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=-0.00987 USER MOD Single : A 317 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.853 6.209 -4.340 1.00 0.00 N ATOM 2 CA LYS A 312 27.704 5.926 -3.190 1.00 0.00 C ATOM 3 C LYS A 312 28.017 4.437 -3.096 1.00 0.00 C ATOM 4 O LYS A 312 27.124 3.616 -2.883 1.00 0.00 O ATOM 5 CB LYS A 312 27.030 6.401 -1.901 1.00 0.00 C ATOM 6 CG LYS A 312 27.207 7.887 -1.632 1.00 0.00 C ATOM 7 CD LYS A 312 28.411 8.153 -0.745 1.00 0.00 C ATOM 8 CE LYS A 312 28.951 9.560 -0.946 1.00 0.00 C ATOM 9 NZ LYS A 312 28.056 10.589 -0.348 1.00 0.00 N ATOM 0 HA LYS A 312 28.641 6.467 -3.322 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.965 6.174 -1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 312 27.435 5.838 -1.060 1.00 0.00 H new ATOM 0 HG2 LYS A 312 27.326 8.417 -2.577 1.00 0.00 H new ATOM 0 HG3 LYS A 312 26.309 8.281 -1.156 1.00 0.00 H new ATOM 0 HD2 LYS A 312 28.132 8.015 0.300 1.00 0.00 H new ATOM 0 HD3 LYS A 312 29.194 7.427 -0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 312 29.942 9.636 -0.498 1.00 0.00 H new ATOM 0 HE3 LYS A 312 29.067 9.755 -2.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 28.459 11.534 -0.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 27.118 10.534 -0.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 27.965 10.418 0.674 1.00 0.00 H new ATOM 23 N SER A 313 29.292 4.095 -3.254 1.00 0.00 N ATOM 24 CA SER A 313 29.725 2.703 -3.186 1.00 0.00 C ATOM 25 C SER A 313 31.074 2.590 -2.484 1.00 0.00 C ATOM 26 O SER A 313 32.118 2.866 -3.075 1.00 0.00 O ATOM 27 CB SER A 313 29.816 2.106 -4.592 1.00 0.00 C ATOM 28 OG SER A 313 28.964 2.791 -5.493 1.00 0.00 O ATOM 0 H SER A 313 30.043 4.762 -3.430 1.00 0.00 H new ATOM 0 HA SER A 313 28.987 2.145 -2.610 1.00 0.00 H new ATOM 0 HB2 SER A 313 30.845 2.160 -4.947 1.00 0.00 H new ATOM 0 HB3 SER A 313 29.544 1.051 -4.561 1.00 0.00 H new ATOM 0 HG SER A 313 29.042 2.392 -6.385 1.00 0.00 H new ATOM 34 N ILE A 314 31.045 2.184 -1.218 1.00 0.00 N ATOM 35 CA ILE A 314 32.269 2.039 -0.436 1.00 0.00 C ATOM 36 C ILE A 314 32.712 0.584 -0.372 1.00 0.00 C ATOM 37 O ILE A 314 31.919 -0.330 -0.592 1.00 0.00 O ATOM 38 CB ILE A 314 32.096 2.552 1.008 1.00 0.00 C ATOM 39 CG1 ILE A 314 31.122 3.732 1.056 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.444 2.952 1.589 1.00 0.00 C ATOM 41 CD1 ILE A 314 31.603 4.945 0.290 1.00 0.00 C ATOM 0 H ILE A 314 30.190 1.950 -0.713 1.00 0.00 H new ATOM 0 HA ILE A 314 33.025 2.639 -0.943 1.00 0.00 H new ATOM 0 HB ILE A 314 31.679 1.745 1.610 1.00 0.00 H new ATOM 0 HG12 ILE A 314 30.160 3.415 0.652 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.954 4.012 2.096 1.00 0.00 H new ATOM 0 HG21 ILE A 314 33.308 3.312 2.609 1.00 0.00 H new ATOM 0 HG22 ILE A 314 34.108 2.088 1.595 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.882 3.743 0.980 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.863 5.741 0.368 1.00 0.00 H new ATOM 0 HD12 ILE A 314 32.550 5.287 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 314 31.743 4.681 -0.758 1.00 0.00 H new ATOM 53 N ARG A 315 33.984 0.380 -0.054 1.00 0.00 N ATOM 54 CA ARG A 315 34.539 -0.961 0.056 1.00 0.00 C ATOM 55 C ARG A 315 35.437 -1.062 1.282 1.00 0.00 C ATOM 56 O ARG A 315 36.661 -0.978 1.178 1.00 0.00 O ATOM 57 CB ARG A 315 35.333 -1.327 -1.198 1.00 0.00 C ATOM 58 CG ARG A 315 34.730 -0.794 -2.490 1.00 0.00 C ATOM 59 CD ARG A 315 33.534 -1.625 -2.929 1.00 0.00 C ATOM 60 NE ARG A 315 33.927 -2.967 -3.353 1.00 0.00 N ATOM 61 CZ ARG A 315 34.519 -3.233 -4.514 1.00 0.00 C ATOM 62 NH1 ARG A 315 34.791 -2.254 -5.369 1.00 0.00 N ATOM 63 NH2 ARG A 315 34.843 -4.481 -4.822 1.00 0.00 N ATOM 0 H ARG A 315 34.651 1.129 0.132 1.00 0.00 H new ATOM 0 HA ARG A 315 33.711 -1.662 0.160 1.00 0.00 H new ATOM 0 HB2 ARG A 315 36.348 -0.943 -1.098 1.00 0.00 H new ATOM 0 HB3 ARG A 315 35.408 -2.412 -1.265 1.00 0.00 H new ATOM 0 HG2 ARG A 315 34.423 0.242 -2.349 1.00 0.00 H new ATOM 0 HG3 ARG A 315 35.486 -0.799 -3.275 1.00 0.00 H new ATOM 0 HD2 ARG A 315 32.822 -1.698 -2.107 1.00 0.00 H new ATOM 0 HD3 ARG A 315 33.023 -1.121 -3.749 1.00 0.00 H new ATOM 0 HE ARG A 315 33.736 -3.745 -2.722 1.00 0.00 H new ATOM 0 HH11 ARG A 315 34.546 -1.291 -5.137 1.00 0.00 H new ATOM 0 HH12 ARG A 315 35.245 -2.465 -6.258 1.00 0.00 H new ATOM 0 HH21 ARG A 315 34.638 -5.237 -4.169 1.00 0.00 H new ATOM 0 HH22 ARG A 315 35.297 -4.685 -5.712 1.00 0.00 H new ATOM 77 N ILE A 316 34.819 -1.229 2.445 1.00 0.00 N ATOM 78 CA ILE A 316 35.559 -1.326 3.696 1.00 0.00 C ATOM 79 C ILE A 316 35.190 -2.592 4.463 1.00 0.00 C ATOM 80 O ILE A 316 34.013 -2.886 4.667 1.00 0.00 O ATOM 81 CB ILE A 316 35.295 -0.103 4.588 1.00 0.00 C ATOM 82 CG1 ILE A 316 33.799 0.198 4.640 1.00 0.00 C ATOM 83 CG2 ILE A 316 36.061 1.106 4.071 1.00 0.00 C ATOM 84 CD1 ILE A 316 33.428 1.172 5.731 1.00 0.00 C ATOM 0 H ILE A 316 33.807 -1.300 2.547 1.00 0.00 H new ATOM 0 HA ILE A 316 36.617 -1.363 3.438 1.00 0.00 H new ATOM 0 HB ILE A 316 35.642 -0.326 5.597 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.482 0.601 3.678 1.00 0.00 H new ATOM 0 HG13 ILE A 316 33.252 -0.733 4.791 1.00 0.00 H new ATOM 0 HG21 ILE A 316 35.863 1.964 4.714 1.00 0.00 H new ATOM 0 HG22 ILE A 316 37.129 0.889 4.074 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.740 1.333 3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 316 32.352 1.344 5.715 1.00 0.00 H new ATOM 0 HD12 ILE A 316 33.715 0.761 6.699 1.00 0.00 H new ATOM 0 HD13 ILE A 316 33.949 2.116 5.569 1.00 0.00 H new ATOM 96 N GLN A 317 36.207 -3.338 4.883 1.00 0.00 N ATOM 97 CA GLN A 317 35.992 -4.573 5.629 1.00 0.00 C ATOM 98 C GLN A 317 37.144 -4.830 6.596 1.00 0.00 C ATOM 99 O GLN A 317 38.291 -4.481 6.315 1.00 0.00 O ATOM 100 CB GLN A 317 35.843 -5.754 4.668 1.00 0.00 C ATOM 101 CG GLN A 317 37.074 -6.001 3.812 1.00 0.00 C ATOM 102 CD GLN A 317 36.892 -5.535 2.381 1.00 0.00 C ATOM 103 OE1 GLN A 317 36.289 -6.229 1.563 1.00 0.00 O ATOM 104 NE2 GLN A 317 37.416 -4.355 2.072 1.00 0.00 N ATOM 0 H GLN A 317 37.187 -3.109 4.720 1.00 0.00 H new ATOM 0 HA GLN A 317 35.074 -4.466 6.206 1.00 0.00 H new ATOM 0 HB2 GLN A 317 35.624 -6.654 5.243 1.00 0.00 H new ATOM 0 HB3 GLN A 317 34.988 -5.576 4.016 1.00 0.00 H new ATOM 0 HG2 GLN A 317 37.928 -5.486 4.252 1.00 0.00 H new ATOM 0 HG3 GLN A 317 37.308 -7.066 3.817 1.00 0.00 H new ATOM 0 HE21 GLN A 317 37.908 -3.814 2.783 1.00 0.00 H new ATOM 0 HE22 GLN A 317 37.327 -3.990 1.124 1.00 0.00 H new ATOM 113 N ARG A 318 36.831 -5.442 7.733 1.00 0.00 N ATOM 114 CA ARG A 318 37.842 -5.744 8.740 1.00 0.00 C ATOM 115 C ARG A 318 38.345 -7.177 8.597 1.00 0.00 C ATOM 116 O ARG A 318 37.554 -8.115 8.490 1.00 0.00 O ATOM 117 CB ARG A 318 37.273 -5.528 10.144 1.00 0.00 C ATOM 118 CG ARG A 318 36.139 -6.477 10.495 1.00 0.00 C ATOM 119 CD ARG A 318 35.231 -5.889 11.563 1.00 0.00 C ATOM 120 NE ARG A 318 33.906 -6.502 11.554 1.00 0.00 N ATOM 121 CZ ARG A 318 33.633 -7.687 12.094 1.00 0.00 C ATOM 122 NH1 ARG A 318 34.590 -8.390 12.687 1.00 0.00 N ATOM 123 NH2 ARG A 318 32.399 -8.172 12.042 1.00 0.00 N ATOM 0 H ARG A 318 35.887 -5.738 7.980 1.00 0.00 H new ATOM 0 HA ARG A 318 38.683 -5.068 8.587 1.00 0.00 H new ATOM 0 HB2 ARG A 318 38.074 -5.647 10.874 1.00 0.00 H new ATOM 0 HB3 ARG A 318 36.916 -4.502 10.228 1.00 0.00 H new ATOM 0 HG2 ARG A 318 35.556 -6.696 9.600 1.00 0.00 H new ATOM 0 HG3 ARG A 318 36.551 -7.423 10.846 1.00 0.00 H new ATOM 0 HD2 ARG A 318 35.688 -6.027 12.543 1.00 0.00 H new ATOM 0 HD3 ARG A 318 35.134 -4.815 11.405 1.00 0.00 H new ATOM 0 HE ARG A 318 33.144 -5.992 11.107 1.00 0.00 H new ATOM 0 HH11 ARG A 318 35.540 -8.022 12.730 1.00 0.00 H new ATOM 0 HH12 ARG A 318 34.375 -9.298 13.099 1.00 0.00 H new ATOM 0 HH21 ARG A 318 31.659 -7.636 11.588 1.00 0.00 H new ATOM 0 HH22 ARG A 318 32.190 -9.080 12.456 1.00 0.00 H new ATOM 137 N GLY A 319 39.663 -7.338 8.594 1.00 0.00 N ATOM 138 CA GLY A 319 40.250 -8.659 8.463 1.00 0.00 C ATOM 139 C GLY A 319 41.759 -8.611 8.313 1.00 0.00 C ATOM 140 O GLY A 319 42.337 -7.531 8.188 1.00 0.00 O ATOM 0 H GLY A 319 40.337 -6.577 8.680 1.00 0.00 H new ATOM 0 HA2 GLY A 319 39.994 -9.256 9.339 1.00 0.00 H new ATOM 0 HA3 GLY A 319 39.818 -9.161 7.598 1.00 0.00 H new ATOM 144 N PRO A 320 42.431 -9.776 8.322 1.00 0.00 N ATOM 145 CA PRO A 320 43.891 -9.845 8.183 1.00 0.00 C ATOM 146 C PRO A 320 44.361 -9.406 6.801 1.00 0.00 C ATOM 147 O PRO A 320 44.384 -10.200 5.860 1.00 0.00 O ATOM 148 CB PRO A 320 44.203 -11.327 8.408 1.00 0.00 C ATOM 149 CG PRO A 320 42.938 -12.040 8.072 1.00 0.00 C ATOM 150 CD PRO A 320 41.824 -11.110 8.464 1.00 0.00 C ATOM 0 HA PRO A 320 44.398 -9.180 8.882 1.00 0.00 H new ATOM 0 HB2 PRO A 320 45.024 -11.659 7.773 1.00 0.00 H new ATOM 0 HB3 PRO A 320 44.501 -11.516 9.439 1.00 0.00 H new ATOM 0 HG2 PRO A 320 42.893 -12.276 7.009 1.00 0.00 H new ATOM 0 HG3 PRO A 320 42.867 -12.984 8.612 1.00 0.00 H new ATOM 0 HD2 PRO A 320 40.955 -11.228 7.816 1.00 0.00 H new ATOM 0 HD3 PRO A 320 41.488 -11.293 9.485 1.00 0.00 H new ATOM 158 N GLY A 321 44.734 -8.136 6.685 1.00 0.00 N ATOM 159 CA GLY A 321 45.198 -7.611 5.415 1.00 0.00 C ATOM 160 C GLY A 321 44.098 -6.916 4.638 1.00 0.00 C ATOM 161 O GLY A 321 44.129 -6.874 3.408 1.00 0.00 O ATOM 0 H GLY A 321 44.723 -7.460 7.449 1.00 0.00 H new ATOM 0 HA2 GLY A 321 46.013 -6.909 5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 321 45.603 -8.426 4.815 1.00 0.00 H new ATOM 165 N ARG A 322 43.122 -6.370 5.357 1.00 0.00 N ATOM 166 CA ARG A 322 42.007 -5.673 4.729 1.00 0.00 C ATOM 167 C ARG A 322 42.261 -4.170 4.679 1.00 0.00 C ATOM 168 O ARG A 322 42.764 -3.584 5.637 1.00 0.00 O ATOM 169 CB ARG A 322 40.708 -5.958 5.486 1.00 0.00 C ATOM 170 CG ARG A 322 40.300 -7.422 5.466 1.00 0.00 C ATOM 171 CD ARG A 322 40.169 -7.945 4.044 1.00 0.00 C ATOM 172 NE ARG A 322 41.417 -8.527 3.557 1.00 0.00 N ATOM 173 CZ ARG A 322 41.686 -8.733 2.271 1.00 0.00 C ATOM 174 NH1 ARG A 322 40.800 -8.404 1.338 1.00 0.00 N ATOM 175 NH2 ARG A 322 42.846 -9.267 1.914 1.00 0.00 N ATOM 0 H ARG A 322 43.082 -6.397 6.376 1.00 0.00 H new ATOM 0 HA ARG A 322 41.912 -6.040 3.707 1.00 0.00 H new ATOM 0 HB2 ARG A 322 40.822 -5.636 6.521 1.00 0.00 H new ATOM 0 HB3 ARG A 322 39.906 -5.360 5.053 1.00 0.00 H new ATOM 0 HG2 ARG A 322 41.039 -8.014 6.006 1.00 0.00 H new ATOM 0 HG3 ARG A 322 39.351 -7.543 5.988 1.00 0.00 H new ATOM 0 HD2 ARG A 322 39.380 -8.696 4.005 1.00 0.00 H new ATOM 0 HD3 ARG A 322 39.867 -7.131 3.385 1.00 0.00 H new ATOM 0 HE ARG A 322 42.124 -8.791 4.244 1.00 0.00 H new ATOM 0 HH11 ARG A 322 39.907 -7.991 1.606 1.00 0.00 H new ATOM 0 HH12 ARG A 322 41.013 -8.565 0.353 1.00 0.00 H new ATOM 0 HH21 ARG A 322 43.532 -9.520 2.626 1.00 0.00 H new ATOM 0 HH22 ARG A 322 43.053 -9.425 0.928 1.00 0.00 H new ATOM 189 N ALA A 323 41.908 -3.552 3.556 1.00 0.00 N ATOM 190 CA ALA A 323 42.095 -2.117 3.382 1.00 0.00 C ATOM 191 C ALA A 323 40.755 -1.394 3.301 1.00 0.00 C ATOM 192 O ALA A 323 39.750 -1.974 2.890 1.00 0.00 O ATOM 193 CB ALA A 323 42.921 -1.842 2.134 1.00 0.00 C ATOM 0 H ALA A 323 41.491 -4.023 2.753 1.00 0.00 H new ATOM 0 HA ALA A 323 42.631 -1.737 4.252 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.054 -0.767 2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 323 43.896 -2.319 2.231 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.406 -2.243 1.261 1.00 0.00 H new ATOM 199 N PHE A 324 40.747 -0.125 3.695 1.00 0.00 N ATOM 200 CA PHE A 324 39.528 0.675 3.666 1.00 0.00 C ATOM 201 C PHE A 324 39.567 1.684 2.521 1.00 0.00 C ATOM 202 O PHE A 324 40.354 2.630 2.541 1.00 0.00 O ATOM 203 CB PHE A 324 39.339 1.407 4.998 1.00 0.00 C ATOM 204 CG PHE A 324 38.786 0.538 6.092 1.00 0.00 C ATOM 205 CD1 PHE A 324 39.291 -0.733 6.312 1.00 0.00 C ATOM 206 CD2 PHE A 324 37.758 0.996 6.902 1.00 0.00 C ATOM 207 CE1 PHE A 324 38.783 -1.532 7.319 1.00 0.00 C ATOM 208 CE2 PHE A 324 37.247 0.201 7.910 1.00 0.00 C ATOM 209 CZ PHE A 324 37.759 -1.064 8.119 1.00 0.00 C ATOM 0 H PHE A 324 41.570 0.371 4.038 1.00 0.00 H new ATOM 0 HA PHE A 324 38.686 0.001 3.507 1.00 0.00 H new ATOM 0 HB2 PHE A 324 40.298 1.813 5.319 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.670 2.254 4.845 1.00 0.00 H new ATOM 0 HD1 PHE A 324 40.091 -1.104 5.689 1.00 0.00 H new ATOM 0 HD2 PHE A 324 37.353 1.984 6.743 1.00 0.00 H new ATOM 0 HE1 PHE A 324 39.186 -2.521 7.480 1.00 0.00 H new ATOM 0 HE2 PHE A 324 36.447 0.569 8.535 1.00 0.00 H new ATOM 0 HZ PHE A 324 37.360 -1.686 8.906 1.00 0.00 H new ATOM 219 N VAL A 325 38.713 1.475 1.524 1.00 0.00 N ATOM 220 CA VAL A 325 38.651 2.366 0.372 1.00 0.00 C ATOM 221 C VAL A 325 37.220 2.823 0.106 1.00 0.00 C ATOM 222 O VAL A 325 36.262 2.181 0.540 1.00 0.00 O ATOM 223 CB VAL A 325 39.210 1.685 -0.895 1.00 0.00 C ATOM 224 CG1 VAL A 325 38.381 0.463 -1.259 1.00 0.00 C ATOM 225 CG2 VAL A 325 39.261 2.669 -2.054 1.00 0.00 C ATOM 0 H VAL A 325 38.055 0.697 1.491 1.00 0.00 H new ATOM 0 HA VAL A 325 39.266 3.234 0.608 1.00 0.00 H new ATOM 0 HB VAL A 325 40.227 1.354 -0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 325 38.792 -0.002 -2.155 1.00 0.00 H new ATOM 0 HG12 VAL A 325 38.405 -0.251 -0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 325 37.351 0.765 -1.447 1.00 0.00 H new ATOM 0 HG21 VAL A 325 39.658 2.170 -2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 325 38.256 3.035 -2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 325 39.905 3.508 -1.791 1.00 0.00 H new ATOM 235 N THR A 326 37.081 3.934 -0.609 1.00 0.00 N ATOM 236 CA THR A 326 35.771 4.476 -0.933 1.00 0.00 C ATOM 237 C THR A 326 35.719 4.944 -2.384 1.00 0.00 C ATOM 238 O THR A 326 36.665 5.550 -2.886 1.00 0.00 O ATOM 239 CB THR A 326 35.426 5.636 0.003 1.00 0.00 C ATOM 240 OG1 THR A 326 36.203 6.778 -0.308 1.00 0.00 O ATOM 241 CG2 THR A 326 35.649 5.311 1.464 1.00 0.00 C ATOM 0 H THR A 326 37.863 4.477 -0.975 1.00 0.00 H new ATOM 0 HA THR A 326 35.036 3.682 -0.799 1.00 0.00 H new ATOM 0 HB THR A 326 34.364 5.828 -0.151 1.00 0.00 H new ATOM 0 HG1 THR A 326 35.967 7.510 0.300 1.00 0.00 H new ATOM 0 HG21 THR A 326 35.385 6.175 2.073 1.00 0.00 H new ATOM 0 HG22 THR A 326 35.025 4.463 1.748 1.00 0.00 H new ATOM 0 HG23 THR A 326 36.697 5.060 1.625 1.00 0.00 H new ATOM 249 N ILE A 327 34.606 4.657 -3.053 1.00 0.00 N ATOM 250 CA ILE A 327 34.431 5.049 -4.446 1.00 0.00 C ATOM 251 C ILE A 327 33.075 5.713 -4.664 1.00 0.00 C ATOM 252 O ILE A 327 32.106 5.415 -3.966 1.00 0.00 O ATOM 253 CB ILE A 327 34.552 3.837 -5.390 1.00 0.00 C ATOM 254 CG1 ILE A 327 35.806 3.026 -5.055 1.00 0.00 C ATOM 255 CG2 ILE A 327 34.582 4.295 -6.840 1.00 0.00 C ATOM 256 CD1 ILE A 327 35.810 1.641 -5.664 1.00 0.00 C ATOM 0 H ILE A 327 33.813 4.155 -2.653 1.00 0.00 H new ATOM 0 HA ILE A 327 35.224 5.761 -4.676 1.00 0.00 H new ATOM 0 HB ILE A 327 33.680 3.198 -5.250 1.00 0.00 H new ATOM 0 HG12 ILE A 327 36.684 3.570 -5.403 1.00 0.00 H new ATOM 0 HG13 ILE A 327 35.894 2.938 -3.972 1.00 0.00 H new ATOM 0 HG21 ILE A 327 34.668 3.427 -7.494 1.00 0.00 H new ATOM 0 HG22 ILE A 327 33.663 4.834 -7.071 1.00 0.00 H new ATOM 0 HG23 ILE A 327 35.437 4.953 -6.996 1.00 0.00 H new ATOM 0 HD11 ILE A 327 36.728 1.124 -5.385 1.00 0.00 H new ATOM 0 HD12 ILE A 327 34.951 1.080 -5.297 1.00 0.00 H new ATOM 0 HD13 ILE A 327 35.754 1.721 -6.750 1.00 0.00 H new ATOM 268 N GLY A 328 33.015 6.614 -5.639 1.00 0.00 N ATOM 269 CA GLY A 328 31.775 7.308 -5.932 1.00 0.00 C ATOM 270 C GLY A 328 31.764 7.913 -7.322 1.00 0.00 C ATOM 271 O GLY A 328 32.614 7.592 -8.153 1.00 0.00 O ATOM 0 H GLY A 328 33.803 6.876 -6.231 1.00 0.00 H new ATOM 0 HA2 GLY A 328 30.941 6.613 -5.835 1.00 0.00 H new ATOM 0 HA3 GLY A 328 31.620 8.096 -5.195 1.00 0.00 H new