USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 261 hydrogens (5 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= 0.136 USER MOD Single : A 339 TYR OH : rot 29:sc= -5.54! USER MOD Single : A 340 MET CE :methyl 174:sc= 0 (180deg=-0.089) USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot 180:sc= 0 USER MOD Single : A 349 HIS : no HD1:sc= -3.79! C(o=-3.8!,f=-3.4!) 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 Single : A 359 SER OG : rot 180:sc= 0 USER MOD Single : A 363 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 366 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 367 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.173) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 336 37.530 9.447 -6.663 1.00 0.00 C HETATM 2 O ACE A 336 38.479 8.901 -6.102 1.00 0.00 O HETATM 3 CH3 ACE A 336 37.661 9.964 -8.092 1.00 0.00 C HETATM 0 H1 ACE A 336 36.934 9.460 -8.729 1.00 0.00 H new HETATM 0 H2 ACE A 336 37.475 11.038 -8.109 1.00 0.00 H new HETATM 0 H3 ACE A 336 38.667 9.764 -8.461 1.00 0.00 H new ATOM 7 N LYS A 337 36.350 9.628 -6.079 1.00 0.00 N ATOM 8 CA LYS A 337 36.110 9.181 -4.711 1.00 0.00 C ATOM 9 C LYS A 337 34.622 9.246 -4.365 1.00 0.00 C ATOM 10 O LYS A 337 34.254 9.313 -3.192 1.00 0.00 O ATOM 11 CB LYS A 337 36.916 10.044 -3.729 1.00 0.00 C ATOM 12 CG LYS A 337 36.285 11.438 -3.581 1.00 0.00 C ATOM 13 CD LYS A 337 36.022 12.050 -4.959 1.00 0.00 C ATOM 14 CE LYS A 337 35.756 13.548 -4.807 1.00 0.00 C ATOM 15 NZ LYS A 337 35.563 14.158 -6.153 1.00 0.00 N ATOM 0 H LYS A 337 35.551 10.077 -6.527 1.00 0.00 H new ATOM 0 HA LYS A 337 36.433 8.143 -4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 337 36.957 9.554 -2.756 1.00 0.00 H new ATOM 0 HB3 LYS A 337 37.943 10.140 -4.081 1.00 0.00 H new ATOM 0 HG2 LYS A 337 35.351 11.365 -3.024 1.00 0.00 H new ATOM 0 HG3 LYS A 337 36.948 12.086 -3.008 1.00 0.00 H new ATOM 0 HD2 LYS A 337 36.880 11.886 -5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 337 35.167 11.563 -5.428 1.00 0.00 H new ATOM 0 HE2 LYS A 337 34.871 13.710 -4.192 1.00 0.00 H new ATOM 0 HE3 LYS A 337 36.591 14.026 -4.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 35.382 15.177 -6.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 36.420 14.015 -6.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 34.752 13.709 -6.625 1.00 0.00 H new ATOM 29 N SER A 338 33.772 9.226 -5.392 1.00 0.00 N ATOM 30 CA SER A 338 32.326 9.290 -5.184 1.00 0.00 C ATOM 31 C SER A 338 31.643 7.998 -5.630 1.00 0.00 C ATOM 32 O SER A 338 30.826 8.006 -6.550 1.00 0.00 O ATOM 33 CB SER A 338 31.744 10.465 -5.967 1.00 0.00 C ATOM 34 OG SER A 338 32.163 10.381 -7.323 1.00 0.00 O ATOM 0 H SER A 338 34.057 9.166 -6.369 1.00 0.00 H new ATOM 0 HA SER A 338 32.145 9.425 -4.118 1.00 0.00 H new ATOM 0 HB2 SER A 338 30.656 10.452 -5.909 1.00 0.00 H new ATOM 0 HB3 SER A 338 32.075 11.407 -5.530 1.00 0.00 H new ATOM 0 HG SER A 338 31.776 9.581 -7.736 1.00 0.00 H new ATOM 40 N TYR A 339 31.971 6.892 -4.966 1.00 0.00 N ATOM 41 CA TYR A 339 31.368 5.604 -5.298 1.00 0.00 C ATOM 42 C TYR A 339 31.963 4.485 -4.433 1.00 0.00 C ATOM 43 O TYR A 339 31.659 4.393 -3.246 1.00 0.00 O ATOM 44 CB TYR A 339 31.546 5.302 -6.797 1.00 0.00 C ATOM 45 CG TYR A 339 32.784 5.990 -7.328 1.00 0.00 C ATOM 46 CD1 TYR A 339 33.944 6.073 -6.548 1.00 0.00 C ATOM 47 CD2 TYR A 339 32.762 6.551 -8.611 1.00 0.00 C ATOM 48 CE1 TYR A 339 35.081 6.717 -7.051 1.00 0.00 C ATOM 49 CE2 TYR A 339 33.899 7.195 -9.114 1.00 0.00 C ATOM 50 CZ TYR A 339 35.059 7.278 -8.334 1.00 0.00 C ATOM 51 OH TYR A 339 36.179 7.911 -8.830 1.00 0.00 O ATOM 0 H TYR A 339 32.645 6.861 -4.201 1.00 0.00 H new ATOM 0 HA TYR A 339 30.300 5.655 -5.085 1.00 0.00 H new ATOM 0 HB2 TYR A 339 31.625 4.226 -6.951 1.00 0.00 H new ATOM 0 HB3 TYR A 339 30.669 5.639 -7.349 1.00 0.00 H new ATOM 0 HD1 TYR A 339 33.962 5.640 -5.559 1.00 0.00 H new ATOM 0 HD2 TYR A 339 31.868 6.487 -9.213 1.00 0.00 H new ATOM 0 HE1 TYR A 339 35.975 6.781 -6.449 1.00 0.00 H new ATOM 0 HE2 TYR A 339 33.881 7.628 -10.103 1.00 0.00 H new ATOM 0 HH TYR A 339 36.982 7.515 -8.432 1.00 0.00 H new ATOM 61 N MET A 340 32.810 3.645 -5.026 1.00 0.00 N ATOM 62 CA MET A 340 33.432 2.548 -4.291 1.00 0.00 C ATOM 63 C MET A 340 34.374 3.082 -3.217 1.00 0.00 C ATOM 64 O MET A 340 34.990 2.313 -2.478 1.00 0.00 O ATOM 65 CB MET A 340 34.211 1.652 -5.257 1.00 0.00 C ATOM 66 CG MET A 340 35.311 2.468 -5.937 1.00 0.00 C ATOM 67 SD MET A 340 36.769 2.527 -4.865 1.00 0.00 S ATOM 68 CE MET A 340 37.562 3.957 -5.642 1.00 0.00 C ATOM 0 H MET A 340 33.079 3.703 -6.008 1.00 0.00 H new ATOM 0 HA MET A 340 32.646 1.968 -3.808 1.00 0.00 H new ATOM 0 HB2 MET A 340 34.648 0.812 -4.718 1.00 0.00 H new ATOM 0 HB3 MET A 340 33.538 1.235 -6.006 1.00 0.00 H new ATOM 0 HG2 MET A 340 35.570 2.021 -6.897 1.00 0.00 H new ATOM 0 HG3 MET A 340 34.956 3.478 -6.142 1.00 0.00 H new ATOM 0 HE1 MET A 340 38.442 4.242 -5.066 1.00 0.00 H new ATOM 0 HE2 MET A 340 37.861 3.700 -6.658 1.00 0.00 H new ATOM 0 HE3 MET A 340 36.861 4.791 -5.670 1.00 0.00 H new ATOM 78 N ALA A 341 34.487 4.401 -3.146 1.00 0.00 N ATOM 79 CA ALA A 341 35.364 5.035 -2.168 1.00 0.00 C ATOM 80 C ALA A 341 34.591 5.474 -0.929 1.00 0.00 C ATOM 81 O ALA A 341 35.138 5.508 0.174 1.00 0.00 O ATOM 82 CB ALA A 341 36.025 6.258 -2.796 1.00 0.00 C ATOM 0 H ALA A 341 33.985 5.052 -3.750 1.00 0.00 H new ATOM 0 HA ALA A 341 36.116 4.305 -1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 341 36.681 6.732 -2.066 1.00 0.00 H new ATOM 0 HB2 ALA A 341 36.610 5.951 -3.663 1.00 0.00 H new ATOM 0 HB3 ALA A 341 35.258 6.966 -3.109 1.00 0.00 H new ATOM 88 N TYR A 342 33.328 5.836 -1.120 1.00 0.00 N ATOM 89 CA TYR A 342 32.505 6.301 -0.012 1.00 0.00 C ATOM 90 C TYR A 342 31.694 5.160 0.600 1.00 0.00 C ATOM 91 O TYR A 342 31.640 5.015 1.821 1.00 0.00 O ATOM 92 CB TYR A 342 31.567 7.403 -0.506 1.00 0.00 C ATOM 93 CG TYR A 342 30.233 6.800 -0.864 1.00 0.00 C ATOM 94 CD1 TYR A 342 29.253 6.626 0.121 1.00 0.00 C ATOM 95 CD2 TYR A 342 29.978 6.406 -2.182 1.00 0.00 C ATOM 96 CE1 TYR A 342 28.019 6.057 -0.213 1.00 0.00 C ATOM 97 CE2 TYR A 342 28.744 5.836 -2.516 1.00 0.00 C ATOM 98 CZ TYR A 342 27.764 5.662 -1.532 1.00 0.00 C ATOM 99 OH TYR A 342 26.547 5.100 -1.860 1.00 0.00 O ATOM 0 H TYR A 342 32.855 5.817 -2.024 1.00 0.00 H new ATOM 0 HA TYR A 342 33.163 6.693 0.764 1.00 0.00 H new ATOM 0 HB2 TYR A 342 31.440 8.162 0.266 1.00 0.00 H new ATOM 0 HB3 TYR A 342 31.998 7.901 -1.374 1.00 0.00 H new ATOM 0 HD1 TYR A 342 29.450 6.931 1.138 1.00 0.00 H new ATOM 0 HD2 TYR A 342 30.733 6.542 -2.942 1.00 0.00 H new ATOM 0 HE1 TYR A 342 27.263 5.922 0.547 1.00 0.00 H new ATOM 0 HE2 TYR A 342 28.548 5.530 -3.533 1.00 0.00 H new ATOM 0 HH TYR A 342 26.533 4.884 -2.816 1.00 0.00 H new ATOM 109 N LEU A 343 31.059 4.357 -0.248 1.00 0.00 N ATOM 110 CA LEU A 343 30.251 3.243 0.237 1.00 0.00 C ATOM 111 C LEU A 343 31.107 2.280 1.051 1.00 0.00 C ATOM 112 O LEU A 343 30.589 1.450 1.798 1.00 0.00 O ATOM 113 CB LEU A 343 29.609 2.510 -0.942 1.00 0.00 C ATOM 114 CG LEU A 343 30.703 1.862 -1.805 1.00 0.00 C ATOM 115 CD1 LEU A 343 31.159 0.514 -1.221 1.00 0.00 C ATOM 116 CD2 LEU A 343 30.161 1.643 -3.219 1.00 0.00 C ATOM 0 H LEU A 343 31.087 4.454 -1.263 1.00 0.00 H new ATOM 0 HA LEU A 343 29.464 3.636 0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 343 28.920 1.748 -0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 343 29.024 3.207 -1.542 1.00 0.00 H new ATOM 0 HG LEU A 343 31.564 2.530 -1.824 1.00 0.00 H new ATOM 0 HD11 LEU A 343 31.933 0.085 -1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 343 31.558 0.668 -0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 343 30.310 -0.168 -1.173 1.00 0.00 H new ATOM 0 HD21 LEU A 343 30.932 1.183 -3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 343 29.291 0.988 -3.178 1.00 0.00 H new ATOM 0 HD23 LEU A 343 29.873 2.602 -3.651 1.00 0.00 H new ATOM 128 N SER A 344 32.421 2.402 0.904 1.00 0.00 N ATOM 129 CA SER A 344 33.347 1.544 1.632 1.00 0.00 C ATOM 130 C SER A 344 33.728 2.187 2.961 1.00 0.00 C ATOM 131 O SER A 344 34.528 1.640 3.720 1.00 0.00 O ATOM 132 CB SER A 344 34.606 1.306 0.798 1.00 0.00 C ATOM 133 OG SER A 344 34.444 0.122 0.029 1.00 0.00 O ATOM 0 H SER A 344 32.867 3.083 0.290 1.00 0.00 H new ATOM 0 HA SER A 344 32.858 0.589 1.826 1.00 0.00 H new ATOM 0 HB2 SER A 344 34.788 2.157 0.142 1.00 0.00 H new ATOM 0 HB3 SER A 344 35.475 1.214 1.449 1.00 0.00 H new ATOM 0 HG SER A 344 35.249 -0.032 -0.508 1.00 0.00 H new ATOM 139 N ALA A 345 33.152 3.358 3.227 1.00 0.00 N ATOM 140 CA ALA A 345 33.434 4.084 4.462 1.00 0.00 C ATOM 141 C ALA A 345 32.154 4.316 5.259 1.00 0.00 C ATOM 142 O ALA A 345 32.135 5.109 6.200 1.00 0.00 O ATOM 143 CB ALA A 345 34.076 5.433 4.130 1.00 0.00 C ATOM 0 H ALA A 345 32.490 3.822 2.606 1.00 0.00 H new ATOM 0 HA ALA A 345 34.117 3.486 5.065 1.00 0.00 H new ATOM 0 HB1 ALA A 345 34.286 5.973 5.053 1.00 0.00 H new ATOM 0 HB2 ALA A 345 35.006 5.269 3.586 1.00 0.00 H new ATOM 0 HB3 ALA A 345 33.394 6.019 3.514 1.00 0.00 H new ATOM 149 N GLU A 346 31.087 3.622 4.878 1.00 0.00 N ATOM 150 CA GLU A 346 29.810 3.768 5.570 1.00 0.00 C ATOM 151 C GLU A 346 29.034 2.455 5.554 1.00 0.00 C ATOM 152 O GLU A 346 27.958 2.366 4.963 1.00 0.00 O ATOM 153 CB GLU A 346 28.977 4.860 4.898 1.00 0.00 C ATOM 154 CG GLU A 346 28.808 4.530 3.414 1.00 0.00 C ATOM 155 CD GLU A 346 27.327 4.476 3.056 1.00 0.00 C ATOM 156 OE1 GLU A 346 26.661 5.484 3.224 1.00 0.00 O ATOM 157 OE2 GLU A 346 26.880 3.427 2.622 1.00 0.00 O ATOM 0 H GLU A 346 31.079 2.959 4.102 1.00 0.00 H new ATOM 0 HA GLU A 346 30.010 4.044 6.605 1.00 0.00 H new ATOM 0 HB2 GLU A 346 28.001 4.936 5.378 1.00 0.00 H new ATOM 0 HB3 GLU A 346 29.465 5.828 5.013 1.00 0.00 H new ATOM 0 HG2 GLU A 346 29.310 5.283 2.806 1.00 0.00 H new ATOM 0 HG3 GLU A 346 29.280 3.573 3.190 1.00 0.00 H new ATOM 164 N LEU A 347 29.586 1.439 6.205 1.00 0.00 N ATOM 165 CA LEU A 347 28.935 0.135 6.256 1.00 0.00 C ATOM 166 C LEU A 347 29.084 -0.493 7.641 1.00 0.00 C ATOM 167 O LEU A 347 28.707 -1.645 7.858 1.00 0.00 O ATOM 168 CB LEU A 347 29.542 -0.792 5.200 1.00 0.00 C ATOM 169 CG LEU A 347 31.059 -0.859 5.388 1.00 0.00 C ATOM 170 CD1 LEU A 347 31.511 -2.320 5.373 1.00 0.00 C ATOM 171 CD2 LEU A 347 31.746 -0.101 4.251 1.00 0.00 C ATOM 0 H LEU A 347 30.476 1.491 6.701 1.00 0.00 H new ATOM 0 HA LEU A 347 27.873 0.273 6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 347 29.110 -1.789 5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 347 29.305 -0.426 4.201 1.00 0.00 H new ATOM 0 HG LEU A 347 31.328 -0.406 6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 347 32.592 -2.368 5.507 1.00 0.00 H new ATOM 0 HD12 LEU A 347 31.021 -2.861 6.182 1.00 0.00 H new ATOM 0 HD13 LEU A 347 31.243 -2.774 4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 347 32.827 -0.148 4.383 1.00 0.00 H new ATOM 0 HD22 LEU A 347 31.477 -0.555 3.297 1.00 0.00 H new ATOM 0 HD23 LEU A 347 31.424 0.940 4.261 1.00 0.00 H new ATOM 183 N PHE A 348 29.646 0.273 8.565 1.00 0.00 N ATOM 184 CA PHE A 348 29.862 -0.201 9.926 1.00 0.00 C ATOM 185 C PHE A 348 29.447 0.868 10.926 1.00 0.00 C ATOM 186 O PHE A 348 29.023 0.564 12.041 1.00 0.00 O ATOM 187 CB PHE A 348 31.343 -0.535 10.124 1.00 0.00 C ATOM 188 CG PHE A 348 32.155 0.743 10.085 1.00 0.00 C ATOM 189 CD1 PHE A 348 32.245 1.480 8.899 1.00 0.00 C ATOM 190 CD2 PHE A 348 32.814 1.189 11.238 1.00 0.00 C ATOM 191 CE1 PHE A 348 32.993 2.664 8.865 1.00 0.00 C ATOM 192 CE2 PHE A 348 33.562 2.372 11.204 1.00 0.00 C ATOM 193 CZ PHE A 348 33.651 3.109 10.017 1.00 0.00 C ATOM 0 H PHE A 348 29.962 1.228 8.397 1.00 0.00 H new ATOM 0 HA PHE A 348 29.259 -1.094 10.089 1.00 0.00 H new ATOM 0 HB2 PHE A 348 31.489 -1.043 11.077 1.00 0.00 H new ATOM 0 HB3 PHE A 348 31.681 -1.218 9.344 1.00 0.00 H new ATOM 0 HD1 PHE A 348 31.738 1.136 8.010 1.00 0.00 H new ATOM 0 HD2 PHE A 348 32.745 0.620 12.153 1.00 0.00 H new ATOM 0 HE1 PHE A 348 33.062 3.233 7.950 1.00 0.00 H new ATOM 0 HE2 PHE A 348 34.070 2.716 12.093 1.00 0.00 H new ATOM 0 HZ PHE A 348 34.228 4.022 9.990 1.00 0.00 H new ATOM 203 N HIS A 349 29.574 2.124 10.512 1.00 0.00 N ATOM 204 CA HIS A 349 29.215 3.244 11.369 1.00 0.00 C ATOM 205 C HIS A 349 27.925 2.944 12.131 1.00 0.00 C ATOM 206 O HIS A 349 27.783 3.314 13.296 1.00 0.00 O ATOM 207 CB HIS A 349 29.058 4.506 10.521 1.00 0.00 C ATOM 208 CG HIS A 349 27.813 4.413 9.682 1.00 0.00 C ATOM 209 ND1 HIS A 349 26.632 5.049 10.032 1.00 0.00 N ATOM 210 CD2 HIS A 349 27.556 3.771 8.496 1.00 0.00 C ATOM 211 CE1 HIS A 349 25.726 4.779 9.074 1.00 0.00 C ATOM 212 NE2 HIS A 349 26.238 4.004 8.114 1.00 0.00 N ATOM 0 H HIS A 349 29.922 2.390 9.591 1.00 0.00 H new ATOM 0 HA HIS A 349 30.008 3.403 12.100 1.00 0.00 H new ATOM 0 HB2 HIS A 349 29.006 5.383 11.166 1.00 0.00 H new ATOM 0 HB3 HIS A 349 29.930 4.633 9.879 1.00 0.00 H new ATOM 0 HD2 HIS A 349 28.268 3.176 7.944 1.00 0.00 H new ATOM 0 HE1 HIS A 349 24.710 5.144 9.081 1.00 0.00 H new ATOM 0 HE2 HIS A 349 25.765 3.657 7.280 1.00 0.00 H new ATOM 220 N LEU A 350 26.996 2.260 11.471 1.00 0.00 N ATOM 221 CA LEU A 350 25.732 1.901 12.097 1.00 0.00 C ATOM 222 C LEU A 350 25.962 1.407 13.520 1.00 0.00 C ATOM 223 O LEU A 350 25.279 1.824 14.447 1.00 0.00 O ATOM 224 CB LEU A 350 25.018 0.797 11.296 1.00 0.00 C ATOM 225 CG LEU A 350 25.991 0.102 10.332 1.00 0.00 C ATOM 226 CD1 LEU A 350 25.461 -1.296 10.007 1.00 0.00 C ATOM 227 CD2 LEU A 350 26.103 0.909 9.035 1.00 0.00 C ATOM 0 H LEU A 350 27.096 1.945 10.506 1.00 0.00 H new ATOM 0 HA LEU A 350 25.107 2.794 12.116 1.00 0.00 H new ATOM 0 HB2 LEU A 350 24.592 0.063 11.980 1.00 0.00 H new ATOM 0 HB3 LEU A 350 24.189 1.228 10.734 1.00 0.00 H new ATOM 0 HG LEU A 350 26.973 0.031 10.799 1.00 0.00 H new ATOM 0 HD11 LEU A 350 26.147 -1.795 9.323 1.00 0.00 H new ATOM 0 HD12 LEU A 350 25.378 -1.876 10.926 1.00 0.00 H new ATOM 0 HD13 LEU A 350 24.479 -1.214 9.540 1.00 0.00 H new ATOM 0 HD21 LEU A 350 26.794 0.411 8.355 1.00 0.00 H new ATOM 0 HD22 LEU A 350 25.122 0.981 8.566 1.00 0.00 H new ATOM 0 HD23 LEU A 350 26.472 1.910 9.260 1.00 0.00 H new ATOM 239 N SER A 351 26.915 0.500 13.683 1.00 0.00 N ATOM 240 CA SER A 351 27.202 -0.060 14.999 1.00 0.00 C ATOM 241 C SER A 351 27.589 1.019 16.010 1.00 0.00 C ATOM 242 O SER A 351 28.756 1.142 16.379 1.00 0.00 O ATOM 243 CB SER A 351 28.331 -1.085 14.893 1.00 0.00 C ATOM 244 OG SER A 351 28.385 -1.851 16.090 1.00 0.00 O ATOM 0 H SER A 351 27.499 0.138 12.929 1.00 0.00 H new ATOM 0 HA SER A 351 26.291 -0.541 15.354 1.00 0.00 H new ATOM 0 HB2 SER A 351 28.165 -1.739 14.037 1.00 0.00 H new ATOM 0 HB3 SER A 351 29.282 -0.579 14.728 1.00 0.00 H new ATOM 0 HG SER A 351 29.107 -2.510 16.024 1.00 0.00 H new ATOM 250 N GLY A 352 26.604 1.795 16.461 1.00 0.00 N ATOM 251 CA GLY A 352 26.862 2.849 17.433 1.00 0.00 C ATOM 252 C GLY A 352 26.035 4.067 17.086 1.00 0.00 C ATOM 253 O GLY A 352 25.497 4.749 17.957 1.00 0.00 O ATOM 0 H GLY A 352 25.630 1.713 16.170 1.00 0.00 H new ATOM 0 HA2 GLY A 352 26.615 2.502 18.436 1.00 0.00 H new ATOM 0 HA3 GLY A 352 27.922 3.104 17.436 1.00 0.00 H new ATOM 257 N ILE A 353 25.931 4.316 15.792 1.00 0.00 N ATOM 258 CA ILE A 353 25.161 5.433 15.289 1.00 0.00 C ATOM 259 C ILE A 353 23.762 4.961 14.906 1.00 0.00 C ATOM 260 O ILE A 353 22.836 5.758 14.767 1.00 0.00 O ATOM 261 CB ILE A 353 25.872 6.014 14.072 1.00 0.00 C ATOM 262 CG1 ILE A 353 27.075 6.839 14.539 1.00 0.00 C ATOM 263 CG2 ILE A 353 24.912 6.907 13.287 1.00 0.00 C ATOM 264 CD1 ILE A 353 28.260 6.587 13.609 1.00 0.00 C ATOM 0 H ILE A 353 26.376 3.752 15.068 1.00 0.00 H new ATOM 0 HA ILE A 353 25.072 6.200 16.058 1.00 0.00 H new ATOM 0 HB ILE A 353 26.210 5.203 13.427 1.00 0.00 H new ATOM 0 HG12 ILE A 353 26.822 7.899 14.544 1.00 0.00 H new ATOM 0 HG13 ILE A 353 27.339 6.570 15.562 1.00 0.00 H new ATOM 0 HG21 ILE A 353 25.426 7.319 12.419 1.00 0.00 H new ATOM 0 HG22 ILE A 353 24.056 6.319 12.956 1.00 0.00 H new ATOM 0 HG23 ILE A 353 24.568 7.721 13.925 1.00 0.00 H new ATOM 0 HD11 ILE A 353 29.115 7.175 13.942 1.00 0.00 H new ATOM 0 HD12 ILE A 353 28.518 5.528 13.627 1.00 0.00 H new ATOM 0 HD13 ILE A 353 27.994 6.878 12.593 1.00 0.00 H new ATOM 276 N MET A 354 23.628 3.649 14.738 1.00 0.00 N ATOM 277 CA MET A 354 22.355 3.049 14.365 1.00 0.00 C ATOM 278 C MET A 354 21.384 3.051 15.541 1.00 0.00 C ATOM 279 O MET A 354 20.175 3.206 15.368 1.00 0.00 O ATOM 280 CB MET A 354 22.564 1.611 13.890 1.00 0.00 C ATOM 281 CG MET A 354 22.959 0.725 15.073 1.00 0.00 C ATOM 282 SD MET A 354 21.471 0.004 15.807 1.00 0.00 S ATOM 283 CE MET A 354 22.289 -1.327 16.721 1.00 0.00 C ATOM 0 H MET A 354 24.389 2.980 14.855 1.00 0.00 H new ATOM 0 HA MET A 354 21.932 3.644 13.556 1.00 0.00 H new ATOM 0 HB2 MET A 354 21.650 1.234 13.431 1.00 0.00 H new ATOM 0 HB3 MET A 354 23.341 1.580 13.126 1.00 0.00 H new ATOM 0 HG2 MET A 354 23.633 -0.064 14.741 1.00 0.00 H new ATOM 0 HG3 MET A 354 23.497 1.312 15.817 1.00 0.00 H new ATOM 0 HE1 MET A 354 21.542 -1.911 17.259 1.00 0.00 H new ATOM 0 HE2 MET A 354 22.822 -1.973 16.024 1.00 0.00 H new ATOM 0 HE3 MET A 354 22.996 -0.899 17.432 1.00 0.00 H new ATOM 293 N ALA A 355 21.928 2.866 16.737 1.00 0.00 N ATOM 294 CA ALA A 355 21.122 2.837 17.949 1.00 0.00 C ATOM 295 C ALA A 355 20.525 4.207 18.214 1.00 0.00 C ATOM 296 O ALA A 355 19.559 4.339 18.966 1.00 0.00 O ATOM 297 CB ALA A 355 21.986 2.414 19.136 1.00 0.00 C ATOM 0 H ALA A 355 22.927 2.733 16.893 1.00 0.00 H new ATOM 0 HA ALA A 355 20.314 2.118 17.816 1.00 0.00 H new ATOM 0 HB1 ALA A 355 21.378 2.394 20.040 1.00 0.00 H new ATOM 0 HB2 ALA A 355 22.396 1.421 18.952 1.00 0.00 H new ATOM 0 HB3 ALA A 355 22.802 3.125 19.264 1.00 0.00 H new ATOM 303 N LEU A 356 21.107 5.220 17.582 1.00 0.00 N ATOM 304 CA LEU A 356 20.629 6.585 17.740 1.00 0.00 C ATOM 305 C LEU A 356 20.218 7.160 16.393 1.00 0.00 C ATOM 306 O LEU A 356 19.677 8.263 16.334 1.00 0.00 O ATOM 307 CB LEU A 356 21.702 7.468 18.389 1.00 0.00 C ATOM 308 CG LEU A 356 23.002 7.402 17.589 1.00 0.00 C ATOM 309 CD1 LEU A 356 23.136 8.653 16.717 1.00 0.00 C ATOM 310 CD2 LEU A 356 24.185 7.333 18.559 1.00 0.00 C ATOM 0 H LEU A 356 21.908 5.121 16.958 1.00 0.00 H new ATOM 0 HA LEU A 356 19.758 6.567 18.396 1.00 0.00 H new ATOM 0 HB2 LEU A 356 21.351 8.499 18.441 1.00 0.00 H new ATOM 0 HB3 LEU A 356 21.881 7.141 19.413 1.00 0.00 H new ATOM 0 HG LEU A 356 22.992 6.518 16.952 1.00 0.00 H new ATOM 0 HD11 LEU A 356 24.064 8.602 16.148 1.00 0.00 H new ATOM 0 HD12 LEU A 356 22.292 8.710 16.030 1.00 0.00 H new ATOM 0 HD13 LEU A 356 23.147 9.539 17.351 1.00 0.00 H new ATOM 0 HD21 LEU A 356 25.116 7.286 17.994 1.00 0.00 H new ATOM 0 HD22 LEU A 356 24.189 8.221 19.192 1.00 0.00 H new ATOM 0 HD23 LEU A 356 24.093 6.444 19.182 1.00 0.00 H new ATOM 322 N ILE A 357 20.467 6.405 15.314 1.00 0.00 N ATOM 323 CA ILE A 357 20.090 6.865 13.972 1.00 0.00 C ATOM 324 C ILE A 357 18.769 7.621 14.041 1.00 0.00 C ATOM 325 O ILE A 357 18.594 8.659 13.404 1.00 0.00 O ATOM 326 CB ILE A 357 19.959 5.658 13.015 1.00 0.00 C ATOM 327 CG1 ILE A 357 21.144 5.658 12.039 1.00 0.00 C ATOM 328 CG2 ILE A 357 18.646 5.719 12.208 1.00 0.00 C ATOM 329 CD1 ILE A 357 21.141 4.375 11.201 1.00 0.00 C ATOM 0 H ILE A 357 20.919 5.491 15.342 1.00 0.00 H new ATOM 0 HA ILE A 357 20.865 7.531 13.593 1.00 0.00 H new ATOM 0 HB ILE A 357 19.953 4.748 13.614 1.00 0.00 H new ATOM 0 HG12 ILE A 357 21.086 6.528 11.385 1.00 0.00 H new ATOM 0 HG13 ILE A 357 22.080 5.737 12.592 1.00 0.00 H new ATOM 0 HG21 ILE A 357 18.586 4.856 11.545 1.00 0.00 H new ATOM 0 HG22 ILE A 357 17.798 5.711 12.892 1.00 0.00 H new ATOM 0 HG23 ILE A 357 18.625 6.634 11.615 1.00 0.00 H new ATOM 0 HD11 ILE A 357 21.986 4.388 10.513 1.00 0.00 H new ATOM 0 HD12 ILE A 357 21.222 3.510 11.859 1.00 0.00 H new ATOM 0 HD13 ILE A 357 20.212 4.313 10.634 1.00 0.00 H new ATOM 341 N ALA A 358 17.841 7.077 14.820 1.00 0.00 N ATOM 342 CA ALA A 358 16.527 7.689 14.973 1.00 0.00 C ATOM 343 C ALA A 358 16.490 8.615 16.187 1.00 0.00 C ATOM 344 O ALA A 358 15.745 9.596 16.208 1.00 0.00 O ATOM 345 CB ALA A 358 15.463 6.602 15.127 1.00 0.00 C ATOM 0 H ALA A 358 17.973 6.217 15.353 1.00 0.00 H new ATOM 0 HA ALA A 358 16.322 8.281 14.081 1.00 0.00 H new ATOM 0 HB1 ALA A 358 14.483 7.066 15.241 1.00 0.00 H new ATOM 0 HB2 ALA A 358 15.463 5.965 14.242 1.00 0.00 H new ATOM 0 HB3 ALA A 358 15.684 5.999 16.008 1.00 0.00 H new ATOM 351 N SER A 359 17.290 8.294 17.199 1.00 0.00 N ATOM 352 CA SER A 359 17.330 9.103 18.414 1.00 0.00 C ATOM 353 C SER A 359 18.288 10.280 18.256 1.00 0.00 C ATOM 354 O SER A 359 18.492 11.055 19.191 1.00 0.00 O ATOM 355 CB SER A 359 17.770 8.241 19.597 1.00 0.00 C ATOM 356 OG SER A 359 17.013 8.601 20.746 1.00 0.00 O ATOM 0 H SER A 359 17.914 7.487 17.204 1.00 0.00 H new ATOM 0 HA SER A 359 16.329 9.494 18.596 1.00 0.00 H new ATOM 0 HB2 SER A 359 17.624 7.186 19.367 1.00 0.00 H new ATOM 0 HB3 SER A 359 18.834 8.382 19.789 1.00 0.00 H new ATOM 0 HG SER A 359 17.291 8.049 21.507 1.00 0.00 H new ATOM 362 N GLY A 360 18.877 10.407 17.072 1.00 0.00 N ATOM 363 CA GLY A 360 19.816 11.492 16.809 1.00 0.00 C ATOM 364 C GLY A 360 19.567 12.110 15.438 1.00 0.00 C ATOM 365 O GLY A 360 20.505 12.376 14.686 1.00 0.00 O ATOM 0 H GLY A 360 18.723 9.778 16.284 1.00 0.00 H new ATOM 0 HA2 GLY A 360 19.719 12.257 17.580 1.00 0.00 H new ATOM 0 HA3 GLY A 360 20.837 11.115 16.862 1.00 0.00 H new ATOM 369 N VAL A 361 18.298 12.337 15.120 1.00 0.00 N ATOM 370 CA VAL A 361 17.936 12.926 13.837 1.00 0.00 C ATOM 371 C VAL A 361 16.484 13.392 13.850 1.00 0.00 C ATOM 372 O VAL A 361 15.939 13.785 12.819 1.00 0.00 O ATOM 373 CB VAL A 361 18.141 11.903 12.718 1.00 0.00 C ATOM 374 CG1 VAL A 361 16.894 11.026 12.590 1.00 0.00 C ATOM 375 CG2 VAL A 361 18.387 12.636 11.398 1.00 0.00 C ATOM 0 H VAL A 361 17.507 12.124 15.728 1.00 0.00 H new ATOM 0 HA VAL A 361 18.577 13.789 13.660 1.00 0.00 H new ATOM 0 HB VAL A 361 19.001 11.276 12.953 1.00 0.00 H new ATOM 0 HG11 VAL A 361 17.042 10.298 11.792 1.00 0.00 H new ATOM 0 HG12 VAL A 361 16.718 10.504 13.530 1.00 0.00 H new ATOM 0 HG13 VAL A 361 16.032 11.651 12.356 1.00 0.00 H new ATOM 0 HG21 VAL A 361 18.533 11.908 10.600 1.00 0.00 H new ATOM 0 HG22 VAL A 361 17.527 13.263 11.164 1.00 0.00 H new ATOM 0 HG23 VAL A 361 19.277 13.259 11.488 1.00 0.00 H new ATOM 385 N VAL A 362 15.865 13.347 15.025 1.00 0.00 N ATOM 386 CA VAL A 362 14.475 13.767 15.163 1.00 0.00 C ATOM 387 C VAL A 362 14.328 15.242 14.808 1.00 0.00 C ATOM 388 O VAL A 362 13.217 15.760 14.697 1.00 0.00 O ATOM 389 CB VAL A 362 14.001 13.530 16.598 1.00 0.00 C ATOM 390 CG1 VAL A 362 12.704 14.300 16.850 1.00 0.00 C ATOM 391 CG2 VAL A 362 13.753 12.034 16.810 1.00 0.00 C ATOM 0 H VAL A 362 16.300 13.026 15.890 1.00 0.00 H new ATOM 0 HA VAL A 362 13.863 13.179 14.479 1.00 0.00 H new ATOM 0 HB VAL A 362 14.766 13.878 17.292 1.00 0.00 H new ATOM 0 HG11 VAL A 362 12.371 14.127 17.874 1.00 0.00 H new ATOM 0 HG12 VAL A 362 12.878 15.365 16.700 1.00 0.00 H new ATOM 0 HG13 VAL A 362 11.936 13.957 16.156 1.00 0.00 H new ATOM 0 HG21 VAL A 362 13.415 11.862 17.832 1.00 0.00 H new ATOM 0 HG22 VAL A 362 12.989 11.689 16.113 1.00 0.00 H new ATOM 0 HG23 VAL A 362 14.678 11.484 16.636 1.00 0.00 H new ATOM 401 N MET A 363 15.458 15.908 14.630 1.00 0.00 N ATOM 402 CA MET A 363 15.458 17.321 14.286 1.00 0.00 C ATOM 403 C MET A 363 14.583 17.584 13.067 1.00 0.00 C ATOM 404 O MET A 363 13.355 17.552 13.151 1.00 0.00 O ATOM 405 CB MET A 363 16.884 17.767 13.989 1.00 0.00 C ATOM 406 CG MET A 363 17.734 17.611 15.250 1.00 0.00 C ATOM 407 SD MET A 363 18.161 19.246 15.898 1.00 0.00 S ATOM 408 CE MET A 363 19.854 19.307 15.263 1.00 0.00 C ATOM 0 H MET A 363 16.386 15.493 14.718 1.00 0.00 H new ATOM 0 HA MET A 363 15.056 17.883 15.129 1.00 0.00 H new ATOM 0 HB2 MET A 363 17.303 17.171 13.178 1.00 0.00 H new ATOM 0 HB3 MET A 363 16.891 18.805 13.658 1.00 0.00 H new ATOM 0 HG2 MET A 363 17.187 17.042 16.002 1.00 0.00 H new ATOM 0 HG3 MET A 363 18.641 17.050 15.023 1.00 0.00 H new ATOM 0 HE1 MET A 363 20.317 20.251 15.552 1.00 0.00 H new ATOM 0 HE2 MET A 363 20.428 18.479 15.678 1.00 0.00 H new ATOM 0 HE3 MET A 363 19.838 19.228 14.176 1.00 0.00 H new ATOM 418 N ARG A 364 15.227 17.848 11.935 1.00 0.00 N ATOM 419 CA ARG A 364 14.502 18.118 10.701 1.00 0.00 C ATOM 420 C ARG A 364 15.163 17.409 9.524 1.00 0.00 C ATOM 421 O ARG A 364 15.797 18.041 8.679 1.00 0.00 O ATOM 422 CB ARG A 364 14.465 19.625 10.434 1.00 0.00 C ATOM 423 CG ARG A 364 13.800 20.341 11.610 1.00 0.00 C ATOM 424 CD ARG A 364 13.005 21.541 11.093 1.00 0.00 C ATOM 425 NE ARG A 364 12.576 22.381 12.206 1.00 0.00 N ATOM 426 CZ ARG A 364 12.282 23.665 12.024 1.00 0.00 C ATOM 427 NH1 ARG A 364 12.376 24.193 10.834 1.00 0.00 N ATOM 428 NH2 ARG A 364 11.902 24.396 13.034 1.00 0.00 N ATOM 0 H ARG A 364 16.243 17.880 11.847 1.00 0.00 H new ATOM 0 HA ARG A 364 13.484 17.743 10.812 1.00 0.00 H new ATOM 0 HB2 ARG A 364 15.477 20.004 10.291 1.00 0.00 H new ATOM 0 HB3 ARG A 364 13.916 19.828 9.515 1.00 0.00 H new ATOM 0 HG2 ARG A 364 13.140 19.655 12.141 1.00 0.00 H new ATOM 0 HG3 ARG A 364 14.556 20.672 12.323 1.00 0.00 H new ATOM 0 HD2 ARG A 364 13.618 22.123 10.405 1.00 0.00 H new ATOM 0 HD3 ARG A 364 12.136 21.196 10.533 1.00 0.00 H new ATOM 0 HE ARG A 364 12.500 21.977 13.139 1.00 0.00 H new ATOM 0 HH11 ARG A 364 12.675 23.621 10.044 1.00 0.00 H new ATOM 0 HH12 ARG A 364 12.151 25.178 10.694 1.00 0.00 H new ATOM 0 HH21 ARG A 364 11.830 23.983 13.964 1.00 0.00 H new ATOM 0 HH22 ARG A 364 11.676 25.381 12.894 1.00 0.00 H new ATOM 442 N PRO A 365 15.023 16.114 9.460 1.00 0.00 N ATOM 443 CA PRO A 365 15.610 15.289 8.371 1.00 0.00 C ATOM 444 C PRO A 365 14.762 15.317 7.103 1.00 0.00 C ATOM 445 O PRO A 365 15.289 15.376 5.992 1.00 0.00 O ATOM 446 CB PRO A 365 15.646 13.886 8.976 1.00 0.00 C ATOM 447 CG PRO A 365 14.531 13.853 9.973 1.00 0.00 C ATOM 448 CD PRO A 365 14.283 15.291 10.429 1.00 0.00 C ATOM 0 HA PRO A 365 16.588 15.653 8.057 1.00 0.00 H new ATOM 0 HB2 PRO A 365 15.509 13.124 8.209 1.00 0.00 H new ATOM 0 HB3 PRO A 365 16.606 13.689 9.454 1.00 0.00 H new ATOM 0 HG2 PRO A 365 13.630 13.431 9.528 1.00 0.00 H new ATOM 0 HG3 PRO A 365 14.793 13.221 10.821 1.00 0.00 H new ATOM 0 HD2 PRO A 365 13.220 15.532 10.425 1.00 0.00 H new ATOM 0 HD3 PRO A 365 14.643 15.453 11.445 1.00 0.00 H new ATOM 456 N LYS A 366 13.445 15.276 7.277 1.00 0.00 N ATOM 457 CA LYS A 366 12.533 15.297 6.140 1.00 0.00 C ATOM 458 C LYS A 366 13.001 14.328 5.059 1.00 0.00 C ATOM 459 O LYS A 366 12.754 14.539 3.872 1.00 0.00 O ATOM 460 CB LYS A 366 12.454 16.711 5.559 1.00 0.00 C ATOM 461 CG LYS A 366 12.018 17.688 6.654 1.00 0.00 C ATOM 462 CD LYS A 366 11.705 19.049 6.028 1.00 0.00 C ATOM 463 CE LYS A 366 12.949 19.582 5.315 1.00 0.00 C ATOM 464 NZ LYS A 366 12.901 21.071 5.279 1.00 0.00 N ATOM 0 H LYS A 366 12.988 15.228 8.188 1.00 0.00 H new ATOM 0 HA LYS A 366 11.546 14.990 6.485 1.00 0.00 H new ATOM 0 HB2 LYS A 366 13.424 17.006 5.158 1.00 0.00 H new ATOM 0 HB3 LYS A 366 11.746 16.737 4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 366 11.139 17.303 7.171 1.00 0.00 H new ATOM 0 HG3 LYS A 366 12.807 17.791 7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 366 10.880 18.955 5.321 1.00 0.00 H new ATOM 0 HD3 LYS A 366 11.386 19.751 6.799 1.00 0.00 H new ATOM 0 HE2 LYS A 366 13.849 19.249 5.832 1.00 0.00 H new ATOM 0 HE3 LYS A 366 12.999 19.184 4.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 13.747 21.434 4.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 12.050 21.379 4.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 12.873 21.441 6.251 1.00 0.00 H new ATOM 478 N LYS A 367 13.679 13.264 5.479 1.00 0.00 N ATOM 479 CA LYS A 367 14.177 12.268 4.539 1.00 0.00 C ATOM 480 C LYS A 367 14.945 12.938 3.404 1.00 0.00 C ATOM 481 O LYS A 367 15.166 14.148 3.429 1.00 0.00 O ATOM 482 CB LYS A 367 13.010 11.463 3.963 1.00 0.00 C ATOM 483 CG LYS A 367 12.667 10.312 4.910 1.00 0.00 C ATOM 484 CD LYS A 367 11.191 9.941 4.750 1.00 0.00 C ATOM 485 CE LYS A 367 10.922 8.603 5.439 1.00 0.00 C ATOM 486 NZ LYS A 367 11.173 8.739 6.902 1.00 0.00 N ATOM 0 H LYS A 367 13.895 13.071 6.457 1.00 0.00 H new ATOM 0 HA LYS A 367 14.851 11.598 5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 367 12.142 12.108 3.828 1.00 0.00 H new ATOM 0 HB3 LYS A 367 13.274 11.073 2.980 1.00 0.00 H new ATOM 0 HG2 LYS A 367 13.296 9.448 4.692 1.00 0.00 H new ATOM 0 HG3 LYS A 367 12.870 10.602 5.941 1.00 0.00 H new ATOM 0 HD2 LYS A 367 10.561 10.718 5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 367 10.934 9.875 3.693 1.00 0.00 H new ATOM 0 HE2 LYS A 367 9.892 8.292 5.263 1.00 0.00 H new ATOM 0 HE3 LYS A 367 11.565 7.830 5.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 10.801 7.904 7.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 12.196 8.816 7.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 10.697 9.593 7.258 1.00 0.00 H new HETATM 500 N NH2 A 368 15.367 12.217 2.401 1.00 0.00 N TER 503 NH2 A 368