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 19:sc= 0.00735 USER MOD Single : A 317 GLN : amide:sc=-0.00523 X(o=-0.0052,f=0) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 27.145 6.485 -4.744 1.00 0.00 N ATOM 2 CA LYS A 312 27.803 6.113 -3.497 1.00 0.00 C ATOM 3 C LYS A 312 28.186 4.637 -3.499 1.00 0.00 C ATOM 4 O LYS A 312 27.323 3.760 -3.498 1.00 0.00 O ATOM 5 CB LYS A 312 26.892 6.414 -2.307 1.00 0.00 C ATOM 6 CG LYS A 312 27.156 7.768 -1.668 1.00 0.00 C ATOM 7 CD LYS A 312 28.507 7.800 -0.972 1.00 0.00 C ATOM 8 CE LYS A 312 29.216 9.128 -1.189 1.00 0.00 C ATOM 9 NZ LYS A 312 30.252 9.036 -2.255 1.00 0.00 N ATOM 0 HA LYS A 312 28.715 6.704 -3.408 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.853 6.372 -2.635 1.00 0.00 H new ATOM 0 HB3 LYS A 312 27.020 5.635 -1.555 1.00 0.00 H new ATOM 0 HG2 LYS A 312 27.120 8.545 -2.431 1.00 0.00 H new ATOM 0 HG3 LYS A 312 26.369 7.992 -0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 312 28.371 7.629 0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 312 29.130 6.988 -1.348 1.00 0.00 H new ATOM 0 HE2 LYS A 312 28.485 9.890 -1.458 1.00 0.00 H new ATOM 0 HE3 LYS A 312 29.682 9.448 -0.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 30.712 9.961 -2.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 30.964 8.327 -1.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 29.804 8.756 -3.151 1.00 0.00 H new ATOM 23 N SER A 313 29.488 4.372 -3.500 1.00 0.00 N ATOM 24 CA SER A 313 29.993 3.003 -3.498 1.00 0.00 C ATOM 25 C SER A 313 31.237 2.890 -2.623 1.00 0.00 C ATOM 26 O SER A 313 32.183 3.662 -2.775 1.00 0.00 O ATOM 27 CB SER A 313 30.317 2.556 -4.924 1.00 0.00 C ATOM 28 OG SER A 313 29.156 2.093 -5.591 1.00 0.00 O ATOM 0 H SER A 313 30.214 5.088 -3.502 1.00 0.00 H new ATOM 0 HA SER A 313 29.219 2.354 -3.089 1.00 0.00 H new ATOM 0 HB2 SER A 313 30.751 3.388 -5.479 1.00 0.00 H new ATOM 0 HB3 SER A 313 31.066 1.764 -4.899 1.00 0.00 H new ATOM 0 HG SER A 313 28.359 2.431 -5.132 1.00 0.00 H new ATOM 34 N ILE A 314 31.230 1.928 -1.708 1.00 0.00 N ATOM 35 CA ILE A 314 32.366 1.724 -0.813 1.00 0.00 C ATOM 36 C ILE A 314 32.694 0.248 -0.657 1.00 0.00 C ATOM 37 O ILE A 314 31.858 -0.620 -0.910 1.00 0.00 O ATOM 38 CB ILE A 314 32.110 2.306 0.593 1.00 0.00 C ATOM 39 CG1 ILE A 314 31.258 3.574 0.515 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.431 2.595 1.290 1.00 0.00 C ATOM 41 CD1 ILE A 314 31.923 4.704 -0.238 1.00 0.00 C ATOM 0 H ILE A 314 30.456 1.279 -1.565 1.00 0.00 H new ATOM 0 HA ILE A 314 33.204 2.247 -1.275 1.00 0.00 H new ATOM 0 HB ILE A 314 31.560 1.566 1.174 1.00 0.00 H new ATOM 0 HG12 ILE A 314 30.310 3.336 0.033 1.00 0.00 H new ATOM 0 HG13 ILE A 314 31.026 3.909 1.526 1.00 0.00 H new ATOM 0 HG21 ILE A 314 33.237 3.005 2.281 1.00 0.00 H new ATOM 0 HG22 ILE A 314 34.002 1.671 1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 314 34.001 3.316 0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 314 31.261 5.570 -0.253 1.00 0.00 H new ATOM 0 HD12 ILE A 314 32.858 4.970 0.256 1.00 0.00 H new ATOM 0 HD13 ILE A 314 32.130 4.388 -1.260 1.00 0.00 H new ATOM 53 N ARG A 315 33.916 -0.025 -0.219 1.00 0.00 N ATOM 54 CA ARG A 315 34.366 -1.391 -0.001 1.00 0.00 C ATOM 55 C ARG A 315 35.210 -1.463 1.266 1.00 0.00 C ATOM 56 O ARG A 315 36.440 -1.469 1.209 1.00 0.00 O ATOM 57 CB ARG A 315 35.173 -1.892 -1.198 1.00 0.00 C ATOM 58 CG ARG A 315 34.467 -1.703 -2.531 1.00 0.00 C ATOM 59 CD ARG A 315 33.274 -2.635 -2.669 1.00 0.00 C ATOM 60 NE ARG A 315 33.681 -4.036 -2.769 1.00 0.00 N ATOM 61 CZ ARG A 315 34.115 -4.603 -3.892 1.00 0.00 C ATOM 62 NH1 ARG A 315 34.208 -3.895 -5.011 1.00 0.00 N ATOM 63 NH2 ARG A 315 34.460 -5.883 -3.895 1.00 0.00 N ATOM 0 H ARG A 315 34.616 0.686 -0.007 1.00 0.00 H new ATOM 0 HA ARG A 315 33.491 -2.030 0.114 1.00 0.00 H new ATOM 0 HB2 ARG A 315 36.129 -1.369 -1.225 1.00 0.00 H new ATOM 0 HB3 ARG A 315 35.393 -2.951 -1.060 1.00 0.00 H new ATOM 0 HG2 ARG A 315 34.135 -0.669 -2.624 1.00 0.00 H new ATOM 0 HG3 ARG A 315 35.169 -1.886 -3.344 1.00 0.00 H new ATOM 0 HD2 ARG A 315 32.615 -2.510 -1.810 1.00 0.00 H new ATOM 0 HD3 ARG A 315 32.700 -2.360 -3.554 1.00 0.00 H new ATOM 0 HE ARG A 315 33.629 -4.612 -1.929 1.00 0.00 H new ATOM 0 HH11 ARG A 315 33.946 -2.909 -5.014 1.00 0.00 H new ATOM 0 HH12 ARG A 315 34.542 -4.337 -5.868 1.00 0.00 H new ATOM 0 HH21 ARG A 315 34.393 -6.431 -3.038 1.00 0.00 H new ATOM 0 HH22 ARG A 315 34.793 -6.319 -4.755 1.00 0.00 H new ATOM 77 N ILE A 316 34.534 -1.504 2.408 1.00 0.00 N ATOM 78 CA ILE A 316 35.209 -1.561 3.697 1.00 0.00 C ATOM 79 C ILE A 316 34.884 -2.856 4.434 1.00 0.00 C ATOM 80 O ILE A 316 33.751 -3.069 4.865 1.00 0.00 O ATOM 81 CB ILE A 316 34.823 -0.363 4.583 1.00 0.00 C ATOM 82 CG1 ILE A 316 33.335 -0.042 4.434 1.00 0.00 C ATOM 83 CG2 ILE A 316 35.669 0.853 4.227 1.00 0.00 C ATOM 84 CD1 ILE A 316 32.845 0.976 5.435 1.00 0.00 C ATOM 0 H ILE A 316 33.516 -1.499 2.466 1.00 0.00 H new ATOM 0 HA ILE A 316 36.280 -1.524 3.496 1.00 0.00 H new ATOM 0 HB ILE A 316 35.014 -0.627 5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.149 0.330 3.426 1.00 0.00 H new ATOM 0 HG13 ILE A 316 32.758 -0.960 4.547 1.00 0.00 H new ATOM 0 HG21 ILE A 316 35.385 1.692 4.862 1.00 0.00 H new ATOM 0 HG22 ILE A 316 36.723 0.621 4.382 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.506 1.117 3.182 1.00 0.00 H new ATOM 0 HD11 ILE A 316 31.782 1.160 5.276 1.00 0.00 H new ATOM 0 HD12 ILE A 316 33.001 0.597 6.445 1.00 0.00 H new ATOM 0 HD13 ILE A 316 33.397 1.907 5.307 1.00 0.00 H new ATOM 96 N GLN A 317 35.887 -3.717 4.574 1.00 0.00 N ATOM 97 CA GLN A 317 35.711 -4.993 5.258 1.00 0.00 C ATOM 98 C GLN A 317 36.716 -5.143 6.395 1.00 0.00 C ATOM 99 O GLN A 317 37.882 -4.774 6.258 1.00 0.00 O ATOM 100 CB GLN A 317 35.867 -6.149 4.268 1.00 0.00 C ATOM 101 CG GLN A 317 37.122 -6.056 3.416 1.00 0.00 C ATOM 102 CD GLN A 317 36.831 -5.613 1.995 1.00 0.00 C ATOM 103 OE1 GLN A 317 36.339 -6.392 1.179 1.00 0.00 O ATOM 104 NE2 GLN A 317 37.136 -4.357 1.692 1.00 0.00 N ATOM 0 H GLN A 317 36.831 -3.554 4.223 1.00 0.00 H new ATOM 0 HA GLN A 317 34.706 -5.017 5.680 1.00 0.00 H new ATOM 0 HB2 GLN A 317 35.881 -7.089 4.820 1.00 0.00 H new ATOM 0 HB3 GLN A 317 34.995 -6.176 3.614 1.00 0.00 H new ATOM 0 HG2 GLN A 317 37.818 -5.354 3.876 1.00 0.00 H new ATOM 0 HG3 GLN A 317 37.616 -7.028 3.396 1.00 0.00 H new ATOM 0 HE21 GLN A 317 37.543 -3.746 2.400 1.00 0.00 H new ATOM 0 HE22 GLN A 317 36.964 -4.003 0.751 1.00 0.00 H new ATOM 113 N ARG A 318 36.256 -5.685 7.518 1.00 0.00 N ATOM 114 CA ARG A 318 37.115 -5.882 8.680 1.00 0.00 C ATOM 115 C ARG A 318 37.793 -7.247 8.631 1.00 0.00 C ATOM 116 O ARG A 318 37.160 -8.254 8.308 1.00 0.00 O ATOM 117 CB ARG A 318 36.307 -5.751 9.975 1.00 0.00 C ATOM 118 CG ARG A 318 35.082 -4.858 9.851 1.00 0.00 C ATOM 119 CD ARG A 318 34.658 -4.299 11.199 1.00 0.00 C ATOM 120 NE ARG A 318 35.078 -2.911 11.370 1.00 0.00 N ATOM 121 CZ ARG A 318 34.593 -2.099 12.307 1.00 0.00 C ATOM 122 NH1 ARG A 318 33.669 -2.533 13.155 1.00 0.00 N ATOM 123 NH2 ARG A 318 35.032 -0.850 12.395 1.00 0.00 N ATOM 0 H ARG A 318 35.293 -5.996 7.648 1.00 0.00 H new ATOM 0 HA ARG A 318 37.884 -5.110 8.661 1.00 0.00 H new ATOM 0 HB2 ARG A 318 35.990 -6.743 10.295 1.00 0.00 H new ATOM 0 HB3 ARG A 318 36.955 -5.355 10.757 1.00 0.00 H new ATOM 0 HG2 ARG A 318 35.298 -4.037 9.167 1.00 0.00 H new ATOM 0 HG3 ARG A 318 34.259 -5.426 9.417 1.00 0.00 H new ATOM 0 HD2 ARG A 318 33.574 -4.365 11.294 1.00 0.00 H new ATOM 0 HD3 ARG A 318 35.086 -4.908 11.995 1.00 0.00 H new ATOM 0 HE ARG A 318 35.785 -2.542 10.734 1.00 0.00 H new ATOM 0 HH11 ARG A 318 33.328 -3.492 13.090 1.00 0.00 H new ATOM 0 HH12 ARG A 318 33.300 -1.908 13.871 1.00 0.00 H new ATOM 0 HH21 ARG A 318 35.741 -0.512 11.745 1.00 0.00 H new ATOM 0 HH22 ARG A 318 34.660 -0.228 13.113 1.00 0.00 H new ATOM 137 N GLY A 319 39.081 -7.274 8.951 1.00 0.00 N ATOM 138 CA GLY A 319 39.825 -8.520 8.938 1.00 0.00 C ATOM 139 C GLY A 319 41.310 -8.309 9.171 1.00 0.00 C ATOM 140 O GLY A 319 41.782 -7.173 9.179 1.00 0.00 O ATOM 0 H GLY A 319 39.625 -6.454 9.220 1.00 0.00 H new ATOM 0 HA2 GLY A 319 39.430 -9.184 9.707 1.00 0.00 H new ATOM 0 HA3 GLY A 319 39.677 -9.018 7.980 1.00 0.00 H new ATOM 144 N PRO A 320 42.079 -9.394 9.363 1.00 0.00 N ATOM 145 CA PRO A 320 43.524 -9.307 9.595 1.00 0.00 C ATOM 146 C PRO A 320 44.256 -8.652 8.428 1.00 0.00 C ATOM 147 O PRO A 320 44.635 -9.321 7.467 1.00 0.00 O ATOM 148 CB PRO A 320 43.960 -10.769 9.752 1.00 0.00 C ATOM 149 CG PRO A 320 42.864 -11.571 9.137 1.00 0.00 C ATOM 150 CD PRO A 320 41.605 -10.788 9.365 1.00 0.00 C ATOM 0 HA PRO A 320 43.758 -8.690 10.463 1.00 0.00 H new ATOM 0 HB2 PRO A 320 44.911 -10.952 9.252 1.00 0.00 H new ATOM 0 HB3 PRO A 320 44.097 -11.029 10.802 1.00 0.00 H new ATOM 0 HG2 PRO A 320 43.042 -11.724 8.073 1.00 0.00 H new ATOM 0 HG3 PRO A 320 42.798 -12.558 9.594 1.00 0.00 H new ATOM 0 HD2 PRO A 320 40.871 -10.966 8.579 1.00 0.00 H new ATOM 0 HD3 PRO A 320 41.131 -11.052 10.310 1.00 0.00 H new ATOM 158 N GLY A 321 44.449 -7.341 8.520 1.00 0.00 N ATOM 159 CA GLY A 321 45.131 -6.617 7.465 1.00 0.00 C ATOM 160 C GLY A 321 44.213 -6.281 6.306 1.00 0.00 C ATOM 161 O GLY A 321 44.605 -6.382 5.144 1.00 0.00 O ATOM 0 H GLY A 321 44.145 -6.767 9.307 1.00 0.00 H new ATOM 0 HA2 GLY A 321 45.549 -5.696 7.872 1.00 0.00 H new ATOM 0 HA3 GLY A 321 45.967 -7.214 7.101 1.00 0.00 H new ATOM 165 N ARG A 322 42.985 -5.882 6.624 1.00 0.00 N ATOM 166 CA ARG A 322 42.007 -5.530 5.602 1.00 0.00 C ATOM 167 C ARG A 322 42.089 -4.048 5.253 1.00 0.00 C ATOM 168 O ARG A 322 42.132 -3.193 6.137 1.00 0.00 O ATOM 169 CB ARG A 322 40.593 -5.877 6.079 1.00 0.00 C ATOM 170 CG ARG A 322 40.289 -7.365 6.044 1.00 0.00 C ATOM 171 CD ARG A 322 40.061 -7.855 4.624 1.00 0.00 C ATOM 172 NE ARG A 322 41.318 -8.124 3.930 1.00 0.00 N ATOM 173 CZ ARG A 322 41.431 -8.212 2.607 1.00 0.00 C ATOM 174 NH1 ARG A 322 40.367 -8.049 1.830 1.00 0.00 N ATOM 175 NH2 ARG A 322 42.612 -8.462 2.059 1.00 0.00 N ATOM 0 H ARG A 322 42.644 -5.795 7.581 1.00 0.00 H new ATOM 0 HA ARG A 322 42.234 -6.107 4.705 1.00 0.00 H new ATOM 0 HB2 ARG A 322 40.462 -5.511 7.097 1.00 0.00 H new ATOM 0 HB3 ARG A 322 39.869 -5.352 5.456 1.00 0.00 H new ATOM 0 HG2 ARG A 322 41.116 -7.917 6.492 1.00 0.00 H new ATOM 0 HG3 ARG A 322 39.405 -7.571 6.647 1.00 0.00 H new ATOM 0 HD2 ARG A 322 39.458 -8.762 4.646 1.00 0.00 H new ATOM 0 HD3 ARG A 322 39.493 -7.108 4.069 1.00 0.00 H new ATOM 0 HE ARG A 322 42.159 -8.252 4.493 1.00 0.00 H new ATOM 0 HH11 ARG A 322 39.456 -7.855 2.246 1.00 0.00 H new ATOM 0 HH12 ARG A 322 40.460 -8.118 0.817 1.00 0.00 H new ATOM 0 HH21 ARG A 322 43.433 -8.587 2.651 1.00 0.00 H new ATOM 0 HH22 ARG A 322 42.700 -8.530 1.045 1.00 0.00 H new ATOM 189 N ALA A 323 42.111 -3.752 3.957 1.00 0.00 N ATOM 190 CA ALA A 323 42.189 -2.373 3.489 1.00 0.00 C ATOM 191 C ALA A 323 40.800 -1.771 3.312 1.00 0.00 C ATOM 192 O ALA A 323 39.793 -2.477 3.380 1.00 0.00 O ATOM 193 CB ALA A 323 42.964 -2.304 2.181 1.00 0.00 C ATOM 0 H ALA A 323 42.076 -4.449 3.213 1.00 0.00 H new ATOM 0 HA ALA A 323 42.715 -1.790 4.245 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.015 -1.269 1.842 1.00 0.00 H new ATOM 0 HB2 ALA A 323 43.973 -2.685 2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.460 -2.908 1.427 1.00 0.00 H new ATOM 199 N PHE A 324 40.751 -0.462 3.087 1.00 0.00 N ATOM 200 CA PHE A 324 39.485 0.237 2.902 1.00 0.00 C ATOM 201 C PHE A 324 39.544 1.162 1.691 1.00 0.00 C ATOM 202 O PHE A 324 40.381 2.063 1.628 1.00 0.00 O ATOM 203 CB PHE A 324 39.137 1.044 4.154 1.00 0.00 C ATOM 204 CG PHE A 324 39.175 0.236 5.420 1.00 0.00 C ATOM 205 CD1 PHE A 324 38.450 -0.940 5.528 1.00 0.00 C ATOM 206 CD2 PHE A 324 39.935 0.653 6.500 1.00 0.00 C ATOM 207 CE1 PHE A 324 38.483 -1.685 6.692 1.00 0.00 C ATOM 208 CE2 PHE A 324 39.971 -0.088 7.666 1.00 0.00 C ATOM 209 CZ PHE A 324 39.244 -1.258 7.762 1.00 0.00 C ATOM 0 H PHE A 324 41.575 0.137 3.028 1.00 0.00 H new ATOM 0 HA PHE A 324 38.710 -0.510 2.729 1.00 0.00 H new ATOM 0 HB2 PHE A 324 39.833 1.878 4.244 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.141 1.472 4.035 1.00 0.00 H new ATOM 0 HD1 PHE A 324 37.853 -1.278 4.694 1.00 0.00 H new ATOM 0 HD2 PHE A 324 40.506 1.567 6.430 1.00 0.00 H new ATOM 0 HE1 PHE A 324 37.914 -2.600 6.764 1.00 0.00 H new ATOM 0 HE2 PHE A 324 40.567 0.248 8.501 1.00 0.00 H new ATOM 0 HZ PHE A 324 39.271 -1.838 8.673 1.00 0.00 H new ATOM 219 N VAL A 325 38.649 0.939 0.733 1.00 0.00 N ATOM 220 CA VAL A 325 38.601 1.760 -0.472 1.00 0.00 C ATOM 221 C VAL A 325 37.194 2.302 -0.709 1.00 0.00 C ATOM 222 O VAL A 325 36.213 1.734 -0.229 1.00 0.00 O ATOM 223 CB VAL A 325 39.061 0.969 -1.714 1.00 0.00 C ATOM 224 CG1 VAL A 325 38.142 -0.216 -1.969 1.00 0.00 C ATOM 225 CG2 VAL A 325 39.121 1.876 -2.934 1.00 0.00 C ATOM 0 H VAL A 325 37.949 0.198 0.768 1.00 0.00 H new ATOM 0 HA VAL A 325 39.285 2.594 -0.316 1.00 0.00 H new ATOM 0 HB VAL A 325 40.063 0.586 -1.523 1.00 0.00 H new ATOM 0 HG11 VAL A 325 38.485 -0.760 -2.849 1.00 0.00 H new ATOM 0 HG12 VAL A 325 38.156 -0.880 -1.105 1.00 0.00 H new ATOM 0 HG13 VAL A 325 37.126 0.141 -2.136 1.00 0.00 H new ATOM 0 HG21 VAL A 325 39.447 1.300 -3.800 1.00 0.00 H new ATOM 0 HG22 VAL A 325 38.132 2.292 -3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 325 39.826 2.686 -2.751 1.00 0.00 H new ATOM 235 N THR A 326 37.102 3.404 -1.446 1.00 0.00 N ATOM 236 CA THR A 326 35.814 4.020 -1.738 1.00 0.00 C ATOM 237 C THR A 326 35.761 4.528 -3.175 1.00 0.00 C ATOM 238 O THR A 326 36.746 5.049 -3.699 1.00 0.00 O ATOM 239 CB THR A 326 35.542 5.172 -0.768 1.00 0.00 C ATOM 240 OG1 THR A 326 36.284 6.321 -1.135 1.00 0.00 O ATOM 241 CG2 THR A 326 35.887 4.841 0.669 1.00 0.00 C ATOM 0 H THR A 326 37.903 3.888 -1.851 1.00 0.00 H new ATOM 0 HA THR A 326 35.044 3.259 -1.614 1.00 0.00 H new ATOM 0 HB THR A 326 34.470 5.357 -0.832 1.00 0.00 H new ATOM 0 HG1 THR A 326 36.096 7.047 -0.504 1.00 0.00 H new ATOM 0 HG21 THR A 326 35.670 5.701 1.303 1.00 0.00 H new ATOM 0 HG22 THR A 326 35.293 3.988 0.999 1.00 0.00 H new ATOM 0 HG23 THR A 326 36.946 4.595 0.741 1.00 0.00 H new ATOM 249 N ILE A 327 34.601 4.375 -3.807 1.00 0.00 N ATOM 250 CA ILE A 327 34.411 4.818 -5.180 1.00 0.00 C ATOM 251 C ILE A 327 33.100 5.586 -5.328 1.00 0.00 C ATOM 252 O ILE A 327 32.141 5.342 -4.596 1.00 0.00 O ATOM 253 CB ILE A 327 34.413 3.623 -6.155 1.00 0.00 C ATOM 254 CG1 ILE A 327 34.264 4.113 -7.595 1.00 0.00 C ATOM 255 CG2 ILE A 327 33.301 2.646 -5.803 1.00 0.00 C ATOM 256 CD1 ILE A 327 34.892 3.188 -8.616 1.00 0.00 C ATOM 0 H ILE A 327 33.777 3.946 -3.386 1.00 0.00 H new ATOM 0 HA ILE A 327 35.243 5.478 -5.425 1.00 0.00 H new ATOM 0 HB ILE A 327 35.366 3.102 -6.065 1.00 0.00 H new ATOM 0 HG12 ILE A 327 33.204 4.228 -7.824 1.00 0.00 H new ATOM 0 HG13 ILE A 327 34.718 5.100 -7.683 1.00 0.00 H new ATOM 0 HG21 ILE A 327 33.317 1.809 -6.501 1.00 0.00 H new ATOM 0 HG22 ILE A 327 33.450 2.275 -4.789 1.00 0.00 H new ATOM 0 HG23 ILE A 327 32.338 3.153 -5.866 1.00 0.00 H new ATOM 0 HD11 ILE A 327 34.748 3.598 -9.616 1.00 0.00 H new ATOM 0 HD12 ILE A 327 35.959 3.092 -8.413 1.00 0.00 H new ATOM 0 HD13 ILE A 327 34.422 2.206 -8.555 1.00 0.00 H new ATOM 268 N GLY A 328 33.066 6.514 -6.279 1.00 0.00 N ATOM 269 CA GLY A 328 31.866 7.300 -6.502 1.00 0.00 C ATOM 270 C GLY A 328 32.173 8.725 -6.917 1.00 0.00 C ATOM 271 O GLY A 328 33.301 9.195 -6.769 1.00 0.00 O ATOM 0 H GLY A 328 33.846 6.736 -6.898 1.00 0.00 H new ATOM 0 HA2 GLY A 328 31.261 6.823 -7.273 1.00 0.00 H new ATOM 0 HA3 GLY A 328 31.269 7.311 -5.590 1.00 0.00 H new TER 275 GLY A 328