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 13:sc= 0.277 USER MOD Single : A 317 GLN : amide:sc= -0.41 X(o=-0.41,f=0) USER MOD Single : A 326 THR OG1 : rot 17:sc= 0.158 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.899 5.603 -5.295 1.00 0.00 N ATOM 2 CA LYS A 312 27.641 5.396 -4.056 1.00 0.00 C ATOM 3 C LYS A 312 27.824 3.909 -3.769 1.00 0.00 C ATOM 4 O LYS A 312 26.851 3.175 -3.599 1.00 0.00 O ATOM 5 CB LYS A 312 26.919 6.067 -2.887 1.00 0.00 C ATOM 6 CG LYS A 312 27.133 7.571 -2.822 1.00 0.00 C ATOM 7 CD LYS A 312 28.523 7.919 -2.310 1.00 0.00 C ATOM 8 CE LYS A 312 29.330 8.675 -3.354 1.00 0.00 C ATOM 9 NZ LYS A 312 30.791 8.424 -3.218 1.00 0.00 N ATOM 0 HA LYS A 312 28.626 5.847 -4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.851 5.863 -2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 312 27.261 5.619 -1.954 1.00 0.00 H new ATOM 0 HG2 LYS A 312 26.992 8.002 -3.813 1.00 0.00 H new ATOM 0 HG3 LYS A 312 26.382 8.018 -2.170 1.00 0.00 H new ATOM 0 HD2 LYS A 312 28.438 8.523 -1.407 1.00 0.00 H new ATOM 0 HD3 LYS A 312 29.049 7.005 -2.034 1.00 0.00 H new ATOM 0 HE2 LYS A 312 29.002 8.378 -4.350 1.00 0.00 H new ATOM 0 HE3 LYS A 312 29.135 9.743 -3.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 31.304 8.958 -3.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 31.110 8.731 -2.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 30.981 7.408 -3.334 1.00 0.00 H new ATOM 23 N SER A 313 29.078 3.474 -3.715 1.00 0.00 N ATOM 24 CA SER A 313 29.393 2.076 -3.446 1.00 0.00 C ATOM 25 C SER A 313 30.732 1.954 -2.729 1.00 0.00 C ATOM 26 O SER A 313 31.791 2.041 -3.351 1.00 0.00 O ATOM 27 CB SER A 313 29.423 1.276 -4.751 1.00 0.00 C ATOM 28 OG SER A 313 28.112 0.967 -5.191 1.00 0.00 O ATOM 0 H SER A 313 29.894 4.070 -3.854 1.00 0.00 H new ATOM 0 HA SER A 313 28.615 1.670 -2.800 1.00 0.00 H new ATOM 0 HB2 SER A 313 29.942 1.848 -5.520 1.00 0.00 H new ATOM 0 HB3 SER A 313 29.987 0.355 -4.603 1.00 0.00 H new ATOM 0 HG SER A 313 27.463 1.502 -4.687 1.00 0.00 H new ATOM 34 N ILE A 314 30.681 1.756 -1.415 1.00 0.00 N ATOM 35 CA ILE A 314 31.893 1.629 -0.615 1.00 0.00 C ATOM 36 C ILE A 314 32.314 0.174 -0.469 1.00 0.00 C ATOM 37 O ILE A 314 31.508 -0.742 -0.639 1.00 0.00 O ATOM 38 CB ILE A 314 31.720 2.219 0.799 1.00 0.00 C ATOM 39 CG1 ILE A 314 30.815 3.451 0.773 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.076 2.568 1.394 1.00 0.00 C ATOM 41 CD1 ILE A 314 31.317 4.551 -0.136 1.00 0.00 C ATOM 0 H ILE A 314 29.814 1.680 -0.883 1.00 0.00 H new ATOM 0 HA ILE A 314 32.661 2.189 -1.149 1.00 0.00 H new ATOM 0 HB ILE A 314 31.244 1.465 1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 314 29.817 3.152 0.451 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.719 3.843 1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 314 32.939 2.984 2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 314 33.688 1.668 1.456 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.573 3.302 0.760 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.626 5.393 -0.104 1.00 0.00 H new ATOM 0 HD12 ILE A 314 32.302 4.878 0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 314 31.386 4.176 -1.157 1.00 0.00 H new ATOM 53 N ARG A 315 33.580 -0.025 -0.130 1.00 0.00 N ATOM 54 CA ARG A 315 34.121 -1.360 0.070 1.00 0.00 C ATOM 55 C ARG A 315 35.086 -1.357 1.247 1.00 0.00 C ATOM 56 O ARG A 315 36.304 -1.305 1.068 1.00 0.00 O ATOM 57 CB ARG A 315 34.829 -1.848 -1.195 1.00 0.00 C ATOM 58 CG ARG A 315 33.938 -2.668 -2.114 1.00 0.00 C ATOM 59 CD ARG A 315 34.754 -3.451 -3.130 1.00 0.00 C ATOM 60 NE ARG A 315 35.544 -4.506 -2.500 1.00 0.00 N ATOM 61 CZ ARG A 315 36.575 -5.110 -3.087 1.00 0.00 C ATOM 62 NH1 ARG A 315 36.943 -4.768 -4.315 1.00 0.00 N ATOM 63 NH2 ARG A 315 37.240 -6.060 -2.444 1.00 0.00 N ATOM 0 H ARG A 315 34.254 0.727 0.013 1.00 0.00 H new ATOM 0 HA ARG A 315 33.299 -2.042 0.287 1.00 0.00 H new ATOM 0 HB2 ARG A 315 35.208 -0.986 -1.744 1.00 0.00 H new ATOM 0 HB3 ARG A 315 35.692 -2.449 -0.909 1.00 0.00 H new ATOM 0 HG2 ARG A 315 33.337 -3.357 -1.520 1.00 0.00 H new ATOM 0 HG3 ARG A 315 33.245 -2.007 -2.634 1.00 0.00 H new ATOM 0 HD2 ARG A 315 34.086 -3.891 -3.870 1.00 0.00 H new ATOM 0 HD3 ARG A 315 35.418 -2.771 -3.664 1.00 0.00 H new ATOM 0 HE ARG A 315 35.291 -4.797 -1.556 1.00 0.00 H new ATOM 0 HH11 ARG A 315 36.435 -4.038 -4.815 1.00 0.00 H new ATOM 0 HH12 ARG A 315 37.734 -5.235 -4.759 1.00 0.00 H new ATOM 0 HH21 ARG A 315 36.962 -6.328 -1.500 1.00 0.00 H new ATOM 0 HH22 ARG A 315 38.030 -6.523 -2.893 1.00 0.00 H new ATOM 77 N ILE A 316 34.530 -1.397 2.453 1.00 0.00 N ATOM 78 CA ILE A 316 35.334 -1.383 3.668 1.00 0.00 C ATOM 79 C ILE A 316 35.145 -2.661 4.479 1.00 0.00 C ATOM 80 O ILE A 316 34.021 -3.118 4.685 1.00 0.00 O ATOM 81 CB ILE A 316 34.987 -0.170 4.553 1.00 0.00 C ATOM 82 CG1 ILE A 316 33.481 0.094 4.538 1.00 0.00 C ATOM 83 CG2 ILE A 316 35.746 1.062 4.081 1.00 0.00 C ATOM 84 CD1 ILE A 316 33.055 1.155 5.524 1.00 0.00 C ATOM 0 H ILE A 316 33.524 -1.439 2.615 1.00 0.00 H new ATOM 0 HA ILE A 316 36.375 -1.313 3.354 1.00 0.00 H new ATOM 0 HB ILE A 316 35.286 -0.393 5.577 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.182 0.398 3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 316 32.954 -0.833 4.761 1.00 0.00 H new ATOM 0 HG21 ILE A 316 35.491 1.911 4.715 1.00 0.00 H new ATOM 0 HG22 ILE A 316 36.818 0.874 4.140 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.473 1.285 3.049 1.00 0.00 H new ATOM 0 HD11 ILE A 316 31.976 1.295 5.464 1.00 0.00 H new ATOM 0 HD12 ILE A 316 33.325 0.843 6.533 1.00 0.00 H new ATOM 0 HD13 ILE A 316 33.556 2.094 5.288 1.00 0.00 H new ATOM 96 N GLN A 317 36.255 -3.229 4.937 1.00 0.00 N ATOM 97 CA GLN A 317 36.220 -4.454 5.727 1.00 0.00 C ATOM 98 C GLN A 317 37.155 -4.348 6.928 1.00 0.00 C ATOM 99 O GLN A 317 38.108 -3.570 6.917 1.00 0.00 O ATOM 100 CB GLN A 317 36.613 -5.656 4.866 1.00 0.00 C ATOM 101 CG GLN A 317 35.838 -5.750 3.561 1.00 0.00 C ATOM 102 CD GLN A 317 36.727 -5.601 2.341 1.00 0.00 C ATOM 103 OE1 GLN A 317 36.938 -6.555 1.591 1.00 0.00 O ATOM 104 NE2 GLN A 317 37.253 -4.399 2.134 1.00 0.00 N ATOM 0 H GLN A 317 37.192 -2.860 4.774 1.00 0.00 H new ATOM 0 HA GLN A 317 35.202 -4.595 6.089 1.00 0.00 H new ATOM 0 HB2 GLN A 317 37.678 -5.599 4.643 1.00 0.00 H new ATOM 0 HB3 GLN A 317 36.455 -6.570 5.439 1.00 0.00 H new ATOM 0 HG2 GLN A 317 35.325 -6.710 3.516 1.00 0.00 H new ATOM 0 HG3 GLN A 317 35.070 -4.977 3.543 1.00 0.00 H new ATOM 0 HE21 GLN A 317 37.052 -3.636 2.781 1.00 0.00 H new ATOM 0 HE22 GLN A 317 37.858 -4.239 1.328 1.00 0.00 H new ATOM 113 N ARG A 318 36.875 -5.133 7.965 1.00 0.00 N ATOM 114 CA ARG A 318 37.693 -5.122 9.173 1.00 0.00 C ATOM 115 C ARG A 318 38.531 -6.392 9.278 1.00 0.00 C ATOM 116 O ARG A 318 38.181 -7.428 8.712 1.00 0.00 O ATOM 117 CB ARG A 318 36.808 -4.978 10.413 1.00 0.00 C ATOM 118 CG ARG A 318 35.560 -5.845 10.376 1.00 0.00 C ATOM 119 CD ARG A 318 34.397 -5.119 9.717 1.00 0.00 C ATOM 120 NE ARG A 318 33.145 -5.320 10.443 1.00 0.00 N ATOM 121 CZ ARG A 318 32.073 -4.544 10.300 1.00 0.00 C ATOM 122 NH1 ARG A 318 32.096 -3.517 9.459 1.00 0.00 N ATOM 123 NH2 ARG A 318 30.976 -4.795 11.000 1.00 0.00 N ATOM 0 H ARG A 318 36.090 -5.783 7.993 1.00 0.00 H new ATOM 0 HA ARG A 318 38.368 -4.268 9.114 1.00 0.00 H new ATOM 0 HB2 ARG A 318 37.392 -5.234 11.297 1.00 0.00 H new ATOM 0 HB3 ARG A 318 36.512 -3.934 10.518 1.00 0.00 H new ATOM 0 HG2 ARG A 318 35.771 -6.766 9.832 1.00 0.00 H new ATOM 0 HG3 ARG A 318 35.284 -6.131 11.391 1.00 0.00 H new ATOM 0 HD2 ARG A 318 34.618 -4.053 9.664 1.00 0.00 H new ATOM 0 HD3 ARG A 318 34.283 -5.472 8.692 1.00 0.00 H new ATOM 0 HE ARG A 318 33.089 -6.100 11.097 1.00 0.00 H new ATOM 0 HH11 ARG A 318 32.938 -3.319 8.918 1.00 0.00 H new ATOM 0 HH12 ARG A 318 31.272 -2.926 9.353 1.00 0.00 H new ATOM 0 HH21 ARG A 318 30.953 -5.582 11.648 1.00 0.00 H new ATOM 0 HH22 ARG A 318 30.154 -4.201 10.891 1.00 0.00 H new ATOM 137 N GLY A 319 39.640 -6.305 10.007 1.00 0.00 N ATOM 138 CA GLY A 319 40.511 -7.455 10.175 1.00 0.00 C ATOM 139 C GLY A 319 41.970 -7.121 9.924 1.00 0.00 C ATOM 140 O GLY A 319 42.277 -6.136 9.251 1.00 0.00 O ATOM 0 H GLY A 319 39.951 -5.459 10.484 1.00 0.00 H new ATOM 0 HA2 GLY A 319 40.400 -7.846 11.186 1.00 0.00 H new ATOM 0 HA3 GLY A 319 40.200 -8.245 9.492 1.00 0.00 H new ATOM 144 N PRO A 320 42.902 -7.934 10.453 1.00 0.00 N ATOM 145 CA PRO A 320 44.340 -7.709 10.272 1.00 0.00 C ATOM 146 C PRO A 320 44.708 -7.481 8.810 1.00 0.00 C ATOM 147 O PRO A 320 44.455 -8.331 7.957 1.00 0.00 O ATOM 148 CB PRO A 320 44.967 -9.006 10.787 1.00 0.00 C ATOM 149 CG PRO A 320 43.986 -9.532 11.775 1.00 0.00 C ATOM 150 CD PRO A 320 42.627 -9.133 11.266 1.00 0.00 C ATOM 0 HA PRO A 320 44.685 -6.817 10.795 1.00 0.00 H new ATOM 0 HB2 PRO A 320 45.132 -9.716 9.976 1.00 0.00 H new ATOM 0 HB3 PRO A 320 45.936 -8.821 11.251 1.00 0.00 H new ATOM 0 HG2 PRO A 320 44.066 -10.615 11.865 1.00 0.00 H new ATOM 0 HG3 PRO A 320 44.169 -9.116 12.766 1.00 0.00 H new ATOM 0 HD2 PRO A 320 42.173 -9.925 10.671 1.00 0.00 H new ATOM 0 HD3 PRO A 320 41.940 -8.915 12.084 1.00 0.00 H new ATOM 158 N GLY A 321 45.300 -6.326 8.527 1.00 0.00 N ATOM 159 CA GLY A 321 45.684 -6.007 7.166 1.00 0.00 C ATOM 160 C GLY A 321 44.502 -5.574 6.322 1.00 0.00 C ATOM 161 O GLY A 321 44.470 -5.814 5.115 1.00 0.00 O ATOM 0 H GLY A 321 45.520 -5.606 9.215 1.00 0.00 H new ATOM 0 HA2 GLY A 321 46.430 -5.212 7.178 1.00 0.00 H new ATOM 0 HA3 GLY A 321 46.154 -6.878 6.710 1.00 0.00 H new ATOM 165 N ARG A 322 43.527 -4.938 6.962 1.00 0.00 N ATOM 166 CA ARG A 322 42.332 -4.471 6.267 1.00 0.00 C ATOM 167 C ARG A 322 42.524 -3.054 5.739 1.00 0.00 C ATOM 168 O ARG A 322 43.197 -2.233 6.363 1.00 0.00 O ATOM 169 CB ARG A 322 41.123 -4.518 7.204 1.00 0.00 C ATOM 170 CG ARG A 322 41.270 -3.635 8.434 1.00 0.00 C ATOM 171 CD ARG A 322 40.628 -2.273 8.225 1.00 0.00 C ATOM 172 NE ARG A 322 40.888 -1.366 9.341 1.00 0.00 N ATOM 173 CZ ARG A 322 42.081 -0.835 9.602 1.00 0.00 C ATOM 174 NH1 ARG A 322 43.124 -1.117 8.832 1.00 0.00 N ATOM 175 NH2 ARG A 322 42.229 -0.019 10.637 1.00 0.00 N ATOM 0 H ARG A 322 43.540 -4.734 7.961 1.00 0.00 H new ATOM 0 HA ARG A 322 42.155 -5.132 5.419 1.00 0.00 H new ATOM 0 HB2 ARG A 322 40.234 -4.212 6.652 1.00 0.00 H new ATOM 0 HB3 ARG A 322 40.961 -5.548 7.524 1.00 0.00 H new ATOM 0 HG2 ARG A 322 40.811 -4.126 9.292 1.00 0.00 H new ATOM 0 HG3 ARG A 322 42.327 -3.508 8.667 1.00 0.00 H new ATOM 0 HD2 ARG A 322 41.007 -1.831 7.303 1.00 0.00 H new ATOM 0 HD3 ARG A 322 39.552 -2.395 8.101 1.00 0.00 H new ATOM 0 HE ARG A 322 40.110 -1.126 9.956 1.00 0.00 H new ATOM 0 HH11 ARG A 322 43.015 -1.744 8.035 1.00 0.00 H new ATOM 0 HH12 ARG A 322 44.035 -0.707 9.037 1.00 0.00 H new ATOM 0 HH21 ARG A 322 41.430 0.201 11.231 1.00 0.00 H new ATOM 0 HH22 ARG A 322 43.142 0.389 10.839 1.00 0.00 H new ATOM 189 N ALA A 323 41.926 -2.773 4.586 1.00 0.00 N ATOM 190 CA ALA A 323 42.027 -1.457 3.971 1.00 0.00 C ATOM 191 C ALA A 323 40.648 -0.922 3.599 1.00 0.00 C ATOM 192 O ALA A 323 39.715 -1.690 3.369 1.00 0.00 O ATOM 193 CB ALA A 323 42.921 -1.515 2.741 1.00 0.00 C ATOM 0 H ALA A 323 41.365 -3.442 4.058 1.00 0.00 H new ATOM 0 HA ALA A 323 42.472 -0.776 4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 323 42.987 -0.524 2.292 1.00 0.00 H new ATOM 0 HB2 ALA A 323 43.917 -1.849 3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.500 -2.214 2.018 1.00 0.00 H new ATOM 199 N PHE A 324 40.526 0.401 3.544 1.00 0.00 N ATOM 200 CA PHE A 324 39.259 1.036 3.202 1.00 0.00 C ATOM 201 C PHE A 324 39.204 1.382 1.717 1.00 0.00 C ATOM 202 O PHE A 324 40.135 1.975 1.173 1.00 0.00 O ATOM 203 CB PHE A 324 39.054 2.300 4.038 1.00 0.00 C ATOM 204 CG PHE A 324 39.135 2.059 5.519 1.00 0.00 C ATOM 205 CD1 PHE A 324 38.462 0.996 6.098 1.00 0.00 C ATOM 206 CD2 PHE A 324 39.883 2.897 6.330 1.00 0.00 C ATOM 207 CE1 PHE A 324 38.534 0.772 7.461 1.00 0.00 C ATOM 208 CE2 PHE A 324 39.959 2.679 7.692 1.00 0.00 C ATOM 209 CZ PHE A 324 39.284 1.615 8.259 1.00 0.00 C ATOM 0 H PHE A 324 41.288 1.053 3.732 1.00 0.00 H new ATOM 0 HA PHE A 324 38.459 0.329 3.422 1.00 0.00 H new ATOM 0 HB2 PHE A 324 39.805 3.038 3.756 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.081 2.729 3.800 1.00 0.00 H new ATOM 0 HD1 PHE A 324 37.874 0.335 5.478 1.00 0.00 H new ATOM 0 HD2 PHE A 324 40.413 3.730 5.892 1.00 0.00 H new ATOM 0 HE1 PHE A 324 38.005 -0.060 7.901 1.00 0.00 H new ATOM 0 HE2 PHE A 324 40.546 3.340 8.313 1.00 0.00 H new ATOM 0 HZ PHE A 324 39.342 1.442 9.324 1.00 0.00 H new ATOM 219 N VAL A 325 38.106 1.007 1.069 1.00 0.00 N ATOM 220 CA VAL A 325 37.927 1.278 -0.351 1.00 0.00 C ATOM 221 C VAL A 325 36.646 2.067 -0.600 1.00 0.00 C ATOM 222 O VAL A 325 35.685 1.965 0.164 1.00 0.00 O ATOM 223 CB VAL A 325 37.882 -0.025 -1.172 1.00 0.00 C ATOM 224 CG1 VAL A 325 37.895 0.280 -2.662 1.00 0.00 C ATOM 225 CG2 VAL A 325 39.044 -0.931 -0.796 1.00 0.00 C ATOM 0 H VAL A 325 37.327 0.514 1.506 1.00 0.00 H new ATOM 0 HA VAL A 325 38.785 1.869 -0.671 1.00 0.00 H new ATOM 0 HB VAL A 325 36.953 -0.547 -0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 325 37.863 -0.653 -3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 325 37.027 0.888 -2.917 1.00 0.00 H new ATOM 0 HG13 VAL A 325 38.805 0.824 -2.914 1.00 0.00 H new ATOM 0 HG21 VAL A 325 38.997 -1.847 -1.385 1.00 0.00 H new ATOM 0 HG22 VAL A 325 39.985 -0.418 -0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 325 38.984 -1.178 0.264 1.00 0.00 H new ATOM 235 N THR A 326 36.638 2.852 -1.671 1.00 0.00 N ATOM 236 CA THR A 326 35.475 3.657 -2.019 1.00 0.00 C ATOM 237 C THR A 326 35.369 3.835 -3.531 1.00 0.00 C ATOM 238 O THR A 326 36.340 4.203 -4.191 1.00 0.00 O ATOM 239 CB THR A 326 35.548 5.022 -1.335 1.00 0.00 C ATOM 240 OG1 THR A 326 36.530 5.838 -1.948 1.00 0.00 O ATOM 241 CG2 THR A 326 35.878 4.937 0.139 1.00 0.00 C ATOM 0 H THR A 326 37.425 2.948 -2.313 1.00 0.00 H new ATOM 0 HA THR A 326 34.585 3.133 -1.670 1.00 0.00 H new ATOM 0 HB THR A 326 34.552 5.452 -1.443 1.00 0.00 H new ATOM 0 HG1 THR A 326 36.753 5.474 -2.830 1.00 0.00 H new ATOM 0 HG21 THR A 326 35.914 5.941 0.562 1.00 0.00 H new ATOM 0 HG22 THR A 326 35.111 4.355 0.650 1.00 0.00 H new ATOM 0 HG23 THR A 326 36.847 4.454 0.268 1.00 0.00 H new ATOM 249 N ILE A 327 34.183 3.571 -4.070 1.00 0.00 N ATOM 250 CA ILE A 327 33.950 3.701 -5.502 1.00 0.00 C ATOM 251 C ILE A 327 32.723 4.561 -5.784 1.00 0.00 C ATOM 252 O ILE A 327 31.738 4.516 -5.047 1.00 0.00 O ATOM 253 CB ILE A 327 33.761 2.325 -6.167 1.00 0.00 C ATOM 254 CG1 ILE A 327 34.873 1.368 -5.737 1.00 0.00 C ATOM 255 CG2 ILE A 327 33.734 2.467 -7.682 1.00 0.00 C ATOM 256 CD1 ILE A 327 34.626 -0.068 -6.142 1.00 0.00 C ATOM 0 H ILE A 327 33.369 3.266 -3.536 1.00 0.00 H new ATOM 0 HA ILE A 327 34.833 4.182 -5.923 1.00 0.00 H new ATOM 0 HB ILE A 327 32.806 1.911 -5.843 1.00 0.00 H new ATOM 0 HG12 ILE A 327 35.816 1.702 -6.170 1.00 0.00 H new ATOM 0 HG13 ILE A 327 34.985 1.417 -4.654 1.00 0.00 H new ATOM 0 HG21 ILE A 327 33.600 1.486 -8.137 1.00 0.00 H new ATOM 0 HG22 ILE A 327 32.909 3.117 -7.972 1.00 0.00 H new ATOM 0 HG23 ILE A 327 34.674 2.900 -8.024 1.00 0.00 H new ATOM 0 HD11 ILE A 327 35.455 -0.689 -5.804 1.00 0.00 H new ATOM 0 HD12 ILE A 327 33.700 -0.420 -5.687 1.00 0.00 H new ATOM 0 HD13 ILE A 327 34.544 -0.131 -7.227 1.00 0.00 H new ATOM 268 N GLY A 328 32.789 5.345 -6.855 1.00 0.00 N ATOM 269 CA GLY A 328 31.678 6.204 -7.215 1.00 0.00 C ATOM 270 C GLY A 328 32.105 7.372 -8.083 1.00 0.00 C ATOM 271 O GLY A 328 33.298 7.613 -8.266 1.00 0.00 O ATOM 0 H GLY A 328 33.593 5.400 -7.480 1.00 0.00 H new ATOM 0 HA2 GLY A 328 30.926 5.618 -7.744 1.00 0.00 H new ATOM 0 HA3 GLY A 328 31.207 6.583 -6.308 1.00 0.00 H new TER 275 GLY A 328