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= -0.135 USER MOD Single : A 317 GLN : amide:sc=-0.00399 X(o=-0.004,f=0) USER MOD Single : A 326 THR OG1 : rot 24:sc= 0.685 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.127 5.852 -4.089 1.00 0.00 N ATOM 2 CA LYS A 312 27.018 5.666 -2.950 1.00 0.00 C ATOM 3 C LYS A 312 27.290 4.185 -2.708 1.00 0.00 C ATOM 4 O LYS A 312 26.380 3.419 -2.387 1.00 0.00 O ATOM 5 CB LYS A 312 26.416 6.298 -1.694 1.00 0.00 C ATOM 6 CG LYS A 312 26.395 7.817 -1.729 1.00 0.00 C ATOM 7 CD LYS A 312 27.788 8.398 -1.546 1.00 0.00 C ATOM 8 CE LYS A 312 27.877 9.814 -2.091 1.00 0.00 C ATOM 9 NZ LYS A 312 28.456 9.845 -3.463 1.00 0.00 N ATOM 0 HA LYS A 312 27.964 6.158 -3.177 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.398 5.932 -1.565 1.00 0.00 H new ATOM 0 HB3 LYS A 312 26.985 5.971 -0.824 1.00 0.00 H new ATOM 0 HG2 LYS A 312 25.981 8.154 -2.679 1.00 0.00 H new ATOM 0 HG3 LYS A 312 25.738 8.191 -0.944 1.00 0.00 H new ATOM 0 HD2 LYS A 312 28.047 8.398 -0.487 1.00 0.00 H new ATOM 0 HD3 LYS A 312 28.517 7.765 -2.053 1.00 0.00 H new ATOM 0 HE2 LYS A 312 26.883 10.260 -2.106 1.00 0.00 H new ATOM 0 HE3 LYS A 312 28.489 10.422 -1.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 28.500 10.828 -3.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 29.415 9.442 -3.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 27.858 9.286 -4.105 1.00 0.00 H new ATOM 23 N SER A 313 28.549 3.788 -2.862 1.00 0.00 N ATOM 24 CA SER A 313 28.943 2.398 -2.659 1.00 0.00 C ATOM 25 C SER A 313 30.370 2.312 -2.127 1.00 0.00 C ATOM 26 O SER A 313 31.332 2.507 -2.870 1.00 0.00 O ATOM 27 CB SER A 313 28.826 1.617 -3.969 1.00 0.00 C ATOM 28 OG SER A 313 27.836 2.180 -4.813 1.00 0.00 O ATOM 0 H SER A 313 29.314 4.409 -3.127 1.00 0.00 H new ATOM 0 HA SER A 313 28.272 1.958 -1.922 1.00 0.00 H new ATOM 0 HB2 SER A 313 29.788 1.616 -4.482 1.00 0.00 H new ATOM 0 HB3 SER A 313 28.577 0.577 -3.755 1.00 0.00 H new ATOM 0 HG SER A 313 27.782 1.663 -5.644 1.00 0.00 H new ATOM 34 N ILE A 314 30.500 2.019 -0.838 1.00 0.00 N ATOM 35 CA ILE A 314 31.811 1.908 -0.208 1.00 0.00 C ATOM 36 C ILE A 314 32.313 0.472 -0.231 1.00 0.00 C ATOM 37 O ILE A 314 31.533 -0.469 -0.378 1.00 0.00 O ATOM 38 CB ILE A 314 31.790 2.384 1.259 1.00 0.00 C ATOM 39 CG1 ILE A 314 30.787 3.524 1.451 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.181 2.822 1.691 1.00 0.00 C ATOM 41 CD1 ILE A 314 31.066 4.728 0.578 1.00 0.00 C ATOM 0 H ILE A 314 29.714 1.854 -0.209 1.00 0.00 H new ATOM 0 HA ILE A 314 32.478 2.548 -0.785 1.00 0.00 H new ATOM 0 HB ILE A 314 31.475 1.548 1.884 1.00 0.00 H new ATOM 0 HG12 ILE A 314 29.784 3.155 1.237 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.796 3.833 2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 314 33.152 3.156 2.728 1.00 0.00 H new ATOM 0 HG22 ILE A 314 33.871 1.984 1.599 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.518 3.641 1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.316 5.496 0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 314 32.056 5.123 0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 314 31.028 4.434 -0.471 1.00 0.00 H new ATOM 53 N ARG A 315 33.621 0.313 -0.071 1.00 0.00 N ATOM 54 CA ARG A 315 34.232 -1.007 -0.056 1.00 0.00 C ATOM 55 C ARG A 315 35.258 -1.101 1.067 1.00 0.00 C ATOM 56 O ARG A 315 36.461 -0.974 0.838 1.00 0.00 O ATOM 57 CB ARG A 315 34.891 -1.306 -1.405 1.00 0.00 C ATOM 58 CG ARG A 315 34.200 -2.411 -2.188 1.00 0.00 C ATOM 59 CD ARG A 315 32.896 -1.928 -2.803 1.00 0.00 C ATOM 60 NE ARG A 315 31.843 -2.935 -2.714 1.00 0.00 N ATOM 61 CZ ARG A 315 30.743 -2.928 -3.465 1.00 0.00 C ATOM 62 NH1 ARG A 315 30.548 -1.966 -4.358 1.00 0.00 N ATOM 63 NH2 ARG A 315 29.836 -3.884 -3.321 1.00 0.00 N ATOM 0 H ARG A 315 34.278 1.084 0.050 1.00 0.00 H new ATOM 0 HA ARG A 315 33.453 -1.748 0.120 1.00 0.00 H new ATOM 0 HB2 ARG A 315 34.899 -0.397 -2.006 1.00 0.00 H new ATOM 0 HB3 ARG A 315 35.931 -1.586 -1.238 1.00 0.00 H new ATOM 0 HG2 ARG A 315 34.863 -2.770 -2.975 1.00 0.00 H new ATOM 0 HG3 ARG A 315 34.001 -3.256 -1.529 1.00 0.00 H new ATOM 0 HD2 ARG A 315 32.572 -1.019 -2.297 1.00 0.00 H new ATOM 0 HD3 ARG A 315 33.062 -1.669 -3.849 1.00 0.00 H new ATOM 0 HE ARG A 315 31.956 -3.689 -2.036 1.00 0.00 H new ATOM 0 HH11 ARG A 315 31.242 -1.227 -4.472 1.00 0.00 H new ATOM 0 HH12 ARG A 315 29.704 -1.965 -4.931 1.00 0.00 H new ATOM 0 HH21 ARG A 315 29.980 -4.625 -2.635 1.00 0.00 H new ATOM 0 HH22 ARG A 315 28.994 -3.879 -3.896 1.00 0.00 H new ATOM 77 N ILE A 316 34.771 -1.317 2.283 1.00 0.00 N ATOM 78 CA ILE A 316 35.638 -1.420 3.449 1.00 0.00 C ATOM 79 C ILE A 316 35.495 -2.777 4.128 1.00 0.00 C ATOM 80 O ILE A 316 34.394 -3.190 4.489 1.00 0.00 O ATOM 81 CB ILE A 316 35.335 -0.311 4.473 1.00 0.00 C ATOM 82 CG1 ILE A 316 33.828 -0.084 4.587 1.00 0.00 C ATOM 83 CG2 ILE A 316 36.039 0.979 4.081 1.00 0.00 C ATOM 84 CD1 ILE A 316 33.460 0.929 5.644 1.00 0.00 C ATOM 0 H ILE A 316 33.777 -1.424 2.487 1.00 0.00 H new ATOM 0 HA ILE A 316 36.661 -1.305 3.091 1.00 0.00 H new ATOM 0 HB ILE A 316 35.710 -0.628 5.446 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.443 0.249 3.623 1.00 0.00 H new ATOM 0 HG13 ILE A 316 33.340 -1.032 4.815 1.00 0.00 H new ATOM 0 HG21 ILE A 316 35.815 1.753 4.815 1.00 0.00 H new ATOM 0 HG22 ILE A 316 37.115 0.811 4.048 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.692 1.299 3.098 1.00 0.00 H new ATOM 0 HD11 ILE A 316 32.377 1.045 5.675 1.00 0.00 H new ATOM 0 HD12 ILE A 316 33.816 0.587 6.616 1.00 0.00 H new ATOM 0 HD13 ILE A 316 33.921 1.888 5.405 1.00 0.00 H new ATOM 96 N GLN A 317 36.618 -3.467 4.299 1.00 0.00 N ATOM 97 CA GLN A 317 36.622 -4.779 4.934 1.00 0.00 C ATOM 98 C GLN A 317 37.731 -4.874 5.976 1.00 0.00 C ATOM 99 O GLN A 317 38.702 -4.118 5.935 1.00 0.00 O ATOM 100 CB GLN A 317 36.797 -5.878 3.885 1.00 0.00 C ATOM 101 CG GLN A 317 38.083 -5.755 3.085 1.00 0.00 C ATOM 102 CD GLN A 317 37.851 -5.216 1.687 1.00 0.00 C ATOM 103 OE1 GLN A 317 37.435 -5.946 0.788 1.00 0.00 O ATOM 104 NE2 GLN A 317 38.120 -3.929 1.498 1.00 0.00 N ATOM 0 H GLN A 317 37.538 -3.138 4.006 1.00 0.00 H new ATOM 0 HA GLN A 317 35.663 -4.915 5.435 1.00 0.00 H new ATOM 0 HB2 GLN A 317 36.779 -6.848 4.381 1.00 0.00 H new ATOM 0 HB3 GLN A 317 35.949 -5.854 3.200 1.00 0.00 H new ATOM 0 HG2 GLN A 317 38.774 -5.098 3.614 1.00 0.00 H new ATOM 0 HG3 GLN A 317 38.560 -6.733 3.019 1.00 0.00 H new ATOM 0 HE21 GLN A 317 38.463 -3.361 2.272 1.00 0.00 H new ATOM 0 HE22 GLN A 317 37.983 -3.509 0.579 1.00 0.00 H new ATOM 113 N ARG A 318 37.581 -5.806 6.912 1.00 0.00 N ATOM 114 CA ARG A 318 38.572 -5.999 7.964 1.00 0.00 C ATOM 115 C ARG A 318 39.504 -7.159 7.630 1.00 0.00 C ATOM 116 O ARG A 318 39.242 -7.932 6.708 1.00 0.00 O ATOM 117 CB ARG A 318 37.879 -6.256 9.304 1.00 0.00 C ATOM 118 CG ARG A 318 36.824 -7.349 9.244 1.00 0.00 C ATOM 119 CD ARG A 318 35.418 -6.772 9.297 1.00 0.00 C ATOM 120 NE ARG A 318 34.399 -7.819 9.361 1.00 0.00 N ATOM 121 CZ ARG A 318 33.971 -8.503 8.303 1.00 0.00 C ATOM 122 NH1 ARG A 318 34.470 -8.256 7.097 1.00 0.00 N ATOM 123 NH2 ARG A 318 33.042 -9.438 8.450 1.00 0.00 N ATOM 0 H ARG A 318 36.783 -6.439 6.963 1.00 0.00 H new ATOM 0 HA ARG A 318 39.168 -5.089 8.038 1.00 0.00 H new ATOM 0 HB2 ARG A 318 38.630 -6.528 10.046 1.00 0.00 H new ATOM 0 HB3 ARG A 318 37.413 -5.332 9.646 1.00 0.00 H new ATOM 0 HG2 ARG A 318 36.947 -7.925 8.327 1.00 0.00 H new ATOM 0 HG3 ARG A 318 36.966 -8.039 10.075 1.00 0.00 H new ATOM 0 HD2 ARG A 318 35.325 -6.122 10.167 1.00 0.00 H new ATOM 0 HD3 ARG A 318 35.247 -6.153 8.417 1.00 0.00 H new ATOM 0 HE ARG A 318 33.992 -8.038 10.270 1.00 0.00 H new ATOM 0 HH11 ARG A 318 35.185 -7.539 6.978 1.00 0.00 H new ATOM 0 HH12 ARG A 318 34.138 -8.784 6.290 1.00 0.00 H new ATOM 0 HH21 ARG A 318 32.656 -9.632 9.374 1.00 0.00 H new ATOM 0 HH22 ARG A 318 32.714 -9.963 7.639 1.00 0.00 H new ATOM 137 N GLY A 319 40.590 -7.275 8.385 1.00 0.00 N ATOM 138 CA GLY A 319 41.545 -8.343 8.153 1.00 0.00 C ATOM 139 C GLY A 319 42.975 -7.914 8.428 1.00 0.00 C ATOM 140 O GLY A 319 43.314 -6.743 8.264 1.00 0.00 O ATOM 0 H GLY A 319 40.827 -6.648 9.154 1.00 0.00 H new ATOM 0 HA2 GLY A 319 41.296 -9.193 8.788 1.00 0.00 H new ATOM 0 HA3 GLY A 319 41.463 -8.681 7.120 1.00 0.00 H new ATOM 144 N PRO A 320 43.842 -8.848 8.852 1.00 0.00 N ATOM 145 CA PRO A 320 45.247 -8.546 9.147 1.00 0.00 C ATOM 146 C PRO A 320 45.940 -7.833 7.992 1.00 0.00 C ATOM 147 O PRO A 320 46.473 -8.473 7.084 1.00 0.00 O ATOM 148 CB PRO A 320 45.870 -9.925 9.375 1.00 0.00 C ATOM 149 CG PRO A 320 44.733 -10.787 9.804 1.00 0.00 C ATOM 150 CD PRO A 320 43.524 -10.271 9.076 1.00 0.00 C ATOM 0 HA PRO A 320 45.348 -7.874 9.999 1.00 0.00 H new ATOM 0 HB2 PRO A 320 46.334 -10.305 8.465 1.00 0.00 H new ATOM 0 HB3 PRO A 320 46.648 -9.887 10.138 1.00 0.00 H new ATOM 0 HG2 PRO A 320 44.921 -11.832 9.557 1.00 0.00 H new ATOM 0 HG3 PRO A 320 44.590 -10.735 10.883 1.00 0.00 H new ATOM 0 HD2 PRO A 320 43.365 -10.800 8.136 1.00 0.00 H new ATOM 0 HD3 PRO A 320 42.617 -10.392 9.668 1.00 0.00 H new ATOM 158 N GLY A 321 45.932 -6.504 8.032 1.00 0.00 N ATOM 159 CA GLY A 321 46.565 -5.727 6.982 1.00 0.00 C ATOM 160 C GLY A 321 45.669 -5.548 5.772 1.00 0.00 C ATOM 161 O GLY A 321 46.110 -5.715 4.636 1.00 0.00 O ATOM 0 H GLY A 321 45.499 -5.952 8.772 1.00 0.00 H new ATOM 0 HA2 GLY A 321 46.840 -4.748 7.374 1.00 0.00 H new ATOM 0 HA3 GLY A 321 47.488 -6.219 6.677 1.00 0.00 H new ATOM 165 N ARG A 322 44.408 -5.207 6.016 1.00 0.00 N ATOM 166 CA ARG A 322 43.448 -5.005 4.938 1.00 0.00 C ATOM 167 C ARG A 322 43.292 -3.521 4.619 1.00 0.00 C ATOM 168 O ARG A 322 43.235 -2.685 5.522 1.00 0.00 O ATOM 169 CB ARG A 322 42.091 -5.604 5.315 1.00 0.00 C ATOM 170 CG ARG A 322 42.055 -7.122 5.243 1.00 0.00 C ATOM 171 CD ARG A 322 42.450 -7.625 3.864 1.00 0.00 C ATOM 172 NE ARG A 322 41.706 -6.951 2.802 1.00 0.00 N ATOM 173 CZ ARG A 322 41.995 -7.064 1.508 1.00 0.00 C ATOM 174 NH1 ARG A 322 43.010 -7.821 1.110 1.00 0.00 N ATOM 175 NH2 ARG A 322 41.267 -6.417 0.607 1.00 0.00 N ATOM 0 H ARG A 322 44.027 -5.065 6.952 1.00 0.00 H new ATOM 0 HA ARG A 322 43.826 -5.511 4.050 1.00 0.00 H new ATOM 0 HB2 ARG A 322 41.833 -5.290 6.327 1.00 0.00 H new ATOM 0 HB3 ARG A 322 41.327 -5.199 4.651 1.00 0.00 H new ATOM 0 HG2 ARG A 322 42.730 -7.539 5.990 1.00 0.00 H new ATOM 0 HG3 ARG A 322 41.053 -7.475 5.487 1.00 0.00 H new ATOM 0 HD2 ARG A 322 43.518 -7.469 3.713 1.00 0.00 H new ATOM 0 HD3 ARG A 322 42.273 -8.699 3.805 1.00 0.00 H new ATOM 0 HE ARG A 322 40.919 -6.359 3.068 1.00 0.00 H new ATOM 0 HH11 ARG A 322 43.574 -8.321 1.798 1.00 0.00 H new ATOM 0 HH12 ARG A 322 43.226 -7.903 0.117 1.00 0.00 H new ATOM 0 HH21 ARG A 322 40.486 -5.833 0.906 1.00 0.00 H new ATOM 0 HH22 ARG A 322 41.488 -6.503 -0.385 1.00 0.00 H new ATOM 189 N ALA A 323 43.223 -3.202 3.332 1.00 0.00 N ATOM 190 CA ALA A 323 43.074 -1.819 2.894 1.00 0.00 C ATOM 191 C ALA A 323 41.602 -1.439 2.770 1.00 0.00 C ATOM 192 O ALA A 323 40.732 -2.305 2.693 1.00 0.00 O ATOM 193 CB ALA A 323 43.789 -1.605 1.569 1.00 0.00 C ATOM 0 H ALA A 323 43.268 -3.882 2.573 1.00 0.00 H new ATOM 0 HA ALA A 323 43.527 -1.174 3.647 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.669 -0.568 1.254 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.849 -1.828 1.688 1.00 0.00 H new ATOM 0 HB3 ALA A 323 43.362 -2.265 0.814 1.00 0.00 H new ATOM 199 N PHE A 324 41.332 -0.138 2.752 1.00 0.00 N ATOM 200 CA PHE A 324 39.965 0.357 2.638 1.00 0.00 C ATOM 201 C PHE A 324 39.779 1.148 1.347 1.00 0.00 C ATOM 202 O PHE A 324 40.703 1.809 0.874 1.00 0.00 O ATOM 203 CB PHE A 324 39.616 1.233 3.842 1.00 0.00 C ATOM 204 CG PHE A 324 39.573 0.478 5.140 1.00 0.00 C ATOM 205 CD1 PHE A 324 38.675 -0.563 5.321 1.00 0.00 C ATOM 206 CD2 PHE A 324 40.429 0.808 6.178 1.00 0.00 C ATOM 207 CE1 PHE A 324 38.633 -1.260 6.513 1.00 0.00 C ATOM 208 CE2 PHE A 324 40.392 0.114 7.373 1.00 0.00 C ATOM 209 CZ PHE A 324 39.492 -0.921 7.541 1.00 0.00 C ATOM 0 H PHE A 324 42.041 0.592 2.815 1.00 0.00 H new ATOM 0 HA PHE A 324 39.294 -0.502 2.616 1.00 0.00 H new ATOM 0 HB2 PHE A 324 40.349 2.036 3.922 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.647 1.702 3.671 1.00 0.00 H new ATOM 0 HD1 PHE A 324 38.001 -0.832 4.521 1.00 0.00 H new ATOM 0 HD2 PHE A 324 41.133 1.617 6.052 1.00 0.00 H new ATOM 0 HE1 PHE A 324 37.929 -2.069 6.641 1.00 0.00 H new ATOM 0 HE2 PHE A 324 41.066 0.380 8.174 1.00 0.00 H new ATOM 0 HZ PHE A 324 39.460 -1.464 8.474 1.00 0.00 H new ATOM 219 N VAL A 325 38.578 1.074 0.782 1.00 0.00 N ATOM 220 CA VAL A 325 38.271 1.781 -0.455 1.00 0.00 C ATOM 221 C VAL A 325 36.906 2.459 -0.374 1.00 0.00 C ATOM 222 O VAL A 325 36.068 2.092 0.449 1.00 0.00 O ATOM 223 CB VAL A 325 38.287 0.829 -1.666 1.00 0.00 C ATOM 224 CG1 VAL A 325 38.185 1.612 -2.965 1.00 0.00 C ATOM 225 CG2 VAL A 325 39.542 -0.032 -1.651 1.00 0.00 C ATOM 0 H VAL A 325 37.802 0.532 1.162 1.00 0.00 H new ATOM 0 HA VAL A 325 39.044 2.538 -0.588 1.00 0.00 H new ATOM 0 HB VAL A 325 37.421 0.171 -1.598 1.00 0.00 H new ATOM 0 HG11 VAL A 325 38.198 0.921 -3.808 1.00 0.00 H new ATOM 0 HG12 VAL A 325 37.255 2.180 -2.975 1.00 0.00 H new ATOM 0 HG13 VAL A 325 39.029 2.297 -3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 325 39.536 -0.698 -2.514 1.00 0.00 H new ATOM 0 HG22 VAL A 325 40.423 0.608 -1.693 1.00 0.00 H new ATOM 0 HG23 VAL A 325 39.567 -0.624 -0.736 1.00 0.00 H new ATOM 235 N THR A 326 36.689 3.449 -1.235 1.00 0.00 N ATOM 236 CA THR A 326 35.429 4.176 -1.261 1.00 0.00 C ATOM 237 C THR A 326 35.062 4.581 -2.684 1.00 0.00 C ATOM 238 O THR A 326 35.828 5.266 -3.363 1.00 0.00 O ATOM 239 CB THR A 326 35.510 5.415 -0.370 1.00 0.00 C ATOM 240 OG1 THR A 326 36.396 6.373 -0.921 1.00 0.00 O ATOM 241 CG2 THR A 326 35.981 5.112 1.037 1.00 0.00 C ATOM 0 H THR A 326 37.372 3.765 -1.924 1.00 0.00 H new ATOM 0 HA THR A 326 34.651 3.515 -0.880 1.00 0.00 H new ATOM 0 HB THR A 326 34.492 5.801 -0.321 1.00 0.00 H new ATOM 0 HG1 THR A 326 36.467 6.234 -1.889 1.00 0.00 H new ATOM 0 HG21 THR A 326 36.016 6.035 1.616 1.00 0.00 H new ATOM 0 HG22 THR A 326 35.290 4.413 1.509 1.00 0.00 H new ATOM 0 HG23 THR A 326 36.976 4.669 1.000 1.00 0.00 H new ATOM 249 N ILE A 327 33.885 4.154 -3.130 1.00 0.00 N ATOM 250 CA ILE A 327 33.414 4.470 -4.473 1.00 0.00 C ATOM 251 C ILE A 327 32.106 5.253 -4.425 1.00 0.00 C ATOM 252 O ILE A 327 31.216 4.944 -3.632 1.00 0.00 O ATOM 253 CB ILE A 327 33.204 3.195 -5.311 1.00 0.00 C ATOM 254 CG1 ILE A 327 34.422 2.276 -5.197 1.00 0.00 C ATOM 255 CG2 ILE A 327 32.940 3.555 -6.764 1.00 0.00 C ATOM 256 CD1 ILE A 327 34.416 1.418 -3.949 1.00 0.00 C ATOM 0 H ILE A 327 33.239 3.587 -2.580 1.00 0.00 H new ATOM 0 HA ILE A 327 34.185 5.081 -4.943 1.00 0.00 H new ATOM 0 HB ILE A 327 32.335 2.663 -4.925 1.00 0.00 H new ATOM 0 HG12 ILE A 327 34.462 1.629 -6.073 1.00 0.00 H new ATOM 0 HG13 ILE A 327 35.327 2.883 -5.207 1.00 0.00 H new ATOM 0 HG21 ILE A 327 32.794 2.644 -7.344 1.00 0.00 H new ATOM 0 HG22 ILE A 327 32.045 4.174 -6.829 1.00 0.00 H new ATOM 0 HG23 ILE A 327 33.792 4.106 -7.163 1.00 0.00 H new ATOM 0 HD11 ILE A 327 35.308 0.792 -3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 327 34.407 2.059 -3.067 1.00 0.00 H new ATOM 0 HD13 ILE A 327 33.529 0.785 -3.947 1.00 0.00 H new ATOM 268 N GLY A 328 31.997 6.267 -5.277 1.00 0.00 N ATOM 269 CA GLY A 328 30.794 7.077 -5.314 1.00 0.00 C ATOM 270 C GLY A 328 30.723 7.957 -6.546 1.00 0.00 C ATOM 271 O GLY A 328 31.720 8.564 -6.941 1.00 0.00 O ATOM 0 H GLY A 328 32.720 6.542 -5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 328 29.921 6.426 -5.286 1.00 0.00 H new ATOM 0 HA3 GLY A 328 30.754 7.702 -4.422 1.00 0.00 H new TER 275 GLY A 328