USER MOD reduce.3.24.130724 H: found=0, std=0, add=229, rem=0, adj=6 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 160:sc= -0.548 (180deg=-1.48) 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 X(o=0,f=-0.29) USER MOD Single : A 277 THR OG1 : rot 180:sc=-0.00302 USER MOD Single : A 278 ASN : amide:sc= -0.697 K(o=-0.7,f=-0.019) USER MOD Single : A 279 SER OG : rot 180:sc=-0.00143 USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 281 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 282 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 283 SER OG : rot 180:sc= 0 USER MOD Single : A 285 THR OG1 : rot 47:sc= 0.343 USER MOD ----------------------------------------------------------------- ATOM 10 N PRO A 259 -12.028 -19.311 2.671 1.00 0.00 N ATOM 11 CA PRO A 259 -11.285 -19.384 3.968 1.00 0.00 C ATOM 12 C PRO A 259 -9.987 -20.180 3.843 1.00 0.00 C ATOM 13 O PRO A 259 -8.921 -19.711 4.257 1.00 0.00 O ATOM 14 CB PRO A 259 -12.283 -20.080 4.904 1.00 0.00 C ATOM 15 CG PRO A 259 -13.556 -20.416 4.120 1.00 0.00 C ATOM 16 CD PRO A 259 -13.399 -19.926 2.679 1.00 0.00 C ATOM 0 HA PRO A 259 -10.971 -18.404 4.327 1.00 0.00 H new ATOM 0 HB2 PRO A 259 -11.843 -20.989 5.314 1.00 0.00 H new ATOM 0 HB3 PRO A 259 -12.521 -19.433 5.748 1.00 0.00 H new ATOM 0 HG2 PRO A 259 -13.734 -21.491 4.134 1.00 0.00 H new ATOM 0 HG3 PRO A 259 -14.421 -19.943 4.586 1.00 0.00 H new ATOM 0 HD2 PRO A 259 -13.476 -20.746 1.965 1.00 0.00 H new ATOM 0 HD3 PRO A 259 -14.167 -19.199 2.415 1.00 0.00 H new ATOM 24 N ARG A 260 -10.065 -21.372 3.294 1.00 0.00 N ATOM 25 CA ARG A 260 -8.850 -22.228 3.139 1.00 0.00 C ATOM 26 C ARG A 260 -7.809 -21.498 2.274 1.00 0.00 C ATOM 27 O ARG A 260 -7.936 -20.296 2.023 1.00 0.00 O ATOM 28 CB ARG A 260 -9.246 -23.606 2.547 1.00 0.00 C ATOM 29 CG ARG A 260 -9.586 -23.535 1.035 1.00 0.00 C ATOM 30 CD ARG A 260 -11.074 -23.242 0.821 1.00 0.00 C ATOM 31 NE ARG A 260 -11.391 -23.256 -0.646 1.00 0.00 N ATOM 32 CZ ARG A 260 -12.635 -23.355 -1.096 1.00 0.00 C ATOM 33 NH1 ARG A 260 -12.845 -23.352 -2.383 1.00 0.00 N ATOM 34 NH2 ARG A 260 -13.662 -23.460 -0.281 1.00 0.00 N ATOM 0 H ARG A 260 -10.928 -21.789 2.945 1.00 0.00 H new ATOM 0 HA ARG A 260 -8.396 -22.412 4.113 1.00 0.00 H new ATOM 0 HB2 ARG A 260 -8.428 -24.310 2.698 1.00 0.00 H new ATOM 0 HB3 ARG A 260 -10.107 -23.996 3.090 1.00 0.00 H new ATOM 0 HG2 ARG A 260 -8.987 -22.758 0.560 1.00 0.00 H new ATOM 0 HG3 ARG A 260 -9.325 -24.478 0.555 1.00 0.00 H new ATOM 0 HD2 ARG A 260 -11.678 -23.986 1.340 1.00 0.00 H new ATOM 0 HD3 ARG A 260 -11.328 -22.272 1.248 1.00 0.00 H new ATOM 0 HE ARG A 260 -10.626 -23.187 -1.318 1.00 0.00 H new ATOM 0 HH11 ARG A 260 -12.059 -23.274 -3.028 1.00 0.00 H new ATOM 0 HH12 ARG A 260 -13.796 -23.427 -2.745 1.00 0.00 H new ATOM 0 HH21 ARG A 260 -13.514 -23.467 0.728 1.00 0.00 H new ATOM 0 HH22 ARG A 260 -14.607 -23.534 -0.658 1.00 0.00 H new ATOM 48 N LEU A 261 -6.797 -22.206 1.812 1.00 0.00 N ATOM 49 CA LEU A 261 -5.744 -21.579 0.952 1.00 0.00 C ATOM 50 C LEU A 261 -5.766 -22.241 -0.421 1.00 0.00 C ATOM 51 O LEU A 261 -6.343 -23.320 -0.584 1.00 0.00 O ATOM 52 CB LEU A 261 -4.350 -21.731 1.595 1.00 0.00 C ATOM 53 CG LEU A 261 -4.026 -23.218 1.888 1.00 0.00 C ATOM 54 CD1 LEU A 261 -3.473 -23.908 0.625 1.00 0.00 C ATOM 55 CD2 LEU A 261 -2.979 -23.299 3.011 1.00 0.00 C ATOM 0 H LEU A 261 -6.659 -23.199 1.998 1.00 0.00 H new ATOM 0 HA LEU A 261 -5.952 -20.514 0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 261 -3.593 -21.315 0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 261 -4.310 -21.158 2.521 1.00 0.00 H new ATOM 0 HG LEU A 261 -4.941 -23.724 2.194 1.00 0.00 H new ATOM 0 HD11 LEU A 261 -3.251 -24.951 0.848 1.00 0.00 H new ATOM 0 HD12 LEU A 261 -4.215 -23.858 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 261 -2.562 -23.403 0.304 1.00 0.00 H new ATOM 0 HD21 LEU A 261 -2.749 -24.344 3.219 1.00 0.00 H new ATOM 0 HD22 LEU A 261 -2.071 -22.783 2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 261 -3.374 -22.828 3.911 1.00 0.00 H new ATOM 67 N ARG A 262 -5.147 -21.623 -1.404 1.00 0.00 N ATOM 68 CA ARG A 262 -5.114 -22.213 -2.781 1.00 0.00 C ATOM 69 C ARG A 262 -3.665 -22.568 -3.131 1.00 0.00 C ATOM 70 O ARG A 262 -2.777 -22.461 -2.278 1.00 0.00 O ATOM 71 CB ARG A 262 -5.694 -21.210 -3.796 1.00 0.00 C ATOM 72 CG ARG A 262 -6.279 -21.949 -5.030 1.00 0.00 C ATOM 73 CD ARG A 262 -7.574 -21.281 -5.528 1.00 0.00 C ATOM 74 NE ARG A 262 -8.764 -22.105 -5.125 1.00 0.00 N ATOM 75 CZ ARG A 262 -9.999 -21.628 -5.181 1.00 0.00 C ATOM 76 NH1 ARG A 262 -10.991 -22.400 -4.831 1.00 0.00 N ATOM 77 NH2 ARG A 262 -10.254 -20.400 -5.577 1.00 0.00 N ATOM 0 H ARG A 262 -4.662 -20.731 -1.309 1.00 0.00 H new ATOM 0 HA ARG A 262 -5.722 -23.117 -2.816 1.00 0.00 H new ATOM 0 HB2 ARG A 262 -6.473 -20.614 -3.320 1.00 0.00 H new ATOM 0 HB3 ARG A 262 -4.915 -20.519 -4.116 1.00 0.00 H new ATOM 0 HG2 ARG A 262 -5.542 -21.958 -5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 262 -6.481 -22.988 -4.771 1.00 0.00 H new ATOM 0 HD2 ARG A 262 -7.659 -20.277 -5.112 1.00 0.00 H new ATOM 0 HD3 ARG A 262 -7.545 -21.175 -6.612 1.00 0.00 H new ATOM 0 HE ARG A 262 -8.617 -23.060 -4.799 1.00 0.00 H new ATOM 0 HH11 ARG A 262 -10.809 -23.354 -4.520 1.00 0.00 H new ATOM 0 HH12 ARG A 262 -11.948 -22.049 -4.868 1.00 0.00 H new ATOM 0 HH21 ARG A 262 -9.489 -19.784 -5.853 1.00 0.00 H new ATOM 0 HH22 ARG A 262 -11.216 -20.064 -5.609 1.00 0.00 H new ATOM 91 N LYS A 263 -3.411 -22.998 -4.354 1.00 0.00 N ATOM 92 CA LYS A 263 -2.026 -23.374 -4.772 1.00 0.00 C ATOM 93 C LYS A 263 -1.074 -22.196 -4.528 1.00 0.00 C ATOM 94 O LYS A 263 -1.471 -21.168 -3.970 1.00 0.00 O ATOM 95 CB LYS A 263 -2.027 -23.788 -6.256 1.00 0.00 C ATOM 96 CG LYS A 263 -2.478 -22.610 -7.141 1.00 0.00 C ATOM 97 CD LYS A 263 -2.711 -23.071 -8.601 1.00 0.00 C ATOM 98 CE LYS A 263 -4.206 -23.304 -8.862 1.00 0.00 C ATOM 99 NZ LYS A 263 -4.409 -23.648 -10.299 1.00 0.00 N ATOM 0 H LYS A 263 -4.117 -23.103 -5.082 1.00 0.00 H new ATOM 0 HA LYS A 263 -1.680 -24.221 -4.180 1.00 0.00 H new ATOM 0 HB2 LYS A 263 -1.029 -24.111 -6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 263 -2.694 -24.638 -6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 263 -3.396 -22.180 -6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 263 -1.723 -21.824 -7.120 1.00 0.00 H new ATOM 0 HD2 LYS A 263 -2.329 -22.319 -9.291 1.00 0.00 H new ATOM 0 HD3 LYS A 263 -2.156 -23.989 -8.791 1.00 0.00 H new ATOM 0 HE2 LYS A 263 -4.576 -24.110 -8.228 1.00 0.00 H new ATOM 0 HE3 LYS A 263 -4.775 -22.410 -8.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 263 -5.421 -23.806 -10.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 263 -4.070 -22.866 -10.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 263 -3.878 -24.512 -10.527 1.00 0.00 H new ATOM 113 N GLY A 264 0.169 -22.334 -4.932 1.00 0.00 N ATOM 114 CA GLY A 264 1.175 -21.245 -4.730 1.00 0.00 C ATOM 115 C GLY A 264 2.088 -21.602 -3.552 1.00 0.00 C ATOM 116 O GLY A 264 2.644 -20.711 -2.902 1.00 0.00 O ATOM 0 H GLY A 264 0.531 -23.166 -5.398 1.00 0.00 H new ATOM 0 HA2 GLY A 264 1.768 -21.111 -5.635 1.00 0.00 H new ATOM 0 HA3 GLY A 264 0.669 -20.299 -4.537 1.00 0.00 H new ATOM 120 N ARG A 265 2.249 -22.880 -3.269 1.00 0.00 N ATOM 121 CA ARG A 265 3.121 -23.318 -2.134 1.00 0.00 C ATOM 122 C ARG A 265 4.519 -22.737 -2.317 1.00 0.00 C ATOM 123 O ARG A 265 4.814 -22.147 -3.357 1.00 0.00 O ATOM 124 CB ARG A 265 3.198 -24.848 -2.094 1.00 0.00 C ATOM 125 CG ARG A 265 1.869 -25.426 -1.582 1.00 0.00 C ATOM 126 CD ARG A 265 1.780 -25.291 -0.051 1.00 0.00 C ATOM 127 NE ARG A 265 1.108 -23.999 0.318 1.00 0.00 N ATOM 128 CZ ARG A 265 0.672 -23.760 1.548 1.00 0.00 C ATOM 129 NH1 ARG A 265 0.082 -22.624 1.803 1.00 0.00 N ATOM 130 NH2 ARG A 265 0.818 -24.632 2.522 1.00 0.00 N ATOM 0 H ARG A 265 1.807 -23.641 -3.784 1.00 0.00 H new ATOM 0 HA ARG A 265 2.698 -22.960 -1.195 1.00 0.00 H new ATOM 0 HB2 ARG A 265 3.414 -25.236 -3.090 1.00 0.00 H new ATOM 0 HB3 ARG A 265 4.015 -25.163 -1.445 1.00 0.00 H new ATOM 0 HG2 ARG A 265 1.034 -24.904 -2.049 1.00 0.00 H new ATOM 0 HG3 ARG A 265 1.788 -26.475 -1.866 1.00 0.00 H new ATOM 0 HD2 ARG A 265 1.222 -26.131 0.364 1.00 0.00 H new ATOM 0 HD3 ARG A 265 2.779 -25.327 0.383 1.00 0.00 H new ATOM 0 HE ARG A 265 0.983 -23.284 -0.399 1.00 0.00 H new ATOM 0 HH11 ARG A 265 -0.039 -21.934 1.061 1.00 0.00 H new ATOM 0 HH12 ARG A 265 -0.258 -22.426 2.744 1.00 0.00 H new ATOM 0 HH21 ARG A 265 1.278 -25.524 2.343 1.00 0.00 H new ATOM 0 HH22 ARG A 265 0.471 -24.416 3.456 1.00 0.00 H new ATOM 144 N MET A 266 5.362 -22.877 -1.316 1.00 0.00 N ATOM 145 CA MET A 266 6.755 -22.333 -1.377 1.00 0.00 C ATOM 146 C MET A 266 7.533 -22.926 -2.563 1.00 0.00 C ATOM 147 O MET A 266 8.327 -23.865 -2.406 1.00 0.00 O ATOM 148 CB MET A 266 7.500 -22.648 -0.064 1.00 0.00 C ATOM 149 CG MET A 266 7.069 -21.671 1.033 1.00 0.00 C ATOM 150 SD MET A 266 7.875 -22.122 2.590 1.00 0.00 S ATOM 151 CE MET A 266 9.562 -21.669 2.113 1.00 0.00 C ATOM 0 H MET A 266 5.135 -23.355 -0.444 1.00 0.00 H new ATOM 0 HA MET A 266 6.689 -21.254 -1.514 1.00 0.00 H new ATOM 0 HB2 MET A 266 7.289 -23.671 0.246 1.00 0.00 H new ATOM 0 HB3 MET A 266 8.576 -22.578 -0.222 1.00 0.00 H new ATOM 0 HG2 MET A 266 7.337 -20.652 0.754 1.00 0.00 H new ATOM 0 HG3 MET A 266 5.986 -21.695 1.151 1.00 0.00 H new ATOM 0 HE1 MET A 266 10.167 -21.526 3.008 1.00 0.00 H new ATOM 0 HE2 MET A 266 9.995 -22.464 1.506 1.00 0.00 H new ATOM 0 HE3 MET A 266 9.541 -20.744 1.537 1.00 0.00 H new ATOM 161 N MET A 267 7.356 -22.359 -3.732 1.00 0.00 N ATOM 162 CA MET A 267 8.110 -22.817 -4.941 1.00 0.00 C ATOM 163 C MET A 267 9.367 -21.944 -5.025 1.00 0.00 C ATOM 164 O MET A 267 9.445 -20.953 -4.304 1.00 0.00 O ATOM 165 CB MET A 267 7.234 -22.671 -6.195 1.00 0.00 C ATOM 166 CG MET A 267 7.987 -23.162 -7.435 1.00 0.00 C ATOM 167 SD MET A 267 6.811 -23.431 -8.783 1.00 0.00 S ATOM 168 CE MET A 267 6.436 -25.165 -8.420 1.00 0.00 C ATOM 0 H MET A 267 6.711 -21.587 -3.902 1.00 0.00 H new ATOM 0 HA MET A 267 8.385 -23.869 -4.873 1.00 0.00 H new ATOM 0 HB2 MET A 267 6.314 -23.242 -6.071 1.00 0.00 H new ATOM 0 HB3 MET A 267 6.947 -21.628 -6.326 1.00 0.00 H new ATOM 0 HG2 MET A 267 8.737 -22.429 -7.733 1.00 0.00 H new ATOM 0 HG3 MET A 267 8.517 -24.087 -7.210 1.00 0.00 H new ATOM 0 HE1 MET A 267 5.715 -25.541 -9.146 1.00 0.00 H new ATOM 0 HE2 MET A 267 7.351 -25.755 -8.479 1.00 0.00 H new ATOM 0 HE3 MET A 267 6.017 -25.244 -7.417 1.00 0.00 H new ATOM 178 N ASP A 268 10.340 -22.297 -5.863 1.00 0.00 N ATOM 179 CA ASP A 268 11.657 -21.525 -6.001 1.00 0.00 C ATOM 180 C ASP A 268 11.756 -20.345 -5.015 1.00 0.00 C ATOM 181 O ASP A 268 11.627 -19.173 -5.392 1.00 0.00 O ATOM 182 CB ASP A 268 11.838 -21.014 -7.447 1.00 0.00 C ATOM 183 CG ASP A 268 10.523 -20.472 -8.009 1.00 0.00 C ATOM 184 OD1 ASP A 268 10.170 -20.859 -9.112 1.00 0.00 O ATOM 185 OD2 ASP A 268 9.891 -19.682 -7.328 1.00 0.00 O ATOM 0 H ASP A 268 10.278 -23.110 -6.476 1.00 0.00 H new ATOM 0 HA ASP A 268 12.457 -22.225 -5.757 1.00 0.00 H new ATOM 0 HB2 ASP A 268 12.596 -20.231 -7.467 1.00 0.00 H new ATOM 0 HB3 ASP A 268 12.201 -21.824 -8.079 1.00 0.00 H new ATOM 190 N VAL A 269 11.956 -20.659 -3.749 1.00 0.00 N ATOM 191 CA VAL A 269 12.039 -19.603 -2.692 1.00 0.00 C ATOM 192 C VAL A 269 13.495 -19.224 -2.446 1.00 0.00 C ATOM 193 O VAL A 269 13.830 -18.035 -2.404 1.00 0.00 O ATOM 194 CB VAL A 269 11.382 -20.078 -1.374 1.00 0.00 C ATOM 195 CG1 VAL A 269 9.864 -20.220 -1.567 1.00 0.00 C ATOM 196 CG2 VAL A 269 11.960 -21.433 -0.920 1.00 0.00 C ATOM 0 H VAL A 269 12.066 -21.613 -3.406 1.00 0.00 H new ATOM 0 HA VAL A 269 11.494 -18.727 -3.044 1.00 0.00 H new ATOM 0 HB VAL A 269 11.593 -19.332 -0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 269 9.408 -20.555 -0.635 1.00 0.00 H new ATOM 0 HG12 VAL A 269 9.442 -19.256 -1.852 1.00 0.00 H new ATOM 0 HG13 VAL A 269 9.664 -20.950 -2.351 1.00 0.00 H new ATOM 0 HG21 VAL A 269 11.479 -21.741 0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 269 11.777 -22.183 -1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 269 13.033 -21.335 -0.757 1.00 0.00 H new ATOM 206 N LYS A 270 14.359 -20.198 -2.286 1.00 0.00 N ATOM 207 CA LYS A 270 15.811 -19.905 -2.038 1.00 0.00 C ATOM 208 C LYS A 270 16.660 -20.288 -3.259 1.00 0.00 C ATOM 209 O LYS A 270 17.868 -20.029 -3.276 1.00 0.00 O ATOM 210 CB LYS A 270 16.297 -20.676 -0.810 1.00 0.00 C ATOM 211 CG LYS A 270 15.568 -20.166 0.439 1.00 0.00 C ATOM 212 CD LYS A 270 16.060 -20.933 1.667 1.00 0.00 C ATOM 213 CE LYS A 270 15.236 -20.524 2.889 1.00 0.00 C ATOM 214 NZ LYS A 270 15.641 -21.350 4.061 1.00 0.00 N ATOM 0 H LYS A 270 14.121 -21.189 -2.316 1.00 0.00 H new ATOM 0 HA LYS A 270 15.919 -18.835 -1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 270 16.113 -21.742 -0.941 1.00 0.00 H new ATOM 0 HB3 LYS A 270 17.373 -20.551 -0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 270 15.748 -19.099 0.568 1.00 0.00 H new ATOM 0 HG3 LYS A 270 14.492 -20.296 0.323 1.00 0.00 H new ATOM 0 HD2 LYS A 270 15.971 -22.006 1.498 1.00 0.00 H new ATOM 0 HD3 LYS A 270 17.116 -20.724 1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 270 15.388 -19.467 3.106 1.00 0.00 H new ATOM 0 HE3 LYS A 270 14.174 -20.658 2.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 270 15.081 -21.072 4.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 270 15.474 -22.355 3.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 270 16.651 -21.200 4.259 1.00 0.00 H new ATOM 228 N LYS A 271 16.066 -20.897 -4.269 1.00 0.00 N ATOM 229 CA LYS A 271 16.837 -21.301 -5.486 1.00 0.00 C ATOM 230 C LYS A 271 17.510 -20.078 -6.099 1.00 0.00 C ATOM 231 O LYS A 271 17.310 -18.947 -5.643 1.00 0.00 O ATOM 232 CB LYS A 271 15.900 -21.931 -6.517 1.00 0.00 C ATOM 233 CG LYS A 271 15.493 -23.337 -6.062 1.00 0.00 C ATOM 234 CD LYS A 271 14.528 -23.955 -7.083 1.00 0.00 C ATOM 235 CE LYS A 271 15.310 -24.440 -8.313 1.00 0.00 C ATOM 236 NZ LYS A 271 14.371 -24.697 -9.448 1.00 0.00 N ATOM 0 H LYS A 271 15.073 -21.130 -4.296 1.00 0.00 H new ATOM 0 HA LYS A 271 17.594 -22.029 -5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 271 15.014 -21.309 -6.643 1.00 0.00 H new ATOM 0 HB3 LYS A 271 16.394 -21.982 -7.487 1.00 0.00 H new ATOM 0 HG2 LYS A 271 16.377 -23.965 -5.957 1.00 0.00 H new ATOM 0 HG3 LYS A 271 15.018 -23.289 -5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 271 13.991 -24.789 -6.631 1.00 0.00 H new ATOM 0 HD3 LYS A 271 13.781 -23.220 -7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 271 16.048 -23.692 -8.603 1.00 0.00 H new ATOM 0 HE3 LYS A 271 15.858 -25.351 -8.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 271 14.908 -25.025 -10.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 271 13.683 -25.426 -9.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 271 13.867 -23.819 -9.688 1.00 0.00 H new ATOM 250 N CYS A 272 18.293 -20.291 -7.131 1.00 0.00 N ATOM 251 CA CYS A 272 18.993 -19.166 -7.820 1.00 0.00 C ATOM 252 C CYS A 272 18.072 -18.570 -8.882 1.00 0.00 C ATOM 253 O CYS A 272 18.135 -17.368 -9.160 1.00 0.00 O ATOM 254 CB CYS A 272 20.274 -19.676 -8.487 1.00 0.00 C ATOM 255 SG CYS A 272 21.596 -19.781 -7.255 1.00 0.00 S ATOM 0 H CYS A 272 18.477 -21.212 -7.529 1.00 0.00 H new ATOM 0 HA CYS A 272 19.251 -18.403 -7.086 1.00 0.00 H new ATOM 0 HB2 CYS A 272 20.099 -20.655 -8.933 1.00 0.00 H new ATOM 0 HB3 CYS A 272 20.568 -19.006 -9.295 1.00 0.00 H new ATOM 0 HG CYS A 272 22.683 -20.216 -7.821 1.00 0.00 H new ATOM 261 N GLY A 273 17.235 -19.388 -9.490 1.00 0.00 N ATOM 262 CA GLY A 273 16.314 -18.886 -10.554 1.00 0.00 C ATOM 263 C GLY A 273 17.004 -19.053 -11.899 1.00 0.00 C ATOM 264 O GLY A 273 17.371 -18.071 -12.551 1.00 0.00 O ATOM 0 H GLY A 273 17.155 -20.385 -9.289 1.00 0.00 H new ATOM 0 HA2 GLY A 273 15.376 -19.441 -10.537 1.00 0.00 H new ATOM 0 HA3 GLY A 273 16.068 -17.838 -10.381 1.00 0.00 H new ATOM 268 N ILE A 274 17.196 -20.283 -12.309 1.00 0.00 N ATOM 269 CA ILE A 274 17.881 -20.575 -13.611 1.00 0.00 C ATOM 270 C ILE A 274 17.118 -19.879 -14.736 1.00 0.00 C ATOM 271 O ILE A 274 15.883 -19.844 -14.728 1.00 0.00 O ATOM 272 CB ILE A 274 17.929 -22.096 -13.875 1.00 0.00 C ATOM 273 CG1 ILE A 274 18.499 -22.864 -12.643 1.00 0.00 C ATOM 274 CG2 ILE A 274 18.777 -22.381 -15.126 1.00 0.00 C ATOM 275 CD1 ILE A 274 19.971 -22.503 -12.349 1.00 0.00 C ATOM 0 H ILE A 274 16.903 -21.111 -11.790 1.00 0.00 H new ATOM 0 HA ILE A 274 18.905 -20.205 -13.567 1.00 0.00 H new ATOM 0 HB ILE A 274 16.912 -22.449 -14.044 1.00 0.00 H new ATOM 0 HG12 ILE A 274 17.891 -22.639 -11.766 1.00 0.00 H new ATOM 0 HG13 ILE A 274 18.420 -23.937 -12.819 1.00 0.00 H new ATOM 0 HG21 ILE A 274 18.808 -23.455 -15.308 1.00 0.00 H new ATOM 0 HG22 ILE A 274 18.335 -21.880 -15.987 1.00 0.00 H new ATOM 0 HG23 ILE A 274 19.790 -22.010 -14.971 1.00 0.00 H new ATOM 0 HD11 ILE A 274 20.317 -23.066 -11.482 1.00 0.00 H new ATOM 0 HD12 ILE A 274 20.586 -22.753 -13.213 1.00 0.00 H new ATOM 0 HD13 ILE A 274 20.050 -21.435 -12.144 1.00 0.00 H new ATOM 287 N GLN A 275 17.829 -19.327 -15.695 1.00 0.00 N ATOM 288 CA GLN A 275 17.166 -18.622 -16.835 1.00 0.00 C ATOM 289 C GLN A 275 17.494 -19.348 -18.136 1.00 0.00 C ATOM 290 O GLN A 275 18.545 -19.985 -18.252 1.00 0.00 O ATOM 291 CB GLN A 275 17.652 -17.172 -16.911 1.00 0.00 C ATOM 292 CG GLN A 275 17.153 -16.404 -15.685 1.00 0.00 C ATOM 293 CD GLN A 275 17.630 -14.956 -15.746 1.00 0.00 C ATOM 294 OE1 GLN A 275 17.534 -14.314 -16.792 1.00 0.00 O ATOM 295 NE2 GLN A 275 18.141 -14.402 -14.681 1.00 0.00 N ATOM 0 H GLN A 275 18.848 -19.337 -15.734 1.00 0.00 H new ATOM 0 HA GLN A 275 16.087 -18.622 -16.680 1.00 0.00 H new ATOM 0 HB2 GLN A 275 18.741 -17.144 -16.953 1.00 0.00 H new ATOM 0 HB3 GLN A 275 17.285 -16.701 -17.823 1.00 0.00 H new ATOM 0 HG2 GLN A 275 16.064 -16.435 -15.644 1.00 0.00 H new ATOM 0 HG3 GLN A 275 17.520 -16.878 -14.775 1.00 0.00 H new ATOM 0 HE21 GLN A 275 18.219 -14.936 -13.816 1.00 0.00 H new ATOM 0 HE22 GLN A 275 18.462 -13.434 -14.714 1.00 0.00 H new ATOM 304 N ASP A 276 16.612 -19.263 -19.108 1.00 0.00 N ATOM 305 CA ASP A 276 16.842 -19.943 -20.420 1.00 0.00 C ATOM 306 C ASP A 276 17.640 -19.009 -21.338 1.00 0.00 C ATOM 307 O ASP A 276 17.266 -18.772 -22.497 1.00 0.00 O ATOM 308 CB ASP A 276 15.493 -20.313 -21.052 1.00 0.00 C ATOM 309 CG ASP A 276 14.703 -21.214 -20.107 1.00 0.00 C ATOM 310 OD1 ASP A 276 13.737 -20.737 -19.535 1.00 0.00 O ATOM 311 OD2 ASP A 276 15.077 -22.367 -19.970 1.00 0.00 O ATOM 0 H ASP A 276 15.735 -18.746 -19.044 1.00 0.00 H new ATOM 0 HA ASP A 276 17.413 -20.860 -20.272 1.00 0.00 H new ATOM 0 HB2 ASP A 276 14.923 -19.409 -21.267 1.00 0.00 H new ATOM 0 HB3 ASP A 276 15.655 -20.822 -22.002 1.00 0.00 H new ATOM 316 N THR A 277 18.735 -18.477 -20.840 1.00 0.00 N ATOM 317 CA THR A 277 19.583 -17.553 -21.656 1.00 0.00 C ATOM 318 C THR A 277 20.314 -18.355 -22.727 1.00 0.00 C ATOM 319 O THR A 277 20.151 -18.099 -23.925 1.00 0.00 O ATOM 320 CB THR A 277 20.599 -16.844 -20.758 1.00 0.00 C ATOM 321 OG1 THR A 277 21.209 -17.794 -19.896 1.00 0.00 O ATOM 322 CG2 THR A 277 19.890 -15.777 -19.923 1.00 0.00 C ATOM 0 H THR A 277 19.078 -18.647 -19.894 1.00 0.00 H new ATOM 0 HA THR A 277 18.948 -16.804 -22.129 1.00 0.00 H new ATOM 0 HB THR A 277 21.361 -16.370 -21.376 1.00 0.00 H new ATOM 0 HG1 THR A 277 21.862 -17.342 -19.321 1.00 0.00 H new ATOM 0 HG21 THR A 277 20.616 -15.273 -19.284 1.00 0.00 H new ATOM 0 HG22 THR A 277 19.422 -15.048 -20.585 1.00 0.00 H new ATOM 0 HG23 THR A 277 19.126 -16.248 -19.304 1.00 0.00 H new ATOM 330 N ASN A 278 21.113 -19.316 -22.318 1.00 0.00 N ATOM 331 CA ASN A 278 21.871 -20.158 -23.293 1.00 0.00 C ATOM 332 C ASN A 278 21.544 -21.625 -23.034 1.00 0.00 C ATOM 333 O ASN A 278 20.998 -22.310 -23.906 1.00 0.00 O ATOM 334 CB ASN A 278 23.375 -19.923 -23.131 1.00 0.00 C ATOM 335 CG ASN A 278 24.124 -20.485 -24.333 1.00 0.00 C ATOM 336 OD1 ASN A 278 23.910 -20.045 -25.461 1.00 0.00 O ATOM 337 ND2 ASN A 278 24.994 -21.442 -24.156 1.00 0.00 N ATOM 0 H ASN A 278 21.271 -19.552 -21.338 1.00 0.00 H new ATOM 0 HA ASN A 278 21.585 -19.889 -24.310 1.00 0.00 H new ATOM 0 HB2 ASN A 278 23.576 -18.856 -23.033 1.00 0.00 H new ATOM 0 HB3 ASN A 278 23.729 -20.399 -22.217 1.00 0.00 H new ATOM 0 HD21 ASN A 278 25.498 -21.827 -24.955 1.00 0.00 H new ATOM 0 HD22 ASN A 278 25.169 -21.805 -23.219 1.00 0.00 H new ATOM 344 N SER A 279 21.861 -22.112 -21.854 1.00 0.00 N ATOM 345 CA SER A 279 21.573 -23.538 -21.501 1.00 0.00 C ATOM 346 C SER A 279 22.228 -24.463 -22.523 1.00 0.00 C ATOM 347 O SER A 279 21.663 -24.724 -23.591 1.00 0.00 O ATOM 348 CB SER A 279 20.059 -23.784 -21.473 1.00 0.00 C ATOM 349 OG SER A 279 19.389 -22.589 -21.089 1.00 0.00 O ATOM 0 H SER A 279 22.312 -21.574 -21.114 1.00 0.00 H new ATOM 0 HA SER A 279 21.980 -23.746 -20.512 1.00 0.00 H new ATOM 0 HB2 SER A 279 19.714 -24.107 -22.456 1.00 0.00 H new ATOM 0 HB3 SER A 279 19.823 -24.586 -20.773 1.00 0.00 H new ATOM 0 HG SER A 279 18.422 -22.747 -21.073 1.00 0.00 H new ATOM 355 N LYS A 280 23.405 -24.961 -22.214 1.00 0.00 N ATOM 356 CA LYS A 280 24.119 -25.881 -23.151 1.00 0.00 C ATOM 357 C LYS A 280 24.903 -26.901 -22.331 1.00 0.00 C ATOM 358 O LYS A 280 25.819 -26.538 -21.585 1.00 0.00 O ATOM 359 CB LYS A 280 25.073 -25.072 -24.061 1.00 0.00 C ATOM 360 CG LYS A 280 24.761 -25.332 -25.544 1.00 0.00 C ATOM 361 CD LYS A 280 25.607 -24.405 -26.416 1.00 0.00 C ATOM 362 CE LYS A 280 25.122 -24.491 -27.864 1.00 0.00 C ATOM 363 NZ LYS A 280 25.880 -23.520 -28.702 1.00 0.00 N ATOM 0 H LYS A 280 23.902 -24.766 -21.345 1.00 0.00 H new ATOM 0 HA LYS A 280 23.400 -26.399 -23.786 1.00 0.00 H new ATOM 0 HB2 LYS A 280 24.975 -24.008 -23.845 1.00 0.00 H new ATOM 0 HB3 LYS A 280 26.106 -25.346 -23.848 1.00 0.00 H new ATOM 0 HG2 LYS A 280 24.970 -26.373 -25.793 1.00 0.00 H new ATOM 0 HG3 LYS A 280 23.702 -25.164 -25.738 1.00 0.00 H new ATOM 0 HD2 LYS A 280 25.532 -23.379 -26.056 1.00 0.00 H new ATOM 0 HD3 LYS A 280 26.658 -24.688 -26.355 1.00 0.00 H new ATOM 0 HE2 LYS A 280 25.261 -25.503 -28.245 1.00 0.00 H new ATOM 0 HE3 LYS A 280 24.055 -24.275 -27.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 25.550 -23.579 -29.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 25.726 -22.556 -28.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 26.894 -23.746 -28.663 1.00 0.00 H new ATOM 377 N LYS A 281 24.557 -28.163 -22.451 1.00 0.00 N ATOM 378 CA LYS A 281 25.266 -29.235 -21.682 1.00 0.00 C ATOM 379 C LYS A 281 25.707 -30.337 -22.641 1.00 0.00 C ATOM 380 O LYS A 281 25.041 -30.596 -23.649 1.00 0.00 O ATOM 381 CB LYS A 281 24.344 -29.813 -20.592 1.00 0.00 C ATOM 382 CG LYS A 281 23.043 -30.347 -21.214 1.00 0.00 C ATOM 383 CD LYS A 281 22.090 -30.820 -20.107 1.00 0.00 C ATOM 384 CE LYS A 281 21.398 -29.613 -19.463 1.00 0.00 C ATOM 385 NZ LYS A 281 20.714 -30.043 -18.212 1.00 0.00 N ATOM 0 H LYS A 281 23.806 -28.498 -23.055 1.00 0.00 H new ATOM 0 HA LYS A 281 26.143 -28.808 -21.196 1.00 0.00 H new ATOM 0 HB2 LYS A 281 24.857 -30.616 -20.062 1.00 0.00 H new ATOM 0 HB3 LYS A 281 24.113 -29.042 -19.857 1.00 0.00 H new ATOM 0 HG2 LYS A 281 22.566 -29.567 -21.807 1.00 0.00 H new ATOM 0 HG3 LYS A 281 23.265 -31.172 -21.891 1.00 0.00 H new ATOM 0 HD2 LYS A 281 21.345 -31.499 -20.522 1.00 0.00 H new ATOM 0 HD3 LYS A 281 22.644 -31.378 -19.352 1.00 0.00 H new ATOM 0 HE2 LYS A 281 22.130 -28.836 -19.242 1.00 0.00 H new ATOM 0 HE3 LYS A 281 20.675 -29.182 -20.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 20.244 -29.225 -17.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 20.005 -30.770 -18.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 21.414 -30.435 -17.550 1.00 0.00 H new ATOM 399 N GLN A 282 26.814 -30.986 -22.345 1.00 0.00 N ATOM 400 CA GLN A 282 27.321 -32.078 -23.230 1.00 0.00 C ATOM 401 C GLN A 282 27.760 -33.260 -22.372 1.00 0.00 C ATOM 402 O GLN A 282 28.847 -33.239 -21.784 1.00 0.00 O ATOM 403 CB GLN A 282 28.502 -31.575 -24.063 1.00 0.00 C ATOM 404 CG GLN A 282 28.021 -30.492 -25.030 1.00 0.00 C ATOM 405 CD GLN A 282 29.188 -29.990 -25.875 1.00 0.00 C ATOM 406 OE1 GLN A 282 29.907 -30.787 -26.476 1.00 0.00 O ATOM 407 NE2 GLN A 282 29.419 -28.709 -25.956 1.00 0.00 N ATOM 0 H GLN A 282 27.388 -30.801 -21.522 1.00 0.00 H new ATOM 0 HA GLN A 282 26.525 -32.392 -23.905 1.00 0.00 H new ATOM 0 HB2 GLN A 282 29.277 -31.175 -23.409 1.00 0.00 H new ATOM 0 HB3 GLN A 282 28.947 -32.401 -24.618 1.00 0.00 H new ATOM 0 HG2 GLN A 282 27.239 -30.891 -25.676 1.00 0.00 H new ATOM 0 HG3 GLN A 282 27.582 -29.664 -24.473 1.00 0.00 H new ATOM 0 HE21 GLN A 282 28.821 -28.050 -25.457 1.00 0.00 H new ATOM 0 HE22 GLN A 282 30.197 -28.366 -26.519 1.00 0.00 H new ATOM 416 N SER A 283 26.940 -34.284 -22.293 1.00 0.00 N ATOM 417 CA SER A 283 27.290 -35.488 -21.477 1.00 0.00 C ATOM 418 C SER A 283 26.975 -36.744 -22.279 1.00 0.00 C ATOM 419 O SER A 283 25.930 -36.824 -22.933 1.00 0.00 O ATOM 420 CB SER A 283 26.489 -35.490 -20.174 1.00 0.00 C ATOM 421 OG SER A 283 25.150 -35.100 -20.445 1.00 0.00 O ATOM 0 H SER A 283 26.037 -34.335 -22.764 1.00 0.00 H new ATOM 0 HA SER A 283 28.352 -35.465 -21.235 1.00 0.00 H new ATOM 0 HB2 SER A 283 26.507 -36.483 -19.724 1.00 0.00 H new ATOM 0 HB3 SER A 283 26.941 -34.806 -19.455 1.00 0.00 H new ATOM 0 HG SER A 283 24.634 -35.102 -19.612 1.00 0.00 H new ATOM 427 N ASP A 284 27.858 -37.720 -22.244 1.00 0.00 N ATOM 428 CA ASP A 284 27.635 -38.992 -23.006 1.00 0.00 C ATOM 429 C ASP A 284 27.419 -38.666 -24.481 1.00 0.00 C ATOM 430 O ASP A 284 27.430 -37.494 -24.872 1.00 0.00 O ATOM 431 CB ASP A 284 26.415 -39.734 -22.450 1.00 0.00 C ATOM 432 CG ASP A 284 26.692 -40.200 -21.024 1.00 0.00 C ATOM 433 OD1 ASP A 284 25.840 -39.988 -20.177 1.00 0.00 O ATOM 434 OD2 ASP A 284 27.752 -40.761 -20.800 1.00 0.00 O ATOM 0 H ASP A 284 28.730 -37.687 -21.715 1.00 0.00 H new ATOM 0 HA ASP A 284 28.510 -39.633 -22.900 1.00 0.00 H new ATOM 0 HB2 ASP A 284 25.543 -39.080 -22.465 1.00 0.00 H new ATOM 0 HB3 ASP A 284 26.181 -40.591 -23.082 1.00 0.00 H new ATOM 439 N THR A 285 27.227 -39.676 -25.302 1.00 0.00 N ATOM 440 CA THR A 285 27.008 -39.446 -26.765 1.00 0.00 C ATOM 441 C THR A 285 25.792 -38.544 -26.954 1.00 0.00 C ATOM 442 O THR A 285 24.649 -38.997 -26.836 1.00 0.00 O ATOM 443 CB THR A 285 26.781 -40.780 -27.482 1.00 0.00 C ATOM 444 OG1 THR A 285 25.851 -41.560 -26.743 1.00 0.00 O ATOM 445 CG2 THR A 285 28.106 -41.536 -27.594 1.00 0.00 C ATOM 0 H THR A 285 27.213 -40.655 -25.016 1.00 0.00 H new ATOM 0 HA THR A 285 27.890 -38.967 -27.190 1.00 0.00 H new ATOM 0 HB THR A 285 26.388 -40.592 -28.481 1.00 0.00 H new ATOM 0 HG1 THR A 285 25.080 -41.006 -26.500 1.00 0.00 H new ATOM 0 HG21 THR A 285 27.941 -42.485 -28.105 1.00 0.00 H new ATOM 0 HG22 THR A 285 28.819 -40.938 -28.161 1.00 0.00 H new ATOM 0 HG23 THR A 285 28.503 -41.725 -26.596 1.00 0.00 H new