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+ -157:sc= -0.0265 (180deg=-0.697) USER MOD Single : A 338 SER OG : rot 180:sc= 0 USER MOD Single : A 339 TYR OH : rot -53:sc= 0.2 USER MOD Single : A 340 MET CE :methyl 145:sc= -1.51 (180deg=-4.65!) USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot -48:sc= 0.463 USER MOD Single : A 349 HIS : no HD1:sc= -3.33 X(o=-3.3,f=-3.8!) 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 36.578 9.462 -6.185 1.00 0.00 N ATOM 8 CA LYS A 337 36.292 9.142 -4.789 1.00 0.00 C ATOM 9 C LYS A 337 34.795 9.244 -4.497 1.00 0.00 C ATOM 10 O LYS A 337 34.394 9.431 -3.348 1.00 0.00 O ATOM 11 CB LYS A 337 37.074 10.087 -3.862 1.00 0.00 C ATOM 12 CG LYS A 337 36.459 11.496 -3.872 1.00 0.00 C ATOM 13 CD LYS A 337 36.281 11.988 -5.310 1.00 0.00 C ATOM 14 CE LYS A 337 36.063 13.502 -5.305 1.00 0.00 C ATOM 15 NZ LYS A 337 35.105 13.863 -4.222 1.00 0.00 N ATOM 0 HA LYS A 337 36.606 8.115 -4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 337 37.071 9.692 -2.846 1.00 0.00 H new ATOM 0 HB3 LYS A 337 38.115 10.138 -4.181 1.00 0.00 H new ATOM 0 HG2 LYS A 337 35.495 11.483 -3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 337 37.101 12.184 -3.322 1.00 0.00 H new ATOM 0 HD2 LYS A 337 37.161 11.738 -5.903 1.00 0.00 H new ATOM 0 HD3 LYS A 337 35.431 11.488 -5.774 1.00 0.00 H new ATOM 0 HE2 LYS A 337 37.012 14.016 -5.152 1.00 0.00 H new ATOM 0 HE3 LYS A 337 35.676 13.828 -6.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 34.659 14.776 -4.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 34.372 13.129 -4.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 35.614 13.937 -3.318 1.00 0.00 H new ATOM 29 N SER A 338 33.975 9.120 -5.540 1.00 0.00 N ATOM 30 CA SER A 338 32.525 9.206 -5.380 1.00 0.00 C ATOM 31 C SER A 338 31.849 7.895 -5.775 1.00 0.00 C ATOM 32 O SER A 338 31.083 7.848 -6.738 1.00 0.00 O ATOM 33 CB SER A 338 31.976 10.343 -6.242 1.00 0.00 C ATOM 34 OG SER A 338 30.710 10.746 -5.736 1.00 0.00 O ATOM 0 H SER A 338 34.287 8.961 -6.498 1.00 0.00 H new ATOM 0 HA SER A 338 32.310 9.402 -4.329 1.00 0.00 H new ATOM 0 HB2 SER A 338 32.668 11.185 -6.237 1.00 0.00 H new ATOM 0 HB3 SER A 338 31.880 10.016 -7.277 1.00 0.00 H new ATOM 0 HG SER A 338 30.355 11.476 -6.285 1.00 0.00 H new ATOM 40 N TYR A 339 32.127 6.837 -5.021 1.00 0.00 N ATOM 41 CA TYR A 339 31.530 5.534 -5.299 1.00 0.00 C ATOM 42 C TYR A 339 32.088 4.470 -4.342 1.00 0.00 C ATOM 43 O TYR A 339 31.781 4.485 -3.150 1.00 0.00 O ATOM 44 CB TYR A 339 31.773 5.147 -6.767 1.00 0.00 C ATOM 45 CG TYR A 339 33.062 5.765 -7.269 1.00 0.00 C ATOM 46 CD1 TYR A 339 34.177 5.874 -6.429 1.00 0.00 C ATOM 47 CD2 TYR A 339 33.130 6.229 -8.588 1.00 0.00 C ATOM 48 CE1 TYR A 339 35.360 6.449 -6.909 1.00 0.00 C ATOM 49 CE2 TYR A 339 34.314 6.805 -9.067 1.00 0.00 C ATOM 50 CZ TYR A 339 35.429 6.914 -8.227 1.00 0.00 C ATOM 51 OH TYR A 339 36.595 7.478 -8.700 1.00 0.00 O ATOM 0 H TYR A 339 32.757 6.854 -4.219 1.00 0.00 H new ATOM 0 HA TYR A 339 30.454 5.594 -5.136 1.00 0.00 H new ATOM 0 HB2 TYR A 339 31.822 4.062 -6.861 1.00 0.00 H new ATOM 0 HB3 TYR A 339 30.938 5.483 -7.381 1.00 0.00 H new ATOM 0 HD1 TYR A 339 34.125 5.515 -5.412 1.00 0.00 H new ATOM 0 HD2 TYR A 339 32.270 6.143 -9.236 1.00 0.00 H new ATOM 0 HE1 TYR A 339 36.220 6.534 -6.261 1.00 0.00 H new ATOM 0 HE2 TYR A 339 34.367 7.165 -10.084 1.00 0.00 H new ATOM 0 HH TYR A 339 36.882 8.192 -8.094 1.00 0.00 H new ATOM 61 N MET A 340 32.908 3.557 -4.861 1.00 0.00 N ATOM 62 CA MET A 340 33.493 2.506 -4.034 1.00 0.00 C ATOM 63 C MET A 340 34.393 3.109 -2.965 1.00 0.00 C ATOM 64 O MET A 340 34.941 2.398 -2.123 1.00 0.00 O ATOM 65 CB MET A 340 34.311 1.556 -4.910 1.00 0.00 C ATOM 66 CG MET A 340 35.528 2.300 -5.466 1.00 0.00 C ATOM 67 SD MET A 340 35.775 1.846 -7.201 1.00 0.00 S ATOM 68 CE MET A 340 36.158 3.501 -7.827 1.00 0.00 C ATOM 0 H MET A 340 33.180 3.525 -5.844 1.00 0.00 H new ATOM 0 HA MET A 340 32.687 1.956 -3.548 1.00 0.00 H new ATOM 0 HB2 MET A 340 34.633 0.693 -4.328 1.00 0.00 H new ATOM 0 HB3 MET A 340 33.697 1.178 -5.727 1.00 0.00 H new ATOM 0 HG2 MET A 340 35.380 3.376 -5.379 1.00 0.00 H new ATOM 0 HG3 MET A 340 36.416 2.052 -4.884 1.00 0.00 H new ATOM 0 HE1 MET A 340 36.900 3.427 -8.622 1.00 0.00 H new ATOM 0 HE2 MET A 340 35.251 3.961 -8.219 1.00 0.00 H new ATOM 0 HE3 MET A 340 36.555 4.113 -7.017 1.00 0.00 H new ATOM 78 N ALA A 341 34.543 4.426 -3.012 1.00 0.00 N ATOM 79 CA ALA A 341 35.383 5.126 -2.051 1.00 0.00 C ATOM 80 C ALA A 341 34.563 5.616 -0.866 1.00 0.00 C ATOM 81 O ALA A 341 35.073 5.732 0.249 1.00 0.00 O ATOM 82 CB ALA A 341 36.046 6.323 -2.731 1.00 0.00 C ATOM 0 H ALA A 341 34.096 5.029 -3.703 1.00 0.00 H new ATOM 0 HA ALA A 341 36.141 4.432 -1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 341 36.675 6.848 -2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 341 36.658 5.976 -3.563 1.00 0.00 H new ATOM 0 HB3 ALA A 341 35.278 7.001 -3.104 1.00 0.00 H new ATOM 88 N TYR A 342 33.295 5.922 -1.115 1.00 0.00 N ATOM 89 CA TYR A 342 32.425 6.422 -0.059 1.00 0.00 C ATOM 90 C TYR A 342 31.570 5.305 0.540 1.00 0.00 C ATOM 91 O TYR A 342 31.471 5.183 1.761 1.00 0.00 O ATOM 92 CB TYR A 342 31.529 7.531 -0.611 1.00 0.00 C ATOM 93 CG TYR A 342 30.195 6.952 -1.007 1.00 0.00 C ATOM 94 CD1 TYR A 342 29.169 6.835 -0.063 1.00 0.00 C ATOM 95 CD2 TYR A 342 29.987 6.526 -2.325 1.00 0.00 C ATOM 96 CE1 TYR A 342 27.933 6.291 -0.436 1.00 0.00 C ATOM 97 CE2 TYR A 342 28.753 5.984 -2.698 1.00 0.00 C ATOM 98 CZ TYR A 342 27.725 5.866 -1.754 1.00 0.00 C ATOM 99 OH TYR A 342 26.507 5.331 -2.122 1.00 0.00 O ATOM 0 H TYR A 342 32.851 5.834 -2.029 1.00 0.00 H new ATOM 0 HA TYR A 342 33.053 6.822 0.737 1.00 0.00 H new ATOM 0 HB2 TYR A 342 31.391 8.309 0.140 1.00 0.00 H new ATOM 0 HB3 TYR A 342 32.003 8.001 -1.473 1.00 0.00 H new ATOM 0 HD1 TYR A 342 29.330 7.164 0.953 1.00 0.00 H new ATOM 0 HD2 TYR A 342 30.780 6.616 -3.053 1.00 0.00 H new ATOM 0 HE1 TYR A 342 27.141 6.199 0.293 1.00 0.00 H new ATOM 0 HE2 TYR A 342 28.593 5.656 -3.714 1.00 0.00 H new ATOM 0 HH TYR A 342 26.530 5.088 -3.071 1.00 0.00 H new ATOM 109 N LEU A 343 30.946 4.495 -0.314 1.00 0.00 N ATOM 110 CA LEU A 343 30.104 3.409 0.176 1.00 0.00 C ATOM 111 C LEU A 343 30.927 2.435 1.010 1.00 0.00 C ATOM 112 O LEU A 343 30.382 1.668 1.804 1.00 0.00 O ATOM 113 CB LEU A 343 29.426 2.679 -0.994 1.00 0.00 C ATOM 114 CG LEU A 343 30.407 1.714 -1.676 1.00 0.00 C ATOM 115 CD1 LEU A 343 30.232 0.293 -1.124 1.00 0.00 C ATOM 116 CD2 LEU A 343 30.120 1.695 -3.179 1.00 0.00 C ATOM 0 H LEU A 343 31.006 4.568 -1.330 1.00 0.00 H new ATOM 0 HA LEU A 343 29.326 3.835 0.809 1.00 0.00 H new ATOM 0 HB2 LEU A 343 28.559 2.127 -0.631 1.00 0.00 H new ATOM 0 HB3 LEU A 343 29.060 3.406 -1.719 1.00 0.00 H new ATOM 0 HG LEU A 343 31.426 2.050 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 343 30.935 -0.378 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 343 30.424 0.293 -0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 343 29.213 -0.047 -1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 343 30.812 1.012 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 343 29.097 1.361 -3.350 1.00 0.00 H new ATOM 0 HD23 LEU A 343 30.247 2.698 -3.586 1.00 0.00 H new ATOM 128 N SER A 344 32.243 2.477 0.833 1.00 0.00 N ATOM 129 CA SER A 344 33.132 1.598 1.582 1.00 0.00 C ATOM 130 C SER A 344 33.505 2.238 2.915 1.00 0.00 C ATOM 131 O SER A 344 34.262 1.666 3.700 1.00 0.00 O ATOM 132 CB SER A 344 34.399 1.321 0.773 1.00 0.00 C ATOM 133 OG SER A 344 35.144 0.290 1.408 1.00 0.00 O ATOM 0 H SER A 344 32.715 3.105 0.182 1.00 0.00 H new ATOM 0 HA SER A 344 32.614 0.658 1.771 1.00 0.00 H new ATOM 0 HB2 SER A 344 34.138 1.025 -0.243 1.00 0.00 H new ATOM 0 HB3 SER A 344 35.001 2.226 0.696 1.00 0.00 H new ATOM 0 HG SER A 344 35.221 0.484 2.366 1.00 0.00 H new ATOM 139 N ALA A 345 32.968 3.432 3.157 1.00 0.00 N ATOM 140 CA ALA A 345 33.245 4.157 4.394 1.00 0.00 C ATOM 141 C ALA A 345 31.965 4.355 5.199 1.00 0.00 C ATOM 142 O ALA A 345 31.943 5.105 6.175 1.00 0.00 O ATOM 143 CB ALA A 345 33.856 5.522 4.068 1.00 0.00 C ATOM 0 H ALA A 345 32.341 3.916 2.515 1.00 0.00 H new ATOM 0 HA ALA A 345 33.947 3.571 4.987 1.00 0.00 H new ATOM 0 HB1 ALA A 345 34.061 6.059 4.994 1.00 0.00 H new ATOM 0 HB2 ALA A 345 34.786 5.382 3.516 1.00 0.00 H new ATOM 0 HB3 ALA A 345 33.157 6.098 3.461 1.00 0.00 H new ATOM 149 N GLU A 346 30.898 3.681 4.783 1.00 0.00 N ATOM 150 CA GLU A 346 29.619 3.794 5.475 1.00 0.00 C ATOM 151 C GLU A 346 28.881 2.459 5.462 1.00 0.00 C ATOM 152 O GLU A 346 27.788 2.347 4.907 1.00 0.00 O ATOM 153 CB GLU A 346 28.758 4.862 4.801 1.00 0.00 C ATOM 154 CG GLU A 346 28.664 4.568 3.304 1.00 0.00 C ATOM 155 CD GLU A 346 27.216 4.684 2.841 1.00 0.00 C ATOM 156 OE1 GLU A 346 26.784 5.796 2.591 1.00 0.00 O ATOM 157 OE2 GLU A 346 26.558 3.660 2.754 1.00 0.00 O ATOM 0 H GLU A 346 30.892 3.056 3.977 1.00 0.00 H new ATOM 0 HA GLU A 346 29.810 4.078 6.510 1.00 0.00 H new ATOM 0 HB2 GLU A 346 27.762 4.875 5.244 1.00 0.00 H new ATOM 0 HB3 GLU A 346 29.191 5.849 4.962 1.00 0.00 H new ATOM 0 HG2 GLU A 346 29.290 5.266 2.748 1.00 0.00 H new ATOM 0 HG3 GLU A 346 29.042 3.567 3.097 1.00 0.00 H new ATOM 164 N LEU A 347 29.486 1.452 6.077 1.00 0.00 N ATOM 165 CA LEU A 347 28.880 0.126 6.133 1.00 0.00 C ATOM 166 C LEU A 347 29.051 -0.481 7.522 1.00 0.00 C ATOM 167 O LEU A 347 28.674 -1.628 7.760 1.00 0.00 O ATOM 168 CB LEU A 347 29.532 -0.786 5.094 1.00 0.00 C ATOM 169 CG LEU A 347 31.044 -0.813 5.321 1.00 0.00 C ATOM 170 CD1 LEU A 347 31.481 -2.232 5.687 1.00 0.00 C ATOM 171 CD2 LEU A 347 31.759 -0.373 4.041 1.00 0.00 C ATOM 0 H LEU A 347 30.391 1.525 6.542 1.00 0.00 H new ATOM 0 HA LEU A 347 27.816 0.222 5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 347 29.123 -1.794 5.171 1.00 0.00 H new ATOM 0 HB3 LEU A 347 29.310 -0.428 4.089 1.00 0.00 H new ATOM 0 HG LEU A 347 31.301 -0.134 6.134 1.00 0.00 H new ATOM 0 HD11 LEU A 347 32.559 -2.250 5.849 1.00 0.00 H new ATOM 0 HD12 LEU A 347 30.972 -2.546 6.598 1.00 0.00 H new ATOM 0 HD13 LEU A 347 31.224 -2.913 4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 347 32.837 -0.392 4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 347 31.501 -1.052 3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 347 31.449 0.639 3.780 1.00 0.00 H new ATOM 183 N PHE A 348 29.631 0.294 8.433 1.00 0.00 N ATOM 184 CA PHE A 348 29.857 -0.180 9.792 1.00 0.00 C ATOM 185 C PHE A 348 29.621 0.942 10.800 1.00 0.00 C ATOM 186 O PHE A 348 29.727 0.734 12.009 1.00 0.00 O ATOM 187 CB PHE A 348 31.294 -0.691 9.925 1.00 0.00 C ATOM 188 CG PHE A 348 32.162 -0.045 8.868 1.00 0.00 C ATOM 189 CD1 PHE A 348 32.084 1.336 8.645 1.00 0.00 C ATOM 190 CD2 PHE A 348 33.043 -0.827 8.112 1.00 0.00 C ATOM 191 CE1 PHE A 348 32.888 1.932 7.666 1.00 0.00 C ATOM 192 CE2 PHE A 348 33.846 -0.230 7.133 1.00 0.00 C ATOM 193 CZ PHE A 348 33.768 1.150 6.910 1.00 0.00 C ATOM 0 H PHE A 348 29.951 1.246 8.256 1.00 0.00 H new ATOM 0 HA PHE A 348 29.157 -0.989 9.999 1.00 0.00 H new ATOM 0 HB2 PHE A 348 31.682 -0.462 10.918 1.00 0.00 H new ATOM 0 HB3 PHE A 348 31.317 -1.775 9.816 1.00 0.00 H new ATOM 0 HD1 PHE A 348 31.404 1.940 9.228 1.00 0.00 H new ATOM 0 HD2 PHE A 348 33.103 -1.891 8.284 1.00 0.00 H new ATOM 0 HE1 PHE A 348 32.829 2.997 7.494 1.00 0.00 H new ATOM 0 HE2 PHE A 348 34.526 -0.834 6.550 1.00 0.00 H new ATOM 0 HZ PHE A 348 34.387 1.611 6.154 1.00 0.00 H new ATOM 203 N HIS A 349 29.318 2.134 10.294 1.00 0.00 N ATOM 204 CA HIS A 349 29.088 3.285 11.157 1.00 0.00 C ATOM 205 C HIS A 349 27.853 3.081 12.034 1.00 0.00 C ATOM 206 O HIS A 349 27.418 4.001 12.726 1.00 0.00 O ATOM 207 CB HIS A 349 28.924 4.554 10.318 1.00 0.00 C ATOM 208 CG HIS A 349 27.641 4.497 9.536 1.00 0.00 C ATOM 209 ND1 HIS A 349 26.489 5.143 9.959 1.00 0.00 N ATOM 210 CD2 HIS A 349 27.315 3.888 8.351 1.00 0.00 C ATOM 211 CE1 HIS A 349 25.534 4.911 9.040 1.00 0.00 C ATOM 212 NE2 HIS A 349 25.984 4.150 8.039 1.00 0.00 N ATOM 0 H HIS A 349 29.227 2.326 9.296 1.00 0.00 H new ATOM 0 HA HIS A 349 29.956 3.393 11.807 1.00 0.00 H new ATOM 0 HB2 HIS A 349 28.925 5.430 10.966 1.00 0.00 H new ATOM 0 HB3 HIS A 349 29.769 4.661 9.638 1.00 0.00 H new ATOM 0 HD2 HIS A 349 27.989 3.295 7.751 1.00 0.00 H new ATOM 0 HE1 HIS A 349 24.526 5.294 9.104 1.00 0.00 H new ATOM 0 HE2 HIS A 349 25.464 3.830 7.222 1.00 0.00 H new ATOM 220 N LEU A 350 27.295 1.871 11.997 1.00 0.00 N ATOM 221 CA LEU A 350 26.117 1.549 12.788 1.00 0.00 C ATOM 222 C LEU A 350 26.382 0.319 13.653 1.00 0.00 C ATOM 223 O LEU A 350 26.458 0.413 14.868 1.00 0.00 O ATOM 224 CB LEU A 350 24.909 1.273 11.878 1.00 0.00 C ATOM 225 CG LEU A 350 25.021 2.078 10.581 1.00 0.00 C ATOM 226 CD1 LEU A 350 25.715 1.235 9.507 1.00 0.00 C ATOM 227 CD2 LEU A 350 23.618 2.453 10.098 1.00 0.00 C ATOM 0 H LEU A 350 27.643 1.101 11.426 1.00 0.00 H new ATOM 0 HA LEU A 350 25.896 2.405 13.426 1.00 0.00 H new ATOM 0 HB2 LEU A 350 24.854 0.209 11.649 1.00 0.00 H new ATOM 0 HB3 LEU A 350 23.987 1.535 12.397 1.00 0.00 H new ATOM 0 HG LEU A 350 25.604 2.981 10.765 1.00 0.00 H new ATOM 0 HD11 LEU A 350 25.793 1.812 8.585 1.00 0.00 H new ATOM 0 HD12 LEU A 350 26.713 0.961 9.848 1.00 0.00 H new ATOM 0 HD13 LEU A 350 25.134 0.332 9.322 1.00 0.00 H new ATOM 0 HD21 LEU A 350 23.692 3.027 9.174 1.00 0.00 H new ATOM 0 HD22 LEU A 350 23.041 1.546 9.916 1.00 0.00 H new ATOM 0 HD23 LEU A 350 23.120 3.054 10.859 1.00 0.00 H new ATOM 239 N SER A 351 26.518 -0.835 13.015 1.00 0.00 N ATOM 240 CA SER A 351 26.760 -2.079 13.745 1.00 0.00 C ATOM 241 C SER A 351 27.939 -1.951 14.709 1.00 0.00 C ATOM 242 O SER A 351 29.057 -2.359 14.390 1.00 0.00 O ATOM 243 CB SER A 351 27.032 -3.214 12.758 1.00 0.00 C ATOM 244 OG SER A 351 25.807 -3.621 12.163 1.00 0.00 O ATOM 0 H SER A 351 26.466 -0.940 12.002 1.00 0.00 H new ATOM 0 HA SER A 351 25.867 -2.297 14.331 1.00 0.00 H new ATOM 0 HB2 SER A 351 27.731 -2.884 11.990 1.00 0.00 H new ATOM 0 HB3 SER A 351 27.497 -4.055 13.272 1.00 0.00 H new ATOM 0 HG SER A 351 25.977 -4.348 11.528 1.00 0.00 H new ATOM 250 N GLY A 352 27.686 -1.384 15.890 1.00 0.00 N ATOM 251 CA GLY A 352 28.733 -1.210 16.888 1.00 0.00 C ATOM 252 C GLY A 352 28.712 0.218 17.393 1.00 0.00 C ATOM 253 O GLY A 352 28.881 0.482 18.584 1.00 0.00 O ATOM 0 H GLY A 352 26.769 -1.040 16.174 1.00 0.00 H new ATOM 0 HA2 GLY A 352 28.581 -1.903 17.716 1.00 0.00 H new ATOM 0 HA3 GLY A 352 29.706 -1.440 16.454 1.00 0.00 H new ATOM 257 N ILE A 353 28.478 1.130 16.465 1.00 0.00 N ATOM 258 CA ILE A 353 28.404 2.540 16.783 1.00 0.00 C ATOM 259 C ILE A 353 26.951 2.928 17.048 1.00 0.00 C ATOM 260 O ILE A 353 26.667 3.947 17.675 1.00 0.00 O ATOM 261 CB ILE A 353 28.925 3.354 15.601 1.00 0.00 C ATOM 262 CG1 ILE A 353 30.349 2.911 15.227 1.00 0.00 C ATOM 263 CG2 ILE A 353 28.917 4.835 15.966 1.00 0.00 C ATOM 264 CD1 ILE A 353 31.264 2.937 16.457 1.00 0.00 C ATOM 0 H ILE A 353 28.335 0.914 15.478 1.00 0.00 H new ATOM 0 HA ILE A 353 29.007 2.742 17.668 1.00 0.00 H new ATOM 0 HB ILE A 353 28.277 3.187 14.740 1.00 0.00 H new ATOM 0 HG12 ILE A 353 30.324 1.905 14.807 1.00 0.00 H new ATOM 0 HG13 ILE A 353 30.749 3.569 14.456 1.00 0.00 H new ATOM 0 HG21 ILE A 353 29.289 5.419 15.124 1.00 0.00 H new ATOM 0 HG22 ILE A 353 27.899 5.146 16.203 1.00 0.00 H new ATOM 0 HG23 ILE A 353 29.557 5.000 16.833 1.00 0.00 H new ATOM 0 HD11 ILE A 353 32.267 2.620 16.171 1.00 0.00 H new ATOM 0 HD12 ILE A 353 31.304 3.949 16.859 1.00 0.00 H new ATOM 0 HD13 ILE A 353 30.872 2.260 17.216 1.00 0.00 H new ATOM 276 N MET A 354 26.045 2.100 16.539 1.00 0.00 N ATOM 277 CA MET A 354 24.612 2.332 16.671 1.00 0.00 C ATOM 278 C MET A 354 24.129 2.108 18.101 1.00 0.00 C ATOM 279 O MET A 354 23.235 2.805 18.583 1.00 0.00 O ATOM 280 CB MET A 354 23.845 1.391 15.743 1.00 0.00 C ATOM 281 CG MET A 354 24.191 -0.059 16.084 1.00 0.00 C ATOM 282 SD MET A 354 22.815 -0.814 16.983 1.00 0.00 S ATOM 283 CE MET A 354 22.041 -1.630 15.565 1.00 0.00 C ATOM 0 H MET A 354 26.283 1.252 16.025 1.00 0.00 H new ATOM 0 HA MET A 354 24.426 3.372 16.401 1.00 0.00 H new ATOM 0 HB2 MET A 354 22.772 1.554 15.848 1.00 0.00 H new ATOM 0 HB3 MET A 354 24.099 1.602 14.704 1.00 0.00 H new ATOM 0 HG2 MET A 354 24.394 -0.620 15.171 1.00 0.00 H new ATOM 0 HG3 MET A 354 25.097 -0.095 16.688 1.00 0.00 H new ATOM 0 HE1 MET A 354 21.153 -2.168 15.895 1.00 0.00 H new ATOM 0 HE2 MET A 354 21.758 -0.882 14.825 1.00 0.00 H new ATOM 0 HE3 MET A 354 22.746 -2.332 15.120 1.00 0.00 H new