USER MOD reduce.3.24.130724 H: found=0, std=0, add=143, rem=0, adj=9 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+ 160:sc= -0.0164 (180deg=-0.233) USER MOD Single : A 338 SER OG : rot 56:sc=0.000514 USER MOD Single : A 339 TYR OH : rot -51:sc= 0.218 USER MOD Single : A 340 MET CE :methyl 172:sc= 0 (180deg=-0.115) USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot -15:sc= 0.791 USER MOD Single : A 349 HIS :FLIP no HD1:sc= -2.13 F(o=-4,f=-2.1) USER MOD Single : A 351 SER OG : rot 180:sc= 0 USER MOD Single : A 354 MET CE :methyl 178:sc= -0.0923 (180deg=-0.102) USER MOD ----------------------------------------------------------------- ATOM 7 N LYS A 337 36.584 9.449 -6.047 1.00 0.00 N ATOM 8 CA LYS A 337 36.291 9.099 -4.661 1.00 0.00 C ATOM 9 C LYS A 337 34.792 9.189 -4.377 1.00 0.00 C ATOM 10 O LYS A 337 34.382 9.353 -3.226 1.00 0.00 O ATOM 11 CB LYS A 337 37.063 10.029 -3.712 1.00 0.00 C ATOM 12 CG LYS A 337 36.444 11.435 -3.697 1.00 0.00 C ATOM 13 CD LYS A 337 36.275 11.956 -5.127 1.00 0.00 C ATOM 14 CE LYS A 337 36.051 13.468 -5.094 1.00 0.00 C ATOM 15 NZ LYS A 337 37.343 14.156 -4.814 1.00 0.00 N ATOM 0 HA LYS A 337 36.607 8.069 -4.494 1.00 0.00 H new ATOM 0 HB2 LYS A 337 37.056 9.614 -2.704 1.00 0.00 H new ATOM 0 HB3 LYS A 337 38.105 10.090 -4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 337 35.477 11.409 -3.196 1.00 0.00 H new ATOM 0 HG3 LYS A 337 37.080 12.114 -3.128 1.00 0.00 H new ATOM 0 HD2 LYS A 337 37.160 11.721 -5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 337 35.430 11.463 -5.608 1.00 0.00 H new ATOM 0 HE2 LYS A 337 35.645 13.807 -6.047 1.00 0.00 H new ATOM 0 HE3 LYS A 337 35.318 13.721 -4.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 37.281 15.149 -5.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 37.543 14.118 -3.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 38.109 13.682 -5.334 1.00 0.00 H new ATOM 29 N SER A 338 33.978 9.078 -5.427 1.00 0.00 N ATOM 30 CA SER A 338 32.527 9.153 -5.274 1.00 0.00 C ATOM 31 C SER A 338 31.860 7.834 -5.663 1.00 0.00 C ATOM 32 O SER A 338 31.074 7.783 -6.609 1.00 0.00 O ATOM 33 CB SER A 338 31.972 10.278 -6.149 1.00 0.00 C ATOM 34 OG SER A 338 32.581 10.217 -7.433 1.00 0.00 O ATOM 0 H SER A 338 34.297 8.937 -6.386 1.00 0.00 H new ATOM 0 HA SER A 338 32.309 9.354 -4.225 1.00 0.00 H new ATOM 0 HB2 SER A 338 30.890 10.182 -6.242 1.00 0.00 H new ATOM 0 HB3 SER A 338 32.168 11.245 -5.686 1.00 0.00 H new ATOM 0 HG SER A 338 32.434 9.330 -7.823 1.00 0.00 H new ATOM 40 N TYR A 339 32.168 6.773 -4.923 1.00 0.00 N ATOM 41 CA TYR A 339 31.579 5.464 -5.197 1.00 0.00 C ATOM 42 C TYR A 339 32.137 4.408 -4.232 1.00 0.00 C ATOM 43 O TYR A 339 31.812 4.420 -3.045 1.00 0.00 O ATOM 44 CB TYR A 339 31.826 5.072 -6.665 1.00 0.00 C ATOM 45 CG TYR A 339 33.090 5.730 -7.177 1.00 0.00 C ATOM 46 CD1 TYR A 339 34.218 5.843 -6.355 1.00 0.00 C ATOM 47 CD2 TYR A 339 33.124 6.232 -8.484 1.00 0.00 C ATOM 48 CE1 TYR A 339 35.379 6.456 -6.840 1.00 0.00 C ATOM 49 CE2 TYR A 339 34.284 6.847 -8.968 1.00 0.00 C ATOM 50 CZ TYR A 339 35.413 6.958 -8.146 1.00 0.00 C ATOM 51 OH TYR A 339 36.558 7.561 -8.624 1.00 0.00 O ATOM 0 H TYR A 339 32.816 6.792 -4.136 1.00 0.00 H new ATOM 0 HA TYR A 339 30.502 5.518 -5.037 1.00 0.00 H new ATOM 0 HB2 TYR A 339 31.911 3.989 -6.750 1.00 0.00 H new ATOM 0 HB3 TYR A 339 30.976 5.374 -7.277 1.00 0.00 H new ATOM 0 HD1 TYR A 339 34.192 5.457 -5.347 1.00 0.00 H new ATOM 0 HD2 TYR A 339 32.255 6.144 -9.119 1.00 0.00 H new ATOM 0 HE1 TYR A 339 36.249 6.542 -6.206 1.00 0.00 H new ATOM 0 HE2 TYR A 339 34.309 7.236 -9.975 1.00 0.00 H new ATOM 0 HH TYR A 339 36.857 8.246 -7.989 1.00 0.00 H new ATOM 61 N MET A 340 32.978 3.506 -4.733 1.00 0.00 N ATOM 62 CA MET A 340 33.560 2.470 -3.887 1.00 0.00 C ATOM 63 C MET A 340 34.420 3.101 -2.800 1.00 0.00 C ATOM 64 O MET A 340 34.975 2.408 -1.947 1.00 0.00 O ATOM 65 CB MET A 340 34.411 1.520 -4.733 1.00 0.00 C ATOM 66 CG MET A 340 35.537 2.302 -5.412 1.00 0.00 C ATOM 67 SD MET A 340 36.964 2.394 -4.302 1.00 0.00 S ATOM 68 CE MET A 340 37.760 3.820 -5.081 1.00 0.00 C ATOM 0 H MET A 340 33.269 3.472 -5.710 1.00 0.00 H new ATOM 0 HA MET A 340 32.753 1.907 -3.419 1.00 0.00 H new ATOM 0 HB2 MET A 340 34.829 0.734 -4.105 1.00 0.00 H new ATOM 0 HB3 MET A 340 33.790 1.032 -5.484 1.00 0.00 H new ATOM 0 HG2 MET A 340 35.820 1.816 -6.346 1.00 0.00 H new ATOM 0 HG3 MET A 340 35.195 3.305 -5.666 1.00 0.00 H new ATOM 0 HE1 MET A 340 38.600 4.147 -4.468 1.00 0.00 H new ATOM 0 HE2 MET A 340 38.120 3.540 -6.071 1.00 0.00 H new ATOM 0 HE3 MET A 340 37.040 4.633 -5.174 1.00 0.00 H new ATOM 78 N ALA A 341 34.527 4.423 -2.846 1.00 0.00 N ATOM 79 CA ALA A 341 35.322 5.155 -1.870 1.00 0.00 C ATOM 80 C ALA A 341 34.456 5.633 -0.711 1.00 0.00 C ATOM 81 O ALA A 341 34.906 5.680 0.434 1.00 0.00 O ATOM 82 CB ALA A 341 35.968 6.365 -2.541 1.00 0.00 C ATOM 0 H ALA A 341 34.074 5.009 -3.548 1.00 0.00 H new ATOM 0 HA ALA A 341 36.089 4.485 -1.482 1.00 0.00 H new ATOM 0 HB1 ALA A 341 36.563 6.912 -1.810 1.00 0.00 H new ATOM 0 HB2 ALA A 341 36.612 6.030 -3.354 1.00 0.00 H new ATOM 0 HB3 ALA A 341 35.191 7.018 -2.939 1.00 0.00 H new ATOM 88 N TYR A 342 33.220 6.006 -1.021 1.00 0.00 N ATOM 89 CA TYR A 342 32.309 6.502 -0.002 1.00 0.00 C ATOM 90 C TYR A 342 31.422 5.384 0.548 1.00 0.00 C ATOM 91 O TYR A 342 31.284 5.244 1.764 1.00 0.00 O ATOM 92 CB TYR A 342 31.443 7.619 -0.592 1.00 0.00 C ATOM 93 CG TYR A 342 30.102 7.060 -0.992 1.00 0.00 C ATOM 94 CD1 TYR A 342 29.082 6.926 -0.042 1.00 0.00 C ATOM 95 CD2 TYR A 342 29.882 6.666 -2.317 1.00 0.00 C ATOM 96 CE1 TYR A 342 27.842 6.396 -0.418 1.00 0.00 C ATOM 97 CE2 TYR A 342 28.641 6.137 -2.692 1.00 0.00 C ATOM 98 CZ TYR A 342 27.621 6.002 -1.743 1.00 0.00 C ATOM 99 OH TYR A 342 26.399 5.480 -2.114 1.00 0.00 O ATOM 0 H TYR A 342 32.830 5.974 -1.963 1.00 0.00 H new ATOM 0 HA TYR A 342 32.900 6.893 0.826 1.00 0.00 H new ATOM 0 HB2 TYR A 342 31.312 8.417 0.139 1.00 0.00 H new ATOM 0 HB3 TYR A 342 31.938 8.058 -1.458 1.00 0.00 H new ATOM 0 HD1 TYR A 342 29.252 7.231 0.980 1.00 0.00 H new ATOM 0 HD2 TYR A 342 30.669 6.770 -3.049 1.00 0.00 H new ATOM 0 HE1 TYR A 342 27.055 6.291 0.315 1.00 0.00 H new ATOM 0 HE2 TYR A 342 28.471 5.833 -3.714 1.00 0.00 H new ATOM 0 HH TYR A 342 26.414 5.259 -3.069 1.00 0.00 H new ATOM 109 N LEU A 343 30.814 4.596 -0.339 1.00 0.00 N ATOM 110 CA LEU A 343 29.944 3.516 0.112 1.00 0.00 C ATOM 111 C LEU A 343 30.745 2.474 0.882 1.00 0.00 C ATOM 112 O LEU A 343 30.178 1.633 1.581 1.00 0.00 O ATOM 113 CB LEU A 343 29.211 2.866 -1.073 1.00 0.00 C ATOM 114 CG LEU A 343 30.192 2.073 -1.945 1.00 0.00 C ATOM 115 CD1 LEU A 343 30.113 0.582 -1.597 1.00 0.00 C ATOM 116 CD2 LEU A 343 29.821 2.254 -3.422 1.00 0.00 C ATOM 0 H LEU A 343 30.906 4.683 -1.351 1.00 0.00 H new ATOM 0 HA LEU A 343 29.194 3.941 0.779 1.00 0.00 H new ATOM 0 HB2 LEU A 343 28.427 2.204 -0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 343 28.723 3.635 -1.672 1.00 0.00 H new ATOM 0 HG LEU A 343 31.203 2.438 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 343 30.813 0.025 -2.220 1.00 0.00 H new ATOM 0 HD12 LEU A 343 30.370 0.439 -0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 343 29.101 0.220 -1.775 1.00 0.00 H new ATOM 0 HD21 LEU A 343 30.517 1.691 -4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 343 28.808 1.889 -3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 343 29.874 3.311 -3.684 1.00 0.00 H new ATOM 128 N SER A 344 32.065 2.545 0.763 1.00 0.00 N ATOM 129 CA SER A 344 32.936 1.613 1.467 1.00 0.00 C ATOM 130 C SER A 344 33.337 2.195 2.817 1.00 0.00 C ATOM 131 O SER A 344 34.075 1.573 3.581 1.00 0.00 O ATOM 132 CB SER A 344 34.189 1.336 0.636 1.00 0.00 C ATOM 133 OG SER A 344 35.070 0.505 1.380 1.00 0.00 O ATOM 0 H SER A 344 32.553 3.233 0.190 1.00 0.00 H new ATOM 0 HA SER A 344 32.397 0.679 1.624 1.00 0.00 H new ATOM 0 HB2 SER A 344 33.918 0.851 -0.302 1.00 0.00 H new ATOM 0 HB3 SER A 344 34.684 2.273 0.379 1.00 0.00 H new ATOM 0 HG SER A 344 34.798 0.500 2.321 1.00 0.00 H new ATOM 139 N ALA A 345 32.842 3.398 3.098 1.00 0.00 N ATOM 140 CA ALA A 345 33.145 4.078 4.353 1.00 0.00 C ATOM 141 C ALA A 345 31.871 4.319 5.154 1.00 0.00 C ATOM 142 O ALA A 345 31.827 5.194 6.020 1.00 0.00 O ATOM 143 CB ALA A 345 33.820 5.419 4.061 1.00 0.00 C ATOM 0 H ALA A 345 32.229 3.921 2.473 1.00 0.00 H new ATOM 0 HA ALA A 345 33.814 3.446 4.937 1.00 0.00 H new ATOM 0 HB1 ALA A 345 34.045 5.925 5.000 1.00 0.00 H new ATOM 0 HB2 ALA A 345 34.745 5.248 3.510 1.00 0.00 H new ATOM 0 HB3 ALA A 345 33.152 6.041 3.465 1.00 0.00 H new ATOM 149 N GLU A 346 30.835 3.543 4.858 1.00 0.00 N ATOM 150 CA GLU A 346 29.561 3.688 5.556 1.00 0.00 C ATOM 151 C GLU A 346 28.833 2.351 5.629 1.00 0.00 C ATOM 152 O GLU A 346 27.646 2.264 5.311 1.00 0.00 O ATOM 153 CB GLU A 346 28.684 4.705 4.829 1.00 0.00 C ATOM 154 CG GLU A 346 28.638 4.361 3.341 1.00 0.00 C ATOM 155 CD GLU A 346 27.191 4.286 2.865 1.00 0.00 C ATOM 156 OE1 GLU A 346 26.670 5.307 2.448 1.00 0.00 O ATOM 157 OE2 GLU A 346 26.624 3.207 2.925 1.00 0.00 O ATOM 0 H GLU A 346 30.850 2.813 4.146 1.00 0.00 H new ATOM 0 HA GLU A 346 29.762 4.035 6.570 1.00 0.00 H new ATOM 0 HB2 GLU A 346 27.677 4.698 5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 346 29.081 5.710 4.969 1.00 0.00 H new ATOM 0 HG2 GLU A 346 29.179 5.115 2.769 1.00 0.00 H new ATOM 0 HG3 GLU A 346 29.137 3.408 3.164 1.00 0.00 H new ATOM 164 N LEU A 347 29.552 1.314 6.049 1.00 0.00 N ATOM 165 CA LEU A 347 28.967 -0.019 6.164 1.00 0.00 C ATOM 166 C LEU A 347 29.177 -0.572 7.569 1.00 0.00 C ATOM 167 O LEU A 347 28.759 -1.687 7.880 1.00 0.00 O ATOM 168 CB LEU A 347 29.600 -0.958 5.135 1.00 0.00 C ATOM 169 CG LEU A 347 31.094 -1.110 5.428 1.00 0.00 C ATOM 170 CD1 LEU A 347 31.379 -2.531 5.918 1.00 0.00 C ATOM 171 CD2 LEU A 347 31.891 -0.845 4.148 1.00 0.00 C ATOM 0 H LEU A 347 30.535 1.370 6.314 1.00 0.00 H new ATOM 0 HA LEU A 347 27.896 0.052 5.972 1.00 0.00 H new ATOM 0 HB2 LEU A 347 29.112 -1.932 5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 347 29.455 -0.563 4.130 1.00 0.00 H new ATOM 0 HG LEU A 347 31.387 -0.396 6.197 1.00 0.00 H new ATOM 0 HD11 LEU A 347 32.444 -2.637 6.126 1.00 0.00 H new ATOM 0 HD12 LEU A 347 30.810 -2.723 6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 347 31.086 -3.246 5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 347 32.956 -0.953 4.354 1.00 0.00 H new ATOM 0 HD22 LEU A 347 31.596 -1.561 3.381 1.00 0.00 H new ATOM 0 HD23 LEU A 347 31.690 0.167 3.797 1.00 0.00 H new ATOM 183 N PHE A 348 29.824 0.221 8.415 1.00 0.00 N ATOM 184 CA PHE A 348 30.083 -0.186 9.790 1.00 0.00 C ATOM 185 C PHE A 348 29.806 0.974 10.740 1.00 0.00 C ATOM 186 O PHE A 348 29.800 0.805 11.960 1.00 0.00 O ATOM 187 CB PHE A 348 31.539 -0.639 9.939 1.00 0.00 C ATOM 188 CG PHE A 348 32.373 -0.044 8.826 1.00 0.00 C ATOM 189 CD1 PHE A 348 32.341 1.334 8.588 1.00 0.00 C ATOM 190 CD2 PHE A 348 33.176 -0.873 8.032 1.00 0.00 C ATOM 191 CE1 PHE A 348 33.111 1.886 7.557 1.00 0.00 C ATOM 192 CE2 PHE A 348 33.947 -0.321 7.002 1.00 0.00 C ATOM 193 CZ PHE A 348 33.915 1.057 6.764 1.00 0.00 C ATOM 0 H PHE A 348 30.178 1.147 8.174 1.00 0.00 H new ATOM 0 HA PHE A 348 29.423 -1.017 10.039 1.00 0.00 H new ATOM 0 HB2 PHE A 348 31.930 -0.326 10.907 1.00 0.00 H new ATOM 0 HB3 PHE A 348 31.597 -1.727 9.908 1.00 0.00 H new ATOM 0 HD1 PHE A 348 31.722 1.973 9.200 1.00 0.00 H new ATOM 0 HD2 PHE A 348 33.200 -1.937 8.214 1.00 0.00 H new ATOM 0 HE1 PHE A 348 33.085 2.950 7.373 1.00 0.00 H new ATOM 0 HE2 PHE A 348 34.567 -0.960 6.391 1.00 0.00 H new ATOM 0 HZ PHE A 348 34.510 1.482 5.969 1.00 0.00 H new ATOM 203 N HIS A 349 29.589 2.154 10.167 1.00 0.00 N ATOM 204 CA HIS A 349 29.324 3.344 10.961 1.00 0.00 C ATOM 205 C HIS A 349 28.111 3.139 11.863 1.00 0.00 C ATOM 206 O HIS A 349 27.892 3.906 12.801 1.00 0.00 O ATOM 207 CB HIS A 349 29.100 4.552 10.043 1.00 0.00 C ATOM 208 CG HIS A 349 27.917 4.313 9.141 1.00 0.00 C ATOM 209 ND1 HIS A 349 27.559 3.250 8.349 1.00 0.00 N flip ATOM 210 CD2 HIS A 349 26.928 5.268 8.959 1.00 0.00 C flip ATOM 211 CE1 HIS A 349 26.370 3.538 7.687 1.00 0.00 C flip ATOM 212 NE2 HIS A 349 26.033 4.766 8.090 1.00 0.00 N flip ATOM 0 H HIS A 349 29.592 2.309 9.159 1.00 0.00 H new ATOM 0 HA HIS A 349 30.192 3.532 11.593 1.00 0.00 H new ATOM 0 HB2 HIS A 349 28.933 5.447 10.643 1.00 0.00 H new ATOM 0 HB3 HIS A 349 29.992 4.732 9.443 1.00 0.00 H new ATOM 0 HD2 HIS A 349 26.885 6.239 9.430 1.00 0.00 H new ATOM 0 HE1 HIS A 349 25.834 2.905 6.996 1.00 0.00 H new ATOM 0 HE2 HIS A 349 25.199 5.262 7.777 1.00 0.00 H new ATOM 220 N LEU A 350 27.329 2.099 11.577 1.00 0.00 N ATOM 221 CA LEU A 350 26.142 1.797 12.373 1.00 0.00 C ATOM 222 C LEU A 350 26.206 0.370 12.908 1.00 0.00 C ATOM 223 O LEU A 350 25.224 -0.370 12.846 1.00 0.00 O ATOM 224 CB LEU A 350 24.883 1.967 11.518 1.00 0.00 C ATOM 225 CG LEU A 350 24.841 3.383 10.943 1.00 0.00 C ATOM 226 CD1 LEU A 350 23.622 3.530 10.029 1.00 0.00 C ATOM 227 CD2 LEU A 350 24.746 4.407 12.081 1.00 0.00 C ATOM 0 H LEU A 350 27.495 1.455 10.804 1.00 0.00 H new ATOM 0 HA LEU A 350 26.106 2.488 13.215 1.00 0.00 H new ATOM 0 HB2 LEU A 350 24.878 1.235 10.710 1.00 0.00 H new ATOM 0 HB3 LEU A 350 23.994 1.782 12.121 1.00 0.00 H new ATOM 0 HG LEU A 350 25.752 3.561 10.372 1.00 0.00 H new ATOM 0 HD11 LEU A 350 23.594 4.540 9.620 1.00 0.00 H new ATOM 0 HD12 LEU A 350 23.690 2.810 9.213 1.00 0.00 H new ATOM 0 HD13 LEU A 350 22.713 3.345 10.602 1.00 0.00 H new ATOM 0 HD21 LEU A 350 24.717 5.413 11.663 1.00 0.00 H new ATOM 0 HD22 LEU A 350 23.839 4.227 12.658 1.00 0.00 H new ATOM 0 HD23 LEU A 350 25.615 4.310 12.732 1.00 0.00 H new ATOM 239 N SER A 351 27.367 -0.008 13.432 1.00 0.00 N ATOM 240 CA SER A 351 27.548 -1.350 13.974 1.00 0.00 C ATOM 241 C SER A 351 26.356 -1.742 14.842 1.00 0.00 C ATOM 242 O SER A 351 26.243 -1.314 15.990 1.00 0.00 O ATOM 243 CB SER A 351 28.830 -1.409 14.805 1.00 0.00 C ATOM 244 OG SER A 351 28.788 -2.549 15.652 1.00 0.00 O ATOM 0 H SER A 351 28.191 0.590 13.493 1.00 0.00 H new ATOM 0 HA SER A 351 27.623 -2.051 13.143 1.00 0.00 H new ATOM 0 HB2 SER A 351 29.700 -1.460 14.150 1.00 0.00 H new ATOM 0 HB3 SER A 351 28.933 -0.502 15.401 1.00 0.00 H new ATOM 0 HG SER A 351 29.609 -2.591 16.185 1.00 0.00 H new ATOM 250 N GLY A 352 25.469 -2.556 14.281 1.00 0.00 N ATOM 251 CA GLY A 352 24.285 -2.999 15.005 1.00 0.00 C ATOM 252 C GLY A 352 23.077 -2.995 14.080 1.00 0.00 C ATOM 253 O GLY A 352 22.320 -3.962 14.021 1.00 0.00 O ATOM 0 H GLY A 352 25.547 -2.921 13.332 1.00 0.00 H new ATOM 0 HA2 GLY A 352 24.446 -4.001 15.402 1.00 0.00 H new ATOM 0 HA3 GLY A 352 24.103 -2.344 15.857 1.00 0.00 H new ATOM 257 N ILE A 353 22.915 -1.899 13.349 1.00 0.00 N ATOM 258 CA ILE A 353 21.809 -1.772 12.413 1.00 0.00 C ATOM 259 C ILE A 353 22.234 -2.265 11.034 1.00 0.00 C ATOM 260 O ILE A 353 21.487 -2.960 10.350 1.00 0.00 O ATOM 261 CB ILE A 353 21.367 -0.311 12.323 1.00 0.00 C ATOM 262 CG1 ILE A 353 20.853 0.150 13.689 1.00 0.00 C ATOM 263 CG2 ILE A 353 20.249 -0.178 11.288 1.00 0.00 C ATOM 264 CD1 ILE A 353 21.467 1.508 14.033 1.00 0.00 C ATOM 0 H ILE A 353 23.534 -1.089 13.387 1.00 0.00 H new ATOM 0 HA ILE A 353 20.975 -2.378 12.768 1.00 0.00 H new ATOM 0 HB ILE A 353 22.214 0.307 12.024 1.00 0.00 H new ATOM 0 HG12 ILE A 353 19.766 0.224 13.674 1.00 0.00 H new ATOM 0 HG13 ILE A 353 21.112 -0.583 14.453 1.00 0.00 H new ATOM 0 HG21 ILE A 353 19.934 0.864 11.224 1.00 0.00 H new ATOM 0 HG22 ILE A 353 20.613 -0.507 10.315 1.00 0.00 H new ATOM 0 HG23 ILE A 353 19.402 -0.795 11.586 1.00 0.00 H new ATOM 0 HD11 ILE A 353 21.101 1.837 15.006 1.00 0.00 H new ATOM 0 HD12 ILE A 353 22.553 1.419 14.065 1.00 0.00 H new ATOM 0 HD13 ILE A 353 21.185 2.238 13.274 1.00 0.00 H new ATOM 276 N MET A 354 23.450 -1.901 10.643 1.00 0.00 N ATOM 277 CA MET A 354 23.990 -2.303 9.349 1.00 0.00 C ATOM 278 C MET A 354 24.317 -3.790 9.348 1.00 0.00 C ATOM 279 O MET A 354 24.424 -4.415 8.293 1.00 0.00 O ATOM 280 CB MET A 354 25.259 -1.508 9.043 1.00 0.00 C ATOM 281 CG MET A 354 26.346 -1.883 10.051 1.00 0.00 C ATOM 282 SD MET A 354 27.265 -3.317 9.436 1.00 0.00 S ATOM 283 CE MET A 354 28.112 -3.727 10.983 1.00 0.00 C ATOM 0 H MET A 354 24.081 -1.328 11.203 1.00 0.00 H new ATOM 0 HA MET A 354 23.239 -2.102 8.585 1.00 0.00 H new ATOM 0 HB2 MET A 354 25.599 -1.719 8.029 1.00 0.00 H new ATOM 0 HB3 MET A 354 25.053 -0.439 9.094 1.00 0.00 H new ATOM 0 HG2 MET A 354 27.022 -1.042 10.204 1.00 0.00 H new ATOM 0 HG3 MET A 354 25.898 -2.111 11.018 1.00 0.00 H new ATOM 0 HE1 MET A 354 28.719 -4.621 10.840 1.00 0.00 H new ATOM 0 HE2 MET A 354 28.753 -2.896 11.278 1.00 0.00 H new ATOM 0 HE3 MET A 354 27.374 -3.911 11.764 1.00 0.00 H new