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 -53:sc= 0.172 USER MOD Single : A 340 MET CE :methyl 149:sc= -1.51 (180deg=-4.28!) USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot 153:sc= 1.04 USER MOD Single : A 349 HIS : no HD1:sc= -3.62! C(o=-3.6!,f=-4.1!) USER MOD Single : A 351 SER OG : rot -69:sc= 1.17 USER MOD Single : A 354 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 7 N LYS A 337 36.557 9.543 -5.973 1.00 0.00 N ATOM 8 CA LYS A 337 36.243 9.208 -4.588 1.00 0.00 C ATOM 9 C LYS A 337 34.739 9.287 -4.331 1.00 0.00 C ATOM 10 O LYS A 337 34.306 9.467 -3.193 1.00 0.00 O ATOM 11 CB LYS A 337 36.991 10.154 -3.635 1.00 0.00 C ATOM 12 CG LYS A 337 36.363 11.558 -3.650 1.00 0.00 C ATOM 13 CD LYS A 337 36.227 12.062 -5.089 1.00 0.00 C ATOM 14 CE LYS A 337 36.003 13.576 -5.076 1.00 0.00 C ATOM 15 NZ LYS A 337 37.316 14.272 -4.970 1.00 0.00 N ATOM 0 HA LYS A 337 36.566 8.183 -4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 337 36.966 9.751 -2.623 1.00 0.00 H new ATOM 0 HB3 LYS A 337 38.039 10.217 -3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 337 35.384 11.531 -3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 337 36.980 12.246 -3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 337 37.125 11.821 -5.657 1.00 0.00 H new ATOM 0 HD3 LYS A 337 35.393 11.564 -5.584 1.00 0.00 H new ATOM 0 HE2 LYS A 337 35.488 13.886 -5.985 1.00 0.00 H new ATOM 0 HE3 LYS A 337 35.364 13.853 -4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 37.164 15.301 -4.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 37.791 13.985 -4.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 37.911 14.017 -5.784 1.00 0.00 H new ATOM 29 N SER A 338 33.947 9.148 -5.396 1.00 0.00 N ATOM 30 CA SER A 338 32.492 9.208 -5.274 1.00 0.00 C ATOM 31 C SER A 338 31.851 7.887 -5.696 1.00 0.00 C ATOM 32 O SER A 338 31.108 7.835 -6.676 1.00 0.00 O ATOM 33 CB SER A 338 31.948 10.337 -6.147 1.00 0.00 C ATOM 34 OG SER A 338 30.652 10.703 -5.690 1.00 0.00 O ATOM 0 H SER A 338 34.287 8.994 -6.345 1.00 0.00 H new ATOM 0 HA SER A 338 32.245 9.395 -4.229 1.00 0.00 H new ATOM 0 HB2 SER A 338 32.616 11.197 -6.107 1.00 0.00 H new ATOM 0 HB3 SER A 338 31.902 10.017 -7.188 1.00 0.00 H new ATOM 0 HG SER A 338 30.301 11.429 -6.248 1.00 0.00 H new ATOM 40 N TYR A 339 32.133 6.827 -4.945 1.00 0.00 N ATOM 41 CA TYR A 339 31.566 5.516 -5.250 1.00 0.00 C ATOM 42 C TYR A 339 32.119 4.450 -4.292 1.00 0.00 C ATOM 43 O TYR A 339 31.784 4.445 -3.107 1.00 0.00 O ATOM 44 CB TYR A 339 31.851 5.152 -6.716 1.00 0.00 C ATOM 45 CG TYR A 339 33.146 5.792 -7.180 1.00 0.00 C ATOM 46 CD1 TYR A 339 34.235 5.917 -6.308 1.00 0.00 C ATOM 47 CD2 TYR A 339 33.244 6.261 -8.495 1.00 0.00 C ATOM 48 CE1 TYR A 339 35.421 6.510 -6.752 1.00 0.00 C ATOM 49 CE2 TYR A 339 34.432 6.855 -8.939 1.00 0.00 C ATOM 50 CZ TYR A 339 35.521 6.980 -8.068 1.00 0.00 C ATOM 51 OH TYR A 339 36.691 7.563 -8.506 1.00 0.00 O ATOM 0 H TYR A 339 32.744 6.848 -4.129 1.00 0.00 H new ATOM 0 HA TYR A 339 30.486 5.554 -5.110 1.00 0.00 H new ATOM 0 HB2 TYR A 339 31.915 4.069 -6.822 1.00 0.00 H new ATOM 0 HB3 TYR A 339 31.027 5.486 -7.347 1.00 0.00 H new ATOM 0 HD1 TYR A 339 34.159 5.556 -5.293 1.00 0.00 H new ATOM 0 HD2 TYR A 339 32.404 6.165 -9.167 1.00 0.00 H new ATOM 0 HE1 TYR A 339 36.261 6.606 -6.080 1.00 0.00 H new ATOM 0 HE2 TYR A 339 34.508 7.217 -9.954 1.00 0.00 H new ATOM 0 HH TYR A 339 36.949 8.280 -7.890 1.00 0.00 H new ATOM 61 N MET A 340 32.970 3.559 -4.800 1.00 0.00 N ATOM 62 CA MET A 340 33.555 2.512 -3.970 1.00 0.00 C ATOM 63 C MET A 340 34.409 3.126 -2.867 1.00 0.00 C ATOM 64 O MET A 340 34.952 2.419 -2.019 1.00 0.00 O ATOM 65 CB MET A 340 34.420 1.591 -4.832 1.00 0.00 C ATOM 66 CG MET A 340 35.653 2.357 -5.315 1.00 0.00 C ATOM 67 SD MET A 340 36.006 1.914 -7.035 1.00 0.00 S ATOM 68 CE MET A 340 36.338 3.586 -7.644 1.00 0.00 C ATOM 0 H MET A 340 33.267 3.543 -5.776 1.00 0.00 H new ATOM 0 HA MET A 340 32.749 1.936 -3.515 1.00 0.00 H new ATOM 0 HB2 MET A 340 34.724 0.716 -4.257 1.00 0.00 H new ATOM 0 HB3 MET A 340 33.846 1.228 -5.685 1.00 0.00 H new ATOM 0 HG2 MET A 340 35.482 3.430 -5.233 1.00 0.00 H new ATOM 0 HG3 MET A 340 36.510 2.121 -4.685 1.00 0.00 H new ATOM 0 HE1 MET A 340 37.069 3.541 -8.451 1.00 0.00 H new ATOM 0 HE2 MET A 340 35.414 4.028 -8.016 1.00 0.00 H new ATOM 0 HE3 MET A 340 36.732 4.197 -6.832 1.00 0.00 H new ATOM 78 N ALA A 341 34.524 4.446 -2.894 1.00 0.00 N ATOM 79 CA ALA A 341 35.317 5.157 -1.902 1.00 0.00 C ATOM 80 C ALA A 341 34.448 5.623 -0.739 1.00 0.00 C ATOM 81 O ALA A 341 34.912 5.711 0.397 1.00 0.00 O ATOM 82 CB ALA A 341 35.980 6.371 -2.551 1.00 0.00 C ATOM 0 H ALA A 341 34.080 5.045 -3.590 1.00 0.00 H new ATOM 0 HA ALA A 341 36.076 4.475 -1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 341 36.573 6.903 -1.807 1.00 0.00 H new ATOM 0 HB2 ALA A 341 36.627 6.041 -3.363 1.00 0.00 H new ATOM 0 HB3 ALA A 341 35.213 7.037 -2.946 1.00 0.00 H new ATOM 88 N TYR A 342 33.191 5.940 -1.032 1.00 0.00 N ATOM 89 CA TYR A 342 32.279 6.416 -0.001 1.00 0.00 C ATOM 90 C TYR A 342 31.418 5.282 0.555 1.00 0.00 C ATOM 91 O TYR A 342 31.290 5.137 1.770 1.00 0.00 O ATOM 92 CB TYR A 342 31.389 7.522 -0.570 1.00 0.00 C ATOM 93 CG TYR A 342 30.073 6.932 -1.007 1.00 0.00 C ATOM 94 CD1 TYR A 342 29.021 6.799 -0.094 1.00 0.00 C ATOM 95 CD2 TYR A 342 29.908 6.511 -2.331 1.00 0.00 C ATOM 96 CE1 TYR A 342 27.803 6.243 -0.505 1.00 0.00 C ATOM 97 CE2 TYR A 342 28.691 5.955 -2.743 1.00 0.00 C ATOM 98 CZ TYR A 342 27.638 5.822 -1.829 1.00 0.00 C ATOM 99 OH TYR A 342 26.438 5.273 -2.235 1.00 0.00 O ATOM 0 H TYR A 342 32.785 5.877 -1.965 1.00 0.00 H new ATOM 0 HA TYR A 342 32.875 6.813 0.821 1.00 0.00 H new ATOM 0 HB2 TYR A 342 31.222 8.293 0.183 1.00 0.00 H new ATOM 0 HB3 TYR A 342 31.883 8.003 -1.415 1.00 0.00 H new ATOM 0 HD1 TYR A 342 29.148 7.125 0.928 1.00 0.00 H new ATOM 0 HD2 TYR A 342 30.720 6.615 -3.036 1.00 0.00 H new ATOM 0 HE1 TYR A 342 26.991 6.139 0.200 1.00 0.00 H new ATOM 0 HE2 TYR A 342 28.564 5.629 -3.765 1.00 0.00 H new ATOM 0 HH TYR A 342 26.492 5.035 -3.184 1.00 0.00 H new ATOM 109 N LEU A 343 30.823 4.483 -0.331 1.00 0.00 N ATOM 110 CA LEU A 343 29.977 3.383 0.119 1.00 0.00 C ATOM 111 C LEU A 343 30.805 2.369 0.899 1.00 0.00 C ATOM 112 O LEU A 343 30.262 1.537 1.627 1.00 0.00 O ATOM 113 CB LEU A 343 29.281 2.707 -1.072 1.00 0.00 C ATOM 114 CG LEU A 343 30.278 1.852 -1.866 1.00 0.00 C ATOM 115 CD1 LEU A 343 30.193 0.382 -1.428 1.00 0.00 C ATOM 116 CD2 LEU A 343 29.934 1.945 -3.354 1.00 0.00 C ATOM 0 H LEU A 343 30.909 4.575 -1.343 1.00 0.00 H new ATOM 0 HA LEU A 343 29.207 3.787 0.776 1.00 0.00 H new ATOM 0 HB2 LEU A 343 28.462 2.083 -0.715 1.00 0.00 H new ATOM 0 HB3 LEU A 343 28.844 3.465 -1.723 1.00 0.00 H new ATOM 0 HG LEU A 343 31.287 2.220 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 343 30.906 -0.210 -2.001 1.00 0.00 H new ATOM 0 HD12 LEU A 343 30.427 0.305 -0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 343 29.185 0.007 -1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 343 30.636 1.341 -3.928 1.00 0.00 H new ATOM 0 HD22 LEU A 343 28.921 1.577 -3.517 1.00 0.00 H new ATOM 0 HD23 LEU A 343 29.999 2.984 -3.678 1.00 0.00 H new ATOM 128 N SER A 344 32.122 2.453 0.753 1.00 0.00 N ATOM 129 CA SER A 344 33.017 1.548 1.461 1.00 0.00 C ATOM 130 C SER A 344 33.418 2.157 2.800 1.00 0.00 C ATOM 131 O SER A 344 34.175 1.560 3.566 1.00 0.00 O ATOM 132 CB SER A 344 34.267 1.284 0.621 1.00 0.00 C ATOM 133 OG SER A 344 33.882 0.727 -0.630 1.00 0.00 O ATOM 0 H SER A 344 32.591 3.134 0.155 1.00 0.00 H new ATOM 0 HA SER A 344 32.499 0.605 1.636 1.00 0.00 H new ATOM 0 HB2 SER A 344 34.817 2.212 0.465 1.00 0.00 H new ATOM 0 HB3 SER A 344 34.935 0.601 1.146 1.00 0.00 H new ATOM 0 HG SER A 344 34.558 0.943 -1.306 1.00 0.00 H new ATOM 139 N ALA A 345 32.901 3.354 3.068 1.00 0.00 N ATOM 140 CA ALA A 345 33.202 4.055 4.311 1.00 0.00 C ATOM 141 C ALA A 345 31.947 4.187 5.170 1.00 0.00 C ATOM 142 O ALA A 345 31.964 4.837 6.214 1.00 0.00 O ATOM 143 CB ALA A 345 33.752 5.449 3.999 1.00 0.00 C ATOM 0 H ALA A 345 32.273 3.857 2.441 1.00 0.00 H new ATOM 0 HA ALA A 345 33.947 3.480 4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 345 33.975 5.969 4.931 1.00 0.00 H new ATOM 0 HB2 ALA A 345 34.663 5.357 3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 345 33.010 6.015 3.436 1.00 0.00 H new ATOM 149 N GLU A 346 30.861 3.569 4.719 1.00 0.00 N ATOM 150 CA GLU A 346 29.601 3.628 5.452 1.00 0.00 C ATOM 151 C GLU A 346 28.928 2.259 5.475 1.00 0.00 C ATOM 152 O GLU A 346 27.836 2.084 4.935 1.00 0.00 O ATOM 153 CB GLU A 346 28.667 4.645 4.796 1.00 0.00 C ATOM 154 CG GLU A 346 28.489 4.286 3.320 1.00 0.00 C ATOM 155 CD GLU A 346 27.006 4.126 2.999 1.00 0.00 C ATOM 156 OE1 GLU A 346 26.320 3.478 3.771 1.00 0.00 O ATOM 157 OE2 GLU A 346 26.579 4.657 1.987 1.00 0.00 O ATOM 0 H GLU A 346 30.827 3.026 3.857 1.00 0.00 H new ATOM 0 HA GLU A 346 29.812 3.933 6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 346 27.701 4.648 5.301 1.00 0.00 H new ATOM 0 HB3 GLU A 346 29.079 5.649 4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 346 28.924 5.064 2.693 1.00 0.00 H new ATOM 0 HG3 GLU A 346 29.020 3.361 3.095 1.00 0.00 H new ATOM 164 N LEU A 347 29.587 1.294 6.102 1.00 0.00 N ATOM 165 CA LEU A 347 29.045 -0.057 6.190 1.00 0.00 C ATOM 166 C LEU A 347 29.281 -0.637 7.580 1.00 0.00 C ATOM 167 O LEU A 347 28.976 -1.801 7.839 1.00 0.00 O ATOM 168 CB LEU A 347 29.710 -0.951 5.141 1.00 0.00 C ATOM 169 CG LEU A 347 31.224 -0.933 5.346 1.00 0.00 C ATOM 170 CD1 LEU A 347 31.705 -2.332 5.737 1.00 0.00 C ATOM 171 CD2 LEU A 347 31.908 -0.504 4.046 1.00 0.00 C ATOM 0 H LEU A 347 30.492 1.419 6.555 1.00 0.00 H new ATOM 0 HA LEU A 347 27.972 -0.014 6.005 1.00 0.00 H new ATOM 0 HB2 LEU A 347 29.333 -1.970 5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 347 29.463 -0.600 4.139 1.00 0.00 H new ATOM 0 HG LEU A 347 31.474 -0.229 6.140 1.00 0.00 H new ATOM 0 HD11 LEU A 347 32.785 -2.318 5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 347 31.218 -2.639 6.663 1.00 0.00 H new ATOM 0 HD13 LEU A 347 31.455 -3.037 4.944 1.00 0.00 H new ATOM 0 HD21 LEU A 347 32.988 -0.491 4.191 1.00 0.00 H new ATOM 0 HD22 LEU A 347 31.657 -1.208 3.253 1.00 0.00 H new ATOM 0 HD23 LEU A 347 31.567 0.493 3.767 1.00 0.00 H new ATOM 183 N PHE A 348 29.832 0.183 8.470 1.00 0.00 N ATOM 184 CA PHE A 348 30.114 -0.256 9.830 1.00 0.00 C ATOM 185 C PHE A 348 29.891 0.884 10.818 1.00 0.00 C ATOM 186 O PHE A 348 30.005 0.700 12.029 1.00 0.00 O ATOM 187 CB PHE A 348 31.564 -0.739 9.922 1.00 0.00 C ATOM 188 CG PHE A 348 32.378 -0.110 8.812 1.00 0.00 C ATOM 189 CD1 PHE A 348 32.285 1.266 8.568 1.00 0.00 C ATOM 190 CD2 PHE A 348 33.223 -0.904 8.028 1.00 0.00 C ATOM 191 CE1 PHE A 348 33.037 1.847 7.540 1.00 0.00 C ATOM 192 CE2 PHE A 348 33.976 -0.323 7.000 1.00 0.00 C ATOM 193 CZ PHE A 348 33.883 1.052 6.757 1.00 0.00 C ATOM 0 H PHE A 348 30.090 1.150 8.274 1.00 0.00 H new ATOM 0 HA PHE A 348 29.438 -1.073 10.081 1.00 0.00 H new ATOM 0 HB2 PHE A 348 31.986 -0.474 10.892 1.00 0.00 H new ATOM 0 HB3 PHE A 348 31.602 -1.826 9.844 1.00 0.00 H new ATOM 0 HD1 PHE A 348 31.633 1.879 9.173 1.00 0.00 H new ATOM 0 HD2 PHE A 348 33.294 -1.965 8.216 1.00 0.00 H new ATOM 0 HE1 PHE A 348 32.965 2.908 7.351 1.00 0.00 H new ATOM 0 HE2 PHE A 348 34.628 -0.936 6.395 1.00 0.00 H new ATOM 0 HZ PHE A 348 34.464 1.500 5.965 1.00 0.00 H new ATOM 203 N HIS A 349 29.580 2.063 10.289 1.00 0.00 N ATOM 204 CA HIS A 349 29.353 3.226 11.132 1.00 0.00 C ATOM 205 C HIS A 349 28.203 2.960 12.100 1.00 0.00 C ATOM 206 O HIS A 349 28.324 3.203 13.300 1.00 0.00 O ATOM 207 CB HIS A 349 29.047 4.448 10.262 1.00 0.00 C ATOM 208 CG HIS A 349 27.723 4.267 9.575 1.00 0.00 C ATOM 209 ND1 HIS A 349 26.549 4.814 10.072 1.00 0.00 N ATOM 210 CD2 HIS A 349 27.370 3.610 8.423 1.00 0.00 C ATOM 211 CE1 HIS A 349 25.557 4.478 9.229 1.00 0.00 C ATOM 212 NE2 HIS A 349 26.002 3.744 8.205 1.00 0.00 N ATOM 0 H HIS A 349 29.481 2.236 9.289 1.00 0.00 H new ATOM 0 HA HIS A 349 30.254 3.425 11.713 1.00 0.00 H new ATOM 0 HB2 HIS A 349 29.028 5.348 10.877 1.00 0.00 H new ATOM 0 HB3 HIS A 349 29.835 4.585 9.522 1.00 0.00 H new ATOM 0 HD2 HIS A 349 28.051 3.070 7.782 1.00 0.00 H new ATOM 0 HE1 HIS A 349 24.525 4.767 9.363 1.00 0.00 H new ATOM 0 HE2 HIS A 349 25.457 3.364 7.431 1.00 0.00 H new ATOM 220 N LEU A 350 27.097 2.447 11.566 1.00 0.00 N ATOM 221 CA LEU A 350 25.929 2.130 12.375 1.00 0.00 C ATOM 222 C LEU A 350 26.337 1.583 13.740 1.00 0.00 C ATOM 223 O LEU A 350 25.855 2.041 14.769 1.00 0.00 O ATOM 224 CB LEU A 350 25.052 1.091 11.654 1.00 0.00 C ATOM 225 CG LEU A 350 25.920 0.115 10.847 1.00 0.00 C ATOM 226 CD1 LEU A 350 25.339 -1.295 10.967 1.00 0.00 C ATOM 227 CD2 LEU A 350 25.927 0.530 9.374 1.00 0.00 C ATOM 0 H LEU A 350 26.988 2.242 10.573 1.00 0.00 H new ATOM 0 HA LEU A 350 25.365 3.051 12.521 1.00 0.00 H new ATOM 0 HB2 LEU A 350 24.458 0.540 12.383 1.00 0.00 H new ATOM 0 HB3 LEU A 350 24.351 1.597 10.990 1.00 0.00 H new ATOM 0 HG LEU A 350 26.938 0.131 11.235 1.00 0.00 H new ATOM 0 HD11 LEU A 350 25.953 -1.991 10.395 1.00 0.00 H new ATOM 0 HD12 LEU A 350 25.329 -1.596 12.014 1.00 0.00 H new ATOM 0 HD13 LEU A 350 24.321 -1.304 10.577 1.00 0.00 H new ATOM 0 HD21 LEU A 350 26.544 -0.164 8.803 1.00 0.00 H new ATOM 0 HD22 LEU A 350 24.908 0.513 8.986 1.00 0.00 H new ATOM 0 HD23 LEU A 350 26.334 1.537 9.282 1.00 0.00 H new ATOM 239 N SER A 351 27.214 0.589 13.743 1.00 0.00 N ATOM 240 CA SER A 351 27.653 -0.023 14.993 1.00 0.00 C ATOM 241 C SER A 351 28.315 0.989 15.926 1.00 0.00 C ATOM 242 O SER A 351 29.535 0.978 16.096 1.00 0.00 O ATOM 243 CB SER A 351 28.631 -1.159 14.697 1.00 0.00 C ATOM 244 OG SER A 351 29.401 -1.430 15.861 1.00 0.00 O ATOM 0 H SER A 351 27.634 0.191 12.903 1.00 0.00 H new ATOM 0 HA SER A 351 26.768 -0.411 15.497 1.00 0.00 H new ATOM 0 HB2 SER A 351 28.087 -2.052 14.391 1.00 0.00 H new ATOM 0 HB3 SER A 351 29.285 -0.885 13.870 1.00 0.00 H new ATOM 0 HG SER A 351 30.010 -0.682 16.032 1.00 0.00 H new ATOM 250 N GLY A 352 27.510 1.858 16.537 1.00 0.00 N ATOM 251 CA GLY A 352 28.042 2.856 17.456 1.00 0.00 C ATOM 252 C GLY A 352 27.289 4.157 17.280 1.00 0.00 C ATOM 253 O GLY A 352 26.998 4.866 18.244 1.00 0.00 O ATOM 0 H GLY A 352 26.498 1.889 16.412 1.00 0.00 H new ATOM 0 HA2 GLY A 352 27.949 2.506 18.484 1.00 0.00 H new ATOM 0 HA3 GLY A 352 29.104 3.010 17.267 1.00 0.00 H new ATOM 257 N ILE A 353 26.969 4.448 16.033 1.00 0.00 N ATOM 258 CA ILE A 353 26.233 5.648 15.694 1.00 0.00 C ATOM 259 C ILE A 353 24.748 5.323 15.584 1.00 0.00 C ATOM 260 O ILE A 353 23.896 6.205 15.667 1.00 0.00 O ATOM 261 CB ILE A 353 26.755 6.188 14.365 1.00 0.00 C ATOM 262 CG1 ILE A 353 28.093 6.897 14.603 1.00 0.00 C ATOM 263 CG2 ILE A 353 25.750 7.176 13.774 1.00 0.00 C ATOM 264 CD1 ILE A 353 29.058 6.567 13.465 1.00 0.00 C ATOM 0 H ILE A 353 27.210 3.863 15.233 1.00 0.00 H new ATOM 0 HA ILE A 353 26.369 6.401 16.470 1.00 0.00 H new ATOM 0 HB ILE A 353 26.893 5.363 13.667 1.00 0.00 H new ATOM 0 HG12 ILE A 353 27.940 7.975 14.662 1.00 0.00 H new ATOM 0 HG13 ILE A 353 28.518 6.583 15.556 1.00 0.00 H new ATOM 0 HG21 ILE A 353 26.129 7.557 12.826 1.00 0.00 H new ATOM 0 HG22 ILE A 353 24.798 6.671 13.608 1.00 0.00 H new ATOM 0 HG23 ILE A 353 25.605 8.005 14.466 1.00 0.00 H new ATOM 0 HD11 ILE A 353 30.009 7.072 13.636 1.00 0.00 H new ATOM 0 HD12 ILE A 353 29.221 5.490 13.427 1.00 0.00 H new ATOM 0 HD13 ILE A 353 28.634 6.903 12.519 1.00 0.00 H new ATOM 276 N MET A 354 24.457 4.039 15.400 1.00 0.00 N ATOM 277 CA MET A 354 23.082 3.575 15.271 1.00 0.00 C ATOM 278 C MET A 354 22.362 3.616 16.616 1.00 0.00 C ATOM 279 O MET A 354 21.170 3.913 16.689 1.00 0.00 O ATOM 280 CB MET A 354 23.055 2.146 14.734 1.00 0.00 C ATOM 281 CG MET A 354 23.552 1.175 15.809 1.00 0.00 C ATOM 282 SD MET A 354 22.157 0.641 16.832 1.00 0.00 S ATOM 283 CE MET A 354 21.687 -0.799 15.842 1.00 0.00 C ATOM 0 H MET A 354 25.158 3.300 15.337 1.00 0.00 H new ATOM 0 HA MET A 354 22.570 4.240 14.575 1.00 0.00 H new ATOM 0 HB2 MET A 354 22.042 1.881 14.433 1.00 0.00 H new ATOM 0 HB3 MET A 354 23.682 2.070 13.846 1.00 0.00 H new ATOM 0 HG2 MET A 354 24.026 0.311 15.343 1.00 0.00 H new ATOM 0 HG3 MET A 354 24.308 1.658 16.429 1.00 0.00 H new ATOM 0 HE1 MET A 354 20.828 -1.290 16.299 1.00 0.00 H new ATOM 0 HE2 MET A 354 21.427 -0.478 14.833 1.00 0.00 H new ATOM 0 HE3 MET A 354 22.523 -1.497 15.796 1.00 0.00 H new