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+ -128:sc= -0.0813! (180deg=-3.39!) USER MOD Single : A 338 SER OG : rot 57:sc= 0.951 USER MOD Single : A 339 TYR OH : rot -50:sc= 0.00585 USER MOD Single : A 340 MET CE :methyl -137:sc=-0.00363 (180deg=-1.69) USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot -30:sc= 0.479 USER MOD Single : A 349 HIS : no HD1:sc= -3.77! C(o=-3.8!,f=-4.4!) USER MOD Single : A 351 SER OG : rot 180:sc= 0 USER MOD Single : A 354 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 7 N LYS A 337 36.470 9.560 -5.976 1.00 0.00 N ATOM 8 CA LYS A 337 36.115 9.113 -4.631 1.00 0.00 C ATOM 9 C LYS A 337 34.597 9.098 -4.429 1.00 0.00 C ATOM 10 O LYS A 337 34.114 8.951 -3.306 1.00 0.00 O ATOM 11 CB LYS A 337 36.800 10.014 -3.580 1.00 0.00 C ATOM 12 CG LYS A 337 35.965 11.274 -3.246 1.00 0.00 C ATOM 13 CD LYS A 337 35.690 12.104 -4.511 1.00 0.00 C ATOM 14 CE LYS A 337 36.995 12.706 -5.048 1.00 0.00 C ATOM 15 NZ LYS A 337 37.596 11.780 -6.044 1.00 0.00 N ATOM 0 HA LYS A 337 36.469 8.090 -4.505 1.00 0.00 H new ATOM 0 HB2 LYS A 337 36.967 9.441 -2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 337 37.779 10.318 -3.950 1.00 0.00 H new ATOM 0 HG2 LYS A 337 35.021 10.978 -2.788 1.00 0.00 H new ATOM 0 HG3 LYS A 337 36.496 11.884 -2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 337 35.231 11.475 -5.274 1.00 0.00 H new ATOM 0 HD3 LYS A 337 34.981 12.900 -4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 337 36.799 13.674 -5.508 1.00 0.00 H new ATOM 0 HE3 LYS A 337 37.693 12.878 -4.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 38.589 11.597 -5.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 37.069 10.884 -6.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 37.552 12.211 -6.990 1.00 0.00 H new ATOM 29 N SER A 338 33.846 9.256 -5.513 1.00 0.00 N ATOM 30 CA SER A 338 32.390 9.270 -5.416 1.00 0.00 C ATOM 31 C SER A 338 31.778 7.919 -5.784 1.00 0.00 C ATOM 32 O SER A 338 31.012 7.819 -6.743 1.00 0.00 O ATOM 33 CB SER A 338 31.825 10.351 -6.336 1.00 0.00 C ATOM 34 OG SER A 338 32.028 9.970 -7.690 1.00 0.00 O ATOM 0 H SER A 338 34.214 9.375 -6.457 1.00 0.00 H new ATOM 0 HA SER A 338 32.131 9.482 -4.379 1.00 0.00 H new ATOM 0 HB2 SER A 338 30.762 10.491 -6.141 1.00 0.00 H new ATOM 0 HB3 SER A 338 32.314 11.305 -6.138 1.00 0.00 H new ATOM 0 HG SER A 338 31.614 9.096 -7.850 1.00 0.00 H new ATOM 40 N TYR A 339 32.095 6.885 -5.005 1.00 0.00 N ATOM 41 CA TYR A 339 31.538 5.557 -5.261 1.00 0.00 C ATOM 42 C TYR A 339 32.124 4.510 -4.299 1.00 0.00 C ATOM 43 O TYR A 339 31.831 4.531 -3.103 1.00 0.00 O ATOM 44 CB TYR A 339 31.766 5.159 -6.729 1.00 0.00 C ATOM 45 CG TYR A 339 33.027 5.805 -7.256 1.00 0.00 C ATOM 46 CD1 TYR A 339 34.159 5.933 -6.443 1.00 0.00 C ATOM 47 CD2 TYR A 339 33.051 6.286 -8.571 1.00 0.00 C ATOM 48 CE1 TYR A 339 35.316 6.542 -6.944 1.00 0.00 C ATOM 49 CE2 TYR A 339 34.208 6.894 -9.072 1.00 0.00 C ATOM 50 CZ TYR A 339 35.340 7.023 -8.259 1.00 0.00 C ATOM 51 OH TYR A 339 36.479 7.620 -8.755 1.00 0.00 O ATOM 0 H TYR A 339 32.724 6.938 -4.204 1.00 0.00 H new ATOM 0 HA TYR A 339 30.464 5.594 -5.079 1.00 0.00 H new ATOM 0 HB2 TYR A 339 31.842 4.075 -6.812 1.00 0.00 H new ATOM 0 HB3 TYR A 339 30.912 5.465 -7.333 1.00 0.00 H new ATOM 0 HD1 TYR A 339 34.140 5.562 -5.429 1.00 0.00 H new ATOM 0 HD2 TYR A 339 32.177 6.188 -9.198 1.00 0.00 H new ATOM 0 HE1 TYR A 339 36.190 6.641 -6.317 1.00 0.00 H new ATOM 0 HE2 TYR A 339 34.227 7.264 -10.087 1.00 0.00 H new ATOM 0 HH TYR A 339 36.793 8.301 -8.124 1.00 0.00 H new ATOM 61 N MET A 340 32.939 3.597 -4.823 1.00 0.00 N ATOM 62 CA MET A 340 33.543 2.547 -4.008 1.00 0.00 C ATOM 63 C MET A 340 34.396 3.131 -2.891 1.00 0.00 C ATOM 64 O MET A 340 34.889 2.403 -2.028 1.00 0.00 O ATOM 65 CB MET A 340 34.412 1.644 -4.891 1.00 0.00 C ATOM 66 CG MET A 340 35.430 2.489 -5.667 1.00 0.00 C ATOM 67 SD MET A 340 36.802 2.946 -4.575 1.00 0.00 S ATOM 68 CE MET A 340 37.640 4.092 -5.700 1.00 0.00 C ATOM 0 H MET A 340 33.196 3.564 -5.809 1.00 0.00 H new ATOM 0 HA MET A 340 32.738 1.967 -3.556 1.00 0.00 H new ATOM 0 HB2 MET A 340 34.931 0.910 -4.275 1.00 0.00 H new ATOM 0 HB3 MET A 340 33.783 1.088 -5.587 1.00 0.00 H new ATOM 0 HG2 MET A 340 35.805 1.928 -6.523 1.00 0.00 H new ATOM 0 HG3 MET A 340 34.950 3.386 -6.059 1.00 0.00 H new ATOM 0 HE1 MET A 340 38.715 3.919 -5.661 1.00 0.00 H new ATOM 0 HE2 MET A 340 37.283 3.930 -6.717 1.00 0.00 H new ATOM 0 HE3 MET A 340 37.427 5.118 -5.400 1.00 0.00 H new ATOM 78 N ALA A 341 34.580 4.440 -2.919 1.00 0.00 N ATOM 79 CA ALA A 341 35.391 5.107 -1.910 1.00 0.00 C ATOM 80 C ALA A 341 34.538 5.589 -0.743 1.00 0.00 C ATOM 81 O ALA A 341 35.010 5.668 0.390 1.00 0.00 O ATOM 82 CB ALA A 341 36.097 6.302 -2.538 1.00 0.00 C ATOM 0 H ALA A 341 34.182 5.060 -3.624 1.00 0.00 H new ATOM 0 HA ALA A 341 36.120 4.390 -1.532 1.00 0.00 H new ATOM 0 HB1 ALA A 341 36.705 6.803 -1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 341 36.737 5.960 -3.352 1.00 0.00 H new ATOM 0 HB3 ALA A 341 35.355 6.999 -2.928 1.00 0.00 H new ATOM 88 N TYR A 342 33.288 5.929 -1.029 1.00 0.00 N ATOM 89 CA TYR A 342 32.394 6.426 0.007 1.00 0.00 C ATOM 90 C TYR A 342 31.532 5.305 0.586 1.00 0.00 C ATOM 91 O TYR A 342 31.408 5.181 1.805 1.00 0.00 O ATOM 92 CB TYR A 342 31.505 7.530 -0.566 1.00 0.00 C ATOM 93 CG TYR A 342 30.181 6.944 -0.973 1.00 0.00 C ATOM 94 CD1 TYR A 342 29.155 6.793 -0.031 1.00 0.00 C ATOM 95 CD2 TYR A 342 29.979 6.538 -2.297 1.00 0.00 C ATOM 96 CE1 TYR A 342 27.929 6.236 -0.415 1.00 0.00 C ATOM 97 CE2 TYR A 342 28.753 5.982 -2.681 1.00 0.00 C ATOM 98 CZ TYR A 342 27.728 5.832 -1.739 1.00 0.00 C ATOM 99 OH TYR A 342 26.519 5.283 -2.117 1.00 0.00 O ATOM 0 H TYR A 342 32.874 5.871 -1.959 1.00 0.00 H new ATOM 0 HA TYR A 342 33.002 6.830 0.816 1.00 0.00 H new ATOM 0 HB2 TYR A 342 31.355 8.314 0.177 1.00 0.00 H new ATOM 0 HB3 TYR A 342 31.990 7.993 -1.425 1.00 0.00 H new ATOM 0 HD1 TYR A 342 29.310 7.106 0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 342 30.770 6.654 -3.023 1.00 0.00 H new ATOM 0 HE1 TYR A 342 27.138 6.118 0.311 1.00 0.00 H new ATOM 0 HE2 TYR A 342 28.598 5.669 -3.703 1.00 0.00 H new ATOM 0 HH TYR A 342 26.546 5.058 -3.070 1.00 0.00 H new ATOM 109 N LEU A 343 30.929 4.493 -0.282 1.00 0.00 N ATOM 110 CA LEU A 343 30.081 3.404 0.191 1.00 0.00 C ATOM 111 C LEU A 343 30.907 2.394 0.980 1.00 0.00 C ATOM 112 O LEU A 343 30.361 1.577 1.722 1.00 0.00 O ATOM 113 CB LEU A 343 29.372 2.715 -0.985 1.00 0.00 C ATOM 114 CG LEU A 343 30.345 1.809 -1.748 1.00 0.00 C ATOM 115 CD1 LEU A 343 30.201 0.355 -1.281 1.00 0.00 C ATOM 116 CD2 LEU A 343 30.022 1.881 -3.242 1.00 0.00 C ATOM 0 H LEU A 343 31.010 4.567 -1.296 1.00 0.00 H new ATOM 0 HA LEU A 343 29.320 3.823 0.849 1.00 0.00 H new ATOM 0 HB2 LEU A 343 28.533 2.126 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 343 28.962 3.466 -1.660 1.00 0.00 H new ATOM 0 HG LEU A 343 31.365 2.145 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 343 30.899 -0.275 -1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 343 30.420 0.292 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 343 29.182 0.014 -1.463 1.00 0.00 H new ATOM 0 HD21 LEU A 343 30.709 1.240 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 343 28.998 1.546 -3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 343 30.128 2.909 -3.588 1.00 0.00 H new ATOM 128 N SER A 344 32.224 2.466 0.825 1.00 0.00 N ATOM 129 CA SER A 344 33.117 1.561 1.539 1.00 0.00 C ATOM 130 C SER A 344 33.505 2.166 2.884 1.00 0.00 C ATOM 131 O SER A 344 34.263 1.570 3.650 1.00 0.00 O ATOM 132 CB SER A 344 34.374 1.302 0.710 1.00 0.00 C ATOM 133 OG SER A 344 35.138 0.271 1.323 1.00 0.00 O ATOM 0 H SER A 344 32.694 3.136 0.216 1.00 0.00 H new ATOM 0 HA SER A 344 32.599 0.617 1.706 1.00 0.00 H new ATOM 0 HB2 SER A 344 34.101 1.013 -0.305 1.00 0.00 H new ATOM 0 HB3 SER A 344 34.967 2.213 0.634 1.00 0.00 H new ATOM 0 HG SER A 344 34.995 0.290 2.292 1.00 0.00 H new ATOM 139 N ALA A 345 32.977 3.357 3.157 1.00 0.00 N ATOM 140 CA ALA A 345 33.264 4.052 4.407 1.00 0.00 C ATOM 141 C ALA A 345 31.992 4.218 5.233 1.00 0.00 C ATOM 142 O ALA A 345 31.987 4.910 6.251 1.00 0.00 O ATOM 143 CB ALA A 345 33.859 5.429 4.108 1.00 0.00 C ATOM 0 H ALA A 345 32.349 3.859 2.530 1.00 0.00 H new ATOM 0 HA ALA A 345 33.979 3.458 4.977 1.00 0.00 H new ATOM 0 HB1 ALA A 345 34.072 5.945 5.044 1.00 0.00 H new ATOM 0 HB2 ALA A 345 34.782 5.311 3.541 1.00 0.00 H new ATOM 0 HB3 ALA A 345 33.147 6.014 3.525 1.00 0.00 H new ATOM 149 N GLU A 346 30.914 3.582 4.786 1.00 0.00 N ATOM 150 CA GLU A 346 29.639 3.668 5.491 1.00 0.00 C ATOM 151 C GLU A 346 28.929 2.318 5.486 1.00 0.00 C ATOM 152 O GLU A 346 27.831 2.185 4.946 1.00 0.00 O ATOM 153 CB GLU A 346 28.748 4.716 4.823 1.00 0.00 C ATOM 154 CG GLU A 346 28.654 4.422 3.326 1.00 0.00 C ATOM 155 CD GLU A 346 27.204 4.520 2.866 1.00 0.00 C ATOM 156 OE1 GLU A 346 26.689 5.625 2.828 1.00 0.00 O ATOM 157 OE2 GLU A 346 26.628 3.488 2.562 1.00 0.00 O ATOM 0 H GLU A 346 30.897 3.005 3.945 1.00 0.00 H new ATOM 0 HA GLU A 346 29.834 3.957 6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 346 27.754 4.703 5.271 1.00 0.00 H new ATOM 0 HB3 GLU A 346 29.157 5.713 4.984 1.00 0.00 H new ATOM 0 HG2 GLU A 346 29.270 5.128 2.769 1.00 0.00 H new ATOM 0 HG3 GLU A 346 29.044 3.426 3.117 1.00 0.00 H new ATOM 164 N LEU A 347 29.563 1.322 6.091 1.00 0.00 N ATOM 165 CA LEU A 347 28.986 -0.016 6.153 1.00 0.00 C ATOM 166 C LEU A 347 29.200 -0.624 7.535 1.00 0.00 C ATOM 167 O LEU A 347 28.869 -1.786 7.771 1.00 0.00 O ATOM 168 CB LEU A 347 29.632 -0.911 5.094 1.00 0.00 C ATOM 169 CG LEU A 347 31.149 -0.896 5.271 1.00 0.00 C ATOM 170 CD1 LEU A 347 31.640 -2.306 5.601 1.00 0.00 C ATOM 171 CD2 LEU A 347 31.806 -0.418 3.974 1.00 0.00 C ATOM 0 H LEU A 347 30.472 1.413 6.544 1.00 0.00 H new ATOM 0 HA LEU A 347 27.916 0.058 5.961 1.00 0.00 H new ATOM 0 HB2 LEU A 347 29.255 -1.930 5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 347 29.368 -0.561 4.096 1.00 0.00 H new ATOM 0 HG LEU A 347 31.413 -0.221 6.085 1.00 0.00 H new ATOM 0 HD11 LEU A 347 32.723 -2.294 5.727 1.00 0.00 H new ATOM 0 HD12 LEU A 347 31.171 -2.648 6.524 1.00 0.00 H new ATOM 0 HD13 LEU A 347 31.377 -2.983 4.788 1.00 0.00 H new ATOM 0 HD21 LEU A 347 32.889 -0.406 4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 347 31.541 -1.094 3.161 1.00 0.00 H new ATOM 0 HD23 LEU A 347 31.457 0.587 3.738 1.00 0.00 H new ATOM 183 N PHE A 348 29.762 0.167 8.441 1.00 0.00 N ATOM 184 CA PHE A 348 30.025 -0.300 9.796 1.00 0.00 C ATOM 185 C PHE A 348 29.816 0.828 10.801 1.00 0.00 C ATOM 186 O PHE A 348 29.918 0.624 12.011 1.00 0.00 O ATOM 187 CB PHE A 348 31.464 -0.810 9.895 1.00 0.00 C ATOM 188 CG PHE A 348 32.299 -0.183 8.800 1.00 0.00 C ATOM 189 CD1 PHE A 348 32.234 1.197 8.574 1.00 0.00 C ATOM 190 CD2 PHE A 348 33.139 -0.982 8.016 1.00 0.00 C ATOM 191 CE1 PHE A 348 33.008 1.777 7.562 1.00 0.00 C ATOM 192 CE2 PHE A 348 33.913 -0.402 7.004 1.00 0.00 C ATOM 193 CZ PHE A 348 33.848 0.978 6.778 1.00 0.00 C ATOM 0 H PHE A 348 30.043 1.131 8.263 1.00 0.00 H new ATOM 0 HA PHE A 348 29.331 -1.109 10.026 1.00 0.00 H new ATOM 0 HB2 PHE A 348 31.882 -0.564 10.871 1.00 0.00 H new ATOM 0 HB3 PHE A 348 31.483 -1.896 9.805 1.00 0.00 H new ATOM 0 HD1 PHE A 348 31.587 1.814 9.180 1.00 0.00 H new ATOM 0 HD2 PHE A 348 33.190 -2.046 8.192 1.00 0.00 H new ATOM 0 HE1 PHE A 348 32.957 2.841 7.386 1.00 0.00 H new ATOM 0 HE2 PHE A 348 34.560 -1.019 6.398 1.00 0.00 H new ATOM 0 HZ PHE A 348 34.446 1.426 5.998 1.00 0.00 H new ATOM 203 N HIS A 349 29.534 2.022 10.289 1.00 0.00 N ATOM 204 CA HIS A 349 29.323 3.176 11.148 1.00 0.00 C ATOM 205 C HIS A 349 28.171 2.910 12.115 1.00 0.00 C ATOM 206 O HIS A 349 28.299 3.129 13.319 1.00 0.00 O ATOM 207 CB HIS A 349 29.031 4.411 10.293 1.00 0.00 C ATOM 208 CG HIS A 349 27.704 4.254 9.607 1.00 0.00 C ATOM 209 ND1 HIS A 349 26.536 4.799 10.118 1.00 0.00 N ATOM 210 CD2 HIS A 349 27.343 3.617 8.446 1.00 0.00 C ATOM 211 CE1 HIS A 349 25.538 4.484 9.274 1.00 0.00 C ATOM 212 NE2 HIS A 349 25.975 3.765 8.237 1.00 0.00 N ATOM 0 H HIS A 349 29.447 2.213 9.291 1.00 0.00 H new ATOM 0 HA HIS A 349 30.226 3.357 11.731 1.00 0.00 H new ATOM 0 HB2 HIS A 349 29.024 5.304 10.918 1.00 0.00 H new ATOM 0 HB3 HIS A 349 29.819 4.547 9.553 1.00 0.00 H new ATOM 0 HD2 HIS A 349 28.018 3.082 7.794 1.00 0.00 H new ATOM 0 HE1 HIS A 349 24.508 4.777 9.417 1.00 0.00 H new ATOM 0 HE2 HIS A 349 25.424 3.402 7.459 1.00 0.00 H new ATOM 220 N LEU A 350 27.056 2.424 11.574 1.00 0.00 N ATOM 221 CA LEU A 350 25.885 2.109 12.377 1.00 0.00 C ATOM 222 C LEU A 350 26.284 1.541 13.737 1.00 0.00 C ATOM 223 O LEU A 350 25.810 2.001 14.768 1.00 0.00 O ATOM 224 CB LEU A 350 24.998 1.089 11.642 1.00 0.00 C ATOM 225 CG LEU A 350 25.858 0.109 10.830 1.00 0.00 C ATOM 226 CD1 LEU A 350 25.264 -1.297 10.941 1.00 0.00 C ATOM 227 CD2 LEU A 350 25.873 0.532 9.360 1.00 0.00 C ATOM 0 H LEU A 350 26.942 2.240 10.577 1.00 0.00 H new ATOM 0 HA LEU A 350 25.331 3.034 12.534 1.00 0.00 H new ATOM 0 HB2 LEU A 350 24.393 0.539 12.363 1.00 0.00 H new ATOM 0 HB3 LEU A 350 24.308 1.611 10.979 1.00 0.00 H new ATOM 0 HG LEU A 350 26.876 0.114 11.220 1.00 0.00 H new ATOM 0 HD11 LEU A 350 25.872 -1.995 10.366 1.00 0.00 H new ATOM 0 HD12 LEU A 350 25.250 -1.604 11.987 1.00 0.00 H new ATOM 0 HD13 LEU A 350 24.247 -1.294 10.550 1.00 0.00 H new ATOM 0 HD21 LEU A 350 26.484 -0.165 8.787 1.00 0.00 H new ATOM 0 HD22 LEU A 350 24.855 0.528 8.970 1.00 0.00 H new ATOM 0 HD23 LEU A 350 26.290 1.535 9.274 1.00 0.00 H new ATOM 239 N SER A 351 27.144 0.531 13.730 1.00 0.00 N ATOM 240 CA SER A 351 27.574 -0.103 14.972 1.00 0.00 C ATOM 241 C SER A 351 28.222 0.894 15.935 1.00 0.00 C ATOM 242 O SER A 351 29.440 0.889 16.113 1.00 0.00 O ATOM 243 CB SER A 351 28.565 -1.224 14.662 1.00 0.00 C ATOM 244 OG SER A 351 27.884 -2.284 14.003 1.00 0.00 O ATOM 0 H SER A 351 27.556 0.134 12.885 1.00 0.00 H new ATOM 0 HA SER A 351 26.685 -0.506 15.458 1.00 0.00 H new ATOM 0 HB2 SER A 351 29.372 -0.848 14.033 1.00 0.00 H new ATOM 0 HB3 SER A 351 29.021 -1.587 15.583 1.00 0.00 H new ATOM 0 HG SER A 351 28.517 -3.004 13.801 1.00 0.00 H new ATOM 250 N GLY A 352 27.406 1.741 16.561 1.00 0.00 N ATOM 251 CA GLY A 352 27.925 2.723 17.507 1.00 0.00 C ATOM 252 C GLY A 352 27.175 4.029 17.347 1.00 0.00 C ATOM 253 O GLY A 352 26.854 4.709 18.321 1.00 0.00 O ATOM 0 H GLY A 352 26.395 1.766 16.431 1.00 0.00 H new ATOM 0 HA2 GLY A 352 27.817 2.353 18.527 1.00 0.00 H new ATOM 0 HA3 GLY A 352 28.990 2.880 17.336 1.00 0.00 H new ATOM 257 N ILE A 353 26.889 4.354 16.100 1.00 0.00 N ATOM 258 CA ILE A 353 26.162 5.564 15.777 1.00 0.00 C ATOM 259 C ILE A 353 24.674 5.253 15.682 1.00 0.00 C ATOM 260 O ILE A 353 23.827 6.126 15.852 1.00 0.00 O ATOM 261 CB ILE A 353 26.664 6.100 14.441 1.00 0.00 C ATOM 262 CG1 ILE A 353 28.018 6.783 14.654 1.00 0.00 C ATOM 263 CG2 ILE A 353 25.664 7.109 13.876 1.00 0.00 C ATOM 264 CD1 ILE A 353 28.947 6.460 13.484 1.00 0.00 C ATOM 0 H ILE A 353 27.152 3.792 15.291 1.00 0.00 H new ATOM 0 HA ILE A 353 26.320 6.312 16.554 1.00 0.00 H new ATOM 0 HB ILE A 353 26.772 5.276 13.736 1.00 0.00 H new ATOM 0 HG12 ILE A 353 27.883 7.861 14.737 1.00 0.00 H new ATOM 0 HG13 ILE A 353 28.464 6.445 15.589 1.00 0.00 H new ATOM 0 HG21 ILE A 353 26.029 7.488 12.921 1.00 0.00 H new ATOM 0 HG22 ILE A 353 24.700 6.622 13.728 1.00 0.00 H new ATOM 0 HG23 ILE A 353 25.549 7.937 14.575 1.00 0.00 H new ATOM 0 HD11 ILE A 353 29.910 6.947 13.638 1.00 0.00 H new ATOM 0 HD12 ILE A 353 29.092 5.382 13.422 1.00 0.00 H new ATOM 0 HD13 ILE A 353 28.503 6.820 12.556 1.00 0.00 H new ATOM 276 N MET A 354 24.375 3.989 15.407 1.00 0.00 N ATOM 277 CA MET A 354 22.998 3.539 15.275 1.00 0.00 C ATOM 278 C MET A 354 22.291 3.532 16.627 1.00 0.00 C ATOM 279 O MET A 354 21.102 3.831 16.726 1.00 0.00 O ATOM 280 CB MET A 354 22.968 2.128 14.696 1.00 0.00 C ATOM 281 CG MET A 354 23.404 1.126 15.766 1.00 0.00 C ATOM 282 SD MET A 354 23.977 -0.395 14.970 1.00 0.00 S ATOM 283 CE MET A 354 22.367 -1.216 14.870 1.00 0.00 C ATOM 0 H MET A 354 25.072 3.257 15.271 1.00 0.00 H new ATOM 0 HA MET A 354 22.481 4.230 14.609 1.00 0.00 H new ATOM 0 HB2 MET A 354 21.964 1.889 14.347 1.00 0.00 H new ATOM 0 HB3 MET A 354 23.630 2.064 13.832 1.00 0.00 H new ATOM 0 HG2 MET A 354 24.201 1.552 16.376 1.00 0.00 H new ATOM 0 HG3 MET A 354 22.572 0.908 16.436 1.00 0.00 H new ATOM 0 HE1 MET A 354 22.485 -2.193 14.402 1.00 0.00 H new ATOM 0 HE2 MET A 354 21.960 -1.341 15.873 1.00 0.00 H new ATOM 0 HE3 MET A 354 21.685 -0.609 14.275 1.00 0.00 H new