USER MOD reduce.3.24.130724 H: found=0, std=0, add=229, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 229 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 263 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 266 MET CE :methyl 157:sc= -0.0746 (180deg=-0.836) USER MOD Single : A 267 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 270 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 271 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 272 CYS SG : rot 180:sc= 0 USER MOD Single : A 275 GLN : amide:sc= -0.105 X(o=-0.11,f=-0.1) USER MOD Single : A 277 THR OG1 : rot 180:sc= 0.0341 USER MOD Single : A 278 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 279 SER OG : rot -19:sc= 1.96 USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 281 LYS NZ :NH3+ -120:sc= 0.842 (180deg=-0.323) USER MOD Single : A 282 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 283 SER OG : rot 180:sc= 0 USER MOD Single : A 285 THR OG1 : rot -63:sc= 0.69 USER MOD ----------------------------------------------------------------- ATOM 10 N PRO A 259 -12.486 -20.142 5.362 1.00 0.00 N ATOM 11 CA PRO A 259 -11.596 -19.558 4.310 1.00 0.00 C ATOM 12 C PRO A 259 -10.283 -20.335 4.174 1.00 0.00 C ATOM 13 O PRO A 259 -9.296 -20.035 4.856 1.00 0.00 O ATOM 14 CB PRO A 259 -11.362 -18.124 4.808 1.00 0.00 C ATOM 15 CG PRO A 259 -12.155 -17.907 6.101 1.00 0.00 C ATOM 16 CD PRO A 259 -12.859 -19.211 6.480 1.00 0.00 C ATOM 0 HA PRO A 259 -12.036 -19.596 3.314 1.00 0.00 H new ATOM 0 HB2 PRO A 259 -10.300 -17.956 4.986 1.00 0.00 H new ATOM 0 HB3 PRO A 259 -11.676 -17.407 4.050 1.00 0.00 H new ATOM 0 HG2 PRO A 259 -11.488 -17.593 6.903 1.00 0.00 H new ATOM 0 HG3 PRO A 259 -12.886 -17.110 5.965 1.00 0.00 H new ATOM 0 HD2 PRO A 259 -12.520 -19.586 7.446 1.00 0.00 H new ATOM 0 HD3 PRO A 259 -13.939 -19.079 6.551 1.00 0.00 H new ATOM 24 N ARG A 260 -10.265 -21.335 3.318 1.00 0.00 N ATOM 25 CA ARG A 260 -9.038 -22.161 3.127 1.00 0.00 C ATOM 26 C ARG A 260 -8.036 -21.412 2.234 1.00 0.00 C ATOM 27 O ARG A 260 -8.177 -20.206 2.007 1.00 0.00 O ATOM 28 CB ARG A 260 -9.431 -23.548 2.549 1.00 0.00 C ATOM 29 CG ARG A 260 -9.789 -23.495 1.036 1.00 0.00 C ATOM 30 CD ARG A 260 -11.303 -23.383 0.829 1.00 0.00 C ATOM 31 NE ARG A 260 -11.617 -23.369 -0.639 1.00 0.00 N ATOM 32 CZ ARG A 260 -12.842 -23.581 -1.097 1.00 0.00 C ATOM 33 NH1 ARG A 260 -13.051 -23.546 -2.385 1.00 0.00 N ATOM 34 NH2 ARG A 260 -13.854 -23.827 -0.293 1.00 0.00 N ATOM 0 H ARG A 260 -11.059 -21.612 2.741 1.00 0.00 H new ATOM 0 HA ARG A 260 -8.546 -22.333 4.084 1.00 0.00 H new ATOM 0 HB2 ARG A 260 -8.606 -24.245 2.698 1.00 0.00 H new ATOM 0 HB3 ARG A 260 -10.283 -23.939 3.105 1.00 0.00 H new ATOM 0 HG2 ARG A 260 -9.292 -22.644 0.571 1.00 0.00 H new ATOM 0 HG3 ARG A 260 -9.417 -24.391 0.540 1.00 0.00 H new ATOM 0 HD2 ARG A 260 -11.808 -24.221 1.310 1.00 0.00 H new ATOM 0 HD3 ARG A 260 -11.677 -22.473 1.299 1.00 0.00 H new ATOM 0 HE ARG A 260 -10.864 -23.191 -1.304 1.00 0.00 H new ATOM 0 HH11 ARG A 260 -12.277 -23.358 -3.022 1.00 0.00 H new ATOM 0 HH12 ARG A 260 -13.988 -23.707 -2.754 1.00 0.00 H new ATOM 0 HH21 ARG A 260 -13.708 -23.859 0.716 1.00 0.00 H new ATOM 0 HH22 ARG A 260 -14.785 -23.986 -0.679 1.00 0.00 H new ATOM 48 N LEU A 261 -7.038 -22.107 1.724 1.00 0.00 N ATOM 49 CA LEU A 261 -6.018 -21.464 0.837 1.00 0.00 C ATOM 50 C LEU A 261 -6.036 -22.148 -0.524 1.00 0.00 C ATOM 51 O LEU A 261 -6.574 -23.251 -0.665 1.00 0.00 O ATOM 52 CB LEU A 261 -4.611 -21.568 1.462 1.00 0.00 C ATOM 53 CG LEU A 261 -4.244 -23.040 1.780 1.00 0.00 C ATOM 54 CD1 LEU A 261 -3.678 -23.738 0.529 1.00 0.00 C ATOM 55 CD2 LEU A 261 -3.190 -23.074 2.897 1.00 0.00 C ATOM 0 H LEU A 261 -6.890 -23.103 1.889 1.00 0.00 H new ATOM 0 HA LEU A 261 -6.262 -20.408 0.721 1.00 0.00 H new ATOM 0 HB2 LEU A 261 -3.875 -21.147 0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 261 -4.572 -20.975 2.376 1.00 0.00 H new ATOM 0 HG LEU A 261 -5.145 -23.563 2.100 1.00 0.00 H new ATOM 0 HD11 LEU A 261 -3.426 -24.770 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 261 -4.425 -23.723 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 261 -2.782 -23.215 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 261 -2.931 -24.109 3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 261 -2.298 -22.539 2.572 1.00 0.00 H new ATOM 0 HD23 LEU A 261 -3.592 -22.598 3.791 1.00 0.00 H new ATOM 67 N ARG A 262 -5.447 -21.524 -1.520 1.00 0.00 N ATOM 68 CA ARG A 262 -5.400 -22.130 -2.888 1.00 0.00 C ATOM 69 C ARG A 262 -3.944 -22.446 -3.228 1.00 0.00 C ATOM 70 O ARG A 262 -3.051 -22.221 -2.403 1.00 0.00 O ATOM 71 CB ARG A 262 -6.003 -21.158 -3.920 1.00 0.00 C ATOM 72 CG ARG A 262 -6.499 -21.928 -5.175 1.00 0.00 C ATOM 73 CD ARG A 262 -7.832 -21.356 -5.695 1.00 0.00 C ATOM 74 NE ARG A 262 -8.976 -22.211 -5.228 1.00 0.00 N ATOM 75 CZ ARG A 262 -10.233 -21.792 -5.278 1.00 0.00 C ATOM 76 NH1 ARG A 262 -11.182 -22.584 -4.863 1.00 0.00 N ATOM 77 NH2 ARG A 262 -10.550 -20.599 -5.734 1.00 0.00 N ATOM 0 H ARG A 262 -4.994 -20.614 -1.441 1.00 0.00 H new ATOM 0 HA ARG A 262 -5.987 -23.048 -2.912 1.00 0.00 H new ATOM 0 HB2 ARG A 262 -6.832 -20.612 -3.471 1.00 0.00 H new ATOM 0 HB3 ARG A 262 -5.256 -20.420 -4.212 1.00 0.00 H new ATOM 0 HG2 ARG A 262 -5.745 -21.870 -5.960 1.00 0.00 H new ATOM 0 HG3 ARG A 262 -6.625 -22.983 -4.931 1.00 0.00 H new ATOM 0 HD2 ARG A 262 -7.962 -20.334 -5.339 1.00 0.00 H new ATOM 0 HD3 ARG A 262 -7.819 -21.315 -6.784 1.00 0.00 H new ATOM 0 HE ARG A 262 -8.780 -23.142 -4.861 1.00 0.00 H new ATOM 0 HH11 ARG A 262 -10.953 -23.512 -4.506 1.00 0.00 H new ATOM 0 HH12 ARG A 262 -12.154 -22.276 -4.895 1.00 0.00 H new ATOM 0 HH21 ARG A 262 -9.819 -19.968 -6.062 1.00 0.00 H new ATOM 0 HH22 ARG A 262 -11.527 -20.306 -5.760 1.00 0.00 H new ATOM 91 N LYS A 263 -3.685 -22.973 -4.407 1.00 0.00 N ATOM 92 CA LYS A 263 -2.290 -23.323 -4.811 1.00 0.00 C ATOM 93 C LYS A 263 -1.369 -22.114 -4.627 1.00 0.00 C ATOM 94 O LYS A 263 -1.815 -21.033 -4.228 1.00 0.00 O ATOM 95 CB LYS A 263 -2.265 -23.801 -6.272 1.00 0.00 C ATOM 96 CG LYS A 263 -2.820 -22.711 -7.204 1.00 0.00 C ATOM 97 CD LYS A 263 -2.741 -23.174 -8.663 1.00 0.00 C ATOM 98 CE LYS A 263 -1.289 -23.114 -9.152 1.00 0.00 C ATOM 99 NZ LYS A 263 -1.255 -23.290 -10.632 1.00 0.00 N ATOM 0 H LYS A 263 -4.394 -23.176 -5.111 1.00 0.00 H new ATOM 0 HA LYS A 263 -1.931 -24.133 -4.176 1.00 0.00 H new ATOM 0 HB2 LYS A 263 -1.244 -24.051 -6.562 1.00 0.00 H new ATOM 0 HB3 LYS A 263 -2.857 -24.711 -6.374 1.00 0.00 H new ATOM 0 HG2 LYS A 263 -3.854 -22.489 -6.941 1.00 0.00 H new ATOM 0 HG3 LYS A 263 -2.253 -21.789 -7.076 1.00 0.00 H new ATOM 0 HD2 LYS A 263 -3.122 -24.191 -8.752 1.00 0.00 H new ATOM 0 HD3 LYS A 263 -3.371 -22.542 -9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 263 -0.841 -22.159 -8.878 1.00 0.00 H new ATOM 0 HE3 LYS A 263 -0.699 -23.893 -8.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 263 -0.270 -23.249 -10.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 263 -1.667 -24.212 -10.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 263 -1.804 -22.532 -11.084 1.00 0.00 H new ATOM 113 N GLY A 264 -0.100 -22.291 -4.900 1.00 0.00 N ATOM 114 CA GLY A 264 0.895 -21.186 -4.740 1.00 0.00 C ATOM 115 C GLY A 264 1.918 -21.569 -3.665 1.00 0.00 C ATOM 116 O GLY A 264 2.542 -20.695 -3.055 1.00 0.00 O ATOM 0 H GLY A 264 0.295 -23.171 -5.233 1.00 0.00 H new ATOM 0 HA2 GLY A 264 1.401 -20.998 -5.687 1.00 0.00 H new ATOM 0 HA3 GLY A 264 0.387 -20.263 -4.461 1.00 0.00 H new ATOM 120 N ARG A 265 2.091 -22.854 -3.420 1.00 0.00 N ATOM 121 CA ARG A 265 3.061 -23.322 -2.384 1.00 0.00 C ATOM 122 C ARG A 265 4.464 -22.861 -2.747 1.00 0.00 C ATOM 123 O ARG A 265 4.757 -22.587 -3.912 1.00 0.00 O ATOM 124 CB ARG A 265 3.031 -24.845 -2.285 1.00 0.00 C ATOM 125 CG ARG A 265 1.687 -25.285 -1.709 1.00 0.00 C ATOM 126 CD ARG A 265 1.723 -26.781 -1.400 1.00 0.00 C ATOM 127 NE ARG A 265 0.554 -27.146 -0.538 1.00 0.00 N ATOM 128 CZ ARG A 265 0.192 -28.406 -0.338 1.00 0.00 C ATOM 129 NH1 ARG A 265 -0.834 -28.658 0.429 1.00 0.00 N ATOM 130 NH2 ARG A 265 0.837 -29.411 -0.889 1.00 0.00 N ATOM 0 H ARG A 265 1.592 -23.601 -3.903 1.00 0.00 H new ATOM 0 HA ARG A 265 2.779 -22.898 -1.420 1.00 0.00 H new ATOM 0 HB2 ARG A 265 3.181 -25.288 -3.269 1.00 0.00 H new ATOM 0 HB3 ARG A 265 3.845 -25.196 -1.650 1.00 0.00 H new ATOM 0 HG2 ARG A 265 1.468 -24.722 -0.802 1.00 0.00 H new ATOM 0 HG3 ARG A 265 0.888 -25.070 -2.419 1.00 0.00 H new ATOM 0 HD2 ARG A 265 1.697 -27.354 -2.327 1.00 0.00 H new ATOM 0 HD3 ARG A 265 2.654 -27.035 -0.894 1.00 0.00 H new ATOM 0 HE ARG A 265 0.019 -26.402 -0.090 1.00 0.00 H new ATOM 0 HH11 ARG A 265 -1.345 -27.891 0.865 1.00 0.00 H new ATOM 0 HH12 ARG A 265 -1.124 -29.622 0.592 1.00 0.00 H new ATOM 0 HH21 ARG A 265 1.641 -29.232 -1.490 1.00 0.00 H new ATOM 0 HH22 ARG A 265 0.533 -30.369 -0.715 1.00 0.00 H new ATOM 144 N MET A 266 5.327 -22.769 -1.763 1.00 0.00 N ATOM 145 CA MET A 266 6.736 -22.315 -1.994 1.00 0.00 C ATOM 146 C MET A 266 7.381 -23.096 -3.141 1.00 0.00 C ATOM 147 O MET A 266 7.258 -24.322 -3.225 1.00 0.00 O ATOM 148 CB MET A 266 7.561 -22.522 -0.722 1.00 0.00 C ATOM 149 CG MET A 266 7.038 -21.599 0.380 1.00 0.00 C ATOM 150 SD MET A 266 7.870 -21.989 1.940 1.00 0.00 S ATOM 151 CE MET A 266 9.513 -21.390 1.477 1.00 0.00 C ATOM 0 H MET A 266 5.110 -22.994 -0.792 1.00 0.00 H new ATOM 0 HA MET A 266 6.713 -21.257 -2.257 1.00 0.00 H new ATOM 0 HB2 MET A 266 7.499 -23.562 -0.400 1.00 0.00 H new ATOM 0 HB3 MET A 266 8.612 -22.312 -0.919 1.00 0.00 H new ATOM 0 HG2 MET A 266 7.215 -20.558 0.111 1.00 0.00 H new ATOM 0 HG3 MET A 266 5.960 -21.721 0.490 1.00 0.00 H new ATOM 0 HE1 MET A 266 10.080 -21.150 2.377 1.00 0.00 H new ATOM 0 HE2 MET A 266 10.036 -22.162 0.913 1.00 0.00 H new ATOM 0 HE3 MET A 266 9.414 -20.496 0.861 1.00 0.00 H new ATOM 161 N MET A 267 8.086 -22.399 -4.003 1.00 0.00 N ATOM 162 CA MET A 267 8.793 -23.051 -5.157 1.00 0.00 C ATOM 163 C MET A 267 10.281 -22.677 -5.024 1.00 0.00 C ATOM 164 O MET A 267 10.739 -22.412 -3.909 1.00 0.00 O ATOM 165 CB MET A 267 8.230 -22.558 -6.519 1.00 0.00 C ATOM 166 CG MET A 267 6.695 -22.501 -6.517 1.00 0.00 C ATOM 167 SD MET A 267 6.153 -20.941 -5.776 1.00 0.00 S ATOM 168 CE MET A 267 6.210 -19.939 -7.282 1.00 0.00 C ATOM 0 H MET A 267 8.204 -21.387 -3.955 1.00 0.00 H new ATOM 0 HA MET A 267 8.648 -24.131 -5.133 1.00 0.00 H new ATOM 0 HB2 MET A 267 8.630 -21.568 -6.740 1.00 0.00 H new ATOM 0 HB3 MET A 267 8.568 -23.223 -7.314 1.00 0.00 H new ATOM 0 HG2 MET A 267 6.316 -22.584 -7.535 1.00 0.00 H new ATOM 0 HG3 MET A 267 6.289 -23.343 -5.956 1.00 0.00 H new ATOM 0 HE1 MET A 267 5.907 -18.918 -7.051 1.00 0.00 H new ATOM 0 HE2 MET A 267 7.225 -19.936 -7.679 1.00 0.00 H new ATOM 0 HE3 MET A 267 5.532 -20.359 -8.025 1.00 0.00 H new ATOM 178 N ASP A 268 11.037 -22.629 -6.111 1.00 0.00 N ATOM 179 CA ASP A 268 12.482 -22.237 -6.019 1.00 0.00 C ATOM 180 C ASP A 268 12.564 -20.798 -5.498 1.00 0.00 C ATOM 181 O ASP A 268 12.538 -19.840 -6.283 1.00 0.00 O ATOM 182 CB ASP A 268 13.160 -22.325 -7.396 1.00 0.00 C ATOM 183 CG ASP A 268 12.317 -21.610 -8.448 1.00 0.00 C ATOM 184 OD1 ASP A 268 11.356 -22.203 -8.910 1.00 0.00 O ATOM 185 OD2 ASP A 268 12.643 -20.480 -8.774 1.00 0.00 O ATOM 0 H ASP A 268 10.709 -22.845 -7.052 1.00 0.00 H new ATOM 0 HA ASP A 268 12.997 -22.918 -5.341 1.00 0.00 H new ATOM 0 HB2 ASP A 268 14.153 -21.877 -7.350 1.00 0.00 H new ATOM 0 HB3 ASP A 268 13.295 -23.370 -7.677 1.00 0.00 H new ATOM 190 N VAL A 269 12.652 -20.628 -4.196 1.00 0.00 N ATOM 191 CA VAL A 269 12.728 -19.254 -3.604 1.00 0.00 C ATOM 192 C VAL A 269 14.140 -19.016 -3.071 1.00 0.00 C ATOM 193 O VAL A 269 14.715 -17.942 -3.274 1.00 0.00 O ATOM 194 CB VAL A 269 11.684 -19.087 -2.481 1.00 0.00 C ATOM 195 CG1 VAL A 269 10.276 -19.269 -3.060 1.00 0.00 C ATOM 196 CG2 VAL A 269 11.911 -20.128 -1.374 1.00 0.00 C ATOM 0 H VAL A 269 12.674 -21.388 -3.516 1.00 0.00 H new ATOM 0 HA VAL A 269 12.506 -18.516 -4.375 1.00 0.00 H new ATOM 0 HB VAL A 269 11.787 -18.089 -2.056 1.00 0.00 H new ATOM 0 HG11 VAL A 269 9.538 -19.151 -2.266 1.00 0.00 H new ATOM 0 HG12 VAL A 269 10.101 -18.520 -3.833 1.00 0.00 H new ATOM 0 HG13 VAL A 269 10.187 -20.265 -3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 269 11.165 -19.995 -0.591 1.00 0.00 H new ATOM 0 HG22 VAL A 269 11.822 -21.130 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 269 12.908 -19.999 -0.952 1.00 0.00 H new ATOM 206 N LYS A 270 14.705 -20.001 -2.410 1.00 0.00 N ATOM 207 CA LYS A 270 16.097 -19.868 -1.863 1.00 0.00 C ATOM 208 C LYS A 270 17.132 -20.206 -2.947 1.00 0.00 C ATOM 209 O LYS A 270 18.331 -19.985 -2.747 1.00 0.00 O ATOM 210 CB LYS A 270 16.297 -20.817 -0.678 1.00 0.00 C ATOM 211 CG LYS A 270 15.513 -20.316 0.536 1.00 0.00 C ATOM 212 CD LYS A 270 15.837 -21.199 1.744 1.00 0.00 C ATOM 213 CE LYS A 270 15.052 -20.716 2.963 1.00 0.00 C ATOM 214 NZ LYS A 270 15.384 -21.572 4.137 1.00 0.00 N ATOM 0 H LYS A 270 14.258 -20.899 -2.224 1.00 0.00 H new ATOM 0 HA LYS A 270 16.233 -18.838 -1.534 1.00 0.00 H new ATOM 0 HB2 LYS A 270 15.965 -21.820 -0.946 1.00 0.00 H new ATOM 0 HB3 LYS A 270 17.357 -20.886 -0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 270 15.772 -19.279 0.749 1.00 0.00 H new ATOM 0 HG3 LYS A 270 14.443 -20.341 0.329 1.00 0.00 H new ATOM 0 HD2 LYS A 270 15.585 -22.237 1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 270 16.906 -21.168 1.953 1.00 0.00 H new ATOM 0 HE2 LYS A 270 15.296 -19.675 3.177 1.00 0.00 H new ATOM 0 HE3 LYS A 270 13.982 -20.757 2.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 270 14.850 -21.244 4.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 270 15.130 -22.559 3.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 270 16.403 -21.511 4.334 1.00 0.00 H new ATOM 228 N LYS A 271 16.702 -20.742 -4.074 1.00 0.00 N ATOM 229 CA LYS A 271 17.655 -21.110 -5.166 1.00 0.00 C ATOM 230 C LYS A 271 17.993 -19.877 -5.995 1.00 0.00 C ATOM 231 O LYS A 271 17.433 -18.797 -5.784 1.00 0.00 O ATOM 232 CB LYS A 271 17.027 -22.170 -6.081 1.00 0.00 C ATOM 233 CG LYS A 271 17.217 -23.572 -5.487 1.00 0.00 C ATOM 234 CD LYS A 271 16.539 -24.611 -6.390 1.00 0.00 C ATOM 235 CE LYS A 271 17.390 -24.843 -7.644 1.00 0.00 C ATOM 236 NZ LYS A 271 16.866 -26.022 -8.389 1.00 0.00 N ATOM 0 H LYS A 271 15.722 -20.939 -4.279 1.00 0.00 H new ATOM 0 HA LYS A 271 18.563 -21.511 -4.715 1.00 0.00 H new ATOM 0 HB2 LYS A 271 15.964 -21.964 -6.210 1.00 0.00 H new ATOM 0 HB3 LYS A 271 17.484 -22.122 -7.070 1.00 0.00 H new ATOM 0 HG2 LYS A 271 18.279 -23.796 -5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 271 16.791 -23.614 -4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 271 16.410 -25.548 -5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 271 15.544 -24.267 -6.673 1.00 0.00 H new ATOM 0 HE2 LYS A 271 17.368 -23.958 -8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 271 18.430 -25.009 -7.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 271 17.443 -26.180 -9.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 271 16.909 -26.864 -7.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 271 15.880 -25.846 -8.668 1.00 0.00 H new ATOM 250 N CYS A 272 18.893 -20.035 -6.937 1.00 0.00 N ATOM 251 CA CYS A 272 19.297 -18.904 -7.824 1.00 0.00 C ATOM 252 C CYS A 272 18.110 -18.470 -8.684 1.00 0.00 C ATOM 253 O CYS A 272 18.036 -17.311 -9.108 1.00 0.00 O ATOM 254 CB CYS A 272 20.445 -19.349 -8.735 1.00 0.00 C ATOM 255 SG CYS A 272 21.258 -17.891 -9.436 1.00 0.00 S ATOM 0 H CYS A 272 19.371 -20.916 -7.129 1.00 0.00 H new ATOM 0 HA CYS A 272 19.623 -18.067 -7.207 1.00 0.00 H new ATOM 0 HB2 CYS A 272 21.163 -19.943 -8.169 1.00 0.00 H new ATOM 0 HB3 CYS A 272 20.064 -19.986 -9.534 1.00 0.00 H new ATOM 0 HG CYS A 272 22.234 -18.267 -10.208 1.00 0.00 H new ATOM 261 N GLY A 273 17.197 -19.378 -8.969 1.00 0.00 N ATOM 262 CA GLY A 273 16.020 -19.039 -9.826 1.00 0.00 C ATOM 263 C GLY A 273 16.460 -19.133 -11.281 1.00 0.00 C ATOM 264 O GLY A 273 16.582 -18.124 -11.981 1.00 0.00 O ATOM 0 H GLY A 273 17.223 -20.343 -8.640 1.00 0.00 H new ATOM 0 HA2 GLY A 273 15.196 -19.725 -9.631 1.00 0.00 H new ATOM 0 HA3 GLY A 273 15.660 -18.035 -9.600 1.00 0.00 H new ATOM 268 N ILE A 274 16.719 -20.335 -11.722 1.00 0.00 N ATOM 269 CA ILE A 274 17.188 -20.586 -13.126 1.00 0.00 C ATOM 270 C ILE A 274 16.233 -19.913 -14.115 1.00 0.00 C ATOM 271 O ILE A 274 15.021 -19.855 -13.882 1.00 0.00 O ATOM 272 CB ILE A 274 17.247 -22.108 -13.400 1.00 0.00 C ATOM 273 CG1 ILE A 274 18.100 -22.835 -12.316 1.00 0.00 C ATOM 274 CG2 ILE A 274 17.820 -22.376 -14.806 1.00 0.00 C ATOM 275 CD1 ILE A 274 19.587 -22.424 -12.362 1.00 0.00 C ATOM 0 H ILE A 274 16.624 -21.178 -11.156 1.00 0.00 H new ATOM 0 HA ILE A 274 18.187 -20.167 -13.251 1.00 0.00 H new ATOM 0 HB ILE A 274 16.232 -22.504 -13.354 1.00 0.00 H new ATOM 0 HG12 ILE A 274 17.695 -22.612 -11.329 1.00 0.00 H new ATOM 0 HG13 ILE A 274 18.020 -23.913 -12.457 1.00 0.00 H new ATOM 0 HG21 ILE A 274 17.856 -23.451 -14.986 1.00 0.00 H new ATOM 0 HG22 ILE A 274 17.183 -21.904 -15.554 1.00 0.00 H new ATOM 0 HG23 ILE A 274 18.826 -21.963 -14.873 1.00 0.00 H new ATOM 0 HD11 ILE A 274 20.136 -22.959 -11.587 1.00 0.00 H new ATOM 0 HD12 ILE A 274 20.003 -22.672 -13.339 1.00 0.00 H new ATOM 0 HD13 ILE A 274 19.673 -21.351 -12.193 1.00 0.00 H new ATOM 287 N GLN A 275 16.764 -19.412 -15.209 1.00 0.00 N ATOM 288 CA GLN A 275 15.917 -18.739 -16.243 1.00 0.00 C ATOM 289 C GLN A 275 16.248 -19.326 -17.611 1.00 0.00 C ATOM 290 O GLN A 275 17.314 -19.927 -17.793 1.00 0.00 O ATOM 291 CB GLN A 275 16.184 -17.231 -16.247 1.00 0.00 C ATOM 292 CG GLN A 275 15.540 -16.589 -15.015 1.00 0.00 C ATOM 293 CD GLN A 275 14.029 -16.506 -15.202 1.00 0.00 C ATOM 294 OE1 GLN A 275 13.280 -17.229 -14.546 1.00 0.00 O ATOM 295 NE2 GLN A 275 13.535 -15.659 -16.064 1.00 0.00 N ATOM 0 H GLN A 275 17.760 -19.443 -15.429 1.00 0.00 H new ATOM 0 HA GLN A 275 14.864 -18.904 -16.013 1.00 0.00 H new ATOM 0 HB2 GLN A 275 17.258 -17.042 -16.248 1.00 0.00 H new ATOM 0 HB3 GLN A 275 15.781 -16.783 -17.155 1.00 0.00 H new ATOM 0 HG2 GLN A 275 15.773 -17.174 -14.126 1.00 0.00 H new ATOM 0 HG3 GLN A 275 15.951 -15.592 -14.857 1.00 0.00 H new ATOM 0 HE21 GLN A 275 14.159 -15.061 -16.606 1.00 0.00 H new ATOM 0 HE22 GLN A 275 12.525 -15.595 -16.195 1.00 0.00 H new ATOM 304 N ASP A 276 15.361 -19.168 -18.569 1.00 0.00 N ATOM 305 CA ASP A 276 15.606 -19.715 -19.940 1.00 0.00 C ATOM 306 C ASP A 276 16.444 -18.712 -20.742 1.00 0.00 C ATOM 307 O ASP A 276 16.059 -18.284 -21.841 1.00 0.00 O ATOM 308 CB ASP A 276 14.264 -19.993 -20.637 1.00 0.00 C ATOM 309 CG ASP A 276 13.468 -18.700 -20.779 1.00 0.00 C ATOM 310 OD1 ASP A 276 13.308 -18.012 -19.785 1.00 0.00 O ATOM 311 OD2 ASP A 276 13.031 -18.416 -21.882 1.00 0.00 O ATOM 0 H ASP A 276 14.473 -18.680 -18.456 1.00 0.00 H new ATOM 0 HA ASP A 276 16.155 -20.654 -19.873 1.00 0.00 H new ATOM 0 HB2 ASP A 276 14.440 -20.430 -21.620 1.00 0.00 H new ATOM 0 HB3 ASP A 276 13.691 -20.720 -20.062 1.00 0.00 H new ATOM 316 N THR A 277 17.588 -18.332 -20.213 1.00 0.00 N ATOM 317 CA THR A 277 18.476 -17.358 -20.922 1.00 0.00 C ATOM 318 C THR A 277 19.303 -18.100 -21.971 1.00 0.00 C ATOM 319 O THR A 277 19.122 -17.884 -23.174 1.00 0.00 O ATOM 320 CB THR A 277 19.400 -16.659 -19.917 1.00 0.00 C ATOM 321 OG1 THR A 277 20.050 -17.636 -19.119 1.00 0.00 O ATOM 322 CG2 THR A 277 18.576 -15.732 -19.022 1.00 0.00 C ATOM 0 H THR A 277 17.943 -18.659 -19.315 1.00 0.00 H new ATOM 0 HA THR A 277 17.864 -16.602 -21.414 1.00 0.00 H new ATOM 0 HB THR A 277 20.145 -16.072 -20.454 1.00 0.00 H new ATOM 0 HG1 THR A 277 20.643 -17.192 -18.477 1.00 0.00 H new ATOM 0 HG21 THR A 277 19.234 -15.236 -18.308 1.00 0.00 H new ATOM 0 HG22 THR A 277 18.076 -14.983 -19.636 1.00 0.00 H new ATOM 0 HG23 THR A 277 17.830 -16.316 -18.483 1.00 0.00 H new ATOM 330 N ASN A 278 20.200 -18.968 -21.545 1.00 0.00 N ATOM 331 CA ASN A 278 21.046 -19.736 -22.512 1.00 0.00 C ATOM 332 C ASN A 278 20.935 -21.227 -22.204 1.00 0.00 C ATOM 333 O ASN A 278 20.456 -22.002 -23.035 1.00 0.00 O ATOM 334 CB ASN A 278 22.508 -19.288 -22.411 1.00 0.00 C ATOM 335 CG ASN A 278 22.675 -17.906 -23.031 1.00 0.00 C ATOM 336 OD1 ASN A 278 22.536 -17.747 -24.243 1.00 0.00 O ATOM 337 ND2 ASN A 278 22.970 -16.889 -22.267 1.00 0.00 N ATOM 0 H ASN A 278 20.379 -19.175 -20.562 1.00 0.00 H new ATOM 0 HA ASN A 278 20.695 -19.546 -23.526 1.00 0.00 H new ATOM 0 HB2 ASN A 278 22.819 -19.267 -21.366 1.00 0.00 H new ATOM 0 HB3 ASN A 278 23.152 -20.004 -22.921 1.00 0.00 H new ATOM 0 HD21 ASN A 278 23.085 -15.961 -22.675 1.00 0.00 H new ATOM 0 HD22 ASN A 278 23.085 -17.022 -21.262 1.00 0.00 H new ATOM 344 N SER A 279 21.365 -21.634 -21.027 1.00 0.00 N ATOM 345 CA SER A 279 21.303 -23.078 -20.617 1.00 0.00 C ATOM 346 C SER A 279 22.164 -23.926 -21.556 1.00 0.00 C ATOM 347 O SER A 279 21.880 -24.028 -22.754 1.00 0.00 O ATOM 348 CB SER A 279 19.851 -23.582 -20.622 1.00 0.00 C ATOM 349 OG SER A 279 19.490 -24.019 -21.927 1.00 0.00 O ATOM 0 H SER A 279 21.763 -21.014 -20.322 1.00 0.00 H new ATOM 0 HA SER A 279 21.692 -23.168 -19.603 1.00 0.00 H new ATOM 0 HB2 SER A 279 19.740 -24.401 -19.912 1.00 0.00 H new ATOM 0 HB3 SER A 279 19.180 -22.786 -20.298 1.00 0.00 H new ATOM 0 HG SER A 279 20.107 -23.633 -22.583 1.00 0.00 H new ATOM 355 N LYS A 280 23.204 -24.535 -21.029 1.00 0.00 N ATOM 356 CA LYS A 280 24.103 -25.388 -21.869 1.00 0.00 C ATOM 357 C LYS A 280 24.578 -26.587 -21.053 1.00 0.00 C ATOM 358 O LYS A 280 25.469 -26.457 -20.206 1.00 0.00 O ATOM 359 CB LYS A 280 25.309 -24.571 -22.340 1.00 0.00 C ATOM 360 CG LYS A 280 24.855 -23.538 -23.377 1.00 0.00 C ATOM 361 CD LYS A 280 26.046 -22.673 -23.811 1.00 0.00 C ATOM 362 CE LYS A 280 26.377 -21.652 -22.717 1.00 0.00 C ATOM 363 NZ LYS A 280 27.403 -20.695 -23.221 1.00 0.00 N ATOM 0 H LYS A 280 23.468 -24.475 -20.046 1.00 0.00 H new ATOM 0 HA LYS A 280 23.551 -25.740 -22.741 1.00 0.00 H new ATOM 0 HB2 LYS A 280 25.775 -24.070 -21.492 1.00 0.00 H new ATOM 0 HB3 LYS A 280 26.061 -25.230 -22.773 1.00 0.00 H new ATOM 0 HG2 LYS A 280 24.427 -24.043 -24.243 1.00 0.00 H new ATOM 0 HG3 LYS A 280 24.071 -22.908 -22.956 1.00 0.00 H new ATOM 0 HD2 LYS A 280 26.913 -23.304 -24.005 1.00 0.00 H new ATOM 0 HD3 LYS A 280 25.812 -22.158 -24.742 1.00 0.00 H new ATOM 0 HE2 LYS A 280 25.476 -21.114 -22.423 1.00 0.00 H new ATOM 0 HE3 LYS A 280 26.747 -22.163 -21.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 27.627 -20.003 -22.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 28.265 -21.215 -23.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 27.034 -20.198 -24.057 1.00 0.00 H new ATOM 377 N LYS A 281 24.005 -27.746 -21.296 1.00 0.00 N ATOM 378 CA LYS A 281 24.410 -28.976 -20.547 1.00 0.00 C ATOM 379 C LYS A 281 24.550 -30.137 -21.526 1.00 0.00 C ATOM 380 O LYS A 281 23.843 -30.192 -22.537 1.00 0.00 O ATOM 381 CB LYS A 281 23.361 -29.319 -19.483 1.00 0.00 C ATOM 382 CG LYS A 281 23.284 -28.195 -18.440 1.00 0.00 C ATOM 383 CD LYS A 281 24.476 -28.287 -17.480 1.00 0.00 C ATOM 384 CE LYS A 281 24.513 -27.043 -16.589 1.00 0.00 C ATOM 385 NZ LYS A 281 24.951 -25.867 -17.393 1.00 0.00 N ATOM 0 H LYS A 281 23.269 -27.890 -21.987 1.00 0.00 H new ATOM 0 HA LYS A 281 25.364 -28.796 -20.051 1.00 0.00 H new ATOM 0 HB2 LYS A 281 22.387 -29.458 -19.952 1.00 0.00 H new ATOM 0 HB3 LYS A 281 23.618 -30.260 -18.997 1.00 0.00 H new ATOM 0 HG2 LYS A 281 23.282 -27.225 -18.938 1.00 0.00 H new ATOM 0 HG3 LYS A 281 22.351 -28.269 -17.882 1.00 0.00 H new ATOM 0 HD2 LYS A 281 24.394 -29.184 -16.866 1.00 0.00 H new ATOM 0 HD3 LYS A 281 25.405 -28.371 -18.044 1.00 0.00 H new ATOM 0 HE2 LYS A 281 23.527 -26.859 -16.163 1.00 0.00 H new ATOM 0 HE3 LYS A 281 25.196 -27.201 -15.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 25.823 -25.474 -16.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 25.130 -26.164 -18.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 24.206 -25.142 -17.382 1.00 0.00 H new ATOM 399 N GLN A 282 25.450 -31.053 -21.246 1.00 0.00 N ATOM 400 CA GLN A 282 25.664 -32.226 -22.153 1.00 0.00 C ATOM 401 C GLN A 282 25.811 -33.499 -21.318 1.00 0.00 C ATOM 402 O GLN A 282 26.676 -33.580 -20.440 1.00 0.00 O ATOM 403 CB GLN A 282 26.915 -32.012 -23.023 1.00 0.00 C ATOM 404 CG GLN A 282 28.149 -31.762 -22.142 1.00 0.00 C ATOM 405 CD GLN A 282 29.321 -31.303 -22.999 1.00 0.00 C ATOM 406 OE1 GLN A 282 29.650 -31.942 -23.998 1.00 0.00 O ATOM 407 NE2 GLN A 282 29.977 -30.224 -22.666 1.00 0.00 N ATOM 0 H GLN A 282 26.049 -31.037 -20.421 1.00 0.00 H new ATOM 0 HA GLN A 282 24.802 -32.327 -22.812 1.00 0.00 H new ATOM 0 HB2 GLN A 282 27.081 -32.887 -23.652 1.00 0.00 H new ATOM 0 HB3 GLN A 282 26.760 -31.164 -23.690 1.00 0.00 H new ATOM 0 HG2 GLN A 282 27.921 -31.007 -21.390 1.00 0.00 H new ATOM 0 HG3 GLN A 282 28.415 -32.674 -21.608 1.00 0.00 H new ATOM 0 HE21 GLN A 282 29.703 -29.696 -21.838 1.00 0.00 H new ATOM 0 HE22 GLN A 282 30.764 -29.910 -23.234 1.00 0.00 H new ATOM 416 N SER A 283 24.983 -34.486 -21.578 1.00 0.00 N ATOM 417 CA SER A 283 25.051 -35.772 -20.817 1.00 0.00 C ATOM 418 C SER A 283 24.948 -36.939 -21.802 1.00 0.00 C ATOM 419 O SER A 283 24.986 -36.729 -23.018 1.00 0.00 O ATOM 420 CB SER A 283 23.910 -35.832 -19.795 1.00 0.00 C ATOM 421 OG SER A 283 23.869 -34.612 -19.068 1.00 0.00 O ATOM 0 H SER A 283 24.256 -34.452 -22.293 1.00 0.00 H new ATOM 0 HA SER A 283 25.998 -35.836 -20.281 1.00 0.00 H new ATOM 0 HB2 SER A 283 22.960 -35.999 -20.302 1.00 0.00 H new ATOM 0 HB3 SER A 283 24.059 -36.670 -19.114 1.00 0.00 H new ATOM 0 HG SER A 283 23.140 -34.645 -18.414 1.00 0.00 H new ATOM 427 N ASP A 284 24.812 -38.158 -21.307 1.00 0.00 N ATOM 428 CA ASP A 284 24.698 -39.350 -22.208 1.00 0.00 C ATOM 429 C ASP A 284 23.544 -39.134 -23.183 1.00 0.00 C ATOM 430 O ASP A 284 22.860 -38.116 -23.105 1.00 0.00 O ATOM 431 CB ASP A 284 24.447 -40.614 -21.384 1.00 0.00 C ATOM 432 CG ASP A 284 23.197 -40.441 -20.528 1.00 0.00 C ATOM 433 OD1 ASP A 284 23.331 -40.418 -19.315 1.00 0.00 O ATOM 434 OD2 ASP A 284 22.123 -40.336 -21.097 1.00 0.00 O ATOM 0 H ASP A 284 24.776 -38.372 -20.310 1.00 0.00 H new ATOM 0 HA ASP A 284 25.629 -39.472 -22.761 1.00 0.00 H new ATOM 0 HB2 ASP A 284 24.328 -41.472 -22.046 1.00 0.00 H new ATOM 0 HB3 ASP A 284 25.308 -40.820 -20.748 1.00 0.00 H new ATOM 439 N THR A 285 23.330 -40.080 -24.089 1.00 0.00 N ATOM 440 CA THR A 285 22.227 -40.006 -25.134 1.00 0.00 C ATOM 441 C THR A 285 21.689 -38.577 -25.311 1.00 0.00 C ATOM 442 O THR A 285 20.681 -38.194 -24.704 1.00 0.00 O ATOM 443 CB THR A 285 21.083 -40.950 -24.742 1.00 0.00 C ATOM 444 OG1 THR A 285 20.606 -40.603 -23.450 1.00 0.00 O ATOM 445 CG2 THR A 285 21.586 -42.394 -24.733 1.00 0.00 C ATOM 0 H THR A 285 23.893 -40.929 -24.150 1.00 0.00 H new ATOM 0 HA THR A 285 22.655 -40.313 -26.089 1.00 0.00 H new ATOM 0 HB THR A 285 20.273 -40.857 -25.466 1.00 0.00 H new ATOM 0 HG1 THR A 285 21.323 -40.724 -22.793 1.00 0.00 H new ATOM 0 HG21 THR A 285 20.771 -43.062 -24.454 1.00 0.00 H new ATOM 0 HG22 THR A 285 21.949 -42.659 -25.726 1.00 0.00 H new ATOM 0 HG23 THR A 285 22.398 -42.492 -24.012 1.00 0.00 H new