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+ -154:sc= 0 (180deg=-0.565) USER MOD Single : A 338 SER OG : rot 180:sc= 0 USER MOD Single : A 339 TYR OH : rot -92:sc= 0.991 USER MOD Single : A 340 MET CE :methyl -145:sc= -6.39! (180deg=-7.7!) USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot -44:sc= 0.157 USER MOD Single : A 349 HIS : no HD1:sc= -4.28 K(o=-4.3,f=-3.2) USER MOD Single : A 351 SER OG : rot 180:sc= 0 USER MOD Single : A 354 MET CE :methyl -170:sc= -0.104 (180deg=-0.345) USER MOD ----------------------------------------------------------------- ATOM 7 N LYS A 337 35.819 9.358 -7.725 1.00 0.00 N ATOM 8 CA LYS A 337 36.206 9.423 -6.310 1.00 0.00 C ATOM 9 C LYS A 337 34.997 9.222 -5.396 1.00 0.00 C ATOM 10 O LYS A 337 35.153 8.909 -4.217 1.00 0.00 O ATOM 11 CB LYS A 337 36.860 10.775 -5.964 1.00 0.00 C ATOM 12 CG LYS A 337 36.072 11.950 -6.572 1.00 0.00 C ATOM 13 CD LYS A 337 35.128 12.539 -5.520 1.00 0.00 C ATOM 14 CE LYS A 337 34.092 13.426 -6.212 1.00 0.00 C ATOM 15 NZ LYS A 337 33.146 13.970 -5.196 1.00 0.00 N ATOM 0 HA LYS A 337 36.926 8.621 -6.148 1.00 0.00 H new ATOM 0 HB2 LYS A 337 36.911 10.890 -4.881 1.00 0.00 H new ATOM 0 HB3 LYS A 337 37.885 10.791 -6.335 1.00 0.00 H new ATOM 0 HG2 LYS A 337 36.760 12.717 -6.927 1.00 0.00 H new ATOM 0 HG3 LYS A 337 35.502 11.609 -7.436 1.00 0.00 H new ATOM 0 HD2 LYS A 337 34.631 11.739 -4.972 1.00 0.00 H new ATOM 0 HD3 LYS A 337 35.693 13.120 -4.792 1.00 0.00 H new ATOM 0 HE2 LYS A 337 34.589 14.243 -6.736 1.00 0.00 H new ATOM 0 HE3 LYS A 337 33.547 12.851 -6.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 32.235 14.184 -5.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 33.002 13.266 -4.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 33.541 14.840 -4.785 1.00 0.00 H new ATOM 29 N SER A 338 33.799 9.420 -5.938 1.00 0.00 N ATOM 30 CA SER A 338 32.577 9.272 -5.154 1.00 0.00 C ATOM 31 C SER A 338 31.847 7.996 -5.540 1.00 0.00 C ATOM 32 O SER A 338 31.080 7.975 -6.503 1.00 0.00 O ATOM 33 CB SER A 338 31.662 10.474 -5.385 1.00 0.00 C ATOM 34 OG SER A 338 30.518 10.361 -4.549 1.00 0.00 O ATOM 0 H SER A 338 33.648 9.682 -6.912 1.00 0.00 H new ATOM 0 HA SER A 338 32.847 9.218 -4.099 1.00 0.00 H new ATOM 0 HB2 SER A 338 32.196 11.399 -5.167 1.00 0.00 H new ATOM 0 HB3 SER A 338 31.359 10.519 -6.431 1.00 0.00 H new ATOM 0 HG SER A 338 29.930 11.131 -4.694 1.00 0.00 H new ATOM 40 N TYR A 339 32.096 6.933 -4.786 1.00 0.00 N ATOM 41 CA TYR A 339 31.464 5.652 -5.060 1.00 0.00 C ATOM 42 C TYR A 339 32.039 4.561 -4.145 1.00 0.00 C ATOM 43 O TYR A 339 31.756 4.531 -2.947 1.00 0.00 O ATOM 44 CB TYR A 339 31.665 5.281 -6.538 1.00 0.00 C ATOM 45 CG TYR A 339 33.005 5.788 -7.058 1.00 0.00 C ATOM 46 CD1 TYR A 339 34.114 5.907 -6.212 1.00 0.00 C ATOM 47 CD2 TYR A 339 33.121 6.119 -8.414 1.00 0.00 C ATOM 48 CE1 TYR A 339 35.338 6.358 -6.721 1.00 0.00 C ATOM 49 CE2 TYR A 339 34.345 6.569 -8.922 1.00 0.00 C ATOM 50 CZ TYR A 339 35.454 6.689 -8.076 1.00 0.00 C ATOM 51 OH TYR A 339 36.662 7.120 -8.578 1.00 0.00 O ATOM 0 H TYR A 339 32.727 6.933 -3.985 1.00 0.00 H new ATOM 0 HA TYR A 339 30.396 5.733 -4.858 1.00 0.00 H new ATOM 0 HB2 TYR A 339 31.613 4.198 -6.654 1.00 0.00 H new ATOM 0 HB3 TYR A 339 30.857 5.704 -7.135 1.00 0.00 H new ATOM 0 HD1 TYR A 339 34.025 5.651 -5.167 1.00 0.00 H new ATOM 0 HD2 TYR A 339 32.266 6.027 -9.067 1.00 0.00 H new ATOM 0 HE1 TYR A 339 36.193 6.450 -6.068 1.00 0.00 H new ATOM 0 HE2 TYR A 339 34.434 6.824 -9.968 1.00 0.00 H new ATOM 0 HH TYR A 339 36.705 8.098 -8.533 1.00 0.00 H new ATOM 61 N MET A 340 32.855 3.681 -4.720 1.00 0.00 N ATOM 62 CA MET A 340 33.481 2.600 -3.965 1.00 0.00 C ATOM 63 C MET A 340 34.384 3.149 -2.867 1.00 0.00 C ATOM 64 O MET A 340 34.930 2.394 -2.062 1.00 0.00 O ATOM 65 CB MET A 340 34.320 1.743 -4.914 1.00 0.00 C ATOM 66 CG MET A 340 35.451 2.596 -5.507 1.00 0.00 C ATOM 67 SD MET A 340 35.729 2.111 -7.228 1.00 0.00 S ATOM 68 CE MET A 340 34.461 3.168 -7.969 1.00 0.00 C ATOM 0 H MET A 340 33.099 3.696 -5.710 1.00 0.00 H new ATOM 0 HA MET A 340 32.694 2.003 -3.504 1.00 0.00 H new ATOM 0 HB2 MET A 340 34.736 0.889 -4.379 1.00 0.00 H new ATOM 0 HB3 MET A 340 33.693 1.345 -5.712 1.00 0.00 H new ATOM 0 HG2 MET A 340 35.191 3.653 -5.453 1.00 0.00 H new ATOM 0 HG3 MET A 340 36.365 2.462 -4.928 1.00 0.00 H new ATOM 0 HE1 MET A 340 34.016 2.658 -8.823 1.00 0.00 H new ATOM 0 HE2 MET A 340 33.688 3.382 -7.230 1.00 0.00 H new ATOM 0 HE3 MET A 340 34.914 4.102 -8.301 1.00 0.00 H new ATOM 78 N ALA A 341 34.548 4.463 -2.852 1.00 0.00 N ATOM 79 CA ALA A 341 35.403 5.107 -1.865 1.00 0.00 C ATOM 80 C ALA A 341 34.600 5.575 -0.658 1.00 0.00 C ATOM 81 O ALA A 341 35.125 5.655 0.453 1.00 0.00 O ATOM 82 CB ALA A 341 36.093 6.310 -2.501 1.00 0.00 C ATOM 0 H ALA A 341 34.102 5.103 -3.509 1.00 0.00 H new ATOM 0 HA ALA A 341 36.141 4.379 -1.528 1.00 0.00 H new ATOM 0 HB1 ALA A 341 36.734 6.794 -1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 341 36.698 5.978 -3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 341 35.341 7.019 -2.849 1.00 0.00 H new ATOM 88 N TYR A 342 33.336 5.908 -0.883 1.00 0.00 N ATOM 89 CA TYR A 342 32.490 6.393 0.197 1.00 0.00 C ATOM 90 C TYR A 342 31.637 5.271 0.789 1.00 0.00 C ATOM 91 O TYR A 342 31.558 5.126 2.009 1.00 0.00 O ATOM 92 CB TYR A 342 31.596 7.520 -0.319 1.00 0.00 C ATOM 93 CG TYR A 342 30.253 6.958 -0.699 1.00 0.00 C ATOM 94 CD1 TYR A 342 29.245 6.821 0.263 1.00 0.00 C ATOM 95 CD2 TYR A 342 30.015 6.564 -2.022 1.00 0.00 C ATOM 96 CE1 TYR A 342 28.001 6.290 -0.097 1.00 0.00 C ATOM 97 CE2 TYR A 342 28.771 6.032 -2.381 1.00 0.00 C ATOM 98 CZ TYR A 342 27.764 5.895 -1.419 1.00 0.00 C ATOM 99 OH TYR A 342 26.537 5.371 -1.773 1.00 0.00 O ATOM 0 H TYR A 342 32.879 5.852 -1.793 1.00 0.00 H new ATOM 0 HA TYR A 342 33.134 6.771 0.991 1.00 0.00 H new ATOM 0 HB2 TYR A 342 31.478 8.286 0.448 1.00 0.00 H new ATOM 0 HB3 TYR A 342 32.059 8.000 -1.181 1.00 0.00 H new ATOM 0 HD1 TYR A 342 29.427 7.125 1.283 1.00 0.00 H new ATOM 0 HD2 TYR A 342 30.791 6.671 -2.765 1.00 0.00 H new ATOM 0 HE1 TYR A 342 27.224 6.185 0.645 1.00 0.00 H new ATOM 0 HE2 TYR A 342 28.588 5.727 -3.401 1.00 0.00 H new ATOM 0 HH TYR A 342 26.539 5.149 -2.728 1.00 0.00 H new ATOM 109 N LEU A 343 30.998 4.481 -0.070 1.00 0.00 N ATOM 110 CA LEU A 343 30.159 3.387 0.411 1.00 0.00 C ATOM 111 C LEU A 343 30.991 2.399 1.219 1.00 0.00 C ATOM 112 O LEU A 343 30.456 1.622 2.011 1.00 0.00 O ATOM 113 CB LEU A 343 29.469 2.678 -0.765 1.00 0.00 C ATOM 114 CG LEU A 343 30.443 1.720 -1.467 1.00 0.00 C ATOM 115 CD1 LEU A 343 30.277 0.293 -0.926 1.00 0.00 C ATOM 116 CD2 LEU A 343 30.139 1.715 -2.967 1.00 0.00 C ATOM 0 H LEU A 343 31.043 4.574 -1.085 1.00 0.00 H new ATOM 0 HA LEU A 343 29.387 3.801 1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 343 28.602 2.124 -0.404 1.00 0.00 H new ATOM 0 HB3 LEU A 343 29.101 3.417 -1.477 1.00 0.00 H new ATOM 0 HG LEU A 343 31.464 2.055 -1.282 1.00 0.00 H new ATOM 0 HD11 LEU A 343 30.975 -0.372 -1.434 1.00 0.00 H new ATOM 0 HD12 LEU A 343 30.481 0.284 0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 343 29.257 -0.047 -1.103 1.00 0.00 H new ATOM 0 HD21 LEU A 343 30.825 1.038 -3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 343 29.114 1.382 -3.129 1.00 0.00 H new ATOM 0 HD23 LEU A 343 30.261 2.722 -3.366 1.00 0.00 H new ATOM 128 N SER A 344 32.303 2.438 1.018 1.00 0.00 N ATOM 129 CA SER A 344 33.205 1.549 1.737 1.00 0.00 C ATOM 130 C SER A 344 33.598 2.169 3.072 1.00 0.00 C ATOM 131 O SER A 344 34.368 1.587 3.837 1.00 0.00 O ATOM 132 CB SER A 344 34.460 1.289 0.903 1.00 0.00 C ATOM 133 OG SER A 344 35.130 0.141 1.408 1.00 0.00 O ATOM 0 H SER A 344 32.764 3.073 0.366 1.00 0.00 H new ATOM 0 HA SER A 344 32.693 0.604 1.919 1.00 0.00 H new ATOM 0 HB2 SER A 344 34.191 1.137 -0.142 1.00 0.00 H new ATOM 0 HB3 SER A 344 35.121 2.155 0.939 1.00 0.00 H new ATOM 0 HG SER A 344 35.154 0.180 2.387 1.00 0.00 H new ATOM 139 N ALA A 345 33.060 3.358 3.339 1.00 0.00 N ATOM 140 CA ALA A 345 33.352 4.066 4.581 1.00 0.00 C ATOM 141 C ALA A 345 32.070 4.313 5.370 1.00 0.00 C ATOM 142 O ALA A 345 32.022 5.191 6.233 1.00 0.00 O ATOM 143 CB ALA A 345 34.022 5.405 4.268 1.00 0.00 C ATOM 0 H ALA A 345 32.422 3.849 2.713 1.00 0.00 H new ATOM 0 HA ALA A 345 34.023 3.451 5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 345 34.238 5.930 5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 345 34.951 5.229 3.726 1.00 0.00 H new ATOM 0 HB3 ALA A 345 33.355 6.011 3.656 1.00 0.00 H new ATOM 149 N GLU A 346 31.035 3.537 5.069 1.00 0.00 N ATOM 150 CA GLU A 346 29.758 3.686 5.757 1.00 0.00 C ATOM 151 C GLU A 346 28.967 2.382 5.711 1.00 0.00 C ATOM 152 O GLU A 346 27.867 2.332 5.162 1.00 0.00 O ATOM 153 CB GLU A 346 28.941 4.801 5.103 1.00 0.00 C ATOM 154 CG GLU A 346 28.849 4.547 3.598 1.00 0.00 C ATOM 155 CD GLU A 346 27.401 4.660 3.135 1.00 0.00 C ATOM 156 OE1 GLU A 346 26.911 5.775 3.052 1.00 0.00 O ATOM 157 OE2 GLU A 346 26.804 3.631 2.866 1.00 0.00 O ATOM 0 H GLU A 346 31.054 2.804 4.360 1.00 0.00 H new ATOM 0 HA GLU A 346 29.956 3.941 6.798 1.00 0.00 H new ATOM 0 HB2 GLU A 346 27.942 4.839 5.538 1.00 0.00 H new ATOM 0 HB3 GLU A 346 29.408 5.768 5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 346 29.468 5.266 3.061 1.00 0.00 H new ATOM 0 HG3 GLU A 346 29.237 3.556 3.364 1.00 0.00 H new ATOM 164 N LEU A 347 29.533 1.330 6.293 1.00 0.00 N ATOM 165 CA LEU A 347 28.869 0.032 6.312 1.00 0.00 C ATOM 166 C LEU A 347 29.029 -0.633 7.676 1.00 0.00 C ATOM 167 O LEU A 347 28.648 -1.788 7.868 1.00 0.00 O ATOM 168 CB LEU A 347 29.445 -0.873 5.218 1.00 0.00 C ATOM 169 CG LEU A 347 30.960 -0.991 5.391 1.00 0.00 C ATOM 170 CD1 LEU A 347 31.362 -2.466 5.381 1.00 0.00 C ATOM 171 CD2 LEU A 347 31.660 -0.265 4.242 1.00 0.00 C ATOM 0 H LEU A 347 30.443 1.350 6.754 1.00 0.00 H new ATOM 0 HA LEU A 347 27.807 0.187 6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 347 28.985 -1.860 5.270 1.00 0.00 H new ATOM 0 HB3 LEU A 347 29.212 -0.464 4.235 1.00 0.00 H new ATOM 0 HG LEU A 347 31.254 -0.542 6.340 1.00 0.00 H new ATOM 0 HD11 LEU A 347 32.442 -2.550 5.504 1.00 0.00 H new ATOM 0 HD12 LEU A 347 30.862 -2.985 6.199 1.00 0.00 H new ATOM 0 HD13 LEU A 347 31.069 -2.917 4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 347 32.740 -0.348 4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 347 31.366 -0.715 3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 347 31.374 0.787 4.248 1.00 0.00 H new ATOM 183 N PHE A 348 29.599 0.109 8.615 1.00 0.00 N ATOM 184 CA PHE A 348 29.823 -0.396 9.964 1.00 0.00 C ATOM 185 C PHE A 348 29.487 0.684 10.983 1.00 0.00 C ATOM 186 O PHE A 348 29.197 0.393 12.145 1.00 0.00 O ATOM 187 CB PHE A 348 31.287 -0.811 10.126 1.00 0.00 C ATOM 188 CG PHE A 348 32.164 0.423 10.106 1.00 0.00 C ATOM 189 CD1 PHE A 348 32.272 1.182 8.934 1.00 0.00 C ATOM 190 CD2 PHE A 348 32.865 0.805 11.255 1.00 0.00 C ATOM 191 CE1 PHE A 348 33.081 2.324 8.913 1.00 0.00 C ATOM 192 CE2 PHE A 348 33.675 1.947 11.233 1.00 0.00 C ATOM 193 CZ PHE A 348 33.783 2.707 10.063 1.00 0.00 C ATOM 0 H PHE A 348 29.916 1.067 8.467 1.00 0.00 H new ATOM 0 HA PHE A 348 29.181 -1.261 10.130 1.00 0.00 H new ATOM 0 HB2 PHE A 348 31.422 -1.351 11.063 1.00 0.00 H new ATOM 0 HB3 PHE A 348 31.575 -1.489 9.323 1.00 0.00 H new ATOM 0 HD1 PHE A 348 31.731 0.886 8.047 1.00 0.00 H new ATOM 0 HD2 PHE A 348 32.781 0.219 12.159 1.00 0.00 H new ATOM 0 HE1 PHE A 348 33.164 2.910 8.010 1.00 0.00 H new ATOM 0 HE2 PHE A 348 34.217 2.241 12.120 1.00 0.00 H new ATOM 0 HZ PHE A 348 34.407 3.588 10.047 1.00 0.00 H new ATOM 203 N HIS A 349 29.533 1.931 10.535 1.00 0.00 N ATOM 204 CA HIS A 349 29.240 3.062 11.402 1.00 0.00 C ATOM 205 C HIS A 349 27.824 2.965 11.961 1.00 0.00 C ATOM 206 O HIS A 349 27.454 3.714 12.866 1.00 0.00 O ATOM 207 CB HIS A 349 29.401 4.366 10.618 1.00 0.00 C ATOM 208 CG HIS A 349 28.386 4.419 9.508 1.00 0.00 C ATOM 209 ND1 HIS A 349 27.625 5.550 9.257 1.00 0.00 N ATOM 210 CD2 HIS A 349 28.009 3.496 8.565 1.00 0.00 C ATOM 211 CE1 HIS A 349 26.834 5.281 8.202 1.00 0.00 C ATOM 212 NE2 HIS A 349 27.030 4.042 7.741 1.00 0.00 N ATOM 0 H HIS A 349 29.771 2.184 9.576 1.00 0.00 H new ATOM 0 HA HIS A 349 29.940 3.049 12.237 1.00 0.00 H new ATOM 0 HB2 HIS A 349 29.272 5.220 11.283 1.00 0.00 H new ATOM 0 HB3 HIS A 349 30.408 4.432 10.206 1.00 0.00 H new ATOM 0 HD2 HIS A 349 28.411 2.498 8.476 1.00 0.00 H new ATOM 0 HE1 HIS A 349 26.128 5.980 7.780 1.00 0.00 H new ATOM 0 HE2 HIS A 349 26.562 3.593 6.954 1.00 0.00 H new ATOM 220 N LEU A 350 27.040 2.034 11.421 1.00 0.00 N ATOM 221 CA LEU A 350 25.666 1.843 11.877 1.00 0.00 C ATOM 222 C LEU A 350 25.411 0.373 12.194 1.00 0.00 C ATOM 223 O LEU A 350 24.464 -0.226 11.686 1.00 0.00 O ATOM 224 CB LEU A 350 24.685 2.311 10.798 1.00 0.00 C ATOM 225 CG LEU A 350 24.875 3.809 10.537 1.00 0.00 C ATOM 226 CD1 LEU A 350 23.977 4.241 9.377 1.00 0.00 C ATOM 227 CD2 LEU A 350 24.506 4.614 11.789 1.00 0.00 C ATOM 0 H LEU A 350 27.330 1.405 10.673 1.00 0.00 H new ATOM 0 HA LEU A 350 25.517 2.433 12.782 1.00 0.00 H new ATOM 0 HB2 LEU A 350 24.847 1.749 9.878 1.00 0.00 H new ATOM 0 HB3 LEU A 350 23.661 2.115 11.115 1.00 0.00 H new ATOM 0 HG LEU A 350 25.919 3.996 10.287 1.00 0.00 H new ATOM 0 HD11 LEU A 350 24.111 5.306 9.190 1.00 0.00 H new ATOM 0 HD12 LEU A 350 24.244 3.679 8.482 1.00 0.00 H new ATOM 0 HD13 LEU A 350 22.935 4.046 9.631 1.00 0.00 H new ATOM 0 HD21 LEU A 350 24.645 5.677 11.592 1.00 0.00 H new ATOM 0 HD22 LEU A 350 23.464 4.426 12.048 1.00 0.00 H new ATOM 0 HD23 LEU A 350 25.146 4.312 12.618 1.00 0.00 H new ATOM 239 N SER A 351 26.265 -0.202 13.035 1.00 0.00 N ATOM 240 CA SER A 351 26.121 -1.604 13.413 1.00 0.00 C ATOM 241 C SER A 351 24.714 -1.873 13.935 1.00 0.00 C ATOM 242 O SER A 351 24.391 -1.548 15.077 1.00 0.00 O ATOM 243 CB SER A 351 27.148 -1.965 14.486 1.00 0.00 C ATOM 244 OG SER A 351 26.732 -3.149 15.153 1.00 0.00 O ATOM 0 H SER A 351 27.057 0.276 13.465 1.00 0.00 H new ATOM 0 HA SER A 351 26.292 -2.220 12.530 1.00 0.00 H new ATOM 0 HB2 SER A 351 28.128 -2.114 14.033 1.00 0.00 H new ATOM 0 HB3 SER A 351 27.248 -1.147 15.200 1.00 0.00 H new ATOM 0 HG SER A 351 27.389 -3.385 15.841 1.00 0.00 H new ATOM 250 N GLY A 352 23.880 -2.461 13.084 1.00 0.00 N ATOM 251 CA GLY A 352 22.506 -2.764 13.459 1.00 0.00 C ATOM 252 C GLY A 352 21.579 -2.497 12.284 1.00 0.00 C ATOM 253 O GLY A 352 20.748 -3.333 11.927 1.00 0.00 O ATOM 0 H GLY A 352 24.131 -2.736 12.134 1.00 0.00 H new ATOM 0 HA2 GLY A 352 22.425 -3.806 13.768 1.00 0.00 H new ATOM 0 HA3 GLY A 352 22.210 -2.155 14.313 1.00 0.00 H new ATOM 257 N ILE A 353 21.741 -1.327 11.677 1.00 0.00 N ATOM 258 CA ILE A 353 20.933 -0.953 10.527 1.00 0.00 C ATOM 259 C ILE A 353 21.628 -1.393 9.244 1.00 0.00 C ATOM 260 O ILE A 353 20.987 -1.852 8.300 1.00 0.00 O ATOM 261 CB ILE A 353 20.726 0.562 10.504 1.00 0.00 C ATOM 262 CG1 ILE A 353 19.950 0.991 11.751 1.00 0.00 C ATOM 263 CG2 ILE A 353 19.935 0.950 9.253 1.00 0.00 C ATOM 264 CD1 ILE A 353 20.640 2.195 12.393 1.00 0.00 C ATOM 0 H ILE A 353 22.423 -0.624 11.962 1.00 0.00 H new ATOM 0 HA ILE A 353 19.963 -1.445 10.600 1.00 0.00 H new ATOM 0 HB ILE A 353 21.695 1.060 10.490 1.00 0.00 H new ATOM 0 HG12 ILE A 353 18.924 1.246 11.484 1.00 0.00 H new ATOM 0 HG13 ILE A 353 19.899 0.166 12.462 1.00 0.00 H new ATOM 0 HG21 ILE A 353 19.787 2.030 9.236 1.00 0.00 H new ATOM 0 HG22 ILE A 353 20.488 0.646 8.364 1.00 0.00 H new ATOM 0 HG23 ILE A 353 18.966 0.451 9.266 1.00 0.00 H new ATOM 0 HD11 ILE A 353 20.087 2.500 13.281 1.00 0.00 H new ATOM 0 HD12 ILE A 353 21.658 1.924 12.674 1.00 0.00 H new ATOM 0 HD13 ILE A 353 20.668 3.020 11.682 1.00 0.00 H new ATOM 276 N MET A 354 22.948 -1.254 9.227 1.00 0.00 N ATOM 277 CA MET A 354 23.744 -1.637 8.067 1.00 0.00 C ATOM 278 C MET A 354 23.817 -3.153 7.944 1.00 0.00 C ATOM 279 O MET A 354 24.071 -3.690 6.866 1.00 0.00 O ATOM 280 CB MET A 354 25.159 -1.073 8.200 1.00 0.00 C ATOM 281 CG MET A 354 25.859 -1.733 9.390 1.00 0.00 C ATOM 282 SD MET A 354 26.626 -3.283 8.854 1.00 0.00 S ATOM 283 CE MET A 354 27.262 -3.794 10.469 1.00 0.00 C ATOM 0 H MET A 354 23.491 -0.878 10.005 1.00 0.00 H new ATOM 0 HA MET A 354 23.268 -1.232 7.174 1.00 0.00 H new ATOM 0 HB2 MET A 354 25.723 -1.256 7.285 1.00 0.00 H new ATOM 0 HB3 MET A 354 25.120 0.007 8.340 1.00 0.00 H new ATOM 0 HG2 MET A 354 26.615 -1.063 9.798 1.00 0.00 H new ATOM 0 HG3 MET A 354 25.141 -1.927 10.187 1.00 0.00 H new ATOM 0 HE1 MET A 354 27.929 -4.647 10.344 1.00 0.00 H new ATOM 0 HE2 MET A 354 27.810 -2.968 10.922 1.00 0.00 H new ATOM 0 HE3 MET A 354 26.430 -4.076 11.115 1.00 0.00 H new