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 31:sc= 0.058 USER MOD Single : A 317 GLN : amide:sc= -1.39 K(o=-1.4,f=-0.27) USER MOD Single : A 326 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 25.868 5.215 -4.474 1.00 0.00 N ATOM 2 CA LYS A 312 26.796 5.130 -3.353 1.00 0.00 C ATOM 3 C LYS A 312 27.093 3.677 -2.999 1.00 0.00 C ATOM 4 O LYS A 312 26.203 2.929 -2.595 1.00 0.00 O ATOM 5 CB LYS A 312 26.225 5.857 -2.135 1.00 0.00 C ATOM 6 CG LYS A 312 26.120 7.362 -2.321 1.00 0.00 C ATOM 7 CD LYS A 312 27.480 8.032 -2.213 1.00 0.00 C ATOM 8 CE LYS A 312 27.371 9.540 -2.368 1.00 0.00 C ATOM 9 NZ LYS A 312 28.652 10.145 -2.825 1.00 0.00 N ATOM 0 HA LYS A 312 27.729 5.610 -3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.236 5.456 -1.914 1.00 0.00 H new ATOM 0 HB3 LYS A 312 26.854 5.649 -1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 312 25.682 7.580 -3.295 1.00 0.00 H new ATOM 0 HG3 LYS A 312 25.448 7.777 -1.570 1.00 0.00 H new ATOM 0 HD2 LYS A 312 27.928 7.796 -1.248 1.00 0.00 H new ATOM 0 HD3 LYS A 312 28.145 7.633 -2.979 1.00 0.00 H new ATOM 0 HE2 LYS A 312 26.583 9.775 -3.083 1.00 0.00 H new ATOM 0 HE3 LYS A 312 27.080 9.983 -1.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 28.536 11.174 -2.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 29.399 9.942 -2.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 28.917 9.742 -3.746 1.00 0.00 H new ATOM 23 N SER A 313 28.354 3.287 -3.153 1.00 0.00 N ATOM 24 CA SER A 313 28.777 1.925 -2.849 1.00 0.00 C ATOM 25 C SER A 313 30.228 1.905 -2.378 1.00 0.00 C ATOM 26 O SER A 313 31.152 2.056 -3.177 1.00 0.00 O ATOM 27 CB SER A 313 28.615 1.031 -4.079 1.00 0.00 C ATOM 28 OG SER A 313 27.348 0.395 -4.084 1.00 0.00 O ATOM 0 H SER A 313 29.101 3.896 -3.487 1.00 0.00 H new ATOM 0 HA SER A 313 28.145 1.542 -2.048 1.00 0.00 H new ATOM 0 HB2 SER A 313 28.729 1.628 -4.984 1.00 0.00 H new ATOM 0 HB3 SER A 313 29.403 0.278 -4.092 1.00 0.00 H new ATOM 0 HG SER A 313 26.689 0.975 -3.647 1.00 0.00 H new ATOM 34 N ILE A 314 30.422 1.725 -1.075 1.00 0.00 N ATOM 35 CA ILE A 314 31.762 1.693 -0.501 1.00 0.00 C ATOM 36 C ILE A 314 32.291 0.270 -0.401 1.00 0.00 C ATOM 37 O ILE A 314 31.526 -0.695 -0.402 1.00 0.00 O ATOM 38 CB ILE A 314 31.804 2.316 0.910 1.00 0.00 C ATOM 39 CG1 ILE A 314 30.812 3.473 1.030 1.00 0.00 C ATOM 40 CG2 ILE A 314 33.213 2.788 1.236 1.00 0.00 C ATOM 41 CD1 ILE A 314 31.022 4.562 0.002 1.00 0.00 C ATOM 0 H ILE A 314 29.669 1.599 -0.398 1.00 0.00 H new ATOM 0 HA ILE A 314 32.387 2.279 -1.175 1.00 0.00 H new ATOM 0 HB ILE A 314 31.515 1.549 1.629 1.00 0.00 H new ATOM 0 HG12 ILE A 314 29.799 3.083 0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.891 3.906 2.027 1.00 0.00 H new ATOM 0 HG21 ILE A 314 33.228 3.225 2.234 1.00 0.00 H new ATOM 0 HG22 ILE A 314 33.898 1.941 1.200 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.524 3.537 0.507 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.282 5.349 0.149 1.00 0.00 H new ATOM 0 HD12 ILE A 314 32.023 4.980 0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 314 30.913 4.144 -0.999 1.00 0.00 H new ATOM 53 N ARG A 315 33.606 0.153 -0.290 1.00 0.00 N ATOM 54 CA ARG A 315 34.256 -1.142 -0.161 1.00 0.00 C ATOM 55 C ARG A 315 35.384 -1.054 0.858 1.00 0.00 C ATOM 56 O ARG A 315 36.555 -0.930 0.497 1.00 0.00 O ATOM 57 CB ARG A 315 34.800 -1.610 -1.511 1.00 0.00 C ATOM 58 CG ARG A 315 35.344 -3.028 -1.489 1.00 0.00 C ATOM 59 CD ARG A 315 34.274 -4.031 -1.089 1.00 0.00 C ATOM 60 NE ARG A 315 33.141 -4.021 -2.012 1.00 0.00 N ATOM 61 CZ ARG A 315 32.170 -4.932 -2.005 1.00 0.00 C ATOM 62 NH1 ARG A 315 32.190 -5.926 -1.126 1.00 0.00 N ATOM 63 NH2 ARG A 315 31.178 -4.849 -2.879 1.00 0.00 N ATOM 0 H ARG A 315 34.248 0.946 -0.287 1.00 0.00 H new ATOM 0 HA ARG A 315 33.520 -1.869 0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 315 34.006 -1.546 -2.255 1.00 0.00 H new ATOM 0 HB3 ARG A 315 35.591 -0.931 -1.830 1.00 0.00 H new ATOM 0 HG2 ARG A 315 35.734 -3.284 -2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 315 36.179 -3.087 -0.791 1.00 0.00 H new ATOM 0 HD2 ARG A 315 34.708 -5.031 -1.058 1.00 0.00 H new ATOM 0 HD3 ARG A 315 33.923 -3.805 -0.082 1.00 0.00 H new ATOM 0 HE ARG A 315 33.091 -3.272 -2.702 1.00 0.00 H new ATOM 0 HH11 ARG A 315 32.952 -5.995 -0.451 1.00 0.00 H new ATOM 0 HH12 ARG A 315 31.444 -6.621 -1.125 1.00 0.00 H new ATOM 0 HH21 ARG A 315 31.158 -4.087 -3.557 1.00 0.00 H new ATOM 0 HH22 ARG A 315 30.434 -5.547 -2.874 1.00 0.00 H new ATOM 77 N ILE A 316 35.019 -1.104 2.132 1.00 0.00 N ATOM 78 CA ILE A 316 35.992 -1.015 3.213 1.00 0.00 C ATOM 79 C ILE A 316 36.144 -2.349 3.936 1.00 0.00 C ATOM 80 O ILE A 316 35.156 -2.991 4.291 1.00 0.00 O ATOM 81 CB ILE A 316 35.607 0.074 4.235 1.00 0.00 C ATOM 82 CG1 ILE A 316 34.086 0.213 4.334 1.00 0.00 C ATOM 83 CG2 ILE A 316 36.236 1.405 3.852 1.00 0.00 C ATOM 84 CD1 ILE A 316 33.647 1.237 5.353 1.00 0.00 C ATOM 0 H ILE A 316 34.053 -1.206 2.443 1.00 0.00 H new ATOM 0 HA ILE A 316 36.944 -0.748 2.753 1.00 0.00 H new ATOM 0 HB ILE A 316 35.987 -0.225 5.212 1.00 0.00 H new ATOM 0 HG12 ILE A 316 33.689 0.489 3.357 1.00 0.00 H new ATOM 0 HG13 ILE A 316 33.655 -0.754 4.592 1.00 0.00 H new ATOM 0 HG21 ILE A 316 35.955 2.164 4.583 1.00 0.00 H new ATOM 0 HG22 ILE A 316 37.321 1.303 3.834 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.883 1.704 2.865 1.00 0.00 H new ATOM 0 HD11 ILE A 316 32.558 1.286 5.373 1.00 0.00 H new ATOM 0 HD12 ILE A 316 34.016 0.951 6.338 1.00 0.00 H new ATOM 0 HD13 ILE A 316 34.050 2.214 5.084 1.00 0.00 H new ATOM 96 N GLN A 317 37.390 -2.758 4.151 1.00 0.00 N ATOM 97 CA GLN A 317 37.678 -4.015 4.832 1.00 0.00 C ATOM 98 C GLN A 317 38.399 -3.767 6.153 1.00 0.00 C ATOM 99 O GLN A 317 39.144 -2.796 6.294 1.00 0.00 O ATOM 100 CB GLN A 317 38.524 -4.919 3.937 1.00 0.00 C ATOM 101 CG GLN A 317 38.065 -6.369 3.934 1.00 0.00 C ATOM 102 CD GLN A 317 38.723 -7.185 2.840 1.00 0.00 C ATOM 103 OE1 GLN A 317 38.089 -8.038 2.218 1.00 0.00 O ATOM 104 NE2 GLN A 317 40.002 -6.927 2.599 1.00 0.00 N ATOM 0 H GLN A 317 38.218 -2.236 3.863 1.00 0.00 H new ATOM 0 HA GLN A 317 36.730 -4.510 5.045 1.00 0.00 H new ATOM 0 HB2 GLN A 317 38.497 -4.535 2.917 1.00 0.00 H new ATOM 0 HB3 GLN A 317 39.562 -4.875 4.267 1.00 0.00 H new ATOM 0 HG2 GLN A 317 38.287 -6.819 4.902 1.00 0.00 H new ATOM 0 HG3 GLN A 317 36.983 -6.404 3.807 1.00 0.00 H new ATOM 0 HE21 GLN A 317 40.488 -6.211 3.139 1.00 0.00 H new ATOM 0 HE22 GLN A 317 40.499 -7.444 1.874 1.00 0.00 H new ATOM 113 N ARG A 318 38.172 -4.652 7.118 1.00 0.00 N ATOM 114 CA ARG A 318 38.799 -4.532 8.431 1.00 0.00 C ATOM 115 C ARG A 318 39.640 -5.766 8.742 1.00 0.00 C ATOM 116 O ARG A 318 39.379 -6.854 8.229 1.00 0.00 O ATOM 117 CB ARG A 318 37.738 -4.333 9.517 1.00 0.00 C ATOM 118 CG ARG A 318 36.435 -5.070 9.247 1.00 0.00 C ATOM 119 CD ARG A 318 36.601 -6.572 9.416 1.00 0.00 C ATOM 120 NE ARG A 318 37.293 -6.912 10.657 1.00 0.00 N ATOM 121 CZ ARG A 318 36.705 -6.935 11.851 1.00 0.00 C ATOM 122 NH1 ARG A 318 35.417 -6.641 11.969 1.00 0.00 N ATOM 123 NH2 ARG A 318 37.409 -7.252 12.929 1.00 0.00 N ATOM 0 H ARG A 318 37.559 -5.461 7.016 1.00 0.00 H new ATOM 0 HA ARG A 318 39.453 -3.660 8.415 1.00 0.00 H new ATOM 0 HB2 ARG A 318 38.142 -4.668 10.472 1.00 0.00 H new ATOM 0 HB3 ARG A 318 37.528 -3.268 9.616 1.00 0.00 H new ATOM 0 HG2 ARG A 318 35.664 -4.709 9.927 1.00 0.00 H new ATOM 0 HG3 ARG A 318 36.095 -4.852 8.235 1.00 0.00 H new ATOM 0 HD2 ARG A 318 35.621 -7.048 9.406 1.00 0.00 H new ATOM 0 HD3 ARG A 318 37.158 -6.972 8.569 1.00 0.00 H new ATOM 0 HE ARG A 318 38.285 -7.145 10.605 1.00 0.00 H new ATOM 0 HH11 ARG A 318 34.872 -6.396 11.142 1.00 0.00 H new ATOM 0 HH12 ARG A 318 34.971 -6.660 12.886 1.00 0.00 H new ATOM 0 HH21 ARG A 318 38.400 -7.478 12.843 1.00 0.00 H new ATOM 0 HH22 ARG A 318 36.960 -7.270 13.844 1.00 0.00 H new ATOM 137 N GLY A 319 40.652 -5.590 9.586 1.00 0.00 N ATOM 138 CA GLY A 319 41.517 -6.698 9.949 1.00 0.00 C ATOM 139 C GLY A 319 42.953 -6.482 9.508 1.00 0.00 C ATOM 140 O GLY A 319 43.217 -5.655 8.636 1.00 0.00 O ATOM 0 H GLY A 319 40.888 -4.700 10.025 1.00 0.00 H new ATOM 0 HA2 GLY A 319 41.489 -6.838 11.030 1.00 0.00 H new ATOM 0 HA3 GLY A 319 41.136 -7.615 9.499 1.00 0.00 H new ATOM 144 N PRO A 320 43.912 -7.215 10.100 1.00 0.00 N ATOM 145 CA PRO A 320 45.331 -7.087 9.753 1.00 0.00 C ATOM 146 C PRO A 320 45.576 -7.216 8.253 1.00 0.00 C ATOM 147 O PRO A 320 45.099 -8.153 7.614 1.00 0.00 O ATOM 148 CB PRO A 320 45.988 -8.249 10.502 1.00 0.00 C ATOM 149 CG PRO A 320 45.076 -8.525 11.646 1.00 0.00 C ATOM 150 CD PRO A 320 43.688 -8.223 11.152 1.00 0.00 C ATOM 0 HA PRO A 320 45.728 -6.109 10.024 1.00 0.00 H new ATOM 0 HB2 PRO A 320 46.095 -9.124 9.861 1.00 0.00 H new ATOM 0 HB3 PRO A 320 46.987 -7.983 10.847 1.00 0.00 H new ATOM 0 HG2 PRO A 320 45.158 -9.563 11.969 1.00 0.00 H new ATOM 0 HG3 PRO A 320 45.328 -7.903 12.505 1.00 0.00 H new ATOM 0 HD2 PRO A 320 43.199 -9.114 10.757 1.00 0.00 H new ATOM 0 HD3 PRO A 320 43.053 -7.837 11.949 1.00 0.00 H new ATOM 158 N GLY A 321 46.326 -6.269 7.699 1.00 0.00 N ATOM 159 CA GLY A 321 46.626 -6.294 6.280 1.00 0.00 C ATOM 160 C GLY A 321 45.413 -5.991 5.420 1.00 0.00 C ATOM 161 O GLY A 321 45.345 -6.406 4.264 1.00 0.00 O ATOM 0 H GLY A 321 46.732 -5.484 8.208 1.00 0.00 H new ATOM 0 HA2 GLY A 321 47.409 -5.567 6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 321 47.020 -7.275 6.013 1.00 0.00 H new ATOM 165 N ARG A 322 44.455 -5.262 5.986 1.00 0.00 N ATOM 166 CA ARG A 322 43.242 -4.901 5.261 1.00 0.00 C ATOM 167 C ARG A 322 43.243 -3.416 4.910 1.00 0.00 C ATOM 168 O ARG A 322 43.618 -2.576 5.727 1.00 0.00 O ATOM 169 CB ARG A 322 42.004 -5.242 6.092 1.00 0.00 C ATOM 170 CG ARG A 322 41.895 -6.716 6.446 1.00 0.00 C ATOM 171 CD ARG A 322 40.948 -7.449 5.508 1.00 0.00 C ATOM 172 NE ARG A 322 40.143 -8.445 6.211 1.00 0.00 N ATOM 173 CZ ARG A 322 40.606 -9.628 6.607 1.00 0.00 C ATOM 174 NH1 ARG A 322 41.867 -9.968 6.369 1.00 0.00 N ATOM 175 NH2 ARG A 322 39.807 -10.475 7.243 1.00 0.00 N ATOM 0 H ARG A 322 44.496 -4.911 6.943 1.00 0.00 H new ATOM 0 HA ARG A 322 43.216 -5.475 4.335 1.00 0.00 H new ATOM 0 HB2 ARG A 322 42.021 -4.657 7.011 1.00 0.00 H new ATOM 0 HB3 ARG A 322 41.113 -4.943 5.540 1.00 0.00 H new ATOM 0 HG2 ARG A 322 42.882 -7.176 6.400 1.00 0.00 H new ATOM 0 HG3 ARG A 322 41.543 -6.819 7.473 1.00 0.00 H new ATOM 0 HD2 ARG A 322 40.290 -6.729 5.022 1.00 0.00 H new ATOM 0 HD3 ARG A 322 41.523 -7.937 4.721 1.00 0.00 H new ATOM 0 HE ARG A 322 39.168 -8.220 6.410 1.00 0.00 H new ATOM 0 HH11 ARG A 322 42.486 -9.321 5.880 1.00 0.00 H new ATOM 0 HH12 ARG A 322 42.217 -10.876 6.675 1.00 0.00 H new ATOM 0 HH21 ARG A 322 38.837 -10.220 7.429 1.00 0.00 H new ATOM 0 HH22 ARG A 322 40.163 -11.382 7.546 1.00 0.00 H new ATOM 189 N ALA A 323 42.823 -3.102 3.688 1.00 0.00 N ATOM 190 CA ALA A 323 42.778 -1.720 3.228 1.00 0.00 C ATOM 191 C ALA A 323 41.340 -1.229 3.100 1.00 0.00 C ATOM 192 O ALA A 323 40.395 -2.014 3.182 1.00 0.00 O ATOM 193 CB ALA A 323 43.505 -1.584 1.899 1.00 0.00 C ATOM 0 H ALA A 323 42.509 -3.786 3.000 1.00 0.00 H new ATOM 0 HA ALA A 323 43.280 -1.099 3.970 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.464 -0.547 1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.545 -1.885 2.021 1.00 0.00 H new ATOM 0 HB3 ALA A 323 43.027 -2.222 1.156 1.00 0.00 H new ATOM 199 N PHE A 324 41.181 0.074 2.893 1.00 0.00 N ATOM 200 CA PHE A 324 39.859 0.672 2.752 1.00 0.00 C ATOM 201 C PHE A 324 39.662 1.229 1.346 1.00 0.00 C ATOM 202 O PHE A 324 40.572 1.827 0.771 1.00 0.00 O ATOM 203 CB PHE A 324 39.665 1.786 3.783 1.00 0.00 C ATOM 204 CG PHE A 324 39.586 1.290 5.199 1.00 0.00 C ATOM 205 CD1 PHE A 324 38.684 0.299 5.551 1.00 0.00 C ATOM 206 CD2 PHE A 324 40.414 1.815 6.178 1.00 0.00 C ATOM 207 CE1 PHE A 324 38.608 -0.158 6.852 1.00 0.00 C ATOM 208 CE2 PHE A 324 40.343 1.361 7.482 1.00 0.00 C ATOM 209 CZ PHE A 324 39.439 0.373 7.819 1.00 0.00 C ATOM 0 H PHE A 324 41.953 0.737 2.819 1.00 0.00 H new ATOM 0 HA PHE A 324 39.117 -0.107 2.925 1.00 0.00 H new ATOM 0 HB2 PHE A 324 40.490 2.493 3.700 1.00 0.00 H new ATOM 0 HB3 PHE A 324 38.752 2.333 3.547 1.00 0.00 H new ATOM 0 HD1 PHE A 324 38.033 -0.121 4.799 1.00 0.00 H new ATOM 0 HD2 PHE A 324 41.123 2.588 5.920 1.00 0.00 H new ATOM 0 HE1 PHE A 324 37.899 -0.930 7.113 1.00 0.00 H new ATOM 0 HE2 PHE A 324 40.994 1.779 8.236 1.00 0.00 H new ATOM 0 HZ PHE A 324 39.382 0.016 8.837 1.00 0.00 H new ATOM 219 N VAL A 325 38.468 1.030 0.797 1.00 0.00 N ATOM 220 CA VAL A 325 38.153 1.514 -0.542 1.00 0.00 C ATOM 221 C VAL A 325 36.747 2.105 -0.595 1.00 0.00 C ATOM 222 O VAL A 325 35.910 1.817 0.261 1.00 0.00 O ATOM 223 CB VAL A 325 38.264 0.389 -1.587 1.00 0.00 C ATOM 224 CG1 VAL A 325 38.160 0.955 -2.995 1.00 0.00 C ATOM 225 CG2 VAL A 325 39.563 -0.381 -1.409 1.00 0.00 C ATOM 0 H VAL A 325 37.703 0.537 1.258 1.00 0.00 H new ATOM 0 HA VAL A 325 38.881 2.290 -0.777 1.00 0.00 H new ATOM 0 HB VAL A 325 37.436 -0.303 -1.436 1.00 0.00 H new ATOM 0 HG11 VAL A 325 38.241 0.145 -3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 325 37.199 1.456 -3.116 1.00 0.00 H new ATOM 0 HG13 VAL A 325 38.965 1.671 -3.160 1.00 0.00 H new ATOM 0 HG21 VAL A 325 39.623 -1.172 -2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 325 40.408 0.297 -1.530 1.00 0.00 H new ATOM 0 HG23 VAL A 325 39.591 -0.821 -0.412 1.00 0.00 H new ATOM 235 N THR A 326 36.495 2.933 -1.603 1.00 0.00 N ATOM 236 CA THR A 326 35.193 3.565 -1.765 1.00 0.00 C ATOM 237 C THR A 326 34.868 3.774 -3.241 1.00 0.00 C ATOM 238 O THR A 326 35.736 4.139 -4.033 1.00 0.00 O ATOM 239 CB THR A 326 35.153 4.903 -1.026 1.00 0.00 C ATOM 240 OG1 THR A 326 35.845 5.900 -1.756 1.00 0.00 O ATOM 241 CG2 THR A 326 35.761 4.843 0.358 1.00 0.00 C ATOM 0 H THR A 326 37.176 3.182 -2.320 1.00 0.00 H new ATOM 0 HA THR A 326 34.441 2.902 -1.337 1.00 0.00 H new ATOM 0 HB THR A 326 34.095 5.146 -0.929 1.00 0.00 H new ATOM 0 HG1 THR A 326 35.807 6.749 -1.268 1.00 0.00 H new ATOM 0 HG21 THR A 326 35.699 5.826 0.825 1.00 0.00 H new ATOM 0 HG22 THR A 326 35.217 4.118 0.964 1.00 0.00 H new ATOM 0 HG23 THR A 326 36.806 4.541 0.284 1.00 0.00 H new ATOM 249 N ILE A 327 33.611 3.540 -3.603 1.00 0.00 N ATOM 250 CA ILE A 327 33.169 3.702 -4.983 1.00 0.00 C ATOM 251 C ILE A 327 31.851 4.464 -5.051 1.00 0.00 C ATOM 252 O ILE A 327 31.101 4.518 -4.076 1.00 0.00 O ATOM 253 CB ILE A 327 32.997 2.339 -5.683 1.00 0.00 C ATOM 254 CG1 ILE A 327 34.224 1.459 -5.441 1.00 0.00 C ATOM 255 CG2 ILE A 327 32.762 2.536 -7.173 1.00 0.00 C ATOM 256 CD1 ILE A 327 34.043 0.467 -4.312 1.00 0.00 C ATOM 0 H ILE A 327 32.880 3.237 -2.959 1.00 0.00 H new ATOM 0 HA ILE A 327 33.943 4.271 -5.498 1.00 0.00 H new ATOM 0 HB ILE A 327 32.126 1.837 -5.262 1.00 0.00 H new ATOM 0 HG12 ILE A 327 34.458 0.916 -6.357 1.00 0.00 H new ATOM 0 HG13 ILE A 327 35.080 2.096 -5.220 1.00 0.00 H new ATOM 0 HG21 ILE A 327 32.642 1.565 -7.654 1.00 0.00 H new ATOM 0 HG22 ILE A 327 31.860 3.129 -7.324 1.00 0.00 H new ATOM 0 HG23 ILE A 327 33.615 3.055 -7.610 1.00 0.00 H new ATOM 0 HD11 ILE A 327 34.952 -0.123 -4.197 1.00 0.00 H new ATOM 0 HD12 ILE A 327 33.839 1.004 -3.385 1.00 0.00 H new ATOM 0 HD13 ILE A 327 33.207 -0.195 -4.540 1.00 0.00 H new ATOM 268 N GLY A 328 31.573 5.054 -6.210 1.00 0.00 N ATOM 269 CA GLY A 328 30.344 5.805 -6.385 1.00 0.00 C ATOM 270 C GLY A 328 30.591 7.207 -6.907 1.00 0.00 C ATOM 271 O GLY A 328 31.728 7.680 -6.919 1.00 0.00 O ATOM 0 H GLY A 328 32.178 5.025 -7.031 1.00 0.00 H new ATOM 0 HA2 GLY A 328 29.692 5.272 -7.077 1.00 0.00 H new ATOM 0 HA3 GLY A 328 29.818 5.863 -5.432 1.00 0.00 H new TER 275 GLY A 328