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= -0.122 X(o=-0.12,f=-0.00061) USER MOD Single : A 326 THR OG1 : rot 16:sc= 0.297! USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.664 5.238 -5.293 1.00 0.00 N ATOM 2 CA LYS A 312 27.420 5.102 -4.053 1.00 0.00 C ATOM 3 C LYS A 312 27.660 3.633 -3.719 1.00 0.00 C ATOM 4 O LYS A 312 26.719 2.885 -3.453 1.00 0.00 O ATOM 5 CB LYS A 312 26.678 5.784 -2.902 1.00 0.00 C ATOM 6 CG LYS A 312 26.742 7.302 -2.951 1.00 0.00 C ATOM 7 CD LYS A 312 27.831 7.846 -2.041 1.00 0.00 C ATOM 8 CE LYS A 312 27.436 7.743 -0.576 1.00 0.00 C ATOM 9 NZ LYS A 312 28.582 8.028 0.330 1.00 0.00 N ATOM 0 HA LYS A 312 28.387 5.586 -4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.634 5.472 -2.919 1.00 0.00 H new ATOM 0 HB3 LYS A 312 27.098 5.441 -1.956 1.00 0.00 H new ATOM 0 HG2 LYS A 312 26.927 7.626 -3.975 1.00 0.00 H new ATOM 0 HG3 LYS A 312 25.779 7.717 -2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 312 28.756 7.295 -2.209 1.00 0.00 H new ATOM 0 HD3 LYS A 312 28.030 8.888 -2.293 1.00 0.00 H new ATOM 0 HE2 LYS A 312 26.627 8.443 -0.368 1.00 0.00 H new ATOM 0 HE3 LYS A 312 27.053 6.743 -0.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 28.271 7.947 1.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 29.345 7.345 0.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 28.932 8.992 0.155 1.00 0.00 H new ATOM 23 N SER A 313 28.926 3.227 -3.737 1.00 0.00 N ATOM 24 CA SER A 313 29.293 1.848 -3.435 1.00 0.00 C ATOM 25 C SER A 313 30.682 1.780 -2.811 1.00 0.00 C ATOM 26 O SER A 313 31.688 1.982 -3.491 1.00 0.00 O ATOM 27 CB SER A 313 29.249 0.997 -4.706 1.00 0.00 C ATOM 28 OG SER A 313 29.619 -0.344 -4.435 1.00 0.00 O ATOM 0 H SER A 313 29.715 3.834 -3.958 1.00 0.00 H new ATOM 0 HA SER A 313 28.573 1.454 -2.718 1.00 0.00 H new ATOM 0 HB2 SER A 313 28.245 1.022 -5.130 1.00 0.00 H new ATOM 0 HB3 SER A 313 29.921 1.419 -5.453 1.00 0.00 H new ATOM 0 HG SER A 313 29.581 -0.867 -5.263 1.00 0.00 H new ATOM 34 N ILE A 314 30.732 1.498 -1.514 1.00 0.00 N ATOM 35 CA ILE A 314 32.001 1.408 -0.801 1.00 0.00 C ATOM 36 C ILE A 314 32.378 -0.038 -0.515 1.00 0.00 C ATOM 37 O ILE A 314 31.526 -0.927 -0.511 1.00 0.00 O ATOM 38 CB ILE A 314 31.966 2.163 0.542 1.00 0.00 C ATOM 39 CG1 ILE A 314 31.147 3.449 0.429 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.380 2.473 1.012 1.00 0.00 C ATOM 41 CD1 ILE A 314 31.612 4.368 -0.682 1.00 0.00 C ATOM 0 H ILE A 314 29.910 1.328 -0.935 1.00 0.00 H new ATOM 0 HA ILE A 314 32.742 1.866 -1.456 1.00 0.00 H new ATOM 0 HB ILE A 314 31.484 1.520 1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 314 30.101 3.191 0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 314 31.195 3.985 1.377 1.00 0.00 H new ATOM 0 HG21 ILE A 314 33.339 3.006 1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 314 33.932 1.542 1.142 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.883 3.093 0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.985 5.260 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 314 32.648 4.657 -0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 314 31.537 3.850 -1.638 1.00 0.00 H new ATOM 53 N ARG A 315 33.658 -0.258 -0.254 1.00 0.00 N ATOM 54 CA ARG A 315 34.161 -1.586 0.061 1.00 0.00 C ATOM 55 C ARG A 315 35.226 -1.494 1.146 1.00 0.00 C ATOM 56 O ARG A 315 36.424 -1.527 0.862 1.00 0.00 O ATOM 57 CB ARG A 315 34.733 -2.256 -1.190 1.00 0.00 C ATOM 58 CG ARG A 315 33.883 -3.404 -1.710 1.00 0.00 C ATOM 59 CD ARG A 315 34.394 -4.746 -1.213 1.00 0.00 C ATOM 60 NE ARG A 315 33.789 -5.124 0.062 1.00 0.00 N ATOM 61 CZ ARG A 315 32.542 -5.572 0.188 1.00 0.00 C ATOM 62 NH1 ARG A 315 31.764 -5.695 -0.881 1.00 0.00 N ATOM 63 NH2 ARG A 315 32.071 -5.895 1.383 1.00 0.00 N ATOM 0 H ARG A 315 34.371 0.471 -0.254 1.00 0.00 H new ATOM 0 HA ARG A 315 33.334 -2.195 0.427 1.00 0.00 H new ATOM 0 HB2 ARG A 315 34.838 -1.508 -1.976 1.00 0.00 H new ATOM 0 HB3 ARG A 315 35.733 -2.628 -0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 315 32.850 -3.266 -1.391 1.00 0.00 H new ATOM 0 HG3 ARG A 315 33.884 -3.394 -2.800 1.00 0.00 H new ATOM 0 HD2 ARG A 315 34.181 -5.513 -1.957 1.00 0.00 H new ATOM 0 HD3 ARG A 315 35.477 -4.703 -1.101 1.00 0.00 H new ATOM 0 HE ARG A 315 34.356 -5.040 0.906 1.00 0.00 H new ATOM 0 HH11 ARG A 315 32.121 -5.446 -1.803 1.00 0.00 H new ATOM 0 HH12 ARG A 315 30.809 -6.039 -0.780 1.00 0.00 H new ATOM 0 HH21 ARG A 315 32.664 -5.800 2.208 1.00 0.00 H new ATOM 0 HH22 ARG A 315 31.115 -6.238 1.479 1.00 0.00 H new ATOM 77 N ILE A 316 34.778 -1.363 2.389 1.00 0.00 N ATOM 78 CA ILE A 316 35.685 -1.249 3.522 1.00 0.00 C ATOM 79 C ILE A 316 35.477 -2.383 4.519 1.00 0.00 C ATOM 80 O ILE A 316 34.362 -2.618 4.985 1.00 0.00 O ATOM 81 CB ILE A 316 35.505 0.098 4.245 1.00 0.00 C ATOM 82 CG1 ILE A 316 34.023 0.461 4.339 1.00 0.00 C ATOM 83 CG2 ILE A 316 36.276 1.194 3.524 1.00 0.00 C ATOM 84 CD1 ILE A 316 33.761 1.667 5.209 1.00 0.00 C ATOM 0 H ILE A 316 33.789 -1.333 2.637 1.00 0.00 H new ATOM 0 HA ILE A 316 36.697 -1.310 3.123 1.00 0.00 H new ATOM 0 HB ILE A 316 35.901 0.003 5.256 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.638 0.653 3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 316 33.471 -0.391 4.735 1.00 0.00 H new ATOM 0 HG21 ILE A 316 36.139 2.140 4.047 1.00 0.00 H new ATOM 0 HG22 ILE A 316 37.336 0.941 3.504 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.906 1.287 2.503 1.00 0.00 H new ATOM 0 HD11 ILE A 316 32.691 1.872 5.234 1.00 0.00 H new ATOM 0 HD12 ILE A 316 34.117 1.470 6.220 1.00 0.00 H new ATOM 0 HD13 ILE A 316 34.286 2.531 4.801 1.00 0.00 H new ATOM 96 N GLN A 317 36.559 -3.083 4.844 1.00 0.00 N ATOM 97 CA GLN A 317 36.499 -4.193 5.787 1.00 0.00 C ATOM 98 C GLN A 317 37.468 -3.975 6.944 1.00 0.00 C ATOM 99 O GLN A 317 38.480 -3.289 6.797 1.00 0.00 O ATOM 100 CB GLN A 317 36.821 -5.511 5.076 1.00 0.00 C ATOM 101 CG GLN A 317 36.061 -5.700 3.774 1.00 0.00 C ATOM 102 CD GLN A 317 36.955 -6.152 2.636 1.00 0.00 C ATOM 103 OE1 GLN A 317 36.706 -7.180 2.006 1.00 0.00 O ATOM 104 NE2 GLN A 317 38.005 -5.385 2.367 1.00 0.00 N ATOM 0 H GLN A 317 37.489 -2.900 4.467 1.00 0.00 H new ATOM 0 HA GLN A 317 35.487 -4.243 6.189 1.00 0.00 H new ATOM 0 HB2 GLN A 317 37.891 -5.552 4.872 1.00 0.00 H new ATOM 0 HB3 GLN A 317 36.592 -6.341 5.745 1.00 0.00 H new ATOM 0 HG2 GLN A 317 35.270 -6.435 3.923 1.00 0.00 H new ATOM 0 HG3 GLN A 317 35.578 -4.762 3.501 1.00 0.00 H new ATOM 0 HE21 GLN A 317 38.174 -4.541 2.915 1.00 0.00 H new ATOM 0 HE22 GLN A 317 38.643 -5.640 1.613 1.00 0.00 H new ATOM 113 N ARG A 318 37.153 -4.561 8.094 1.00 0.00 N ATOM 114 CA ARG A 318 37.998 -4.426 9.276 1.00 0.00 C ATOM 115 C ARG A 318 38.987 -5.584 9.375 1.00 0.00 C ATOM 116 O ARG A 318 38.714 -6.689 8.908 1.00 0.00 O ATOM 117 CB ARG A 318 37.138 -4.363 10.539 1.00 0.00 C ATOM 118 CG ARG A 318 36.345 -5.634 10.801 1.00 0.00 C ATOM 119 CD ARG A 318 35.340 -5.441 11.925 1.00 0.00 C ATOM 120 NE ARG A 318 34.191 -4.645 11.502 1.00 0.00 N ATOM 121 CZ ARG A 318 33.067 -4.531 12.206 1.00 0.00 C ATOM 122 NH1 ARG A 318 32.938 -5.160 13.368 1.00 0.00 N ATOM 123 NH2 ARG A 318 32.071 -3.786 11.749 1.00 0.00 N ATOM 0 H ARG A 318 36.320 -5.133 8.233 1.00 0.00 H new ATOM 0 HA ARG A 318 38.563 -3.498 9.184 1.00 0.00 H new ATOM 0 HB2 ARG A 318 37.781 -4.163 11.396 1.00 0.00 H new ATOM 0 HB3 ARG A 318 36.447 -3.524 10.456 1.00 0.00 H new ATOM 0 HG2 ARG A 318 35.823 -5.932 9.892 1.00 0.00 H new ATOM 0 HG3 ARG A 318 37.028 -6.444 11.057 1.00 0.00 H new ATOM 0 HD2 ARG A 318 34.997 -6.414 12.276 1.00 0.00 H new ATOM 0 HD3 ARG A 318 35.829 -4.953 12.768 1.00 0.00 H new ATOM 0 HE ARG A 318 34.253 -4.147 10.614 1.00 0.00 H new ATOM 0 HH11 ARG A 318 33.702 -5.734 13.725 1.00 0.00 H new ATOM 0 HH12 ARG A 318 32.075 -5.070 13.904 1.00 0.00 H new ATOM 0 HH21 ARG A 318 32.165 -3.300 10.857 1.00 0.00 H new ATOM 0 HH22 ARG A 318 31.210 -3.699 12.289 1.00 0.00 H new ATOM 137 N GLY A 319 40.137 -5.319 9.987 1.00 0.00 N ATOM 138 CA GLY A 319 41.151 -6.346 10.137 1.00 0.00 C ATOM 139 C GLY A 319 42.552 -5.769 10.215 1.00 0.00 C ATOM 140 O GLY A 319 42.791 -4.652 9.756 1.00 0.00 O ATOM 0 H GLY A 319 40.384 -4.412 10.382 1.00 0.00 H new ATOM 0 HA2 GLY A 319 40.948 -6.924 11.039 1.00 0.00 H new ATOM 0 HA3 GLY A 319 41.092 -7.037 9.296 1.00 0.00 H new ATOM 144 N PRO A 320 43.510 -6.514 10.794 1.00 0.00 N ATOM 145 CA PRO A 320 44.898 -6.057 10.922 1.00 0.00 C ATOM 146 C PRO A 320 45.545 -5.789 9.567 1.00 0.00 C ATOM 147 O PRO A 320 46.479 -4.994 9.462 1.00 0.00 O ATOM 148 CB PRO A 320 45.603 -7.217 11.634 1.00 0.00 C ATOM 149 CG PRO A 320 44.716 -8.398 11.430 1.00 0.00 C ATOM 150 CD PRO A 320 43.318 -7.857 11.366 1.00 0.00 C ATOM 0 HA PRO A 320 44.964 -5.113 11.463 1.00 0.00 H new ATOM 0 HB2 PRO A 320 46.594 -7.392 11.215 1.00 0.00 H new ATOM 0 HB3 PRO A 320 45.738 -7.004 12.695 1.00 0.00 H new ATOM 0 HG2 PRO A 320 44.973 -8.925 10.511 1.00 0.00 H new ATOM 0 HG3 PRO A 320 44.822 -9.111 12.247 1.00 0.00 H new ATOM 0 HD2 PRO A 320 42.674 -8.475 10.740 1.00 0.00 H new ATOM 0 HD3 PRO A 320 42.856 -7.814 12.352 1.00 0.00 H new ATOM 158 N GLY A 321 45.045 -6.458 8.534 1.00 0.00 N ATOM 159 CA GLY A 321 45.588 -6.276 7.200 1.00 0.00 C ATOM 160 C GLY A 321 44.514 -5.979 6.173 1.00 0.00 C ATOM 161 O GLY A 321 44.671 -6.292 4.993 1.00 0.00 O ATOM 0 H GLY A 321 44.274 -7.123 8.596 1.00 0.00 H new ATOM 0 HA2 GLY A 321 46.310 -5.459 7.213 1.00 0.00 H new ATOM 0 HA3 GLY A 321 46.129 -7.175 6.906 1.00 0.00 H new ATOM 165 N ARG A 322 43.419 -5.372 6.622 1.00 0.00 N ATOM 166 CA ARG A 322 42.315 -5.033 5.732 1.00 0.00 C ATOM 167 C ARG A 322 42.422 -3.586 5.260 1.00 0.00 C ATOM 168 O ARG A 322 42.564 -2.668 6.068 1.00 0.00 O ATOM 169 CB ARG A 322 40.975 -5.256 6.439 1.00 0.00 C ATOM 170 CG ARG A 322 40.290 -6.556 6.046 1.00 0.00 C ATOM 171 CD ARG A 322 41.100 -7.765 6.483 1.00 0.00 C ATOM 172 NE ARG A 322 42.132 -8.114 5.511 1.00 0.00 N ATOM 173 CZ ARG A 322 43.085 -9.017 5.733 1.00 0.00 C ATOM 174 NH1 ARG A 322 43.140 -9.662 6.891 1.00 0.00 N ATOM 175 NH2 ARG A 322 43.987 -9.275 4.794 1.00 0.00 N ATOM 0 H ARG A 322 43.273 -5.105 7.596 1.00 0.00 H new ATOM 0 HA ARG A 322 42.370 -5.685 4.860 1.00 0.00 H new ATOM 0 HB2 ARG A 322 41.137 -5.251 7.517 1.00 0.00 H new ATOM 0 HB3 ARG A 322 40.311 -4.422 6.213 1.00 0.00 H new ATOM 0 HG2 ARG A 322 39.299 -6.598 6.498 1.00 0.00 H new ATOM 0 HG3 ARG A 322 40.149 -6.582 4.965 1.00 0.00 H new ATOM 0 HD2 ARG A 322 41.565 -7.560 7.447 1.00 0.00 H new ATOM 0 HD3 ARG A 322 40.433 -8.616 6.625 1.00 0.00 H new ATOM 0 HE ARG A 322 42.122 -7.638 4.609 1.00 0.00 H new ATOM 0 HH11 ARG A 322 42.450 -9.467 7.617 1.00 0.00 H new ATOM 0 HH12 ARG A 322 43.872 -10.353 7.056 1.00 0.00 H new ATOM 0 HH21 ARG A 322 43.950 -8.781 3.902 1.00 0.00 H new ATOM 0 HH22 ARG A 322 44.717 -9.967 4.964 1.00 0.00 H new ATOM 189 N ALA A 323 42.352 -3.390 3.947 1.00 0.00 N ATOM 190 CA ALA A 323 42.440 -2.055 3.367 1.00 0.00 C ATOM 191 C ALA A 323 41.059 -1.426 3.224 1.00 0.00 C ATOM 192 O ALA A 323 40.040 -2.094 3.404 1.00 0.00 O ATOM 193 CB ALA A 323 43.139 -2.113 2.017 1.00 0.00 C ATOM 0 H ALA A 323 42.235 -4.139 3.265 1.00 0.00 H new ATOM 0 HA ALA A 323 43.026 -1.430 4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.198 -1.110 1.595 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.145 -2.513 2.145 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.575 -2.758 1.343 1.00 0.00 H new ATOM 199 N PHE A 324 41.031 -0.138 2.901 1.00 0.00 N ATOM 200 CA PHE A 324 39.772 0.582 2.735 1.00 0.00 C ATOM 201 C PHE A 324 39.602 1.057 1.296 1.00 0.00 C ATOM 202 O PHE A 324 40.467 1.742 0.749 1.00 0.00 O ATOM 203 CB PHE A 324 39.714 1.776 3.689 1.00 0.00 C ATOM 204 CG PHE A 324 39.941 1.407 5.127 1.00 0.00 C ATOM 205 CD1 PHE A 324 39.305 0.309 5.682 1.00 0.00 C ATOM 206 CD2 PHE A 324 40.791 2.159 5.923 1.00 0.00 C ATOM 207 CE1 PHE A 324 39.512 -0.033 7.006 1.00 0.00 C ATOM 208 CE2 PHE A 324 41.001 1.822 7.247 1.00 0.00 C ATOM 209 CZ PHE A 324 40.361 0.724 7.788 1.00 0.00 C ATOM 0 H PHE A 324 41.865 0.430 2.749 1.00 0.00 H new ATOM 0 HA PHE A 324 38.957 -0.103 2.971 1.00 0.00 H new ATOM 0 HB2 PHE A 324 40.463 2.508 3.388 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.741 2.258 3.595 1.00 0.00 H new ATOM 0 HD1 PHE A 324 38.640 -0.287 5.074 1.00 0.00 H new ATOM 0 HD2 PHE A 324 41.295 3.018 5.504 1.00 0.00 H new ATOM 0 HE1 PHE A 324 39.010 -0.891 7.428 1.00 0.00 H new ATOM 0 HE2 PHE A 324 41.665 2.416 7.858 1.00 0.00 H new ATOM 0 HZ PHE A 324 40.525 0.458 8.822 1.00 0.00 H new ATOM 219 N VAL A 325 38.479 0.689 0.686 1.00 0.00 N ATOM 220 CA VAL A 325 38.193 1.076 -0.690 1.00 0.00 C ATOM 221 C VAL A 325 36.888 1.861 -0.778 1.00 0.00 C ATOM 222 O VAL A 325 35.995 1.694 0.053 1.00 0.00 O ATOM 223 CB VAL A 325 38.101 -0.153 -1.613 1.00 0.00 C ATOM 224 CG1 VAL A 325 38.000 0.277 -3.068 1.00 0.00 C ATOM 225 CG2 VAL A 325 39.297 -1.069 -1.401 1.00 0.00 C ATOM 0 H VAL A 325 37.752 0.123 1.124 1.00 0.00 H new ATOM 0 HA VAL A 325 39.019 1.707 -1.019 1.00 0.00 H new ATOM 0 HB VAL A 325 37.198 -0.708 -1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 325 37.936 -0.605 -3.705 1.00 0.00 H new ATOM 0 HG12 VAL A 325 37.109 0.889 -3.205 1.00 0.00 H new ATOM 0 HG13 VAL A 325 38.883 0.856 -3.338 1.00 0.00 H new ATOM 0 HG21 VAL A 325 39.216 -1.932 -2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 325 40.215 -0.526 -1.625 1.00 0.00 H new ATOM 0 HG23 VAL A 325 39.318 -1.406 -0.365 1.00 0.00 H new ATOM 235 N THR A 326 36.783 2.716 -1.790 1.00 0.00 N ATOM 236 CA THR A 326 35.588 3.525 -1.984 1.00 0.00 C ATOM 237 C THR A 326 35.366 3.827 -3.462 1.00 0.00 C ATOM 238 O THR A 326 36.257 4.333 -4.144 1.00 0.00 O ATOM 239 CB THR A 326 35.692 4.830 -1.195 1.00 0.00 C ATOM 240 OG1 THR A 326 36.575 5.734 -1.834 1.00 0.00 O ATOM 241 CG2 THR A 326 36.183 4.635 0.224 1.00 0.00 C ATOM 0 H THR A 326 37.512 2.866 -2.488 1.00 0.00 H new ATOM 0 HA THR A 326 34.735 2.955 -1.617 1.00 0.00 H new ATOM 0 HB THR A 326 34.677 5.227 -1.160 1.00 0.00 H new ATOM 0 HG1 THR A 326 36.733 5.441 -2.756 1.00 0.00 H new ATOM 0 HG21 THR A 326 36.234 5.600 0.727 1.00 0.00 H new ATOM 0 HG22 THR A 326 35.495 3.982 0.760 1.00 0.00 H new ATOM 0 HG23 THR A 326 37.174 4.182 0.207 1.00 0.00 H new ATOM 249 N ILE A 327 34.171 3.514 -3.951 1.00 0.00 N ATOM 250 CA ILE A 327 33.827 3.751 -5.348 1.00 0.00 C ATOM 251 C ILE A 327 32.522 4.533 -5.463 1.00 0.00 C ATOM 252 O ILE A 327 31.610 4.361 -4.653 1.00 0.00 O ATOM 253 CB ILE A 327 33.690 2.430 -6.130 1.00 0.00 C ATOM 254 CG1 ILE A 327 34.921 1.548 -5.907 1.00 0.00 C ATOM 255 CG2 ILE A 327 33.493 2.708 -7.612 1.00 0.00 C ATOM 256 CD1 ILE A 327 34.585 0.088 -5.690 1.00 0.00 C ATOM 0 H ILE A 327 33.423 3.095 -3.399 1.00 0.00 H new ATOM 0 HA ILE A 327 34.641 4.334 -5.779 1.00 0.00 H new ATOM 0 HB ILE A 327 32.813 1.898 -5.761 1.00 0.00 H new ATOM 0 HG12 ILE A 327 35.583 1.636 -6.769 1.00 0.00 H new ATOM 0 HG13 ILE A 327 35.472 1.918 -5.043 1.00 0.00 H new ATOM 0 HG21 ILE A 327 33.398 1.765 -8.150 1.00 0.00 H new ATOM 0 HG22 ILE A 327 32.588 3.299 -7.754 1.00 0.00 H new ATOM 0 HG23 ILE A 327 34.351 3.260 -7.996 1.00 0.00 H new ATOM 0 HD11 ILE A 327 35.504 -0.478 -5.539 1.00 0.00 H new ATOM 0 HD12 ILE A 327 33.948 -0.012 -4.811 1.00 0.00 H new ATOM 0 HD13 ILE A 327 34.061 -0.298 -6.564 1.00 0.00 H new ATOM 268 N GLY A 328 32.437 5.391 -6.474 1.00 0.00 N ATOM 269 CA GLY A 328 31.237 6.184 -6.674 1.00 0.00 C ATOM 270 C GLY A 328 31.445 7.312 -7.666 1.00 0.00 C ATOM 271 O GLY A 328 32.578 7.625 -8.032 1.00 0.00 O ATOM 0 H GLY A 328 33.176 5.552 -7.158 1.00 0.00 H new ATOM 0 HA2 GLY A 328 30.433 5.538 -7.027 1.00 0.00 H new ATOM 0 HA3 GLY A 328 30.916 6.599 -5.719 1.00 0.00 H new