY A 319 41.213 -8.699 10.199 1.00 0.00 H new ATOM 0 HA3 GLY A 319 40.680 -9.040 8.565 1.00 0.00 H new ATOM 144 N PRO A 320 43.562 -8.704 9.167 1.00 0.00 N ATOM 145 CA PRO A 320 44.949 -8.501 8.738 1.00 0.00 C ATOM 146 C PRO A 320 45.098 -8.543 7.221 1.00 0.00 C ATOM 147 O PRO A 320 45.115 -9.616 6.618 1.00 0.00 O ATOM 148 CB PRO A 320 45.698 -9.669 9.382 1.00 0.00 C ATOM 149 CG PRO A 320 44.875 -10.039 10.567 1.00 0.00 C ATOM 150 CD PRO A 320 43.447 -9.773 10.178 1.00 0.00 C ATOM 0 HA PRO A 320 45.327 -7.522 9.034 1.00 0.00 H new ATOM 0 HB2 PRO A 320 45.796 -10.506 8.691 1.00 0.00 H new ATOM 0 HB3 PRO A 320 46.707 -9.379 9.676 1.00 0.00 H new ATOM 0 HG2 PRO A 320 45.019 -11.087 10.831 1.00 0.00 H new ATOM 0 HG3 PRO A 320 45.158 -9.449 11.439 1.00 0.00 H new ATOM 0 HD2 PRO A 320 42.969 -10.663 9.769 1.00 0.00 H new ATOM 0 HD3 PRO A 320 42.850 -9.455 11.033 1.00 0.00 H new ATOM 158 N GLY A 321 45.205 -7.368 6.610 1.00 0.00 N ATOM 159 CA GLY A 321 45.351 -7.291 5.168 1.00 0.00 C ATOM 160 C GLY A 321 44.137 -6.686 4.491 1.00 0.00 C ATOM 161 O GLY A 321 43.899 -6.918 3.306 1.00 0.00 O ATOM 0 H GLY A 321 45.193 -6.467 7.088 1.00 0.00 H new ATOM 0 HA2 GLY A 321 46.231 -6.695 4.927 1.00 0.00 H new ATOM 0 HA3 GLY A 321 45.524 -8.291 4.770 1.00 0.00 H new ATOM 165 N ARG A 322 43.365 -5.909 5.245 1.00 0.00 N ATOM 166 CA ARG A 322 42.170 -5.268 4.709 1.00 0.00 C ATOM 167 C ARG A 322 42.342 -3.754 4.656 1.00 0.00 C ATOM 168 O ARG A 322 42.923 -3.154 5.561 1.00 0.00 O ATOM 169 CB ARG A 322 40.949 -5.629 5.559 1.00 0.00 C ATOM 170 CG ARG A 322 40.105 -6.746 4.967 1.00 0.00 C ATOM 171 CD ARG A 322 40.828 -8.081 5.028 1.00 0.00 C ATOM 172 NE ARG A 322 41.584 -8.350 3.807 1.00 0.00 N ATOM 173 CZ ARG A 322 42.157 -9.520 3.533 1.00 0.00 C ATOM 174 NH1 ARG A 322 42.064 -10.529 4.389 1.00 0.00 N ATOM 175 NH2 ARG A 322 42.826 -9.681 2.399 1.00 0.00 N ATOM 0 H ARG A 322 43.546 -5.708 6.229 1.00 0.00 H new ATOM 0 HA ARG A 322 42.016 -5.631 3.693 1.00 0.00 H new ATOM 0 HB2 ARG A 322 41.283 -5.925 6.553 1.00 0.00 H new ATOM 0 HB3 ARG A 322 40.328 -4.742 5.683 1.00 0.00 H new ATOM 0 HG2 ARG A 322 39.162 -6.817 5.508 1.00 0.00 H new ATOM 0 HG3 ARG A 322 39.861 -6.510 3.931 1.00 0.00 H new ATOM 0 HD2 ARG A 322 41.505 -8.088 5.882 1.00 0.00 H new ATOM 0 HD3 ARG A 322 40.103 -8.879 5.189 1.00 0.00 H new ATOM 0 HE ARG A 322 41.678 -7.598 3.125 1.00 0.00 H new ATOM 0 HH11 ARG A 322 41.551 -10.411 5.263 1.00 0.00 H new ATOM 0 HH12 ARG A 322 42.505 -11.423 4.173 1.00 0.00 H new ATOM 0 HH21 ARG A 322 42.901 -8.908 1.737 1.00 0.00 H new ATOM 0 HH22 ARG A 322 43.265 -10.577 2.189 1.00 0.00 H new ATOM 189 N ALA A 323 41.833 -3.142 3.592 1.00 0.00 N ATOM 190 CA ALA A 323 41.931 -1.698 3.421 1.00 0.00 C ATOM 191 C ALA A 323 40.548 -1.064 3.309 1.00 0.00 C ATOM 192 O ALA A 323 39.586 -1.720 2.910 1.00 0.00 O ATOM 193 CB ALA A 323 42.763 -1.369 2.191 1.00 0.00 C ATOM 0 H ALA A 323 41.348 -3.624 2.835 1.00 0.00 H new ATOM 0 HA ALA A 323 42.423 -1.285 4.302 1.00 0.00 H new ATOM 0 HB1 ALA A 323 42.828 -0.287 2.075 1.00 0.00 H new ATOM 0 HB2 ALA A 323 43.765 -1.783 2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.293 -1.801 1.308 1.00 0.00 H new ATOM 199 N PHE A 324 40.457 0.213 3.664 1.00 0.00 N ATOM 200 CA PHE A 324 39.190 0.932 3.603 1.00 0.00 C ATOM 201 C PHE A 324 39.169 1.885 2.412 1.00 0.00 C ATOM 202 O PHE A 324 39.873 2.893 2.399 1.00 0.00 O ATOM 203 CB PHE A 324 38.955 1.713 4.897 1.00 0.00 C ATOM 204 CG PHE A 324 38.513 0.854 6.048 1.00 0.00 C ATOM 205 CD1 PHE A 324 39.157 -0.339 6.331 1.00 0.00 C ATOM 206 CD2 PHE A 324 37.448 1.242 6.847 1.00 0.00 C ATOM 207 CE1 PHE A 324 38.749 -1.129 7.388 1.00 0.00 C ATOM 208 CE2 PHE A 324 37.036 0.456 7.906 1.00 0.00 C ATOM 209 CZ PHE A 324 37.687 -0.731 8.177 1.00 0.00 C ATOM 0 H PHE A 324 41.244 0.771 3.996 1.00 0.00 H new ATOM 0 HA PHE A 324 38.391 0.201 3.481 1.00 0.00 H new ATOM 0 HB2 PHE A 324 39.875 2.229 5.172 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.201 2.480 4.717 1.00 0.00 H new ATOM 0 HD1 PHE A 324 39.988 -0.655 5.718 1.00 0.00 H new ATOM 0 HD2 PHE A 324 36.935 2.169 6.639 1.00 0.00 H new ATOM 0 HE1 PHE A 324 39.260 -2.057 7.598 1.00 0.00 H new ATOM 0 HE2 PHE A 324 36.206 0.770 8.521 1.00 0.00 H new ATOM 0 HZ PHE A 324 37.367 -1.347 9.004 1.00 0.00 H new ATOM 219 N VAL A 325 38.356 1.558 1.412 1.00 0.00 N ATOM 220 CA VAL A 325 38.245 2.386 0.217 1.00 0.00 C ATOM 221 C VAL A 325 36.803 2.826 -0.015 1.00 0.00 C ATOM 222 O VAL A 325 35.876 2.297 0.597 1.00 0.00 O ATOM 223 CB VAL A 325 38.748 1.640 -1.034 1.00 0.00 C ATOM 224 CG1 VAL A 325 40.266 1.682 -1.108 1.00 0.00 C ATOM 225 CG2 VAL A 325 38.246 0.203 -1.041 1.00 0.00 C ATOM 0 H VAL A 325 37.765 0.726 1.406 1.00 0.00 H new ATOM 0 HA VAL A 325 38.869 3.264 0.383 1.00 0.00 H new ATOM 0 HB VAL A 325 38.350 2.142 -1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 325 40.602 1.150 -1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 325 40.599 2.719 -1.158 1.00 0.00 H new ATOM 0 HG13 VAL A 325 40.687 1.208 -0.221 1.00 0.00 H new ATOM 0 HG21 VAL A 325 38.612 -0.306 -1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 325 38.610 -0.314 -0.153 1.00 0.00 H new ATOM 0 HG23 VAL A 325 37.156 0.198 -1.043 1.00 0.00 H new ATOM 235 N THR A 326 36.624 3.796 -0.906 1.00 0.00 N ATOM 236 CA THR A 326 35.299 4.308 -1.223 1.00 0.00 C ATOM 237 C THR A 326 35.193 4.665 -2.701 1.00 0.00 C ATOM 238 O THR A 326 35.995 5.440 -3.222 1.00 0.00 O ATOM 239 CB THR A 326 34.982 5.535 -0.366 1.00 0.00 C ATOM 240 OG1 THR A 326 36.019 6.494 -0.462 1.00 0.00 O ATOM 241 CG2 THR A 326 34.790 5.211 1.100 1.00 0.00 C ATOM 0 H THR A 326 37.383 4.243 -1.421 1.00 0.00 H new ATOM 0 HA THR A 326 34.574 3.525 -1.004 1.00 0.00 H new ATOM 0 HB THR A 326 34.044 5.926 -0.759 1.00 0.00 H new ATOM 0 HG1 THR A 326 36.443 6.430 -1.343 1.00 0.00 H new ATOM 0 HG21 THR A 326 34.568 6.126 1.649 1.00 0.00 H new ATOM 0 HG22 THR A 326 33.962 4.511 1.213 1.00 0.00 H new ATOM 0 HG23 THR A 326 35.701 4.762 1.496 1.00 0.00 H new ATOM 249 N ILE A 327 34.200 4.094 -3.374 1.00 0.00 N ATOM 250 CA ILE A 327 33.991 4.350 -4.794 1.00 0.00 C ATOM 251 C ILE A 327 32.650 5.034 -5.035 1.00 0.00 C ATOM 252 O ILE A 327 31.741 4.951 -4.209 1.00 0.00 O ATOM 253 CB ILE A 327 34.048 3.047 -5.615 1.00 0.00 C ATOM 254 CG1 ILE A 327 35.318 2.261 -5.283 1.00 0.00 C ATOM 255 CG2 ILE A 327 33.984 3.355 -7.104 1.00 0.00 C ATOM 256 CD1 ILE A 327 35.141 0.762 -5.377 1.00 0.00 C ATOM 0 H ILE A 327 33.527 3.450 -2.958 1.00 0.00 H new ATOM 0 HA ILE A 327 34.796 5.009 -5.120 1.00 0.00 H new ATOM 0 HB ILE A 327 33.186 2.434 -5.352 1.00 0.00 H new ATOM 0 HG12 ILE A 327 36.114 2.568 -5.961 1.00 0.00 H new ATOM 0 HG13 ILE A 327 35.642 2.518 -4.275 1.00 0.00 H new ATOM 0 HG21 ILE A 327 34.025 2.424 -7.670 1.00 0.00 H new ATOM 0 HG22 ILE A 327 33.053 3.875 -7.328 1.00 0.00 H new ATOM 0 HG23 ILE A 327 34.828 3.986 -7.382 1.00 0.00 H new ATOM 0 HD11 ILE A 327 36.081 0.268 -5.129 1.00 0.00 H new ATOM 0 HD12 ILE A 327 34.368 0.442 -4.679 1.00 0.00 H new ATOM 0 HD13 ILE A 327 34.847 0.493 -6.392 1.00 0.00 H new ATOM 268 N GLY A 328 32.532 5.710 -6.173 1.00 0.00 N ATOM 269 CA GLY A 328 31.298 6.399 -6.502 1.00 0.00 C ATOM 270 C GLY A 328 31.530 7.631 -7.353 1.00 0.00 C ATOM 271 O GLY A 328 32.664 7.932 -7.725 1.00 0.00 O ATOM 0 H GLY A 328 33.269 5.793 -6.873 1.00 0.00 H new ATOM 0 HA2 GLY A 328 30.634 5.716 -7.031 1.00 0.00 H new ATOM 0 HA3 GLY A 328 30.790 6.688 -5.582 1.00 0.00 H new TER 275 GLY A 328