USER MOD reduce.3.24.130724 H: found=0, std=0, add=342, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 339 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 Set 1.1: A 40 CYS SG : rot -146:sc= 0.677 USER MOD Set 1.2: A 43 CYS SG : rot 180:sc= 0.232 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0255 USER MOD Single : A 14 CYS SG : rot 150:sc=-0.00106 USER MOD Single : A 19 LYS NZ :NH3+ -136:sc= 0.997 (180deg=-0.122) USER MOD Single : A 20 THR OG1 : rot -66:sc= 1.23 USER MOD Single : A 28 SER OG : rot 83:sc= 1.2 USER MOD Single : A 38 MET CE :methyl -149:sc=-0.00971 (180deg=-0.0281) USER MOD Single : A 39 HIS : no HD1:sc=-0.00872 X(o=-0.0087,f=-0.0013) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0699 X(o=-0.07,f=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.21 X(o=-0.21,f=-0.21) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0.882 K(o=0.88,f=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 139 N SER A 10 15.137 -47.671 -2.824 1.00 10.00 N ATOM 140 CA SER A 10 16.562 -47.874 -2.522 1.00 10.00 C ATOM 141 C SER A 10 17.259 -46.622 -1.976 1.00 10.00 C ATOM 142 O SER A 10 16.898 -45.489 -2.310 1.00 10.00 O ATOM 143 CB SER A 10 17.285 -48.301 -3.812 1.00 10.00 C ATOM 144 OG SER A 10 18.670 -48.521 -3.587 1.00 10.00 O ATOM 0 HA SER A 10 16.612 -48.638 -1.746 1.00 10.00 H new ATOM 0 HB2 SER A 10 16.830 -49.212 -4.200 1.00 10.00 H new ATOM 0 HB3 SER A 10 17.157 -47.531 -4.573 1.00 10.00 H new ATOM 0 HG SER A 10 19.099 -48.792 -4.426 1.00 10.00 H new ATOM 150 N ARG A 11 18.345 -46.838 -1.218 1.00 10.00 N ATOM 151 CA ARG A 11 19.266 -45.802 -0.711 1.00 10.00 C ATOM 152 C ARG A 11 19.827 -44.949 -1.846 1.00 10.00 C ATOM 153 O ARG A 11 20.082 -43.763 -1.669 1.00 10.00 O ATOM 154 CB ARG A 11 20.405 -46.503 0.044 1.00 10.00 C ATOM 155 CG ARG A 11 21.292 -45.540 0.852 1.00 10.00 C ATOM 156 CD ARG A 11 22.298 -46.322 1.708 1.00 10.00 C ATOM 157 NE ARG A 11 23.180 -45.427 2.488 1.00 10.00 N ATOM 158 CZ ARG A 11 24.487 -45.264 2.363 1.00 10.00 C ATOM 159 NH1 ARG A 11 25.192 -45.821 1.422 1.00 10.00 N ATOM 160 NH2 ARG A 11 25.134 -44.519 3.205 1.00 10.00 N ATOM 0 H ARG A 11 18.619 -47.777 -0.928 1.00 10.00 H new ATOM 0 HA ARG A 11 18.723 -45.131 -0.045 1.00 10.00 H new ATOM 0 HB2 ARG A 11 19.979 -47.245 0.720 1.00 10.00 H new ATOM 0 HB3 ARG A 11 21.026 -47.042 -0.671 1.00 10.00 H new ATOM 0 HG2 ARG A 11 21.824 -44.872 0.175 1.00 10.00 H new ATOM 0 HG3 ARG A 11 20.670 -44.915 1.492 1.00 10.00 H new ATOM 0 HD2 ARG A 11 21.759 -46.982 2.388 1.00 10.00 H new ATOM 0 HD3 ARG A 11 22.906 -46.957 1.063 1.00 10.00 H new ATOM 0 HE ARG A 11 22.726 -44.868 3.210 1.00 10.00 H new ATOM 0 HH11 ARG A 11 24.739 -46.419 0.731 1.00 10.00 H new ATOM 0 HH12 ARG A 11 26.198 -45.659 1.375 1.00 10.00 H new ATOM 0 HH21 ARG A 11 24.635 -44.057 3.966 1.00 10.00 H new ATOM 0 HH22 ARG A 11 26.142 -44.395 3.107 1.00 10.00 H new ATOM 174 N GLU A 12 19.977 -45.553 -3.022 1.00 10.00 N ATOM 175 CA GLU A 12 20.454 -44.909 -4.255 1.00 10.00 C ATOM 176 C GLU A 12 19.588 -43.703 -4.671 1.00 10.00 C ATOM 177 O GLU A 12 20.116 -42.690 -5.135 1.00 10.00 O ATOM 178 CB GLU A 12 20.489 -45.966 -5.371 1.00 10.00 C ATOM 179 CG GLU A 12 21.218 -45.484 -6.631 1.00 10.00 C ATOM 180 CD GLU A 12 21.306 -46.608 -7.681 1.00 10.00 C ATOM 181 OE1 GLU A 12 22.279 -47.401 -7.650 1.00 10.00 O ATOM 182 OE2 GLU A 12 20.406 -46.706 -8.550 1.00 10.00 O ATOM 0 H GLU A 12 19.763 -46.542 -3.153 1.00 10.00 H new ATOM 0 HA GLU A 12 21.453 -44.512 -4.073 1.00 10.00 H new ATOM 0 HB2 GLU A 12 20.978 -46.865 -4.997 1.00 10.00 H new ATOM 0 HB3 GLU A 12 19.468 -46.244 -5.633 1.00 10.00 H new ATOM 0 HG2 GLU A 12 20.694 -44.627 -7.053 1.00 10.00 H new ATOM 0 HG3 GLU A 12 22.221 -45.147 -6.369 1.00 10.00 H new ATOM 189 N ARG A 13 18.265 -43.765 -4.458 1.00 10.00 N ATOM 190 CA ARG A 13 17.346 -42.645 -4.743 1.00 10.00 C ATOM 191 C ARG A 13 17.600 -41.476 -3.787 1.00 10.00 C ATOM 192 O ARG A 13 17.720 -40.329 -4.214 1.00 10.00 O ATOM 193 CB ARG A 13 15.890 -43.118 -4.664 1.00 10.00 C ATOM 194 CG ARG A 13 15.515 -44.184 -5.705 1.00 10.00 C ATOM 195 CD ARG A 13 15.758 -43.758 -7.159 1.00 10.00 C ATOM 196 NE ARG A 13 15.210 -44.752 -8.102 1.00 10.00 N ATOM 197 CZ ARG A 13 14.985 -44.583 -9.393 1.00 10.00 C ATOM 198 NH1 ARG A 13 15.247 -43.462 -10.005 1.00 10.00 N ATOM 199 NH2 ARG A 13 14.484 -45.551 -10.106 1.00 10.00 N ATOM 0 H ARG A 13 17.799 -44.591 -4.083 1.00 10.00 H new ATOM 0 HA ARG A 13 17.534 -42.291 -5.756 1.00 10.00 H new ATOM 0 HB2 ARG A 13 15.704 -43.519 -3.668 1.00 10.00 H new ATOM 0 HB3 ARG A 13 15.233 -42.257 -4.789 1.00 10.00 H new ATOM 0 HG2 ARG A 13 16.087 -45.089 -5.503 1.00 10.00 H new ATOM 0 HG3 ARG A 13 14.462 -44.439 -5.584 1.00 10.00 H new ATOM 0 HD2 ARG A 13 15.295 -42.788 -7.339 1.00 10.00 H new ATOM 0 HD3 ARG A 13 16.827 -43.638 -7.332 1.00 10.00 H new ATOM 0 HE ARG A 13 14.980 -45.668 -7.716 1.00 10.00 H new ATOM 0 HH11 ARG A 13 15.640 -42.677 -9.485 1.00 10.00 H new ATOM 0 HH12 ARG A 13 15.059 -43.370 -11.003 1.00 10.00 H new ATOM 0 HH21 ARG A 13 14.263 -46.445 -9.668 1.00 10.00 H new ATOM 0 HH22 ARG A 13 14.312 -45.415 -11.102 1.00 10.00 H new ATOM 213 N CYS A 14 17.748 -41.777 -2.498 1.00 10.00 N ATOM 214 CA CYS A 14 18.109 -40.805 -1.461 1.00 10.00 C ATOM 215 C CYS A 14 19.503 -40.191 -1.718 1.00 10.00 C ATOM 216 O CYS A 14 19.700 -38.986 -1.565 1.00 10.00 O ATOM 217 CB CYS A 14 18.035 -41.521 -0.110 1.00 10.00 C ATOM 218 SG CYS A 14 18.137 -40.305 1.229 1.00 10.00 S ATOM 0 H CYS A 14 17.618 -42.722 -2.135 1.00 10.00 H new ATOM 0 HA CYS A 14 17.413 -39.966 -1.471 1.00 10.00 H new ATOM 0 HB2 CYS A 14 17.104 -42.082 -0.035 1.00 10.00 H new ATOM 0 HB3 CYS A 14 18.849 -42.241 -0.024 1.00 10.00 H new ATOM 0 HG CYS A 14 17.474 -40.738 2.260 1.00 10.00 H new ATOM 224 N ALA A 15 20.461 -41.006 -2.169 1.00 10.00 N ATOM 225 CA ALA A 15 21.811 -40.573 -2.542 1.00 10.00 C ATOM 226 C ALA A 15 21.776 -39.570 -3.715 1.00 10.00 C ATOM 227 O ALA A 15 22.455 -38.542 -3.681 1.00 10.00 O ATOM 228 CB ALA A 15 22.645 -41.810 -2.894 1.00 10.00 C ATOM 0 H ALA A 15 20.316 -42.009 -2.288 1.00 10.00 H new ATOM 0 HA ALA A 15 22.269 -40.054 -1.700 1.00 10.00 H new ATOM 0 HB1 ALA A 15 23.653 -41.502 -3.174 1.00 10.00 H new ATOM 0 HB2 ALA A 15 22.695 -42.473 -2.030 1.00 10.00 H new ATOM 0 HB3 ALA A 15 22.182 -42.336 -3.729 1.00 10.00 H new ATOM 234 N ASP A 16 20.946 -39.826 -4.733 1.00 10.00 N ATOM 235 CA ASP A 16 20.742 -38.908 -5.862 1.00 10.00 C ATOM 236 C ASP A 16 20.100 -37.586 -5.400 1.00 10.00 C ATOM 237 O ASP A 16 20.457 -36.513 -5.886 1.00 10.00 O ATOM 238 CB ASP A 16 19.880 -39.594 -6.928 1.00 10.00 C ATOM 239 CG ASP A 16 19.785 -38.752 -8.211 1.00 10.00 C ATOM 240 OD1 ASP A 16 20.799 -38.650 -8.942 1.00 10.00 O ATOM 241 OD2 ASP A 16 18.692 -38.211 -8.504 1.00 10.00 O ATOM 0 H ASP A 16 20.393 -40.681 -4.798 1.00 10.00 H new ATOM 0 HA ASP A 16 21.712 -38.661 -6.293 1.00 10.00 H new ATOM 0 HB2 ASP A 16 20.302 -40.571 -7.164 1.00 10.00 H new ATOM 0 HB3 ASP A 16 18.880 -39.767 -6.531 1.00 10.00 H new ATOM 246 N ALA A 17 19.192 -37.646 -4.418 1.00 10.00 N ATOM 247 CA ALA A 17 18.582 -36.459 -3.817 1.00 10.00 C ATOM 248 C ALA A 17 19.621 -35.625 -3.033 1.00 10.00 C ATOM 249 O ALA A 17 19.629 -34.397 -3.142 1.00 10.00 O ATOM 250 CB ALA A 17 17.397 -36.883 -2.940 1.00 10.00 C ATOM 0 H ALA A 17 18.860 -38.524 -4.018 1.00 10.00 H new ATOM 0 HA ALA A 17 18.207 -35.810 -4.609 1.00 10.00 H new ATOM 0 HB1 ALA A 17 16.942 -36.000 -2.492 1.00 10.00 H new ATOM 0 HB2 ALA A 17 16.658 -37.401 -3.552 1.00 10.00 H new ATOM 0 HB3 ALA A 17 17.748 -37.550 -2.152 1.00 10.00 H new ATOM 256 N LEU A 18 20.541 -36.265 -2.296 1.00 10.00 N ATOM 257 CA LEU A 18 21.640 -35.630 -1.568 1.00 10.00 C ATOM 258 C LEU A 18 22.568 -34.888 -2.550 1.00 10.00 C ATOM 259 O LEU A 18 22.946 -33.744 -2.296 1.00 10.00 O ATOM 260 CB LEU A 18 22.331 -36.748 -0.753 1.00 10.00 C ATOM 261 CG LEU A 18 23.798 -36.519 -0.388 1.00 10.00 C ATOM 262 CD1 LEU A 18 24.006 -35.332 0.557 1.00 10.00 C ATOM 263 CD2 LEU A 18 24.366 -37.760 0.295 1.00 10.00 C ATOM 0 H LEU A 18 20.536 -37.279 -2.189 1.00 10.00 H new ATOM 0 HA LEU A 18 21.301 -34.860 -0.875 1.00 10.00 H new ATOM 0 HB2 LEU A 18 21.769 -36.895 0.169 1.00 10.00 H new ATOM 0 HB3 LEU A 18 22.261 -37.676 -1.320 1.00 10.00 H new ATOM 0 HG LEU A 18 24.311 -36.306 -1.326 1.00 10.00 H new ATOM 0 HD11 LEU A 18 25.068 -35.224 0.777 1.00 10.00 H new ATOM 0 HD12 LEU A 18 23.639 -34.421 0.084 1.00 10.00 H new ATOM 0 HD13 LEU A 18 23.459 -35.505 1.484 1.00 10.00 H new ATOM 0 HD21 LEU A 18 25.411 -37.588 0.551 1.00 10.00 H new ATOM 0 HD22 LEU A 18 23.799 -37.967 1.203 1.00 10.00 H new ATOM 0 HD23 LEU A 18 24.294 -38.612 -0.381 1.00 10.00 H new ATOM 275 N LYS A 19 22.906 -35.506 -3.693 1.00 10.00 N ATOM 276 CA LYS A 19 23.734 -34.947 -4.759 1.00 10.00 C ATOM 277 C LYS A 19 23.291 -33.572 -5.285 1.00 10.00 C ATOM 278 O LYS A 19 24.118 -32.850 -5.843 1.00 10.00 O ATOM 279 CB LYS A 19 23.767 -36.022 -5.858 1.00 10.00 C ATOM 280 CG LYS A 19 24.982 -35.900 -6.764 1.00 10.00 C ATOM 281 CD LYS A 19 24.712 -35.074 -8.038 1.00 10.00 C ATOM 282 CE LYS A 19 25.937 -34.305 -8.553 1.00 10.00 C ATOM 283 NZ LYS A 19 26.356 -33.231 -7.610 1.00 10.00 N ATOM 0 H LYS A 19 22.592 -36.453 -3.903 1.00 10.00 H new ATOM 0 HA LYS A 19 24.727 -34.724 -4.369 1.00 10.00 H new ATOM 0 HB2 LYS A 19 23.762 -37.009 -5.395 1.00 10.00 H new ATOM 0 HB3 LYS A 19 22.861 -35.948 -6.460 1.00 10.00 H new ATOM 0 HG2 LYS A 19 25.798 -35.439 -6.207 1.00 10.00 H new ATOM 0 HG3 LYS A 19 25.315 -36.898 -7.050 1.00 10.00 H new ATOM 0 HD2 LYS A 19 24.358 -35.742 -8.824 1.00 10.00 H new ATOM 0 HD3 LYS A 19 23.909 -34.365 -7.836 1.00 10.00 H new ATOM 0 HE2 LYS A 19 26.764 -34.999 -8.704 1.00 10.00 H new ATOM 0 HE3 LYS A 19 25.708 -33.866 -9.524 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 26.570 -32.364 -8.144 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 25.587 -33.042 -6.936 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 27.204 -33.536 -7.091 1.00 10.00 H new ATOM 297 N THR A 20 22.023 -33.186 -5.107 1.00 10.00 N ATOM 298 CA THR A 20 21.508 -31.867 -5.530 1.00 10.00 C ATOM 299 C THR A 20 22.124 -30.695 -4.749 1.00 10.00 C ATOM 300 O THR A 20 22.157 -29.571 -5.258 1.00 10.00 O ATOM 301 CB THR A 20 19.975 -31.765 -5.431 1.00 10.00 C ATOM 302 OG1 THR A 20 19.527 -31.825 -4.094 1.00 10.00 O ATOM 303 CG2 THR A 20 19.250 -32.843 -6.239 1.00 10.00 C ATOM 0 H THR A 20 21.319 -33.777 -4.665 1.00 10.00 H new ATOM 0 HA THR A 20 21.808 -31.789 -6.575 1.00 10.00 H new ATOM 0 HB THR A 20 19.730 -30.791 -5.856 1.00 10.00 H new ATOM 0 HG1 THR A 20 19.718 -32.712 -3.724 1.00 10.00 H new ATOM 0 HG21 THR A 20 18.173 -32.718 -6.129 1.00 10.00 H new ATOM 0 HG22 THR A 20 19.520 -32.752 -7.291 1.00 10.00 H new ATOM 0 HG23 THR A 20 19.540 -33.828 -5.874 1.00 10.00 H new ATOM 311 N LEU A 21 22.635 -30.936 -3.534 1.00 10.00 N ATOM 312 CA LEU A 21 23.284 -29.925 -2.695 1.00 10.00 C ATOM 313 C LEU A 21 24.669 -29.518 -3.261 1.00 10.00 C ATOM 314 O LEU A 21 25.344 -30.362 -3.865 1.00 10.00 O ATOM 315 CB LEU A 21 23.428 -30.491 -1.270 1.00 10.00 C ATOM 316 CG LEU A 21 22.112 -30.870 -0.559 1.00 10.00 C ATOM 317 CD1 LEU A 21 22.424 -31.365 0.855 1.00 10.00 C ATOM 318 CD2 LEU A 21 21.138 -29.695 -0.448 1.00 10.00 C ATOM 0 H LEU A 21 22.607 -31.859 -3.100 1.00 10.00 H new ATOM 0 HA LEU A 21 22.669 -29.025 -2.681 1.00 10.00 H new ATOM 0 HB2 LEU A 21 24.063 -31.376 -1.314 1.00 10.00 H new ATOM 0 HB3 LEU A 21 23.950 -29.755 -0.659 1.00 10.00 H new ATOM 0 HG LEU A 21 21.639 -31.646 -1.161 1.00 10.00 H new ATOM 0 HD11 LEU A 21 21.496 -31.633 1.360 1.00 10.00 H new ATOM 0 HD12 LEU A 21 23.073 -32.239 0.800 1.00 10.00 H new ATOM 0 HD13 LEU A 21 22.926 -30.576 1.414 1.00 10.00 H new ATOM 0 HD21 LEU A 21 20.231 -30.021 0.061 1.00 10.00 H new ATOM 0 HD22 LEU A 21 21.603 -28.889 0.120 1.00 10.00 H new ATOM 0 HD23 LEU A 21 20.885 -29.336 -1.446 1.00 10.00 H new ATOM 330 N PRO A 22 25.124 -28.258 -3.079 1.00 10.00 N ATOM 331 CA PRO A 22 26.432 -27.792 -3.559 1.00 10.00 C ATOM 332 C PRO A 22 27.603 -28.649 -3.054 1.00 10.00 C ATOM 333 O PRO A 22 27.629 -29.047 -1.889 1.00 10.00 O ATOM 334 CB PRO A 22 26.575 -26.346 -3.064 1.00 10.00 C ATOM 335 CG PRO A 22 25.139 -25.892 -2.818 1.00 10.00 C ATOM 336 CD PRO A 22 24.426 -27.175 -2.399 1.00 10.00 C ATOM 0 HA PRO A 22 26.471 -27.866 -4.646 1.00 10.00 H new ATOM 0 HB2 PRO A 22 27.171 -26.294 -2.153 1.00 10.00 H new ATOM 0 HB3 PRO A 22 27.070 -25.718 -3.805 1.00 10.00 H new ATOM 0 HG2 PRO A 22 25.087 -25.131 -2.039 1.00 10.00 H new ATOM 0 HG3 PRO A 22 24.695 -25.461 -3.715 1.00 10.00 H new ATOM 0 HD2 PRO A 22 24.460 -27.306 -1.317 1.00 10.00 H new ATOM 0 HD3 PRO A 22 23.374 -27.148 -2.683 1.00 10.00 H new ATOM 344 N ASP A 23 28.599 -28.903 -3.910 1.00 10.00 N ATOM 345 CA ASP A 23 29.787 -29.704 -3.565 1.00 10.00 C ATOM 346 C ASP A 23 30.536 -29.168 -2.334 1.00 10.00 C ATOM 347 O ASP A 23 30.891 -29.924 -1.429 1.00 10.00 O ATOM 348 CB ASP A 23 30.727 -29.716 -4.777 1.00 10.00 C ATOM 349 CG ASP A 23 32.002 -30.535 -4.518 1.00 10.00 C ATOM 350 OD1 ASP A 23 31.888 -31.740 -4.198 1.00 10.00 O ATOM 351 OD2 ASP A 23 33.119 -29.979 -4.644 1.00 10.00 O ATOM 0 H ASP A 23 28.607 -28.558 -4.870 1.00 10.00 H new ATOM 0 HA ASP A 23 29.453 -30.710 -3.311 1.00 10.00 H new ATOM 0 HB2 ASP A 23 30.201 -30.129 -5.638 1.00 10.00 H new ATOM 0 HB3 ASP A 23 31.001 -28.692 -5.032 1.00 10.00 H new ATOM 356 N GLU A 24 30.736 -27.850 -2.281 1.00 10.00 N ATOM 357 CA GLU A 24 31.405 -27.172 -1.160 1.00 10.00 C ATOM 358 C GLU A 24 30.590 -27.257 0.142 1.00 10.00 C ATOM 359 O GLU A 24 31.162 -27.416 1.221 1.00 10.00 O ATOM 360 CB GLU A 24 31.672 -25.700 -1.512 1.00 10.00 C ATOM 361 CG GLU A 24 32.659 -25.541 -2.677 1.00 10.00 C ATOM 362 CD GLU A 24 32.957 -24.054 -2.949 1.00 10.00 C ATOM 363 OE1 GLU A 24 32.221 -23.417 -3.743 1.00 10.00 O ATOM 364 OE2 GLU A 24 33.934 -23.509 -2.378 1.00 10.00 O ATOM 0 H GLU A 24 30.437 -27.214 -3.020 1.00 10.00 H new ATOM 0 HA GLU A 24 32.351 -27.687 -0.991 1.00 10.00 H new ATOM 0 HB2 GLU A 24 30.730 -25.215 -1.770 1.00 10.00 H new ATOM 0 HB3 GLU A 24 32.065 -25.186 -0.635 1.00 10.00 H new ATOM 0 HG2 GLU A 24 33.586 -26.065 -2.447 1.00 10.00 H new ATOM 0 HG3 GLU A 24 32.246 -26.003 -3.574 1.00 10.00 H new ATOM 371 N GLU A 25 29.257 -27.194 0.058 1.00 10.00 N ATOM 372 CA GLU A 25 28.369 -27.318 1.220 1.00 10.00 C ATOM 373 C GLU A 25 28.391 -28.753 1.770 1.00 10.00 C ATOM 374 O GLU A 25 28.559 -28.946 2.973 1.00 10.00 O ATOM 375 CB GLU A 25 26.947 -26.872 0.840 1.00 10.00 C ATOM 376 CG GLU A 25 26.032 -26.775 2.066 1.00 10.00 C ATOM 377 CD GLU A 25 24.667 -26.164 1.695 1.00 10.00 C ATOM 378 OE1 GLU A 25 24.551 -24.915 1.647 1.00 10.00 O ATOM 379 OE2 GLU A 25 23.698 -26.926 1.463 1.00 10.00 O ATOM 0 H GLU A 25 28.761 -27.055 -0.822 1.00 10.00 H new ATOM 0 HA GLU A 25 28.726 -26.664 2.016 1.00 10.00 H new ATOM 0 HB2 GLU A 25 26.991 -25.903 0.342 1.00 10.00 H new ATOM 0 HB3 GLU A 25 26.524 -27.578 0.126 1.00 10.00 H new ATOM 0 HG2 GLU A 25 25.885 -27.767 2.493 1.00 10.00 H new ATOM 0 HG3 GLU A 25 26.510 -26.165 2.833 1.00 10.00 H new ATOM 386 N VAL A 26 28.287 -29.760 0.894 1.00 10.00 N ATOM 387 CA VAL A 26 28.367 -31.189 1.251 1.00 10.00 C ATOM 388 C VAL A 26 29.712 -31.493 1.922 1.00 10.00 C ATOM 389 O VAL A 26 29.750 -32.093 2.997 1.00 10.00 O ATOM 390 CB VAL A 26 28.146 -32.057 -0.009 1.00 10.00 C ATOM 391 CG1 VAL A 26 28.477 -33.540 0.187 1.00 10.00 C ATOM 392 CG2 VAL A 26 26.679 -31.982 -0.451 1.00 10.00 C ATOM 0 H VAL A 26 28.142 -29.605 -0.104 1.00 10.00 H new ATOM 0 HA VAL A 26 27.581 -31.431 1.967 1.00 10.00 H new ATOM 0 HB VAL A 26 28.827 -31.649 -0.756 1.00 10.00 H new ATOM 0 HG11 VAL A 26 28.295 -34.079 -0.743 1.00 10.00 H new ATOM 0 HG12 VAL A 26 29.525 -33.645 0.469 1.00 10.00 H new ATOM 0 HG13 VAL A 26 27.847 -33.952 0.975 1.00 10.00 H new ATOM 0 HG21 VAL A 26 26.535 -32.597 -1.339 1.00 10.00 H new ATOM 0 HG22 VAL A 26 26.038 -32.347 0.351 1.00 10.00 H new ATOM 0 HG23 VAL A 26 26.420 -30.948 -0.680 1.00 10.00 H new ATOM 402 N ASP A 27 30.819 -31.042 1.324 1.00 10.00 N ATOM 403 CA ASP A 27 32.168 -31.222 1.870 1.00 10.00 C ATOM 404 C ASP A 27 32.350 -30.529 3.237 1.00 10.00 C ATOM 405 O ASP A 27 33.021 -31.071 4.117 1.00 10.00 O ATOM 406 CB ASP A 27 33.188 -30.717 0.841 1.00 10.00 C ATOM 407 CG ASP A 27 34.612 -31.194 1.158 1.00 10.00 C ATOM 408 OD1 ASP A 27 34.941 -32.351 0.798 1.00 10.00 O ATOM 409 OD2 ASP A 27 35.411 -30.409 1.721 1.00 10.00 O ATOM 0 H ASP A 27 30.804 -30.537 0.438 1.00 10.00 H new ATOM 0 HA ASP A 27 32.330 -32.284 2.055 1.00 10.00 H new ATOM 0 HB2 ASP A 27 32.903 -31.064 -0.152 1.00 10.00 H new ATOM 0 HB3 ASP A 27 33.168 -29.627 0.816 1.00 10.00 H new ATOM 414 N SER A 28 31.719 -29.366 3.449 1.00 10.00 N ATOM 415 CA SER A 28 31.778 -28.629 4.723 1.00 10.00 C ATOM 416 C SER A 28 31.194 -29.423 5.899 1.00 10.00 C ATOM 417 O SER A 28 31.766 -29.389 6.989 1.00 10.00 O ATOM 418 CB SER A 28 31.072 -27.270 4.628 1.00 10.00 C ATOM 419 OG SER A 28 31.733 -26.412 3.713 1.00 10.00 O ATOM 0 H SER A 28 31.150 -28.906 2.739 1.00 10.00 H new ATOM 0 HA SER A 28 32.839 -28.470 4.916 1.00 10.00 H new ATOM 0 HB2 SER A 28 30.039 -27.415 4.313 1.00 10.00 H new ATOM 0 HB3 SER A 28 31.042 -26.803 5.612 1.00 10.00 H new ATOM 0 HG SER A 28 31.442 -26.620 2.801 1.00 10.00 H new ATOM 425 N ILE A 29 30.092 -30.166 5.710 1.00 10.00 N ATOM 426 CA ILE A 29 29.515 -31.001 6.774 1.00 10.00 C ATOM 427 C ILE A 29 30.455 -32.172 7.106 1.00 10.00 C ATOM 428 O ILE A 29 30.704 -32.461 8.277 1.00 10.00 O ATOM 429 CB ILE A 29 28.109 -31.514 6.396 1.00 10.00 C ATOM 430 CG1 ILE A 29 27.167 -30.412 5.864 1.00 10.00 C ATOM 431 CG2 ILE A 29 27.459 -32.211 7.605 1.00 10.00 C ATOM 432 CD1 ILE A 29 26.921 -29.220 6.800 1.00 10.00 C ATOM 0 H ILE A 29 29.582 -30.205 4.828 1.00 10.00 H new ATOM 0 HA ILE A 29 29.405 -30.380 7.663 1.00 10.00 H new ATOM 0 HB ILE A 29 28.254 -32.221 5.579 1.00 10.00 H new ATOM 0 HG12 ILE A 29 27.577 -30.033 4.928 1.00 10.00 H new ATOM 0 HG13 ILE A 29 26.205 -30.868 5.629 1.00 10.00 H new ATOM 0 HG21 ILE A 29 26.467 -32.569 7.329 1.00 10.00 H new ATOM 0 HG22 ILE A 29 28.077 -33.054 7.914 1.00 10.00 H new ATOM 0 HG23 ILE A 29 27.372 -31.503 8.430 1.00 10.00 H new ATOM 0 HD11 ILE A 29 26.245 -28.513 6.319 1.00 10.00 H new ATOM 0 HD12 ILE A 29 26.475 -29.573 7.730 1.00 10.00 H new ATOM 0 HD13 ILE A 29 27.868 -28.726 7.017 1.00 10.00 H new ATOM 444 N LEU A 30 31.039 -32.817 6.089 1.00 10.00 N ATOM 445 CA LEU A 30 32.008 -33.906 6.280 1.00 10.00 C ATOM 446 C LEU A 30 33.254 -33.424 7.046 1.00 10.00 C ATOM 447 O LEU A 30 33.759 -34.139 7.911 1.00 10.00 O ATOM 448 CB LEU A 30 32.402 -34.510 4.923 1.00 10.00 C ATOM 449 CG LEU A 30 31.246 -35.162 4.146 1.00 10.00 C ATOM 450 CD1 LEU A 30 31.767 -35.604 2.782 1.00 10.00 C ATOM 451 CD2 LEU A 30 30.653 -36.374 4.870 1.00 10.00 C ATOM 0 H LEU A 30 30.854 -32.600 5.110 1.00 10.00 H new ATOM 0 HA LEU A 30 31.532 -34.679 6.883 1.00 10.00 H new ATOM 0 HB2 LEU A 30 32.839 -33.725 4.305 1.00 10.00 H new ATOM 0 HB3 LEU A 30 33.179 -35.257 5.086 1.00 10.00 H new ATOM 0 HG LEU A 30 30.451 -34.422 4.052 1.00 10.00 H new ATOM 0 HD11 LEU A 30 30.959 -36.069 2.217 1.00 10.00 H new ATOM 0 HD12 LEU A 30 32.139 -34.737 2.236 1.00 10.00 H new ATOM 0 HD13 LEU A 30 32.576 -36.322 2.917 1.00 10.00 H new ATOM 0 HD21 LEU A 30 29.842 -36.792 4.274 1.00 10.00 H new ATOM 0 HD22 LEU A 30 31.427 -37.129 5.010 1.00 10.00 H new ATOM 0 HD23 LEU A 30 30.268 -36.065 5.842 1.00 10.00 H new ATOM 463 N ALA A 31 33.713 -32.199 6.779 1.00 10.00 N ATOM 464 CA ALA A 31 34.837 -31.559 7.466 1.00 10.00 C ATOM 465 C ALA A 31 34.553 -31.190 8.943 1.00 10.00 C ATOM 466 O ALA A 31 35.472 -30.779 9.656 1.00 10.00 O ATOM 467 CB ALA A 31 35.207 -30.294 6.683 1.00 10.00 C ATOM 0 H ALA A 31 33.300 -31.608 6.057 1.00 10.00 H new ATOM 0 HA ALA A 31 35.654 -32.280 7.496 1.00 10.00 H new ATOM 0 HB1 ALA A 31 36.043 -29.795 7.172 1.00 10.00 H new ATOM 0 HB2 ALA A 31 35.491 -30.565 5.666 1.00 10.00 H new ATOM 0 HB3 ALA A 31 34.350 -29.621 6.653 1.00 10.00 H new ATOM 473 N GLU A 32 33.300 -31.299 9.403 1.00 10.00 N ATOM 474 CA GLU A 32 32.863 -30.893 10.747 1.00 10.00 C ATOM 475 C GLU A 32 32.230 -32.032 11.576 1.00 10.00 C ATOM 476 O GLU A 32 32.322 -32.013 12.805 1.00 10.00 O ATOM 477 CB GLU A 32 31.897 -29.708 10.562 1.00 10.00 C ATOM 478 CG GLU A 32 31.666 -28.855 11.813 1.00 10.00 C ATOM 479 CD GLU A 32 32.930 -28.078 12.236 1.00 10.00 C ATOM 480 OE1 GLU A 32 33.202 -26.993 11.665 1.00 10.00 O ATOM 481 OE2 GLU A 32 33.654 -28.532 13.156 1.00 10.00 O ATOM 0 H GLU A 32 32.542 -31.681 8.837 1.00 10.00 H new ATOM 0 HA GLU A 32 33.736 -30.605 11.333 1.00 10.00 H new ATOM 0 HB2 GLU A 32 32.282 -29.066 9.770 1.00 10.00 H new ATOM 0 HB3 GLU A 32 30.936 -30.093 10.221 1.00 10.00 H new ATOM 0 HG2 GLU A 32 30.856 -28.151 11.625 1.00 10.00 H new ATOM 0 HG3 GLU A 32 31.346 -29.497 12.633 1.00 10.00 H new ATOM 488 N ASP A 33 31.613 -33.035 10.936 1.00 10.00 N ATOM 489 CA ASP A 33 30.967 -34.182 11.607 1.00 10.00 C ATOM 490 C ASP A 33 31.221 -35.554 10.942 1.00 10.00 C ATOM 491 O ASP A 33 30.949 -36.591 11.549 1.00 10.00 O ATOM 492 CB ASP A 33 29.455 -33.915 11.698 1.00 10.00 C ATOM 493 CG ASP A 33 28.768 -34.758 12.791 1.00 10.00 C ATOM 494 OD1 ASP A 33 29.186 -34.683 13.973 1.00 10.00 O ATOM 495 OD2 ASP A 33 27.771 -35.455 12.489 1.00 10.00 O ATOM 0 H ASP A 33 31.545 -33.077 9.919 1.00 10.00 H new ATOM 0 HA ASP A 33 31.423 -34.256 12.594 1.00 10.00 H new ATOM 0 HB2 ASP A 33 29.288 -32.857 11.902 1.00 10.00 H new ATOM 0 HB3 ASP A 33 28.993 -34.130 10.734 1.00 10.00 H new ATOM 500 N GLY A 34 31.758 -35.588 9.715 1.00 10.00 N ATOM 501 CA GLY A 34 32.081 -36.820 8.976 1.00 10.00 C ATOM 502 C GLY A 34 30.892 -37.562 8.344 1.00 10.00 C ATOM 503 O GLY A 34 31.103 -38.552 7.640 1.00 10.00 O ATOM 0 H GLY A 34 31.986 -34.741 9.195 1.00 10.00 H new ATOM 0 HA2 GLY A 34 32.789 -36.570 8.185 1.00 10.00 H new ATOM 0 HA3 GLY A 34 32.590 -37.504 9.655 1.00 10.00 H new ATOM 507 N GLU A 35 29.654 -37.106 8.562 1.00 10.00 N ATOM 508 CA GLU A 35 28.432 -37.726 8.023 1.00 10.00 C ATOM 509 C GLU A 35 27.292 -36.715 7.790 1.00 10.00 C ATOM 510 O GLU A 35 27.300 -35.612 8.341 1.00 10.00 O ATOM 511 CB GLU A 35 27.968 -38.884 8.932 1.00 10.00 C ATOM 512 CG GLU A 35 27.656 -38.469 10.377 1.00 10.00 C ATOM 513 CD GLU A 35 27.263 -39.692 11.229 1.00 10.00 C ATOM 514 OE1 GLU A 35 28.163 -40.380 11.770 1.00 10.00 O ATOM 515 OE2 GLU A 35 26.048 -39.972 11.373 1.00 10.00 O ATOM 0 H GLU A 35 29.466 -36.279 9.129 1.00 10.00 H new ATOM 0 HA GLU A 35 28.689 -38.125 7.042 1.00 10.00 H new ATOM 0 HB2 GLU A 35 27.078 -39.337 8.497 1.00 10.00 H new ATOM 0 HB3 GLU A 35 28.742 -39.651 8.946 1.00 10.00 H new ATOM 0 HG2 GLU A 35 28.526 -37.980 10.815 1.00 10.00 H new ATOM 0 HG3 GLU A 35 26.845 -37.741 10.383 1.00 10.00 H new ATOM 522 N ILE A 36 26.320 -37.092 6.950 1.00 10.00 N ATOM 523 CA ILE A 36 25.171 -36.275 6.526 1.00 10.00 C ATOM 524 C ILE A 36 23.880 -37.106 6.566 1.00 10.00 C ATOM 525 O ILE A 36 23.851 -38.245 6.101 1.00 10.00 O ATOM 526 CB ILE A 36 25.397 -35.741 5.086 1.00 10.00 C ATOM 527 CG1 ILE A 36 26.744 -34.997 4.947 1.00 10.00 C ATOM 528 CG2 ILE A 36 24.239 -34.817 4.654 1.00 10.00 C ATOM 529 CD1 ILE A 36 27.099 -34.631 3.506 1.00 10.00 C ATOM 0 H ILE A 36 26.311 -38.020 6.526 1.00 10.00 H new ATOM 0 HA ILE A 36 25.075 -35.434 7.212 1.00 10.00 H new ATOM 0 HB ILE A 36 25.426 -36.610 4.428 1.00 10.00 H new ATOM 0 HG12 ILE A 36 26.709 -34.087 5.546 1.00 10.00 H new ATOM 0 HG13 ILE A 36 27.537 -35.620 5.360 1.00 10.00 H new ATOM 0 HG21 ILE A 36 24.420 -34.456 3.642 1.00 10.00 H new ATOM 0 HG22 ILE A 36 23.302 -35.373 4.679 1.00 10.00 H new ATOM 0 HG23 ILE A 36 24.176 -33.969 5.336 1.00 10.00 H new ATOM 0 HD11 ILE A 36 28.057 -34.112 3.488 1.00 10.00 H new ATOM 0 HD12 ILE A 36 27.167 -35.539 2.906 1.00 10.00 H new ATOM 0 HD13 ILE A 36 26.326 -33.981 3.095 1.00 10.00 H new ATOM 541 N ASP A 37 22.797 -36.523 7.082 1.00 10.00 N ATOM 542 CA ASP A 37 21.461 -37.121 7.128 1.00 10.00 C ATOM 543 C ASP A 37 20.595 -36.557 5.983 1.00 10.00 C ATOM 544 O ASP A 37 20.473 -35.337 5.834 1.00 10.00 O ATOM 545 CB ASP A 37 20.811 -36.788 8.477 1.00 10.00 C ATOM 546 CG ASP A 37 21.454 -37.546 9.648 1.00 10.00 C ATOM 547 OD1 ASP A 37 21.188 -38.763 9.797 1.00 10.00 O ATOM 548 OD2 ASP A 37 22.195 -36.920 10.443 1.00 10.00 O ATOM 0 H ASP A 37 22.826 -35.590 7.493 1.00 10.00 H new ATOM 0 HA ASP A 37 21.541 -38.202 7.013 1.00 10.00 H new ATOM 0 HB2 ASP A 37 20.888 -35.716 8.658 1.00 10.00 H new ATOM 0 HB3 ASP A 37 19.749 -37.029 8.433 1.00 10.00 H new ATOM 553 N MET A 38 19.986 -37.434 5.179 1.00 10.00 N ATOM 554 CA MET A 38 19.104 -37.075 4.055 1.00 10.00 C ATOM 555 C MET A 38 17.858 -37.975 4.008 1.00 10.00 C ATOM 556 O MET A 38 17.870 -39.089 4.532 1.00 10.00 O ATOM 557 CB MET A 38 19.897 -37.085 2.732 1.00 10.00 C ATOM 558 CG MET A 38 19.100 -36.562 1.524 1.00 10.00 C ATOM 559 SD MET A 38 18.378 -34.908 1.730 1.00 10.00 S ATOM 560 CE MET A 38 17.580 -34.721 0.114 1.00 10.00 C ATOM 0 H MET A 38 20.093 -38.442 5.292 1.00 10.00 H new ATOM 0 HA MET A 38 18.736 -36.060 4.207 1.00 10.00 H new ATOM 0 HB2 MET A 38 20.794 -36.478 2.853 1.00 10.00 H new ATOM 0 HB3 MET A 38 20.226 -38.103 2.525 1.00 10.00 H new ATOM 0 HG2 MET A 38 19.757 -36.548 0.654 1.00 10.00 H new ATOM 0 HG3 MET A 38 18.297 -37.267 1.306 1.00 10.00 H new ATOM 0 HE1 MET A 38 17.573 -33.668 -0.169 1.00 10.00 H new ATOM 0 HE2 MET A 38 18.131 -35.294 -0.632 1.00 10.00 H new ATOM 0 HE3 MET A 38 16.555 -35.089 0.169 1.00 10.00 H new ATOM 570 N HIS A 39 16.782 -37.498 3.378 1.00 10.00 N ATOM 571 CA HIS A 39 15.519 -38.221 3.202 1.00 10.00 C ATOM 572 C HIS A 39 15.206 -38.464 1.716 1.00 10.00 C ATOM 573 O HIS A 39 15.478 -37.618 0.861 1.00 10.00 O ATOM 574 CB HIS A 39 14.386 -37.469 3.916 1.00 10.00 C ATOM 575 CG HIS A 39 14.176 -36.049 3.441 1.00 10.00 C ATOM 576 ND1 HIS A 39 14.665 -34.908 4.040 1.00 10.00 N ATOM 577 CD2 HIS A 39 13.462 -35.651 2.342 1.00 10.00 C ATOM 578 CE1 HIS A 39 14.260 -33.849 3.319 1.00 10.00 C ATOM 579 NE2 HIS A 39 13.519 -34.251 2.270 1.00 10.00 N ATOM 0 H HIS A 39 16.765 -36.567 2.962 1.00 10.00 H new ATOM 0 HA HIS A 39 15.614 -39.207 3.658 1.00 10.00 H new ATOM 0 HB2 HIS A 39 13.458 -38.024 3.781 1.00 10.00 H new ATOM 0 HB3 HIS A 39 14.596 -37.453 4.986 1.00 10.00 H new ATOM 0 HD2 HIS A 39 12.945 -36.301 1.652 1.00 10.00 H new ATOM 0 HE1 HIS A 39 14.496 -32.820 3.549 1.00 10.00 H new ATOM 0 HE2 HIS A 39 13.085 -33.657 1.564 1.00 10.00 H new ATOM 587 N CYS A 40 14.652 -39.639 1.405 1.00 10.00 N ATOM 588 CA CYS A 40 14.272 -40.056 0.058 1.00 10.00 C ATOM 589 C CYS A 40 13.256 -39.080 -0.569 1.00 10.00 C ATOM 590 O CYS A 40 12.215 -38.785 0.022 1.00 10.00 O ATOM 591 CB CYS A 40 13.714 -41.482 0.160 1.00 10.00 C ATOM 592 SG CYS A 40 13.210 -42.089 -1.474 1.00 10.00 S ATOM 0 H CYS A 40 14.450 -40.348 2.110 1.00 10.00 H new ATOM 0 HA CYS A 40 15.138 -40.044 -0.604 1.00 10.00 H new ATOM 0 HB2 CYS A 40 14.469 -42.144 0.583 1.00 10.00 H new ATOM 0 HB3 CYS A 40 12.861 -41.497 0.838 1.00 10.00 H new ATOM 0 HG CYS A 40 12.175 -42.866 -1.348 1.00 10.00 H new ATOM 597 N ASP A 41 13.540 -38.596 -1.780 1.00 10.00 N ATOM 598 CA ASP A 41 12.653 -37.686 -2.523 1.00 10.00 C ATOM 599 C ASP A 41 11.332 -38.358 -2.971 1.00 10.00 C ATOM 600 O ASP A 41 10.376 -37.675 -3.344 1.00 10.00 O ATOM 601 CB ASP A 41 13.426 -37.132 -3.730 1.00 10.00 C ATOM 602 CG ASP A 41 12.666 -36.010 -4.461 1.00 10.00 C ATOM 603 OD1 ASP A 41 12.431 -34.940 -3.849 1.00 10.00 O ATOM 604 OD2 ASP A 41 12.343 -36.173 -5.663 1.00 10.00 O ATOM 0 H ASP A 41 14.399 -38.824 -2.281 1.00 10.00 H new ATOM 0 HA ASP A 41 12.358 -36.876 -1.856 1.00 10.00 H new ATOM 0 HB2 ASP A 41 14.391 -36.752 -3.394 1.00 10.00 H new ATOM 0 HB3 ASP A 41 13.628 -37.943 -4.429 1.00 10.00 H new ATOM 609 N TYR A 42 11.272 -39.694 -2.927 1.00 10.00 N ATOM 610 CA TYR A 42 10.137 -40.513 -3.349 1.00 10.00 C ATOM 611 C TYR A 42 9.291 -41.042 -2.178 1.00 10.00 C ATOM 612 O TYR A 42 8.062 -41.103 -2.292 1.00 10.00 O ATOM 613 CB TYR A 42 10.697 -41.698 -4.148 1.00 10.00 C ATOM 614 CG TYR A 42 11.488 -41.319 -5.390 1.00 10.00 C ATOM 615 CD1 TYR A 42 12.866 -41.027 -5.292 1.00 10.00 C ATOM 616 CD2 TYR A 42 10.844 -41.244 -6.641 1.00 10.00 C ATOM 617 CE1 TYR A 42 13.590 -40.636 -6.435 1.00 10.00 C ATOM 618 CE2 TYR A 42 11.571 -40.876 -7.790 1.00 10.00 C ATOM 619 CZ TYR A 42 12.945 -40.565 -7.690 1.00 10.00 C ATOM 620 OH TYR A 42 13.639 -40.200 -8.804 1.00 10.00 O ATOM 0 H TYR A 42 12.050 -40.256 -2.580 1.00 10.00 H new ATOM 0 HA TYR A 42 9.472 -39.888 -3.945 1.00 10.00 H new ATOM 0 HB2 TYR A 42 11.338 -42.288 -3.493 1.00 10.00 H new ATOM 0 HB3 TYR A 42 9.868 -42.340 -4.445 1.00 10.00 H new ATOM 0 HD1 TYR A 42 13.366 -41.104 -4.338 1.00 10.00 H new ATOM 0 HD2 TYR A 42 9.791 -41.469 -6.719 1.00 10.00 H new ATOM 0 HE1 TYR A 42 14.638 -40.390 -6.352 1.00 10.00 H new ATOM 0 HE2 TYR A 42 11.077 -40.832 -8.749 1.00 10.00 H new ATOM 0 HH TYR A 42 13.040 -40.205 -9.579 1.00 10.00 H new ATOM 630 N CYS A 43 9.940 -41.438 -1.076 1.00 10.00 N ATOM 631 CA CYS A 43 9.312 -42.079 0.090 1.00 10.00 C ATOM 632 C CYS A 43 9.367 -41.283 1.411 1.00 10.00 C ATOM 633 O CYS A 43 8.653 -41.622 2.358 1.00 10.00 O ATOM 634 CB CYS A 43 10.000 -43.439 0.315 1.00 10.00 C ATOM 635 SG CYS A 43 10.147 -44.398 -1.217 1.00 10.00 S ATOM 0 H CYS A 43 10.947 -41.318 -0.966 1.00 10.00 H new ATOM 0 HA CYS A 43 8.253 -42.159 -0.154 1.00 10.00 H new ATOM 0 HB2 CYS A 43 10.992 -43.276 0.736 1.00 10.00 H new ATOM 0 HB3 CYS A 43 9.433 -44.014 1.048 1.00 10.00 H new ATOM 0 HG CYS A 43 10.735 -45.530 -0.966 1.00 10.00 H new ATOM 640 N GLY A 44 10.229 -40.267 1.519 1.00 10.00 N ATOM 641 CA GLY A 44 10.437 -39.488 2.750 1.00 10.00 C ATOM 642 C GLY A 44 11.267 -40.214 3.827 1.00 10.00 C ATOM 643 O GLY A 44 11.591 -39.620 4.857 1.00 10.00 O ATOM 0 H GLY A 44 10.813 -39.955 0.743 1.00 10.00 H new ATOM 0 HA2 GLY A 44 10.934 -38.552 2.494 1.00 10.00 H new ATOM 0 HA3 GLY A 44 9.465 -39.228 3.170 1.00 10.00 H new ATOM 647 N ASN A 45 11.629 -41.484 3.604 1.00 10.00 N ATOM 648 CA ASN A 45 12.441 -42.304 4.507 1.00 10.00 C ATOM 649 C ASN A 45 13.864 -41.731 4.660 1.00 10.00 C ATOM 650 O ASN A 45 14.511 -41.416 3.659 1.00 10.00 O ATOM 651 CB ASN A 45 12.477 -43.737 3.944 1.00 10.00 C ATOM 652 CG ASN A 45 13.390 -44.628 4.766 1.00 10.00 C ATOM 653 OD1 ASN A 45 12.992 -45.231 5.750 1.00 10.00 O ATOM 654 ND2 ASN A 45 14.648 -44.717 4.404 1.00 10.00 N ATOM 0 H ASN A 45 11.354 -41.985 2.759 1.00 10.00 H new ATOM 0 HA ASN A 45 11.998 -42.305 5.503 1.00 10.00 H new ATOM 0 HB2 ASN A 45 11.469 -44.153 3.937 1.00 10.00 H new ATOM 0 HB3 ASN A 45 12.821 -43.715 2.910 1.00 10.00 H new ATOM 0 HD21 ASN A 45 15.295 -45.291 4.945 1.00 10.00 H new ATOM 0 HD22 ASN A 45 14.979 -44.213 3.582 1.00 10.00 H new ATOM 661 N HIS A 46 14.370 -41.628 5.891 1.00 10.00 N ATOM 662 CA HIS A 46 15.712 -41.113 6.177 1.00 10.00 C ATOM 663 C HIS A 46 16.824 -42.176 6.059 1.00 10.00 C ATOM 664 O HIS A 46 16.627 -43.362 6.347 1.00 10.00 O ATOM 665 CB HIS A 46 15.710 -40.440 7.560 1.00 10.00 C ATOM 666 CG HIS A 46 15.206 -41.314 8.684 1.00 10.00 C ATOM 667 ND1 HIS A 46 13.965 -41.243 9.279 1.00 10.00 N ATOM 668 CD2 HIS A 46 15.889 -42.328 9.302 1.00 10.00 C ATOM 669 CE1 HIS A 46 13.899 -42.192 10.229 1.00 10.00 C ATOM 670 NE2 HIS A 46 15.052 -42.885 10.279 1.00 10.00 N ATOM 0 H HIS A 46 13.854 -41.903 6.727 1.00 10.00 H new ATOM 0 HA HIS A 46 15.952 -40.376 5.410 1.00 10.00 H new ATOM 0 HB2 HIS A 46 16.725 -40.118 7.794 1.00 10.00 H new ATOM 0 HB3 HIS A 46 15.094 -39.542 7.512 1.00 10.00 H new ATOM 0 HD2 HIS A 46 16.897 -42.643 9.076 1.00 10.00 H new ATOM 0 HE1 HIS A 46 13.043 -42.373 10.862 1.00 10.00 H new ATOM 0 HE2 HIS A 46 15.273 -43.661 10.903 1.00 10.00 H new ATOM 678 N TYR A 47 18.022 -41.721 5.693 1.00 10.00 N ATOM 679 CA TYR A 47 19.256 -42.481 5.551 1.00 10.00 C ATOM 680 C TYR A 47 20.418 -41.578 5.977 1.00 10.00 C ATOM 681 O TYR A 47 20.326 -40.346 5.924 1.00 10.00 O ATOM 682 CB TYR A 47 19.473 -42.883 4.082 1.00 10.00 C ATOM 683 CG TYR A 47 18.727 -44.106 3.594 1.00 10.00 C ATOM 684 CD1 TYR A 47 19.196 -45.391 3.934 1.00 10.00 C ATOM 685 CD2 TYR A 47 17.645 -43.963 2.706 1.00 10.00 C ATOM 686 CE1 TYR A 47 18.599 -46.534 3.369 1.00 10.00 C ATOM 687 CE2 TYR A 47 17.054 -45.104 2.128 1.00 10.00 C ATOM 688 CZ TYR A 47 17.531 -46.392 2.456 1.00 10.00 C ATOM 689 OH TYR A 47 16.973 -47.494 1.885 1.00 10.00 O ATOM 0 H TYR A 47 18.162 -40.735 5.472 1.00 10.00 H new ATOM 0 HA TYR A 47 19.201 -43.381 6.164 1.00 10.00 H new ATOM 0 HB2 TYR A 47 19.190 -42.039 3.453 1.00 10.00 H new ATOM 0 HB3 TYR A 47 20.539 -43.051 3.929 1.00 10.00 H new ATOM 0 HD1 TYR A 47 20.015 -45.499 4.629 1.00 10.00 H new ATOM 0 HD2 TYR A 47 17.268 -42.979 2.468 1.00 10.00 H new ATOM 0 HE1 TYR A 47 18.957 -47.518 3.633 1.00 10.00 H new ATOM 0 HE2 TYR A 47 16.235 -44.993 1.433 1.00 10.00 H new ATOM 0 HH TYR A 47 16.250 -47.220 1.283 1.00 10.00 H new ATOM 699 N LEU A 48 21.531 -42.205 6.350 1.00 10.00 N ATOM 700 CA LEU A 48 22.767 -41.526 6.718 1.00 10.00 C ATOM 701 C LEU A 48 23.867 -41.852 5.700 1.00 10.00 C ATOM 702 O LEU A 48 23.940 -42.978 5.200 1.00 10.00 O ATOM 703 CB LEU A 48 23.159 -41.829 8.179 1.00 10.00 C ATOM 704 CG LEU A 48 23.807 -43.200 8.476 1.00 10.00 C ATOM 705 CD1 LEU A 48 24.183 -43.271 9.956 1.00 10.00 C ATOM 706 CD2 LEU A 48 22.900 -44.398 8.176 1.00 10.00 C ATOM 0 H LEU A 48 21.598 -43.221 6.405 1.00 10.00 H new ATOM 0 HA LEU A 48 22.615 -40.447 6.680 1.00 10.00 H new ATOM 0 HB2 LEU A 48 23.849 -41.053 8.510 1.00 10.00 H new ATOM 0 HB3 LEU A 48 22.262 -41.741 8.793 1.00 10.00 H new ATOM 0 HG LEU A 48 24.674 -43.267 7.819 1.00 10.00 H new ATOM 0 HD11 LEU A 48 24.641 -44.237 10.169 1.00 10.00 H new ATOM 0 HD12 LEU A 48 24.890 -42.475 10.190 1.00 10.00 H new ATOM 0 HD13 LEU A 48 23.287 -43.152 10.565 1.00 10.00 H new ATOM 0 HD21 LEU A 48 23.428 -45.322 8.411 1.00 10.00 H new ATOM 0 HD22 LEU A 48 21.997 -44.332 8.783 1.00 10.00 H new ATOM 0 HD23 LEU A 48 22.629 -44.394 7.120 1.00 10.00 H new ATOM 718 N PHE A 49 24.706 -40.871 5.378 1.00 10.00 N ATOM 719 CA PHE A 49 25.783 -40.976 4.390 1.00 10.00 C ATOM 720 C PHE A 49 27.112 -40.506 4.985 1.00 10.00 C ATOM 721 O PHE A 49 27.145 -39.598 5.814 1.00 10.00 O ATOM 722 CB PHE A 49 25.397 -40.170 3.142 1.00 10.00 C ATOM 723 CG PHE A 49 24.148 -40.687 2.454 1.00 10.00 C ATOM 724 CD1 PHE A 49 22.877 -40.206 2.825 1.00 10.00 C ATOM 725 CD2 PHE A 49 24.253 -41.689 1.472 1.00 10.00 C ATOM 726 CE1 PHE A 49 21.721 -40.733 2.223 1.00 10.00 C ATOM 727 CE2 PHE A 49 23.099 -42.212 0.868 1.00 10.00 C ATOM 728 CZ PHE A 49 21.831 -41.737 1.245 1.00 10.00 C ATOM 0 H PHE A 49 24.655 -39.949 5.811 1.00 10.00 H new ATOM 0 HA PHE A 49 25.919 -42.018 4.102 1.00 10.00 H new ATOM 0 HB2 PHE A 49 25.243 -39.129 3.424 1.00 10.00 H new ATOM 0 HB3 PHE A 49 26.227 -40.189 2.435 1.00 10.00 H new ATOM 0 HD1 PHE A 49 22.791 -39.432 3.573 1.00 10.00 H new ATOM 0 HD2 PHE A 49 25.226 -42.057 1.182 1.00 10.00 H new ATOM 0 HE1 PHE A 49 20.747 -40.366 2.512 1.00 10.00 H new ATOM 0 HE2 PHE A 49 23.185 -42.980 0.113 1.00 10.00 H new ATOM 0 HZ PHE A 49 20.943 -42.143 0.784 1.00 10.00 H new ATOM 738 N ASN A 50 28.206 -41.142 4.572 1.00 10.00 N ATOM 739 CA ASN A 50 29.563 -40.919 5.083 1.00 10.00 C ATOM 740 C ASN A 50 30.476 -40.313 4.007 1.00 10.00 C ATOM 741 O ASN A 50 30.117 -40.275 2.830 1.00 10.00 O ATOM 742 CB ASN A 50 30.123 -42.279 5.553 1.00 10.00 C ATOM 743 CG ASN A 50 29.200 -43.050 6.488 1.00 10.00 C ATOM 744 OD1 ASN A 50 29.269 -42.935 7.704 1.00 10.00 O ATOM 745 ND2 ASN A 50 28.307 -43.856 5.954 1.00 10.00 N ATOM 0 H ASN A 50 28.174 -41.855 3.844 1.00 10.00 H new ATOM 0 HA ASN A 50 29.527 -40.210 5.910 1.00 10.00 H new ATOM 0 HB2 ASN A 50 30.331 -42.895 4.678 1.00 10.00 H new ATOM 0 HB3 ASN A 50 31.074 -42.112 6.058 1.00 10.00 H new ATOM 0 HD21 ASN A 50 27.673 -44.384 6.554 1.00 10.00 H new ATOM 0 HD22 ASN A 50 28.249 -43.953 4.940 1.00 10.00 H new ATOM 752 N ALA A 51 31.691 -39.894 4.372 1.00 10.00 N ATOM 753 CA ALA A 51 32.653 -39.343 3.408 1.00 10.00 C ATOM 754 C ALA A 51 32.929 -40.307 2.232 1.00 10.00 C ATOM 755 O ALA A 51 33.042 -39.872 1.085 1.00 10.00 O ATOM 756 CB ALA A 51 33.937 -38.961 4.154 1.00 10.00 C ATOM 0 H ALA A 51 32.035 -39.925 5.332 1.00 10.00 H new ATOM 0 HA ALA A 51 32.223 -38.450 2.953 1.00 10.00 H new ATOM 0 HB1 ALA A 51 34.659 -38.550 3.448 1.00 10.00 H new ATOM 0 HB2 ALA A 51 33.708 -38.214 4.914 1.00 10.00 H new ATOM 0 HB3 ALA A 51 34.358 -39.846 4.630 1.00 10.00 H new ATOM 762 N MET A 52 32.960 -41.619 2.504 1.00 10.00 N ATOM 763 CA MET A 52 33.112 -42.669 1.487 1.00 10.00 C ATOM 764 C MET A 52 31.905 -42.734 0.535 1.00 10.00 C ATOM 765 O MET A 52 32.081 -42.934 -0.666 1.00 10.00 O ATOM 766 CB MET A 52 33.317 -44.037 2.160 1.00 10.00 C ATOM 767 CG MET A 52 34.615 -44.124 2.974 1.00 10.00 C ATOM 768 SD MET A 52 36.139 -43.918 2.009 1.00 10.00 S ATOM 769 CE MET A 52 37.361 -44.119 3.335 1.00 10.00 C ATOM 0 H MET A 52 32.879 -41.986 3.452 1.00 10.00 H new ATOM 0 HA MET A 52 33.990 -42.416 0.893 1.00 10.00 H new ATOM 0 HB2 MET A 52 32.471 -44.242 2.816 1.00 10.00 H new ATOM 0 HB3 MET A 52 33.323 -44.813 1.395 1.00 10.00 H new ATOM 0 HG2 MET A 52 34.590 -43.362 3.753 1.00 10.00 H new ATOM 0 HG3 MET A 52 34.648 -45.091 3.475 1.00 10.00 H new ATOM 0 HE1 MET A 52 38.365 -44.022 2.922 1.00 10.00 H new ATOM 0 HE2 MET A 52 37.205 -43.352 4.093 1.00 10.00 H new ATOM 0 HE3 MET A 52 37.248 -45.104 3.787 1.00 10.00 H new ATOM 779 N ASP A 53 30.681 -42.528 1.037 1.00 10.00 N ATOM 780 CA ASP A 53 29.472 -42.512 0.208 1.00 10.00 C ATOM 781 C ASP A 53 29.477 -41.300 -0.733 1.00 10.00 C ATOM 782 O ASP A 53 29.274 -41.456 -1.936 1.00 10.00 O ATOM 783 CB ASP A 53 28.217 -42.455 1.086 1.00 10.00 C ATOM 784 CG ASP A 53 27.970 -43.725 1.900 1.00 10.00 C ATOM 785 OD1 ASP A 53 27.780 -44.811 1.309 1.00 10.00 O ATOM 786 OD2 ASP A 53 27.834 -43.620 3.142 1.00 10.00 O ATOM 0 H ASP A 53 30.502 -42.368 2.028 1.00 10.00 H new ATOM 0 HA ASP A 53 29.462 -43.429 -0.382 1.00 10.00 H new ATOM 0 HB2 ASP A 53 28.301 -41.609 1.768 1.00 10.00 H new ATOM 0 HB3 ASP A 53 27.350 -42.268 0.452 1.00 10.00 H new ATOM 791 N ILE A 54 29.761 -40.098 -0.213 1.00 10.00 N ATOM 792 CA ILE A 54 29.854 -38.871 -1.011 1.00 10.00 C ATOM 793 C ILE A 54 30.951 -39.012 -2.079 1.00 10.00 C ATOM 794 O ILE A 54 30.746 -38.622 -3.229 1.00 10.00 O ATOM 795 CB ILE A 54 30.062 -37.663 -0.068 1.00 10.00 C ATOM 796 CG1 ILE A 54 28.737 -37.179 0.564 1.00 10.00 C ATOM 797 CG2 ILE A 54 30.683 -36.458 -0.795 1.00 10.00 C ATOM 798 CD1 ILE A 54 28.040 -38.128 1.542 1.00 10.00 C ATOM 0 H ILE A 54 29.934 -39.950 0.781 1.00 10.00 H new ATOM 0 HA ILE A 54 28.925 -38.697 -1.555 1.00 10.00 H new ATOM 0 HB ILE A 54 30.738 -38.026 0.706 1.00 10.00 H new ATOM 0 HG12 ILE A 54 28.934 -36.242 1.085 1.00 10.00 H new ATOM 0 HG13 ILE A 54 28.040 -36.954 -0.243 1.00 10.00 H new ATOM 0 HG21 ILE A 54 30.810 -35.635 -0.092 1.00 10.00 H new ATOM 0 HG22 ILE A 54 31.654 -36.740 -1.203 1.00 10.00 H new ATOM 0 HG23 ILE A 54 30.026 -36.144 -1.606 1.00 10.00 H new ATOM 0 HD11 ILE A 54 27.125 -37.664 1.909 1.00 10.00 H new ATOM 0 HD12 ILE A 54 27.795 -39.060 1.033 1.00 10.00 H new ATOM 0 HD13 ILE A 54 28.703 -38.337 2.382 1.00 10.00 H new ATOM 810 N ALA A 55 32.097 -39.606 -1.731 1.00 10.00 N ATOM 811 CA ALA A 55 33.189 -39.855 -2.673 1.00 10.00 C ATOM 812 C ALA A 55 32.752 -40.759 -3.845 1.00 10.00 C ATOM 813 O ALA A 55 33.110 -40.490 -4.993 1.00 10.00 O ATOM 814 CB ALA A 55 34.381 -40.445 -1.913 1.00 10.00 C ATOM 0 H ALA A 55 32.292 -39.928 -0.783 1.00 10.00 H new ATOM 0 HA ALA A 55 33.486 -38.908 -3.123 1.00 10.00 H new ATOM 0 HB1 ALA A 55 35.199 -40.633 -2.609 1.00 10.00 H new ATOM 0 HB2 ALA A 55 34.710 -39.741 -1.149 1.00 10.00 H new ATOM 0 HB3 ALA A 55 34.084 -41.381 -1.440 1.00 10.00 H new ATOM 820 N GLU A 56 31.943 -41.792 -3.589 1.00 10.00 N ATOM 821 CA GLU A 56 31.411 -42.673 -4.638 1.00 10.00 C ATOM 822 C GLU A 56 30.340 -41.958 -5.477 1.00 10.00 C ATOM 823 O GLU A 56 30.364 -42.053 -6.703 1.00 10.00 O ATOM 824 CB GLU A 56 30.836 -43.960 -4.021 1.00 10.00 C ATOM 825 CG GLU A 56 31.914 -44.925 -3.503 1.00 10.00 C ATOM 826 CD GLU A 56 32.691 -45.597 -4.653 1.00 10.00 C ATOM 827 OE1 GLU A 56 32.218 -46.629 -5.189 1.00 10.00 O ATOM 828 OE2 GLU A 56 33.785 -45.108 -5.025 1.00 10.00 O ATOM 0 H GLU A 56 31.637 -42.043 -2.649 1.00 10.00 H new ATOM 0 HA GLU A 56 32.235 -42.939 -5.300 1.00 10.00 H new ATOM 0 HB2 GLU A 56 30.172 -43.694 -3.199 1.00 10.00 H new ATOM 0 HB3 GLU A 56 30.229 -44.472 -4.768 1.00 10.00 H new ATOM 0 HG2 GLU A 56 32.610 -44.381 -2.865 1.00 10.00 H new ATOM 0 HG3 GLU A 56 31.447 -45.692 -2.885 1.00 10.00 H new ATOM 835 N ILE A 57 29.431 -41.204 -4.844 1.00 10.00 N ATOM 836 CA ILE A 57 28.372 -40.431 -5.522 1.00 10.00 C ATOM 837 C ILE A 57 28.977 -39.416 -6.509 1.00 10.00 C ATOM 838 O ILE A 57 28.530 -39.318 -7.652 1.00 10.00 O ATOM 839 CB ILE A 57 27.483 -39.745 -4.451 1.00 10.00 C ATOM 840 CG1 ILE A 57 26.629 -40.790 -3.693 1.00 10.00 C ATOM 841 CG2 ILE A 57 26.555 -38.672 -5.054 1.00 10.00 C ATOM 842 CD1 ILE A 57 26.066 -40.273 -2.359 1.00 10.00 C ATOM 0 H ILE A 57 29.407 -41.110 -3.829 1.00 10.00 H new ATOM 0 HA ILE A 57 27.748 -41.102 -6.112 1.00 10.00 H new ATOM 0 HB ILE A 57 28.164 -39.251 -3.757 1.00 10.00 H new ATOM 0 HG12 ILE A 57 25.802 -41.102 -4.330 1.00 10.00 H new ATOM 0 HG13 ILE A 57 27.237 -41.675 -3.503 1.00 10.00 H new ATOM 0 HG21 ILE A 57 25.955 -38.223 -4.262 1.00 10.00 H new ATOM 0 HG22 ILE A 57 27.156 -37.900 -5.536 1.00 10.00 H new ATOM 0 HG23 ILE A 57 25.897 -39.132 -5.791 1.00 10.00 H new ATOM 0 HD11 ILE A 57 25.478 -41.058 -1.883 1.00 10.00 H new ATOM 0 HD12 ILE A 57 26.888 -39.987 -1.703 1.00 10.00 H new ATOM 0 HD13 ILE A 57 25.431 -39.406 -2.543 1.00 10.00 H new