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+ -159:sc= -0.0166 (180deg=-0.455) USER MOD Single : A 338 SER OG : rot 60:sc= 0.00934 USER MOD Single : A 339 TYR OH : rot -52:sc= 0.155 USER MOD Single : A 340 MET CE :methyl 151:sc= -1.56 (180deg=-4.46!) USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot -29:sc= 0.786 USER MOD Single : A 349 HIS : no HD1:sc= -1.81 K(o=-1.8,f=-2.7) USER MOD Single : A 351 SER OG : rot 54:sc= 1.19 USER MOD Single : A 354 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 7 N LYS A 337 36.404 9.426 -6.330 1.00 0.00 N ATOM 8 CA LYS A 337 36.190 9.100 -4.924 1.00 0.00 C ATOM 9 C LYS A 337 34.714 9.229 -4.546 1.00 0.00 C ATOM 10 O LYS A 337 34.380 9.408 -3.375 1.00 0.00 O ATOM 11 CB LYS A 337 37.043 10.020 -4.036 1.00 0.00 C ATOM 12 CG LYS A 337 36.454 11.440 -3.994 1.00 0.00 C ATOM 13 CD LYS A 337 36.200 11.950 -5.414 1.00 0.00 C ATOM 14 CE LYS A 337 36.007 13.467 -5.382 1.00 0.00 C ATOM 15 NZ LYS A 337 34.987 13.814 -4.352 1.00 0.00 N ATOM 0 HA LYS A 337 36.491 8.065 -4.766 1.00 0.00 H new ATOM 0 HB2 LYS A 337 37.094 9.613 -3.026 1.00 0.00 H new ATOM 0 HB3 LYS A 337 38.064 10.056 -4.417 1.00 0.00 H new ATOM 0 HG2 LYS A 337 35.522 11.438 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 337 37.140 12.111 -3.476 1.00 0.00 H new ATOM 0 HD2 LYS A 337 37.039 11.693 -6.060 1.00 0.00 H new ATOM 0 HD3 LYS A 337 35.316 11.469 -5.832 1.00 0.00 H new ATOM 0 HE2 LYS A 337 36.952 13.960 -5.155 1.00 0.00 H new ATOM 0 HE3 LYS A 337 35.688 13.825 -6.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 34.594 14.755 -4.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 34.223 13.108 -4.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 35.432 13.821 -3.412 1.00 0.00 H new ATOM 29 N SER A 338 33.834 9.131 -5.544 1.00 0.00 N ATOM 30 CA SER A 338 32.397 9.240 -5.304 1.00 0.00 C ATOM 31 C SER A 338 31.680 7.945 -5.676 1.00 0.00 C ATOM 32 O SER A 338 30.871 7.919 -6.605 1.00 0.00 O ATOM 33 CB SER A 338 31.821 10.394 -6.124 1.00 0.00 C ATOM 34 OG SER A 338 32.345 10.339 -7.444 1.00 0.00 O ATOM 0 H SER A 338 34.090 8.977 -6.519 1.00 0.00 H new ATOM 0 HA SER A 338 32.243 9.429 -4.242 1.00 0.00 H new ATOM 0 HB2 SER A 338 30.733 10.330 -6.149 1.00 0.00 H new ATOM 0 HB3 SER A 338 32.074 11.347 -5.659 1.00 0.00 H new ATOM 0 HG SER A 338 32.103 9.484 -7.857 1.00 0.00 H new ATOM 40 N TYR A 339 31.973 6.876 -4.944 1.00 0.00 N ATOM 41 CA TYR A 339 31.340 5.587 -5.204 1.00 0.00 C ATOM 42 C TYR A 339 31.932 4.501 -4.296 1.00 0.00 C ATOM 43 O TYR A 339 31.695 4.503 -3.088 1.00 0.00 O ATOM 44 CB TYR A 339 31.491 5.216 -6.689 1.00 0.00 C ATOM 45 CG TYR A 339 32.767 5.806 -7.256 1.00 0.00 C ATOM 46 CD1 TYR A 339 33.924 5.897 -6.475 1.00 0.00 C ATOM 47 CD2 TYR A 339 32.778 6.264 -8.579 1.00 0.00 C ATOM 48 CE1 TYR A 339 35.093 6.445 -7.017 1.00 0.00 C ATOM 49 CE2 TYR A 339 33.946 6.814 -9.121 1.00 0.00 C ATOM 50 CZ TYR A 339 35.104 6.904 -8.339 1.00 0.00 C ATOM 51 OH TYR A 339 36.256 7.443 -8.873 1.00 0.00 O ATOM 0 H TYR A 339 32.639 6.875 -4.172 1.00 0.00 H new ATOM 0 HA TYR A 339 30.277 5.663 -4.977 1.00 0.00 H new ATOM 0 HB2 TYR A 339 31.504 4.132 -6.800 1.00 0.00 H new ATOM 0 HB3 TYR A 339 30.632 5.583 -7.251 1.00 0.00 H new ATOM 0 HD1 TYR A 339 33.916 5.545 -5.454 1.00 0.00 H new ATOM 0 HD2 TYR A 339 31.885 6.193 -9.182 1.00 0.00 H new ATOM 0 HE1 TYR A 339 35.987 6.513 -6.414 1.00 0.00 H new ATOM 0 HE2 TYR A 339 33.954 7.168 -10.141 1.00 0.00 H new ATOM 0 HH TYR A 339 36.592 8.149 -8.282 1.00 0.00 H new ATOM 61 N MET A 340 32.707 3.583 -4.873 1.00 0.00 N ATOM 62 CA MET A 340 33.321 2.512 -4.097 1.00 0.00 C ATOM 63 C MET A 340 34.288 3.086 -3.070 1.00 0.00 C ATOM 64 O MET A 340 34.875 2.354 -2.275 1.00 0.00 O ATOM 65 CB MET A 340 34.073 1.563 -5.030 1.00 0.00 C ATOM 66 CG MET A 340 35.277 2.289 -5.631 1.00 0.00 C ATOM 67 SD MET A 340 35.445 1.842 -7.377 1.00 0.00 S ATOM 68 CE MET A 340 35.797 3.502 -8.010 1.00 0.00 C ATOM 0 H MET A 340 32.922 3.561 -5.870 1.00 0.00 H new ATOM 0 HA MET A 340 32.535 1.966 -3.576 1.00 0.00 H new ATOM 0 HB2 MET A 340 34.403 0.681 -4.481 1.00 0.00 H new ATOM 0 HB3 MET A 340 33.411 1.215 -5.823 1.00 0.00 H new ATOM 0 HG2 MET A 340 35.151 3.367 -5.532 1.00 0.00 H new ATOM 0 HG3 MET A 340 36.184 2.022 -5.088 1.00 0.00 H new ATOM 0 HE1 MET A 340 36.417 3.427 -8.904 1.00 0.00 H new ATOM 0 HE2 MET A 340 34.861 4.003 -8.258 1.00 0.00 H new ATOM 0 HE3 MET A 340 36.325 4.077 -7.250 1.00 0.00 H new ATOM 78 N ALA A 341 34.450 4.401 -3.101 1.00 0.00 N ATOM 79 CA ALA A 341 35.351 5.074 -2.177 1.00 0.00 C ATOM 80 C ALA A 341 34.604 5.564 -0.943 1.00 0.00 C ATOM 81 O ALA A 341 35.175 5.654 0.144 1.00 0.00 O ATOM 82 CB ALA A 341 36.000 6.268 -2.875 1.00 0.00 C ATOM 0 H ALA A 341 33.971 5.021 -3.754 1.00 0.00 H new ATOM 0 HA ALA A 341 36.113 4.361 -1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 341 36.675 6.772 -2.183 1.00 0.00 H new ATOM 0 HB2 ALA A 341 36.562 5.921 -3.742 1.00 0.00 H new ATOM 0 HB3 ALA A 341 35.227 6.964 -3.199 1.00 0.00 H new ATOM 88 N TYR A 342 33.332 5.898 -1.121 1.00 0.00 N ATOM 89 CA TYR A 342 32.530 6.401 -0.013 1.00 0.00 C ATOM 90 C TYR A 342 31.687 5.291 0.618 1.00 0.00 C ATOM 91 O TYR A 342 31.662 5.150 1.841 1.00 0.00 O ATOM 92 CB TYR A 342 31.627 7.534 -0.506 1.00 0.00 C ATOM 93 CG TYR A 342 30.262 6.986 -0.829 1.00 0.00 C ATOM 94 CD1 TYR A 342 29.286 6.889 0.170 1.00 0.00 C ATOM 95 CD2 TYR A 342 29.973 6.565 -2.133 1.00 0.00 C ATOM 96 CE1 TYR A 342 28.022 6.372 -0.134 1.00 0.00 C ATOM 97 CE2 TYR A 342 28.708 6.048 -2.437 1.00 0.00 C ATOM 98 CZ TYR A 342 27.733 5.952 -1.438 1.00 0.00 C ATOM 99 OH TYR A 342 26.486 5.442 -1.737 1.00 0.00 O ATOM 0 H TYR A 342 32.838 5.831 -2.011 1.00 0.00 H new ATOM 0 HA TYR A 342 33.206 6.779 0.754 1.00 0.00 H new ATOM 0 HB2 TYR A 342 31.548 8.308 0.257 1.00 0.00 H new ATOM 0 HB3 TYR A 342 32.061 8.001 -1.390 1.00 0.00 H new ATOM 0 HD1 TYR A 342 29.509 7.213 1.176 1.00 0.00 H new ATOM 0 HD2 TYR A 342 30.726 6.639 -2.904 1.00 0.00 H new ATOM 0 HE1 TYR A 342 27.269 6.297 0.637 1.00 0.00 H new ATOM 0 HE2 TYR A 342 28.485 5.723 -3.443 1.00 0.00 H new ATOM 0 HH TYR A 342 26.451 5.199 -2.686 1.00 0.00 H new ATOM 109 N LEU A 343 30.997 4.509 -0.209 1.00 0.00 N ATOM 110 CA LEU A 343 30.162 3.431 0.313 1.00 0.00 C ATOM 111 C LEU A 343 31.014 2.428 1.081 1.00 0.00 C ATOM 112 O LEU A 343 30.503 1.653 1.890 1.00 0.00 O ATOM 113 CB LEU A 343 29.405 2.732 -0.829 1.00 0.00 C ATOM 114 CG LEU A 343 30.333 1.768 -1.583 1.00 0.00 C ATOM 115 CD1 LEU A 343 30.180 0.340 -1.043 1.00 0.00 C ATOM 116 CD2 LEU A 343 29.955 1.774 -3.067 1.00 0.00 C ATOM 0 H LEU A 343 30.998 4.598 -1.225 1.00 0.00 H new ATOM 0 HA LEU A 343 29.429 3.860 0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 343 28.553 2.184 -0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 343 29.008 3.477 -1.519 1.00 0.00 H new ATOM 0 HG LEU A 343 31.365 2.093 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 343 30.845 -0.329 -1.589 1.00 0.00 H new ATOM 0 HD12 LEU A 343 30.437 0.322 0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 343 29.149 0.011 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 343 30.608 1.092 -3.612 1.00 0.00 H new ATOM 0 HD22 LEU A 343 28.920 1.452 -3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 343 30.068 2.782 -3.467 1.00 0.00 H new ATOM 128 N SER A 344 32.317 2.453 0.826 1.00 0.00 N ATOM 129 CA SER A 344 33.238 1.549 1.502 1.00 0.00 C ATOM 130 C SER A 344 33.719 2.168 2.810 1.00 0.00 C ATOM 131 O SER A 344 34.533 1.581 3.523 1.00 0.00 O ATOM 132 CB SER A 344 34.438 1.259 0.601 1.00 0.00 C ATOM 133 OG SER A 344 35.292 0.321 1.244 1.00 0.00 O ATOM 0 H SER A 344 32.758 3.087 0.159 1.00 0.00 H new ATOM 0 HA SER A 344 32.716 0.617 1.720 1.00 0.00 H new ATOM 0 HB2 SER A 344 34.101 0.864 -0.357 1.00 0.00 H new ATOM 0 HB3 SER A 344 34.982 2.180 0.392 1.00 0.00 H new ATOM 0 HG SER A 344 35.210 0.416 2.216 1.00 0.00 H new ATOM 139 N ALA A 345 33.210 3.361 3.112 1.00 0.00 N ATOM 140 CA ALA A 345 33.591 4.067 4.332 1.00 0.00 C ATOM 141 C ALA A 345 32.373 4.310 5.219 1.00 0.00 C ATOM 142 O ALA A 345 32.447 5.054 6.197 1.00 0.00 O ATOM 143 CB ALA A 345 34.233 5.407 3.973 1.00 0.00 C ATOM 0 H ALA A 345 32.535 3.857 2.530 1.00 0.00 H new ATOM 0 HA ALA A 345 34.305 3.450 4.878 1.00 0.00 H new ATOM 0 HB1 ALA A 345 34.516 5.931 4.886 1.00 0.00 H new ATOM 0 HB2 ALA A 345 35.120 5.234 3.364 1.00 0.00 H new ATOM 0 HB3 ALA A 345 33.521 6.013 3.413 1.00 0.00 H new ATOM 149 N GLU A 346 31.254 3.684 4.872 1.00 0.00 N ATOM 150 CA GLU A 346 30.030 3.850 5.649 1.00 0.00 C ATOM 151 C GLU A 346 29.206 2.566 5.639 1.00 0.00 C ATOM 152 O GLU A 346 28.135 2.509 5.034 1.00 0.00 O ATOM 153 CB GLU A 346 29.198 4.994 5.070 1.00 0.00 C ATOM 154 CG GLU A 346 28.946 4.736 3.585 1.00 0.00 C ATOM 155 CD GLU A 346 27.455 4.842 3.283 1.00 0.00 C ATOM 156 OE1 GLU A 346 26.776 3.834 3.389 1.00 0.00 O ATOM 157 OE2 GLU A 346 27.014 5.929 2.949 1.00 0.00 O ATOM 0 H GLU A 346 31.168 3.063 4.067 1.00 0.00 H new ATOM 0 HA GLU A 346 30.305 4.082 6.678 1.00 0.00 H new ATOM 0 HB2 GLU A 346 28.250 5.075 5.602 1.00 0.00 H new ATOM 0 HB3 GLU A 346 29.720 5.942 5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 346 29.499 5.457 2.983 1.00 0.00 H new ATOM 0 HG3 GLU A 346 29.311 3.746 3.312 1.00 0.00 H new ATOM 164 N LEU A 347 29.716 1.538 6.305 1.00 0.00 N ATOM 165 CA LEU A 347 29.021 0.256 6.360 1.00 0.00 C ATOM 166 C LEU A 347 29.163 -0.385 7.740 1.00 0.00 C ATOM 167 O LEU A 347 28.739 -1.520 7.955 1.00 0.00 O ATOM 168 CB LEU A 347 29.592 -0.683 5.296 1.00 0.00 C ATOM 169 CG LEU A 347 31.109 -0.776 5.466 1.00 0.00 C ATOM 170 CD1 LEU A 347 31.537 -2.244 5.444 1.00 0.00 C ATOM 171 CD2 LEU A 347 31.797 -0.027 4.324 1.00 0.00 C ATOM 0 H LEU A 347 30.601 1.565 6.811 1.00 0.00 H new ATOM 0 HA LEU A 347 27.962 0.430 6.169 1.00 0.00 H new ATOM 0 HB2 LEU A 347 29.143 -1.672 5.388 1.00 0.00 H new ATOM 0 HB3 LEU A 347 29.348 -0.314 4.300 1.00 0.00 H new ATOM 0 HG LEU A 347 31.395 -0.329 6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 347 32.618 -2.310 5.565 1.00 0.00 H new ATOM 0 HD12 LEU A 347 31.048 -2.778 6.258 1.00 0.00 H new ATOM 0 HD13 LEU A 347 31.251 -2.692 4.493 1.00 0.00 H new ATOM 0 HD21 LEU A 347 32.878 -0.093 4.445 1.00 0.00 H new ATOM 0 HD22 LEU A 347 31.510 -0.473 3.372 1.00 0.00 H new ATOM 0 HD23 LEU A 347 31.493 1.020 4.340 1.00 0.00 H new ATOM 183 N PHE A 348 29.775 0.348 8.663 1.00 0.00 N ATOM 184 CA PHE A 348 29.990 -0.149 10.018 1.00 0.00 C ATOM 185 C PHE A 348 29.534 0.885 11.038 1.00 0.00 C ATOM 186 O PHE A 348 29.334 0.571 12.212 1.00 0.00 O ATOM 187 CB PHE A 348 31.478 -0.440 10.226 1.00 0.00 C ATOM 188 CG PHE A 348 32.253 0.860 10.177 1.00 0.00 C ATOM 189 CD1 PHE A 348 32.357 1.568 8.973 1.00 0.00 C ATOM 190 CD2 PHE A 348 32.863 1.356 11.335 1.00 0.00 C ATOM 191 CE1 PHE A 348 33.071 2.771 8.928 1.00 0.00 C ATOM 192 CE2 PHE A 348 33.577 2.560 11.290 1.00 0.00 C ATOM 193 CZ PHE A 348 33.681 3.267 10.086 1.00 0.00 C ATOM 0 H PHE A 348 30.132 1.289 8.498 1.00 0.00 H new ATOM 0 HA PHE A 348 29.411 -1.063 10.153 1.00 0.00 H new ATOM 0 HB2 PHE A 348 31.633 -0.934 11.185 1.00 0.00 H new ATOM 0 HB3 PHE A 348 31.839 -1.121 9.455 1.00 0.00 H new ATOM 0 HD1 PHE A 348 31.886 1.186 8.079 1.00 0.00 H new ATOM 0 HD2 PHE A 348 32.783 0.810 12.263 1.00 0.00 H new ATOM 0 HE1 PHE A 348 33.151 3.317 7.999 1.00 0.00 H new ATOM 0 HE2 PHE A 348 34.047 2.943 12.184 1.00 0.00 H new ATOM 0 HZ PHE A 348 34.232 4.195 10.051 1.00 0.00 H new ATOM 203 N HIS A 349 29.383 2.120 10.580 1.00 0.00 N ATOM 204 CA HIS A 349 28.963 3.205 11.455 1.00 0.00 C ATOM 205 C HIS A 349 27.528 2.998 11.934 1.00 0.00 C ATOM 206 O HIS A 349 26.976 3.848 12.633 1.00 0.00 O ATOM 207 CB HIS A 349 29.084 4.537 10.715 1.00 0.00 C ATOM 208 CG HIS A 349 27.982 4.661 9.701 1.00 0.00 C ATOM 209 ND1 HIS A 349 26.875 5.471 9.898 1.00 0.00 N ATOM 210 CD2 HIS A 349 27.815 4.093 8.461 1.00 0.00 C ATOM 211 CE1 HIS A 349 26.098 5.371 8.804 1.00 0.00 C ATOM 212 NE2 HIS A 349 26.624 4.543 7.898 1.00 0.00 N ATOM 0 H HIS A 349 29.544 2.395 9.611 1.00 0.00 H new ATOM 0 HA HIS A 349 29.612 3.216 12.330 1.00 0.00 H new ATOM 0 HB2 HIS A 349 29.032 5.363 11.424 1.00 0.00 H new ATOM 0 HB3 HIS A 349 30.053 4.602 10.221 1.00 0.00 H new ATOM 0 HD2 HIS A 349 28.503 3.403 7.995 1.00 0.00 H new ATOM 0 HE1 HIS A 349 25.163 5.896 8.675 1.00 0.00 H new ATOM 0 HE2 HIS A 349 26.236 4.294 6.988 1.00 0.00 H new ATOM 220 N LEU A 350 26.936 1.863 11.564 1.00 0.00 N ATOM 221 CA LEU A 350 25.569 1.553 11.974 1.00 0.00 C ATOM 222 C LEU A 350 25.538 0.225 12.723 1.00 0.00 C ATOM 223 O LEU A 350 24.501 -0.435 12.791 1.00 0.00 O ATOM 224 CB LEU A 350 24.630 1.473 10.761 1.00 0.00 C ATOM 225 CG LEU A 350 25.282 2.103 9.525 1.00 0.00 C ATOM 226 CD1 LEU A 350 26.217 1.089 8.862 1.00 0.00 C ATOM 227 CD2 LEU A 350 24.190 2.501 8.530 1.00 0.00 C ATOM 0 H LEU A 350 27.378 1.149 10.986 1.00 0.00 H new ATOM 0 HA LEU A 350 25.226 2.355 12.628 1.00 0.00 H new ATOM 0 HB2 LEU A 350 24.382 0.432 10.556 1.00 0.00 H new ATOM 0 HB3 LEU A 350 23.694 1.985 10.985 1.00 0.00 H new ATOM 0 HG LEU A 350 25.853 2.982 9.825 1.00 0.00 H new ATOM 0 HD11 LEU A 350 26.679 1.540 7.984 1.00 0.00 H new ATOM 0 HD12 LEU A 350 26.993 0.793 9.568 1.00 0.00 H new ATOM 0 HD13 LEU A 350 25.646 0.210 8.561 1.00 0.00 H new ATOM 0 HD21 LEU A 350 24.647 2.950 7.648 1.00 0.00 H new ATOM 0 HD22 LEU A 350 23.626 1.616 8.236 1.00 0.00 H new ATOM 0 HD23 LEU A 350 23.518 3.221 8.996 1.00 0.00 H new ATOM 239 N SER A 351 26.681 -0.161 13.282 1.00 0.00 N ATOM 240 CA SER A 351 26.774 -1.413 14.026 1.00 0.00 C ATOM 241 C SER A 351 25.540 -1.604 14.901 1.00 0.00 C ATOM 242 O SER A 351 25.493 -1.137 16.039 1.00 0.00 O ATOM 243 CB SER A 351 28.031 -1.410 14.896 1.00 0.00 C ATOM 244 OG SER A 351 27.900 -0.421 15.907 1.00 0.00 O ATOM 0 H SER A 351 27.550 0.371 13.235 1.00 0.00 H new ATOM 0 HA SER A 351 26.831 -2.238 13.315 1.00 0.00 H new ATOM 0 HB2 SER A 351 28.177 -2.391 15.348 1.00 0.00 H new ATOM 0 HB3 SER A 351 28.910 -1.207 14.284 1.00 0.00 H new ATOM 0 HG SER A 351 27.064 -0.564 16.398 1.00 0.00 H new ATOM 250 N GLY A 352 24.539 -2.283 14.352 1.00 0.00 N ATOM 251 CA GLY A 352 23.296 -2.524 15.073 1.00 0.00 C ATOM 252 C GLY A 352 22.139 -2.497 14.092 1.00 0.00 C ATOM 253 O GLY A 352 21.241 -3.337 14.138 1.00 0.00 O ATOM 0 H GLY A 352 24.564 -2.676 13.411 1.00 0.00 H new ATOM 0 HA2 GLY A 352 23.336 -3.488 15.580 1.00 0.00 H new ATOM 0 HA3 GLY A 352 23.154 -1.765 15.842 1.00 0.00 H new ATOM 257 N ILE A 353 22.193 -1.533 13.183 1.00 0.00 N ATOM 258 CA ILE A 353 21.175 -1.398 12.156 1.00 0.00 C ATOM 259 C ILE A 353 21.636 -2.127 10.898 1.00 0.00 C ATOM 260 O ILE A 353 20.828 -2.654 10.135 1.00 0.00 O ATOM 261 CB ILE A 353 20.944 0.080 11.839 1.00 0.00 C ATOM 262 CG1 ILE A 353 20.277 0.760 13.037 1.00 0.00 C ATOM 263 CG2 ILE A 353 20.036 0.203 10.614 1.00 0.00 C ATOM 264 CD1 ILE A 353 21.013 2.062 13.361 1.00 0.00 C ATOM 0 H ILE A 353 22.933 -0.833 13.138 1.00 0.00 H new ATOM 0 HA ILE A 353 20.241 -1.832 12.512 1.00 0.00 H new ATOM 0 HB ILE A 353 21.900 0.561 11.633 1.00 0.00 H new ATOM 0 HG12 ILE A 353 19.230 0.967 12.814 1.00 0.00 H new ATOM 0 HG13 ILE A 353 20.294 0.096 13.901 1.00 0.00 H new ATOM 0 HG21 ILE A 353 19.871 1.256 10.388 1.00 0.00 H new ATOM 0 HG22 ILE A 353 20.509 -0.282 9.760 1.00 0.00 H new ATOM 0 HG23 ILE A 353 19.080 -0.278 10.820 1.00 0.00 H new ATOM 0 HD11 ILE A 353 20.538 2.546 14.214 1.00 0.00 H new ATOM 0 HD12 ILE A 353 22.053 1.842 13.602 1.00 0.00 H new ATOM 0 HD13 ILE A 353 20.973 2.727 12.498 1.00 0.00 H new ATOM 276 N MET A 354 22.957 -2.149 10.703 1.00 0.00 N ATOM 277 CA MET A 354 23.564 -2.800 9.544 1.00 0.00 C ATOM 278 C MET A 354 23.389 -4.312 9.602 1.00 0.00 C ATOM 279 O MET A 354 23.326 -4.980 8.571 1.00 0.00 O ATOM 280 CB MET A 354 25.059 -2.477 9.487 1.00 0.00 C ATOM 281 CG MET A 354 25.740 -2.951 10.773 1.00 0.00 C ATOM 282 SD MET A 354 26.137 -4.712 10.632 1.00 0.00 S ATOM 283 CE MET A 354 27.167 -4.831 12.115 1.00 0.00 C ATOM 0 H MET A 354 23.629 -1.720 11.339 1.00 0.00 H new ATOM 0 HA MET A 354 23.063 -2.423 8.653 1.00 0.00 H new ATOM 0 HB2 MET A 354 25.513 -2.963 8.624 1.00 0.00 H new ATOM 0 HB3 MET A 354 25.204 -1.404 9.362 1.00 0.00 H new ATOM 0 HG2 MET A 354 26.649 -2.375 10.949 1.00 0.00 H new ATOM 0 HG3 MET A 354 25.085 -2.782 11.628 1.00 0.00 H new ATOM 0 HE1 MET A 354 27.528 -5.854 12.227 1.00 0.00 H new ATOM 0 HE2 MET A 354 28.017 -4.155 12.023 1.00 0.00 H new ATOM 0 HE3 MET A 354 26.578 -4.557 12.990 1.00 0.00 H new