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+ 151:sc= -0.167 (180deg=-0.828) USER MOD Single : A 338 SER OG : rot 61:sc= 0.0125 USER MOD Single : A 339 TYR OH : rot -50:sc= 0.106 USER MOD Single : A 340 MET CE :methyl 148:sc= -0.772 (180deg=-3.47!) USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot -34:sc= 0.478 USER MOD Single : A 349 HIS : no HD1:sc= -3.68! C(o=-3.7!,f=-4.3!) USER MOD Single : A 351 SER OG : rot 180:sc= 0 USER MOD Single : A 354 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 7 N LYS A 337 36.402 9.542 -6.110 1.00 0.00 N ATOM 8 CA LYS A 337 36.132 9.192 -4.719 1.00 0.00 C ATOM 9 C LYS A 337 34.634 9.247 -4.419 1.00 0.00 C ATOM 10 O LYS A 337 34.232 9.406 -3.266 1.00 0.00 O ATOM 11 CB LYS A 337 36.893 10.141 -3.781 1.00 0.00 C ATOM 12 CG LYS A 337 36.245 11.535 -3.765 1.00 0.00 C ATOM 13 CD LYS A 337 36.060 12.049 -5.195 1.00 0.00 C ATOM 14 CE LYS A 337 35.818 13.559 -5.164 1.00 0.00 C ATOM 15 NZ LYS A 337 37.056 14.250 -4.703 1.00 0.00 N ATOM 0 HA LYS A 337 36.474 8.171 -4.552 1.00 0.00 H new ATOM 0 HB2 LYS A 337 36.904 9.729 -2.772 1.00 0.00 H new ATOM 0 HB3 LYS A 337 37.931 10.222 -4.103 1.00 0.00 H new ATOM 0 HG2 LYS A 337 35.280 11.490 -3.260 1.00 0.00 H new ATOM 0 HG3 LYS A 337 36.869 12.227 -3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 337 36.944 11.823 -5.792 1.00 0.00 H new ATOM 0 HD3 LYS A 337 35.218 11.544 -5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 337 35.538 13.914 -6.156 1.00 0.00 H new ATOM 0 HE3 LYS A 337 34.988 13.792 -4.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 37.099 15.201 -5.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 37.045 14.327 -3.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 37.890 13.704 -5.000 1.00 0.00 H new ATOM 29 N SER A 338 33.814 9.110 -5.461 1.00 0.00 N ATOM 30 CA SER A 338 32.362 9.149 -5.296 1.00 0.00 C ATOM 31 C SER A 338 31.731 7.808 -5.664 1.00 0.00 C ATOM 32 O SER A 338 30.929 7.725 -6.593 1.00 0.00 O ATOM 33 CB SER A 338 31.770 10.247 -6.179 1.00 0.00 C ATOM 34 OG SER A 338 32.335 10.160 -7.479 1.00 0.00 O ATOM 0 H SER A 338 34.128 8.972 -6.422 1.00 0.00 H new ATOM 0 HA SER A 338 32.145 9.359 -4.249 1.00 0.00 H new ATOM 0 HB2 SER A 338 30.686 10.141 -6.233 1.00 0.00 H new ATOM 0 HB3 SER A 338 31.973 11.227 -5.746 1.00 0.00 H new ATOM 0 HG SER A 338 32.123 9.287 -7.870 1.00 0.00 H new ATOM 40 N TYR A 339 32.090 6.762 -4.925 1.00 0.00 N ATOM 41 CA TYR A 339 31.542 5.433 -5.181 1.00 0.00 C ATOM 42 C TYR A 339 32.167 4.396 -4.237 1.00 0.00 C ATOM 43 O TYR A 339 31.887 4.401 -3.039 1.00 0.00 O ATOM 44 CB TYR A 339 31.753 5.047 -6.657 1.00 0.00 C ATOM 45 CG TYR A 339 32.982 5.737 -7.212 1.00 0.00 C ATOM 46 CD1 TYR A 339 34.118 5.925 -6.416 1.00 0.00 C ATOM 47 CD2 TYR A 339 32.970 6.197 -8.535 1.00 0.00 C ATOM 48 CE1 TYR A 339 35.242 6.574 -6.942 1.00 0.00 C ATOM 49 CE2 TYR A 339 34.094 6.845 -9.060 1.00 0.00 C ATOM 50 CZ TYR A 339 35.230 7.033 -8.264 1.00 0.00 C ATOM 51 OH TYR A 339 36.338 7.671 -8.783 1.00 0.00 O ATOM 0 H TYR A 339 32.752 6.807 -4.150 1.00 0.00 H new ATOM 0 HA TYR A 339 30.470 5.452 -4.985 1.00 0.00 H new ATOM 0 HB2 TYR A 339 31.864 3.966 -6.745 1.00 0.00 H new ATOM 0 HB3 TYR A 339 30.876 5.326 -7.242 1.00 0.00 H new ATOM 0 HD1 TYR A 339 34.128 5.570 -5.396 1.00 0.00 H new ATOM 0 HD2 TYR A 339 32.094 6.052 -9.150 1.00 0.00 H new ATOM 0 HE1 TYR A 339 36.118 6.720 -6.327 1.00 0.00 H new ATOM 0 HE2 TYR A 339 34.085 7.200 -10.080 1.00 0.00 H new ATOM 0 HH TYR A 339 36.629 8.375 -8.166 1.00 0.00 H new ATOM 61 N MET A 340 33.013 3.516 -4.771 1.00 0.00 N ATOM 62 CA MET A 340 33.655 2.494 -3.952 1.00 0.00 C ATOM 63 C MET A 340 34.513 3.136 -2.871 1.00 0.00 C ATOM 64 O MET A 340 35.101 2.449 -2.036 1.00 0.00 O ATOM 65 CB MET A 340 34.528 1.597 -4.832 1.00 0.00 C ATOM 66 CG MET A 340 35.755 2.383 -5.302 1.00 0.00 C ATOM 67 SD MET A 340 36.141 1.932 -7.012 1.00 0.00 S ATOM 68 CE MET A 340 36.428 3.609 -7.631 1.00 0.00 C ATOM 0 H MET A 340 33.267 3.491 -5.759 1.00 0.00 H new ATOM 0 HA MET A 340 32.879 1.895 -3.475 1.00 0.00 H new ATOM 0 HB2 MET A 340 34.840 0.714 -4.274 1.00 0.00 H new ATOM 0 HB3 MET A 340 33.957 1.245 -5.691 1.00 0.00 H new ATOM 0 HG2 MET A 340 35.563 3.454 -5.231 1.00 0.00 H new ATOM 0 HG3 MET A 340 36.607 2.168 -4.657 1.00 0.00 H new ATOM 0 HE1 MET A 340 37.182 3.582 -8.417 1.00 0.00 H new ATOM 0 HE2 MET A 340 35.499 4.012 -8.033 1.00 0.00 H new ATOM 0 HE3 MET A 340 36.776 4.243 -6.816 1.00 0.00 H new ATOM 78 N ALA A 341 34.585 4.459 -2.902 1.00 0.00 N ATOM 79 CA ALA A 341 35.380 5.197 -1.931 1.00 0.00 C ATOM 80 C ALA A 341 34.525 5.653 -0.754 1.00 0.00 C ATOM 81 O ALA A 341 34.999 5.714 0.381 1.00 0.00 O ATOM 82 CB ALA A 341 35.996 6.421 -2.604 1.00 0.00 C ATOM 0 H ALA A 341 34.104 5.042 -3.587 1.00 0.00 H new ATOM 0 HA ALA A 341 36.162 4.536 -1.558 1.00 0.00 H new ATOM 0 HB1 ALA A 341 36.591 6.974 -1.878 1.00 0.00 H new ATOM 0 HB2 ALA A 341 36.634 6.101 -3.428 1.00 0.00 H new ATOM 0 HB3 ALA A 341 35.203 7.063 -2.988 1.00 0.00 H new ATOM 88 N TYR A 342 33.274 5.996 -1.035 1.00 0.00 N ATOM 89 CA TYR A 342 32.376 6.472 0.007 1.00 0.00 C ATOM 90 C TYR A 342 31.517 5.343 0.575 1.00 0.00 C ATOM 91 O TYR A 342 31.399 5.205 1.793 1.00 0.00 O ATOM 92 CB TYR A 342 31.484 7.580 -0.555 1.00 0.00 C ATOM 93 CG TYR A 342 30.145 7.002 -0.930 1.00 0.00 C ATOM 94 CD1 TYR A 342 29.132 6.891 0.030 1.00 0.00 C ATOM 95 CD2 TYR A 342 29.917 6.568 -2.241 1.00 0.00 C ATOM 96 CE1 TYR A 342 27.891 6.345 -0.322 1.00 0.00 C ATOM 97 CE2 TYR A 342 28.676 6.023 -2.594 1.00 0.00 C ATOM 98 CZ TYR A 342 27.664 5.912 -1.634 1.00 0.00 C ATOM 99 OH TYR A 342 26.440 5.374 -1.980 1.00 0.00 O ATOM 0 H TYR A 342 32.862 5.954 -1.967 1.00 0.00 H new ATOM 0 HA TYR A 342 32.982 6.864 0.824 1.00 0.00 H new ATOM 0 HB2 TYR A 342 31.357 8.370 0.185 1.00 0.00 H new ATOM 0 HB3 TYR A 342 31.954 8.033 -1.428 1.00 0.00 H new ATOM 0 HD1 TYR A 342 29.307 7.226 1.042 1.00 0.00 H new ATOM 0 HD2 TYR A 342 30.699 6.653 -2.981 1.00 0.00 H new ATOM 0 HE1 TYR A 342 27.110 6.258 0.418 1.00 0.00 H new ATOM 0 HE2 TYR A 342 28.500 5.689 -3.606 1.00 0.00 H new ATOM 0 HH TYR A 342 26.448 5.125 -2.928 1.00 0.00 H new ATOM 109 N LEU A 343 30.908 4.540 -0.298 1.00 0.00 N ATOM 110 CA LEU A 343 30.062 3.448 0.173 1.00 0.00 C ATOM 111 C LEU A 343 30.891 2.422 0.936 1.00 0.00 C ATOM 112 O LEU A 343 30.348 1.575 1.645 1.00 0.00 O ATOM 113 CB LEU A 343 29.330 2.774 -0.996 1.00 0.00 C ATOM 114 CG LEU A 343 30.333 2.097 -1.936 1.00 0.00 C ATOM 115 CD1 LEU A 343 30.364 0.590 -1.662 1.00 0.00 C ATOM 116 CD2 LEU A 343 29.905 2.329 -3.390 1.00 0.00 C ATOM 0 H LEU A 343 30.982 4.623 -1.312 1.00 0.00 H new ATOM 0 HA LEU A 343 29.315 3.868 0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 343 28.624 2.036 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 343 28.750 3.515 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 343 31.323 2.520 -1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 343 31.079 0.113 -2.333 1.00 0.00 H new ATOM 0 HD12 LEU A 343 30.663 0.414 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 343 29.372 0.169 -1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 343 30.617 1.848 -4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 343 28.914 1.905 -3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 343 29.879 3.399 -3.595 1.00 0.00 H new ATOM 128 N SER A 344 32.208 2.512 0.796 1.00 0.00 N ATOM 129 CA SER A 344 33.104 1.595 1.485 1.00 0.00 C ATOM 130 C SER A 344 33.508 2.175 2.837 1.00 0.00 C ATOM 131 O SER A 344 34.290 1.575 3.574 1.00 0.00 O ATOM 132 CB SER A 344 34.353 1.344 0.639 1.00 0.00 C ATOM 133 OG SER A 344 35.107 0.287 1.216 1.00 0.00 O ATOM 0 H SER A 344 32.676 3.207 0.215 1.00 0.00 H new ATOM 0 HA SER A 344 32.584 0.650 1.642 1.00 0.00 H new ATOM 0 HB2 SER A 344 34.069 1.088 -0.382 1.00 0.00 H new ATOM 0 HB3 SER A 344 34.957 2.250 0.585 1.00 0.00 H new ATOM 0 HG SER A 344 35.021 0.319 2.192 1.00 0.00 H new ATOM 139 N ALA A 345 32.970 3.353 3.146 1.00 0.00 N ATOM 140 CA ALA A 345 33.274 4.026 4.405 1.00 0.00 C ATOM 141 C ALA A 345 32.009 4.206 5.240 1.00 0.00 C ATOM 142 O ALA A 345 32.028 4.872 6.274 1.00 0.00 O ATOM 143 CB ALA A 345 33.892 5.396 4.121 1.00 0.00 C ATOM 0 H ALA A 345 32.323 3.860 2.542 1.00 0.00 H new ATOM 0 HA ALA A 345 33.979 3.410 4.963 1.00 0.00 H new ATOM 0 HB1 ALA A 345 34.118 5.896 5.063 1.00 0.00 H new ATOM 0 HB2 ALA A 345 34.811 5.269 3.548 1.00 0.00 H new ATOM 0 HB3 ALA A 345 33.189 6.001 3.549 1.00 0.00 H new ATOM 149 N GLU A 346 30.912 3.611 4.783 1.00 0.00 N ATOM 150 CA GLU A 346 29.645 3.719 5.498 1.00 0.00 C ATOM 151 C GLU A 346 28.895 2.391 5.472 1.00 0.00 C ATOM 152 O GLU A 346 27.793 2.300 4.931 1.00 0.00 O ATOM 153 CB GLU A 346 28.781 4.806 4.858 1.00 0.00 C ATOM 154 CG GLU A 346 28.643 4.524 3.362 1.00 0.00 C ATOM 155 CD GLU A 346 27.174 4.578 2.955 1.00 0.00 C ATOM 156 OE1 GLU A 346 26.609 5.658 2.993 1.00 0.00 O ATOM 157 OE2 GLU A 346 26.635 3.537 2.618 1.00 0.00 O ATOM 0 H GLU A 346 30.874 3.054 3.929 1.00 0.00 H new ATOM 0 HA GLU A 346 29.856 3.981 6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 346 27.798 4.829 5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 346 29.233 5.786 5.015 1.00 0.00 H new ATOM 0 HG2 GLU A 346 29.214 5.256 2.791 1.00 0.00 H new ATOM 0 HG3 GLU A 346 29.058 3.543 3.128 1.00 0.00 H new ATOM 164 N LEU A 347 29.500 1.366 6.057 1.00 0.00 N ATOM 165 CA LEU A 347 28.884 0.046 6.097 1.00 0.00 C ATOM 166 C LEU A 347 29.095 -0.599 7.463 1.00 0.00 C ATOM 167 O LEU A 347 28.731 -1.757 7.677 1.00 0.00 O ATOM 168 CB LEU A 347 29.490 -0.843 5.011 1.00 0.00 C ATOM 169 CG LEU A 347 31.008 -0.894 5.184 1.00 0.00 C ATOM 170 CD1 LEU A 347 31.437 -2.325 5.514 1.00 0.00 C ATOM 171 CD2 LEU A 347 31.684 -0.446 3.887 1.00 0.00 C ATOM 0 H LEU A 347 30.413 1.422 6.509 1.00 0.00 H new ATOM 0 HA LEU A 347 27.814 0.156 5.921 1.00 0.00 H new ATOM 0 HB2 LEU A 347 29.072 -1.848 5.073 1.00 0.00 H new ATOM 0 HB3 LEU A 347 29.238 -0.454 4.025 1.00 0.00 H new ATOM 0 HG LEU A 347 31.303 -0.230 5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 347 32.519 -2.361 5.637 1.00 0.00 H new ATOM 0 HD12 LEU A 347 30.956 -2.645 6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 347 31.142 -2.990 4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 347 32.766 -0.482 4.010 1.00 0.00 H new ATOM 0 HD22 LEU A 347 31.388 -1.110 3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 347 31.379 0.574 3.651 1.00 0.00 H new ATOM 183 N PHE A 348 29.691 0.154 8.380 1.00 0.00 N ATOM 184 CA PHE A 348 29.956 -0.353 9.720 1.00 0.00 C ATOM 185 C PHE A 348 29.799 0.759 10.753 1.00 0.00 C ATOM 186 O PHE A 348 29.912 0.523 11.956 1.00 0.00 O ATOM 187 CB PHE A 348 31.379 -0.914 9.785 1.00 0.00 C ATOM 188 CG PHE A 348 32.224 -0.283 8.699 1.00 0.00 C ATOM 189 CD1 PHE A 348 32.202 1.105 8.510 1.00 0.00 C ATOM 190 CD2 PHE A 348 33.031 -1.088 7.885 1.00 0.00 C ATOM 191 CE1 PHE A 348 32.985 1.686 7.507 1.00 0.00 C ATOM 192 CE2 PHE A 348 33.814 -0.506 6.882 1.00 0.00 C ATOM 193 CZ PHE A 348 33.792 0.882 6.693 1.00 0.00 C ATOM 0 H PHE A 348 29.999 1.113 8.221 1.00 0.00 H new ATOM 0 HA PHE A 348 29.239 -1.143 9.943 1.00 0.00 H new ATOM 0 HB2 PHE A 348 31.816 -0.712 10.763 1.00 0.00 H new ATOM 0 HB3 PHE A 348 31.360 -1.997 9.662 1.00 0.00 H new ATOM 0 HD1 PHE A 348 31.581 1.726 9.138 1.00 0.00 H new ATOM 0 HD2 PHE A 348 33.049 -2.158 8.032 1.00 0.00 H new ATOM 0 HE1 PHE A 348 32.967 2.756 7.360 1.00 0.00 H new ATOM 0 HE2 PHE A 348 34.435 -1.127 6.254 1.00 0.00 H new ATOM 0 HZ PHE A 348 34.397 1.332 5.920 1.00 0.00 H new ATOM 203 N HIS A 349 29.547 1.971 10.274 1.00 0.00 N ATOM 204 CA HIS A 349 29.388 3.113 11.161 1.00 0.00 C ATOM 205 C HIS A 349 28.239 2.869 12.136 1.00 0.00 C ATOM 206 O HIS A 349 28.384 3.067 13.342 1.00 0.00 O ATOM 207 CB HIS A 349 29.129 4.376 10.338 1.00 0.00 C ATOM 208 CG HIS A 349 27.792 4.279 9.658 1.00 0.00 C ATOM 209 ND1 HIS A 349 26.647 4.852 10.190 1.00 0.00 N ATOM 210 CD2 HIS A 349 27.403 3.686 8.483 1.00 0.00 C ATOM 211 CE1 HIS A 349 25.634 4.595 9.342 1.00 0.00 C ATOM 212 NE2 HIS A 349 26.040 3.887 8.286 1.00 0.00 N ATOM 0 H HIS A 349 29.449 2.186 9.282 1.00 0.00 H new ATOM 0 HA HIS A 349 30.305 3.247 11.735 1.00 0.00 H new ATOM 0 HB2 HIS A 349 29.155 5.253 10.984 1.00 0.00 H new ATOM 0 HB3 HIS A 349 29.916 4.504 9.595 1.00 0.00 H new ATOM 0 HD2 HIS A 349 28.055 3.146 7.813 1.00 0.00 H new ATOM 0 HE1 HIS A 349 24.616 4.922 9.497 1.00 0.00 H new ATOM 0 HE2 HIS A 349 25.473 3.563 7.503 1.00 0.00 H new ATOM 220 N LEU A 350 27.103 2.429 11.601 1.00 0.00 N ATOM 221 CA LEU A 350 25.931 2.145 12.415 1.00 0.00 C ATOM 222 C LEU A 350 26.323 1.524 13.755 1.00 0.00 C ATOM 223 O LEU A 350 25.885 1.978 14.804 1.00 0.00 O ATOM 224 CB LEU A 350 24.988 1.184 11.668 1.00 0.00 C ATOM 225 CG LEU A 350 25.790 0.189 10.819 1.00 0.00 C ATOM 226 CD1 LEU A 350 25.135 -1.190 10.903 1.00 0.00 C ATOM 227 CD2 LEU A 350 25.802 0.651 9.360 1.00 0.00 C ATOM 0 H LEU A 350 26.972 2.262 10.603 1.00 0.00 H new ATOM 0 HA LEU A 350 25.422 3.090 12.605 1.00 0.00 H new ATOM 0 HB2 LEU A 350 24.370 0.643 12.384 1.00 0.00 H new ATOM 0 HB3 LEU A 350 24.312 1.753 11.029 1.00 0.00 H new ATOM 0 HG LEU A 350 26.812 0.136 11.193 1.00 0.00 H new ATOM 0 HD11 LEU A 350 25.702 -1.900 10.301 1.00 0.00 H new ATOM 0 HD12 LEU A 350 25.122 -1.524 11.941 1.00 0.00 H new ATOM 0 HD13 LEU A 350 24.113 -1.131 10.528 1.00 0.00 H new ATOM 0 HD21 LEU A 350 26.372 -0.057 8.759 1.00 0.00 H new ATOM 0 HD22 LEU A 350 24.779 0.703 8.986 1.00 0.00 H new ATOM 0 HD23 LEU A 350 26.263 1.636 9.294 1.00 0.00 H new ATOM 239 N SER A 351 27.133 0.476 13.711 1.00 0.00 N ATOM 240 CA SER A 351 27.551 -0.213 14.928 1.00 0.00 C ATOM 241 C SER A 351 28.241 0.724 15.922 1.00 0.00 C ATOM 242 O SER A 351 29.459 0.661 16.096 1.00 0.00 O ATOM 243 CB SER A 351 28.496 -1.360 14.574 1.00 0.00 C ATOM 244 OG SER A 351 28.745 -2.140 15.736 1.00 0.00 O ATOM 0 H SER A 351 27.514 0.084 12.850 1.00 0.00 H new ATOM 0 HA SER A 351 26.650 -0.597 15.407 1.00 0.00 H new ATOM 0 HB2 SER A 351 28.057 -1.980 13.793 1.00 0.00 H new ATOM 0 HB3 SER A 351 29.432 -0.966 14.179 1.00 0.00 H new ATOM 0 HG SER A 351 29.350 -2.878 15.511 1.00 0.00 H new ATOM 250 N GLY A 352 27.464 1.582 16.584 1.00 0.00 N ATOM 251 CA GLY A 352 28.029 2.503 17.562 1.00 0.00 C ATOM 252 C GLY A 352 27.372 3.860 17.426 1.00 0.00 C ATOM 253 O GLY A 352 27.098 4.544 18.412 1.00 0.00 O ATOM 0 H GLY A 352 26.454 1.656 16.461 1.00 0.00 H new ATOM 0 HA2 GLY A 352 27.879 2.115 18.570 1.00 0.00 H new ATOM 0 HA3 GLY A 352 29.105 2.593 17.412 1.00 0.00 H new ATOM 257 N ILE A 353 27.111 4.226 16.186 1.00 0.00 N ATOM 258 CA ILE A 353 26.472 5.490 15.882 1.00 0.00 C ATOM 259 C ILE A 353 24.969 5.281 15.745 1.00 0.00 C ATOM 260 O ILE A 353 24.184 6.222 15.838 1.00 0.00 O ATOM 261 CB ILE A 353 27.047 6.026 14.579 1.00 0.00 C ATOM 262 CG1 ILE A 353 28.441 6.605 14.848 1.00 0.00 C ATOM 263 CG2 ILE A 353 26.138 7.119 14.020 1.00 0.00 C ATOM 264 CD1 ILE A 353 29.383 6.244 13.700 1.00 0.00 C ATOM 0 H ILE A 353 27.334 3.660 15.367 1.00 0.00 H new ATOM 0 HA ILE A 353 26.654 6.206 16.684 1.00 0.00 H new ATOM 0 HB ILE A 353 27.117 5.217 13.852 1.00 0.00 H new ATOM 0 HG12 ILE A 353 28.381 7.688 14.954 1.00 0.00 H new ATOM 0 HG13 ILE A 353 28.832 6.214 15.788 1.00 0.00 H new ATOM 0 HG21 ILE A 353 26.556 7.498 13.087 1.00 0.00 H new ATOM 0 HG22 ILE A 353 25.146 6.707 13.832 1.00 0.00 H new ATOM 0 HG23 ILE A 353 26.062 7.933 14.741 1.00 0.00 H new ATOM 0 HD11 ILE A 353 30.372 6.658 13.897 1.00 0.00 H new ATOM 0 HD12 ILE A 353 29.454 5.160 13.615 1.00 0.00 H new ATOM 0 HD13 ILE A 353 28.996 6.656 12.768 1.00 0.00 H new ATOM 276 N MET A 354 24.587 4.029 15.523 1.00 0.00 N ATOM 277 CA MET A 354 23.185 3.671 15.364 1.00 0.00 C ATOM 278 C MET A 354 22.453 3.732 16.700 1.00 0.00 C ATOM 279 O MET A 354 21.288 4.122 16.770 1.00 0.00 O ATOM 280 CB MET A 354 23.069 2.259 14.803 1.00 0.00 C ATOM 281 CG MET A 354 23.491 1.254 15.873 1.00 0.00 C ATOM 282 SD MET A 354 24.028 -0.283 15.082 1.00 0.00 S ATOM 283 CE MET A 354 24.073 -1.304 16.575 1.00 0.00 C ATOM 0 H MET A 354 25.232 3.243 15.449 1.00 0.00 H new ATOM 0 HA MET A 354 22.732 4.385 14.676 1.00 0.00 H new ATOM 0 HB2 MET A 354 22.044 2.064 14.488 1.00 0.00 H new ATOM 0 HB3 MET A 354 23.699 2.153 13.920 1.00 0.00 H new ATOM 0 HG2 MET A 354 24.300 1.667 16.476 1.00 0.00 H new ATOM 0 HG3 MET A 354 22.659 1.056 16.549 1.00 0.00 H new ATOM 0 HE1 MET A 354 24.386 -2.315 16.315 1.00 0.00 H new ATOM 0 HE2 MET A 354 24.780 -0.877 17.287 1.00 0.00 H new ATOM 0 HE3 MET A 354 23.080 -1.336 17.024 1.00 0.00 H new