USER MOD reduce.3.24.130724 H: found=0, std=0, add=143, rem=0, adj=8 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 180:sc= 0 USER MOD Single : A 339 TYR OH : rot -53:sc= 0.207 USER MOD Single : A 340 MET CE :methyl -148:sc= -3.27! (180deg=-7.51!) USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot -6:sc= 0.932 USER MOD Single : A 349 HIS :FLIP no HD1:sc= -2.05! F(o=-4.2,f=-2.1!) USER MOD Single : A 351 SER OG : rot 180:sc= 0 USER MOD Single : A 354 MET CE :methyl -176:sc= -0.0872 (180deg=-0.118) USER MOD ----------------------------------------------------------------- ATOM 7 N LYS A 337 36.513 9.373 -6.252 1.00 0.00 N ATOM 8 CA LYS A 337 36.260 9.054 -4.851 1.00 0.00 C ATOM 9 C LYS A 337 34.774 9.186 -4.516 1.00 0.00 C ATOM 10 O LYS A 337 34.408 9.376 -3.355 1.00 0.00 O ATOM 11 CB LYS A 337 37.088 9.977 -3.944 1.00 0.00 C ATOM 12 CG LYS A 337 36.503 11.399 -3.928 1.00 0.00 C ATOM 13 CD LYS A 337 36.295 11.902 -5.359 1.00 0.00 C ATOM 14 CE LYS A 337 36.107 13.421 -5.340 1.00 0.00 C ATOM 15 NZ LYS A 337 37.385 14.084 -5.725 1.00 0.00 N ATOM 0 HA LYS A 337 36.556 8.019 -4.679 1.00 0.00 H new ATOM 0 HB2 LYS A 337 37.107 9.576 -2.931 1.00 0.00 H new ATOM 0 HB3 LYS A 337 38.120 10.008 -4.294 1.00 0.00 H new ATOM 0 HG2 LYS A 337 35.554 11.404 -3.392 1.00 0.00 H new ATOM 0 HG3 LYS A 337 37.175 12.070 -3.393 1.00 0.00 H new ATOM 0 HD2 LYS A 337 37.153 11.638 -5.978 1.00 0.00 H new ATOM 0 HD3 LYS A 337 35.423 11.422 -5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 337 35.313 13.709 -6.030 1.00 0.00 H new ATOM 0 HE3 LYS A 337 35.800 13.748 -4.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 37.258 15.116 -5.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 38.131 13.819 -5.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 37.659 13.781 -6.681 1.00 0.00 H new ATOM 29 N SER A 338 33.923 9.081 -5.537 1.00 0.00 N ATOM 30 CA SER A 338 32.479 9.194 -5.337 1.00 0.00 C ATOM 31 C SER A 338 31.769 7.893 -5.701 1.00 0.00 C ATOM 32 O SER A 338 30.971 7.853 -6.637 1.00 0.00 O ATOM 33 CB SER A 338 31.927 10.331 -6.196 1.00 0.00 C ATOM 34 OG SER A 338 30.676 10.753 -5.669 1.00 0.00 O ATOM 0 H SER A 338 34.206 8.919 -6.503 1.00 0.00 H new ATOM 0 HA SER A 338 32.298 9.403 -4.283 1.00 0.00 H new ATOM 0 HB2 SER A 338 32.629 11.165 -6.210 1.00 0.00 H new ATOM 0 HB3 SER A 338 31.807 9.998 -7.227 1.00 0.00 H new ATOM 0 HG SER A 338 30.320 11.483 -6.217 1.00 0.00 H new ATOM 40 N TYR A 339 32.056 6.833 -4.951 1.00 0.00 N ATOM 41 CA TYR A 339 31.427 5.540 -5.202 1.00 0.00 C ATOM 42 C TYR A 339 31.991 4.471 -4.255 1.00 0.00 C ATOM 43 O TYR A 339 31.716 4.496 -3.056 1.00 0.00 O ATOM 44 CB TYR A 339 31.619 5.140 -6.675 1.00 0.00 C ATOM 45 CG TYR A 339 32.902 5.734 -7.219 1.00 0.00 C ATOM 46 CD1 TYR A 339 34.047 5.816 -6.417 1.00 0.00 C ATOM 47 CD2 TYR A 339 32.935 6.206 -8.536 1.00 0.00 C ATOM 48 CE1 TYR A 339 35.225 6.370 -6.932 1.00 0.00 C ATOM 49 CE2 TYR A 339 34.113 6.760 -9.052 1.00 0.00 C ATOM 50 CZ TYR A 339 35.258 6.842 -8.250 1.00 0.00 C ATOM 51 OH TYR A 339 36.418 7.387 -8.758 1.00 0.00 O ATOM 0 H TYR A 339 32.714 6.843 -4.171 1.00 0.00 H new ATOM 0 HA TYR A 339 30.358 5.622 -5.006 1.00 0.00 H new ATOM 0 HB2 TYR A 339 31.647 4.054 -6.763 1.00 0.00 H new ATOM 0 HB3 TYR A 339 30.771 5.486 -7.266 1.00 0.00 H new ATOM 0 HD1 TYR A 339 34.021 5.452 -5.401 1.00 0.00 H new ATOM 0 HD2 TYR A 339 32.052 6.143 -9.154 1.00 0.00 H new ATOM 0 HE1 TYR A 339 36.108 6.433 -6.313 1.00 0.00 H new ATOM 0 HE2 TYR A 339 34.138 7.124 -10.068 1.00 0.00 H new ATOM 0 HH TYR A 339 36.734 8.097 -8.161 1.00 0.00 H new ATOM 61 N MET A 340 32.780 3.542 -4.790 1.00 0.00 N ATOM 62 CA MET A 340 33.369 2.486 -3.975 1.00 0.00 C ATOM 63 C MET A 340 34.306 3.077 -2.931 1.00 0.00 C ATOM 64 O MET A 340 34.856 2.361 -2.095 1.00 0.00 O ATOM 65 CB MET A 340 34.147 1.519 -4.869 1.00 0.00 C ATOM 66 CG MET A 340 35.086 2.311 -5.781 1.00 0.00 C ATOM 67 SD MET A 340 34.312 2.522 -7.404 1.00 0.00 S ATOM 68 CE MET A 340 35.618 3.526 -8.153 1.00 0.00 C ATOM 0 H MET A 340 33.024 3.500 -5.779 1.00 0.00 H new ATOM 0 HA MET A 340 32.567 1.951 -3.466 1.00 0.00 H new ATOM 0 HB2 MET A 340 34.719 0.822 -4.257 1.00 0.00 H new ATOM 0 HB3 MET A 340 33.457 0.925 -5.468 1.00 0.00 H new ATOM 0 HG2 MET A 340 35.304 3.284 -5.340 1.00 0.00 H new ATOM 0 HG3 MET A 340 36.037 1.788 -5.885 1.00 0.00 H new ATOM 0 HE1 MET A 340 35.178 4.221 -8.868 1.00 0.00 H new ATOM 0 HE2 MET A 340 36.137 4.086 -7.376 1.00 0.00 H new ATOM 0 HE3 MET A 340 36.327 2.877 -8.667 1.00 0.00 H new ATOM 78 N ALA A 341 34.485 4.389 -2.993 1.00 0.00 N ATOM 79 CA ALA A 341 35.362 5.078 -2.058 1.00 0.00 C ATOM 80 C ALA A 341 34.581 5.589 -0.855 1.00 0.00 C ATOM 81 O ALA A 341 35.122 5.702 0.245 1.00 0.00 O ATOM 82 CB ALA A 341 36.029 6.259 -2.760 1.00 0.00 C ATOM 0 H ALA A 341 34.036 4.996 -3.679 1.00 0.00 H new ATOM 0 HA ALA A 341 36.116 4.372 -1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 341 36.686 6.775 -2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 341 36.613 5.897 -3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 341 35.265 6.949 -3.116 1.00 0.00 H new ATOM 88 N TYR A 342 33.313 5.917 -1.072 1.00 0.00 N ATOM 89 CA TYR A 342 32.480 6.437 0.004 1.00 0.00 C ATOM 90 C TYR A 342 31.618 5.339 0.627 1.00 0.00 C ATOM 91 O TYR A 342 31.549 5.221 1.850 1.00 0.00 O ATOM 92 CB TYR A 342 31.594 7.563 -0.530 1.00 0.00 C ATOM 93 CG TYR A 342 30.238 7.012 -0.882 1.00 0.00 C ATOM 94 CD1 TYR A 342 29.236 6.928 0.092 1.00 0.00 C ATOM 95 CD2 TYR A 342 29.983 6.576 -2.188 1.00 0.00 C ATOM 96 CE1 TYR A 342 27.979 6.409 -0.240 1.00 0.00 C ATOM 97 CE2 TYR A 342 28.726 6.056 -2.520 1.00 0.00 C ATOM 98 CZ TYR A 342 27.724 5.973 -1.545 1.00 0.00 C ATOM 99 OH TYR A 342 26.485 5.461 -1.872 1.00 0.00 O ATOM 0 H TYR A 342 32.843 5.833 -1.974 1.00 0.00 H new ATOM 0 HA TYR A 342 33.135 6.825 0.784 1.00 0.00 H new ATOM 0 HB2 TYR A 342 31.496 8.349 0.219 1.00 0.00 H new ATOM 0 HB3 TYR A 342 32.053 8.016 -1.409 1.00 0.00 H new ATOM 0 HD1 TYR A 342 29.433 7.264 1.100 1.00 0.00 H new ATOM 0 HD2 TYR A 342 30.756 6.641 -2.939 1.00 0.00 H new ATOM 0 HE1 TYR A 342 27.206 6.345 0.511 1.00 0.00 H new ATOM 0 HE2 TYR A 342 28.529 5.719 -3.527 1.00 0.00 H new ATOM 0 HH TYR A 342 26.476 5.206 -2.818 1.00 0.00 H new ATOM 109 N LEU A 343 30.957 4.540 -0.209 1.00 0.00 N ATOM 110 CA LEU A 343 30.106 3.471 0.304 1.00 0.00 C ATOM 111 C LEU A 343 30.932 2.485 1.121 1.00 0.00 C ATOM 112 O LEU A 343 30.393 1.732 1.933 1.00 0.00 O ATOM 113 CB LEU A 343 29.390 2.749 -0.848 1.00 0.00 C ATOM 114 CG LEU A 343 30.341 1.767 -1.547 1.00 0.00 C ATOM 115 CD1 LEU A 343 30.173 0.352 -0.975 1.00 0.00 C ATOM 116 CD2 LEU A 343 30.010 1.735 -3.041 1.00 0.00 C ATOM 0 H LEU A 343 30.993 4.611 -1.226 1.00 0.00 H new ATOM 0 HA LEU A 343 29.349 3.912 0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 343 28.523 2.212 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 343 29.020 3.479 -1.568 1.00 0.00 H new ATOM 0 HG LEU A 343 31.368 2.096 -1.386 1.00 0.00 H new ATOM 0 HD11 LEU A 343 30.855 -0.329 -1.483 1.00 0.00 H new ATOM 0 HD12 LEU A 343 30.397 0.362 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 343 29.147 0.018 -1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 343 30.680 1.040 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 343 28.979 1.410 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 343 30.135 2.732 -3.463 1.00 0.00 H new ATOM 128 N SER A 344 32.243 2.502 0.910 1.00 0.00 N ATOM 129 CA SER A 344 33.135 1.612 1.642 1.00 0.00 C ATOM 130 C SER A 344 33.535 2.248 2.967 1.00 0.00 C ATOM 131 O SER A 344 34.296 1.669 3.743 1.00 0.00 O ATOM 132 CB SER A 344 34.386 1.325 0.811 1.00 0.00 C ATOM 133 OG SER A 344 35.316 0.594 1.600 1.00 0.00 O ATOM 0 H SER A 344 32.709 3.117 0.243 1.00 0.00 H new ATOM 0 HA SER A 344 32.613 0.675 1.838 1.00 0.00 H new ATOM 0 HB2 SER A 344 34.122 0.756 -0.081 1.00 0.00 H new ATOM 0 HB3 SER A 344 34.834 2.259 0.472 1.00 0.00 H new ATOM 0 HG SER A 344 34.984 0.527 2.520 1.00 0.00 H new ATOM 139 N ALA A 345 33.014 3.448 3.214 1.00 0.00 N ATOM 140 CA ALA A 345 33.313 4.174 4.444 1.00 0.00 C ATOM 141 C ALA A 345 32.034 4.453 5.225 1.00 0.00 C ATOM 142 O ALA A 345 31.984 5.372 6.043 1.00 0.00 O ATOM 143 CB ALA A 345 34.003 5.497 4.108 1.00 0.00 C ATOM 0 H ALA A 345 32.383 3.937 2.579 1.00 0.00 H new ATOM 0 HA ALA A 345 33.973 3.561 5.057 1.00 0.00 H new ATOM 0 HB1 ALA A 345 34.225 6.036 5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 345 34.931 5.298 3.572 1.00 0.00 H new ATOM 0 HB3 ALA A 345 33.346 6.102 3.483 1.00 0.00 H new ATOM 149 N GLU A 346 31.000 3.659 4.966 1.00 0.00 N ATOM 150 CA GLU A 346 29.725 3.836 5.651 1.00 0.00 C ATOM 151 C GLU A 346 28.936 2.531 5.668 1.00 0.00 C ATOM 152 O GLU A 346 27.764 2.501 5.291 1.00 0.00 O ATOM 153 CB GLU A 346 28.904 4.914 4.945 1.00 0.00 C ATOM 154 CG GLU A 346 28.840 4.603 3.450 1.00 0.00 C ATOM 155 CD GLU A 346 27.392 4.634 2.971 1.00 0.00 C ATOM 156 OE1 GLU A 346 26.828 5.715 2.920 1.00 0.00 O ATOM 157 OE2 GLU A 346 26.869 3.576 2.662 1.00 0.00 O ATOM 0 H GLU A 346 31.019 2.893 4.293 1.00 0.00 H new ATOM 0 HA GLU A 346 29.926 4.139 6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 346 27.898 4.953 5.363 1.00 0.00 H new ATOM 0 HB3 GLU A 346 29.354 5.894 5.105 1.00 0.00 H new ATOM 0 HG2 GLU A 346 29.431 5.330 2.893 1.00 0.00 H new ATOM 0 HG3 GLU A 346 29.275 3.623 3.255 1.00 0.00 H new ATOM 164 N LEU A 347 29.587 1.459 6.109 1.00 0.00 N ATOM 165 CA LEU A 347 28.940 0.152 6.176 1.00 0.00 C ATOM 166 C LEU A 347 29.068 -0.433 7.577 1.00 0.00 C ATOM 167 O LEU A 347 28.476 -1.468 7.885 1.00 0.00 O ATOM 168 CB LEU A 347 29.576 -0.797 5.159 1.00 0.00 C ATOM 169 CG LEU A 347 31.024 -1.085 5.562 1.00 0.00 C ATOM 170 CD1 LEU A 347 31.119 -2.492 6.155 1.00 0.00 C ATOM 171 CD2 LEU A 347 31.923 -0.992 4.328 1.00 0.00 C ATOM 0 H LEU A 347 30.557 1.468 6.424 1.00 0.00 H new ATOM 0 HA LEU A 347 27.882 0.274 5.942 1.00 0.00 H new ATOM 0 HB2 LEU A 347 29.010 -1.727 5.110 1.00 0.00 H new ATOM 0 HB3 LEU A 347 29.546 -0.353 4.164 1.00 0.00 H new ATOM 0 HG LEU A 347 31.346 -0.355 6.305 1.00 0.00 H new ATOM 0 HD11 LEU A 347 32.150 -2.697 6.442 1.00 0.00 H new ATOM 0 HD12 LEU A 347 30.477 -2.561 7.033 1.00 0.00 H new ATOM 0 HD13 LEU A 347 30.797 -3.222 5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 347 32.955 -1.197 4.613 1.00 0.00 H new ATOM 0 HD22 LEU A 347 31.600 -1.722 3.586 1.00 0.00 H new ATOM 0 HD23 LEU A 347 31.856 0.010 3.904 1.00 0.00 H new ATOM 183 N PHE A 348 29.840 0.244 8.420 1.00 0.00 N ATOM 184 CA PHE A 348 30.043 -0.201 9.794 1.00 0.00 C ATOM 185 C PHE A 348 29.717 0.930 10.762 1.00 0.00 C ATOM 186 O PHE A 348 29.732 0.746 11.979 1.00 0.00 O ATOM 187 CB PHE A 348 31.495 -0.646 9.991 1.00 0.00 C ATOM 188 CG PHE A 348 32.372 0.005 8.944 1.00 0.00 C ATOM 189 CD1 PHE A 348 32.284 1.384 8.718 1.00 0.00 C ATOM 190 CD2 PHE A 348 33.271 -0.770 8.202 1.00 0.00 C ATOM 191 CE1 PHE A 348 33.095 1.987 7.750 1.00 0.00 C ATOM 192 CE2 PHE A 348 34.082 -0.166 7.234 1.00 0.00 C ATOM 193 CZ PHE A 348 33.994 1.212 7.008 1.00 0.00 C ATOM 0 H PHE A 348 30.335 1.102 8.177 1.00 0.00 H new ATOM 0 HA PHE A 348 29.380 -1.043 9.992 1.00 0.00 H new ATOM 0 HB2 PHE A 348 31.838 -0.372 10.989 1.00 0.00 H new ATOM 0 HB3 PHE A 348 31.567 -1.731 9.916 1.00 0.00 H new ATOM 0 HD1 PHE A 348 31.591 1.982 9.291 1.00 0.00 H new ATOM 0 HD2 PHE A 348 33.339 -1.834 8.376 1.00 0.00 H new ATOM 0 HE1 PHE A 348 33.027 3.051 7.575 1.00 0.00 H new ATOM 0 HE2 PHE A 348 34.776 -0.764 6.662 1.00 0.00 H new ATOM 0 HZ PHE A 348 34.620 1.678 6.261 1.00 0.00 H new ATOM 203 N HIS A 349 29.430 2.104 10.207 1.00 0.00 N ATOM 204 CA HIS A 349 29.111 3.268 11.019 1.00 0.00 C ATOM 205 C HIS A 349 27.858 3.017 11.853 1.00 0.00 C ATOM 206 O HIS A 349 27.538 3.791 12.754 1.00 0.00 O ATOM 207 CB HIS A 349 28.906 4.494 10.123 1.00 0.00 C ATOM 208 CG HIS A 349 27.738 4.274 9.197 1.00 0.00 C ATOM 209 ND1 HIS A 349 27.428 3.255 8.331 1.00 0.00 N flip ATOM 210 CD2 HIS A 349 26.710 5.196 9.080 1.00 0.00 C flip ATOM 211 CE1 HIS A 349 26.228 3.538 7.685 1.00 0.00 C flip ATOM 212 NE2 HIS A 349 25.838 4.719 8.173 1.00 0.00 N flip ATOM 0 H HIS A 349 29.412 2.272 9.201 1.00 0.00 H new ATOM 0 HA HIS A 349 29.945 3.455 11.695 1.00 0.00 H new ATOM 0 HB2 HIS A 349 28.731 5.377 10.738 1.00 0.00 H new ATOM 0 HB3 HIS A 349 29.809 4.684 9.542 1.00 0.00 H new ATOM 0 HD2 HIS A 349 26.624 6.128 9.619 1.00 0.00 H new ATOM 0 HE1 HIS A 349 25.721 2.933 6.948 1.00 0.00 H new ATOM 0 HE2 HIS A 349 24.984 5.200 7.892 1.00 0.00 H new ATOM 220 N LEU A 350 27.158 1.927 11.546 1.00 0.00 N ATOM 221 CA LEU A 350 25.941 1.574 12.273 1.00 0.00 C ATOM 222 C LEU A 350 26.008 0.128 12.753 1.00 0.00 C ATOM 223 O LEU A 350 25.018 -0.601 12.694 1.00 0.00 O ATOM 224 CB LEU A 350 24.722 1.754 11.367 1.00 0.00 C ATOM 225 CG LEU A 350 24.624 3.214 10.918 1.00 0.00 C ATOM 226 CD1 LEU A 350 23.487 3.362 9.906 1.00 0.00 C ATOM 227 CD2 LEU A 350 24.348 4.119 12.126 1.00 0.00 C ATOM 0 H LEU A 350 27.411 1.276 10.803 1.00 0.00 H new ATOM 0 HA LEU A 350 25.852 2.231 13.138 1.00 0.00 H new ATOM 0 HB2 LEU A 350 24.803 1.101 10.498 1.00 0.00 H new ATOM 0 HB3 LEU A 350 23.816 1.465 11.899 1.00 0.00 H new ATOM 0 HG LEU A 350 25.568 3.508 10.458 1.00 0.00 H new ATOM 0 HD11 LEU A 350 23.417 4.402 9.586 1.00 0.00 H new ATOM 0 HD12 LEU A 350 23.685 2.729 9.041 1.00 0.00 H new ATOM 0 HD13 LEU A 350 22.547 3.061 10.368 1.00 0.00 H new ATOM 0 HD21 LEU A 350 24.280 5.156 11.796 1.00 0.00 H new ATOM 0 HD22 LEU A 350 23.409 3.825 12.594 1.00 0.00 H new ATOM 0 HD23 LEU A 350 25.159 4.020 12.847 1.00 0.00 H new ATOM 239 N SER A 351 27.181 -0.282 13.225 1.00 0.00 N ATOM 240 CA SER A 351 27.365 -1.645 13.710 1.00 0.00 C ATOM 241 C SER A 351 26.158 -2.090 14.529 1.00 0.00 C ATOM 242 O SER A 351 26.030 -1.744 15.703 1.00 0.00 O ATOM 243 CB SER A 351 28.627 -1.730 14.568 1.00 0.00 C ATOM 244 OG SER A 351 28.598 -2.931 15.327 1.00 0.00 O ATOM 0 H SER A 351 28.013 0.305 13.282 1.00 0.00 H new ATOM 0 HA SER A 351 27.468 -2.305 12.849 1.00 0.00 H new ATOM 0 HB2 SER A 351 29.514 -1.708 13.934 1.00 0.00 H new ATOM 0 HB3 SER A 351 28.688 -0.868 15.232 1.00 0.00 H new ATOM 0 HG SER A 351 29.407 -2.990 15.877 1.00 0.00 H new ATOM 250 N GLY A 352 25.275 -2.856 13.899 1.00 0.00 N ATOM 251 CA GLY A 352 24.077 -3.342 14.573 1.00 0.00 C ATOM 252 C GLY A 352 22.898 -3.337 13.612 1.00 0.00 C ATOM 253 O GLY A 352 22.125 -4.291 13.552 1.00 0.00 O ATOM 0 H GLY A 352 25.365 -3.153 12.927 1.00 0.00 H new ATOM 0 HA2 GLY A 352 24.246 -4.351 14.949 1.00 0.00 H new ATOM 0 HA3 GLY A 352 23.856 -2.714 15.436 1.00 0.00 H new ATOM 257 N ILE A 353 22.777 -2.255 12.855 1.00 0.00 N ATOM 258 CA ILE A 353 21.701 -2.127 11.884 1.00 0.00 C ATOM 259 C ILE A 353 22.198 -2.522 10.497 1.00 0.00 C ATOM 260 O ILE A 353 21.478 -3.146 9.718 1.00 0.00 O ATOM 261 CB ILE A 353 21.197 -0.684 11.854 1.00 0.00 C ATOM 262 CG1 ILE A 353 20.510 -0.358 13.182 1.00 0.00 C ATOM 263 CG2 ILE A 353 20.198 -0.513 10.709 1.00 0.00 C ATOM 264 CD1 ILE A 353 21.029 0.981 13.711 1.00 0.00 C ATOM 0 H ILE A 353 23.409 -1.456 12.895 1.00 0.00 H new ATOM 0 HA ILE A 353 20.885 -2.789 12.174 1.00 0.00 H new ATOM 0 HB ILE A 353 22.039 -0.009 11.703 1.00 0.00 H new ATOM 0 HG12 ILE A 353 19.430 -0.312 13.043 1.00 0.00 H new ATOM 0 HG13 ILE A 353 20.705 -1.148 13.908 1.00 0.00 H new ATOM 0 HG21 ILE A 353 19.840 0.516 10.689 1.00 0.00 H new ATOM 0 HG22 ILE A 353 20.686 -0.746 9.763 1.00 0.00 H new ATOM 0 HG23 ILE A 353 19.355 -1.188 10.858 1.00 0.00 H new ATOM 0 HD11 ILE A 353 20.539 1.213 14.657 1.00 0.00 H new ATOM 0 HD12 ILE A 353 22.106 0.918 13.866 1.00 0.00 H new ATOM 0 HD13 ILE A 353 20.812 1.767 12.988 1.00 0.00 H new ATOM 276 N MET A 354 23.437 -2.142 10.204 1.00 0.00 N ATOM 277 CA MET A 354 24.051 -2.434 8.913 1.00 0.00 C ATOM 278 C MET A 354 24.363 -3.919 8.775 1.00 0.00 C ATOM 279 O MET A 354 24.435 -4.447 7.665 1.00 0.00 O ATOM 280 CB MET A 354 25.342 -1.628 8.761 1.00 0.00 C ATOM 281 CG MET A 354 26.357 -2.091 9.807 1.00 0.00 C ATOM 282 SD MET A 354 27.270 -3.519 9.172 1.00 0.00 S ATOM 283 CE MET A 354 28.169 -3.909 10.693 1.00 0.00 C ATOM 0 H MET A 354 24.039 -1.628 10.847 1.00 0.00 H new ATOM 0 HA MET A 354 23.344 -2.155 8.131 1.00 0.00 H new ATOM 0 HB2 MET A 354 25.750 -1.760 7.759 1.00 0.00 H new ATOM 0 HB3 MET A 354 25.136 -0.565 8.884 1.00 0.00 H new ATOM 0 HG2 MET A 354 27.047 -1.281 10.043 1.00 0.00 H new ATOM 0 HG3 MET A 354 25.846 -2.355 10.733 1.00 0.00 H new ATOM 0 HE1 MET A 354 28.860 -4.731 10.507 1.00 0.00 H new ATOM 0 HE2 MET A 354 28.728 -3.032 11.020 1.00 0.00 H new ATOM 0 HE3 MET A 354 27.461 -4.199 11.470 1.00 0.00 H new