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+ -166:sc= 0 (180deg=-0.161) USER MOD Single : A 338 SER OG : rot 61:sc= 0.00708 USER MOD Single : A 339 TYR OH : rot -52:sc= 0.187 USER MOD Single : A 340 MET CE :methyl 146:sc= -1.19 (180deg=-4.06!) USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot -42:sc= 0.576 USER MOD Single : A 349 HIS : no HD1:sc= -4.31 K(o=-4.3,f=-2.2!) USER MOD Single : A 351 SER OG : rot 180:sc= 0 USER MOD Single : A 354 MET CE :methyl -178:sc= -0.0885 (180deg=-0.0931) USER MOD ----------------------------------------------------------------- ATOM 7 N LYS A 337 36.588 9.345 -6.187 1.00 0.00 N ATOM 8 CA LYS A 337 36.304 9.043 -4.787 1.00 0.00 C ATOM 9 C LYS A 337 34.812 9.184 -4.485 1.00 0.00 C ATOM 10 O LYS A 337 34.424 9.385 -3.333 1.00 0.00 O ATOM 11 CB LYS A 337 37.116 9.976 -3.874 1.00 0.00 C ATOM 12 CG LYS A 337 36.529 11.397 -3.883 1.00 0.00 C ATOM 13 CD LYS A 337 36.330 11.879 -5.322 1.00 0.00 C ATOM 14 CE LYS A 337 36.125 13.395 -5.326 1.00 0.00 C ATOM 15 NZ LYS A 337 34.886 13.730 -4.568 1.00 0.00 N ATOM 0 HA LYS A 337 36.593 8.009 -4.596 1.00 0.00 H new ATOM 0 HB2 LYS A 337 37.118 9.585 -2.857 1.00 0.00 H new ATOM 0 HB3 LYS A 337 38.154 10.004 -4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 337 35.576 11.408 -3.353 1.00 0.00 H new ATOM 0 HG3 LYS A 337 37.196 12.077 -3.353 1.00 0.00 H new ATOM 0 HD2 LYS A 337 37.197 11.617 -5.928 1.00 0.00 H new ATOM 0 HD3 LYS A 337 35.468 11.383 -5.767 1.00 0.00 H new ATOM 0 HE2 LYS A 337 36.985 13.890 -4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 337 36.048 13.760 -6.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 34.614 14.714 -4.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 34.117 13.094 -4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 35.061 13.616 -3.549 1.00 0.00 H new ATOM 29 N SER A 338 33.981 9.075 -5.522 1.00 0.00 N ATOM 30 CA SER A 338 32.535 9.195 -5.352 1.00 0.00 C ATOM 31 C SER A 338 31.828 7.896 -5.729 1.00 0.00 C ATOM 32 O SER A 338 31.054 7.855 -6.685 1.00 0.00 O ATOM 33 CB SER A 338 32.004 10.332 -6.225 1.00 0.00 C ATOM 34 OG SER A 338 32.587 10.242 -7.519 1.00 0.00 O ATOM 0 H SER A 338 34.283 8.905 -6.481 1.00 0.00 H new ATOM 0 HA SER A 338 32.334 9.408 -4.302 1.00 0.00 H new ATOM 0 HB2 SER A 338 30.918 10.273 -6.298 1.00 0.00 H new ATOM 0 HB3 SER A 338 32.242 11.295 -5.773 1.00 0.00 H new ATOM 0 HG SER A 338 32.343 9.386 -7.929 1.00 0.00 H new ATOM 40 N TYR A 339 32.088 6.839 -4.965 1.00 0.00 N ATOM 41 CA TYR A 339 31.461 5.546 -5.226 1.00 0.00 C ATOM 42 C TYR A 339 32.001 4.479 -4.264 1.00 0.00 C ATOM 43 O TYR A 339 31.699 4.508 -3.071 1.00 0.00 O ATOM 44 CB TYR A 339 31.679 5.140 -6.692 1.00 0.00 C ATOM 45 CG TYR A 339 32.976 5.724 -7.214 1.00 0.00 C ATOM 46 CD1 TYR A 339 34.101 5.821 -6.386 1.00 0.00 C ATOM 47 CD2 TYR A 339 33.041 6.170 -8.539 1.00 0.00 C ATOM 48 CE1 TYR A 339 35.291 6.367 -6.884 1.00 0.00 C ATOM 49 CE2 TYR A 339 34.231 6.715 -9.036 1.00 0.00 C ATOM 50 CZ TYR A 339 35.356 6.813 -8.209 1.00 0.00 C ATOM 51 OH TYR A 339 36.529 7.348 -8.700 1.00 0.00 O ATOM 0 H TYR A 339 32.723 6.851 -4.167 1.00 0.00 H new ATOM 0 HA TYR A 339 30.388 5.632 -5.053 1.00 0.00 H new ATOM 0 HB2 TYR A 339 31.702 4.053 -6.776 1.00 0.00 H new ATOM 0 HB3 TYR A 339 30.845 5.489 -7.301 1.00 0.00 H new ATOM 0 HD1 TYR A 339 34.051 5.475 -5.364 1.00 0.00 H new ATOM 0 HD2 TYR A 339 32.174 6.094 -9.178 1.00 0.00 H new ATOM 0 HE1 TYR A 339 36.159 6.444 -6.245 1.00 0.00 H new ATOM 0 HE2 TYR A 339 34.281 7.060 -10.058 1.00 0.00 H new ATOM 0 HH TYR A 339 36.841 8.058 -8.101 1.00 0.00 H new ATOM 61 N MET A 340 32.801 3.546 -4.780 1.00 0.00 N ATOM 62 CA MET A 340 33.368 2.488 -3.949 1.00 0.00 C ATOM 63 C MET A 340 34.287 3.079 -2.888 1.00 0.00 C ATOM 64 O MET A 340 34.818 2.361 -2.040 1.00 0.00 O ATOM 65 CB MET A 340 34.159 1.513 -4.821 1.00 0.00 C ATOM 66 CG MET A 340 35.416 2.207 -5.350 1.00 0.00 C ATOM 67 SD MET A 340 35.698 1.722 -7.072 1.00 0.00 S ATOM 68 CE MET A 340 36.093 3.367 -7.714 1.00 0.00 C ATOM 0 H MET A 340 33.069 3.502 -5.763 1.00 0.00 H new ATOM 0 HA MET A 340 32.552 1.959 -3.456 1.00 0.00 H new ATOM 0 HB2 MET A 340 34.434 0.631 -4.242 1.00 0.00 H new ATOM 0 HB3 MET A 340 33.543 1.170 -5.652 1.00 0.00 H new ATOM 0 HG2 MET A 340 35.303 3.289 -5.280 1.00 0.00 H new ATOM 0 HG3 MET A 340 36.277 1.936 -4.740 1.00 0.00 H new ATOM 0 HE1 MET A 340 36.838 3.280 -8.505 1.00 0.00 H new ATOM 0 HE2 MET A 340 35.190 3.827 -8.115 1.00 0.00 H new ATOM 0 HE3 MET A 340 36.489 3.986 -6.909 1.00 0.00 H new ATOM 78 N ALA A 341 34.474 4.389 -2.949 1.00 0.00 N ATOM 79 CA ALA A 341 35.335 5.076 -1.997 1.00 0.00 C ATOM 80 C ALA A 341 34.534 5.591 -0.809 1.00 0.00 C ATOM 81 O ALA A 341 35.054 5.704 0.301 1.00 0.00 O ATOM 82 CB ALA A 341 36.022 6.252 -2.688 1.00 0.00 C ATOM 0 H ALA A 341 34.043 4.997 -3.646 1.00 0.00 H new ATOM 0 HA ALA A 341 36.079 4.367 -1.634 1.00 0.00 H new ATOM 0 HB1 ALA A 341 36.667 6.767 -1.975 1.00 0.00 H new ATOM 0 HB2 ALA A 341 36.622 5.885 -3.521 1.00 0.00 H new ATOM 0 HB3 ALA A 341 35.268 6.945 -3.062 1.00 0.00 H new ATOM 88 N TYR A 342 33.271 5.922 -1.051 1.00 0.00 N ATOM 89 CA TYR A 342 32.418 6.446 0.007 1.00 0.00 C ATOM 90 C TYR A 342 31.550 5.348 0.622 1.00 0.00 C ATOM 91 O TYR A 342 31.462 5.234 1.844 1.00 0.00 O ATOM 92 CB TYR A 342 31.538 7.565 -0.550 1.00 0.00 C ATOM 93 CG TYR A 342 30.192 7.005 -0.932 1.00 0.00 C ATOM 94 CD1 TYR A 342 29.174 6.901 0.025 1.00 0.00 C ATOM 95 CD2 TYR A 342 29.964 6.583 -2.246 1.00 0.00 C ATOM 96 CE1 TYR A 342 27.928 6.376 -0.336 1.00 0.00 C ATOM 97 CE2 TYR A 342 28.717 6.058 -2.606 1.00 0.00 C ATOM 98 CZ TYR A 342 27.698 5.954 -1.651 1.00 0.00 C ATOM 99 OH TYR A 342 26.470 5.436 -2.006 1.00 0.00 O ATOM 0 H TYR A 342 32.819 5.838 -1.961 1.00 0.00 H new ATOM 0 HA TYR A 342 33.057 6.842 0.796 1.00 0.00 H new ATOM 0 HB2 TYR A 342 31.418 8.352 0.194 1.00 0.00 H new ATOM 0 HB3 TYR A 342 32.015 8.018 -1.419 1.00 0.00 H new ATOM 0 HD1 TYR A 342 29.351 7.226 1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 342 30.750 6.662 -2.983 1.00 0.00 H new ATOM 0 HE1 TYR A 342 27.143 6.296 0.401 1.00 0.00 H new ATOM 0 HE2 TYR A 342 28.541 5.733 -3.621 1.00 0.00 H new ATOM 0 HH TYR A 342 26.479 5.193 -2.955 1.00 0.00 H new ATOM 109 N LEU A 343 30.905 4.544 -0.223 1.00 0.00 N ATOM 110 CA LEU A 343 30.050 3.473 0.280 1.00 0.00 C ATOM 111 C LEU A 343 30.869 2.487 1.102 1.00 0.00 C ATOM 112 O LEU A 343 30.325 1.739 1.916 1.00 0.00 O ATOM 113 CB LEU A 343 29.346 2.753 -0.881 1.00 0.00 C ATOM 114 CG LEU A 343 30.309 1.780 -1.577 1.00 0.00 C ATOM 115 CD1 LEU A 343 30.147 0.362 -1.011 1.00 0.00 C ATOM 116 CD2 LEU A 343 29.991 1.752 -3.073 1.00 0.00 C ATOM 0 H LEU A 343 30.957 4.612 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 343 29.287 3.912 0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 343 28.479 2.209 -0.506 1.00 0.00 H new ATOM 0 HB3 LEU A 343 28.977 3.485 -1.600 1.00 0.00 H new ATOM 0 HG LEU A 343 31.332 2.115 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 343 30.838 -0.313 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 343 30.364 0.370 0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 343 29.124 0.021 -1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 343 30.670 1.064 -3.576 1.00 0.00 H new ATOM 0 HD22 LEU A 343 28.963 1.421 -3.220 1.00 0.00 H new ATOM 0 HD23 LEU A 343 30.113 2.752 -3.490 1.00 0.00 H new ATOM 128 N SER A 344 32.180 2.495 0.892 1.00 0.00 N ATOM 129 CA SER A 344 33.067 1.604 1.629 1.00 0.00 C ATOM 130 C SER A 344 33.470 2.243 2.953 1.00 0.00 C ATOM 131 O SER A 344 34.227 1.663 3.730 1.00 0.00 O ATOM 132 CB SER A 344 34.316 1.305 0.799 1.00 0.00 C ATOM 133 OG SER A 344 35.118 0.353 1.485 1.00 0.00 O ATOM 0 H SER A 344 32.650 3.104 0.222 1.00 0.00 H new ATOM 0 HA SER A 344 32.539 0.672 1.830 1.00 0.00 H new ATOM 0 HB2 SER A 344 34.032 0.920 -0.181 1.00 0.00 H new ATOM 0 HB3 SER A 344 34.882 2.221 0.630 1.00 0.00 H new ATOM 0 HG SER A 344 35.149 0.578 2.438 1.00 0.00 H new ATOM 139 N ALA A 345 32.955 3.446 3.195 1.00 0.00 N ATOM 140 CA ALA A 345 33.257 4.175 4.423 1.00 0.00 C ATOM 141 C ALA A 345 31.983 4.421 5.227 1.00 0.00 C ATOM 142 O ALA A 345 31.950 5.280 6.107 1.00 0.00 O ATOM 143 CB ALA A 345 33.910 5.514 4.083 1.00 0.00 C ATOM 0 H ALA A 345 32.327 3.936 2.557 1.00 0.00 H new ATOM 0 HA ALA A 345 33.942 3.575 5.022 1.00 0.00 H new ATOM 0 HB1 ALA A 345 34.133 6.054 5.003 1.00 0.00 H new ATOM 0 HB2 ALA A 345 34.834 5.339 3.532 1.00 0.00 H new ATOM 0 HB3 ALA A 345 33.229 6.106 3.471 1.00 0.00 H new ATOM 149 N GLU A 346 30.936 3.664 4.914 1.00 0.00 N ATOM 150 CA GLU A 346 29.665 3.815 5.612 1.00 0.00 C ATOM 151 C GLU A 346 28.911 2.490 5.649 1.00 0.00 C ATOM 152 O GLU A 346 27.740 2.424 5.276 1.00 0.00 O ATOM 153 CB GLU A 346 28.807 4.864 4.908 1.00 0.00 C ATOM 154 CG GLU A 346 28.728 4.535 3.418 1.00 0.00 C ATOM 155 CD GLU A 346 27.271 4.481 2.972 1.00 0.00 C ATOM 156 OE1 GLU A 346 26.751 5.516 2.589 1.00 0.00 O ATOM 157 OE2 GLU A 346 26.697 3.406 3.019 1.00 0.00 O ATOM 0 H GLU A 346 30.942 2.947 4.189 1.00 0.00 H new ATOM 0 HA GLU A 346 29.871 4.134 6.634 1.00 0.00 H new ATOM 0 HB2 GLU A 346 27.807 4.883 5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 346 29.235 5.856 5.051 1.00 0.00 H new ATOM 0 HG2 GLU A 346 29.265 5.288 2.842 1.00 0.00 H new ATOM 0 HG3 GLU A 346 29.212 3.578 3.222 1.00 0.00 H new ATOM 164 N LEU A 347 29.592 1.440 6.099 1.00 0.00 N ATOM 165 CA LEU A 347 28.981 0.118 6.182 1.00 0.00 C ATOM 166 C LEU A 347 29.124 -0.446 7.591 1.00 0.00 C ATOM 167 O LEU A 347 28.548 -1.484 7.916 1.00 0.00 O ATOM 168 CB LEU A 347 29.644 -0.826 5.177 1.00 0.00 C ATOM 169 CG LEU A 347 31.098 -1.069 5.583 1.00 0.00 C ATOM 170 CD1 LEU A 347 31.231 -2.465 6.193 1.00 0.00 C ATOM 171 CD2 LEU A 347 31.994 -0.967 4.347 1.00 0.00 C ATOM 0 H LEU A 347 30.563 1.479 6.410 1.00 0.00 H new ATOM 0 HA LEU A 347 27.921 0.208 5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 347 29.103 -1.772 5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 347 29.602 -0.396 4.176 1.00 0.00 H new ATOM 0 HG LEU A 347 31.401 -0.322 6.316 1.00 0.00 H new ATOM 0 HD11 LEU A 347 32.267 -2.638 6.482 1.00 0.00 H new ATOM 0 HD12 LEU A 347 30.591 -2.540 7.072 1.00 0.00 H new ATOM 0 HD13 LEU A 347 30.929 -3.213 5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 347 33.031 -1.140 4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 347 31.691 -1.715 3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 347 31.899 0.027 3.910 1.00 0.00 H new ATOM 183 N PHE A 348 29.892 0.251 8.420 1.00 0.00 N ATOM 184 CA PHE A 348 30.108 -0.173 9.799 1.00 0.00 C ATOM 185 C PHE A 348 29.771 0.967 10.753 1.00 0.00 C ATOM 186 O PHE A 348 29.796 0.800 11.973 1.00 0.00 O ATOM 187 CB PHE A 348 31.566 -0.597 9.994 1.00 0.00 C ATOM 188 CG PHE A 348 32.430 0.049 8.935 1.00 0.00 C ATOM 189 CD1 PHE A 348 32.318 1.422 8.683 1.00 0.00 C ATOM 190 CD2 PHE A 348 33.341 -0.725 8.206 1.00 0.00 C ATOM 191 CE1 PHE A 348 33.118 2.020 7.702 1.00 0.00 C ATOM 192 CE2 PHE A 348 34.142 -0.126 7.226 1.00 0.00 C ATOM 193 CZ PHE A 348 34.030 1.247 6.974 1.00 0.00 C ATOM 0 H PHE A 348 30.375 1.111 8.162 1.00 0.00 H new ATOM 0 HA PHE A 348 29.458 -1.022 10.013 1.00 0.00 H new ATOM 0 HB2 PHE A 348 31.910 -0.305 10.986 1.00 0.00 H new ATOM 0 HB3 PHE A 348 31.651 -1.682 9.934 1.00 0.00 H new ATOM 0 HD1 PHE A 348 31.615 2.019 9.245 1.00 0.00 H new ATOM 0 HD2 PHE A 348 33.426 -1.784 8.400 1.00 0.00 H new ATOM 0 HE1 PHE A 348 33.031 3.079 7.507 1.00 0.00 H new ATOM 0 HE2 PHE A 348 34.846 -0.723 6.665 1.00 0.00 H new ATOM 0 HZ PHE A 348 34.647 1.709 6.218 1.00 0.00 H new ATOM 203 N HIS A 349 29.468 2.129 10.183 1.00 0.00 N ATOM 204 CA HIS A 349 29.137 3.299 10.981 1.00 0.00 C ATOM 205 C HIS A 349 27.894 3.040 11.827 1.00 0.00 C ATOM 206 O HIS A 349 27.567 3.824 12.718 1.00 0.00 O ATOM 207 CB HIS A 349 28.907 4.510 10.069 1.00 0.00 C ATOM 208 CG HIS A 349 27.735 4.257 9.156 1.00 0.00 C ATOM 209 ND1 HIS A 349 26.693 5.163 9.031 1.00 0.00 N ATOM 210 CD2 HIS A 349 27.434 3.221 8.308 1.00 0.00 C ATOM 211 CE1 HIS A 349 25.821 4.659 8.139 1.00 0.00 C ATOM 212 NE2 HIS A 349 26.225 3.476 7.666 1.00 0.00 N ATOM 0 H HIS A 349 29.445 2.283 9.175 1.00 0.00 H new ATOM 0 HA HIS A 349 29.973 3.508 11.649 1.00 0.00 H new ATOM 0 HB2 HIS A 349 28.723 5.399 10.672 1.00 0.00 H new ATOM 0 HB3 HIS A 349 29.802 4.705 9.479 1.00 0.00 H new ATOM 0 HD2 HIS A 349 28.043 2.341 8.161 1.00 0.00 H new ATOM 0 HE1 HIS A 349 24.906 5.150 7.842 1.00 0.00 H new ATOM 0 HE2 HIS A 349 25.750 2.887 6.982 1.00 0.00 H new ATOM 220 N LEU A 350 27.212 1.933 11.543 1.00 0.00 N ATOM 221 CA LEU A 350 26.006 1.571 12.283 1.00 0.00 C ATOM 222 C LEU A 350 26.100 0.134 12.785 1.00 0.00 C ATOM 223 O LEU A 350 25.124 -0.615 12.741 1.00 0.00 O ATOM 224 CB LEU A 350 24.777 1.715 11.382 1.00 0.00 C ATOM 225 CG LEU A 350 24.654 3.165 10.908 1.00 0.00 C ATOM 226 CD1 LEU A 350 23.510 3.276 9.898 1.00 0.00 C ATOM 227 CD2 LEU A 350 24.368 4.086 12.101 1.00 0.00 C ATOM 0 H LEU A 350 27.472 1.274 10.809 1.00 0.00 H new ATOM 0 HA LEU A 350 25.912 2.241 13.138 1.00 0.00 H new ATOM 0 HB2 LEU A 350 24.862 1.048 10.524 1.00 0.00 H new ATOM 0 HB3 LEU A 350 23.879 1.422 11.926 1.00 0.00 H new ATOM 0 HG LEU A 350 25.591 3.466 10.439 1.00 0.00 H new ATOM 0 HD11 LEU A 350 23.422 4.309 9.560 1.00 0.00 H new ATOM 0 HD12 LEU A 350 23.715 2.631 9.044 1.00 0.00 H new ATOM 0 HD13 LEU A 350 22.577 2.968 10.370 1.00 0.00 H new ATOM 0 HD21 LEU A 350 24.282 5.116 11.753 1.00 0.00 H new ATOM 0 HD22 LEU A 350 23.435 3.785 12.578 1.00 0.00 H new ATOM 0 HD23 LEU A 350 25.183 4.013 12.821 1.00 0.00 H new ATOM 239 N SER A 351 27.281 -0.246 13.261 1.00 0.00 N ATOM 240 CA SER A 351 27.491 -1.598 13.768 1.00 0.00 C ATOM 241 C SER A 351 26.296 -2.051 14.599 1.00 0.00 C ATOM 242 O SER A 351 26.165 -1.685 15.767 1.00 0.00 O ATOM 243 CB SER A 351 28.758 -1.646 14.622 1.00 0.00 C ATOM 244 OG SER A 351 28.739 -2.820 15.424 1.00 0.00 O ATOM 0 H SER A 351 28.102 0.358 13.307 1.00 0.00 H new ATOM 0 HA SER A 351 27.602 -2.271 12.917 1.00 0.00 H new ATOM 0 HB2 SER A 351 29.641 -1.642 13.983 1.00 0.00 H new ATOM 0 HB3 SER A 351 28.818 -0.760 15.255 1.00 0.00 H new ATOM 0 HG SER A 351 29.551 -2.855 15.972 1.00 0.00 H new ATOM 250 N GLY A 352 25.423 -2.844 13.986 1.00 0.00 N ATOM 251 CA GLY A 352 24.238 -3.338 14.674 1.00 0.00 C ATOM 252 C GLY A 352 23.053 -3.368 13.722 1.00 0.00 C ATOM 253 O GLY A 352 22.294 -4.334 13.684 1.00 0.00 O ATOM 0 H GLY A 352 25.514 -3.156 13.019 1.00 0.00 H new ATOM 0 HA2 GLY A 352 24.426 -4.338 15.064 1.00 0.00 H new ATOM 0 HA3 GLY A 352 24.012 -2.700 15.528 1.00 0.00 H new ATOM 257 N ILE A 353 22.910 -2.301 12.947 1.00 0.00 N ATOM 258 CA ILE A 353 21.826 -2.207 11.981 1.00 0.00 C ATOM 259 C ILE A 353 22.320 -2.615 10.597 1.00 0.00 C ATOM 260 O ILE A 353 21.606 -3.268 9.836 1.00 0.00 O ATOM 261 CB ILE A 353 21.298 -0.773 11.932 1.00 0.00 C ATOM 262 CG1 ILE A 353 20.613 -0.439 13.260 1.00 0.00 C ATOM 263 CG2 ILE A 353 20.289 -0.637 10.791 1.00 0.00 C ATOM 264 CD1 ILE A 353 21.108 0.919 13.761 1.00 0.00 C ATOM 0 H ILE A 353 23.530 -1.491 12.969 1.00 0.00 H new ATOM 0 HA ILE A 353 21.024 -2.879 12.287 1.00 0.00 H new ATOM 0 HB ILE A 353 22.128 -0.086 11.765 1.00 0.00 H new ATOM 0 HG12 ILE A 353 19.531 -0.418 13.128 1.00 0.00 H new ATOM 0 HG13 ILE A 353 20.829 -1.212 13.998 1.00 0.00 H new ATOM 0 HG21 ILE A 353 19.913 0.386 10.757 1.00 0.00 H new ATOM 0 HG22 ILE A 353 20.775 -0.876 9.845 1.00 0.00 H new ATOM 0 HG23 ILE A 353 19.458 -1.323 10.956 1.00 0.00 H new ATOM 0 HD11 ILE A 353 20.621 1.158 14.706 1.00 0.00 H new ATOM 0 HD12 ILE A 353 22.187 0.881 13.908 1.00 0.00 H new ATOM 0 HD13 ILE A 353 20.869 1.687 13.026 1.00 0.00 H new ATOM 276 N MET A 354 23.548 -2.216 10.287 1.00 0.00 N ATOM 277 CA MET A 354 24.157 -2.518 8.996 1.00 0.00 C ATOM 278 C MET A 354 24.496 -3.999 8.879 1.00 0.00 C ATOM 279 O MET A 354 24.568 -4.543 7.778 1.00 0.00 O ATOM 280 CB MET A 354 25.432 -1.692 8.821 1.00 0.00 C ATOM 281 CG MET A 354 26.463 -2.117 9.869 1.00 0.00 C ATOM 282 SD MET A 354 27.401 -3.537 9.251 1.00 0.00 S ATOM 283 CE MET A 354 28.279 -3.913 10.787 1.00 0.00 C ATOM 0 H MET A 354 24.145 -1.679 10.916 1.00 0.00 H new ATOM 0 HA MET A 354 23.439 -2.265 8.216 1.00 0.00 H new ATOM 0 HB2 MET A 354 25.836 -1.835 7.819 1.00 0.00 H new ATOM 0 HB3 MET A 354 25.208 -0.630 8.926 1.00 0.00 H new ATOM 0 HG2 MET A 354 27.138 -1.289 10.088 1.00 0.00 H new ATOM 0 HG3 MET A 354 25.963 -2.376 10.802 1.00 0.00 H new ATOM 0 HE1 MET A 354 28.956 -4.752 10.623 1.00 0.00 H new ATOM 0 HE2 MET A 354 28.852 -3.041 11.102 1.00 0.00 H new ATOM 0 HE3 MET A 354 27.559 -4.174 11.563 1.00 0.00 H new