USER MOD reduce.3.24.130724 H: found=0, std=0, add=143, rem=0, adj=6 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 -60:sc= 0.197 USER MOD Single : A 340 MET CE :methyl 139:sc= -4.75! (180deg=-7.91!) USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot 101:sc= 1.28 USER MOD Single : A 349 HIS : no HD1:sc= -3.75! C(o=-3.7!,f=-4.2!) 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 9.679 -6.373 1.00 0.00 N ATOM 8 CA LYS A 337 36.267 9.392 -4.947 1.00 0.00 C ATOM 9 C LYS A 337 34.801 9.370 -4.532 1.00 0.00 C ATOM 10 O LYS A 337 34.485 9.500 -3.349 1.00 0.00 O ATOM 11 CB LYS A 337 36.997 10.469 -4.138 1.00 0.00 C ATOM 12 CG LYS A 337 36.695 11.862 -4.720 1.00 0.00 C ATOM 13 CD LYS A 337 35.216 12.210 -4.543 1.00 0.00 C ATOM 14 CE LYS A 337 35.044 13.727 -4.557 1.00 0.00 C ATOM 15 NZ LYS A 337 33.607 14.066 -4.355 1.00 0.00 N ATOM 0 HA LYS A 337 36.702 8.412 -4.752 1.00 0.00 H new ATOM 0 HB2 LYS A 337 36.684 10.426 -3.095 1.00 0.00 H new ATOM 0 HB3 LYS A 337 38.071 10.283 -4.156 1.00 0.00 H new ATOM 0 HG2 LYS A 337 37.312 12.611 -4.224 1.00 0.00 H new ATOM 0 HG3 LYS A 337 36.955 11.884 -5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 337 34.627 11.759 -5.342 1.00 0.00 H new ATOM 0 HD3 LYS A 337 34.845 11.800 -3.604 1.00 0.00 H new ATOM 0 HE2 LYS A 337 35.649 14.180 -3.772 1.00 0.00 H new ATOM 0 HE3 LYS A 337 35.395 14.135 -5.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 33.489 15.099 -4.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 33.040 13.646 -5.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 33.287 13.690 -3.440 1.00 0.00 H new ATOM 29 N SER A 338 33.912 9.236 -5.512 1.00 0.00 N ATOM 30 CA SER A 338 32.481 9.235 -5.239 1.00 0.00 C ATOM 31 C SER A 338 31.831 7.924 -5.671 1.00 0.00 C ATOM 32 O SER A 338 31.065 7.886 -6.633 1.00 0.00 O ATOM 33 CB SER A 338 31.833 10.402 -5.981 1.00 0.00 C ATOM 34 OG SER A 338 30.593 10.722 -5.366 1.00 0.00 O ATOM 0 H SER A 338 34.157 9.127 -6.496 1.00 0.00 H new ATOM 0 HA SER A 338 32.333 9.341 -4.164 1.00 0.00 H new ATOM 0 HB2 SER A 338 32.494 11.269 -5.966 1.00 0.00 H new ATOM 0 HB3 SER A 338 31.676 10.140 -7.027 1.00 0.00 H new ATOM 0 HG SER A 338 30.177 11.472 -5.840 1.00 0.00 H new ATOM 40 N TYR A 339 32.132 6.854 -4.943 1.00 0.00 N ATOM 41 CA TYR A 339 31.559 5.548 -5.251 1.00 0.00 C ATOM 42 C TYR A 339 32.099 4.479 -4.293 1.00 0.00 C ATOM 43 O TYR A 339 31.762 4.473 -3.109 1.00 0.00 O ATOM 44 CB TYR A 339 31.850 5.177 -6.714 1.00 0.00 C ATOM 45 CG TYR A 339 33.180 5.752 -7.165 1.00 0.00 C ATOM 46 CD1 TYR A 339 34.249 5.889 -6.270 1.00 0.00 C ATOM 47 CD2 TYR A 339 33.330 6.145 -8.500 1.00 0.00 C ATOM 48 CE1 TYR A 339 35.467 6.417 -6.712 1.00 0.00 C ATOM 49 CE2 TYR A 339 34.549 6.673 -8.942 1.00 0.00 C ATOM 50 CZ TYR A 339 35.618 6.810 -8.047 1.00 0.00 C ATOM 51 OH TYR A 339 36.820 7.324 -8.483 1.00 0.00 O ATOM 0 H TYR A 339 32.764 6.864 -4.142 1.00 0.00 H new ATOM 0 HA TYR A 339 30.478 5.598 -5.117 1.00 0.00 H new ATOM 0 HB2 TYR A 339 31.863 4.092 -6.823 1.00 0.00 H new ATOM 0 HB3 TYR A 339 31.051 5.552 -7.354 1.00 0.00 H new ATOM 0 HD1 TYR A 339 34.133 5.587 -5.240 1.00 0.00 H new ATOM 0 HD2 TYR A 339 32.505 6.041 -9.189 1.00 0.00 H new ATOM 0 HE1 TYR A 339 36.292 6.521 -6.022 1.00 0.00 H new ATOM 0 HE2 TYR A 339 34.665 6.975 -9.973 1.00 0.00 H new ATOM 0 HH TYR A 339 37.030 8.137 -7.978 1.00 0.00 H new ATOM 61 N MET A 340 32.941 3.585 -4.806 1.00 0.00 N ATOM 62 CA MET A 340 33.521 2.525 -3.988 1.00 0.00 C ATOM 63 C MET A 340 34.391 3.115 -2.884 1.00 0.00 C ATOM 64 O MET A 340 34.936 2.389 -2.053 1.00 0.00 O ATOM 65 CB MET A 340 34.370 1.607 -4.866 1.00 0.00 C ATOM 66 CG MET A 340 35.501 2.418 -5.503 1.00 0.00 C ATOM 67 SD MET A 340 35.641 1.988 -7.257 1.00 0.00 S ATOM 68 CE MET A 340 36.064 3.639 -7.874 1.00 0.00 C ATOM 0 H MET A 340 33.236 3.574 -5.782 1.00 0.00 H new ATOM 0 HA MET A 340 32.711 1.956 -3.531 1.00 0.00 H new ATOM 0 HB2 MET A 340 34.782 0.793 -4.269 1.00 0.00 H new ATOM 0 HB3 MET A 340 33.752 1.153 -5.641 1.00 0.00 H new ATOM 0 HG2 MET A 340 35.304 3.484 -5.394 1.00 0.00 H new ATOM 0 HG3 MET A 340 36.442 2.214 -4.992 1.00 0.00 H new ATOM 0 HE1 MET A 340 36.840 3.555 -8.635 1.00 0.00 H new ATOM 0 HE2 MET A 340 35.179 4.103 -8.308 1.00 0.00 H new ATOM 0 HE3 MET A 340 36.428 4.253 -7.050 1.00 0.00 H new ATOM 78 N ALA A 341 34.522 4.433 -2.890 1.00 0.00 N ATOM 79 CA ALA A 341 35.334 5.119 -1.895 1.00 0.00 C ATOM 80 C ALA A 341 34.479 5.591 -0.725 1.00 0.00 C ATOM 81 O ALA A 341 34.958 5.692 0.405 1.00 0.00 O ATOM 82 CB ALA A 341 36.016 6.326 -2.537 1.00 0.00 C ATOM 0 H ALA A 341 34.078 5.048 -3.571 1.00 0.00 H new ATOM 0 HA ALA A 341 36.082 4.420 -1.521 1.00 0.00 H new ATOM 0 HB1 ALA A 341 36.624 6.839 -1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 341 36.652 5.991 -3.356 1.00 0.00 H new ATOM 0 HB3 ALA A 341 35.259 7.010 -2.921 1.00 0.00 H new ATOM 88 N TYR A 342 33.218 5.895 -1.004 1.00 0.00 N ATOM 89 CA TYR A 342 32.316 6.375 0.034 1.00 0.00 C ATOM 90 C TYR A 342 31.473 5.237 0.609 1.00 0.00 C ATOM 91 O TYR A 342 31.349 5.108 1.826 1.00 0.00 O ATOM 92 CB TYR A 342 31.409 7.465 -0.539 1.00 0.00 C ATOM 93 CG TYR A 342 30.102 6.855 -0.973 1.00 0.00 C ATOM 94 CD1 TYR A 342 29.064 6.682 -0.050 1.00 0.00 C ATOM 95 CD2 TYR A 342 29.932 6.453 -2.302 1.00 0.00 C ATOM 96 CE1 TYR A 342 27.854 6.107 -0.458 1.00 0.00 C ATOM 97 CE2 TYR A 342 28.722 5.879 -2.711 1.00 0.00 C ATOM 98 CZ TYR A 342 27.683 5.706 -1.788 1.00 0.00 C ATOM 99 OH TYR A 342 26.490 5.140 -2.190 1.00 0.00 O ATOM 0 H TYR A 342 32.800 5.819 -1.931 1.00 0.00 H new ATOM 0 HA TYR A 342 32.915 6.787 0.846 1.00 0.00 H new ATOM 0 HB2 TYR A 342 31.231 8.236 0.211 1.00 0.00 H new ATOM 0 HB3 TYR A 342 31.895 7.949 -1.386 1.00 0.00 H new ATOM 0 HD1 TYR A 342 29.196 6.992 0.976 1.00 0.00 H new ATOM 0 HD2 TYR A 342 30.734 6.585 -3.013 1.00 0.00 H new ATOM 0 HE1 TYR A 342 27.053 5.973 0.254 1.00 0.00 H new ATOM 0 HE2 TYR A 342 28.590 5.570 -3.737 1.00 0.00 H new ATOM 0 HH TYR A 342 26.537 4.920 -3.144 1.00 0.00 H new ATOM 109 N LEU A 343 30.891 4.417 -0.264 1.00 0.00 N ATOM 110 CA LEU A 343 30.064 3.306 0.198 1.00 0.00 C ATOM 111 C LEU A 343 30.899 2.330 1.019 1.00 0.00 C ATOM 112 O LEU A 343 30.365 1.562 1.819 1.00 0.00 O ATOM 113 CB LEU A 343 29.412 2.585 -0.993 1.00 0.00 C ATOM 114 CG LEU A 343 30.425 1.663 -1.687 1.00 0.00 C ATOM 115 CD1 LEU A 343 30.295 0.227 -1.160 1.00 0.00 C ATOM 116 CD2 LEU A 343 30.146 1.661 -3.192 1.00 0.00 C ATOM 0 H LEU A 343 30.974 4.498 -1.277 1.00 0.00 H new ATOM 0 HA LEU A 343 29.272 3.706 0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 343 28.558 2.002 -0.649 1.00 0.00 H new ATOM 0 HB3 LEU A 343 29.032 3.318 -1.705 1.00 0.00 H new ATOM 0 HG LEU A 343 31.431 2.028 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 343 31.021 -0.412 -1.663 1.00 0.00 H new ATOM 0 HD12 LEU A 343 30.484 0.215 -0.086 1.00 0.00 H new ATOM 0 HD13 LEU A 343 29.288 -0.143 -1.356 1.00 0.00 H new ATOM 0 HD21 LEU A 343 30.861 1.009 -3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 343 29.134 1.299 -3.374 1.00 0.00 H new ATOM 0 HD23 LEU A 343 30.244 2.674 -3.582 1.00 0.00 H new ATOM 128 N SER A 344 32.211 2.373 0.820 1.00 0.00 N ATOM 129 CA SER A 344 33.112 1.494 1.554 1.00 0.00 C ATOM 130 C SER A 344 33.494 2.126 2.887 1.00 0.00 C ATOM 131 O SER A 344 34.274 1.561 3.653 1.00 0.00 O ATOM 132 CB SER A 344 34.373 1.232 0.729 1.00 0.00 C ATOM 133 OG SER A 344 34.017 0.565 -0.474 1.00 0.00 O ATOM 0 H SER A 344 32.672 3.002 0.162 1.00 0.00 H new ATOM 0 HA SER A 344 32.602 0.549 1.742 1.00 0.00 H new ATOM 0 HB2 SER A 344 34.875 2.173 0.502 1.00 0.00 H new ATOM 0 HB3 SER A 344 35.076 0.626 1.300 1.00 0.00 H new ATOM 0 HG SER A 344 33.999 1.209 -1.212 1.00 0.00 H new ATOM 139 N ALA A 345 32.937 3.308 3.150 1.00 0.00 N ATOM 140 CA ALA A 345 33.220 4.025 4.390 1.00 0.00 C ATOM 141 C ALA A 345 31.951 4.183 5.222 1.00 0.00 C ATOM 142 O ALA A 345 31.953 4.858 6.252 1.00 0.00 O ATOM 143 CB ALA A 345 33.791 5.407 4.069 1.00 0.00 C ATOM 0 H ALA A 345 32.290 3.786 2.523 1.00 0.00 H new ATOM 0 HA ALA A 345 33.947 3.450 4.963 1.00 0.00 H new ATOM 0 HB1 ALA A 345 34.001 5.939 4.997 1.00 0.00 H new ATOM 0 HB2 ALA A 345 34.713 5.296 3.498 1.00 0.00 H new ATOM 0 HB3 ALA A 345 33.067 5.973 3.483 1.00 0.00 H new ATOM 149 N GLU A 346 30.867 3.560 4.770 1.00 0.00 N ATOM 150 CA GLU A 346 29.598 3.644 5.484 1.00 0.00 C ATOM 151 C GLU A 346 28.894 2.291 5.492 1.00 0.00 C ATOM 152 O GLU A 346 27.794 2.147 4.958 1.00 0.00 O ATOM 153 CB GLU A 346 28.696 4.683 4.818 1.00 0.00 C ATOM 154 CG GLU A 346 28.601 4.386 3.323 1.00 0.00 C ATOM 155 CD GLU A 346 27.149 4.471 2.864 1.00 0.00 C ATOM 156 OE1 GLU A 346 26.588 5.550 2.943 1.00 0.00 O ATOM 157 OE2 GLU A 346 26.621 3.455 2.444 1.00 0.00 O ATOM 0 H GLU A 346 30.841 2.996 3.920 1.00 0.00 H new ATOM 0 HA GLU A 346 29.801 3.940 6.513 1.00 0.00 H new ATOM 0 HB2 GLU A 346 27.704 4.662 5.268 1.00 0.00 H new ATOM 0 HB3 GLU A 346 29.097 5.684 4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 346 29.210 5.096 2.764 1.00 0.00 H new ATOM 0 HG3 GLU A 346 28.999 3.393 3.115 1.00 0.00 H new ATOM 164 N LEU A 347 29.536 1.302 6.103 1.00 0.00 N ATOM 165 CA LEU A 347 28.966 -0.037 6.178 1.00 0.00 C ATOM 166 C LEU A 347 29.186 -0.632 7.564 1.00 0.00 C ATOM 167 O LEU A 347 28.855 -1.791 7.816 1.00 0.00 O ATOM 168 CB LEU A 347 29.613 -0.939 5.125 1.00 0.00 C ATOM 169 CG LEU A 347 31.131 -0.921 5.308 1.00 0.00 C ATOM 170 CD1 LEU A 347 31.622 -2.329 5.650 1.00 0.00 C ATOM 171 CD2 LEU A 347 31.793 -0.453 4.010 1.00 0.00 C ATOM 0 H LEU A 347 30.447 1.401 6.551 1.00 0.00 H new ATOM 0 HA LEU A 347 27.895 0.031 5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 347 29.236 -1.957 5.220 1.00 0.00 H new ATOM 0 HB3 LEU A 347 29.352 -0.595 4.124 1.00 0.00 H new ATOM 0 HG LEU A 347 31.391 -0.240 6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 347 32.704 -2.315 5.780 1.00 0.00 H new ATOM 0 HD12 LEU A 347 31.150 -2.665 6.573 1.00 0.00 H new ATOM 0 HD13 LEU A 347 31.363 -3.011 4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 347 32.875 -0.439 4.138 1.00 0.00 H new ATOM 0 HD22 LEU A 347 31.532 -1.136 3.202 1.00 0.00 H new ATOM 0 HD23 LEU A 347 31.444 0.550 3.765 1.00 0.00 H new ATOM 183 N PHE A 348 29.755 0.169 8.460 1.00 0.00 N ATOM 184 CA PHE A 348 30.024 -0.285 9.818 1.00 0.00 C ATOM 185 C PHE A 348 29.819 0.851 10.813 1.00 0.00 C ATOM 186 O PHE A 348 29.923 0.654 12.024 1.00 0.00 O ATOM 187 CB PHE A 348 31.465 -0.794 9.913 1.00 0.00 C ATOM 188 CG PHE A 348 32.298 -0.171 8.815 1.00 0.00 C ATOM 189 CD1 PHE A 348 32.232 1.208 8.580 1.00 0.00 C ATOM 190 CD2 PHE A 348 33.136 -0.975 8.033 1.00 0.00 C ATOM 191 CE1 PHE A 348 33.004 1.783 7.564 1.00 0.00 C ATOM 192 CE2 PHE A 348 33.909 -0.400 7.017 1.00 0.00 C ATOM 193 CZ PHE A 348 33.843 0.979 6.782 1.00 0.00 C ATOM 0 H PHE A 348 30.037 1.131 8.270 1.00 0.00 H new ATOM 0 HA PHE A 348 29.332 -1.092 10.060 1.00 0.00 H new ATOM 0 HB2 PHE A 348 31.885 -0.545 10.887 1.00 0.00 H new ATOM 0 HB3 PHE A 348 31.484 -1.880 9.825 1.00 0.00 H new ATOM 0 HD1 PHE A 348 31.585 1.828 9.183 1.00 0.00 H new ATOM 0 HD2 PHE A 348 33.186 -2.039 8.213 1.00 0.00 H new ATOM 0 HE1 PHE A 348 32.953 2.846 7.383 1.00 0.00 H new ATOM 0 HE2 PHE A 348 34.556 -1.020 6.414 1.00 0.00 H new ATOM 0 HZ PHE A 348 34.439 1.422 5.998 1.00 0.00 H new ATOM 203 N HIS A 349 29.536 2.040 10.294 1.00 0.00 N ATOM 204 CA HIS A 349 29.329 3.200 11.147 1.00 0.00 C ATOM 205 C HIS A 349 28.184 2.936 12.122 1.00 0.00 C ATOM 206 O HIS A 349 28.319 3.164 13.324 1.00 0.00 O ATOM 207 CB HIS A 349 29.031 4.432 10.289 1.00 0.00 C ATOM 208 CG HIS A 349 27.703 4.269 9.607 1.00 0.00 C ATOM 209 ND1 HIS A 349 26.539 4.829 10.110 1.00 0.00 N ATOM 210 CD2 HIS A 349 27.337 3.616 8.455 1.00 0.00 C ATOM 211 CE1 HIS A 349 25.538 4.507 9.271 1.00 0.00 C ATOM 212 NE2 HIS A 349 25.970 3.768 8.246 1.00 0.00 N ATOM 0 H HIS A 349 29.446 2.224 9.295 1.00 0.00 H new ATOM 0 HA HIS A 349 30.236 3.387 11.722 1.00 0.00 H new ATOM 0 HB2 HIS A 349 29.023 5.327 10.912 1.00 0.00 H new ATOM 0 HB3 HIS A 349 29.817 4.568 9.546 1.00 0.00 H new ATOM 0 HD2 HIS A 349 28.008 3.068 7.810 1.00 0.00 H new ATOM 0 HE1 HIS A 349 24.510 4.809 9.409 1.00 0.00 H new ATOM 0 HE2 HIS A 349 25.416 3.395 7.475 1.00 0.00 H new ATOM 220 N LEU A 350 27.066 2.446 11.590 1.00 0.00 N ATOM 221 CA LEU A 350 25.900 2.133 12.402 1.00 0.00 C ATOM 222 C LEU A 350 26.306 1.595 13.770 1.00 0.00 C ATOM 223 O LEU A 350 25.822 2.061 14.792 1.00 0.00 O ATOM 224 CB LEU A 350 25.024 1.084 11.693 1.00 0.00 C ATOM 225 CG LEU A 350 25.892 0.122 10.871 1.00 0.00 C ATOM 226 CD1 LEU A 350 25.314 -1.291 10.976 1.00 0.00 C ATOM 227 CD2 LEU A 350 25.893 0.552 9.401 1.00 0.00 C ATOM 0 H LEU A 350 26.946 2.258 10.595 1.00 0.00 H new ATOM 0 HA LEU A 350 25.338 3.057 12.539 1.00 0.00 H new ATOM 0 HB2 LEU A 350 24.449 0.524 12.431 1.00 0.00 H new ATOM 0 HB3 LEU A 350 24.306 1.582 11.041 1.00 0.00 H new ATOM 0 HG LEU A 350 26.912 0.139 11.256 1.00 0.00 H new ATOM 0 HD11 LEU A 350 25.927 -1.979 10.394 1.00 0.00 H new ATOM 0 HD12 LEU A 350 25.308 -1.605 12.020 1.00 0.00 H new ATOM 0 HD13 LEU A 350 24.295 -1.297 10.589 1.00 0.00 H new ATOM 0 HD21 LEU A 350 26.511 -0.134 8.822 1.00 0.00 H new ATOM 0 HD22 LEU A 350 24.873 0.535 9.016 1.00 0.00 H new ATOM 0 HD23 LEU A 350 26.296 1.561 9.317 1.00 0.00 H new ATOM 239 N SER A 351 27.185 0.600 13.780 1.00 0.00 N ATOM 240 CA SER A 351 27.627 -0.005 15.032 1.00 0.00 C ATOM 241 C SER A 351 28.215 1.030 15.990 1.00 0.00 C ATOM 242 O SER A 351 29.431 1.101 16.166 1.00 0.00 O ATOM 243 CB SER A 351 28.674 -1.081 14.746 1.00 0.00 C ATOM 244 OG SER A 351 28.030 -2.237 14.227 1.00 0.00 O ATOM 0 H SER A 351 27.604 0.197 12.942 1.00 0.00 H new ATOM 0 HA SER A 351 26.752 -0.447 15.509 1.00 0.00 H new ATOM 0 HB2 SER A 351 29.409 -0.709 14.032 1.00 0.00 H new ATOM 0 HB3 SER A 351 29.214 -1.331 15.659 1.00 0.00 H new ATOM 0 HG SER A 351 28.699 -2.928 14.041 1.00 0.00 H new ATOM 250 N GLY A 352 27.350 1.830 16.615 1.00 0.00 N ATOM 251 CA GLY A 352 27.807 2.845 17.552 1.00 0.00 C ATOM 252 C GLY A 352 27.031 4.128 17.333 1.00 0.00 C ATOM 253 O GLY A 352 26.709 4.851 18.275 1.00 0.00 O ATOM 0 H GLY A 352 26.339 1.792 16.488 1.00 0.00 H new ATOM 0 HA2 GLY A 352 27.671 2.496 18.576 1.00 0.00 H new ATOM 0 HA3 GLY A 352 28.873 3.026 17.416 1.00 0.00 H new ATOM 257 N ILE A 353 26.727 4.391 16.072 1.00 0.00 N ATOM 258 CA ILE A 353 25.977 5.575 15.708 1.00 0.00 C ATOM 259 C ILE A 353 24.494 5.238 15.584 1.00 0.00 C ATOM 260 O ILE A 353 23.635 6.090 15.791 1.00 0.00 O ATOM 261 CB ILE A 353 26.495 6.116 14.378 1.00 0.00 C ATOM 262 CG1 ILE A 353 27.830 6.830 14.612 1.00 0.00 C ATOM 263 CG2 ILE A 353 25.483 7.105 13.795 1.00 0.00 C ATOM 264 CD1 ILE A 353 28.794 6.500 13.474 1.00 0.00 C ATOM 0 H ILE A 353 26.990 3.798 15.285 1.00 0.00 H new ATOM 0 HA ILE A 353 26.104 6.331 16.483 1.00 0.00 H new ATOM 0 HB ILE A 353 26.635 5.292 13.679 1.00 0.00 H new ATOM 0 HG12 ILE A 353 27.673 7.907 14.668 1.00 0.00 H new ATOM 0 HG13 ILE A 353 28.257 6.520 15.566 1.00 0.00 H new ATOM 0 HG21 ILE A 353 25.856 7.490 12.846 1.00 0.00 H new ATOM 0 HG22 ILE A 353 24.531 6.599 13.633 1.00 0.00 H new ATOM 0 HG23 ILE A 353 25.340 7.932 14.491 1.00 0.00 H new ATOM 0 HD11 ILE A 353 29.743 7.009 13.642 1.00 0.00 H new ATOM 0 HD12 ILE A 353 28.961 5.423 13.439 1.00 0.00 H new ATOM 0 HD13 ILE A 353 28.367 6.832 12.528 1.00 0.00 H new ATOM 276 N MET A 354 24.210 3.985 15.238 1.00 0.00 N ATOM 277 CA MET A 354 22.833 3.538 15.072 1.00 0.00 C ATOM 278 C MET A 354 22.110 3.442 16.414 1.00 0.00 C ATOM 279 O MET A 354 20.903 3.661 16.501 1.00 0.00 O ATOM 280 CB MET A 354 22.788 2.174 14.382 1.00 0.00 C ATOM 281 CG MET A 354 23.364 1.093 15.303 1.00 0.00 C ATOM 282 SD MET A 354 22.008 0.179 16.079 1.00 0.00 S ATOM 283 CE MET A 354 21.679 -0.952 14.705 1.00 0.00 C ATOM 0 H MET A 354 24.913 3.265 15.068 1.00 0.00 H new ATOM 0 HA MET A 354 22.327 4.279 14.453 1.00 0.00 H new ATOM 0 HB2 MET A 354 21.760 1.926 14.118 1.00 0.00 H new ATOM 0 HB3 MET A 354 23.356 2.210 13.453 1.00 0.00 H new ATOM 0 HG2 MET A 354 23.996 0.413 14.732 1.00 0.00 H new ATOM 0 HG3 MET A 354 23.994 1.548 16.067 1.00 0.00 H new ATOM 0 HE1 MET A 354 20.861 -1.621 14.972 1.00 0.00 H new ATOM 0 HE2 MET A 354 21.405 -0.379 13.819 1.00 0.00 H new ATOM 0 HE3 MET A 354 22.573 -1.539 14.495 1.00 0.00 H new