USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=11 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 180:sc= 0 USER MOD Single : A 339 TYR OH : rot 150:sc= -5.65! USER MOD Single : A 340 MET CE :methyl -149:sc= -3.33! (180deg=-7.34!) USER MOD Single : A 342 TYR OH : rot 180:sc= 0 USER MOD Single : A 344 SER OG : rot -37:sc= 0.368 USER MOD Single : A 349 HIS : no HD1:sc= -2.83! C(o=-2.8!,f=-3.6!) USER MOD Single : A 351 SER OG : rot 71:sc= 0.73 USER MOD Single : A 354 MET CE :methyl -158:sc= -0.186 (180deg=-1.31!) USER MOD Single : A 359 SER OG : rot 180:sc= -0.776 USER MOD Single : A 363 MET CE :methyl 178:sc= 0 (180deg=-0.00562) USER MOD Single : A 366 LYS NZ :NH3+ 166:sc= -0.861 (180deg=-1.17) USER MOD Single : A 367 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0206) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 336 37.574 9.417 -6.664 1.00 0.00 C HETATM 2 O ACE A 336 38.532 8.962 -6.040 1.00 0.00 O HETATM 3 CH3 ACE A 336 37.723 9.834 -8.124 1.00 0.00 C HETATM 0 H1 ACE A 336 37.041 9.249 -8.741 1.00 0.00 H new HETATM 0 H2 ACE A 336 37.486 10.893 -8.226 1.00 0.00 H new HETATM 0 H3 ACE A 336 38.748 9.658 -8.450 1.00 0.00 H new ATOM 7 N LYS A 337 36.370 9.578 -6.126 1.00 0.00 N ATOM 8 CA LYS A 337 36.112 9.217 -4.736 1.00 0.00 C ATOM 9 C LYS A 337 34.618 9.294 -4.414 1.00 0.00 C ATOM 10 O LYS A 337 34.235 9.446 -3.254 1.00 0.00 O ATOM 11 CB LYS A 337 36.901 10.145 -3.797 1.00 0.00 C ATOM 12 CG LYS A 337 36.271 11.547 -3.756 1.00 0.00 C ATOM 13 CD LYS A 337 36.069 12.079 -5.176 1.00 0.00 C ATOM 14 CE LYS A 337 35.839 13.590 -5.125 1.00 0.00 C ATOM 15 NZ LYS A 337 37.133 14.297 -5.343 1.00 0.00 N ATOM 0 H LYS A 337 35.563 9.953 -6.626 1.00 0.00 H new ATOM 0 HA LYS A 337 36.439 8.188 -4.586 1.00 0.00 H new ATOM 0 HB2 LYS A 337 36.921 9.721 -2.793 1.00 0.00 H new ATOM 0 HB3 LYS A 337 37.935 10.216 -4.134 1.00 0.00 H new ATOM 0 HG2 LYS A 337 35.314 11.508 -3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 337 36.913 12.225 -3.194 1.00 0.00 H new ATOM 0 HD2 LYS A 337 36.942 11.854 -5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 337 35.216 11.586 -5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 337 35.118 13.885 -5.888 1.00 0.00 H new ATOM 0 HE3 LYS A 337 35.416 13.872 -4.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 337 36.977 15.325 -5.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 337 37.807 14.024 -4.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 337 37.519 14.036 -6.273 1.00 0.00 H new ATOM 29 N SER A 338 33.783 9.184 -5.447 1.00 0.00 N ATOM 30 CA SER A 338 32.334 9.246 -5.259 1.00 0.00 C ATOM 31 C SER A 338 31.671 7.931 -5.659 1.00 0.00 C ATOM 32 O SER A 338 30.878 7.886 -6.600 1.00 0.00 O ATOM 33 CB SER A 338 31.753 10.381 -6.100 1.00 0.00 C ATOM 34 OG SER A 338 30.482 10.748 -5.579 1.00 0.00 O ATOM 0 H SER A 338 34.081 9.053 -6.414 1.00 0.00 H new ATOM 0 HA SER A 338 32.136 9.427 -4.202 1.00 0.00 H new ATOM 0 HB2 SER A 338 32.425 11.239 -6.088 1.00 0.00 H new ATOM 0 HB3 SER A 338 31.656 10.066 -7.139 1.00 0.00 H new ATOM 0 HG SER A 338 30.107 11.477 -6.115 1.00 0.00 H new ATOM 40 N TYR A 339 31.990 6.864 -4.933 1.00 0.00 N ATOM 41 CA TYR A 339 31.406 5.556 -5.218 1.00 0.00 C ATOM 42 C TYR A 339 31.993 4.487 -4.285 1.00 0.00 C ATOM 43 O TYR A 339 31.706 4.483 -3.087 1.00 0.00 O ATOM 44 CB TYR A 339 31.628 5.194 -6.696 1.00 0.00 C ATOM 45 CG TYR A 339 32.895 5.844 -7.212 1.00 0.00 C ATOM 46 CD1 TYR A 339 34.029 5.942 -6.396 1.00 0.00 C ATOM 47 CD2 TYR A 339 32.926 6.352 -8.515 1.00 0.00 C ATOM 48 CE1 TYR A 339 35.193 6.547 -6.884 1.00 0.00 C ATOM 49 CE2 TYR A 339 34.089 6.958 -9.005 1.00 0.00 C ATOM 50 CZ TYR A 339 35.223 7.055 -8.189 1.00 0.00 C ATOM 51 OH TYR A 339 36.370 7.652 -8.670 1.00 0.00 O ATOM 0 H TYR A 339 32.643 6.877 -4.150 1.00 0.00 H new ATOM 0 HA TYR A 339 30.332 5.598 -5.034 1.00 0.00 H new ATOM 0 HB2 TYR A 339 31.696 4.112 -6.806 1.00 0.00 H new ATOM 0 HB3 TYR A 339 30.775 5.522 -7.290 1.00 0.00 H new ATOM 0 HD1 TYR A 339 34.005 5.551 -5.390 1.00 0.00 H new ATOM 0 HD2 TYR A 339 32.051 6.277 -9.144 1.00 0.00 H new ATOM 0 HE1 TYR A 339 36.068 6.622 -6.255 1.00 0.00 H new ATOM 0 HE2 TYR A 339 34.112 7.350 -10.011 1.00 0.00 H new ATOM 0 HH TYR A 339 36.426 7.520 -9.639 1.00 0.00 H new ATOM 61 N MET A 340 32.815 3.592 -4.829 1.00 0.00 N ATOM 62 CA MET A 340 33.426 2.537 -4.028 1.00 0.00 C ATOM 63 C MET A 340 34.339 3.134 -2.965 1.00 0.00 C ATOM 64 O MET A 340 34.900 2.417 -2.137 1.00 0.00 O ATOM 65 CB MET A 340 34.237 1.609 -4.933 1.00 0.00 C ATOM 66 CG MET A 340 35.168 2.440 -5.819 1.00 0.00 C ATOM 67 SD MET A 340 34.393 2.694 -7.434 1.00 0.00 S ATOM 68 CE MET A 340 35.684 3.744 -8.149 1.00 0.00 C ATOM 0 H MET A 340 33.072 3.577 -5.816 1.00 0.00 H new ATOM 0 HA MET A 340 32.635 1.972 -3.535 1.00 0.00 H new ATOM 0 HB2 MET A 340 34.819 0.913 -4.329 1.00 0.00 H new ATOM 0 HB3 MET A 340 33.567 1.011 -5.552 1.00 0.00 H new ATOM 0 HG2 MET A 340 35.375 3.401 -5.348 1.00 0.00 H new ATOM 0 HG3 MET A 340 36.124 1.931 -5.938 1.00 0.00 H new ATOM 0 HE1 MET A 340 35.235 4.443 -8.854 1.00 0.00 H new ATOM 0 HE2 MET A 340 36.182 4.300 -7.355 1.00 0.00 H new ATOM 0 HE3 MET A 340 36.413 3.122 -8.669 1.00 0.00 H new ATOM 78 N ALA A 341 34.483 4.451 -3.001 1.00 0.00 N ATOM 79 CA ALA A 341 35.332 5.146 -2.045 1.00 0.00 C ATOM 80 C ALA A 341 34.527 5.602 -0.835 1.00 0.00 C ATOM 81 O ALA A 341 35.057 5.707 0.272 1.00 0.00 O ATOM 82 CB ALA A 341 35.961 6.365 -2.715 1.00 0.00 C ATOM 0 H ALA A 341 34.024 5.058 -3.680 1.00 0.00 H new ATOM 0 HA ALA A 341 36.108 4.458 -1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 341 36.597 6.886 -1.999 1.00 0.00 H new ATOM 0 HB2 ALA A 341 36.561 6.043 -3.566 1.00 0.00 H new ATOM 0 HB3 ALA A 341 35.175 7.038 -3.058 1.00 0.00 H new ATOM 88 N TYR A 342 33.251 5.893 -1.056 1.00 0.00 N ATOM 89 CA TYR A 342 32.392 6.359 0.024 1.00 0.00 C ATOM 90 C TYR A 342 31.575 5.214 0.623 1.00 0.00 C ATOM 91 O TYR A 342 31.503 5.075 1.844 1.00 0.00 O ATOM 92 CB TYR A 342 31.463 7.454 -0.501 1.00 0.00 C ATOM 93 CG TYR A 342 30.136 6.847 -0.873 1.00 0.00 C ATOM 94 CD1 TYR A 342 29.145 6.669 0.101 1.00 0.00 C ATOM 95 CD2 TYR A 342 29.897 6.454 -2.195 1.00 0.00 C ATOM 96 CE1 TYR A 342 27.915 6.099 -0.249 1.00 0.00 C ATOM 97 CE2 TYR A 342 28.667 5.883 -2.543 1.00 0.00 C ATOM 98 CZ TYR A 342 27.676 5.706 -1.571 1.00 0.00 C ATOM 99 OH TYR A 342 26.464 5.143 -1.915 1.00 0.00 O ATOM 0 H TYR A 342 32.792 5.816 -1.964 1.00 0.00 H new ATOM 0 HA TYR A 342 33.023 6.762 0.816 1.00 0.00 H new ATOM 0 HB2 TYR A 342 31.324 8.223 0.259 1.00 0.00 H new ATOM 0 HB3 TYR A 342 31.909 7.940 -1.369 1.00 0.00 H new ATOM 0 HD1 TYR A 342 29.330 6.971 1.121 1.00 0.00 H new ATOM 0 HD2 TYR A 342 30.661 6.591 -2.946 1.00 0.00 H new ATOM 0 HE1 TYR A 342 27.150 5.962 0.501 1.00 0.00 H new ATOM 0 HE2 TYR A 342 28.483 5.579 -3.563 1.00 0.00 H new ATOM 0 HH TYR A 342 26.463 4.929 -2.871 1.00 0.00 H new ATOM 109 N LEU A 343 30.956 4.399 -0.230 1.00 0.00 N ATOM 110 CA LEU A 343 30.153 3.284 0.260 1.00 0.00 C ATOM 111 C LEU A 343 31.027 2.306 1.037 1.00 0.00 C ATOM 112 O LEU A 343 30.529 1.500 1.823 1.00 0.00 O ATOM 113 CB LEU A 343 29.448 2.568 -0.904 1.00 0.00 C ATOM 114 CG LEU A 343 30.430 1.654 -1.653 1.00 0.00 C ATOM 115 CD1 LEU A 343 30.320 0.213 -1.138 1.00 0.00 C ATOM 116 CD2 LEU A 343 30.086 1.671 -3.144 1.00 0.00 C ATOM 0 H LEU A 343 30.994 4.488 -1.245 1.00 0.00 H new ATOM 0 HA LEU A 343 29.389 3.678 0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 343 28.613 1.979 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 343 29.032 3.304 -1.592 1.00 0.00 H new ATOM 0 HG LEU A 343 31.445 2.016 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 343 31.022 -0.421 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 343 30.554 0.188 -0.074 1.00 0.00 H new ATOM 0 HD13 LEU A 343 29.305 -0.153 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 343 30.778 1.025 -3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 343 29.067 1.311 -3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 343 30.168 2.689 -3.525 1.00 0.00 H new ATOM 128 N SER A 344 32.334 2.394 0.817 1.00 0.00 N ATOM 129 CA SER A 344 33.276 1.521 1.507 1.00 0.00 C ATOM 130 C SER A 344 33.710 2.155 2.823 1.00 0.00 C ATOM 131 O SER A 344 34.539 1.604 3.547 1.00 0.00 O ATOM 132 CB SER A 344 34.502 1.276 0.627 1.00 0.00 C ATOM 133 OG SER A 344 35.268 0.211 1.175 1.00 0.00 O ATOM 0 H SER A 344 32.763 3.056 0.171 1.00 0.00 H new ATOM 0 HA SER A 344 32.786 0.570 1.713 1.00 0.00 H new ATOM 0 HB2 SER A 344 34.192 1.031 -0.389 1.00 0.00 H new ATOM 0 HB3 SER A 344 35.107 2.181 0.566 1.00 0.00 H new ATOM 0 HG SER A 344 35.245 0.261 2.153 1.00 0.00 H new ATOM 139 N ALA A 345 33.142 3.322 3.120 1.00 0.00 N ATOM 140 CA ALA A 345 33.471 4.043 4.346 1.00 0.00 C ATOM 141 C ALA A 345 32.228 4.248 5.206 1.00 0.00 C ATOM 142 O ALA A 345 32.252 5.008 6.175 1.00 0.00 O ATOM 143 CB ALA A 345 34.075 5.404 3.996 1.00 0.00 C ATOM 0 H ALA A 345 32.453 3.787 2.529 1.00 0.00 H new ATOM 0 HA ALA A 345 34.192 3.451 4.910 1.00 0.00 H new ATOM 0 HB1 ALA A 345 34.320 5.940 4.913 1.00 0.00 H new ATOM 0 HB2 ALA A 345 34.981 5.259 3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 345 33.355 5.984 3.418 1.00 0.00 H new ATOM 149 N GLU A 346 31.141 3.572 4.848 1.00 0.00 N ATOM 150 CA GLU A 346 29.897 3.698 5.599 1.00 0.00 C ATOM 151 C GLU A 346 29.113 2.390 5.573 1.00 0.00 C ATOM 152 O GLU A 346 28.031 2.315 4.988 1.00 0.00 O ATOM 153 CB GLU A 346 29.041 4.815 5.001 1.00 0.00 C ATOM 154 CG GLU A 346 28.834 4.548 3.509 1.00 0.00 C ATOM 155 CD GLU A 346 27.346 4.559 3.178 1.00 0.00 C ATOM 156 OE1 GLU A 346 26.787 5.640 3.092 1.00 0.00 O ATOM 157 OE2 GLU A 346 26.789 3.487 3.010 1.00 0.00 O ATOM 0 H GLU A 346 31.096 2.937 4.051 1.00 0.00 H new ATOM 0 HA GLU A 346 30.145 3.937 6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 346 28.079 4.864 5.511 1.00 0.00 H new ATOM 0 HB3 GLU A 346 29.528 5.779 5.146 1.00 0.00 H new ATOM 0 HG2 GLU A 346 29.351 5.306 2.921 1.00 0.00 H new ATOM 0 HG3 GLU A 346 29.268 3.585 3.240 1.00 0.00 H new ATOM 164 N LEU A 347 29.663 1.363 6.208 1.00 0.00 N ATOM 165 CA LEU A 347 29.004 0.062 6.248 1.00 0.00 C ATOM 166 C LEU A 347 29.161 -0.581 7.623 1.00 0.00 C ATOM 167 O LEU A 347 28.786 -1.735 7.830 1.00 0.00 O ATOM 168 CB LEU A 347 29.600 -0.855 5.178 1.00 0.00 C ATOM 169 CG LEU A 347 31.118 -0.931 5.353 1.00 0.00 C ATOM 170 CD1 LEU A 347 31.565 -2.393 5.317 1.00 0.00 C ATOM 171 CD2 LEU A 347 31.800 -0.163 4.221 1.00 0.00 C ATOM 0 H LEU A 347 30.556 1.403 6.699 1.00 0.00 H new ATOM 0 HA LEU A 347 27.942 0.207 6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 347 29.165 -1.851 5.255 1.00 0.00 H new ATOM 0 HB3 LEU A 347 29.357 -0.477 4.185 1.00 0.00 H new ATOM 0 HG LEU A 347 31.395 -0.491 6.311 1.00 0.00 H new ATOM 0 HD11 LEU A 347 32.647 -2.446 5.442 1.00 0.00 H new ATOM 0 HD12 LEU A 347 31.079 -2.942 6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 347 31.288 -2.835 4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 347 32.882 -0.217 4.345 1.00 0.00 H new ATOM 0 HD22 LEU A 347 31.522 -0.604 3.263 1.00 0.00 H new ATOM 0 HD23 LEU A 347 31.483 0.880 4.246 1.00 0.00 H new ATOM 183 N PHE A 348 29.731 0.174 8.553 1.00 0.00 N ATOM 184 CA PHE A 348 29.956 -0.317 9.906 1.00 0.00 C ATOM 185 C PHE A 348 29.574 0.748 10.928 1.00 0.00 C ATOM 186 O PHE A 348 29.252 0.439 12.075 1.00 0.00 O ATOM 187 CB PHE A 348 31.434 -0.670 10.077 1.00 0.00 C ATOM 188 CG PHE A 348 32.255 0.601 10.051 1.00 0.00 C ATOM 189 CD1 PHE A 348 32.329 1.363 8.878 1.00 0.00 C ATOM 190 CD2 PHE A 348 32.934 1.020 11.201 1.00 0.00 C ATOM 191 CE1 PHE A 348 33.083 2.541 8.855 1.00 0.00 C ATOM 192 CE2 PHE A 348 33.689 2.199 11.178 1.00 0.00 C ATOM 193 CZ PHE A 348 33.763 2.960 10.005 1.00 0.00 C ATOM 0 H PHE A 348 30.047 1.131 8.394 1.00 0.00 H new ATOM 0 HA PHE A 348 29.339 -1.201 10.067 1.00 0.00 H new ATOM 0 HB2 PHE A 348 31.588 -1.197 11.018 1.00 0.00 H new ATOM 0 HB3 PHE A 348 31.755 -1.341 9.280 1.00 0.00 H new ATOM 0 HD1 PHE A 348 31.804 1.041 7.991 1.00 0.00 H new ATOM 0 HD2 PHE A 348 32.876 0.434 12.106 1.00 0.00 H new ATOM 0 HE1 PHE A 348 33.141 3.127 7.950 1.00 0.00 H new ATOM 0 HE2 PHE A 348 34.214 2.521 12.065 1.00 0.00 H new ATOM 0 HZ PHE A 348 34.344 3.870 9.987 1.00 0.00 H new ATOM 203 N HIS A 349 29.623 2.003 10.499 1.00 0.00 N ATOM 204 CA HIS A 349 29.294 3.120 11.376 1.00 0.00 C ATOM 205 C HIS A 349 27.960 2.889 12.084 1.00 0.00 C ATOM 206 O HIS A 349 27.847 3.109 13.289 1.00 0.00 O ATOM 207 CB HIS A 349 29.236 4.414 10.562 1.00 0.00 C ATOM 208 CG HIS A 349 28.015 4.410 9.684 1.00 0.00 C ATOM 209 ND1 HIS A 349 26.881 5.145 9.988 1.00 0.00 N ATOM 210 CD2 HIS A 349 27.741 3.770 8.501 1.00 0.00 C ATOM 211 CE1 HIS A 349 25.984 4.931 9.009 1.00 0.00 C ATOM 212 NE2 HIS A 349 26.457 4.100 8.076 1.00 0.00 N ATOM 0 H HIS A 349 29.887 2.273 9.551 1.00 0.00 H new ATOM 0 HA HIS A 349 30.071 3.201 12.136 1.00 0.00 H new ATOM 0 HB2 HIS A 349 29.211 5.274 11.231 1.00 0.00 H new ATOM 0 HB3 HIS A 349 30.134 4.511 9.951 1.00 0.00 H new ATOM 0 HD2 HIS A 349 28.419 3.111 7.979 1.00 0.00 H new ATOM 0 HE1 HIS A 349 25.001 5.377 8.981 1.00 0.00 H new ATOM 0 HE2 HIS A 349 25.980 3.777 7.234 1.00 0.00 H new ATOM 220 N LEU A 350 26.955 2.451 11.331 1.00 0.00 N ATOM 221 CA LEU A 350 25.638 2.203 11.906 1.00 0.00 C ATOM 222 C LEU A 350 25.761 1.540 13.275 1.00 0.00 C ATOM 223 O LEU A 350 25.064 1.910 14.209 1.00 0.00 O ATOM 224 CB LEU A 350 24.796 1.306 10.985 1.00 0.00 C ATOM 225 CG LEU A 350 25.465 1.164 9.617 1.00 0.00 C ATOM 226 CD1 LEU A 350 26.717 0.295 9.740 1.00 0.00 C ATOM 227 CD2 LEU A 350 24.487 0.503 8.643 1.00 0.00 C ATOM 0 H LEU A 350 27.026 2.262 10.331 1.00 0.00 H new ATOM 0 HA LEU A 350 25.142 3.168 12.016 1.00 0.00 H new ATOM 0 HB2 LEU A 350 24.672 0.323 11.439 1.00 0.00 H new ATOM 0 HB3 LEU A 350 23.799 1.731 10.866 1.00 0.00 H new ATOM 0 HG LEU A 350 25.745 2.151 9.249 1.00 0.00 H new ATOM 0 HD11 LEU A 350 27.189 0.197 8.763 1.00 0.00 H new ATOM 0 HD12 LEU A 350 27.416 0.760 10.436 1.00 0.00 H new ATOM 0 HD13 LEU A 350 26.440 -0.692 10.109 1.00 0.00 H new ATOM 0 HD21 LEU A 350 24.960 0.400 7.666 1.00 0.00 H new ATOM 0 HD22 LEU A 350 24.210 -0.482 9.018 1.00 0.00 H new ATOM 0 HD23 LEU A 350 23.593 1.120 8.550 1.00 0.00 H new ATOM 239 N SER A 351 26.646 0.556 13.386 1.00 0.00 N ATOM 240 CA SER A 351 26.836 -0.156 14.650 1.00 0.00 C ATOM 241 C SER A 351 27.213 0.797 15.786 1.00 0.00 C ATOM 242 O SER A 351 28.361 0.816 16.231 1.00 0.00 O ATOM 243 CB SER A 351 27.931 -1.210 14.490 1.00 0.00 C ATOM 244 OG SER A 351 29.201 -0.571 14.496 1.00 0.00 O ATOM 0 H SER A 351 27.241 0.233 12.623 1.00 0.00 H new ATOM 0 HA SER A 351 25.890 -0.633 14.907 1.00 0.00 H new ATOM 0 HB2 SER A 351 27.873 -1.937 15.300 1.00 0.00 H new ATOM 0 HB3 SER A 351 27.791 -1.758 13.558 1.00 0.00 H new ATOM 0 HG SER A 351 29.396 -0.239 15.397 1.00 0.00 H new ATOM 250 N GLY A 352 26.247 1.588 16.251 1.00 0.00 N ATOM 251 CA GLY A 352 26.498 2.533 17.331 1.00 0.00 C ATOM 252 C GLY A 352 25.801 3.841 17.021 1.00 0.00 C ATOM 253 O GLY A 352 25.258 4.505 17.904 1.00 0.00 O ATOM 0 H GLY A 352 25.290 1.592 15.898 1.00 0.00 H new ATOM 0 HA2 GLY A 352 26.135 2.129 18.276 1.00 0.00 H new ATOM 0 HA3 GLY A 352 27.570 2.696 17.445 1.00 0.00 H new ATOM 257 N ILE A 353 25.807 4.183 15.744 1.00 0.00 N ATOM 258 CA ILE A 353 25.164 5.393 15.275 1.00 0.00 C ATOM 259 C ILE A 353 23.745 5.064 14.820 1.00 0.00 C ATOM 260 O ILE A 353 22.909 5.947 14.642 1.00 0.00 O ATOM 261 CB ILE A 353 25.970 5.970 14.114 1.00 0.00 C ATOM 262 CG1 ILE A 353 27.219 6.663 14.664 1.00 0.00 C ATOM 263 CG2 ILE A 353 25.126 6.983 13.344 1.00 0.00 C ATOM 264 CD1 ILE A 353 28.411 6.363 13.754 1.00 0.00 C ATOM 0 H ILE A 353 26.254 3.633 15.010 1.00 0.00 H new ATOM 0 HA ILE A 353 25.118 6.129 16.078 1.00 0.00 H new ATOM 0 HB ILE A 353 26.259 5.163 13.441 1.00 0.00 H new ATOM 0 HG12 ILE A 353 27.055 7.739 14.723 1.00 0.00 H new ATOM 0 HG13 ILE A 353 27.424 6.316 15.677 1.00 0.00 H new ATOM 0 HG21 ILE A 353 25.709 7.389 12.518 1.00 0.00 H new ATOM 0 HG22 ILE A 353 24.235 6.492 12.952 1.00 0.00 H new ATOM 0 HG23 ILE A 353 24.830 7.792 14.012 1.00 0.00 H new ATOM 0 HD11 ILE A 353 29.301 6.856 14.145 1.00 0.00 H new ATOM 0 HD12 ILE A 353 28.579 5.287 13.718 1.00 0.00 H new ATOM 0 HD13 ILE A 353 28.204 6.732 12.749 1.00 0.00 H new ATOM 276 N MET A 354 23.492 3.769 14.639 1.00 0.00 N ATOM 277 CA MET A 354 22.185 3.294 14.205 1.00 0.00 C ATOM 278 C MET A 354 21.169 3.400 15.338 1.00 0.00 C ATOM 279 O MET A 354 20.008 3.746 15.124 1.00 0.00 O ATOM 280 CB MET A 354 22.274 1.833 13.769 1.00 0.00 C ATOM 281 CG MET A 354 22.578 0.966 14.990 1.00 0.00 C ATOM 282 SD MET A 354 23.270 -0.618 14.450 1.00 0.00 S ATOM 283 CE MET A 354 22.026 -0.997 13.191 1.00 0.00 C ATOM 0 H MET A 354 24.179 3.030 14.787 1.00 0.00 H new ATOM 0 HA MET A 354 21.864 3.915 13.369 1.00 0.00 H new ATOM 0 HB2 MET A 354 21.337 1.520 13.309 1.00 0.00 H new ATOM 0 HB3 MET A 354 23.054 1.711 13.017 1.00 0.00 H new ATOM 0 HG2 MET A 354 23.282 1.478 15.646 1.00 0.00 H new ATOM 0 HG3 MET A 354 21.668 0.800 15.567 1.00 0.00 H new ATOM 0 HE1 MET A 354 22.015 -2.070 13.001 1.00 0.00 H new ATOM 0 HE2 MET A 354 21.044 -0.681 13.543 1.00 0.00 H new ATOM 0 HE3 MET A 354 22.268 -0.468 12.269 1.00 0.00 H new ATOM 293 N ALA A 355 21.624 3.084 16.545 1.00 0.00 N ATOM 294 CA ALA A 355 20.767 3.128 17.721 1.00 0.00 C ATOM 295 C ALA A 355 20.296 4.549 17.974 1.00 0.00 C ATOM 296 O ALA A 355 19.327 4.772 18.701 1.00 0.00 O ATOM 297 CB ALA A 355 21.533 2.616 18.941 1.00 0.00 C ATOM 0 H ALA A 355 22.584 2.794 16.734 1.00 0.00 H new ATOM 0 HA ALA A 355 19.899 2.492 17.546 1.00 0.00 H new ATOM 0 HB1 ALA A 355 20.886 2.651 19.818 1.00 0.00 H new ATOM 0 HB2 ALA A 355 21.851 1.588 18.766 1.00 0.00 H new ATOM 0 HB3 ALA A 355 22.408 3.243 19.110 1.00 0.00 H new ATOM 303 N LEU A 356 20.990 5.503 17.364 1.00 0.00 N ATOM 304 CA LEU A 356 20.641 6.906 17.516 1.00 0.00 C ATOM 305 C LEU A 356 20.360 7.536 16.158 1.00 0.00 C ATOM 306 O LEU A 356 19.932 8.687 16.092 1.00 0.00 O ATOM 307 CB LEU A 356 21.760 7.672 18.235 1.00 0.00 C ATOM 308 CG LEU A 356 23.087 7.483 17.502 1.00 0.00 C ATOM 309 CD1 LEU A 356 23.388 8.723 16.658 1.00 0.00 C ATOM 310 CD2 LEU A 356 24.206 7.282 18.526 1.00 0.00 C ATOM 0 H LEU A 356 21.795 5.329 16.762 1.00 0.00 H new ATOM 0 HA LEU A 356 19.738 6.966 18.123 1.00 0.00 H new ATOM 0 HB2 LEU A 356 21.511 8.732 18.284 1.00 0.00 H new ATOM 0 HB3 LEU A 356 21.850 7.318 19.262 1.00 0.00 H new ATOM 0 HG LEU A 356 23.022 6.610 16.852 1.00 0.00 H new ATOM 0 HD11 LEU A 356 24.335 8.587 16.136 1.00 0.00 H new ATOM 0 HD12 LEU A 356 22.590 8.870 15.930 1.00 0.00 H new ATOM 0 HD13 LEU A 356 23.454 9.597 17.306 1.00 0.00 H new ATOM 0 HD21 LEU A 356 25.155 7.147 18.006 1.00 0.00 H new ATOM 0 HD22 LEU A 356 24.268 8.157 19.173 1.00 0.00 H new ATOM 0 HD23 LEU A 356 23.993 6.399 19.129 1.00 0.00 H new ATOM 322 N ILE A 357 20.590 6.774 15.077 1.00 0.00 N ATOM 323 CA ILE A 357 20.328 7.290 13.726 1.00 0.00 C ATOM 324 C ILE A 357 19.083 8.169 13.747 1.00 0.00 C ATOM 325 O ILE A 357 19.038 9.223 13.114 1.00 0.00 O ATOM 326 CB ILE A 357 20.127 6.120 12.735 1.00 0.00 C ATOM 327 CG1 ILE A 357 21.361 6.008 11.828 1.00 0.00 C ATOM 328 CG2 ILE A 357 18.880 6.337 11.854 1.00 0.00 C ATOM 329 CD1 ILE A 357 21.278 4.739 10.972 1.00 0.00 C ATOM 0 H ILE A 357 20.949 5.820 15.110 1.00 0.00 H new ATOM 0 HA ILE A 357 21.184 7.881 13.401 1.00 0.00 H new ATOM 0 HB ILE A 357 19.988 5.206 13.313 1.00 0.00 H new ATOM 0 HG12 ILE A 357 21.429 6.885 11.185 1.00 0.00 H new ATOM 0 HG13 ILE A 357 22.266 5.987 12.435 1.00 0.00 H new ATOM 0 HG21 ILE A 357 18.768 5.497 11.169 1.00 0.00 H new ATOM 0 HG22 ILE A 357 17.996 6.410 12.487 1.00 0.00 H new ATOM 0 HG23 ILE A 357 18.994 7.258 11.283 1.00 0.00 H new ATOM 0 HD11 ILE A 357 22.159 4.672 10.334 1.00 0.00 H new ATOM 0 HD12 ILE A 357 21.233 3.865 11.621 1.00 0.00 H new ATOM 0 HD13 ILE A 357 20.383 4.777 10.351 1.00 0.00 H new ATOM 341 N ALA A 358 18.075 7.711 14.480 1.00 0.00 N ATOM 342 CA ALA A 358 16.820 8.449 14.582 1.00 0.00 C ATOM 343 C ALA A 358 16.814 9.347 15.814 1.00 0.00 C ATOM 344 O ALA A 358 16.087 10.339 15.868 1.00 0.00 O ATOM 345 CB ALA A 358 15.647 7.469 14.656 1.00 0.00 C ATOM 0 H ALA A 358 18.100 6.839 15.009 1.00 0.00 H new ATOM 0 HA ALA A 358 16.719 9.076 13.696 1.00 0.00 H new ATOM 0 HB1 ALA A 358 14.713 8.025 14.732 1.00 0.00 H new ATOM 0 HB2 ALA A 358 15.630 6.853 13.757 1.00 0.00 H new ATOM 0 HB3 ALA A 358 15.761 6.830 15.532 1.00 0.00 H new ATOM 351 N SER A 359 17.625 8.992 16.804 1.00 0.00 N ATOM 352 CA SER A 359 17.700 9.770 18.036 1.00 0.00 C ATOM 353 C SER A 359 18.767 10.856 17.926 1.00 0.00 C ATOM 354 O SER A 359 19.007 11.599 18.877 1.00 0.00 O ATOM 355 CB SER A 359 18.023 8.849 19.210 1.00 0.00 C ATOM 356 OG SER A 359 19.416 8.907 19.484 1.00 0.00 O ATOM 0 H SER A 359 18.236 8.176 16.779 1.00 0.00 H new ATOM 0 HA SER A 359 16.734 10.248 18.202 1.00 0.00 H new ATOM 0 HB2 SER A 359 17.455 9.150 20.090 1.00 0.00 H new ATOM 0 HB3 SER A 359 17.729 7.826 18.976 1.00 0.00 H new ATOM 0 HG SER A 359 19.626 8.318 20.239 1.00 0.00 H new ATOM 362 N GLY A 360 19.403 10.941 16.762 1.00 0.00 N ATOM 363 CA GLY A 360 20.444 11.939 16.544 1.00 0.00 C ATOM 364 C GLY A 360 20.347 12.531 15.143 1.00 0.00 C ATOM 365 O GLY A 360 21.344 12.616 14.425 1.00 0.00 O ATOM 0 H GLY A 360 19.218 10.337 15.961 1.00 0.00 H new ATOM 0 HA2 GLY A 360 20.353 12.733 17.285 1.00 0.00 H new ATOM 0 HA3 GLY A 360 21.424 11.484 16.683 1.00 0.00 H new ATOM 369 N VAL A 361 19.143 12.939 14.760 1.00 0.00 N ATOM 370 CA VAL A 361 18.930 13.522 13.442 1.00 0.00 C ATOM 371 C VAL A 361 17.563 14.195 13.366 1.00 0.00 C ATOM 372 O VAL A 361 17.101 14.566 12.287 1.00 0.00 O ATOM 373 CB VAL A 361 19.032 12.435 12.370 1.00 0.00 C ATOM 374 CG1 VAL A 361 17.683 11.726 12.231 1.00 0.00 C ATOM 375 CG2 VAL A 361 19.412 13.073 11.033 1.00 0.00 C ATOM 0 H VAL A 361 18.305 12.878 15.339 1.00 0.00 H new ATOM 0 HA VAL A 361 19.699 14.275 13.268 1.00 0.00 H new ATOM 0 HB VAL A 361 19.794 11.711 12.658 1.00 0.00 H new ATOM 0 HG11 VAL A 361 17.756 10.952 11.467 1.00 0.00 H new ATOM 0 HG12 VAL A 361 17.411 11.272 13.184 1.00 0.00 H new ATOM 0 HG13 VAL A 361 16.920 12.449 11.943 1.00 0.00 H new ATOM 0 HG21 VAL A 361 19.485 12.300 10.268 1.00 0.00 H new ATOM 0 HG22 VAL A 361 18.649 13.797 10.745 1.00 0.00 H new ATOM 0 HG23 VAL A 361 20.373 13.578 11.131 1.00 0.00 H new ATOM 385 N VAL A 362 16.921 14.351 14.520 1.00 0.00 N ATOM 386 CA VAL A 362 15.609 14.983 14.573 1.00 0.00 C ATOM 387 C VAL A 362 15.684 16.412 14.050 1.00 0.00 C ATOM 388 O VAL A 362 14.663 17.076 13.870 1.00 0.00 O ATOM 389 CB VAL A 362 15.090 14.982 16.014 1.00 0.00 C ATOM 390 CG1 VAL A 362 13.914 15.951 16.143 1.00 0.00 C ATOM 391 CG2 VAL A 362 14.628 13.572 16.385 1.00 0.00 C ATOM 0 H VAL A 362 17.285 14.051 15.424 1.00 0.00 H new ATOM 0 HA VAL A 362 14.923 14.417 13.943 1.00 0.00 H new ATOM 0 HB VAL A 362 15.890 15.296 16.685 1.00 0.00 H new ATOM 0 HG11 VAL A 362 13.549 15.946 17.170 1.00 0.00 H new ATOM 0 HG12 VAL A 362 14.241 16.957 15.879 1.00 0.00 H new ATOM 0 HG13 VAL A 362 13.113 15.642 15.472 1.00 0.00 H new ATOM 0 HG21 VAL A 362 14.258 13.568 17.410 1.00 0.00 H new ATOM 0 HG22 VAL A 362 13.830 13.261 15.710 1.00 0.00 H new ATOM 0 HG23 VAL A 362 15.466 12.880 16.299 1.00 0.00 H new ATOM 401 N MET A 363 16.900 16.873 13.804 1.00 0.00 N ATOM 402 CA MET A 363 17.112 18.221 13.297 1.00 0.00 C ATOM 403 C MET A 363 16.328 18.445 12.009 1.00 0.00 C ATOM 404 O MET A 363 15.097 18.475 12.015 1.00 0.00 O ATOM 405 CB MET A 363 18.598 18.430 13.029 1.00 0.00 C ATOM 406 CG MET A 363 19.368 18.329 14.346 1.00 0.00 C ATOM 407 SD MET A 363 20.161 19.916 14.706 1.00 0.00 S ATOM 408 CE MET A 363 18.793 20.647 15.638 1.00 0.00 C ATOM 0 H MET A 363 17.755 16.335 13.947 1.00 0.00 H new ATOM 0 HA MET A 363 16.762 18.934 14.044 1.00 0.00 H new ATOM 0 HB2 MET A 363 18.961 17.682 12.324 1.00 0.00 H new ATOM 0 HB3 MET A 363 18.763 19.406 12.572 1.00 0.00 H new ATOM 0 HG2 MET A 363 18.691 18.057 15.156 1.00 0.00 H new ATOM 0 HG3 MET A 363 20.119 17.542 14.281 1.00 0.00 H new ATOM 0 HE1 MET A 363 19.083 21.635 15.995 1.00 0.00 H new ATOM 0 HE2 MET A 363 17.919 20.736 14.992 1.00 0.00 H new ATOM 0 HE3 MET A 363 18.552 20.010 16.489 1.00 0.00 H new ATOM 418 N ARG A 364 17.052 18.603 10.906 1.00 0.00 N ATOM 419 CA ARG A 364 16.416 18.825 9.614 1.00 0.00 C ATOM 420 C ARG A 364 17.281 18.267 8.488 1.00 0.00 C ATOM 421 O ARG A 364 17.966 19.012 7.788 1.00 0.00 O ATOM 422 CB ARG A 364 16.186 20.318 9.389 1.00 0.00 C ATOM 423 CG ARG A 364 15.158 20.835 10.398 1.00 0.00 C ATOM 424 CD ARG A 364 14.708 22.236 9.994 1.00 0.00 C ATOM 425 NE ARG A 364 14.881 23.158 11.107 1.00 0.00 N ATOM 426 CZ ARG A 364 16.039 23.776 11.318 1.00 0.00 C ATOM 427 NH1 ARG A 364 17.050 23.557 10.522 1.00 0.00 N ATOM 428 NH2 ARG A 364 16.165 24.601 12.321 1.00 0.00 N ATOM 0 H ARG A 364 18.071 18.582 10.881 1.00 0.00 H new ATOM 0 HA ARG A 364 15.456 18.308 9.613 1.00 0.00 H new ATOM 0 HB2 ARG A 364 17.124 20.862 9.499 1.00 0.00 H new ATOM 0 HB3 ARG A 364 15.833 20.493 8.373 1.00 0.00 H new ATOM 0 HG2 ARG A 364 14.301 20.163 10.436 1.00 0.00 H new ATOM 0 HG3 ARG A 364 15.592 20.855 11.398 1.00 0.00 H new ATOM 0 HD2 ARG A 364 15.285 22.578 9.135 1.00 0.00 H new ATOM 0 HD3 ARG A 364 13.662 22.216 9.687 1.00 0.00 H new ATOM 0 HE ARG A 364 14.098 23.333 11.737 1.00 0.00 H new ATOM 0 HH11 ARG A 364 16.952 22.912 9.738 1.00 0.00 H new ATOM 0 HH12 ARG A 364 17.939 24.031 10.684 1.00 0.00 H new ATOM 0 HH21 ARG A 364 15.375 24.772 12.943 1.00 0.00 H new ATOM 0 HH22 ARG A 364 17.053 25.075 12.483 1.00 0.00 H new ATOM 442 N PRO A 365 17.259 16.975 8.309 1.00 0.00 N ATOM 443 CA PRO A 365 18.049 16.287 7.256 1.00 0.00 C ATOM 444 C PRO A 365 17.339 16.293 5.905 1.00 0.00 C ATOM 445 O PRO A 365 17.959 16.530 4.869 1.00 0.00 O ATOM 446 CB PRO A 365 18.183 14.866 7.800 1.00 0.00 C ATOM 447 CG PRO A 365 16.977 14.647 8.660 1.00 0.00 C ATOM 448 CD PRO A 365 16.470 16.023 9.101 1.00 0.00 C ATOM 0 HA PRO A 365 19.006 16.774 7.067 1.00 0.00 H new ATOM 0 HB2 PRO A 365 18.223 14.138 6.989 1.00 0.00 H new ATOM 0 HB3 PRO A 365 19.101 14.752 8.376 1.00 0.00 H new ATOM 0 HG2 PRO A 365 16.204 14.113 8.108 1.00 0.00 H new ATOM 0 HG3 PRO A 365 17.230 14.036 9.526 1.00 0.00 H new ATOM 0 HD2 PRO A 365 15.403 16.134 8.908 1.00 0.00 H new ATOM 0 HD3 PRO A 365 16.618 16.177 10.170 1.00 0.00 H new ATOM 456 N LYS A 366 16.036 16.031 5.926 1.00 0.00 N ATOM 457 CA LYS A 366 15.252 16.008 4.697 1.00 0.00 C ATOM 458 C LYS A 366 15.847 15.019 3.701 1.00 0.00 C ATOM 459 O LYS A 366 16.041 15.343 2.529 1.00 0.00 O ATOM 460 CB LYS A 366 15.216 17.405 4.073 1.00 0.00 C ATOM 461 CG LYS A 366 14.822 18.431 5.138 1.00 0.00 C ATOM 462 CD LYS A 366 14.804 19.829 4.519 1.00 0.00 C ATOM 463 CE LYS A 366 16.054 20.596 4.951 1.00 0.00 C ATOM 464 NZ LYS A 366 17.259 19.748 4.728 1.00 0.00 N ATOM 0 H LYS A 366 15.504 15.833 6.774 1.00 0.00 H new ATOM 0 HA LYS A 366 14.237 15.694 4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 366 16.192 17.654 3.657 1.00 0.00 H new ATOM 0 HB3 LYS A 366 14.503 17.428 3.249 1.00 0.00 H new ATOM 0 HG2 LYS A 366 13.840 18.189 5.545 1.00 0.00 H new ATOM 0 HG3 LYS A 366 15.528 18.398 5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 366 14.767 19.756 3.432 1.00 0.00 H new ATOM 0 HD3 LYS A 366 13.909 20.366 4.833 1.00 0.00 H new ATOM 0 HE2 LYS A 366 16.139 21.523 4.384 1.00 0.00 H new ATOM 0 HE3 LYS A 366 15.979 20.871 6.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 366 18.114 20.336 4.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 366 17.297 19.002 5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 366 17.208 19.314 3.784 1.00 0.00 H new ATOM 478 N LYS A 367 16.137 13.811 4.175 1.00 0.00 N ATOM 479 CA LYS A 367 16.712 12.782 3.316 1.00 0.00 C ATOM 480 C LYS A 367 17.844 13.359 2.473 1.00 0.00 C ATOM 481 O LYS A 367 17.644 13.703 1.309 1.00 0.00 O ATOM 482 CB LYS A 367 15.633 12.205 2.399 1.00 0.00 C ATOM 483 CG LYS A 367 14.471 11.680 3.244 1.00 0.00 C ATOM 484 CD LYS A 367 13.806 10.504 2.525 1.00 0.00 C ATOM 485 CE LYS A 367 12.566 10.063 3.304 1.00 0.00 C ATOM 486 NZ LYS A 367 11.437 10.989 3.006 1.00 0.00 N ATOM 0 H LYS A 367 15.985 13.522 5.141 1.00 0.00 H new ATOM 0 HA LYS A 367 17.113 11.990 3.948 1.00 0.00 H new ATOM 0 HB2 LYS A 367 15.278 12.972 1.710 1.00 0.00 H new ATOM 0 HB3 LYS A 367 16.048 11.400 1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 367 14.833 11.364 4.222 1.00 0.00 H new ATOM 0 HG3 LYS A 367 13.744 12.474 3.414 1.00 0.00 H new ATOM 0 HD2 LYS A 367 13.528 10.794 1.512 1.00 0.00 H new ATOM 0 HD3 LYS A 367 14.507 9.674 2.437 1.00 0.00 H new ATOM 0 HE2 LYS A 367 12.296 9.043 3.031 1.00 0.00 H new ATOM 0 HE3 LYS A 367 12.777 10.062 4.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 367 10.562 10.615 3.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 367 11.641 11.926 3.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 367 11.319 11.073 1.976 1.00 0.00 H new HETATM 500 N NH2 A 368 19.033 13.487 2.997 1.00 0.00 N TER 503 NH2 A 368