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 65:sc= 0.0254 USER MOD Single : A 339 TYR OH : rot -51:sc= 0.102 USER MOD Single : A 340 MET CE :methyl -146:sc= -3.4 (180deg=-7.15!) USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot -24:sc= 0.837 USER MOD Single : A 349 HIS : no HD1:sc= -5.91! C(o=-5.9!,f=-5.1!) USER MOD Single : A 351 SER OG : rot -102:sc= 0.115 USER MOD Single : A 354 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 7 N LYS A 337 36.351 9.558 -6.114 1.00 0.00 N ATOM 8 CA LYS A 337 36.095 9.177 -4.730 1.00 0.00 C ATOM 9 C LYS A 337 34.599 9.209 -4.421 1.00 0.00 C ATOM 10 O LYS A 337 34.200 9.321 -3.262 1.00 0.00 O ATOM 11 CB LYS A 337 36.851 10.117 -3.779 1.00 0.00 C ATOM 12 CG LYS A 337 36.169 11.494 -3.715 1.00 0.00 C ATOM 13 CD LYS A 337 35.922 12.027 -5.128 1.00 0.00 C ATOM 14 CE LYS A 337 35.609 13.523 -5.057 1.00 0.00 C ATOM 15 NZ LYS A 337 35.435 14.060 -6.436 1.00 0.00 N ATOM 0 HA LYS A 337 36.450 8.157 -4.584 1.00 0.00 H new ATOM 0 HB2 LYS A 337 36.889 9.679 -2.782 1.00 0.00 H new ATOM 0 HB3 LYS A 337 37.881 10.232 -4.117 1.00 0.00 H new ATOM 0 HG2 LYS A 337 35.224 11.415 -3.178 1.00 0.00 H new ATOM 0 HG3 LYS A 337 36.795 12.192 -3.159 1.00 0.00 H new ATOM 0 HD2 LYS A 337 36.799 11.857 -5.752 1.00 0.00 H new ATOM 0 HD3 LYS A 337 35.093 11.492 -5.591 1.00 0.00 H new ATOM 0 HE2 LYS A 337 34.703 13.689 -4.474 1.00 0.00 H new ATOM 0 HE3 LYS A 337 36.416 14.051 -4.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 35.222 15.077 -6.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 36.310 13.915 -6.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 34.651 13.564 -6.905 1.00 0.00 H new ATOM 29 N SER A 338 33.777 9.109 -5.465 1.00 0.00 N ATOM 30 CA SER A 338 32.326 9.133 -5.294 1.00 0.00 C ATOM 31 C SER A 338 31.704 7.783 -5.644 1.00 0.00 C ATOM 32 O SER A 338 30.884 7.688 -6.557 1.00 0.00 O ATOM 33 CB SER A 338 31.720 10.217 -6.185 1.00 0.00 C ATOM 34 OG SER A 338 32.247 10.094 -7.500 1.00 0.00 O ATOM 0 H SER A 338 34.089 9.011 -6.431 1.00 0.00 H new ATOM 0 HA SER A 338 32.113 9.349 -4.247 1.00 0.00 H new ATOM 0 HB2 SER A 338 30.634 10.122 -6.206 1.00 0.00 H new ATOM 0 HB3 SER A 338 31.946 11.204 -5.781 1.00 0.00 H new ATOM 0 HG SER A 338 31.954 9.245 -7.892 1.00 0.00 H new ATOM 40 N TYR A 339 32.084 6.745 -4.904 1.00 0.00 N ATOM 41 CA TYR A 339 31.539 5.411 -5.143 1.00 0.00 C ATOM 42 C TYR A 339 32.170 4.390 -4.185 1.00 0.00 C ATOM 43 O TYR A 339 31.890 4.409 -2.988 1.00 0.00 O ATOM 44 CB TYR A 339 31.746 5.009 -6.613 1.00 0.00 C ATOM 45 CG TYR A 339 32.963 5.708 -7.178 1.00 0.00 C ATOM 46 CD1 TYR A 339 34.114 5.880 -6.399 1.00 0.00 C ATOM 47 CD2 TYR A 339 32.930 6.191 -8.492 1.00 0.00 C ATOM 48 CE1 TYR A 339 35.230 6.535 -6.933 1.00 0.00 C ATOM 49 CE2 TYR A 339 34.045 6.846 -9.026 1.00 0.00 C ATOM 50 CZ TYR A 339 35.195 7.018 -8.247 1.00 0.00 C ATOM 51 OH TYR A 339 36.295 7.663 -8.774 1.00 0.00 O ATOM 0 H TYR A 339 32.760 6.799 -4.142 1.00 0.00 H new ATOM 0 HA TYR A 339 30.467 5.426 -4.947 1.00 0.00 H new ATOM 0 HB2 TYR A 339 31.870 3.929 -6.688 1.00 0.00 H new ATOM 0 HB3 TYR A 339 30.863 5.270 -7.197 1.00 0.00 H new ATOM 0 HD1 TYR A 339 34.141 5.507 -5.386 1.00 0.00 H new ATOM 0 HD2 TYR A 339 32.043 6.058 -9.094 1.00 0.00 H new ATOM 0 HE1 TYR A 339 36.117 6.668 -6.332 1.00 0.00 H new ATOM 0 HE2 TYR A 339 34.018 7.219 -10.039 1.00 0.00 H new ATOM 0 HH TYR A 339 36.581 8.374 -8.164 1.00 0.00 H new ATOM 61 N MET A 340 33.018 3.509 -4.708 1.00 0.00 N ATOM 62 CA MET A 340 33.667 2.502 -3.876 1.00 0.00 C ATOM 63 C MET A 340 34.509 3.164 -2.793 1.00 0.00 C ATOM 64 O MET A 340 35.079 2.493 -1.933 1.00 0.00 O ATOM 65 CB MET A 340 34.556 1.610 -4.743 1.00 0.00 C ATOM 66 CG MET A 340 35.474 2.480 -5.604 1.00 0.00 C ATOM 67 SD MET A 340 34.756 2.665 -7.254 1.00 0.00 S ATOM 68 CE MET A 340 36.034 3.749 -7.937 1.00 0.00 C ATOM 0 H MET A 340 33.270 3.472 -5.696 1.00 0.00 H new ATOM 0 HA MET A 340 32.896 1.896 -3.399 1.00 0.00 H new ATOM 0 HB2 MET A 340 35.151 0.950 -4.112 1.00 0.00 H new ATOM 0 HB3 MET A 340 33.940 0.974 -5.379 1.00 0.00 H new ATOM 0 HG2 MET A 340 35.605 3.458 -5.141 1.00 0.00 H new ATOM 0 HG3 MET A 340 36.462 2.026 -5.675 1.00 0.00 H new ATOM 0 HE1 MET A 340 35.580 4.450 -8.637 1.00 0.00 H new ATOM 0 HE2 MET A 340 36.512 4.302 -7.129 1.00 0.00 H new ATOM 0 HE3 MET A 340 36.780 3.149 -8.457 1.00 0.00 H new ATOM 78 N ALA A 341 34.589 4.486 -2.854 1.00 0.00 N ATOM 79 CA ALA A 341 35.370 5.243 -1.887 1.00 0.00 C ATOM 80 C ALA A 341 34.507 5.700 -0.718 1.00 0.00 C ATOM 81 O ALA A 341 34.973 5.771 0.419 1.00 0.00 O ATOM 82 CB ALA A 341 35.971 6.469 -2.571 1.00 0.00 C ATOM 0 H ALA A 341 34.124 5.055 -3.561 1.00 0.00 H new ATOM 0 HA ALA A 341 36.159 4.595 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 341 36.557 7.038 -1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 341 36.616 6.149 -3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 341 35.170 7.096 -2.963 1.00 0.00 H new ATOM 88 N TYR A 342 33.254 6.030 -1.009 1.00 0.00 N ATOM 89 CA TYR A 342 32.346 6.505 0.024 1.00 0.00 C ATOM 90 C TYR A 342 31.498 5.369 0.595 1.00 0.00 C ATOM 91 O TYR A 342 31.381 5.232 1.813 1.00 0.00 O ATOM 92 CB TYR A 342 31.447 7.599 -0.553 1.00 0.00 C ATOM 93 CG TYR A 342 30.112 7.012 -0.927 1.00 0.00 C ATOM 94 CD1 TYR A 342 29.110 6.863 0.039 1.00 0.00 C ATOM 95 CD2 TYR A 342 29.876 6.608 -2.247 1.00 0.00 C ATOM 96 CE1 TYR A 342 27.873 6.311 -0.314 1.00 0.00 C ATOM 97 CE2 TYR A 342 28.639 6.056 -2.600 1.00 0.00 C ATOM 98 CZ TYR A 342 27.637 5.908 -1.633 1.00 0.00 C ATOM 99 OH TYR A 342 26.418 5.363 -1.982 1.00 0.00 O ATOM 0 H TYR A 342 32.848 5.978 -1.943 1.00 0.00 H new ATOM 0 HA TYR A 342 32.941 6.911 0.842 1.00 0.00 H new ATOM 0 HB2 TYR A 342 31.313 8.396 0.178 1.00 0.00 H new ATOM 0 HB3 TYR A 342 31.917 8.046 -1.429 1.00 0.00 H new ATOM 0 HD1 TYR A 342 29.291 7.174 1.057 1.00 0.00 H new ATOM 0 HD2 TYR A 342 30.649 6.722 -2.993 1.00 0.00 H new ATOM 0 HE1 TYR A 342 27.101 6.196 0.432 1.00 0.00 H new ATOM 0 HE2 TYR A 342 28.457 5.744 -3.618 1.00 0.00 H new ATOM 0 HH TYR A 342 26.421 5.139 -2.936 1.00 0.00 H new ATOM 109 N LEU A 343 30.897 4.558 -0.277 1.00 0.00 N ATOM 110 CA LEU A 343 30.063 3.459 0.195 1.00 0.00 C ATOM 111 C LEU A 343 30.905 2.437 0.948 1.00 0.00 C ATOM 112 O LEU A 343 30.375 1.591 1.670 1.00 0.00 O ATOM 113 CB LEU A 343 29.330 2.782 -0.971 1.00 0.00 C ATOM 114 CG LEU A 343 30.333 2.103 -1.909 1.00 0.00 C ATOM 115 CD1 LEU A 343 30.354 0.596 -1.639 1.00 0.00 C ATOM 116 CD2 LEU A 343 29.915 2.342 -3.365 1.00 0.00 C ATOM 0 H LEU A 343 30.971 4.640 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 343 29.317 3.872 0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 343 28.625 2.045 -0.587 1.00 0.00 H new ATOM 0 HB3 LEU A 343 28.749 3.521 -1.523 1.00 0.00 H new ATOM 0 HG LEU A 343 31.324 2.521 -1.734 1.00 0.00 H new ATOM 0 HD11 LEU A 343 31.068 0.116 -2.308 1.00 0.00 H new ATOM 0 HD12 LEU A 343 30.648 0.416 -0.605 1.00 0.00 H new ATOM 0 HD13 LEU A 343 29.361 0.182 -1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 343 30.629 1.859 -4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 343 28.922 1.924 -3.532 1.00 0.00 H new ATOM 0 HD23 LEU A 343 29.897 3.413 -3.567 1.00 0.00 H new ATOM 128 N SER A 344 32.219 2.529 0.786 1.00 0.00 N ATOM 129 CA SER A 344 33.128 1.615 1.465 1.00 0.00 C ATOM 130 C SER A 344 33.533 2.193 2.816 1.00 0.00 C ATOM 131 O SER A 344 34.346 1.609 3.533 1.00 0.00 O ATOM 132 CB SER A 344 34.373 1.382 0.611 1.00 0.00 C ATOM 133 OG SER A 344 35.230 0.460 1.273 1.00 0.00 O ATOM 0 H SER A 344 32.677 3.223 0.194 1.00 0.00 H new ATOM 0 HA SER A 344 32.619 0.664 1.620 1.00 0.00 H new ATOM 0 HB2 SER A 344 34.090 0.995 -0.368 1.00 0.00 H new ATOM 0 HB3 SER A 344 34.894 2.324 0.442 1.00 0.00 H new ATOM 0 HG SER A 344 35.054 0.483 2.237 1.00 0.00 H new ATOM 139 N ALA A 345 32.963 3.348 3.147 1.00 0.00 N ATOM 140 CA ALA A 345 33.265 4.017 4.410 1.00 0.00 C ATOM 141 C ALA A 345 32.000 4.187 5.246 1.00 0.00 C ATOM 142 O ALA A 345 32.009 4.870 6.270 1.00 0.00 O ATOM 143 CB ALA A 345 33.878 5.390 4.133 1.00 0.00 C ATOM 0 H ALA A 345 32.290 3.840 2.559 1.00 0.00 H new ATOM 0 HA ALA A 345 33.973 3.402 4.965 1.00 0.00 H new ATOM 0 HB1 ALA A 345 34.102 5.886 5.078 1.00 0.00 H new ATOM 0 HB2 ALA A 345 34.797 5.269 3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 345 33.173 5.995 3.564 1.00 0.00 H new ATOM 149 N GLU A 346 30.912 3.569 4.800 1.00 0.00 N ATOM 150 CA GLU A 346 29.643 3.665 5.515 1.00 0.00 C ATOM 151 C GLU A 346 28.903 2.332 5.476 1.00 0.00 C ATOM 152 O GLU A 346 27.797 2.238 4.944 1.00 0.00 O ATOM 153 CB GLU A 346 28.774 4.751 4.881 1.00 0.00 C ATOM 154 CG GLU A 346 28.633 4.477 3.384 1.00 0.00 C ATOM 155 CD GLU A 346 27.164 4.534 2.980 1.00 0.00 C ATOM 156 OE1 GLU A 346 26.678 5.629 2.747 1.00 0.00 O ATOM 157 OE2 GLU A 346 26.545 3.485 2.918 1.00 0.00 O ATOM 0 H GLU A 346 30.882 3.000 3.954 1.00 0.00 H new ATOM 0 HA GLU A 346 29.849 3.921 6.554 1.00 0.00 H new ATOM 0 HB2 GLU A 346 27.792 4.768 5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 346 29.222 5.731 5.042 1.00 0.00 H new ATOM 0 HG2 GLU A 346 29.204 5.212 2.816 1.00 0.00 H new ATOM 0 HG3 GLU A 346 29.047 3.497 3.145 1.00 0.00 H new ATOM 164 N LEU A 347 29.522 1.304 6.044 1.00 0.00 N ATOM 165 CA LEU A 347 28.917 -0.023 6.069 1.00 0.00 C ATOM 166 C LEU A 347 29.160 -0.689 7.417 1.00 0.00 C ATOM 167 O LEU A 347 28.860 -1.868 7.601 1.00 0.00 O ATOM 168 CB LEU A 347 29.510 -0.887 4.955 1.00 0.00 C ATOM 169 CG LEU A 347 31.030 -0.957 5.119 1.00 0.00 C ATOM 170 CD1 LEU A 347 31.450 -2.405 5.382 1.00 0.00 C ATOM 171 CD2 LEU A 347 31.702 -0.457 3.838 1.00 0.00 C ATOM 0 H LEU A 347 30.437 1.362 6.491 1.00 0.00 H new ATOM 0 HA LEU A 347 27.843 0.080 5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 347 29.083 -1.889 4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 347 29.257 -0.468 3.981 1.00 0.00 H new ATOM 0 HG LEU A 347 31.334 -0.333 5.959 1.00 0.00 H new ATOM 0 HD11 LEU A 347 32.533 -2.454 5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 347 30.970 -2.763 6.293 1.00 0.00 H new ATOM 0 HD13 LEU A 347 31.147 -3.030 4.542 1.00 0.00 H new ATOM 0 HD21 LEU A 347 32.785 -0.506 3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 347 31.397 -1.083 2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 347 31.403 0.574 3.649 1.00 0.00 H new ATOM 183 N PHE A 348 29.710 0.074 8.355 1.00 0.00 N ATOM 184 CA PHE A 348 29.997 -0.453 9.681 1.00 0.00 C ATOM 185 C PHE A 348 29.858 0.643 10.731 1.00 0.00 C ATOM 186 O PHE A 348 29.984 0.389 11.929 1.00 0.00 O ATOM 187 CB PHE A 348 31.420 -1.017 9.718 1.00 0.00 C ATOM 188 CG PHE A 348 32.255 -0.368 8.635 1.00 0.00 C ATOM 189 CD1 PHE A 348 32.249 1.024 8.485 1.00 0.00 C ATOM 190 CD2 PHE A 348 33.034 -1.161 7.784 1.00 0.00 C ATOM 191 CE1 PHE A 348 33.022 1.623 7.484 1.00 0.00 C ATOM 192 CE2 PHE A 348 33.808 -0.562 6.784 1.00 0.00 C ATOM 193 CZ PHE A 348 33.802 0.830 6.633 1.00 0.00 C ATOM 0 H PHE A 348 29.964 1.053 8.222 1.00 0.00 H new ATOM 0 HA PHE A 348 29.283 -1.247 9.901 1.00 0.00 H new ATOM 0 HB2 PHE A 348 31.868 -0.835 10.695 1.00 0.00 H new ATOM 0 HB3 PHE A 348 31.397 -2.097 9.575 1.00 0.00 H new ATOM 0 HD1 PHE A 348 31.648 1.635 9.142 1.00 0.00 H new ATOM 0 HD2 PHE A 348 33.038 -2.235 7.899 1.00 0.00 H new ATOM 0 HE1 PHE A 348 33.017 2.697 7.368 1.00 0.00 H new ATOM 0 HE2 PHE A 348 34.410 -1.174 6.128 1.00 0.00 H new ATOM 0 HZ PHE A 348 34.399 1.292 5.860 1.00 0.00 H new ATOM 203 N HIS A 349 29.606 1.864 10.272 1.00 0.00 N ATOM 204 CA HIS A 349 29.463 2.991 11.180 1.00 0.00 C ATOM 205 C HIS A 349 28.265 2.783 12.101 1.00 0.00 C ATOM 206 O HIS A 349 28.407 2.753 13.324 1.00 0.00 O ATOM 207 CB HIS A 349 29.295 4.288 10.384 1.00 0.00 C ATOM 208 CG HIS A 349 28.072 4.207 9.513 1.00 0.00 C ATOM 209 ND1 HIS A 349 26.975 5.032 9.704 1.00 0.00 N ATOM 210 CD2 HIS A 349 27.765 3.421 8.430 1.00 0.00 C ATOM 211 CE1 HIS A 349 26.068 4.727 8.759 1.00 0.00 C ATOM 212 NE2 HIS A 349 26.499 3.751 7.955 1.00 0.00 N ATOM 0 H HIS A 349 29.498 2.096 9.285 1.00 0.00 H new ATOM 0 HA HIS A 349 30.363 3.063 11.791 1.00 0.00 H new ATOM 0 HB2 HIS A 349 29.209 5.134 11.066 1.00 0.00 H new ATOM 0 HB3 HIS A 349 30.178 4.463 9.769 1.00 0.00 H new ATOM 0 HD2 HIS A 349 28.408 2.662 8.010 1.00 0.00 H new ATOM 0 HE1 HIS A 349 25.108 5.212 8.662 1.00 0.00 H new ATOM 0 HE2 HIS A 349 26.006 3.337 7.164 1.00 0.00 H new ATOM 220 N LEU A 350 27.089 2.639 11.503 1.00 0.00 N ATOM 221 CA LEU A 350 25.871 2.432 12.274 1.00 0.00 C ATOM 222 C LEU A 350 26.107 1.448 13.418 1.00 0.00 C ATOM 223 O LEU A 350 25.330 1.393 14.363 1.00 0.00 O ATOM 224 CB LEU A 350 24.732 1.904 11.381 1.00 0.00 C ATOM 225 CG LEU A 350 25.276 1.314 10.074 1.00 0.00 C ATOM 226 CD1 LEU A 350 26.277 0.196 10.376 1.00 0.00 C ATOM 227 CD2 LEU A 350 24.113 0.735 9.266 1.00 0.00 C ATOM 0 H LEU A 350 26.954 2.662 10.492 1.00 0.00 H new ATOM 0 HA LEU A 350 25.583 3.399 12.686 1.00 0.00 H new ATOM 0 HB2 LEU A 350 24.168 1.142 11.919 1.00 0.00 H new ATOM 0 HB3 LEU A 350 24.038 2.714 11.156 1.00 0.00 H new ATOM 0 HG LEU A 350 25.776 2.100 9.508 1.00 0.00 H new ATOM 0 HD11 LEU A 350 26.656 -0.215 9.441 1.00 0.00 H new ATOM 0 HD12 LEU A 350 27.106 0.598 10.959 1.00 0.00 H new ATOM 0 HD13 LEU A 350 25.782 -0.592 10.944 1.00 0.00 H new ATOM 0 HD21 LEU A 350 24.491 0.313 8.335 1.00 0.00 H new ATOM 0 HD22 LEU A 350 23.621 -0.047 9.845 1.00 0.00 H new ATOM 0 HD23 LEU A 350 23.397 1.525 9.042 1.00 0.00 H new ATOM 239 N SER A 351 27.172 0.663 13.327 1.00 0.00 N ATOM 240 CA SER A 351 27.467 -0.320 14.366 1.00 0.00 C ATOM 241 C SER A 351 27.982 0.349 15.640 1.00 0.00 C ATOM 242 O SER A 351 29.082 0.045 16.102 1.00 0.00 O ATOM 243 CB SER A 351 28.509 -1.315 13.856 1.00 0.00 C ATOM 244 OG SER A 351 29.807 -0.751 13.995 1.00 0.00 O ATOM 0 H SER A 351 27.839 0.685 12.556 1.00 0.00 H new ATOM 0 HA SER A 351 26.540 -0.842 14.606 1.00 0.00 H new ATOM 0 HB2 SER A 351 28.443 -2.247 14.417 1.00 0.00 H new ATOM 0 HB3 SER A 351 28.316 -1.558 12.811 1.00 0.00 H new ATOM 0 HG SER A 351 30.119 -0.429 13.124 1.00 0.00 H new ATOM 250 N GLY A 352 27.191 1.260 16.206 1.00 0.00 N ATOM 251 CA GLY A 352 27.601 1.950 17.420 1.00 0.00 C ATOM 252 C GLY A 352 27.200 3.405 17.322 1.00 0.00 C ATOM 253 O GLY A 352 26.961 4.075 18.326 1.00 0.00 O ATOM 0 H GLY A 352 26.276 1.532 15.847 1.00 0.00 H new ATOM 0 HA2 GLY A 352 27.134 1.489 18.290 1.00 0.00 H new ATOM 0 HA3 GLY A 352 28.679 1.865 17.555 1.00 0.00 H new ATOM 257 N ILE A 353 27.112 3.873 16.088 1.00 0.00 N ATOM 258 CA ILE A 353 26.719 5.240 15.828 1.00 0.00 C ATOM 259 C ILE A 353 25.204 5.305 15.664 1.00 0.00 C ATOM 260 O ILE A 353 24.586 6.345 15.884 1.00 0.00 O ATOM 261 CB ILE A 353 27.413 5.743 14.563 1.00 0.00 C ATOM 262 CG1 ILE A 353 28.859 6.117 14.901 1.00 0.00 C ATOM 263 CG2 ILE A 353 26.685 6.974 14.021 1.00 0.00 C ATOM 264 CD1 ILE A 353 29.742 5.932 13.667 1.00 0.00 C ATOM 0 H ILE A 353 27.309 3.322 15.252 1.00 0.00 H new ATOM 0 HA ILE A 353 27.015 5.874 16.664 1.00 0.00 H new ATOM 0 HB ILE A 353 27.398 4.958 13.806 1.00 0.00 H new ATOM 0 HG12 ILE A 353 28.907 7.151 15.242 1.00 0.00 H new ATOM 0 HG13 ILE A 353 29.224 5.494 15.718 1.00 0.00 H new ATOM 0 HG21 ILE A 353 27.187 7.326 13.119 1.00 0.00 H new ATOM 0 HG22 ILE A 353 25.654 6.712 13.784 1.00 0.00 H new ATOM 0 HG23 ILE A 353 26.695 7.763 14.773 1.00 0.00 H new ATOM 0 HD11 ILE A 353 30.770 6.199 13.912 1.00 0.00 H new ATOM 0 HD12 ILE A 353 29.704 4.891 13.345 1.00 0.00 H new ATOM 0 HD13 ILE A 353 29.382 6.574 12.863 1.00 0.00 H new ATOM 276 N MET A 354 24.614 4.172 15.283 1.00 0.00 N ATOM 277 CA MET A 354 23.172 4.093 15.088 1.00 0.00 C ATOM 278 C MET A 354 22.432 4.147 16.424 1.00 0.00 C ATOM 279 O MET A 354 21.352 4.725 16.527 1.00 0.00 O ATOM 280 CB MET A 354 22.805 2.797 14.362 1.00 0.00 C ATOM 281 CG MET A 354 22.922 1.608 15.320 1.00 0.00 C ATOM 282 SD MET A 354 21.373 1.404 16.236 1.00 0.00 S ATOM 283 CE MET A 354 20.587 0.240 15.095 1.00 0.00 C ATOM 0 H MET A 354 25.113 3.301 15.105 1.00 0.00 H new ATOM 0 HA MET A 354 22.872 4.950 14.485 1.00 0.00 H new ATOM 0 HB2 MET A 354 21.788 2.863 13.974 1.00 0.00 H new ATOM 0 HB3 MET A 354 23.464 2.651 13.506 1.00 0.00 H new ATOM 0 HG2 MET A 354 23.147 0.700 14.761 1.00 0.00 H new ATOM 0 HG3 MET A 354 23.747 1.768 16.014 1.00 0.00 H new ATOM 0 HE1 MET A 354 19.599 -0.027 15.471 1.00 0.00 H new ATOM 0 HE2 MET A 354 20.488 0.703 14.113 1.00 0.00 H new ATOM 0 HE3 MET A 354 21.199 -0.658 15.012 1.00 0.00 H new