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+ -158:sc= -0.0395 (180deg=-0.635) USER MOD Single : A 338 SER OG : rot 64:sc= 0.273 USER MOD Single : A 339 TYR OH : rot -52:sc= 0.208 USER MOD Single : A 340 MET CE :methyl 146:sc= -1.18 (180deg=-4.31!) USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot -45:sc= 0.306 USER MOD Single : A 349 HIS : no HE2:sc= -2.37 K(o=-2.4,f=-3.2) USER MOD Single : A 351 SER OG : rot 69:sc= 1.03 USER MOD Single : A 354 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 7 N LYS A 337 36.621 9.484 -6.048 1.00 0.00 N ATOM 8 CA LYS A 337 36.297 9.162 -4.662 1.00 0.00 C ATOM 9 C LYS A 337 34.791 9.258 -4.411 1.00 0.00 C ATOM 10 O LYS A 337 34.356 9.442 -3.274 1.00 0.00 O ATOM 11 CB LYS A 337 37.048 10.109 -3.713 1.00 0.00 C ATOM 12 CG LYS A 337 36.426 11.515 -3.737 1.00 0.00 C ATOM 13 CD LYS A 337 36.283 12.007 -5.180 1.00 0.00 C ATOM 14 CE LYS A 337 36.052 13.519 -5.179 1.00 0.00 C ATOM 15 NZ LYS A 337 35.080 13.873 -4.106 1.00 0.00 N ATOM 0 HA LYS A 337 36.609 8.135 -4.470 1.00 0.00 H new ATOM 0 HB2 LYS A 337 37.020 9.712 -2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 337 38.097 10.166 -4.004 1.00 0.00 H new ATOM 0 HG2 LYS A 337 35.449 11.497 -3.253 1.00 0.00 H new ATOM 0 HG3 LYS A 337 37.050 12.206 -3.170 1.00 0.00 H new ATOM 0 HD2 LYS A 337 37.181 11.765 -5.749 1.00 0.00 H new ATOM 0 HD3 LYS A 337 35.450 11.501 -5.668 1.00 0.00 H new ATOM 0 HE2 LYS A 337 36.995 14.041 -5.017 1.00 0.00 H new ATOM 0 HE3 LYS A 337 35.672 13.840 -6.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 34.641 14.790 -4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 34.344 13.141 -4.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 35.577 13.936 -3.194 1.00 0.00 H new ATOM 29 N SER A 338 34.001 9.130 -5.478 1.00 0.00 N ATOM 30 CA SER A 338 32.546 9.209 -5.359 1.00 0.00 C ATOM 31 C SER A 338 31.888 7.894 -5.769 1.00 0.00 C ATOM 32 O SER A 338 31.149 7.841 -6.753 1.00 0.00 O ATOM 33 CB SER A 338 32.014 10.338 -6.241 1.00 0.00 C ATOM 34 OG SER A 338 32.451 10.134 -7.579 1.00 0.00 O ATOM 0 H SER A 338 34.341 8.972 -6.427 1.00 0.00 H new ATOM 0 HA SER A 338 32.303 9.408 -4.315 1.00 0.00 H new ATOM 0 HB2 SER A 338 30.925 10.363 -6.202 1.00 0.00 H new ATOM 0 HB3 SER A 338 32.369 11.301 -5.873 1.00 0.00 H new ATOM 0 HG SER A 338 32.067 9.302 -7.925 1.00 0.00 H new ATOM 40 N TYR A 339 32.151 6.837 -5.006 1.00 0.00 N ATOM 41 CA TYR A 339 31.568 5.531 -5.299 1.00 0.00 C ATOM 42 C TYR A 339 32.103 4.469 -4.327 1.00 0.00 C ATOM 43 O TYR A 339 31.761 4.481 -3.144 1.00 0.00 O ATOM 44 CB TYR A 339 31.850 5.143 -6.760 1.00 0.00 C ATOM 45 CG TYR A 339 33.147 5.770 -7.230 1.00 0.00 C ATOM 46 CD1 TYR A 339 34.240 5.888 -6.362 1.00 0.00 C ATOM 47 CD2 TYR A 339 33.246 6.237 -8.546 1.00 0.00 C ATOM 48 CE1 TYR A 339 35.430 6.473 -6.810 1.00 0.00 C ATOM 49 CE2 TYR A 339 34.436 6.822 -8.994 1.00 0.00 C ATOM 50 CZ TYR A 339 35.528 6.940 -8.125 1.00 0.00 C ATOM 51 OH TYR A 339 36.702 7.514 -8.568 1.00 0.00 O ATOM 0 H TYR A 339 32.759 6.858 -4.187 1.00 0.00 H new ATOM 0 HA TYR A 339 30.488 5.588 -5.164 1.00 0.00 H new ATOM 0 HB2 TYR A 339 31.909 4.058 -6.850 1.00 0.00 H new ATOM 0 HB3 TYR A 339 31.028 5.472 -7.396 1.00 0.00 H new ATOM 0 HD1 TYR A 339 34.164 5.527 -5.347 1.00 0.00 H new ATOM 0 HD2 TYR A 339 32.404 6.146 -9.216 1.00 0.00 H new ATOM 0 HE1 TYR A 339 36.273 6.564 -6.140 1.00 0.00 H new ATOM 0 HE2 TYR A 339 34.512 7.182 -10.009 1.00 0.00 H new ATOM 0 HH TYR A 339 36.971 8.227 -7.951 1.00 0.00 H new ATOM 61 N MET A 340 32.943 3.561 -4.820 1.00 0.00 N ATOM 62 CA MET A 340 33.509 2.513 -3.977 1.00 0.00 C ATOM 63 C MET A 340 34.377 3.119 -2.883 1.00 0.00 C ATOM 64 O MET A 340 34.898 2.410 -2.022 1.00 0.00 O ATOM 65 CB MET A 340 34.353 1.562 -4.828 1.00 0.00 C ATOM 66 CG MET A 340 35.594 2.300 -5.332 1.00 0.00 C ATOM 67 SD MET A 340 35.908 1.846 -7.057 1.00 0.00 S ATOM 68 CE MET A 340 36.323 3.501 -7.662 1.00 0.00 C ATOM 0 H MET A 340 33.245 3.531 -5.794 1.00 0.00 H new ATOM 0 HA MET A 340 32.691 1.961 -3.514 1.00 0.00 H new ATOM 0 HB2 MET A 340 34.647 0.693 -4.239 1.00 0.00 H new ATOM 0 HB3 MET A 340 33.768 1.193 -5.671 1.00 0.00 H new ATOM 0 HG2 MET A 340 35.448 3.377 -5.249 1.00 0.00 H new ATOM 0 HG3 MET A 340 36.456 2.047 -4.715 1.00 0.00 H new ATOM 0 HE1 MET A 340 37.083 3.424 -8.440 1.00 0.00 H new ATOM 0 HE2 MET A 340 35.430 3.973 -8.072 1.00 0.00 H new ATOM 0 HE3 MET A 340 36.706 4.104 -6.839 1.00 0.00 H new ATOM 78 N ALA A 341 34.532 4.434 -2.930 1.00 0.00 N ATOM 79 CA ALA A 341 35.345 5.136 -1.947 1.00 0.00 C ATOM 80 C ALA A 341 34.492 5.622 -0.783 1.00 0.00 C ATOM 81 O ALA A 341 34.973 5.738 0.344 1.00 0.00 O ATOM 82 CB ALA A 341 36.021 6.336 -2.608 1.00 0.00 C ATOM 0 H ALA A 341 34.107 5.035 -3.636 1.00 0.00 H new ATOM 0 HA ALA A 341 36.096 4.444 -1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 341 36.630 6.862 -1.872 1.00 0.00 H new ATOM 0 HB2 ALA A 341 36.656 5.992 -3.425 1.00 0.00 H new ATOM 0 HB3 ALA A 341 35.261 7.012 -2.999 1.00 0.00 H new ATOM 88 N TYR A 342 33.230 5.923 -1.063 1.00 0.00 N ATOM 89 CA TYR A 342 32.330 6.417 -0.029 1.00 0.00 C ATOM 90 C TYR A 342 31.479 5.289 0.554 1.00 0.00 C ATOM 91 O TYR A 342 31.359 5.166 1.773 1.00 0.00 O ATOM 92 CB TYR A 342 31.433 7.511 -0.609 1.00 0.00 C ATOM 93 CG TYR A 342 30.120 6.910 -1.036 1.00 0.00 C ATOM 94 CD1 TYR A 342 29.077 6.764 -0.114 1.00 0.00 C ATOM 95 CD2 TYR A 342 29.946 6.493 -2.361 1.00 0.00 C ATOM 96 CE1 TYR A 342 27.861 6.199 -0.517 1.00 0.00 C ATOM 97 CE2 TYR A 342 28.730 5.928 -2.764 1.00 0.00 C ATOM 98 CZ TYR A 342 27.687 5.782 -1.842 1.00 0.00 C ATOM 99 OH TYR A 342 26.488 5.225 -2.239 1.00 0.00 O ATOM 0 H TYR A 342 32.810 5.835 -1.988 1.00 0.00 H new ATOM 0 HA TYR A 342 32.931 6.831 0.780 1.00 0.00 H new ATOM 0 HB2 TYR A 342 31.264 8.290 0.135 1.00 0.00 H new ATOM 0 HB3 TYR A 342 31.922 7.984 -1.460 1.00 0.00 H new ATOM 0 HD1 TYR A 342 29.210 7.087 0.908 1.00 0.00 H new ATOM 0 HD2 TYR A 342 30.750 6.607 -3.073 1.00 0.00 H new ATOM 0 HE1 TYR A 342 27.057 6.085 0.195 1.00 0.00 H new ATOM 0 HE2 TYR A 342 28.597 5.605 -3.786 1.00 0.00 H new ATOM 0 HH TYR A 342 26.535 4.992 -3.190 1.00 0.00 H new ATOM 109 N LEU A 343 30.885 4.470 -0.312 1.00 0.00 N ATOM 110 CA LEU A 343 30.049 3.370 0.159 1.00 0.00 C ATOM 111 C LEU A 343 30.876 2.398 0.992 1.00 0.00 C ATOM 112 O LEU A 343 30.335 1.632 1.789 1.00 0.00 O ATOM 113 CB LEU A 343 29.397 2.641 -1.026 1.00 0.00 C ATOM 114 CG LEU A 343 30.406 1.706 -1.708 1.00 0.00 C ATOM 115 CD1 LEU A 343 30.276 0.278 -1.161 1.00 0.00 C ATOM 116 CD2 LEU A 343 30.126 1.684 -3.211 1.00 0.00 C ATOM 0 H LEU A 343 30.965 4.545 -1.326 1.00 0.00 H new ATOM 0 HA LEU A 343 29.258 3.781 0.786 1.00 0.00 H new ATOM 0 HB2 LEU A 343 28.538 2.067 -0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 343 29.023 3.369 -1.746 1.00 0.00 H new ATOM 0 HG LEU A 343 31.413 2.072 -1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 343 31.000 -0.369 -1.657 1.00 0.00 H new ATOM 0 HD12 LEU A 343 30.467 0.281 -0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 343 29.269 -0.093 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 343 30.838 1.022 -3.704 1.00 0.00 H new ATOM 0 HD22 LEU A 343 29.113 1.323 -3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 343 30.227 2.691 -3.615 1.00 0.00 H new ATOM 128 N SER A 344 32.190 2.440 0.807 1.00 0.00 N ATOM 129 CA SER A 344 33.085 1.565 1.553 1.00 0.00 C ATOM 130 C SER A 344 33.456 2.206 2.886 1.00 0.00 C ATOM 131 O SER A 344 34.226 1.643 3.663 1.00 0.00 O ATOM 132 CB SER A 344 34.351 1.297 0.741 1.00 0.00 C ATOM 133 OG SER A 344 35.061 0.210 1.323 1.00 0.00 O ATOM 0 H SER A 344 32.657 3.066 0.151 1.00 0.00 H new ATOM 0 HA SER A 344 32.574 0.621 1.742 1.00 0.00 H new ATOM 0 HB2 SER A 344 34.092 1.066 -0.292 1.00 0.00 H new ATOM 0 HB3 SER A 344 34.979 2.188 0.721 1.00 0.00 H new ATOM 0 HG SER A 344 35.097 0.326 2.295 1.00 0.00 H new ATOM 139 N ALA A 345 32.900 3.389 3.137 1.00 0.00 N ATOM 140 CA ALA A 345 33.172 4.115 4.374 1.00 0.00 C ATOM 141 C ALA A 345 31.893 4.296 5.184 1.00 0.00 C ATOM 142 O ALA A 345 31.875 5.024 6.176 1.00 0.00 O ATOM 143 CB ALA A 345 33.765 5.487 4.048 1.00 0.00 C ATOM 0 H ALA A 345 32.260 3.864 2.501 1.00 0.00 H new ATOM 0 HA ALA A 345 33.883 3.537 4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 345 33.967 6.026 4.974 1.00 0.00 H new ATOM 0 HB2 ALA A 345 34.694 5.359 3.493 1.00 0.00 H new ATOM 0 HB3 ALA A 345 33.057 6.055 3.444 1.00 0.00 H new ATOM 149 N GLU A 346 30.823 3.634 4.754 1.00 0.00 N ATOM 150 CA GLU A 346 29.545 3.736 5.450 1.00 0.00 C ATOM 151 C GLU A 346 28.830 2.389 5.466 1.00 0.00 C ATOM 152 O GLU A 346 27.716 2.260 4.958 1.00 0.00 O ATOM 153 CB GLU A 346 28.660 4.773 4.759 1.00 0.00 C ATOM 154 CG GLU A 346 28.593 4.462 3.265 1.00 0.00 C ATOM 155 CD GLU A 346 27.151 4.556 2.778 1.00 0.00 C ATOM 156 OE1 GLU A 346 26.530 5.578 3.021 1.00 0.00 O ATOM 157 OE2 GLU A 346 26.685 3.603 2.174 1.00 0.00 O ATOM 0 H GLU A 346 30.815 3.027 3.935 1.00 0.00 H new ATOM 0 HA GLU A 346 29.737 4.043 6.478 1.00 0.00 H new ATOM 0 HB2 GLU A 346 27.659 4.760 5.190 1.00 0.00 H new ATOM 0 HB3 GLU A 346 29.062 5.774 4.916 1.00 0.00 H new ATOM 0 HG2 GLU A 346 29.219 5.161 2.711 1.00 0.00 H new ATOM 0 HG3 GLU A 346 28.986 3.463 3.075 1.00 0.00 H new ATOM 164 N LEU A 347 29.478 1.390 6.053 1.00 0.00 N ATOM 165 CA LEU A 347 28.898 0.055 6.132 1.00 0.00 C ATOM 166 C LEU A 347 29.096 -0.528 7.527 1.00 0.00 C ATOM 167 O LEU A 347 28.724 -1.670 7.793 1.00 0.00 O ATOM 168 CB LEU A 347 29.554 -0.859 5.096 1.00 0.00 C ATOM 169 CG LEU A 347 31.070 -0.843 5.294 1.00 0.00 C ATOM 170 CD1 LEU A 347 31.556 -2.253 5.635 1.00 0.00 C ATOM 171 CD2 LEU A 347 31.747 -0.368 4.007 1.00 0.00 C ATOM 0 H LEU A 347 30.401 1.478 6.479 1.00 0.00 H new ATOM 0 HA LEU A 347 27.830 0.127 5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 347 29.173 -1.875 5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 347 29.304 -0.525 4.089 1.00 0.00 H new ATOM 0 HG LEU A 347 31.322 -0.165 6.110 1.00 0.00 H new ATOM 0 HD11 LEU A 347 32.637 -2.241 5.776 1.00 0.00 H new ATOM 0 HD12 LEU A 347 31.074 -2.592 6.552 1.00 0.00 H new ATOM 0 HD13 LEU A 347 31.304 -2.932 4.820 1.00 0.00 H new ATOM 0 HD21 LEU A 347 32.828 -0.356 4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 347 31.494 -1.046 3.191 1.00 0.00 H new ATOM 0 HD23 LEU A 347 31.402 0.637 3.764 1.00 0.00 H new ATOM 183 N PHE A 348 29.689 0.266 8.411 1.00 0.00 N ATOM 184 CA PHE A 348 29.941 -0.176 9.776 1.00 0.00 C ATOM 185 C PHE A 348 29.727 0.972 10.757 1.00 0.00 C ATOM 186 O PHE A 348 29.840 0.798 11.970 1.00 0.00 O ATOM 187 CB PHE A 348 31.379 -0.687 9.894 1.00 0.00 C ATOM 188 CG PHE A 348 32.226 -0.067 8.804 1.00 0.00 C ATOM 189 CD1 PHE A 348 32.175 1.314 8.578 1.00 0.00 C ATOM 190 CD2 PHE A 348 33.062 -0.873 8.023 1.00 0.00 C ATOM 191 CE1 PHE A 348 32.960 1.888 7.571 1.00 0.00 C ATOM 192 CE2 PHE A 348 33.846 -0.299 7.016 1.00 0.00 C ATOM 193 CZ PHE A 348 33.796 1.082 6.790 1.00 0.00 C ATOM 0 H PHE A 348 30.003 1.215 8.208 1.00 0.00 H new ATOM 0 HA PHE A 348 29.245 -0.979 10.017 1.00 0.00 H new ATOM 0 HB2 PHE A 348 31.786 -0.435 10.873 1.00 0.00 H new ATOM 0 HB3 PHE A 348 31.398 -1.774 9.810 1.00 0.00 H new ATOM 0 HD1 PHE A 348 31.530 1.936 9.181 1.00 0.00 H new ATOM 0 HD2 PHE A 348 33.102 -1.938 8.197 1.00 0.00 H new ATOM 0 HE1 PHE A 348 32.920 2.953 7.397 1.00 0.00 H new ATOM 0 HE2 PHE A 348 34.490 -0.922 6.413 1.00 0.00 H new ATOM 0 HZ PHE A 348 34.402 1.525 6.014 1.00 0.00 H new ATOM 203 N HIS A 349 29.431 2.151 10.218 1.00 0.00 N ATOM 204 CA HIS A 349 29.217 3.332 11.044 1.00 0.00 C ATOM 205 C HIS A 349 27.955 3.186 11.891 1.00 0.00 C ATOM 206 O HIS A 349 27.501 4.148 12.510 1.00 0.00 O ATOM 207 CB HIS A 349 29.109 4.575 10.163 1.00 0.00 C ATOM 208 CG HIS A 349 27.796 4.574 9.429 1.00 0.00 C ATOM 209 ND1 HIS A 349 26.741 5.393 9.800 1.00 0.00 N ATOM 210 CD2 HIS A 349 27.357 3.868 8.337 1.00 0.00 C ATOM 211 CE1 HIS A 349 25.729 5.162 8.946 1.00 0.00 C ATOM 212 NE2 HIS A 349 26.051 4.241 8.033 1.00 0.00 N ATOM 0 H HIS A 349 29.334 2.313 9.216 1.00 0.00 H new ATOM 0 HA HIS A 349 30.070 3.437 11.714 1.00 0.00 H new ATOM 0 HB2 HIS A 349 29.192 5.473 10.775 1.00 0.00 H new ATOM 0 HB3 HIS A 349 29.933 4.598 9.450 1.00 0.00 H new ATOM 0 HD1 HIS A 349 26.734 6.051 10.579 1.00 0.00 H new ATOM 0 HD2 HIS A 349 27.937 3.135 7.796 1.00 0.00 H new ATOM 0 HE1 HIS A 349 24.772 5.660 8.992 1.00 0.00 H new ATOM 220 N LEU A 350 27.394 1.981 11.905 1.00 0.00 N ATOM 221 CA LEU A 350 26.190 1.711 12.669 1.00 0.00 C ATOM 222 C LEU A 350 26.352 0.426 13.480 1.00 0.00 C ATOM 223 O LEU A 350 26.500 0.470 14.693 1.00 0.00 O ATOM 224 CB LEU A 350 24.977 1.590 11.732 1.00 0.00 C ATOM 225 CG LEU A 350 25.358 2.029 10.313 1.00 0.00 C ATOM 226 CD1 LEU A 350 26.274 0.986 9.667 1.00 0.00 C ATOM 227 CD2 LEU A 350 24.087 2.172 9.474 1.00 0.00 C ATOM 0 H LEU A 350 27.758 1.177 11.393 1.00 0.00 H new ATOM 0 HA LEU A 350 26.024 2.542 13.355 1.00 0.00 H new ATOM 0 HB2 LEU A 350 24.620 0.560 11.718 1.00 0.00 H new ATOM 0 HB3 LEU A 350 24.158 2.206 12.104 1.00 0.00 H new ATOM 0 HG LEU A 350 25.883 2.983 10.362 1.00 0.00 H new ATOM 0 HD11 LEU A 350 26.538 1.308 8.660 1.00 0.00 H new ATOM 0 HD12 LEU A 350 27.180 0.879 10.263 1.00 0.00 H new ATOM 0 HD13 LEU A 350 25.756 0.028 9.618 1.00 0.00 H new ATOM 0 HD21 LEU A 350 24.351 2.484 8.464 1.00 0.00 H new ATOM 0 HD22 LEU A 350 23.568 1.214 9.434 1.00 0.00 H new ATOM 0 HD23 LEU A 350 23.435 2.920 9.926 1.00 0.00 H new ATOM 239 N SER A 351 26.319 -0.717 12.805 1.00 0.00 N ATOM 240 CA SER A 351 26.455 -2.006 13.485 1.00 0.00 C ATOM 241 C SER A 351 27.631 -2.000 14.461 1.00 0.00 C ATOM 242 O SER A 351 28.729 -2.441 14.121 1.00 0.00 O ATOM 243 CB SER A 351 26.656 -3.116 12.453 1.00 0.00 C ATOM 244 OG SER A 351 27.988 -3.059 11.957 1.00 0.00 O ATOM 0 H SER A 351 26.200 -0.781 11.794 1.00 0.00 H new ATOM 0 HA SER A 351 25.541 -2.185 14.051 1.00 0.00 H new ATOM 0 HB2 SER A 351 26.465 -4.089 12.906 1.00 0.00 H new ATOM 0 HB3 SER A 351 25.945 -3.001 11.635 1.00 0.00 H new ATOM 0 HG SER A 351 28.612 -3.327 12.664 1.00 0.00 H new ATOM 250 N GLY A 352 27.399 -1.486 15.671 1.00 0.00 N ATOM 251 CA GLY A 352 28.446 -1.416 16.680 1.00 0.00 C ATOM 252 C GLY A 352 28.603 0.022 17.132 1.00 0.00 C ATOM 253 O GLY A 352 28.936 0.298 18.283 1.00 0.00 O ATOM 0 H GLY A 352 26.497 -1.115 15.970 1.00 0.00 H new ATOM 0 HA2 GLY A 352 28.194 -2.052 17.529 1.00 0.00 H new ATOM 0 HA3 GLY A 352 29.386 -1.787 16.273 1.00 0.00 H new ATOM 257 N ILE A 353 28.340 0.932 16.206 1.00 0.00 N ATOM 258 CA ILE A 353 28.424 2.353 16.486 1.00 0.00 C ATOM 259 C ILE A 353 27.043 2.893 16.843 1.00 0.00 C ATOM 260 O ILE A 353 26.909 3.796 17.666 1.00 0.00 O ATOM 261 CB ILE A 353 28.955 3.091 15.257 1.00 0.00 C ATOM 262 CG1 ILE A 353 30.210 2.386 14.724 1.00 0.00 C ATOM 263 CG2 ILE A 353 29.294 4.531 15.633 1.00 0.00 C ATOM 264 CD1 ILE A 353 31.210 2.162 15.862 1.00 0.00 C ATOM 0 H ILE A 353 28.065 0.707 15.250 1.00 0.00 H new ATOM 0 HA ILE A 353 29.102 2.510 17.325 1.00 0.00 H new ATOM 0 HB ILE A 353 28.190 3.090 14.480 1.00 0.00 H new ATOM 0 HG12 ILE A 353 29.937 1.431 14.276 1.00 0.00 H new ATOM 0 HG13 ILE A 353 30.669 2.987 13.939 1.00 0.00 H new ATOM 0 HG21 ILE A 353 29.673 5.056 14.756 1.00 0.00 H new ATOM 0 HG22 ILE A 353 28.398 5.032 15.998 1.00 0.00 H new ATOM 0 HG23 ILE A 353 30.054 4.534 16.414 1.00 0.00 H new ATOM 0 HD11 ILE A 353 32.097 1.661 15.474 1.00 0.00 H new ATOM 0 HD12 ILE A 353 31.494 3.123 16.291 1.00 0.00 H new ATOM 0 HD13 ILE A 353 30.752 1.542 16.633 1.00 0.00 H new ATOM 276 N MET A 354 26.022 2.332 16.199 1.00 0.00 N ATOM 277 CA MET A 354 24.646 2.755 16.417 1.00 0.00 C ATOM 278 C MET A 354 24.167 2.408 17.824 1.00 0.00 C ATOM 279 O MET A 354 23.355 3.122 18.411 1.00 0.00 O ATOM 280 CB MET A 354 23.716 2.078 15.411 1.00 0.00 C ATOM 281 CG MET A 354 23.850 0.560 15.529 1.00 0.00 C ATOM 282 SD MET A 354 22.343 -0.125 16.260 1.00 0.00 S ATOM 283 CE MET A 354 22.149 -1.516 15.119 1.00 0.00 C ATOM 0 H MET A 354 26.126 1.579 15.519 1.00 0.00 H new ATOM 0 HA MET A 354 24.620 3.837 16.289 1.00 0.00 H new ATOM 0 HB2 MET A 354 22.684 2.377 15.596 1.00 0.00 H new ATOM 0 HB3 MET A 354 23.964 2.397 14.399 1.00 0.00 H new ATOM 0 HG2 MET A 354 24.021 0.122 14.546 1.00 0.00 H new ATOM 0 HG3 MET A 354 24.713 0.307 16.145 1.00 0.00 H new ATOM 0 HE1 MET A 354 21.261 -2.088 15.390 1.00 0.00 H new ATOM 0 HE2 MET A 354 22.042 -1.140 14.102 1.00 0.00 H new ATOM 0 HE3 MET A 354 23.027 -2.159 15.177 1.00 0.00 H new