USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 437 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 NoAdj-H: A 319 HIS HD1 : A 319 HIS ND1 : A 501 ZNZN :(H bumps) USER MOD Single : A 297 SER OG : rot 180:sc= -0.084 USER MOD Single : A 299 LYS NZ :NH3+ 158:sc= -0.15 (180deg=-1.24) USER MOD Single : A 300 SER OG : rot -170:sc= 0 USER MOD Single : A 307 SER OG : rot 180:sc= -0.0106 USER MOD Single : A 308 SER OG : rot 141:sc= 0.669 USER MOD Single : A 310 LYS NZ :NH3+ -158:sc= 0.00118 (180deg=-0.614) USER MOD Single : A 311 SER OG : rot 98:sc= 0.706 USER MOD Single : A 312 CYS SG : rot 9:sc= 0.234 USER MOD Single : A 321 CYS SG : rot 67:sc= -0.529 USER MOD Single : A 322 SER OG : rot 180:sc= 0.171 USER MOD Single : A 324 THR OG1 : rot 86:sc= 0.656 USER MOD Single : A 327 TYR OH : rot 180:sc= 0 USER MOD Single : A 334 LYS NZ :NH3+ -178:sc= 1 (180deg=0.996) USER MOD Single : A 335 LYS NZ :NH3+ 137:sc= 0.642 (180deg=-1.18) USER MOD Single : A 341 GLN : amide:sc= -1.35 K(o=-1.4,f=-6.9!) USER MOD Single : A 344 THR OG1 : rot 180:sc= 0 USER MOD Single : A 350 TYR OH : rot 180:sc= 0 USER MOD Single : A 351 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.045) USER MOD Single : A 352 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 296 9.904 11.310 -10.337 1.00 13.00 N ATOM 2 CA GLY A 296 8.655 11.972 -10.813 1.00 45.03 C ATOM 3 C GLY A 296 9.007 13.004 -11.831 1.00 73.23 C ATOM 4 O GLY A 296 8.554 14.146 -11.778 1.00 42.04 O ATOM 0 HA2 GLY A 296 7.979 11.234 -11.244 1.00 45.03 H new ATOM 0 HA3 GLY A 296 8.131 12.433 -9.976 1.00 45.03 H new ATOM 10 N SER A 297 9.876 12.627 -12.762 1.00 4.31 N ATOM 11 CA SER A 297 10.319 13.514 -13.800 1.00 51.25 C ATOM 12 C SER A 297 10.749 12.590 -14.890 1.00 12.22 C ATOM 13 O SER A 297 10.197 11.500 -15.007 1.00 23.54 O ATOM 14 CB SER A 297 11.517 14.410 -13.366 1.00 64.21 C ATOM 15 OG SER A 297 11.294 14.938 -12.058 1.00 32.31 O ATOM 0 H SER A 297 10.286 11.694 -12.807 1.00 4.31 H new ATOM 0 HA SER A 297 9.531 14.211 -14.086 1.00 51.25 H new ATOM 0 HB2 SER A 297 12.438 13.828 -13.378 1.00 64.21 H new ATOM 0 HB3 SER A 297 11.646 15.226 -14.077 1.00 64.21 H new ATOM 0 HG SER A 297 12.055 15.498 -11.797 1.00 32.31 H new ATOM 21 N LEU A 298 11.754 12.968 -15.693 1.00 35.12 N ATOM 22 CA LEU A 298 12.232 12.090 -16.723 1.00 5.41 C ATOM 23 C LEU A 298 13.628 12.522 -17.000 1.00 43.22 C ATOM 24 O LEU A 298 13.883 13.703 -17.208 1.00 4.21 O ATOM 25 CB LEU A 298 11.418 12.131 -18.058 1.00 35.24 C ATOM 26 CG LEU A 298 10.746 13.495 -18.375 1.00 1.43 C ATOM 27 CD1 LEU A 298 11.096 14.009 -19.776 1.00 72.15 C ATOM 28 CD2 LEU A 298 9.224 13.468 -18.140 1.00 74.34 C ATOM 0 H LEU A 298 12.233 13.866 -15.636 1.00 35.12 H new ATOM 0 HA LEU A 298 12.138 11.064 -16.367 1.00 5.41 H new ATOM 0 HB2 LEU A 298 12.084 11.871 -18.881 1.00 35.24 H new ATOM 0 HB3 LEU A 298 10.646 11.363 -18.019 1.00 35.24 H new ATOM 0 HG LEU A 298 11.163 14.209 -17.665 1.00 1.43 H new ATOM 0 HD11 LEU A 298 10.601 14.965 -19.947 1.00 72.15 H new ATOM 0 HD12 LEU A 298 12.175 14.140 -19.857 1.00 72.15 H new ATOM 0 HD13 LEU A 298 10.761 13.288 -20.522 1.00 72.15 H new ATOM 0 HD21 LEU A 298 8.802 14.445 -18.376 1.00 74.34 H new ATOM 0 HD22 LEU A 298 8.770 12.712 -18.781 1.00 74.34 H new ATOM 0 HD23 LEU A 298 9.021 13.228 -17.096 1.00 74.34 H new ATOM 40 N LYS A 299 14.576 11.546 -16.977 1.00 1.14 N ATOM 41 CA LYS A 299 16.004 11.800 -17.195 1.00 73.23 C ATOM 42 C LYS A 299 16.494 12.791 -16.178 1.00 2.00 C ATOM 43 O LYS A 299 16.878 13.920 -16.498 1.00 0.43 O ATOM 44 CB LYS A 299 16.388 12.271 -18.619 1.00 45.11 C ATOM 45 CG LYS A 299 16.108 11.213 -19.699 1.00 52.34 C ATOM 46 CD LYS A 299 17.030 9.978 -19.622 1.00 21.21 C ATOM 47 CE LYS A 299 16.291 8.656 -19.869 1.00 23.50 C ATOM 48 NZ LYS A 299 15.513 8.734 -21.128 1.00 54.31 N ATOM 0 H LYS A 299 14.359 10.564 -16.806 1.00 1.14 H new ATOM 0 HA LYS A 299 16.493 10.832 -17.080 1.00 73.23 H new ATOM 0 HB2 LYS A 299 15.835 13.180 -18.856 1.00 45.11 H new ATOM 0 HB3 LYS A 299 17.447 12.529 -18.637 1.00 45.11 H new ATOM 0 HG2 LYS A 299 15.072 10.886 -19.613 1.00 52.34 H new ATOM 0 HG3 LYS A 299 16.216 11.674 -20.681 1.00 52.34 H new ATOM 0 HD2 LYS A 299 17.829 10.083 -20.356 1.00 21.21 H new ATOM 0 HD3 LYS A 299 17.502 9.945 -18.640 1.00 21.21 H new ATOM 0 HE2 LYS A 299 17.006 7.836 -19.925 1.00 23.50 H new ATOM 0 HE3 LYS A 299 15.625 8.441 -19.034 1.00 23.50 H new ATOM 0 HZ1 LYS A 299 15.329 7.774 -21.482 1.00 54.31 H new ATOM 0 HZ2 LYS A 299 14.609 9.216 -20.948 1.00 54.31 H new ATOM 0 HZ3 LYS A 299 16.054 9.267 -21.838 1.00 54.31 H new ATOM 62 N SER A 300 16.460 12.383 -14.925 1.00 3.12 N ATOM 63 CA SER A 300 16.922 13.194 -13.854 1.00 12.04 C ATOM 64 C SER A 300 17.489 12.210 -12.890 1.00 55.23 C ATOM 65 O SER A 300 17.689 11.053 -13.253 1.00 3.53 O ATOM 66 CB SER A 300 15.802 14.034 -13.181 1.00 32.21 C ATOM 67 OG SER A 300 14.876 14.508 -14.173 1.00 2.40 O ATOM 0 H SER A 300 16.106 11.471 -14.636 1.00 3.12 H new ATOM 0 HA SER A 300 17.638 13.937 -14.205 1.00 12.04 H new ATOM 0 HB2 SER A 300 15.277 13.429 -12.442 1.00 32.21 H new ATOM 0 HB3 SER A 300 16.240 14.878 -12.648 1.00 32.21 H new ATOM 0 HG SER A 300 14.268 15.161 -13.768 1.00 2.40 H new ATOM 73 N ALA A 301 17.736 12.615 -11.639 1.00 41.01 N ATOM 74 CA ALA A 301 18.362 11.725 -10.680 1.00 13.55 C ATOM 75 C ALA A 301 17.428 10.582 -10.362 1.00 40.31 C ATOM 76 O ALA A 301 16.253 10.789 -10.055 1.00 4.35 O ATOM 77 CB ALA A 301 18.731 12.414 -9.348 1.00 62.14 C ATOM 0 H ALA A 301 17.512 13.543 -11.279 1.00 41.01 H new ATOM 0 HA ALA A 301 19.284 11.381 -11.148 1.00 13.55 H new ATOM 0 HB1 ALA A 301 19.195 11.689 -8.679 1.00 62.14 H new ATOM 0 HB2 ALA A 301 19.430 13.228 -9.541 1.00 62.14 H new ATOM 0 HB3 ALA A 301 17.829 12.812 -8.882 1.00 62.14 H new ATOM 83 N CYS A 302 17.956 9.317 -10.474 1.00 65.22 N ATOM 84 CA CYS A 302 17.237 8.092 -10.064 1.00 52.23 C ATOM 85 C CYS A 302 16.829 8.342 -8.641 1.00 22.22 C ATOM 86 O CYS A 302 17.686 8.408 -7.796 1.00 13.50 O ATOM 87 CB CYS A 302 18.192 6.833 -10.120 1.00 40.05 C ATOM 88 SG CYS A 302 17.474 5.223 -9.561 1.00 41.41 S ATOM 0 H CYS A 302 18.887 9.136 -10.850 1.00 65.22 H new ATOM 0 HA CYS A 302 16.391 7.886 -10.720 1.00 52.23 H new ATOM 0 HB2 CYS A 302 18.538 6.713 -11.147 1.00 40.05 H new ATOM 0 HB3 CYS A 302 19.070 7.044 -9.510 1.00 40.05 H new ATOM 93 N VAL A 303 15.500 8.326 -8.357 1.00 60.23 N ATOM 94 CA VAL A 303 14.967 8.855 -7.088 1.00 1.53 C ATOM 95 C VAL A 303 15.389 7.995 -5.927 1.00 55.21 C ATOM 96 O VAL A 303 15.333 8.415 -4.789 1.00 64.33 O ATOM 97 CB VAL A 303 13.448 8.961 -7.070 1.00 31.35 C ATOM 98 CG1 VAL A 303 12.989 9.782 -8.282 1.00 0.51 C ATOM 99 CG2 VAL A 303 12.813 7.554 -7.061 1.00 21.51 C ATOM 0 H VAL A 303 14.790 7.955 -8.988 1.00 60.23 H new ATOM 0 HA VAL A 303 15.382 9.859 -6.998 1.00 1.53 H new ATOM 0 HB VAL A 303 13.121 9.469 -6.163 1.00 31.35 H new ATOM 0 HG11 VAL A 303 11.902 9.863 -8.276 1.00 0.51 H new ATOM 0 HG12 VAL A 303 13.427 10.779 -8.233 1.00 0.51 H new ATOM 0 HG13 VAL A 303 13.311 9.289 -9.199 1.00 0.51 H new ATOM 0 HG21 VAL A 303 11.727 7.645 -7.048 1.00 21.51 H new ATOM 0 HG22 VAL A 303 13.121 7.010 -7.954 1.00 21.51 H new ATOM 0 HG23 VAL A 303 13.142 7.012 -6.174 1.00 21.51 H new ATOM 109 N VAL A 304 15.820 6.771 -6.214 1.00 52.44 N ATOM 110 CA VAL A 304 16.169 5.862 -5.171 1.00 52.14 C ATOM 111 C VAL A 304 17.636 6.043 -4.820 1.00 61.13 C ATOM 112 O VAL A 304 17.973 6.228 -3.666 1.00 1.01 O ATOM 113 CB VAL A 304 15.905 4.399 -5.549 1.00 44.11 C ATOM 114 CG1 VAL A 304 15.255 3.704 -4.349 1.00 12.12 C ATOM 115 CG2 VAL A 304 14.982 4.346 -6.792 1.00 53.52 C ATOM 0 H VAL A 304 15.930 6.404 -7.159 1.00 52.44 H new ATOM 0 HA VAL A 304 15.537 6.089 -4.312 1.00 52.14 H new ATOM 0 HB VAL A 304 16.835 3.888 -5.799 1.00 44.11 H new ATOM 0 HG11 VAL A 304 15.058 2.661 -4.596 1.00 12.12 H new ATOM 0 HG12 VAL A 304 15.927 3.754 -3.492 1.00 12.12 H new ATOM 0 HG13 VAL A 304 14.317 4.202 -4.104 1.00 12.12 H new ATOM 0 HG21 VAL A 304 14.794 3.307 -7.061 1.00 53.52 H new ATOM 0 HG22 VAL A 304 14.037 4.839 -6.565 1.00 53.52 H new ATOM 0 HG23 VAL A 304 15.465 4.855 -7.626 1.00 53.52 H new ATOM 125 N CYS A 305 18.550 6.034 -5.828 1.00 63.32 N ATOM 126 CA CYS A 305 19.979 6.071 -5.495 1.00 41.05 C ATOM 127 C CYS A 305 20.471 7.510 -5.444 1.00 43.21 C ATOM 128 O CYS A 305 21.177 7.879 -4.525 1.00 62.24 O ATOM 129 CB CYS A 305 20.900 5.188 -6.412 1.00 12.01 C ATOM 130 SG CYS A 305 20.813 5.574 -8.200 1.00 4.10 S ATOM 0 H CYS A 305 18.329 6.003 -6.823 1.00 63.32 H new ATOM 0 HA CYS A 305 20.060 5.616 -4.508 1.00 41.05 H new ATOM 0 HB2 CYS A 305 21.932 5.302 -6.081 1.00 12.01 H new ATOM 0 HB3 CYS A 305 20.633 4.141 -6.269 1.00 12.01 H new ATOM 135 N LEU A 306 20.129 8.315 -6.501 1.00 53.52 N ATOM 136 CA LEU A 306 20.436 9.763 -6.596 1.00 3.23 C ATOM 137 C LEU A 306 21.797 9.934 -7.222 1.00 5.21 C ATOM 138 O LEU A 306 22.264 11.048 -7.420 1.00 41.44 O ATOM 139 CB LEU A 306 20.372 10.609 -5.266 1.00 40.53 C ATOM 140 CG LEU A 306 18.941 10.828 -4.692 1.00 54.35 C ATOM 141 CD1 LEU A 306 17.923 11.275 -5.746 1.00 61.24 C ATOM 142 CD2 LEU A 306 18.428 9.643 -3.858 1.00 13.34 C ATOM 0 H LEU A 306 19.627 7.962 -7.315 1.00 53.52 H new ATOM 0 HA LEU A 306 19.626 10.167 -7.204 1.00 3.23 H new ATOM 0 HB2 LEU A 306 20.979 10.113 -4.508 1.00 40.53 H new ATOM 0 HB3 LEU A 306 20.826 11.583 -5.451 1.00 40.53 H new ATOM 0 HG LEU A 306 19.048 11.663 -3.999 1.00 54.35 H new ATOM 0 HD11 LEU A 306 16.948 11.409 -5.277 1.00 61.24 H new ATOM 0 HD12 LEU A 306 18.246 12.218 -6.187 1.00 61.24 H new ATOM 0 HD13 LEU A 306 17.850 10.517 -6.526 1.00 61.24 H new ATOM 0 HD21 LEU A 306 17.426 9.864 -3.490 1.00 13.34 H new ATOM 0 HD22 LEU A 306 18.397 8.748 -4.479 1.00 13.34 H new ATOM 0 HD23 LEU A 306 19.096 9.476 -3.013 1.00 13.34 H new ATOM 154 N SER A 307 22.436 8.822 -7.592 1.00 32.34 N ATOM 155 CA SER A 307 23.761 8.866 -8.160 1.00 55.11 C ATOM 156 C SER A 307 23.625 8.744 -9.657 1.00 41.01 C ATOM 157 O SER A 307 24.174 9.533 -10.406 1.00 35.33 O ATOM 158 CB SER A 307 24.631 7.685 -7.657 1.00 0.31 C ATOM 159 OG SER A 307 23.802 6.708 -6.990 1.00 34.14 O ATOM 0 H SER A 307 22.046 7.884 -7.503 1.00 32.34 H new ATOM 0 HA SER A 307 24.240 9.800 -7.866 1.00 55.11 H new ATOM 0 HB2 SER A 307 25.149 7.222 -8.496 1.00 0.31 H new ATOM 0 HB3 SER A 307 25.396 8.052 -6.973 1.00 0.31 H new ATOM 0 HG SER A 307 24.359 5.965 -6.677 1.00 34.14 H new ATOM 165 N SER A 308 22.867 7.734 -10.117 1.00 61.13 N ATOM 166 CA SER A 308 22.713 7.512 -11.537 1.00 35.51 C ATOM 167 C SER A 308 21.425 8.151 -11.935 1.00 24.53 C ATOM 168 O SER A 308 20.536 8.353 -11.080 1.00 72.34 O ATOM 169 CB SER A 308 22.648 6.016 -11.925 1.00 4.12 C ATOM 170 OG SER A 308 21.946 5.243 -10.928 1.00 60.11 O ATOM 0 H SER A 308 22.364 7.075 -9.523 1.00 61.13 H new ATOM 0 HA SER A 308 23.583 7.931 -12.043 1.00 35.51 H new ATOM 0 HB2 SER A 308 22.149 5.910 -12.888 1.00 4.12 H new ATOM 0 HB3 SER A 308 23.659 5.626 -12.045 1.00 4.12 H new ATOM 0 HG SER A 308 21.390 4.568 -11.370 1.00 60.11 H new ATOM 176 N PHE A 309 21.260 8.429 -13.243 1.00 52.35 N ATOM 177 CA PHE A 309 20.027 8.999 -13.749 1.00 15.31 C ATOM 178 C PHE A 309 18.998 7.905 -13.764 1.00 53.04 C ATOM 179 O PHE A 309 19.307 6.711 -13.591 1.00 11.05 O ATOM 180 CB PHE A 309 20.141 9.548 -15.216 1.00 5.01 C ATOM 181 CG PHE A 309 20.400 11.030 -15.342 1.00 44.54 C ATOM 182 CD1 PHE A 309 19.972 11.714 -16.466 1.00 3.12 C ATOM 183 CD2 PHE A 309 21.067 11.738 -14.354 1.00 33.21 C ATOM 184 CE1 PHE A 309 20.202 13.058 -16.597 1.00 54.11 C ATOM 185 CE2 PHE A 309 21.291 13.082 -14.498 1.00 40.42 C ATOM 186 CZ PHE A 309 20.860 13.739 -15.616 1.00 60.35 C ATOM 0 H PHE A 309 21.971 8.263 -13.955 1.00 52.35 H new ATOM 0 HA PHE A 309 19.768 9.838 -13.103 1.00 15.31 H new ATOM 0 HB2 PHE A 309 20.944 9.013 -15.723 1.00 5.01 H new ATOM 0 HB3 PHE A 309 19.217 9.313 -15.745 1.00 5.01 H new ATOM 0 HD1 PHE A 309 19.451 11.182 -17.249 1.00 3.12 H new ATOM 0 HD2 PHE A 309 21.412 11.228 -13.467 1.00 33.21 H new ATOM 0 HE1 PHE A 309 19.861 13.579 -17.479 1.00 54.11 H new ATOM 0 HE2 PHE A 309 21.811 13.625 -13.723 1.00 40.42 H new ATOM 0 HZ PHE A 309 21.041 14.798 -15.723 1.00 60.35 H new ATOM 196 N LYS A 310 17.732 8.307 -13.871 1.00 32.30 N ATOM 197 CA LYS A 310 16.649 7.377 -13.990 1.00 34.31 C ATOM 198 C LYS A 310 16.454 7.130 -15.444 1.00 32.34 C ATOM 199 O LYS A 310 16.481 8.051 -16.252 1.00 3.50 O ATOM 200 CB LYS A 310 15.314 7.896 -13.421 1.00 2.30 C ATOM 201 CG LYS A 310 15.148 9.408 -13.533 1.00 31.25 C ATOM 202 CD LYS A 310 13.706 9.831 -13.737 1.00 21.25 C ATOM 203 CE LYS A 310 13.325 11.113 -13.004 1.00 52.41 C ATOM 204 NZ LYS A 310 13.596 11.006 -11.550 1.00 3.02 N ATOM 0 H LYS A 310 17.446 9.286 -13.876 1.00 32.30 H new ATOM 0 HA LYS A 310 16.911 6.486 -13.419 1.00 34.31 H new ATOM 0 HB2 LYS A 310 14.492 7.409 -13.945 1.00 2.30 H new ATOM 0 HB3 LYS A 310 15.239 7.608 -12.373 1.00 2.30 H new ATOM 0 HG2 LYS A 310 15.535 9.879 -12.629 1.00 31.25 H new ATOM 0 HG3 LYS A 310 15.750 9.774 -14.365 1.00 31.25 H new ATOM 0 HD2 LYS A 310 13.526 9.967 -14.803 1.00 21.25 H new ATOM 0 HD3 LYS A 310 13.051 9.026 -13.403 1.00 21.25 H new ATOM 0 HE2 LYS A 310 13.885 11.951 -13.419 1.00 52.41 H new ATOM 0 HE3 LYS A 310 12.268 11.325 -13.164 1.00 52.41 H new ATOM 0 HZ1 LYS A 310 13.012 11.696 -11.036 1.00 3.02 H new ATOM 0 HZ2 LYS A 310 13.365 10.046 -11.224 1.00 3.02 H new ATOM 0 HZ3 LYS A 310 14.601 11.201 -11.369 1.00 3.02 H new ATOM 218 N SER A 311 16.266 5.872 -15.794 1.00 11.14 N ATOM 219 CA SER A 311 16.079 5.493 -17.149 1.00 22.54 C ATOM 220 C SER A 311 15.167 4.300 -17.136 1.00 32.23 C ATOM 221 O SER A 311 15.369 3.351 -17.866 1.00 4.30 O ATOM 222 CB SER A 311 17.391 5.117 -17.872 1.00 2.43 C ATOM 223 OG SER A 311 18.405 6.093 -17.612 1.00 54.22 O ATOM 0 H SER A 311 16.241 5.096 -15.133 1.00 11.14 H new ATOM 0 HA SER A 311 15.667 6.342 -17.694 1.00 22.54 H new ATOM 0 HB2 SER A 311 17.729 4.136 -17.538 1.00 2.43 H new ATOM 0 HB3 SER A 311 17.214 5.045 -18.945 1.00 2.43 H new ATOM 0 HG SER A 311 18.988 5.775 -16.891 1.00 54.22 H new ATOM 229 N CYS A 312 14.186 4.295 -16.227 1.00 60.44 N ATOM 230 CA CYS A 312 13.254 3.197 -16.185 1.00 23.43 C ATOM 231 C CYS A 312 11.932 3.765 -15.840 1.00 41.45 C ATOM 232 O CYS A 312 11.767 4.451 -14.799 1.00 72.14 O ATOM 233 CB CYS A 312 13.582 2.119 -15.121 1.00 35.42 C ATOM 234 SG CYS A 312 15.058 1.146 -15.542 1.00 32.40 S ATOM 0 H CYS A 312 14.030 5.026 -15.533 1.00 60.44 H new ATOM 0 HA CYS A 312 13.292 2.705 -17.157 1.00 23.43 H new ATOM 0 HB2 CYS A 312 13.733 2.601 -14.155 1.00 35.42 H new ATOM 0 HB3 CYS A 312 12.729 1.449 -15.013 1.00 35.42 H new ATOM 0 HG CYS A 312 15.650 1.678 -16.570 1.00 32.40 H new ATOM 240 N VAL A 313 10.960 3.499 -16.734 1.00 23.14 N ATOM 241 CA VAL A 313 9.614 3.905 -16.555 1.00 42.01 C ATOM 242 C VAL A 313 8.946 2.702 -15.984 1.00 22.21 C ATOM 243 O VAL A 313 9.098 1.598 -16.496 1.00 72.23 O ATOM 244 CB VAL A 313 8.917 4.261 -17.861 1.00 21.50 C ATOM 245 CG1 VAL A 313 7.591 4.978 -17.554 1.00 43.32 C ATOM 246 CG2 VAL A 313 9.864 5.121 -18.718 1.00 23.42 C ATOM 0 H VAL A 313 11.123 2.988 -17.601 1.00 23.14 H new ATOM 0 HA VAL A 313 9.569 4.798 -15.931 1.00 42.01 H new ATOM 0 HB VAL A 313 8.677 3.363 -18.430 1.00 21.50 H new ATOM 0 HG11 VAL A 313 7.091 5.234 -18.488 1.00 43.32 H new ATOM 0 HG12 VAL A 313 6.950 4.321 -16.967 1.00 43.32 H new ATOM 0 HG13 VAL A 313 7.792 5.888 -16.989 1.00 43.32 H new ATOM 0 HG21 VAL A 313 9.372 5.380 -19.655 1.00 23.42 H new ATOM 0 HG22 VAL A 313 10.117 6.033 -18.177 1.00 23.42 H new ATOM 0 HG23 VAL A 313 10.774 4.560 -18.929 1.00 23.42 H new ATOM 256 N PHE A 314 8.223 2.875 -14.899 1.00 53.34 N ATOM 257 CA PHE A 314 7.551 1.770 -14.288 1.00 71.45 C ATOM 258 C PHE A 314 6.181 1.744 -14.855 1.00 24.23 C ATOM 259 O PHE A 314 5.396 2.724 -14.688 1.00 41.12 O ATOM 260 CB PHE A 314 7.470 1.881 -12.755 1.00 11.23 C ATOM 261 CG PHE A 314 8.790 1.634 -12.059 1.00 73.15 C ATOM 262 CD1 PHE A 314 9.160 2.387 -10.960 1.00 13.03 C ATOM 263 CD2 PHE A 314 9.657 0.638 -12.505 1.00 54.02 C ATOM 264 CE1 PHE A 314 10.357 2.148 -10.326 1.00 25.54 C ATOM 265 CE2 PHE A 314 10.845 0.413 -11.868 1.00 54.21 C ATOM 266 CZ PHE A 314 11.195 1.162 -10.782 1.00 0.53 C ATOM 0 H PHE A 314 8.091 3.771 -14.430 1.00 53.34 H new ATOM 0 HA PHE A 314 8.110 0.857 -14.494 1.00 71.45 H new ATOM 0 HB2 PHE A 314 7.109 2.875 -12.490 1.00 11.23 H new ATOM 0 HB3 PHE A 314 6.735 1.166 -12.386 1.00 11.23 H new ATOM 0 HD1 PHE A 314 8.506 3.166 -10.598 1.00 13.03 H new ATOM 0 HD2 PHE A 314 9.387 0.038 -13.362 1.00 54.02 H new ATOM 0 HE1 PHE A 314 10.638 2.738 -9.466 1.00 25.54 H new ATOM 0 HE2 PHE A 314 11.509 -0.360 -12.225 1.00 54.21 H new ATOM 0 HZ PHE A 314 12.134 0.978 -10.281 1.00 0.53 H new ATOM 276 N LEU A 315 5.823 0.612 -15.526 1.00 41.41 N ATOM 277 CA LEU A 315 4.540 0.528 -16.147 1.00 40.44 C ATOM 278 C LEU A 315 3.591 0.194 -15.065 1.00 63.54 C ATOM 279 O LEU A 315 3.549 -0.937 -14.552 1.00 3.15 O ATOM 280 CB LEU A 315 4.465 -0.615 -17.181 1.00 75.44 C ATOM 281 CG LEU A 315 3.459 -0.383 -18.320 1.00 13.32 C ATOM 282 CD1 LEU A 315 3.764 -1.269 -19.536 1.00 22.15 C ATOM 283 CD2 LEU A 315 2.001 -0.537 -17.850 1.00 54.14 C ATOM 0 H LEU A 315 6.411 -0.215 -15.630 1.00 41.41 H new ATOM 0 HA LEU A 315 4.326 1.465 -16.660 1.00 40.44 H new ATOM 0 HB2 LEU A 315 5.455 -0.762 -17.613 1.00 75.44 H new ATOM 0 HB3 LEU A 315 4.202 -1.538 -16.664 1.00 75.44 H new ATOM 0 HG LEU A 315 3.576 0.653 -18.638 1.00 13.32 H new ATOM 0 HD11 LEU A 315 3.031 -1.076 -20.320 1.00 22.15 H new ATOM 0 HD12 LEU A 315 4.763 -1.043 -19.909 1.00 22.15 H new ATOM 0 HD13 LEU A 315 3.715 -2.318 -19.243 1.00 22.15 H new ATOM 0 HD21 LEU A 315 1.328 -0.364 -18.690 1.00 54.14 H new ATOM 0 HD22 LEU A 315 1.848 -1.545 -17.464 1.00 54.14 H new ATOM 0 HD23 LEU A 315 1.794 0.188 -17.063 1.00 54.14 H new ATOM 295 N GLU A 316 2.964 1.212 -14.575 1.00 75.43 N ATOM 296 CA GLU A 316 1.856 1.114 -13.733 1.00 15.30 C ATOM 297 C GLU A 316 1.021 2.272 -14.140 1.00 13.31 C ATOM 298 O GLU A 316 -0.069 2.194 -14.683 1.00 42.02 O ATOM 299 CB GLU A 316 2.199 1.153 -12.229 1.00 32.43 C ATOM 300 CG GLU A 316 3.725 1.178 -11.956 1.00 3.53 C ATOM 301 CD GLU A 316 3.979 1.654 -10.558 1.00 41.11 C ATOM 302 OE1 GLU A 316 4.788 1.046 -9.868 1.00 20.13 O ATOM 303 OE2 GLU A 316 3.432 2.744 -10.185 1.00 71.34 O ATOM 0 H GLU A 316 3.238 2.175 -14.771 1.00 75.43 H new ATOM 0 HA GLU A 316 1.357 0.151 -13.840 1.00 15.30 H new ATOM 0 HB2 GLU A 316 1.741 2.034 -11.780 1.00 32.43 H new ATOM 0 HB3 GLU A 316 1.762 0.282 -11.740 1.00 32.43 H new ATOM 0 HG2 GLU A 316 4.145 0.182 -12.094 1.00 3.53 H new ATOM 0 HG3 GLU A 316 4.222 1.835 -12.670 1.00 3.53 H new ATOM 310 N CYS A 317 1.679 3.416 -13.857 1.00 53.42 N ATOM 311 CA CYS A 317 1.175 4.769 -13.945 1.00 43.05 C ATOM 312 C CYS A 317 2.000 5.510 -14.993 1.00 2.30 C ATOM 313 O CYS A 317 1.573 6.544 -15.493 1.00 52.42 O ATOM 314 CB CYS A 317 1.462 5.494 -12.593 1.00 31.35 C ATOM 315 SG CYS A 317 3.109 4.912 -12.003 1.00 24.30 S ATOM 0 H CYS A 317 2.648 3.397 -13.539 1.00 53.42 H new ATOM 0 HA CYS A 317 0.111 4.754 -14.183 1.00 43.05 H new ATOM 0 HB2 CYS A 317 1.462 6.576 -12.729 1.00 31.35 H new ATOM 0 HB3 CYS A 317 0.688 5.264 -11.861 1.00 31.35 H new ATOM 320 N GLY A 318 3.218 4.984 -15.370 1.00 52.45 N ATOM 321 CA GLY A 318 4.075 5.718 -16.296 1.00 33.10 C ATOM 322 C GLY A 318 5.024 6.619 -15.544 1.00 72.43 C ATOM 323 O GLY A 318 5.479 7.614 -16.087 1.00 4.22 O ATOM 0 H GLY A 318 3.591 4.091 -15.048 1.00 52.45 H new ATOM 0 HA2 GLY A 318 4.641 5.017 -16.910 1.00 33.10 H new ATOM 0 HA3 GLY A 318 3.462 6.312 -16.974 1.00 33.10 H new ATOM 327 N HIS A 319 5.354 6.304 -14.269 1.00 34.30 N ATOM 328 CA HIS A 319 6.302 7.156 -13.517 1.00 21.20 C ATOM 329 C HIS A 319 7.680 6.732 -13.953 1.00 62.21 C ATOM 330 O HIS A 319 7.958 5.535 -14.013 1.00 54.24 O ATOM 331 CB HIS A 319 6.223 6.976 -11.967 1.00 11.44 C ATOM 332 CG HIS A 319 5.506 8.097 -11.197 1.00 55.21 C ATOM 333 ND1 HIS A 319 4.583 7.778 -10.196 1.00 71.11 N ATOM 334 CD2 HIS A 319 5.642 9.443 -11.286 1.00 41.04 C ATOM 335 CE1 HIS A 319 4.189 8.924 -9.708 1.00 32.43 C ATOM 336 NE2 HIS A 319 4.801 9.967 -10.329 1.00 24.34 N ATOM 0 H HIS A 319 4.994 5.499 -13.757 1.00 34.30 H new ATOM 0 HA HIS A 319 6.062 8.199 -13.725 1.00 21.20 H new ATOM 0 HB2 HIS A 319 5.716 6.034 -11.755 1.00 11.44 H new ATOM 0 HB3 HIS A 319 7.238 6.886 -11.579 1.00 11.44 H new ATOM 0 HD2 HIS A 319 6.278 9.991 -11.966 1.00 41.04 H new ATOM 0 HE1 HIS A 319 3.468 9.030 -8.911 1.00 32.43 H new ATOM 0 HE2 HIS A 319 4.663 10.957 -10.124 1.00 24.34 H new ATOM 344 N VAL A 320 8.573 7.696 -14.178 1.00 23.20 N ATOM 345 CA VAL A 320 9.931 7.403 -14.577 1.00 11.20 C ATOM 346 C VAL A 320 10.693 7.763 -13.365 1.00 73.52 C ATOM 347 O VAL A 320 10.648 8.916 -12.947 1.00 5.12 O ATOM 348 CB VAL A 320 10.425 8.270 -15.737 1.00 73.32 C ATOM 349 CG1 VAL A 320 11.678 7.627 -16.362 1.00 52.12 C ATOM 350 CG2 VAL A 320 9.278 8.444 -16.758 1.00 42.11 C ATOM 0 H VAL A 320 8.368 8.691 -14.087 1.00 23.20 H new ATOM 0 HA VAL A 320 10.033 6.374 -14.921 1.00 11.20 H new ATOM 0 HB VAL A 320 10.712 9.261 -15.386 1.00 73.32 H new ATOM 0 HG11 VAL A 320 12.030 8.244 -17.188 1.00 52.12 H new ATOM 0 HG12 VAL A 320 12.461 7.549 -15.608 1.00 52.12 H new ATOM 0 HG13 VAL A 320 11.430 6.632 -16.732 1.00 52.12 H new ATOM 0 HG21 VAL A 320 9.621 9.061 -17.589 1.00 42.11 H new ATOM 0 HG22 VAL A 320 8.973 7.467 -17.133 1.00 42.11 H new ATOM 0 HG23 VAL A 320 8.430 8.927 -16.273 1.00 42.11 H new ATOM 360 N CYS A 321 11.360 6.793 -12.697 1.00 65.43 N ATOM 361 CA CYS A 321 11.996 7.183 -11.455 1.00 0.22 C ATOM 362 C CYS A 321 13.194 6.330 -11.120 1.00 51.53 C ATOM 363 O CYS A 321 14.005 6.727 -10.260 1.00 51.33 O ATOM 364 CB CYS A 321 11.014 7.147 -10.247 1.00 24.13 C ATOM 365 SG CYS A 321 9.595 6.017 -10.502 1.00 22.10 S ATOM 0 H CYS A 321 11.459 5.818 -12.980 1.00 65.43 H new ATOM 0 HA CYS A 321 12.325 8.208 -11.623 1.00 0.22 H new ATOM 0 HB2 CYS A 321 11.558 6.840 -9.354 1.00 24.13 H new ATOM 0 HB3 CYS A 321 10.639 8.154 -10.062 1.00 24.13 H new ATOM 0 HG CYS A 321 10.020 4.789 -10.544 1.00 22.10 H new ATOM 371 N SER A 322 13.403 5.164 -11.775 1.00 34.11 N ATOM 372 CA SER A 322 14.479 4.297 -11.321 1.00 22.42 C ATOM 373 C SER A 322 15.475 4.090 -12.407 1.00 62.14 C ATOM 374 O SER A 322 15.343 4.583 -13.495 1.00 5.32 O ATOM 375 CB SER A 322 14.035 2.927 -10.755 1.00 51.01 C ATOM 376 OG SER A 322 15.006 2.455 -9.789 1.00 44.43 O ATOM 0 H SER A 322 12.866 4.828 -12.574 1.00 34.11 H new ATOM 0 HA SER A 322 14.923 4.830 -10.480 1.00 22.42 H new ATOM 0 HB2 SER A 322 13.056 3.018 -10.285 1.00 51.01 H new ATOM 0 HB3 SER A 322 13.934 2.205 -11.565 1.00 51.01 H new ATOM 0 HG SER A 322 14.719 1.588 -9.433 1.00 44.43 H new ATOM 382 N CYS A 323 16.533 3.342 -12.060 1.00 5.25 N ATOM 383 CA CYS A 323 17.632 3.075 -12.947 1.00 1.21 C ATOM 384 C CYS A 323 17.714 1.583 -12.955 1.00 1.33 C ATOM 385 O CYS A 323 17.379 0.968 -11.935 1.00 5.33 O ATOM 386 CB CYS A 323 19.005 3.751 -12.488 1.00 11.13 C ATOM 387 SG CYS A 323 19.951 2.885 -11.165 1.00 60.31 S ATOM 0 H CYS A 323 16.633 2.909 -11.142 1.00 5.25 H new ATOM 0 HA CYS A 323 17.467 3.503 -13.936 1.00 1.21 H new ATOM 0 HB2 CYS A 323 19.649 3.842 -13.363 1.00 11.13 H new ATOM 0 HB3 CYS A 323 18.788 4.763 -12.145 1.00 11.13 H new ATOM 392 N THR A 324 18.172 0.983 -14.077 1.00 73.12 N ATOM 393 CA THR A 324 18.155 -0.471 -14.302 1.00 14.10 C ATOM 394 C THR A 324 18.730 -1.241 -13.124 1.00 0.50 C ATOM 395 O THR A 324 18.084 -2.133 -12.585 1.00 11.40 O ATOM 396 CB THR A 324 18.906 -0.868 -15.568 1.00 24.21 C ATOM 397 OG1 THR A 324 18.946 0.243 -16.484 1.00 40.33 O ATOM 398 CG2 THR A 324 18.192 -2.068 -16.218 1.00 22.34 C ATOM 0 H THR A 324 18.568 1.506 -14.858 1.00 73.12 H new ATOM 0 HA THR A 324 17.104 -0.735 -14.418 1.00 14.10 H new ATOM 0 HB THR A 324 19.930 -1.146 -15.317 1.00 24.21 H new ATOM 0 HG1 THR A 324 19.712 0.816 -16.270 1.00 40.33 H new ATOM 0 HG21 THR A 324 18.722 -2.359 -17.125 1.00 22.34 H new ATOM 0 HG22 THR A 324 18.179 -2.905 -15.520 1.00 22.34 H new ATOM 0 HG23 THR A 324 17.169 -1.790 -16.470 1.00 22.34 H new ATOM 406 N GLU A 325 19.942 -0.867 -12.673 1.00 32.31 N ATOM 407 CA GLU A 325 20.624 -1.626 -11.634 1.00 3.13 C ATOM 408 C GLU A 325 19.888 -1.535 -10.329 1.00 73.11 C ATOM 409 O GLU A 325 19.910 -2.447 -9.568 1.00 53.33 O ATOM 410 CB GLU A 325 22.058 -1.164 -11.401 1.00 13.20 C ATOM 411 CG GLU A 325 22.908 -1.220 -12.684 1.00 20.24 C ATOM 412 CD GLU A 325 23.107 0.194 -13.182 1.00 23.20 C ATOM 413 OE1 GLU A 325 24.271 0.648 -13.247 1.00 0.43 O ATOM 414 OE2 GLU A 325 22.060 0.868 -13.475 1.00 1.21 O ATOM 0 H GLU A 325 20.455 -0.054 -13.013 1.00 32.31 H new ATOM 0 HA GLU A 325 20.645 -2.655 -11.993 1.00 3.13 H new ATOM 0 HB2 GLU A 325 22.050 -0.144 -11.018 1.00 13.20 H new ATOM 0 HB3 GLU A 325 22.518 -1.789 -10.636 1.00 13.20 H new ATOM 0 HG2 GLU A 325 23.870 -1.691 -12.482 1.00 20.24 H new ATOM 0 HG3 GLU A 325 22.411 -1.824 -13.443 1.00 20.24 H new ATOM 421 N CYS A 326 19.198 -0.417 -10.074 1.00 11.31 N ATOM 422 CA CYS A 326 18.480 -0.248 -8.792 1.00 73.35 C ATOM 423 C CYS A 326 17.381 -1.274 -8.746 1.00 74.41 C ATOM 424 O CYS A 326 17.166 -1.923 -7.733 1.00 34.23 O ATOM 425 CB CYS A 326 17.785 1.138 -8.635 1.00 12.13 C ATOM 426 SG CYS A 326 18.656 2.322 -7.570 1.00 12.13 S ATOM 0 H CYS A 326 19.118 0.371 -10.717 1.00 11.31 H new ATOM 0 HA CYS A 326 19.223 -0.348 -8.001 1.00 73.35 H new ATOM 0 HB2 CYS A 326 17.667 1.581 -9.624 1.00 12.13 H new ATOM 0 HB3 CYS A 326 16.784 0.981 -8.234 1.00 12.13 H new ATOM 431 N TYR A 327 16.653 -1.399 -9.869 1.00 1.14 N ATOM 432 CA TYR A 327 15.516 -2.282 -9.943 1.00 53.51 C ATOM 433 C TYR A 327 16.011 -3.703 -9.831 1.00 40.03 C ATOM 434 O TYR A 327 15.791 -4.381 -8.826 1.00 65.21 O ATOM 435 CB TYR A 327 14.763 -2.107 -11.304 1.00 2.03 C ATOM 436 CG TYR A 327 13.554 -2.978 -11.527 1.00 15.30 C ATOM 437 CD1 TYR A 327 12.338 -2.650 -10.968 1.00 15.14 C ATOM 438 CD2 TYR A 327 13.638 -4.111 -12.319 1.00 22.40 C ATOM 439 CE1 TYR A 327 11.233 -3.430 -11.193 1.00 25.31 C ATOM 440 CE2 TYR A 327 12.531 -4.890 -12.537 1.00 42.42 C ATOM 441 CZ TYR A 327 11.327 -4.549 -11.975 1.00 12.12 C ATOM 442 OH TYR A 327 10.185 -5.342 -12.204 1.00 32.23 O ATOM 0 H TYR A 327 16.847 -0.890 -10.732 1.00 1.14 H new ATOM 0 HA TYR A 327 14.825 -2.046 -9.134 1.00 53.51 H new ATOM 0 HB2 TYR A 327 14.452 -1.066 -11.389 1.00 2.03 H new ATOM 0 HB3 TYR A 327 15.471 -2.295 -12.111 1.00 2.03 H new ATOM 0 HD1 TYR A 327 12.255 -1.770 -10.347 1.00 15.14 H new ATOM 0 HD2 TYR A 327 14.582 -4.383 -12.768 1.00 22.40 H new ATOM 0 HE1 TYR A 327 10.285 -3.160 -10.751 1.00 25.31 H new ATOM 0 HE2 TYR A 327 12.607 -5.774 -13.153 1.00 42.42 H new ATOM 0 HH TYR A 327 10.422 -6.098 -12.781 1.00 32.23 H new ATOM 452 N ARG A 328 16.849 -4.099 -10.813 1.00 14.23 N ATOM 453 CA ARG A 328 17.259 -5.478 -11.005 1.00 1.44 C ATOM 454 C ARG A 328 18.017 -5.972 -9.799 1.00 2.01 C ATOM 455 O ARG A 328 17.934 -7.152 -9.443 1.00 33.14 O ATOM 456 CB ARG A 328 18.142 -5.631 -12.264 1.00 60.12 C ATOM 457 CG ARG A 328 18.573 -7.066 -12.588 1.00 4.13 C ATOM 458 CD ARG A 328 20.050 -7.336 -12.288 1.00 42.02 C ATOM 459 NE ARG A 328 20.875 -6.379 -13.104 1.00 74.14 N ATOM 460 CZ ARG A 328 21.780 -5.525 -12.513 1.00 61.41 C ATOM 461 NH1 ARG A 328 21.937 -5.504 -11.147 1.00 40.03 N ATOM 462 NH2 ARG A 328 22.518 -4.679 -13.294 1.00 74.14 N ATOM 0 H ARG A 328 17.255 -3.455 -11.492 1.00 14.23 H new ATOM 0 HA ARG A 328 16.357 -6.075 -11.139 1.00 1.44 H new ATOM 0 HB2 ARG A 328 17.599 -5.230 -13.120 1.00 60.12 H new ATOM 0 HB3 ARG A 328 19.036 -5.020 -12.138 1.00 60.12 H new ATOM 0 HG2 ARG A 328 17.960 -7.761 -12.014 1.00 4.13 H new ATOM 0 HG3 ARG A 328 18.381 -7.267 -13.642 1.00 4.13 H new ATOM 0 HD2 ARG A 328 20.253 -7.203 -11.225 1.00 42.02 H new ATOM 0 HD3 ARG A 328 20.306 -8.366 -12.535 1.00 42.02 H new ATOM 0 HE ARG A 328 20.762 -6.362 -14.118 1.00 74.14 H new ATOM 0 HH11 ARG A 328 21.380 -6.125 -10.560 1.00 40.03 H new ATOM 0 HH12 ARG A 328 22.610 -4.867 -10.721 1.00 40.03 H new ATOM 0 HH21 ARG A 328 22.396 -4.683 -14.307 1.00 74.14 H new ATOM 0 HH22 ARG A 328 23.190 -4.044 -12.864 1.00 74.14 H new ATOM 476 N ALA A 329 18.727 -5.070 -9.120 1.00 34.12 N ATOM 477 CA ALA A 329 19.508 -5.468 -7.975 1.00 32.33 C ATOM 478 C ALA A 329 18.577 -5.780 -6.849 1.00 20.24 C ATOM 479 O ALA A 329 18.623 -6.864 -6.302 1.00 24.43 O ATOM 480 CB ALA A 329 20.467 -4.369 -7.469 1.00 35.35 C ATOM 0 H ALA A 329 18.770 -4.077 -9.347 1.00 34.12 H new ATOM 0 HA ALA A 329 20.105 -6.324 -8.291 1.00 32.33 H new ATOM 0 HB1 ALA A 329 21.022 -4.739 -6.607 1.00 35.35 H new ATOM 0 HB2 ALA A 329 21.165 -4.102 -8.262 1.00 35.35 H new ATOM 0 HB3 ALA A 329 19.892 -3.489 -7.181 1.00 35.35 H new ATOM 486 N LEU A 330 17.712 -4.824 -6.505 1.00 55.31 N ATOM 487 CA LEU A 330 16.871 -4.917 -5.312 1.00 12.04 C ATOM 488 C LEU A 330 15.760 -5.905 -5.557 1.00 34.21 C ATOM 489 O LEU A 330 14.888 -5.626 -6.361 1.00 64.45 O ATOM 490 CB LEU A 330 16.219 -3.534 -5.013 1.00 2.21 C ATOM 491 CG LEU A 330 15.214 -3.491 -3.844 1.00 11.05 C ATOM 492 CD1 LEU A 330 15.714 -4.225 -2.596 1.00 21.32 C ATOM 493 CD2 LEU A 330 14.776 -2.052 -3.517 1.00 35.24 C ATOM 0 H LEU A 330 17.576 -3.968 -7.043 1.00 55.31 H new ATOM 0 HA LEU A 330 17.491 -5.232 -4.473 1.00 12.04 H new ATOM 0 HB2 LEU A 330 17.015 -2.818 -4.807 1.00 2.21 H new ATOM 0 HB3 LEU A 330 15.710 -3.194 -5.915 1.00 2.21 H new ATOM 0 HG LEU A 330 14.333 -4.034 -4.186 1.00 11.05 H new ATOM 0 HD11 LEU A 330 14.962 -4.159 -1.809 1.00 21.32 H new ATOM 0 HD12 LEU A 330 15.895 -5.272 -2.838 1.00 21.32 H new ATOM 0 HD13 LEU A 330 16.641 -3.767 -2.251 1.00 21.32 H new ATOM 0 HD21 LEU A 330 14.068 -2.067 -2.688 1.00 35.24 H new ATOM 0 HD22 LEU A 330 15.648 -1.460 -3.239 1.00 35.24 H new ATOM 0 HD23 LEU A 330 14.301 -1.609 -4.392 1.00 35.24 H new ATOM 505 N PRO A 331 15.732 -7.086 -4.905 1.00 43.45 N ATOM 506 CA PRO A 331 14.575 -7.924 -5.081 1.00 14.23 C ATOM 507 C PRO A 331 13.578 -7.760 -3.958 1.00 32.41 C ATOM 508 O PRO A 331 13.826 -8.107 -2.797 1.00 72.24 O ATOM 509 CB PRO A 331 15.200 -9.335 -5.017 1.00 20.10 C ATOM 510 CG PRO A 331 16.492 -9.173 -4.164 1.00 42.23 C ATOM 511 CD PRO A 331 16.716 -7.655 -3.997 1.00 11.40 C ATOM 0 HA PRO A 331 14.023 -7.700 -5.994 1.00 14.23 H new ATOM 0 HB2 PRO A 331 14.514 -10.049 -4.561 1.00 20.10 H new ATOM 0 HB3 PRO A 331 15.431 -9.708 -6.015 1.00 20.10 H new ATOM 0 HG2 PRO A 331 16.381 -9.658 -3.194 1.00 42.23 H new ATOM 0 HG3 PRO A 331 17.344 -9.639 -4.658 1.00 42.23 H new ATOM 0 HD2 PRO A 331 16.553 -7.332 -2.969 1.00 11.40 H new ATOM 0 HD3 PRO A 331 17.731 -7.363 -4.265 1.00 11.40 H new ATOM 519 N GLU A 332 12.442 -7.215 -4.302 1.00 4.04 N ATOM 520 CA GLU A 332 11.264 -7.177 -3.491 1.00 11.33 C ATOM 521 C GLU A 332 10.227 -7.144 -4.530 1.00 1.43 C ATOM 522 O GLU A 332 10.568 -7.104 -5.721 1.00 51.41 O ATOM 523 CB GLU A 332 11.143 -5.905 -2.598 1.00 42.54 C ATOM 524 CG GLU A 332 12.188 -4.851 -2.923 1.00 31.41 C ATOM 525 CD GLU A 332 11.922 -3.620 -2.092 1.00 12.14 C ATOM 526 OE1 GLU A 332 11.003 -2.837 -2.467 1.00 22.30 O ATOM 527 OE2 GLU A 332 12.634 -3.427 -1.074 1.00 13.13 O ATOM 0 H GLU A 332 12.311 -6.762 -5.206 1.00 4.04 H new ATOM 0 HA GLU A 332 11.224 -8.001 -2.779 1.00 11.33 H new ATOM 0 HB2 GLU A 332 10.149 -5.474 -2.721 1.00 42.54 H new ATOM 0 HB3 GLU A 332 11.238 -6.192 -1.551 1.00 42.54 H new ATOM 0 HG2 GLU A 332 13.187 -5.235 -2.717 1.00 31.41 H new ATOM 0 HG3 GLU A 332 12.155 -4.603 -3.984 1.00 31.41 H new ATOM 534 N PRO A 333 8.964 -7.145 -4.172 1.00 43.41 N ATOM 535 CA PRO A 333 8.019 -6.577 -5.094 1.00 0.21 C ATOM 536 C PRO A 333 8.166 -5.087 -4.916 1.00 55.03 C ATOM 537 O PRO A 333 7.990 -4.569 -3.804 1.00 73.34 O ATOM 538 CB PRO A 333 6.640 -7.050 -4.604 1.00 53.41 C ATOM 539 CG PRO A 333 6.853 -7.467 -3.134 1.00 33.34 C ATOM 540 CD PRO A 333 8.361 -7.734 -2.963 1.00 61.22 C ATOM 0 HA PRO A 333 8.156 -6.854 -6.139 1.00 0.21 H new ATOM 0 HB2 PRO A 333 5.900 -6.254 -4.684 1.00 53.41 H new ATOM 0 HB3 PRO A 333 6.275 -7.886 -5.201 1.00 53.41 H new ATOM 0 HG2 PRO A 333 6.520 -6.681 -2.457 1.00 33.34 H new ATOM 0 HG3 PRO A 333 6.273 -8.359 -2.897 1.00 33.34 H new ATOM 0 HD2 PRO A 333 8.749 -7.270 -2.056 1.00 61.22 H new ATOM 0 HD3 PRO A 333 8.572 -8.801 -2.890 1.00 61.22 H new ATOM 548 N LYS A 334 8.512 -4.370 -5.976 1.00 63.34 N ATOM 549 CA LYS A 334 8.816 -2.984 -5.807 1.00 42.33 C ATOM 550 C LYS A 334 7.607 -2.186 -6.039 1.00 74.32 C ATOM 551 O LYS A 334 6.757 -2.520 -6.871 1.00 41.42 O ATOM 552 CB LYS A 334 9.931 -2.492 -6.732 1.00 1.23 C ATOM 553 CG LYS A 334 11.311 -2.973 -6.291 1.00 33.31 C ATOM 554 CD LYS A 334 12.159 -3.467 -7.442 1.00 65.11 C ATOM 555 CE LYS A 334 12.051 -4.969 -7.658 1.00 3.41 C ATOM 556 NZ LYS A 334 12.762 -5.345 -8.888 1.00 42.02 N ATOM 0 H LYS A 334 8.584 -4.725 -6.930 1.00 63.34 H new ATOM 0 HA LYS A 334 9.174 -2.863 -4.784 1.00 42.33 H new ATOM 0 HB2 LYS A 334 9.736 -2.839 -7.747 1.00 1.23 H new ATOM 0 HB3 LYS A 334 9.921 -1.402 -6.760 1.00 1.23 H new ATOM 0 HG2 LYS A 334 11.830 -2.158 -5.788 1.00 33.31 H new ATOM 0 HG3 LYS A 334 11.195 -3.775 -5.562 1.00 33.31 H new ATOM 0 HD2 LYS A 334 11.859 -2.952 -8.354 1.00 65.11 H new ATOM 0 HD3 LYS A 334 13.201 -3.206 -7.257 1.00 65.11 H new ATOM 0 HE2 LYS A 334 12.474 -5.500 -6.805 1.00 3.41 H new ATOM 0 HE3 LYS A 334 11.003 -5.262 -7.728 1.00 3.41 H new ATOM 0 HZ1 LYS A 334 12.658 -6.367 -9.051 1.00 42.02 H new ATOM 0 HZ2 LYS A 334 12.362 -4.823 -9.694 1.00 42.02 H new ATOM 0 HZ3 LYS A 334 13.771 -5.111 -8.791 1.00 42.02 H new ATOM 570 N LYS A 335 7.512 -1.102 -5.279 1.00 53.21 N ATOM 571 CA LYS A 335 6.426 -0.204 -5.374 1.00 2.12 C ATOM 572 C LYS A 335 6.978 1.017 -6.001 1.00 32.14 C ATOM 573 O LYS A 335 8.164 1.301 -5.903 1.00 5.11 O ATOM 574 CB LYS A 335 5.830 0.178 -3.998 1.00 11.43 C ATOM 575 CG LYS A 335 5.510 -1.042 -3.125 1.00 64.11 C ATOM 576 CD LYS A 335 4.290 -1.838 -3.612 1.00 32.13 C ATOM 577 CE LYS A 335 4.589 -3.324 -3.885 1.00 3.03 C ATOM 578 NZ LYS A 335 5.357 -3.921 -2.760 1.00 3.33 N ATOM 0 H LYS A 335 8.207 -0.841 -4.580 1.00 53.21 H new ATOM 0 HA LYS A 335 5.620 -0.669 -5.941 1.00 2.12 H new ATOM 0 HB2 LYS A 335 6.533 0.822 -3.470 1.00 11.43 H new ATOM 0 HB3 LYS A 335 4.920 0.758 -4.151 1.00 11.43 H new ATOM 0 HG2 LYS A 335 6.378 -1.700 -3.102 1.00 64.11 H new ATOM 0 HG3 LYS A 335 5.333 -0.711 -2.102 1.00 64.11 H new ATOM 0 HD2 LYS A 335 3.499 -1.767 -2.865 1.00 32.13 H new ATOM 0 HD3 LYS A 335 3.909 -1.380 -4.525 1.00 32.13 H new ATOM 0 HE2 LYS A 335 3.655 -3.869 -4.024 1.00 3.03 H new ATOM 0 HE3 LYS A 335 5.156 -3.422 -4.811 1.00 3.03 H new ATOM 0 HZ1 LYS A 335 4.973 -4.861 -2.538 1.00 3.33 H new ATOM 0 HZ2 LYS A 335 6.357 -4.011 -3.031 1.00 3.33 H new ATOM 0 HZ3 LYS A 335 5.279 -3.309 -1.923 1.00 3.33 H new ATOM 592 N CYS A 336 6.119 1.753 -6.695 1.00 61.41 N ATOM 593 CA CYS A 336 6.479 3.011 -7.317 1.00 71.43 C ATOM 594 C CYS A 336 6.957 3.929 -6.207 1.00 61.25 C ATOM 595 O CYS A 336 6.178 4.286 -5.377 1.00 34.14 O ATOM 596 CB CYS A 336 5.252 3.685 -7.968 1.00 32.33 C ATOM 597 SG CYS A 336 5.663 4.676 -9.438 1.00 64.11 S ATOM 0 H CYS A 336 5.145 1.487 -6.840 1.00 61.41 H new ATOM 0 HA CYS A 336 7.234 2.832 -8.083 1.00 71.43 H new ATOM 0 HB2 CYS A 336 4.531 2.917 -8.247 1.00 32.33 H new ATOM 0 HB3 CYS A 336 4.766 4.326 -7.232 1.00 32.33 H new ATOM 602 N PRO A 337 8.198 4.370 -6.235 1.00 34.42 N ATOM 603 CA PRO A 337 8.742 5.217 -5.146 1.00 21.33 C ATOM 604 C PRO A 337 7.985 6.510 -4.932 1.00 73.22 C ATOM 605 O PRO A 337 7.984 7.071 -3.852 1.00 63.54 O ATOM 606 CB PRO A 337 10.198 5.512 -5.566 1.00 45.24 C ATOM 607 CG PRO A 337 10.286 5.116 -7.040 1.00 3.53 C ATOM 608 CD PRO A 337 9.193 4.080 -7.277 1.00 43.01 C ATOM 0 HA PRO A 337 8.658 4.695 -4.193 1.00 21.33 H new ATOM 0 HB2 PRO A 337 10.441 6.566 -5.428 1.00 45.24 H new ATOM 0 HB3 PRO A 337 10.904 4.940 -4.963 1.00 45.24 H new ATOM 0 HG2 PRO A 337 10.144 5.984 -7.684 1.00 3.53 H new ATOM 0 HG3 PRO A 337 11.268 4.704 -7.273 1.00 3.53 H new ATOM 0 HD2 PRO A 337 8.765 4.173 -8.275 1.00 43.01 H new ATOM 0 HD3 PRO A 337 9.579 3.065 -7.189 1.00 43.01 H new ATOM 616 N ILE A 338 7.299 6.984 -5.983 1.00 63.43 N ATOM 617 CA ILE A 338 6.619 8.243 -5.915 1.00 31.43 C ATOM 618 C ILE A 338 5.178 8.025 -5.475 1.00 42.52 C ATOM 619 O ILE A 338 4.640 8.805 -4.717 1.00 3.14 O ATOM 620 CB ILE A 338 6.577 8.955 -7.269 1.00 53.34 C ATOM 621 CG1 ILE A 338 7.770 8.566 -8.178 1.00 0.02 C ATOM 622 CG2 ILE A 338 6.508 10.464 -7.041 1.00 15.10 C ATOM 623 CD1 ILE A 338 9.121 9.068 -7.674 1.00 54.23 C ATOM 0 H ILE A 338 7.213 6.501 -6.877 1.00 63.43 H new ATOM 0 HA ILE A 338 7.171 8.858 -5.204 1.00 31.43 H new ATOM 0 HB ILE A 338 5.682 8.632 -7.801 1.00 53.34 H new ATOM 0 HG12 ILE A 338 7.807 7.480 -8.267 1.00 0.02 H new ATOM 0 HG13 ILE A 338 7.596 8.962 -9.178 1.00 0.02 H new ATOM 0 HG21 ILE A 338 6.478 10.976 -8.003 1.00 15.10 H new ATOM 0 HG22 ILE A 338 5.610 10.705 -6.473 1.00 15.10 H new ATOM 0 HG23 ILE A 338 7.387 10.788 -6.484 1.00 15.10 H new ATOM 0 HD11 ILE A 338 9.905 8.756 -8.363 1.00 54.23 H new ATOM 0 HD12 ILE A 338 9.105 10.156 -7.612 1.00 54.23 H new ATOM 0 HD13 ILE A 338 9.319 8.651 -6.687 1.00 54.23 H new ATOM 635 N CYS A 339 4.533 6.915 -5.924 1.00 23.50 N ATOM 636 CA CYS A 339 3.079 6.826 -5.738 1.00 62.11 C ATOM 637 C CYS A 339 2.691 5.569 -4.972 1.00 22.20 C ATOM 638 O CYS A 339 1.534 5.358 -4.698 1.00 44.02 O ATOM 639 CB CYS A 339 2.296 6.907 -7.098 1.00 74.34 C ATOM 640 SG CYS A 339 2.355 5.380 -8.079 1.00 23.45 S ATOM 0 H CYS A 339 4.973 6.120 -6.388 1.00 23.50 H new ATOM 0 HA CYS A 339 2.791 7.693 -5.144 1.00 62.11 H new ATOM 0 HB2 CYS A 339 1.255 7.153 -6.891 1.00 74.34 H new ATOM 0 HB3 CYS A 339 2.705 7.724 -7.692 1.00 74.34 H new ATOM 645 N ARG A 340 3.666 4.685 -4.693 1.00 0.23 N ATOM 646 CA ARG A 340 3.458 3.458 -3.900 1.00 44.01 C ATOM 647 C ARG A 340 2.556 2.429 -4.583 1.00 41.33 C ATOM 648 O ARG A 340 2.118 1.478 -3.956 1.00 40.31 O ATOM 649 CB ARG A 340 3.026 3.688 -2.435 1.00 2.21 C ATOM 650 CG ARG A 340 3.985 4.625 -1.666 1.00 62.24 C ATOM 651 CD ARG A 340 5.464 4.146 -1.662 1.00 24.30 C ATOM 652 NE ARG A 340 6.346 5.324 -1.374 1.00 41.44 N ATOM 653 CZ ARG A 340 6.784 5.597 -0.095 1.00 5.34 C ATOM 654 NH1 ARG A 340 6.385 4.819 0.968 1.00 52.12 N ATOM 655 NH2 ARG A 340 7.610 6.666 0.122 1.00 23.13 N ATOM 0 H ARG A 340 4.627 4.802 -5.013 1.00 0.23 H new ATOM 0 HA ARG A 340 4.461 3.034 -3.851 1.00 44.01 H new ATOM 0 HB2 ARG A 340 2.022 4.112 -2.420 1.00 2.21 H new ATOM 0 HB3 ARG A 340 2.975 2.728 -1.922 1.00 2.21 H new ATOM 0 HG2 ARG A 340 3.937 5.620 -2.108 1.00 62.24 H new ATOM 0 HG3 ARG A 340 3.640 4.716 -0.636 1.00 62.24 H new ATOM 0 HD2 ARG A 340 5.609 3.371 -0.909 1.00 24.30 H new ATOM 0 HD3 ARG A 340 5.722 3.706 -2.625 1.00 24.30 H new ATOM 0 HE ARG A 340 6.628 5.936 -2.140 1.00 41.44 H new ATOM 0 HH11 ARG A 340 5.758 4.029 0.815 1.00 52.12 H new ATOM 0 HH12 ARG A 340 6.717 5.032 1.909 1.00 52.12 H new ATOM 0 HH21 ARG A 340 7.898 7.255 -0.659 1.00 23.13 H new ATOM 0 HH22 ARG A 340 7.938 6.874 1.065 1.00 23.13 H new ATOM 669 N GLN A 341 2.266 2.595 -5.895 1.00 53.15 N ATOM 670 CA GLN A 341 1.530 1.558 -6.629 1.00 53.13 C ATOM 671 C GLN A 341 2.526 0.481 -6.932 1.00 72.12 C ATOM 672 O GLN A 341 3.684 0.791 -7.195 1.00 65.32 O ATOM 673 CB GLN A 341 1.031 2.029 -8.002 1.00 23.21 C ATOM 674 CG GLN A 341 -0.211 2.910 -7.974 1.00 72.31 C ATOM 675 CD GLN A 341 -0.344 3.520 -9.371 1.00 1.15 C ATOM 676 OE1 GLN A 341 0.681 3.866 -10.011 1.00 63.43 O ATOM 677 NE2 GLN A 341 -1.580 3.653 -9.873 1.00 64.15 N ATOM 0 H GLN A 341 2.524 3.413 -6.447 1.00 53.15 H new ATOM 0 HA GLN A 341 0.675 1.259 -6.022 1.00 53.13 H new ATOM 0 HB2 GLN A 341 1.834 2.577 -8.494 1.00 23.21 H new ATOM 0 HB3 GLN A 341 0.821 1.152 -8.615 1.00 23.21 H new ATOM 0 HG2 GLN A 341 -1.095 2.325 -7.720 1.00 72.31 H new ATOM 0 HG3 GLN A 341 -0.117 3.689 -7.218 1.00 72.31 H new ATOM 0 HE21 GLN A 341 -2.388 3.361 -9.323 1.00 64.15 H new ATOM 0 HE22 GLN A 341 -1.712 4.046 -10.805 1.00 64.15 H new ATOM 686 N ALA A 342 2.091 -0.796 -6.900 1.00 72.33 N ATOM 687 CA ALA A 342 2.948 -1.933 -7.259 1.00 40.11 C ATOM 688 C ALA A 342 3.384 -1.779 -8.700 1.00 22.54 C ATOM 689 O ALA A 342 2.662 -1.194 -9.532 1.00 31.10 O ATOM 690 CB ALA A 342 2.241 -3.294 -7.130 1.00 13.42 C ATOM 0 H ALA A 342 1.145 -1.061 -6.627 1.00 72.33 H new ATOM 0 HA ALA A 342 3.788 -1.924 -6.565 1.00 40.11 H new ATOM 0 HB1 ALA A 342 2.931 -4.090 -7.410 1.00 13.42 H new ATOM 0 HB2 ALA A 342 1.918 -3.440 -6.099 1.00 13.42 H new ATOM 0 HB3 ALA A 342 1.373 -3.317 -7.789 1.00 13.42 H new ATOM 696 N ILE A 343 4.571 -2.312 -9.026 1.00 72.15 N ATOM 697 CA ILE A 343 5.087 -2.235 -10.366 1.00 61.45 C ATOM 698 C ILE A 343 4.568 -3.429 -11.121 1.00 71.34 C ATOM 699 O ILE A 343 4.637 -4.572 -10.643 1.00 40.31 O ATOM 700 CB ILE A 343 6.607 -2.197 -10.398 1.00 13.03 C ATOM 701 CG1 ILE A 343 7.102 -0.936 -9.671 1.00 23.30 C ATOM 702 CG2 ILE A 343 7.107 -2.233 -11.856 1.00 44.44 C ATOM 703 CD1 ILE A 343 8.574 -0.956 -9.367 1.00 45.33 C ATOM 0 H ILE A 343 5.179 -2.798 -8.366 1.00 72.15 H new ATOM 0 HA ILE A 343 4.753 -1.306 -10.828 1.00 61.45 H new ATOM 0 HB ILE A 343 7.007 -3.072 -9.886 1.00 13.03 H new ATOM 0 HG12 ILE A 343 6.878 -0.062 -10.283 1.00 23.30 H new ATOM 0 HG13 ILE A 343 6.548 -0.823 -8.739 1.00 23.30 H new ATOM 0 HG21 ILE A 343 8.197 -2.205 -11.868 1.00 44.44 H new ATOM 0 HG22 ILE A 343 6.762 -3.149 -12.336 1.00 44.44 H new ATOM 0 HG23 ILE A 343 6.716 -1.371 -12.396 1.00 44.44 H new ATOM 0 HD11 ILE A 343 8.852 -0.035 -8.854 1.00 45.33 H new ATOM 0 HD12 ILE A 343 8.802 -1.810 -8.729 1.00 45.33 H new ATOM 0 HD13 ILE A 343 9.137 -1.037 -10.297 1.00 45.33 H new ATOM 715 N THR A 344 3.992 -3.159 -12.312 1.00 34.40 N ATOM 716 CA THR A 344 3.415 -4.183 -13.134 1.00 43.12 C ATOM 717 C THR A 344 4.408 -4.514 -14.243 1.00 75.41 C ATOM 718 O THR A 344 4.497 -5.658 -14.697 1.00 13.44 O ATOM 719 CB THR A 344 2.081 -3.713 -13.712 1.00 21.25 C ATOM 720 OG1 THR A 344 1.037 -3.877 -12.754 1.00 55.15 O ATOM 721 CG2 THR A 344 1.738 -4.454 -14.999 1.00 63.24 C ATOM 0 H THR A 344 3.926 -2.221 -12.708 1.00 34.40 H new ATOM 0 HA THR A 344 3.215 -5.076 -12.543 1.00 43.12 H new ATOM 0 HB THR A 344 2.179 -2.654 -13.951 1.00 21.25 H new ATOM 0 HG1 THR A 344 0.189 -3.570 -13.138 1.00 55.15 H new ATOM 0 HG21 THR A 344 0.783 -4.095 -15.382 1.00 63.24 H new ATOM 0 HG22 THR A 344 2.517 -4.275 -15.740 1.00 63.24 H new ATOM 0 HG23 THR A 344 1.668 -5.523 -14.796 1.00 63.24 H new ATOM 729 N ARG A 345 5.205 -3.535 -14.659 1.00 24.51 N ATOM 730 CA ARG A 345 6.161 -3.778 -15.714 1.00 0.13 C ATOM 731 C ARG A 345 7.153 -2.702 -15.639 1.00 24.52 C ATOM 732 O ARG A 345 6.988 -1.750 -14.896 1.00 52.01 O ATOM 733 CB ARG A 345 5.556 -3.804 -17.153 1.00 40.52 C ATOM 734 CG ARG A 345 5.950 -5.039 -17.961 1.00 75.14 C ATOM 735 CD ARG A 345 5.952 -4.793 -19.476 1.00 64.11 C ATOM 736 NE ARG A 345 7.227 -4.090 -19.841 1.00 73.23 N ATOM 737 CZ ARG A 345 7.328 -3.379 -21.017 1.00 42.14 C ATOM 738 NH1 ARG A 345 6.247 -3.267 -21.861 1.00 41.43 N ATOM 739 NH2 ARG A 345 8.515 -2.784 -21.348 1.00 4.44 N ATOM 0 H ARG A 345 5.204 -2.586 -14.285 1.00 24.51 H new ATOM 0 HA ARG A 345 6.579 -4.772 -15.557 1.00 0.13 H new ATOM 0 HB2 ARG A 345 4.469 -3.758 -17.082 1.00 40.52 H new ATOM 0 HB3 ARG A 345 5.878 -2.911 -17.689 1.00 40.52 H new ATOM 0 HG2 ARG A 345 6.942 -5.367 -17.651 1.00 75.14 H new ATOM 0 HG3 ARG A 345 5.260 -5.851 -17.732 1.00 75.14 H new ATOM 0 HD2 ARG A 345 5.873 -5.738 -20.014 1.00 64.11 H new ATOM 0 HD3 ARG A 345 5.091 -4.190 -19.763 1.00 64.11 H new ATOM 0 HE ARG A 345 8.028 -4.139 -19.211 1.00 73.23 H new ATOM 0 HH11 ARG A 345 5.362 -3.712 -21.618 1.00 41.43 H new ATOM 0 HH12 ARG A 345 6.331 -2.739 -22.730 1.00 41.43 H new ATOM 0 HH21 ARG A 345 9.319 -2.868 -20.726 1.00 4.44 H new ATOM 0 HH22 ARG A 345 8.596 -2.256 -22.217 1.00 4.44 H new ATOM 753 N VAL A 346 8.213 -2.837 -16.415 1.00 34.30 N ATOM 754 CA VAL A 346 9.254 -1.877 -16.409 1.00 20.22 C ATOM 755 C VAL A 346 9.621 -1.679 -17.838 1.00 64.23 C ATOM 756 O VAL A 346 9.875 -2.638 -18.566 1.00 41.44 O ATOM 757 CB VAL A 346 10.483 -2.287 -15.576 1.00 22.53 C ATOM 758 CG1 VAL A 346 11.041 -3.651 -16.047 1.00 40.31 C ATOM 759 CG2 VAL A 346 11.536 -1.158 -15.611 1.00 44.52 C ATOM 0 H VAL A 346 8.358 -3.617 -17.056 1.00 34.30 H new ATOM 0 HA VAL A 346 8.905 -0.962 -15.931 1.00 20.22 H new ATOM 0 HB VAL A 346 10.190 -2.426 -14.535 1.00 22.53 H new ATOM 0 HG11 VAL A 346 11.908 -3.918 -15.443 1.00 40.31 H new ATOM 0 HG12 VAL A 346 10.273 -4.416 -15.936 1.00 40.31 H new ATOM 0 HG13 VAL A 346 11.336 -3.582 -17.094 1.00 40.31 H new ATOM 0 HG21 VAL A 346 12.404 -1.452 -15.021 1.00 44.52 H new ATOM 0 HG22 VAL A 346 11.842 -0.978 -16.641 1.00 44.52 H new ATOM 0 HG23 VAL A 346 11.106 -0.247 -15.196 1.00 44.52 H new ATOM 769 N ILE A 347 9.547 -0.431 -18.288 1.00 42.12 N ATOM 770 CA ILE A 347 9.936 -0.076 -19.609 1.00 60.23 C ATOM 771 C ILE A 347 11.273 0.589 -19.437 1.00 63.13 C ATOM 772 O ILE A 347 11.360 1.719 -18.933 1.00 53.02 O ATOM 773 CB ILE A 347 8.980 0.929 -20.255 1.00 15.40 C ATOM 774 CG1 ILE A 347 7.505 0.510 -20.042 1.00 12.44 C ATOM 775 CG2 ILE A 347 9.319 1.057 -21.749 1.00 1.03 C ATOM 776 CD1 ILE A 347 6.765 1.392 -19.057 1.00 60.32 C ATOM 0 H ILE A 347 9.211 0.352 -17.728 1.00 42.12 H new ATOM 0 HA ILE A 347 9.945 -0.956 -20.252 1.00 60.23 H new ATOM 0 HB ILE A 347 9.104 1.902 -19.780 1.00 15.40 H new ATOM 0 HG12 ILE A 347 6.986 0.534 -21.000 1.00 12.44 H new ATOM 0 HG13 ILE A 347 7.475 -0.521 -19.689 1.00 12.44 H new ATOM 0 HG21 ILE A 347 8.641 1.772 -22.216 1.00 1.03 H new ATOM 0 HG22 ILE A 347 10.346 1.404 -21.861 1.00 1.03 H new ATOM 0 HG23 ILE A 347 9.210 0.086 -22.231 1.00 1.03 H new ATOM 0 HD11 ILE A 347 5.738 1.042 -18.956 1.00 60.32 H new ATOM 0 HD12 ILE A 347 7.260 1.349 -18.087 1.00 60.32 H new ATOM 0 HD13 ILE A 347 6.764 2.420 -19.419 1.00 60.32 H new ATOM 788 N PRO A 348 12.349 -0.101 -19.797 1.00 41.14 N ATOM 789 CA PRO A 348 13.655 0.471 -19.670 1.00 43.13 C ATOM 790 C PRO A 348 13.926 1.463 -20.733 1.00 35.30 C ATOM 791 O PRO A 348 13.436 1.345 -21.857 1.00 25.30 O ATOM 792 CB PRO A 348 14.631 -0.710 -19.792 1.00 53.14 C ATOM 793 CG PRO A 348 13.869 -1.767 -20.583 1.00 51.43 C ATOM 794 CD PRO A 348 12.382 -1.477 -20.350 1.00 51.21 C ATOM 0 HA PRO A 348 13.755 1.002 -18.723 1.00 43.13 H new ATOM 0 HB2 PRO A 348 15.546 -0.415 -20.306 1.00 53.14 H new ATOM 0 HB3 PRO A 348 14.923 -1.085 -18.811 1.00 53.14 H new ATOM 0 HG2 PRO A 348 14.116 -1.714 -21.643 1.00 51.43 H new ATOM 0 HG3 PRO A 348 14.129 -2.770 -20.245 1.00 51.43 H new ATOM 0 HD2 PRO A 348 11.815 -1.544 -21.279 1.00 51.21 H new ATOM 0 HD3 PRO A 348 11.943 -2.193 -19.656 1.00 51.21 H new ATOM 802 N LEU A 349 14.704 2.451 -20.390 1.00 53.12 N ATOM 803 CA LEU A 349 15.142 3.418 -21.307 1.00 21.10 C ATOM 804 C LEU A 349 16.589 3.162 -21.267 1.00 60.53 C ATOM 805 O LEU A 349 17.135 2.956 -20.184 1.00 41.33 O ATOM 806 CB LEU A 349 14.850 4.877 -20.865 1.00 23.30 C ATOM 807 CG LEU A 349 13.361 5.124 -20.521 1.00 64.42 C ATOM 808 CD1 LEU A 349 13.117 6.504 -19.899 1.00 32.20 C ATOM 809 CD2 LEU A 349 12.429 4.862 -21.719 1.00 2.21 C ATOM 0 H LEU A 349 15.048 2.593 -19.441 1.00 53.12 H new ATOM 0 HA LEU A 349 14.655 3.341 -22.279 1.00 21.10 H new ATOM 0 HB2 LEU A 349 15.462 5.115 -19.995 1.00 23.30 H new ATOM 0 HB3 LEU A 349 15.150 5.558 -21.662 1.00 23.30 H new ATOM 0 HG LEU A 349 13.107 4.390 -19.756 1.00 64.42 H new ATOM 0 HD11 LEU A 349 12.056 6.621 -19.679 1.00 32.20 H new ATOM 0 HD12 LEU A 349 13.691 6.594 -18.977 1.00 32.20 H new ATOM 0 HD13 LEU A 349 13.430 7.279 -20.599 1.00 32.20 H new ATOM 0 HD21 LEU A 349 11.396 5.050 -21.425 1.00 2.21 H new ATOM 0 HD22 LEU A 349 12.698 5.525 -22.541 1.00 2.21 H new ATOM 0 HD23 LEU A 349 12.532 3.825 -22.040 1.00 2.21 H new ATOM 821 N TYR A 350 17.256 3.125 -22.395 1.00 0.44 N ATOM 822 CA TYR A 350 18.642 2.744 -22.387 1.00 72.32 C ATOM 823 C TYR A 350 19.456 3.971 -22.251 1.00 45.21 C ATOM 824 O TYR A 350 19.645 4.729 -23.206 1.00 60.21 O ATOM 825 CB TYR A 350 19.073 1.971 -23.651 1.00 4.41 C ATOM 826 CG TYR A 350 18.530 0.566 -23.670 1.00 12.51 C ATOM 827 CD1 TYR A 350 17.522 0.209 -24.538 1.00 71.23 C ATOM 828 CD2 TYR A 350 19.024 -0.389 -22.798 1.00 43.54 C ATOM 829 CE1 TYR A 350 17.019 -1.068 -24.540 1.00 4.31 C ATOM 830 CE2 TYR A 350 18.520 -1.666 -22.803 1.00 43.21 C ATOM 831 CZ TYR A 350 17.518 -2.006 -23.673 1.00 41.13 C ATOM 832 OH TYR A 350 17.006 -3.324 -23.680 1.00 34.11 O ATOM 0 H TYR A 350 16.869 3.350 -23.312 1.00 0.44 H new ATOM 0 HA TYR A 350 18.796 2.065 -21.549 1.00 72.32 H new ATOM 0 HB2 TYR A 350 18.728 2.504 -24.537 1.00 4.41 H new ATOM 0 HB3 TYR A 350 20.161 1.939 -23.702 1.00 4.41 H new ATOM 0 HD1 TYR A 350 17.123 0.942 -25.224 1.00 71.23 H new ATOM 0 HD2 TYR A 350 19.813 -0.127 -22.108 1.00 43.54 H new ATOM 0 HE1 TYR A 350 16.229 -1.335 -25.226 1.00 4.31 H new ATOM 0 HE2 TYR A 350 18.914 -2.404 -22.120 1.00 43.21 H new ATOM 0 HH TYR A 350 17.472 -3.859 -23.004 1.00 34.11 H new ATOM 842 N ASN A 351 19.937 4.205 -21.026 1.00 24.45 N ATOM 843 CA ASN A 351 20.779 5.331 -20.748 1.00 20.31 C ATOM 844 C ASN A 351 21.590 4.907 -19.581 1.00 73.13 C ATOM 845 O ASN A 351 22.765 4.604 -19.719 1.00 32.42 O ATOM 846 CB ASN A 351 20.020 6.645 -20.399 1.00 63.41 C ATOM 847 CG ASN A 351 19.968 7.616 -21.581 1.00 2.31 C ATOM 848 OD1 ASN A 351 21.012 8.109 -22.049 1.00 43.02 O ATOM 849 ND2 ASN A 351 18.753 7.906 -22.086 1.00 13.00 N ATOM 0 H ASN A 351 19.745 3.614 -20.217 1.00 24.45 H new ATOM 0 HA ASN A 351 21.355 5.579 -21.639 1.00 20.31 H new ATOM 0 HB2 ASN A 351 19.005 6.403 -20.085 1.00 63.41 H new ATOM 0 HB3 ASN A 351 20.508 7.130 -19.554 1.00 63.41 H new ATOM 0 HD21 ASN A 351 18.668 8.547 -22.875 1.00 13.00 H new ATOM 0 HD22 ASN A 351 17.918 7.485 -21.679 1.00 13.00 H new ATOM 856 N SER A 352 20.960 4.783 -18.411 1.00 51.13 N ATOM 857 CA SER A 352 21.684 4.385 -17.226 1.00 4.42 C ATOM 858 C SER A 352 20.715 3.543 -16.367 1.00 21.35 C ATOM 859 O SER A 352 19.681 4.099 -15.876 1.00 0.00 O ATOM 860 CB SER A 352 22.175 5.590 -16.365 1.00 40.32 C ATOM 861 OG SER A 352 22.676 6.660 -17.193 1.00 71.31 O ATOM 862 OXT SER A 352 20.998 2.327 -16.174 1.00 0.00 O ATOM 0 H SER A 352 19.964 4.952 -18.270 1.00 51.13 H new ATOM 0 HA SER A 352 22.572 3.836 -17.540 1.00 4.42 H new ATOM 0 HB2 SER A 352 21.354 5.958 -15.750 1.00 40.32 H new ATOM 0 HB3 SER A 352 22.959 5.257 -15.684 1.00 40.32 H new ATOM 0 HG SER A 352 22.975 7.401 -16.625 1.00 71.31 H new TER 868 SER A 352 HETATM 869 ZN ZN A 500 19.363 3.929 -9.106 1.00 0.00 ZN HETATM 870 ZN ZN A 501 3.703 5.852 -9.956 1.00 0.00 ZN