USER MOD reduce.3.24.130724 H: found=0, std=0, add=143, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 143 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 337 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 338 SER OG : rot 65:sc= 0.0223 USER MOD Single : A 339 TYR OH : rot -50:sc= 0.0715 USER MOD Single : A 340 MET CE :methyl 171:sc= 0 (180deg=-0.151) USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot -36:sc= 0.653 USER MOD Single : A 349 HIS : no HD1:sc= -4.56 K(o=-4.6,f=-3.8) USER MOD Single : A 351 SER OG : rot 47:sc= 0.547 USER MOD Single : A 354 MET CE :methyl -159:sc= -0.119 (180deg=-1.09) USER MOD ----------------------------------------------------------------- ATOM 7 N LYS A 337 36.264 9.398 -6.333 1.00 0.00 N ATOM 8 CA LYS A 337 36.078 9.025 -4.936 1.00 0.00 C ATOM 9 C LYS A 337 34.606 9.119 -4.536 1.00 0.00 C ATOM 10 O LYS A 337 34.283 9.242 -3.355 1.00 0.00 O ATOM 11 CB LYS A 337 36.928 9.933 -4.034 1.00 0.00 C ATOM 12 CG LYS A 337 36.308 11.336 -3.932 1.00 0.00 C ATOM 13 CD LYS A 337 35.997 11.880 -5.328 1.00 0.00 C ATOM 14 CE LYS A 337 35.752 13.387 -5.243 1.00 0.00 C ATOM 15 NZ LYS A 337 34.714 13.778 -6.238 1.00 0.00 N ATOM 0 HA LYS A 337 36.399 7.991 -4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 337 37.009 9.493 -3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 337 37.940 10.006 -4.433 1.00 0.00 H new ATOM 0 HG2 LYS A 337 35.395 11.296 -3.338 1.00 0.00 H new ATOM 0 HG3 LYS A 337 36.994 12.008 -3.417 1.00 0.00 H new ATOM 0 HD2 LYS A 337 36.826 11.673 -6.004 1.00 0.00 H new ATOM 0 HD3 LYS A 337 35.119 11.380 -5.738 1.00 0.00 H new ATOM 0 HE2 LYS A 337 35.428 13.658 -4.238 1.00 0.00 H new ATOM 0 HE3 LYS A 337 36.678 13.928 -5.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 34.547 14.803 -6.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 35.040 13.533 -7.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 33.829 13.271 -6.034 1.00 0.00 H new ATOM 29 N SER A 338 33.718 9.061 -5.529 1.00 0.00 N ATOM 30 CA SER A 338 32.282 9.146 -5.269 1.00 0.00 C ATOM 31 C SER A 338 31.583 7.823 -5.572 1.00 0.00 C ATOM 32 O SER A 338 30.703 7.760 -6.430 1.00 0.00 O ATOM 33 CB SER A 338 31.668 10.252 -6.127 1.00 0.00 C ATOM 34 OG SER A 338 32.110 10.105 -7.470 1.00 0.00 O ATOM 0 H SER A 338 33.966 8.956 -6.513 1.00 0.00 H new ATOM 0 HA SER A 338 32.144 9.373 -4.212 1.00 0.00 H new ATOM 0 HB2 SER A 338 30.580 10.201 -6.082 1.00 0.00 H new ATOM 0 HB3 SER A 338 31.957 11.230 -5.742 1.00 0.00 H new ATOM 0 HG SER A 338 31.759 9.268 -7.840 1.00 0.00 H new ATOM 40 N TYR A 339 31.968 6.770 -4.857 1.00 0.00 N ATOM 41 CA TYR A 339 31.354 5.459 -5.056 1.00 0.00 C ATOM 42 C TYR A 339 32.002 4.408 -4.145 1.00 0.00 C ATOM 43 O TYR A 339 31.788 4.422 -2.933 1.00 0.00 O ATOM 44 CB TYR A 339 31.445 5.050 -6.536 1.00 0.00 C ATOM 45 CG TYR A 339 32.646 5.699 -7.188 1.00 0.00 C ATOM 46 CD1 TYR A 339 33.850 5.839 -6.486 1.00 0.00 C ATOM 47 CD2 TYR A 339 32.545 6.168 -8.503 1.00 0.00 C ATOM 48 CE1 TYR A 339 34.951 6.448 -7.099 1.00 0.00 C ATOM 49 CE2 TYR A 339 33.646 6.777 -9.116 1.00 0.00 C ATOM 50 CZ TYR A 339 34.850 6.917 -8.414 1.00 0.00 C ATOM 51 OH TYR A 339 35.934 7.516 -9.019 1.00 0.00 O ATOM 0 H TYR A 339 32.694 6.796 -4.142 1.00 0.00 H new ATOM 0 HA TYR A 339 30.300 5.522 -4.785 1.00 0.00 H new ATOM 0 HB2 TYR A 339 31.521 3.966 -6.616 1.00 0.00 H new ATOM 0 HB3 TYR A 339 30.535 5.346 -7.058 1.00 0.00 H new ATOM 0 HD1 TYR A 339 33.929 5.477 -5.472 1.00 0.00 H new ATOM 0 HD2 TYR A 339 31.617 6.060 -9.045 1.00 0.00 H new ATOM 0 HE1 TYR A 339 35.879 6.556 -6.557 1.00 0.00 H new ATOM 0 HE2 TYR A 339 33.567 7.139 -10.130 1.00 0.00 H new ATOM 0 HH TYR A 339 36.296 8.210 -8.429 1.00 0.00 H new ATOM 61 N MET A 340 32.791 3.504 -4.721 1.00 0.00 N ATOM 62 CA MET A 340 33.447 2.465 -3.935 1.00 0.00 C ATOM 63 C MET A 340 34.391 3.085 -2.914 1.00 0.00 C ATOM 64 O MET A 340 35.005 2.384 -2.110 1.00 0.00 O ATOM 65 CB MET A 340 34.230 1.531 -4.859 1.00 0.00 C ATOM 66 CG MET A 340 35.301 2.330 -5.604 1.00 0.00 C ATOM 67 SD MET A 340 36.774 2.483 -4.563 1.00 0.00 S ATOM 68 CE MET A 340 37.527 3.876 -5.437 1.00 0.00 C ATOM 0 H MET A 340 32.990 3.470 -5.721 1.00 0.00 H new ATOM 0 HA MET A 340 32.683 1.895 -3.406 1.00 0.00 H new ATOM 0 HB2 MET A 340 34.694 0.733 -4.279 1.00 0.00 H new ATOM 0 HB3 MET A 340 33.555 1.056 -5.571 1.00 0.00 H new ATOM 0 HG2 MET A 340 35.555 1.833 -6.541 1.00 0.00 H new ATOM 0 HG3 MET A 340 34.920 3.318 -5.860 1.00 0.00 H new ATOM 0 HE1 MET A 340 38.379 4.246 -4.866 1.00 0.00 H new ATOM 0 HE2 MET A 340 37.864 3.549 -6.421 1.00 0.00 H new ATOM 0 HE3 MET A 340 36.793 4.674 -5.551 1.00 0.00 H new ATOM 78 N ALA A 341 34.505 4.405 -2.959 1.00 0.00 N ATOM 79 CA ALA A 341 35.379 5.121 -2.043 1.00 0.00 C ATOM 80 C ALA A 341 34.610 5.609 -0.820 1.00 0.00 C ATOM 81 O ALA A 341 35.146 5.648 0.287 1.00 0.00 O ATOM 82 CB ALA A 341 35.990 6.326 -2.756 1.00 0.00 C ATOM 0 H ALA A 341 34.004 5.000 -3.619 1.00 0.00 H new ATOM 0 HA ALA A 341 36.162 4.437 -1.716 1.00 0.00 H new ATOM 0 HB1 ALA A 341 36.645 6.862 -2.069 1.00 0.00 H new ATOM 0 HB2 ALA A 341 36.567 5.986 -3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 341 35.195 6.991 -3.093 1.00 0.00 H new ATOM 88 N TYR A 342 33.360 6.003 -1.034 1.00 0.00 N ATOM 89 CA TYR A 342 32.539 6.512 0.054 1.00 0.00 C ATOM 90 C TYR A 342 31.668 5.416 0.668 1.00 0.00 C ATOM 91 O TYR A 342 31.613 5.279 1.890 1.00 0.00 O ATOM 92 CB TYR A 342 31.662 7.654 -0.462 1.00 0.00 C ATOM 93 CG TYR A 342 30.280 7.131 -0.753 1.00 0.00 C ATOM 94 CD1 TYR A 342 29.324 7.053 0.267 1.00 0.00 C ATOM 95 CD2 TYR A 342 29.954 6.718 -2.050 1.00 0.00 C ATOM 96 CE1 TYR A 342 28.044 6.560 -0.009 1.00 0.00 C ATOM 97 CE2 TYR A 342 28.673 6.224 -2.327 1.00 0.00 C ATOM 98 CZ TYR A 342 27.717 6.145 -1.305 1.00 0.00 C ATOM 99 OH TYR A 342 26.455 5.659 -1.578 1.00 0.00 O ATOM 0 H TYR A 342 32.898 5.980 -1.943 1.00 0.00 H new ATOM 0 HA TYR A 342 33.202 6.879 0.837 1.00 0.00 H new ATOM 0 HB2 TYR A 342 31.612 8.452 0.279 1.00 0.00 H new ATOM 0 HB3 TYR A 342 32.098 8.083 -1.364 1.00 0.00 H new ATOM 0 HD1 TYR A 342 29.575 7.374 1.267 1.00 0.00 H new ATOM 0 HD2 TYR A 342 30.690 6.780 -2.837 1.00 0.00 H new ATOM 0 HE1 TYR A 342 27.308 6.500 0.779 1.00 0.00 H new ATOM 0 HE2 TYR A 342 28.422 5.904 -3.328 1.00 0.00 H new ATOM 0 HH TYR A 342 26.396 5.417 -2.526 1.00 0.00 H new ATOM 109 N LEU A 343 30.979 4.642 -0.171 1.00 0.00 N ATOM 110 CA LEU A 343 30.118 3.584 0.346 1.00 0.00 C ATOM 111 C LEU A 343 30.948 2.530 1.068 1.00 0.00 C ATOM 112 O LEU A 343 30.411 1.692 1.793 1.00 0.00 O ATOM 113 CB LEU A 343 29.299 2.937 -0.781 1.00 0.00 C ATOM 114 CG LEU A 343 30.218 2.172 -1.742 1.00 0.00 C ATOM 115 CD1 LEU A 343 30.186 0.673 -1.417 1.00 0.00 C ATOM 116 CD2 LEU A 343 29.731 2.374 -3.181 1.00 0.00 C ATOM 0 H LEU A 343 30.999 4.725 -1.187 1.00 0.00 H new ATOM 0 HA LEU A 343 29.423 4.032 1.056 1.00 0.00 H new ATOM 0 HB2 LEU A 343 28.560 2.257 -0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 343 28.750 3.705 -1.327 1.00 0.00 H new ATOM 0 HG LEU A 343 31.235 2.548 -1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 343 30.841 0.138 -2.104 1.00 0.00 H new ATOM 0 HD12 LEU A 343 30.527 0.515 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 343 29.167 0.300 -1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 343 30.383 1.831 -3.865 1.00 0.00 H new ATOM 0 HD22 LEU A 343 28.712 1.999 -3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 343 29.751 3.436 -3.426 1.00 0.00 H new ATOM 128 N SER A 344 32.259 2.584 0.871 1.00 0.00 N ATOM 129 CA SER A 344 33.159 1.637 1.515 1.00 0.00 C ATOM 130 C SER A 344 33.631 2.189 2.856 1.00 0.00 C ATOM 131 O SER A 344 34.426 1.558 3.554 1.00 0.00 O ATOM 132 CB SER A 344 34.367 1.368 0.617 1.00 0.00 C ATOM 133 OG SER A 344 35.187 0.373 1.218 1.00 0.00 O ATOM 0 H SER A 344 32.721 3.270 0.274 1.00 0.00 H new ATOM 0 HA SER A 344 32.621 0.704 1.683 1.00 0.00 H new ATOM 0 HB2 SER A 344 34.036 1.037 -0.368 1.00 0.00 H new ATOM 0 HB3 SER A 344 34.937 2.285 0.470 1.00 0.00 H new ATOM 0 HG SER A 344 35.185 0.492 2.191 1.00 0.00 H new ATOM 139 N ALA A 345 33.136 3.375 3.201 1.00 0.00 N ATOM 140 CA ALA A 345 33.509 4.022 4.456 1.00 0.00 C ATOM 141 C ALA A 345 32.279 4.266 5.325 1.00 0.00 C ATOM 142 O ALA A 345 32.345 4.987 6.321 1.00 0.00 O ATOM 143 CB ALA A 345 34.193 5.358 4.162 1.00 0.00 C ATOM 0 H ALA A 345 32.478 3.906 2.631 1.00 0.00 H new ATOM 0 HA ALA A 345 34.193 3.365 4.993 1.00 0.00 H new ATOM 0 HB1 ALA A 345 34.470 5.839 5.100 1.00 0.00 H new ATOM 0 HB2 ALA A 345 35.088 5.185 3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 345 33.509 6.004 3.612 1.00 0.00 H new ATOM 149 N GLU A 346 31.156 3.667 4.941 1.00 0.00 N ATOM 150 CA GLU A 346 29.919 3.834 5.696 1.00 0.00 C ATOM 151 C GLU A 346 29.094 2.553 5.674 1.00 0.00 C ATOM 152 O GLU A 346 27.967 2.539 5.175 1.00 0.00 O ATOM 153 CB GLU A 346 29.099 4.980 5.099 1.00 0.00 C ATOM 154 CG GLU A 346 28.895 4.733 3.605 1.00 0.00 C ATOM 155 CD GLU A 346 27.419 4.866 3.248 1.00 0.00 C ATOM 156 OE1 GLU A 346 26.782 5.766 3.768 1.00 0.00 O ATOM 157 OE2 GLU A 346 26.948 4.066 2.456 1.00 0.00 O ATOM 0 H GLU A 346 31.077 3.067 4.120 1.00 0.00 H new ATOM 0 HA GLU A 346 30.176 4.065 6.730 1.00 0.00 H new ATOM 0 HB2 GLU A 346 28.135 5.052 5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 346 29.612 5.929 5.255 1.00 0.00 H new ATOM 0 HG2 GLU A 346 29.482 5.446 3.027 1.00 0.00 H new ATOM 0 HG3 GLU A 346 29.253 3.738 3.341 1.00 0.00 H new ATOM 164 N LEU A 347 29.657 1.478 6.217 1.00 0.00 N ATOM 165 CA LEU A 347 28.958 0.198 6.252 1.00 0.00 C ATOM 166 C LEU A 347 29.144 -0.481 7.607 1.00 0.00 C ATOM 167 O LEU A 347 28.705 -1.612 7.815 1.00 0.00 O ATOM 168 CB LEU A 347 29.474 -0.714 5.135 1.00 0.00 C ATOM 169 CG LEU A 347 30.991 -0.870 5.257 1.00 0.00 C ATOM 170 CD1 LEU A 347 31.358 -2.353 5.206 1.00 0.00 C ATOM 171 CD2 LEU A 347 31.671 -0.137 4.099 1.00 0.00 C ATOM 0 H LEU A 347 30.587 1.467 6.635 1.00 0.00 H new ATOM 0 HA LEU A 347 27.895 0.383 6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 347 28.992 -1.690 5.197 1.00 0.00 H new ATOM 0 HB3 LEU A 347 29.219 -0.294 4.162 1.00 0.00 H new ATOM 0 HG LEU A 347 31.325 -0.446 6.204 1.00 0.00 H new ATOM 0 HD11 LEU A 347 32.439 -2.464 5.293 1.00 0.00 H new ATOM 0 HD12 LEU A 347 30.872 -2.877 6.029 1.00 0.00 H new ATOM 0 HD13 LEU A 347 31.025 -2.778 4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 347 32.752 -0.247 4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 347 31.336 -0.562 3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 347 31.410 0.921 4.134 1.00 0.00 H new ATOM 183 N PHE A 348 29.799 0.224 8.519 1.00 0.00 N ATOM 184 CA PHE A 348 30.053 -0.299 9.856 1.00 0.00 C ATOM 185 C PHE A 348 29.710 0.755 10.898 1.00 0.00 C ATOM 186 O PHE A 348 29.587 0.459 12.087 1.00 0.00 O ATOM 187 CB PHE A 348 31.528 -0.687 9.990 1.00 0.00 C ATOM 188 CG PHE A 348 32.381 0.562 9.943 1.00 0.00 C ATOM 189 CD1 PHE A 348 32.468 1.304 8.760 1.00 0.00 C ATOM 190 CD2 PHE A 348 33.083 0.976 11.082 1.00 0.00 C ATOM 191 CE1 PHE A 348 33.256 2.461 8.715 1.00 0.00 C ATOM 192 CE2 PHE A 348 33.870 2.133 11.037 1.00 0.00 C ATOM 193 CZ PHE A 348 33.956 2.875 9.853 1.00 0.00 C ATOM 0 H PHE A 348 30.165 1.162 8.358 1.00 0.00 H new ATOM 0 HA PHE A 348 29.431 -1.180 10.016 1.00 0.00 H new ATOM 0 HB2 PHE A 348 31.692 -1.218 10.928 1.00 0.00 H new ATOM 0 HB3 PHE A 348 31.812 -1.365 9.185 1.00 0.00 H new ATOM 0 HD1 PHE A 348 31.927 0.984 7.881 1.00 0.00 H new ATOM 0 HD2 PHE A 348 33.017 0.403 11.995 1.00 0.00 H new ATOM 0 HE1 PHE A 348 33.323 3.033 7.802 1.00 0.00 H new ATOM 0 HE2 PHE A 348 34.411 2.453 11.915 1.00 0.00 H new ATOM 0 HZ PHE A 348 34.563 3.768 9.818 1.00 0.00 H new ATOM 203 N HIS A 349 29.564 1.991 10.437 1.00 0.00 N ATOM 204 CA HIS A 349 29.241 3.100 11.325 1.00 0.00 C ATOM 205 C HIS A 349 27.790 3.017 11.789 1.00 0.00 C ATOM 206 O HIS A 349 27.350 3.813 12.618 1.00 0.00 O ATOM 207 CB HIS A 349 29.481 4.423 10.596 1.00 0.00 C ATOM 208 CG HIS A 349 28.458 4.592 9.506 1.00 0.00 C ATOM 209 ND1 HIS A 349 27.711 5.752 9.366 1.00 0.00 N ATOM 210 CD2 HIS A 349 28.056 3.763 8.488 1.00 0.00 C ATOM 211 CE1 HIS A 349 26.906 5.591 8.300 1.00 0.00 C ATOM 212 NE2 HIS A 349 27.075 4.395 7.729 1.00 0.00 N ATOM 0 H HIS A 349 29.664 2.250 9.456 1.00 0.00 H new ATOM 0 HA HIS A 349 29.884 3.044 12.203 1.00 0.00 H new ATOM 0 HB2 HIS A 349 29.419 5.254 11.299 1.00 0.00 H new ATOM 0 HB3 HIS A 349 30.485 4.439 10.172 1.00 0.00 H new ATOM 0 HD2 HIS A 349 28.442 2.771 8.304 1.00 0.00 H new ATOM 0 HE1 HIS A 349 26.209 6.337 7.949 1.00 0.00 H new ATOM 0 HE2 HIS A 349 26.589 4.024 6.912 1.00 0.00 H new ATOM 220 N LEU A 350 27.055 2.048 11.251 1.00 0.00 N ATOM 221 CA LEU A 350 25.655 1.870 11.622 1.00 0.00 C ATOM 222 C LEU A 350 25.347 0.391 11.839 1.00 0.00 C ATOM 223 O LEU A 350 24.420 -0.153 11.239 1.00 0.00 O ATOM 224 CB LEU A 350 24.747 2.427 10.523 1.00 0.00 C ATOM 225 CG LEU A 350 24.930 3.946 10.419 1.00 0.00 C ATOM 226 CD1 LEU A 350 24.143 4.472 9.219 1.00 0.00 C ATOM 227 CD2 LEU A 350 24.423 4.630 11.696 1.00 0.00 C ATOM 0 H LEU A 350 27.402 1.380 10.563 1.00 0.00 H new ATOM 0 HA LEU A 350 25.471 2.410 12.551 1.00 0.00 H new ATOM 0 HB2 LEU A 350 24.985 1.957 9.569 1.00 0.00 H new ATOM 0 HB3 LEU A 350 23.706 2.191 10.744 1.00 0.00 H new ATOM 0 HG LEU A 350 25.990 4.167 10.293 1.00 0.00 H new ATOM 0 HD11 LEU A 350 24.272 5.552 9.144 1.00 0.00 H new ATOM 0 HD12 LEU A 350 24.509 3.999 8.308 1.00 0.00 H new ATOM 0 HD13 LEU A 350 23.086 4.241 9.348 1.00 0.00 H new ATOM 0 HD21 LEU A 350 24.558 5.708 11.610 1.00 0.00 H new ATOM 0 HD22 LEU A 350 23.365 4.407 11.833 1.00 0.00 H new ATOM 0 HD23 LEU A 350 24.985 4.261 12.554 1.00 0.00 H new ATOM 239 N SER A 351 26.130 -0.251 12.699 1.00 0.00 N ATOM 240 CA SER A 351 25.932 -1.667 12.986 1.00 0.00 C ATOM 241 C SER A 351 24.490 -1.929 13.410 1.00 0.00 C ATOM 242 O SER A 351 24.109 -1.661 14.550 1.00 0.00 O ATOM 243 CB SER A 351 26.885 -2.114 14.095 1.00 0.00 C ATOM 244 OG SER A 351 26.758 -1.237 15.205 1.00 0.00 O ATOM 0 H SER A 351 26.902 0.182 13.206 1.00 0.00 H new ATOM 0 HA SER A 351 26.141 -2.236 12.080 1.00 0.00 H new ATOM 0 HB2 SER A 351 26.656 -3.136 14.397 1.00 0.00 H new ATOM 0 HB3 SER A 351 27.912 -2.111 13.730 1.00 0.00 H new ATOM 0 HG SER A 351 25.809 -1.103 15.409 1.00 0.00 H new ATOM 250 N GLY A 352 23.695 -2.449 12.483 1.00 0.00 N ATOM 251 CA GLY A 352 22.294 -2.738 12.764 1.00 0.00 C ATOM 252 C GLY A 352 21.435 -2.351 11.570 1.00 0.00 C ATOM 253 O GLY A 352 20.508 -3.067 11.197 1.00 0.00 O ATOM 0 H GLY A 352 23.994 -2.678 11.535 1.00 0.00 H new ATOM 0 HA2 GLY A 352 22.170 -3.798 12.984 1.00 0.00 H new ATOM 0 HA3 GLY A 352 21.971 -2.189 13.648 1.00 0.00 H new ATOM 257 N ILE A 353 21.766 -1.215 10.970 1.00 0.00 N ATOM 258 CA ILE A 353 21.040 -0.732 9.805 1.00 0.00 C ATOM 259 C ILE A 353 21.782 -1.122 8.531 1.00 0.00 C ATOM 260 O ILE A 353 21.172 -1.494 7.529 1.00 0.00 O ATOM 261 CB ILE A 353 20.910 0.791 9.869 1.00 0.00 C ATOM 262 CG1 ILE A 353 20.432 1.213 11.265 1.00 0.00 C ATOM 263 CG2 ILE A 353 19.906 1.262 8.818 1.00 0.00 C ATOM 264 CD1 ILE A 353 19.198 0.400 11.665 1.00 0.00 C ATOM 0 H ILE A 353 22.532 -0.612 11.271 1.00 0.00 H new ATOM 0 HA ILE A 353 20.047 -1.182 9.797 1.00 0.00 H new ATOM 0 HB ILE A 353 21.881 1.244 9.671 1.00 0.00 H new ATOM 0 HG12 ILE A 353 21.229 1.061 11.993 1.00 0.00 H new ATOM 0 HG13 ILE A 353 20.194 2.277 11.271 1.00 0.00 H new ATOM 0 HG21 ILE A 353 19.813 2.347 8.864 1.00 0.00 H new ATOM 0 HG22 ILE A 353 20.252 0.969 7.827 1.00 0.00 H new ATOM 0 HG23 ILE A 353 18.935 0.807 9.013 1.00 0.00 H new ATOM 0 HD11 ILE A 353 18.866 0.707 12.657 1.00 0.00 H new ATOM 0 HD12 ILE A 353 18.398 0.574 10.945 1.00 0.00 H new ATOM 0 HD13 ILE A 353 19.450 -0.660 11.678 1.00 0.00 H new ATOM 276 N MET A 354 23.105 -1.024 8.588 1.00 0.00 N ATOM 277 CA MET A 354 23.954 -1.350 7.450 1.00 0.00 C ATOM 278 C MET A 354 23.963 -2.849 7.180 1.00 0.00 C ATOM 279 O MET A 354 24.201 -3.287 6.054 1.00 0.00 O ATOM 280 CB MET A 354 25.383 -0.877 7.719 1.00 0.00 C ATOM 281 CG MET A 354 25.935 -1.603 8.947 1.00 0.00 C ATOM 282 SD MET A 354 26.614 -3.204 8.445 1.00 0.00 S ATOM 283 CE MET A 354 27.340 -3.659 10.038 1.00 0.00 C ATOM 0 H MET A 354 23.615 -0.719 9.417 1.00 0.00 H new ATOM 0 HA MET A 354 23.552 -0.843 6.573 1.00 0.00 H new ATOM 0 HB2 MET A 354 26.013 -1.075 6.852 1.00 0.00 H new ATOM 0 HB3 MET A 354 25.397 0.200 7.883 1.00 0.00 H new ATOM 0 HG2 MET A 354 26.709 -1.000 9.422 1.00 0.00 H new ATOM 0 HG3 MET A 354 25.145 -1.746 9.684 1.00 0.00 H new ATOM 0 HE1 MET A 354 28.114 -4.411 9.884 1.00 0.00 H new ATOM 0 HE2 MET A 354 27.779 -2.776 10.503 1.00 0.00 H new ATOM 0 HE3 MET A 354 26.565 -4.065 10.688 1.00 0.00 H new