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= -0.15 USER MOD Single : A 317 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 326 THR OG1 : rot 180:sc= -0.0664 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 312 26.633 6.006 -4.312 1.00 0.00 N ATOM 2 CA LYS A 312 27.462 5.745 -3.141 1.00 0.00 C ATOM 3 C LYS A 312 27.804 4.263 -3.031 1.00 0.00 C ATOM 4 O LYS A 312 26.930 3.429 -2.798 1.00 0.00 O ATOM 5 CB LYS A 312 26.746 6.210 -1.871 1.00 0.00 C ATOM 6 CG LYS A 312 26.466 7.704 -1.845 1.00 0.00 C ATOM 7 CD LYS A 312 27.639 8.482 -1.271 1.00 0.00 C ATOM 8 CE LYS A 312 27.174 9.737 -0.550 1.00 0.00 C ATOM 9 NZ LYS A 312 28.128 10.152 0.516 1.00 0.00 N ATOM 0 HA LYS A 312 28.391 6.304 -3.254 1.00 0.00 H new ATOM 0 HB2 LYS A 312 25.804 5.670 -1.776 1.00 0.00 H new ATOM 0 HB3 LYS A 312 27.353 5.947 -1.004 1.00 0.00 H new ATOM 0 HG2 LYS A 312 26.256 8.053 -2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 312 25.574 7.897 -1.250 1.00 0.00 H new ATOM 0 HD2 LYS A 312 28.194 7.848 -0.580 1.00 0.00 H new ATOM 0 HD3 LYS A 312 28.324 8.755 -2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 312 27.059 10.547 -1.270 1.00 0.00 H new ATOM 0 HE3 LYS A 312 26.193 9.560 -0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 312 27.774 11.011 0.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 312 28.219 9.389 1.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 312 29.058 10.346 0.093 1.00 0.00 H new ATOM 23 N SER A 313 29.083 3.945 -3.198 1.00 0.00 N ATOM 24 CA SER A 313 29.547 2.565 -3.116 1.00 0.00 C ATOM 25 C SER A 313 30.857 2.481 -2.340 1.00 0.00 C ATOM 26 O SER A 313 31.891 2.968 -2.796 1.00 0.00 O ATOM 27 CB SER A 313 29.733 1.982 -4.518 1.00 0.00 C ATOM 28 OG SER A 313 30.552 2.821 -5.314 1.00 0.00 O ATOM 0 H SER A 313 29.818 4.625 -3.391 1.00 0.00 H new ATOM 0 HA SER A 313 28.792 1.983 -2.587 1.00 0.00 H new ATOM 0 HB2 SER A 313 30.182 0.991 -4.447 1.00 0.00 H new ATOM 0 HB3 SER A 313 28.761 1.858 -4.996 1.00 0.00 H new ATOM 0 HG SER A 313 30.657 2.426 -6.205 1.00 0.00 H new ATOM 34 N ILE A 314 30.807 1.865 -1.163 1.00 0.00 N ATOM 35 CA ILE A 314 31.993 1.724 -0.325 1.00 0.00 C ATOM 36 C ILE A 314 32.547 0.307 -0.384 1.00 0.00 C ATOM 37 O ILE A 314 31.842 -0.635 -0.743 1.00 0.00 O ATOM 38 CB ILE A 314 31.708 2.068 1.152 1.00 0.00 C ATOM 39 CG1 ILE A 314 30.577 3.090 1.271 1.00 0.00 C ATOM 40 CG2 ILE A 314 32.968 2.588 1.825 1.00 0.00 C ATOM 41 CD1 ILE A 314 30.914 4.438 0.671 1.00 0.00 C ATOM 0 H ILE A 314 29.960 1.456 -0.768 1.00 0.00 H new ATOM 0 HA ILE A 314 32.724 2.429 -0.722 1.00 0.00 H new ATOM 0 HB ILE A 314 31.391 1.156 1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 314 29.688 2.695 0.780 1.00 0.00 H new ATOM 0 HG13 ILE A 314 30.327 3.222 2.324 1.00 0.00 H new ATOM 0 HG21 ILE A 314 32.752 2.827 2.866 1.00 0.00 H new ATOM 0 HG22 ILE A 314 33.745 1.825 1.781 1.00 0.00 H new ATOM 0 HG23 ILE A 314 33.311 3.486 1.311 1.00 0.00 H new ATOM 0 HD11 ILE A 314 30.066 5.112 0.792 1.00 0.00 H new ATOM 0 HD12 ILE A 314 31.784 4.855 1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 314 31.135 4.319 -0.390 1.00 0.00 H new ATOM 53 N ARG A 315 33.813 0.168 -0.012 1.00 0.00 N ATOM 54 CA ARG A 315 34.469 -1.131 -0.002 1.00 0.00 C ATOM 55 C ARG A 315 35.262 -1.307 1.287 1.00 0.00 C ATOM 56 O ARG A 315 36.479 -1.124 1.312 1.00 0.00 O ATOM 57 CB ARG A 315 35.392 -1.275 -1.212 1.00 0.00 C ATOM 58 CG ARG A 315 34.721 -1.920 -2.415 1.00 0.00 C ATOM 59 CD ARG A 315 34.733 -3.437 -2.314 1.00 0.00 C ATOM 60 NE ARG A 315 33.403 -3.977 -2.043 1.00 0.00 N ATOM 61 CZ ARG A 315 33.067 -5.252 -2.232 1.00 0.00 C ATOM 62 NH1 ARG A 315 33.960 -6.120 -2.693 1.00 0.00 N ATOM 63 NH2 ARG A 315 31.836 -5.660 -1.958 1.00 0.00 N ATOM 0 H ARG A 315 34.406 0.942 0.287 1.00 0.00 H new ATOM 0 HA ARG A 315 33.705 -1.906 -0.056 1.00 0.00 H new ATOM 0 HB2 ARG A 315 35.761 -0.290 -1.497 1.00 0.00 H new ATOM 0 HB3 ARG A 315 36.260 -1.870 -0.928 1.00 0.00 H new ATOM 0 HG2 ARG A 315 33.692 -1.568 -2.491 1.00 0.00 H new ATOM 0 HG3 ARG A 315 35.232 -1.611 -3.327 1.00 0.00 H new ATOM 0 HD2 ARG A 315 35.113 -3.859 -3.244 1.00 0.00 H new ATOM 0 HD3 ARG A 315 35.417 -3.742 -1.522 1.00 0.00 H new ATOM 0 HE ARG A 315 32.690 -3.340 -1.688 1.00 0.00 H new ATOM 0 HH11 ARG A 315 34.909 -5.812 -2.904 1.00 0.00 H new ATOM 0 HH12 ARG A 315 33.697 -7.095 -2.836 1.00 0.00 H new ATOM 0 HH21 ARG A 315 31.146 -4.998 -1.603 1.00 0.00 H new ATOM 0 HH22 ARG A 315 31.578 -6.636 -2.103 1.00 0.00 H new ATOM 77 N ILE A 316 34.559 -1.655 2.360 1.00 0.00 N ATOM 78 CA ILE A 316 35.192 -1.847 3.659 1.00 0.00 C ATOM 79 C ILE A 316 35.175 -3.313 4.076 1.00 0.00 C ATOM 80 O ILE A 316 34.145 -3.981 3.993 1.00 0.00 O ATOM 81 CB ILE A 316 34.511 -1.003 4.754 1.00 0.00 C ATOM 82 CG1 ILE A 316 33.005 -0.903 4.504 1.00 0.00 C ATOM 83 CG2 ILE A 316 35.133 0.384 4.814 1.00 0.00 C ATOM 84 CD1 ILE A 316 32.278 -0.101 5.558 1.00 0.00 C ATOM 0 H ILE A 316 33.551 -1.810 2.355 1.00 0.00 H new ATOM 0 HA ILE A 316 36.226 -1.518 3.551 1.00 0.00 H new ATOM 0 HB ILE A 316 34.665 -1.497 5.714 1.00 0.00 H new ATOM 0 HG12 ILE A 316 32.835 -0.447 3.529 1.00 0.00 H new ATOM 0 HG13 ILE A 316 32.582 -1.907 4.465 1.00 0.00 H new ATOM 0 HG21 ILE A 316 34.642 0.969 5.592 1.00 0.00 H new ATOM 0 HG22 ILE A 316 36.195 0.297 5.041 1.00 0.00 H new ATOM 0 HG23 ILE A 316 35.007 0.881 3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 316 31.214 -0.069 5.321 1.00 0.00 H new ATOM 0 HD12 ILE A 316 32.419 -0.568 6.533 1.00 0.00 H new ATOM 0 HD13 ILE A 316 32.675 0.914 5.581 1.00 0.00 H new ATOM 96 N GLN A 317 36.324 -3.804 4.526 1.00 0.00 N ATOM 97 CA GLN A 317 36.449 -5.191 4.961 1.00 0.00 C ATOM 98 C GLN A 317 37.509 -5.321 6.051 1.00 0.00 C ATOM 99 O GLN A 317 38.617 -4.804 5.915 1.00 0.00 O ATOM 100 CB GLN A 317 36.807 -6.089 3.776 1.00 0.00 C ATOM 101 CG GLN A 317 38.085 -5.675 3.065 1.00 0.00 C ATOM 102 CD GLN A 317 37.824 -5.080 1.694 1.00 0.00 C ATOM 103 OE1 GLN A 317 37.620 -5.802 0.719 1.00 0.00 O ATOM 104 NE2 GLN A 317 37.831 -3.754 1.615 1.00 0.00 N ATOM 0 H GLN A 317 37.184 -3.261 4.599 1.00 0.00 H new ATOM 0 HA GLN A 317 35.489 -5.508 5.369 1.00 0.00 H new ATOM 0 HB2 GLN A 317 36.912 -7.115 4.127 1.00 0.00 H new ATOM 0 HB3 GLN A 317 35.984 -6.079 3.062 1.00 0.00 H new ATOM 0 HG2 GLN A 317 38.618 -4.947 3.677 1.00 0.00 H new ATOM 0 HG3 GLN A 317 38.737 -6.543 2.962 1.00 0.00 H new ATOM 0 HE21 GLN A 317 38.005 -3.194 2.450 1.00 0.00 H new ATOM 0 HE22 GLN A 317 37.663 -3.296 0.720 1.00 0.00 H new ATOM 113 N ARG A 318 37.160 -6.013 7.130 1.00 0.00 N ATOM 114 CA ARG A 318 38.083 -6.208 8.242 1.00 0.00 C ATOM 115 C ARG A 318 38.872 -7.502 8.076 1.00 0.00 C ATOM 116 O ARG A 318 38.367 -8.485 7.532 1.00 0.00 O ATOM 117 CB ARG A 318 37.320 -6.227 9.566 1.00 0.00 C ATOM 118 CG ARG A 318 36.803 -4.860 9.989 1.00 0.00 C ATOM 119 CD ARG A 318 36.038 -4.933 11.301 1.00 0.00 C ATOM 120 NE ARG A 318 34.595 -4.816 11.100 1.00 0.00 N ATOM 121 CZ ARG A 318 33.736 -4.490 12.064 1.00 0.00 C ATOM 122 NH1 ARG A 318 34.169 -4.249 13.295 1.00 0.00 N ATOM 123 NH2 ARG A 318 32.440 -4.405 11.794 1.00 0.00 N ATOM 0 H ARG A 318 36.246 -6.448 7.258 1.00 0.00 H new ATOM 0 HA ARG A 318 38.787 -5.375 8.248 1.00 0.00 H new ATOM 0 HB2 ARG A 318 36.478 -6.914 9.481 1.00 0.00 H new ATOM 0 HB3 ARG A 318 37.973 -6.617 10.347 1.00 0.00 H new ATOM 0 HG2 ARG A 318 37.640 -4.170 10.093 1.00 0.00 H new ATOM 0 HG3 ARG A 318 36.154 -4.459 9.210 1.00 0.00 H new ATOM 0 HD2 ARG A 318 36.260 -5.878 11.798 1.00 0.00 H new ATOM 0 HD3 ARG A 318 36.378 -4.137 11.964 1.00 0.00 H new ATOM 0 HE ARG A 318 34.224 -4.995 10.167 1.00 0.00 H new ATOM 0 HH11 ARG A 318 35.165 -4.313 13.507 1.00 0.00 H new ATOM 0 HH12 ARG A 318 33.506 -4.000 14.029 1.00 0.00 H new ATOM 0 HH21 ARG A 318 32.103 -4.589 10.849 1.00 0.00 H new ATOM 0 HH22 ARG A 318 31.781 -4.155 12.531 1.00 0.00 H new ATOM 137 N GLY A 319 40.115 -7.493 8.547 1.00 0.00 N ATOM 138 CA GLY A 319 40.957 -8.670 8.442 1.00 0.00 C ATOM 139 C GLY A 319 42.417 -8.319 8.217 1.00 0.00 C ATOM 140 O GLY A 319 42.728 -7.216 7.771 1.00 0.00 O ATOM 0 H GLY A 319 40.554 -6.691 9.000 1.00 0.00 H new ATOM 0 HA2 GLY A 319 40.865 -9.262 9.353 1.00 0.00 H new ATOM 0 HA3 GLY A 319 40.605 -9.293 7.620 1.00 0.00 H new ATOM 144 N PRO A 320 43.343 -9.246 8.519 1.00 0.00 N ATOM 145 CA PRO A 320 44.779 -9.014 8.342 1.00 0.00 C ATOM 146 C PRO A 320 45.117 -8.525 6.936 1.00 0.00 C ATOM 147 O PRO A 320 45.010 -9.274 5.965 1.00 0.00 O ATOM 148 CB PRO A 320 45.397 -10.391 8.591 1.00 0.00 C ATOM 149 CG PRO A 320 44.417 -11.093 9.467 1.00 0.00 C ATOM 150 CD PRO A 320 43.060 -10.591 9.055 1.00 0.00 C ATOM 0 HA PRO A 320 45.151 -8.239 9.012 1.00 0.00 H new ATOM 0 HB2 PRO A 320 45.551 -10.931 7.657 1.00 0.00 H new ATOM 0 HB3 PRO A 320 46.370 -10.307 9.074 1.00 0.00 H new ATOM 0 HG2 PRO A 320 44.487 -12.174 9.344 1.00 0.00 H new ATOM 0 HG3 PRO A 320 44.610 -10.879 10.518 1.00 0.00 H new ATOM 0 HD2 PRO A 320 42.604 -11.236 8.304 1.00 0.00 H new ATOM 0 HD3 PRO A 320 42.373 -10.551 9.900 1.00 0.00 H new ATOM 158 N GLY A 321 45.527 -7.265 6.837 1.00 0.00 N ATOM 159 CA GLY A 321 45.875 -6.697 5.547 1.00 0.00 C ATOM 160 C GLY A 321 44.657 -6.269 4.754 1.00 0.00 C ATOM 161 O GLY A 321 44.621 -6.413 3.531 1.00 0.00 O ATOM 0 H GLY A 321 45.625 -6.627 7.627 1.00 0.00 H new ATOM 0 HA2 GLY A 321 46.528 -5.837 5.696 1.00 0.00 H new ATOM 0 HA3 GLY A 321 46.440 -7.430 4.971 1.00 0.00 H new ATOM 165 N ARG A 322 43.654 -5.742 5.448 1.00 0.00 N ATOM 166 CA ARG A 322 42.427 -5.291 4.801 1.00 0.00 C ATOM 167 C ARG A 322 42.254 -3.784 4.952 1.00 0.00 C ATOM 168 O ARG A 322 41.996 -3.285 6.048 1.00 0.00 O ATOM 169 CB ARG A 322 41.218 -6.018 5.392 1.00 0.00 C ATOM 170 CG ARG A 322 41.344 -7.532 5.362 1.00 0.00 C ATOM 171 CD ARG A 322 41.035 -8.091 3.982 1.00 0.00 C ATOM 172 NE ARG A 322 41.717 -9.359 3.739 1.00 0.00 N ATOM 173 CZ ARG A 322 41.360 -10.224 2.792 1.00 0.00 C ATOM 174 NH1 ARG A 322 40.328 -9.960 1.999 1.00 0.00 N ATOM 175 NH2 ARG A 322 42.035 -11.354 2.638 1.00 0.00 N ATOM 0 H ARG A 322 43.667 -5.616 6.460 1.00 0.00 H new ATOM 0 HA ARG A 322 42.499 -5.524 3.739 1.00 0.00 H new ATOM 0 HB2 ARG A 322 41.078 -5.694 6.423 1.00 0.00 H new ATOM 0 HB3 ARG A 322 40.324 -5.725 4.842 1.00 0.00 H new ATOM 0 HG2 ARG A 322 42.354 -7.820 5.654 1.00 0.00 H new ATOM 0 HG3 ARG A 322 40.664 -7.969 6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 322 39.959 -8.233 3.881 1.00 0.00 H new ATOM 0 HD3 ARG A 322 41.333 -7.368 3.223 1.00 0.00 H new ATOM 0 HE ARG A 322 42.514 -9.596 4.330 1.00 0.00 H new ATOM 0 HH11 ARG A 322 39.805 -9.092 2.114 1.00 0.00 H new ATOM 0 HH12 ARG A 322 40.058 -10.626 1.275 1.00 0.00 H new ATOM 0 HH21 ARG A 322 42.828 -11.561 3.245 1.00 0.00 H new ATOM 0 HH22 ARG A 322 41.761 -12.017 1.912 1.00 0.00 H new ATOM 189 N ALA A 323 42.398 -3.062 3.846 1.00 0.00 N ATOM 190 CA ALA A 323 42.259 -1.611 3.856 1.00 0.00 C ATOM 191 C ALA A 323 40.815 -1.197 3.594 1.00 0.00 C ATOM 192 O ALA A 323 40.001 -1.999 3.138 1.00 0.00 O ATOM 193 CB ALA A 323 43.186 -0.983 2.827 1.00 0.00 C ATOM 0 H ALA A 323 42.611 -3.459 2.931 1.00 0.00 H new ATOM 0 HA ALA A 323 42.539 -1.251 4.846 1.00 0.00 H new ATOM 0 HB1 ALA A 323 43.071 0.101 2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 323 44.218 -1.242 3.061 1.00 0.00 H new ATOM 0 HB3 ALA A 323 42.934 -1.357 1.834 1.00 0.00 H new ATOM 199 N PHE A 324 40.505 0.063 3.884 1.00 0.00 N ATOM 200 CA PHE A 324 39.159 0.585 3.681 1.00 0.00 C ATOM 201 C PHE A 324 39.129 1.589 2.534 1.00 0.00 C ATOM 202 O PHE A 324 39.660 2.694 2.650 1.00 0.00 O ATOM 203 CB PHE A 324 38.646 1.241 4.963 1.00 0.00 C ATOM 204 CG PHE A 324 38.550 0.293 6.125 1.00 0.00 C ATOM 205 CD1 PHE A 324 37.999 -0.968 5.964 1.00 0.00 C ATOM 206 CD2 PHE A 324 39.013 0.664 7.378 1.00 0.00 C ATOM 207 CE1 PHE A 324 37.911 -1.841 7.031 1.00 0.00 C ATOM 208 CE2 PHE A 324 38.928 -0.206 8.448 1.00 0.00 C ATOM 209 CZ PHE A 324 38.376 -1.460 8.275 1.00 0.00 C ATOM 0 H PHE A 324 41.168 0.741 4.260 1.00 0.00 H new ATOM 0 HA PHE A 324 38.508 -0.251 3.423 1.00 0.00 H new ATOM 0 HB2 PHE A 324 39.308 2.065 5.230 1.00 0.00 H new ATOM 0 HB3 PHE A 324 37.663 1.671 4.773 1.00 0.00 H new ATOM 0 HD1 PHE A 324 37.634 -1.272 4.994 1.00 0.00 H new ATOM 0 HD2 PHE A 324 39.445 1.644 7.519 1.00 0.00 H new ATOM 0 HE1 PHE A 324 37.479 -2.821 6.893 1.00 0.00 H new ATOM 0 HE2 PHE A 324 39.293 0.094 9.419 1.00 0.00 H new ATOM 0 HZ PHE A 324 38.308 -2.141 9.110 1.00 0.00 H new ATOM 219 N VAL A 325 38.504 1.199 1.429 1.00 0.00 N ATOM 220 CA VAL A 325 38.404 2.065 0.261 1.00 0.00 C ATOM 221 C VAL A 325 36.959 2.485 0.012 1.00 0.00 C ATOM 222 O VAL A 325 36.031 1.926 0.596 1.00 0.00 O ATOM 223 CB VAL A 325 38.947 1.373 -1.003 1.00 0.00 C ATOM 224 CG1 VAL A 325 40.468 1.376 -1.004 1.00 0.00 C ATOM 225 CG2 VAL A 325 38.409 -0.047 -1.110 1.00 0.00 C ATOM 0 H VAL A 325 38.059 0.288 1.318 1.00 0.00 H new ATOM 0 HA VAL A 325 39.008 2.947 0.471 1.00 0.00 H new ATOM 0 HB VAL A 325 38.606 1.932 -1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 325 40.832 0.883 -1.905 1.00 0.00 H new ATOM 0 HG12 VAL A 325 40.830 2.404 -0.982 1.00 0.00 H new ATOM 0 HG13 VAL A 325 40.833 0.844 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 325 38.804 -0.519 -2.010 1.00 0.00 H new ATOM 0 HG22 VAL A 325 38.716 -0.619 -0.235 1.00 0.00 H new ATOM 0 HG23 VAL A 325 37.321 -0.021 -1.162 1.00 0.00 H new ATOM 235 N THR A 326 36.776 3.471 -0.859 1.00 0.00 N ATOM 236 CA THR A 326 35.446 3.964 -1.186 1.00 0.00 C ATOM 237 C THR A 326 35.397 4.493 -2.614 1.00 0.00 C ATOM 238 O THR A 326 36.425 4.844 -3.193 1.00 0.00 O ATOM 239 CB THR A 326 35.031 5.064 -0.206 1.00 0.00 C ATOM 240 OG1 THR A 326 33.852 5.712 -0.650 1.00 0.00 O ATOM 241 CG2 THR A 326 36.093 6.125 -0.011 1.00 0.00 C ATOM 0 H THR A 326 37.534 3.944 -1.351 1.00 0.00 H new ATOM 0 HA THR A 326 34.747 3.132 -1.103 1.00 0.00 H new ATOM 0 HB THR A 326 34.869 4.557 0.745 1.00 0.00 H new ATOM 0 HG1 THR A 326 33.602 6.410 -0.010 1.00 0.00 H new ATOM 0 HG21 THR A 326 35.734 6.874 0.695 1.00 0.00 H new ATOM 0 HG22 THR A 326 37.001 5.664 0.379 1.00 0.00 H new ATOM 0 HG23 THR A 326 36.310 6.602 -0.967 1.00 0.00 H new ATOM 249 N ILE A 327 34.195 4.546 -3.179 1.00 0.00 N ATOM 250 CA ILE A 327 34.009 5.032 -4.541 1.00 0.00 C ATOM 251 C ILE A 327 32.766 5.908 -4.646 1.00 0.00 C ATOM 252 O ILE A 327 31.727 5.606 -4.056 1.00 0.00 O ATOM 253 CB ILE A 327 33.887 3.867 -5.542 1.00 0.00 C ATOM 254 CG1 ILE A 327 35.006 2.847 -5.314 1.00 0.00 C ATOM 255 CG2 ILE A 327 33.920 4.390 -6.970 1.00 0.00 C ATOM 256 CD1 ILE A 327 34.570 1.641 -4.511 1.00 0.00 C ATOM 0 H ILE A 327 33.334 4.258 -2.714 1.00 0.00 H new ATOM 0 HA ILE A 327 34.890 5.623 -4.789 1.00 0.00 H new ATOM 0 HB ILE A 327 32.931 3.368 -5.381 1.00 0.00 H new ATOM 0 HG12 ILE A 327 35.384 2.513 -6.280 1.00 0.00 H new ATOM 0 HG13 ILE A 327 35.833 3.336 -4.800 1.00 0.00 H new ATOM 0 HG21 ILE A 327 33.833 3.555 -7.665 1.00 0.00 H new ATOM 0 HG22 ILE A 327 33.090 5.079 -7.124 1.00 0.00 H new ATOM 0 HG23 ILE A 327 34.861 4.911 -7.145 1.00 0.00 H new ATOM 0 HD11 ILE A 327 35.413 0.961 -4.389 1.00 0.00 H new ATOM 0 HD12 ILE A 327 34.219 1.964 -3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 327 33.763 1.128 -5.034 1.00 0.00 H new ATOM 268 N GLY A 328 32.878 6.997 -5.401 1.00 0.00 N ATOM 269 CA GLY A 328 31.756 7.901 -5.569 1.00 0.00 C ATOM 270 C GLY A 328 31.364 8.074 -7.023 1.00 0.00 C ATOM 271 O GLY A 328 32.039 7.570 -7.920 1.00 0.00 O ATOM 0 H GLY A 328 33.726 7.269 -5.899 1.00 0.00 H new ATOM 0 HA2 GLY A 328 30.901 7.523 -5.008 1.00 0.00 H new ATOM 0 HA3 GLY A 328 32.010 8.873 -5.146 1.00 0.00 H new