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 180:sc= 0 USER MOD Single : A 339 TYR OH : rot -51:sc= 0.16 USER MOD Single : A 340 MET CE :methyl 153:sc= -1.57 (180deg=-4.33!) USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot -43:sc= 0.253 USER MOD Single : A 349 HIS :FLIP no HD1:sc= -3.44 F(o=-4.3!,f=-3.4) 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 36.422 9.449 -6.284 1.00 0.00 N ATOM 8 CA LYS A 337 36.195 9.110 -4.884 1.00 0.00 C ATOM 9 C LYS A 337 34.714 9.229 -4.518 1.00 0.00 C ATOM 10 O LYS A 337 34.370 9.387 -3.346 1.00 0.00 O ATOM 11 CB LYS A 337 37.033 10.028 -3.982 1.00 0.00 C ATOM 12 CG LYS A 337 36.428 11.441 -3.932 1.00 0.00 C ATOM 13 CD LYS A 337 36.149 11.951 -5.348 1.00 0.00 C ATOM 14 CE LYS A 337 35.909 13.461 -5.308 1.00 0.00 C ATOM 15 NZ LYS A 337 34.745 13.802 -6.174 1.00 0.00 N ATOM 0 HA LYS A 337 36.499 8.074 -4.732 1.00 0.00 H new ATOM 0 HB2 LYS A 337 37.081 9.612 -2.976 1.00 0.00 H new ATOM 0 HB3 LYS A 337 38.056 10.078 -4.356 1.00 0.00 H new ATOM 0 HG2 LYS A 337 35.504 11.428 -3.354 1.00 0.00 H new ATOM 0 HG3 LYS A 337 37.113 12.119 -3.422 1.00 0.00 H new ATOM 0 HD2 LYS A 337 36.992 11.723 -6.001 1.00 0.00 H new ATOM 0 HD3 LYS A 337 35.278 11.444 -5.763 1.00 0.00 H new ATOM 0 HE2 LYS A 337 35.721 13.783 -4.284 1.00 0.00 H new ATOM 0 HE3 LYS A 337 36.798 13.991 -5.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 34.581 14.829 -6.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 34.942 13.508 -7.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 33.898 13.307 -5.828 1.00 0.00 H new ATOM 29 N SER A 338 33.846 9.151 -5.526 1.00 0.00 N ATOM 30 CA SER A 338 32.405 9.255 -5.296 1.00 0.00 C ATOM 31 C SER A 338 31.692 7.962 -5.681 1.00 0.00 C ATOM 32 O SER A 338 30.891 7.938 -6.616 1.00 0.00 O ATOM 33 CB SER A 338 31.835 10.412 -6.116 1.00 0.00 C ATOM 34 OG SER A 338 30.589 10.811 -5.560 1.00 0.00 O ATOM 0 H SER A 338 34.112 9.017 -6.502 1.00 0.00 H new ATOM 0 HA SER A 338 32.242 9.436 -4.234 1.00 0.00 H new ATOM 0 HB2 SER A 338 32.531 11.250 -6.117 1.00 0.00 H new ATOM 0 HB3 SER A 338 31.702 10.107 -7.154 1.00 0.00 H new ATOM 0 HG SER A 338 30.221 11.554 -6.082 1.00 0.00 H new ATOM 40 N TYR A 339 31.980 6.889 -4.950 1.00 0.00 N ATOM 41 CA TYR A 339 31.349 5.599 -5.220 1.00 0.00 C ATOM 42 C TYR A 339 31.936 4.509 -4.312 1.00 0.00 C ATOM 43 O TYR A 339 31.688 4.505 -3.107 1.00 0.00 O ATOM 44 CB TYR A 339 31.512 5.234 -6.705 1.00 0.00 C ATOM 45 CG TYR A 339 32.789 5.832 -7.262 1.00 0.00 C ATOM 46 CD1 TYR A 339 33.943 5.918 -6.474 1.00 0.00 C ATOM 47 CD2 TYR A 339 32.805 6.303 -8.580 1.00 0.00 C ATOM 48 CE1 TYR A 339 35.112 6.475 -7.004 1.00 0.00 C ATOM 49 CE2 TYR A 339 33.976 6.859 -9.110 1.00 0.00 C ATOM 50 CZ TYR A 339 35.130 6.945 -8.322 1.00 0.00 C ATOM 51 OH TYR A 339 36.282 7.492 -8.845 1.00 0.00 O ATOM 0 H TYR A 339 32.640 6.885 -4.172 1.00 0.00 H new ATOM 0 HA TYR A 339 30.284 5.674 -5.001 1.00 0.00 H new ATOM 0 HB2 TYR A 339 31.531 4.150 -6.819 1.00 0.00 H new ATOM 0 HB3 TYR A 339 30.655 5.599 -7.271 1.00 0.00 H new ATOM 0 HD1 TYR A 339 33.931 5.554 -5.457 1.00 0.00 H new ATOM 0 HD2 TYR A 339 31.915 6.238 -9.188 1.00 0.00 H new ATOM 0 HE1 TYR A 339 36.002 6.542 -6.395 1.00 0.00 H new ATOM 0 HE2 TYR A 339 33.989 7.222 -10.127 1.00 0.00 H new ATOM 0 HH TYR A 339 36.622 8.181 -8.237 1.00 0.00 H new ATOM 61 N MET A 340 32.717 3.595 -4.887 1.00 0.00 N ATOM 62 CA MET A 340 33.325 2.520 -4.109 1.00 0.00 C ATOM 63 C MET A 340 34.282 3.090 -3.070 1.00 0.00 C ATOM 64 O MET A 340 34.859 2.355 -2.270 1.00 0.00 O ATOM 65 CB MET A 340 34.087 1.576 -5.039 1.00 0.00 C ATOM 66 CG MET A 340 35.311 2.299 -5.604 1.00 0.00 C ATOM 67 SD MET A 340 35.520 1.863 -7.349 1.00 0.00 S ATOM 68 CE MET A 340 35.866 3.530 -7.966 1.00 0.00 C ATOM 0 H MET A 340 32.942 3.578 -5.882 1.00 0.00 H new ATOM 0 HA MET A 340 32.534 1.971 -3.598 1.00 0.00 H new ATOM 0 HB2 MET A 340 34.397 0.684 -4.495 1.00 0.00 H new ATOM 0 HB3 MET A 340 33.439 1.246 -5.851 1.00 0.00 H new ATOM 0 HG2 MET A 340 35.190 3.377 -5.500 1.00 0.00 H new ATOM 0 HG3 MET A 340 36.202 2.023 -5.040 1.00 0.00 H new ATOM 0 HE1 MET A 340 36.475 3.465 -8.868 1.00 0.00 H new ATOM 0 HE2 MET A 340 34.928 4.034 -8.198 1.00 0.00 H new ATOM 0 HE3 MET A 340 36.404 4.095 -7.205 1.00 0.00 H new ATOM 78 N ALA A 341 34.450 4.405 -3.098 1.00 0.00 N ATOM 79 CA ALA A 341 35.344 5.073 -2.165 1.00 0.00 C ATOM 80 C ALA A 341 34.588 5.560 -0.936 1.00 0.00 C ATOM 81 O ALA A 341 35.151 5.644 0.156 1.00 0.00 O ATOM 82 CB ALA A 341 36.001 6.266 -2.855 1.00 0.00 C ATOM 0 H ALA A 341 33.980 5.028 -3.755 1.00 0.00 H new ATOM 0 HA ALA A 341 36.102 4.358 -1.846 1.00 0.00 H new ATOM 0 HB1 ALA A 341 36.671 6.767 -2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 341 36.570 5.919 -3.718 1.00 0.00 H new ATOM 0 HB3 ALA A 341 35.232 6.965 -3.184 1.00 0.00 H new ATOM 88 N TYR A 342 33.318 5.897 -1.121 1.00 0.00 N ATOM 89 CA TYR A 342 32.508 6.395 -0.017 1.00 0.00 C ATOM 90 C TYR A 342 31.669 5.280 0.608 1.00 0.00 C ATOM 91 O TYR A 342 31.630 5.142 1.831 1.00 0.00 O ATOM 92 CB TYR A 342 31.602 7.524 -0.510 1.00 0.00 C ATOM 93 CG TYR A 342 30.243 6.967 -0.847 1.00 0.00 C ATOM 94 CD1 TYR A 342 29.261 6.854 0.143 1.00 0.00 C ATOM 95 CD2 TYR A 342 29.969 6.552 -2.156 1.00 0.00 C ATOM 96 CE1 TYR A 342 28.003 6.328 -0.175 1.00 0.00 C ATOM 97 CE2 TYR A 342 28.711 6.027 -2.474 1.00 0.00 C ATOM 98 CZ TYR A 342 27.728 5.915 -1.484 1.00 0.00 C ATOM 99 OH TYR A 342 26.489 5.396 -1.798 1.00 0.00 O ATOM 0 H TYR A 342 32.831 5.836 -2.015 1.00 0.00 H new ATOM 0 HA TYR A 342 33.179 6.776 0.753 1.00 0.00 H new ATOM 0 HB2 TYR A 342 31.512 8.293 0.257 1.00 0.00 H new ATOM 0 HB3 TYR A 342 32.040 7.999 -1.388 1.00 0.00 H new ATOM 0 HD1 TYR A 342 29.473 7.173 1.153 1.00 0.00 H new ATOM 0 HD2 TYR A 342 30.728 6.637 -2.920 1.00 0.00 H new ATOM 0 HE1 TYR A 342 27.245 6.241 0.589 1.00 0.00 H new ATOM 0 HE2 TYR A 342 28.499 5.708 -3.484 1.00 0.00 H new ATOM 0 HH TYR A 342 26.465 5.160 -2.749 1.00 0.00 H new ATOM 109 N LEU A 343 30.996 4.490 -0.226 1.00 0.00 N ATOM 110 CA LEU A 343 30.168 3.403 0.286 1.00 0.00 C ATOM 111 C LEU A 343 31.025 2.403 1.054 1.00 0.00 C ATOM 112 O LEU A 343 30.516 1.623 1.860 1.00 0.00 O ATOM 113 CB LEU A 343 29.425 2.702 -0.862 1.00 0.00 C ATOM 114 CG LEU A 343 30.367 1.750 -1.613 1.00 0.00 C ATOM 115 CD1 LEU A 343 30.239 0.320 -1.069 1.00 0.00 C ATOM 116 CD2 LEU A 343 29.989 1.747 -3.096 1.00 0.00 C ATOM 0 H LEU A 343 31.007 4.580 -1.242 1.00 0.00 H new ATOM 0 HA LEU A 343 29.428 3.824 0.967 1.00 0.00 H new ATOM 0 HB2 LEU A 343 28.576 2.145 -0.466 1.00 0.00 H new ATOM 0 HB3 LEU A 343 29.025 3.446 -1.551 1.00 0.00 H new ATOM 0 HG LEU A 343 31.393 2.091 -1.476 1.00 0.00 H new ATOM 0 HD11 LEU A 343 30.915 -0.339 -1.615 1.00 0.00 H new ATOM 0 HD12 LEU A 343 30.498 0.309 -0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 343 29.213 -0.027 -1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 343 30.652 1.074 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 343 28.959 1.410 -3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 343 30.087 2.755 -3.498 1.00 0.00 H new ATOM 128 N SER A 344 32.328 2.439 0.804 1.00 0.00 N ATOM 129 CA SER A 344 33.253 1.538 1.480 1.00 0.00 C ATOM 130 C SER A 344 33.731 2.155 2.791 1.00 0.00 C ATOM 131 O SER A 344 34.547 1.569 3.503 1.00 0.00 O ATOM 132 CB SER A 344 34.455 1.251 0.581 1.00 0.00 C ATOM 133 OG SER A 344 35.164 0.128 1.089 1.00 0.00 O ATOM 0 H SER A 344 32.766 3.079 0.142 1.00 0.00 H new ATOM 0 HA SER A 344 32.733 0.605 1.696 1.00 0.00 H new ATOM 0 HB2 SER A 344 34.123 1.055 -0.438 1.00 0.00 H new ATOM 0 HB3 SER A 344 35.110 2.121 0.541 1.00 0.00 H new ATOM 0 HG SER A 344 35.235 0.200 2.064 1.00 0.00 H new ATOM 139 N ALA A 345 33.218 3.346 3.095 1.00 0.00 N ATOM 140 CA ALA A 345 33.596 4.050 4.317 1.00 0.00 C ATOM 141 C ALA A 345 32.383 4.258 5.220 1.00 0.00 C ATOM 142 O ALA A 345 32.474 4.923 6.251 1.00 0.00 O ATOM 143 CB ALA A 345 34.201 5.408 3.962 1.00 0.00 C ATOM 0 H ALA A 345 32.542 3.841 2.514 1.00 0.00 H new ATOM 0 HA ALA A 345 34.330 3.445 4.850 1.00 0.00 H new ATOM 0 HB1 ALA A 345 34.482 5.931 4.876 1.00 0.00 H new ATOM 0 HB2 ALA A 345 35.085 5.261 3.341 1.00 0.00 H new ATOM 0 HB3 ALA A 345 33.468 6.001 3.415 1.00 0.00 H new ATOM 149 N GLU A 346 31.248 3.691 4.825 1.00 0.00 N ATOM 150 CA GLU A 346 30.026 3.830 5.610 1.00 0.00 C ATOM 151 C GLU A 346 29.224 2.533 5.595 1.00 0.00 C ATOM 152 O GLU A 346 28.171 2.452 4.963 1.00 0.00 O ATOM 153 CB GLU A 346 29.172 4.963 5.043 1.00 0.00 C ATOM 154 CG GLU A 346 28.917 4.706 3.558 1.00 0.00 C ATOM 155 CD GLU A 346 27.421 4.758 3.269 1.00 0.00 C ATOM 156 OE1 GLU A 346 26.825 5.792 3.521 1.00 0.00 O ATOM 157 OE2 GLU A 346 26.893 3.764 2.799 1.00 0.00 O ATOM 0 H GLU A 346 31.148 3.136 3.975 1.00 0.00 H new ATOM 0 HA GLU A 346 30.303 4.059 6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 346 28.226 5.026 5.581 1.00 0.00 H new ATOM 0 HB3 GLU A 346 29.679 5.919 5.177 1.00 0.00 H new ATOM 0 HG2 GLU A 346 29.438 5.451 2.957 1.00 0.00 H new ATOM 0 HG3 GLU A 346 29.317 3.732 3.275 1.00 0.00 H new ATOM 164 N LEU A 347 29.729 1.522 6.288 1.00 0.00 N ATOM 165 CA LEU A 347 29.052 0.231 6.340 1.00 0.00 C ATOM 166 C LEU A 347 29.182 -0.400 7.725 1.00 0.00 C ATOM 167 O LEU A 347 28.792 -1.549 7.934 1.00 0.00 O ATOM 168 CB LEU A 347 29.649 -0.706 5.289 1.00 0.00 C ATOM 169 CG LEU A 347 31.164 -0.789 5.483 1.00 0.00 C ATOM 170 CD1 LEU A 347 31.602 -2.254 5.470 1.00 0.00 C ATOM 171 CD2 LEU A 347 31.863 -0.039 4.349 1.00 0.00 C ATOM 0 H LEU A 347 30.599 1.568 6.819 1.00 0.00 H new ATOM 0 HA LEU A 347 27.994 0.389 6.133 1.00 0.00 H new ATOM 0 HB2 LEU A 347 29.205 -1.698 5.376 1.00 0.00 H new ATOM 0 HB3 LEU A 347 29.419 -0.341 4.288 1.00 0.00 H new ATOM 0 HG LEU A 347 31.433 -0.339 6.439 1.00 0.00 H new ATOM 0 HD11 LEU A 347 32.682 -2.312 5.608 1.00 0.00 H new ATOM 0 HD12 LEU A 347 31.103 -2.790 6.278 1.00 0.00 H new ATOM 0 HD13 LEU A 347 31.334 -2.706 4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 347 32.943 -0.097 4.486 1.00 0.00 H new ATOM 0 HD22 LEU A 347 31.593 -0.490 3.394 1.00 0.00 H new ATOM 0 HD23 LEU A 347 31.552 1.006 4.358 1.00 0.00 H new ATOM 183 N PHE A 348 29.745 0.354 8.660 1.00 0.00 N ATOM 184 CA PHE A 348 29.944 -0.135 10.019 1.00 0.00 C ATOM 185 C PHE A 348 29.515 0.921 11.029 1.00 0.00 C ATOM 186 O PHE A 348 29.363 0.637 12.218 1.00 0.00 O ATOM 187 CB PHE A 348 31.422 -0.469 10.231 1.00 0.00 C ATOM 188 CG PHE A 348 32.237 0.808 10.197 1.00 0.00 C ATOM 189 CD1 PHE A 348 32.346 1.537 9.007 1.00 0.00 C ATOM 190 CD2 PHE A 348 32.880 1.259 11.357 1.00 0.00 C ATOM 191 CE1 PHE A 348 33.097 2.718 8.977 1.00 0.00 C ATOM 192 CE2 PHE A 348 33.631 2.440 11.325 1.00 0.00 C ATOM 193 CZ PHE A 348 33.740 3.169 10.135 1.00 0.00 C ATOM 0 H PHE A 348 30.072 1.307 8.503 1.00 0.00 H new ATOM 0 HA PHE A 348 29.339 -1.030 10.163 1.00 0.00 H new ATOM 0 HB2 PHE A 348 31.558 -0.975 11.187 1.00 0.00 H new ATOM 0 HB3 PHE A 348 31.766 -1.154 9.456 1.00 0.00 H new ATOM 0 HD1 PHE A 348 31.851 1.189 8.113 1.00 0.00 H new ATOM 0 HD2 PHE A 348 32.796 0.696 12.275 1.00 0.00 H new ATOM 0 HE1 PHE A 348 33.180 3.281 8.059 1.00 0.00 H new ATOM 0 HE2 PHE A 348 34.127 2.789 12.219 1.00 0.00 H new ATOM 0 HZ PHE A 348 34.320 4.079 10.111 1.00 0.00 H new ATOM 203 N HIS A 349 29.330 2.142 10.545 1.00 0.00 N ATOM 204 CA HIS A 349 28.928 3.247 11.402 1.00 0.00 C ATOM 205 C HIS A 349 27.499 3.060 11.906 1.00 0.00 C ATOM 206 O HIS A 349 26.910 3.975 12.480 1.00 0.00 O ATOM 207 CB HIS A 349 29.049 4.562 10.635 1.00 0.00 C ATOM 208 CG HIS A 349 27.946 4.667 9.620 1.00 0.00 C ATOM 209 ND1 HIS A 349 27.779 4.084 8.388 1.00 0.00 N flip ATOM 210 CD2 HIS A 349 26.825 5.458 9.820 1.00 0.00 C flip ATOM 211 CE1 HIS A 349 26.575 4.506 7.830 1.00 0.00 C flip ATOM 212 NE2 HIS A 349 26.041 5.332 8.733 1.00 0.00 N flip ATOM 0 H HIS A 349 29.452 2.391 9.563 1.00 0.00 H new ATOM 0 HA HIS A 349 29.589 3.271 12.269 1.00 0.00 H new ATOM 0 HB2 HIS A 349 28.999 5.402 11.327 1.00 0.00 H new ATOM 0 HB3 HIS A 349 30.018 4.615 10.138 1.00 0.00 H new ATOM 0 HD2 HIS A 349 26.618 6.065 10.689 1.00 0.00 H new ATOM 0 HE1 HIS A 349 26.162 4.225 6.872 1.00 0.00 H new ATOM 0 HE2 HIS A 349 25.148 5.809 8.614 1.00 0.00 H new ATOM 220 N LEU A 350 26.951 1.868 11.686 1.00 0.00 N ATOM 221 CA LEU A 350 25.599 1.558 12.120 1.00 0.00 C ATOM 222 C LEU A 350 25.630 0.542 13.256 1.00 0.00 C ATOM 223 O LEU A 350 25.316 0.859 14.394 1.00 0.00 O ATOM 224 CB LEU A 350 24.787 0.977 10.956 1.00 0.00 C ATOM 225 CG LEU A 350 25.733 0.488 9.857 1.00 0.00 C ATOM 226 CD1 LEU A 350 24.967 -0.417 8.891 1.00 0.00 C ATOM 227 CD2 LEU A 350 26.299 1.685 9.087 1.00 0.00 C ATOM 0 H LEU A 350 27.426 1.102 11.209 1.00 0.00 H new ATOM 0 HA LEU A 350 25.132 2.480 12.466 1.00 0.00 H new ATOM 0 HB2 LEU A 350 24.167 0.152 11.309 1.00 0.00 H new ATOM 0 HB3 LEU A 350 24.112 1.735 10.557 1.00 0.00 H new ATOM 0 HG LEU A 350 26.552 -0.069 10.312 1.00 0.00 H new ATOM 0 HD11 LEU A 350 25.640 -0.766 8.108 1.00 0.00 H new ATOM 0 HD12 LEU A 350 24.568 -1.274 9.434 1.00 0.00 H new ATOM 0 HD13 LEU A 350 24.146 0.142 8.442 1.00 0.00 H new ATOM 0 HD21 LEU A 350 26.972 1.330 8.306 1.00 0.00 H new ATOM 0 HD22 LEU A 350 25.481 2.246 8.634 1.00 0.00 H new ATOM 0 HD23 LEU A 350 26.847 2.332 9.772 1.00 0.00 H new ATOM 239 N SER A 351 26.003 -0.686 12.928 1.00 0.00 N ATOM 240 CA SER A 351 26.055 -1.758 13.920 1.00 0.00 C ATOM 241 C SER A 351 26.686 -1.299 15.235 1.00 0.00 C ATOM 242 O SER A 351 27.886 -1.472 15.449 1.00 0.00 O ATOM 243 CB SER A 351 26.847 -2.941 13.364 1.00 0.00 C ATOM 244 OG SER A 351 26.758 -4.034 14.269 1.00 0.00 O ATOM 0 H SER A 351 26.274 -0.968 11.986 1.00 0.00 H new ATOM 0 HA SER A 351 25.028 -2.056 14.129 1.00 0.00 H new ATOM 0 HB2 SER A 351 26.455 -3.229 12.388 1.00 0.00 H new ATOM 0 HB3 SER A 351 27.890 -2.659 13.218 1.00 0.00 H new ATOM 0 HG SER A 351 27.264 -4.795 13.914 1.00 0.00 H new ATOM 250 N GLY A 352 25.869 -0.718 16.115 1.00 0.00 N ATOM 251 CA GLY A 352 26.355 -0.246 17.406 1.00 0.00 C ATOM 252 C GLY A 352 25.889 1.177 17.628 1.00 0.00 C ATOM 253 O GLY A 352 25.423 1.540 18.708 1.00 0.00 O ATOM 0 H GLY A 352 24.873 -0.565 15.956 1.00 0.00 H new ATOM 0 HA2 GLY A 352 25.985 -0.890 18.204 1.00 0.00 H new ATOM 0 HA3 GLY A 352 27.444 -0.293 17.437 1.00 0.00 H new ATOM 257 N ILE A 353 26.007 1.969 16.577 1.00 0.00 N ATOM 258 CA ILE A 353 25.589 3.354 16.614 1.00 0.00 C ATOM 259 C ILE A 353 24.178 3.474 16.052 1.00 0.00 C ATOM 260 O ILE A 353 23.496 4.477 16.252 1.00 0.00 O ATOM 261 CB ILE A 353 26.547 4.182 15.767 1.00 0.00 C ATOM 262 CG1 ILE A 353 27.923 4.196 16.435 1.00 0.00 C ATOM 263 CG2 ILE A 353 26.020 5.612 15.640 1.00 0.00 C ATOM 264 CD1 ILE A 353 29.000 3.912 15.387 1.00 0.00 C ATOM 0 H ILE A 353 26.393 1.671 15.681 1.00 0.00 H new ATOM 0 HA ILE A 353 25.598 3.716 17.642 1.00 0.00 H new ATOM 0 HB ILE A 353 26.628 3.744 14.772 1.00 0.00 H new ATOM 0 HG12 ILE A 353 28.102 5.164 16.903 1.00 0.00 H new ATOM 0 HG13 ILE A 353 27.963 3.447 17.226 1.00 0.00 H new ATOM 0 HG21 ILE A 353 26.708 6.201 15.033 1.00 0.00 H new ATOM 0 HG22 ILE A 353 25.039 5.597 15.165 1.00 0.00 H new ATOM 0 HG23 ILE A 353 25.937 6.058 16.631 1.00 0.00 H new ATOM 0 HD11 ILE A 353 29.981 3.922 15.862 1.00 0.00 H new ATOM 0 HD12 ILE A 353 28.823 2.934 14.939 1.00 0.00 H new ATOM 0 HD13 ILE A 353 28.964 4.678 14.612 1.00 0.00 H new ATOM 276 N MET A 354 23.763 2.431 15.341 1.00 0.00 N ATOM 277 CA MET A 354 22.449 2.388 14.720 1.00 0.00 C ATOM 278 C MET A 354 21.353 2.210 15.764 1.00 0.00 C ATOM 279 O MET A 354 20.302 2.848 15.700 1.00 0.00 O ATOM 280 CB MET A 354 22.377 1.231 13.725 1.00 0.00 C ATOM 281 CG MET A 354 22.650 -0.091 14.445 1.00 0.00 C ATOM 282 SD MET A 354 21.085 -0.809 15.002 1.00 0.00 S ATOM 283 CE MET A 354 21.330 -2.458 14.300 1.00 0.00 C ATOM 0 H MET A 354 24.327 1.596 15.181 1.00 0.00 H new ATOM 0 HA MET A 354 22.295 3.335 14.203 1.00 0.00 H new ATOM 0 HB2 MET A 354 21.393 1.204 13.256 1.00 0.00 H new ATOM 0 HB3 MET A 354 23.106 1.379 12.928 1.00 0.00 H new ATOM 0 HG2 MET A 354 23.162 -0.783 13.776 1.00 0.00 H new ATOM 0 HG3 MET A 354 23.309 0.076 15.297 1.00 0.00 H new ATOM 0 HE1 MET A 354 20.466 -3.082 14.528 1.00 0.00 H new ATOM 0 HE2 MET A 354 21.446 -2.380 13.219 1.00 0.00 H new ATOM 0 HE3 MET A 354 22.226 -2.907 14.730 1.00 0.00 H new