USER MOD reduce.3.24.130724 H: found=0, std=0, add=229, rem=0, adj=9 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 156:sc= -0.126 (180deg=-0.837) USER MOD Single : A 267 MET CE :methyl -140:sc= 0 (180deg=-0.089) 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=-0.00485 X(o=-0.0048,f=0) USER MOD Single : A 277 THR OG1 : rot 180:sc= -0.0587 USER MOD Single : A 278 ASN : amide:sc= -1.02 K(o=-1,f=-3.1!) USER MOD Single : A 279 SER OG : rot -170:sc= -0.0881 USER MOD Single : A 280 LYS NZ :NH3+ -166:sc=-0.00124 (180deg=-0.224) USER MOD Single : A 281 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0251) USER MOD Single : A 282 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 283 SER OG : rot 180:sc= 0 USER MOD Single : A 285 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N PRO A 259 -9.547 -20.123 6.775 1.00 0.00 N ATOM 11 CA PRO A 259 -10.217 -20.043 5.440 1.00 0.00 C ATOM 12 C PRO A 259 -9.465 -20.846 4.378 1.00 0.00 C ATOM 13 O PRO A 259 -8.229 -20.870 4.373 1.00 0.00 O ATOM 14 CB PRO A 259 -10.193 -18.539 5.131 1.00 0.00 C ATOM 15 CG PRO A 259 -9.654 -17.788 6.352 1.00 0.00 C ATOM 16 CD PRO A 259 -9.152 -18.806 7.379 1.00 0.00 C ATOM 0 HA PRO A 259 -11.222 -20.465 5.443 1.00 0.00 H new ATOM 0 HB2 PRO A 259 -9.566 -18.343 4.261 1.00 0.00 H new ATOM 0 HB3 PRO A 259 -11.196 -18.189 4.886 1.00 0.00 H new ATOM 0 HG2 PRO A 259 -8.845 -17.120 6.057 1.00 0.00 H new ATOM 0 HG3 PRO A 259 -10.436 -17.167 6.788 1.00 0.00 H new ATOM 0 HD2 PRO A 259 -8.074 -18.736 7.522 1.00 0.00 H new ATOM 0 HD3 PRO A 259 -9.614 -18.655 8.355 1.00 0.00 H new ATOM 24 N ARG A 260 -10.182 -21.509 3.492 1.00 0.00 N ATOM 25 CA ARG A 260 -9.520 -22.327 2.427 1.00 0.00 C ATOM 26 C ARG A 260 -8.510 -21.461 1.667 1.00 0.00 C ATOM 27 O ARG A 260 -8.683 -20.248 1.522 1.00 0.00 O ATOM 28 CB ARG A 260 -10.609 -22.966 1.500 1.00 0.00 C ATOM 29 CG ARG A 260 -10.063 -23.389 0.108 1.00 0.00 C ATOM 30 CD ARG A 260 -11.200 -23.422 -0.917 1.00 0.00 C ATOM 31 NE ARG A 260 -10.637 -23.426 -2.308 1.00 0.00 N ATOM 32 CZ ARG A 260 -11.344 -23.834 -3.351 1.00 0.00 C ATOM 33 NH1 ARG A 260 -10.794 -23.819 -4.533 1.00 0.00 N ATOM 34 NH2 ARG A 260 -12.584 -24.253 -3.232 1.00 0.00 N ATOM 0 H ARG A 260 -11.202 -21.516 3.465 1.00 0.00 H new ATOM 0 HA ARG A 260 -8.960 -23.151 2.868 1.00 0.00 H new ATOM 0 HB2 ARG A 260 -11.032 -23.839 1.997 1.00 0.00 H new ATOM 0 HB3 ARG A 260 -11.422 -22.253 1.362 1.00 0.00 H new ATOM 0 HG2 ARG A 260 -9.291 -22.690 -0.216 1.00 0.00 H new ATOM 0 HG3 ARG A 260 -9.596 -24.371 0.176 1.00 0.00 H new ATOM 0 HD2 ARG A 260 -11.815 -24.309 -0.762 1.00 0.00 H new ATOM 0 HD3 ARG A 260 -11.849 -22.557 -0.781 1.00 0.00 H new ATOM 0 HE ARG A 260 -9.680 -23.105 -2.455 1.00 0.00 H new ATOM 0 HH11 ARG A 260 -9.833 -23.496 -4.644 1.00 0.00 H new ATOM 0 HH12 ARG A 260 -11.325 -24.130 -5.347 1.00 0.00 H new ATOM 0 HH21 ARG A 260 -13.031 -24.271 -2.315 1.00 0.00 H new ATOM 0 HH22 ARG A 260 -13.100 -24.560 -4.057 1.00 0.00 H new ATOM 48 N LEU A 261 -7.462 -22.093 1.188 1.00 0.00 N ATOM 49 CA LEU A 261 -6.390 -21.384 0.426 1.00 0.00 C ATOM 50 C LEU A 261 -6.256 -22.016 -0.952 1.00 0.00 C ATOM 51 O LEU A 261 -6.859 -23.061 -1.225 1.00 0.00 O ATOM 52 CB LEU A 261 -5.042 -21.487 1.174 1.00 0.00 C ATOM 53 CG LEU A 261 -4.672 -22.966 1.468 1.00 0.00 C ATOM 54 CD1 LEU A 261 -3.985 -23.607 0.245 1.00 0.00 C ATOM 55 CD2 LEU A 261 -3.719 -23.025 2.674 1.00 0.00 C ATOM 0 H LEU A 261 -7.305 -23.095 1.298 1.00 0.00 H new ATOM 0 HA LEU A 261 -6.657 -20.332 0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 261 -4.256 -21.025 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 261 -5.100 -20.931 2.110 1.00 0.00 H new ATOM 0 HG LEU A 261 -5.586 -23.517 1.687 1.00 0.00 H new ATOM 0 HD11 LEU A 261 -3.733 -24.643 0.471 1.00 0.00 H new ATOM 0 HD12 LEU A 261 -4.661 -23.575 -0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 261 -3.075 -23.056 0.009 1.00 0.00 H new ATOM 0 HD21 LEU A 261 -3.458 -24.063 2.881 1.00 0.00 H new ATOM 0 HD22 LEU A 261 -2.813 -22.461 2.450 1.00 0.00 H new ATOM 0 HD23 LEU A 261 -4.209 -22.593 3.546 1.00 0.00 H new ATOM 67 N ARG A 262 -5.461 -21.420 -1.811 1.00 0.00 N ATOM 68 CA ARG A 262 -5.246 -21.983 -3.177 1.00 0.00 C ATOM 69 C ARG A 262 -3.756 -22.284 -3.349 1.00 0.00 C ATOM 70 O ARG A 262 -2.957 -21.998 -2.451 1.00 0.00 O ATOM 71 CB ARG A 262 -5.728 -20.990 -4.245 1.00 0.00 C ATOM 72 CG ARG A 262 -5.960 -21.725 -5.586 1.00 0.00 C ATOM 73 CD ARG A 262 -7.084 -21.064 -6.403 1.00 0.00 C ATOM 74 NE ARG A 262 -8.267 -21.988 -6.454 1.00 0.00 N ATOM 75 CZ ARG A 262 -9.439 -21.603 -6.940 1.00 0.00 C ATOM 76 NH1 ARG A 262 -10.412 -22.468 -7.010 1.00 0.00 N ATOM 77 NH2 ARG A 262 -9.649 -20.373 -7.351 1.00 0.00 N ATOM 0 H ARG A 262 -4.949 -20.559 -1.619 1.00 0.00 H new ATOM 0 HA ARG A 262 -5.820 -22.902 -3.296 1.00 0.00 H new ATOM 0 HB2 ARG A 262 -6.652 -20.512 -3.918 1.00 0.00 H new ATOM 0 HB3 ARG A 262 -4.990 -20.199 -4.377 1.00 0.00 H new ATOM 0 HG2 ARG A 262 -5.038 -21.725 -6.167 1.00 0.00 H new ATOM 0 HG3 ARG A 262 -6.214 -22.767 -5.392 1.00 0.00 H new ATOM 0 HD2 ARG A 262 -7.369 -20.114 -5.950 1.00 0.00 H new ATOM 0 HD3 ARG A 262 -6.735 -20.844 -7.412 1.00 0.00 H new ATOM 0 HE ARG A 262 -8.166 -22.941 -6.104 1.00 0.00 H new ATOM 0 HH11 ARG A 262 -10.266 -23.426 -6.693 1.00 0.00 H new ATOM 0 HH12 ARG A 262 -11.319 -22.186 -7.382 1.00 0.00 H new ATOM 0 HH21 ARG A 262 -8.899 -19.684 -7.301 1.00 0.00 H new ATOM 0 HH22 ARG A 262 -10.562 -20.107 -7.720 1.00 0.00 H new ATOM 91 N LYS A 263 -3.370 -22.864 -4.466 1.00 0.00 N ATOM 92 CA LYS A 263 -1.937 -23.209 -4.710 1.00 0.00 C ATOM 93 C LYS A 263 -1.043 -21.999 -4.432 1.00 0.00 C ATOM 94 O LYS A 263 -1.533 -20.891 -4.187 1.00 0.00 O ATOM 95 CB LYS A 263 -1.752 -23.694 -6.158 1.00 0.00 C ATOM 96 CG LYS A 263 -2.181 -22.597 -7.149 1.00 0.00 C ATOM 97 CD LYS A 263 -1.928 -23.055 -8.591 1.00 0.00 C ATOM 98 CE LYS A 263 -0.426 -23.017 -8.897 1.00 0.00 C ATOM 99 NZ LYS A 263 -0.210 -23.270 -10.350 1.00 0.00 N ATOM 0 H LYS A 263 -4.001 -23.115 -5.227 1.00 0.00 H new ATOM 0 HA LYS A 263 -1.648 -24.012 -4.032 1.00 0.00 H new ATOM 0 HB2 LYS A 263 -0.709 -23.960 -6.329 1.00 0.00 H new ATOM 0 HB3 LYS A 263 -2.342 -24.595 -6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 263 -3.238 -22.367 -7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 263 -1.627 -21.680 -6.949 1.00 0.00 H new ATOM 0 HD2 LYS A 263 -2.311 -24.066 -8.733 1.00 0.00 H new ATOM 0 HD3 LYS A 263 -2.466 -22.410 -9.286 1.00 0.00 H new ATOM 0 HE2 LYS A 263 -0.012 -22.048 -8.620 1.00 0.00 H new ATOM 0 HE3 LYS A 263 0.096 -23.768 -8.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 263 0.808 -23.245 -10.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 263 -0.592 -24.205 -10.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 263 -0.696 -22.538 -10.906 1.00 0.00 H new ATOM 113 N GLY A 264 0.248 -22.204 -4.464 1.00 0.00 N ATOM 114 CA GLY A 264 1.222 -21.100 -4.202 1.00 0.00 C ATOM 115 C GLY A 264 2.234 -21.537 -3.137 1.00 0.00 C ATOM 116 O GLY A 264 2.887 -20.694 -2.514 1.00 0.00 O ATOM 0 H GLY A 264 0.677 -23.107 -4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 264 1.742 -20.836 -5.123 1.00 0.00 H new ATOM 0 HA3 GLY A 264 0.692 -20.208 -3.868 1.00 0.00 H new ATOM 120 N ARG A 265 2.375 -22.832 -2.919 1.00 0.00 N ATOM 121 CA ARG A 265 3.340 -23.349 -1.905 1.00 0.00 C ATOM 122 C ARG A 265 4.748 -22.872 -2.261 1.00 0.00 C ATOM 123 O ARG A 265 5.043 -22.585 -3.426 1.00 0.00 O ATOM 124 CB ARG A 265 3.297 -24.891 -1.896 1.00 0.00 C ATOM 125 CG ARG A 265 2.501 -25.408 -0.688 1.00 0.00 C ATOM 126 CD ARG A 265 1.000 -25.226 -0.922 1.00 0.00 C ATOM 127 NE ARG A 265 0.612 -23.798 -0.678 1.00 0.00 N ATOM 128 CZ ARG A 265 -0.573 -23.321 -1.030 1.00 0.00 C ATOM 129 NH1 ARG A 265 -0.843 -22.065 -0.800 1.00 0.00 N ATOM 130 NH2 ARG A 265 -1.485 -24.081 -1.598 1.00 0.00 N ATOM 0 H ARG A 265 1.851 -23.555 -3.412 1.00 0.00 H new ATOM 0 HA ARG A 265 3.071 -22.977 -0.916 1.00 0.00 H new ATOM 0 HB2 ARG A 265 2.842 -25.252 -2.818 1.00 0.00 H new ATOM 0 HB3 ARG A 265 4.312 -25.287 -1.865 1.00 0.00 H new ATOM 0 HG2 ARG A 265 2.724 -26.462 -0.521 1.00 0.00 H new ATOM 0 HG3 ARG A 265 2.803 -24.872 0.211 1.00 0.00 H new ATOM 0 HD2 ARG A 265 0.746 -25.511 -1.943 1.00 0.00 H new ATOM 0 HD3 ARG A 265 0.438 -25.883 -0.258 1.00 0.00 H new ATOM 0 HE ARG A 265 1.281 -23.174 -0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 265 -0.147 -21.467 -0.356 1.00 0.00 H new ATOM 0 HH12 ARG A 265 -1.750 -21.682 -1.065 1.00 0.00 H new ATOM 0 HH21 ARG A 265 -1.288 -25.066 -1.778 1.00 0.00 H new ATOM 0 HH22 ARG A 265 -2.389 -23.686 -1.858 1.00 0.00 H new ATOM 144 N MET A 266 5.614 -22.788 -1.276 1.00 0.00 N ATOM 145 CA MET A 266 7.022 -22.333 -1.511 1.00 0.00 C ATOM 146 C MET A 266 7.649 -23.128 -2.655 1.00 0.00 C ATOM 147 O MET A 266 7.609 -24.362 -2.664 1.00 0.00 O ATOM 148 CB MET A 266 7.849 -22.533 -0.238 1.00 0.00 C ATOM 149 CG MET A 266 7.410 -21.517 0.818 1.00 0.00 C ATOM 150 SD MET A 266 8.259 -21.862 2.379 1.00 0.00 S ATOM 151 CE MET A 266 9.922 -21.386 1.848 1.00 0.00 C ATOM 0 H MET A 266 5.400 -23.019 -0.306 1.00 0.00 H new ATOM 0 HA MET A 266 7.010 -21.276 -1.776 1.00 0.00 H new ATOM 0 HB2 MET A 266 7.716 -23.547 0.140 1.00 0.00 H new ATOM 0 HB3 MET A 266 8.910 -22.411 -0.457 1.00 0.00 H new ATOM 0 HG2 MET A 266 7.640 -20.506 0.483 1.00 0.00 H new ATOM 0 HG3 MET A 266 6.330 -21.568 0.960 1.00 0.00 H new ATOM 0 HE1 MET A 266 10.517 -21.111 2.719 1.00 0.00 H new ATOM 0 HE2 MET A 266 10.394 -22.224 1.336 1.00 0.00 H new ATOM 0 HE3 MET A 266 9.858 -20.536 1.169 1.00 0.00 H new ATOM 161 N MET A 267 8.228 -22.437 -3.611 1.00 0.00 N ATOM 162 CA MET A 267 8.881 -23.113 -4.776 1.00 0.00 C ATOM 163 C MET A 267 10.367 -22.710 -4.772 1.00 0.00 C ATOM 164 O MET A 267 10.914 -22.436 -3.700 1.00 0.00 O ATOM 165 CB MET A 267 8.184 -22.691 -6.088 1.00 0.00 C ATOM 166 CG MET A 267 6.691 -23.036 -6.030 1.00 0.00 C ATOM 167 SD MET A 267 6.007 -23.029 -7.705 1.00 0.00 S ATOM 168 CE MET A 267 6.505 -24.709 -8.150 1.00 0.00 C ATOM 0 H MET A 267 8.275 -21.418 -3.632 1.00 0.00 H new ATOM 0 HA MET A 267 8.796 -24.197 -4.701 1.00 0.00 H new ATOM 0 HB2 MET A 267 8.311 -21.620 -6.248 1.00 0.00 H new ATOM 0 HB3 MET A 267 8.649 -23.197 -6.934 1.00 0.00 H new ATOM 0 HG2 MET A 267 6.550 -24.015 -5.572 1.00 0.00 H new ATOM 0 HG3 MET A 267 6.164 -22.314 -5.407 1.00 0.00 H new ATOM 0 HE1 MET A 267 6.852 -24.724 -9.183 1.00 0.00 H new ATOM 0 HE2 MET A 267 7.310 -25.036 -7.492 1.00 0.00 H new ATOM 0 HE3 MET A 267 5.653 -25.381 -8.044 1.00 0.00 H new ATOM 178 N ASP A 268 11.027 -22.659 -5.920 1.00 0.00 N ATOM 179 CA ASP A 268 12.471 -22.253 -5.952 1.00 0.00 C ATOM 180 C ASP A 268 12.586 -20.819 -5.429 1.00 0.00 C ATOM 181 O ASP A 268 12.471 -19.855 -6.197 1.00 0.00 O ATOM 182 CB ASP A 268 13.026 -22.331 -7.381 1.00 0.00 C ATOM 183 CG ASP A 268 12.106 -21.589 -8.347 1.00 0.00 C ATOM 184 OD1 ASP A 268 12.433 -20.469 -8.703 1.00 0.00 O ATOM 185 OD2 ASP A 268 11.090 -22.154 -8.717 1.00 0.00 O ATOM 0 H ASP A 268 10.623 -22.882 -6.830 1.00 0.00 H new ATOM 0 HA ASP A 268 13.051 -22.931 -5.326 1.00 0.00 H new ATOM 0 HB2 ASP A 268 14.026 -21.898 -7.414 1.00 0.00 H new ATOM 0 HB3 ASP A 268 13.120 -23.373 -7.686 1.00 0.00 H new ATOM 190 N VAL A 269 12.802 -20.663 -4.140 1.00 0.00 N ATOM 191 CA VAL A 269 12.922 -19.297 -3.539 1.00 0.00 C ATOM 192 C VAL A 269 14.363 -19.082 -3.074 1.00 0.00 C ATOM 193 O VAL A 269 14.938 -18.008 -3.281 1.00 0.00 O ATOM 194 CB VAL A 269 11.937 -19.132 -2.366 1.00 0.00 C ATOM 195 CG1 VAL A 269 10.500 -19.281 -2.880 1.00 0.00 C ATOM 196 CG2 VAL A 269 12.196 -20.195 -1.288 1.00 0.00 C ATOM 0 H VAL A 269 12.901 -21.431 -3.477 1.00 0.00 H new ATOM 0 HA VAL A 269 12.671 -18.547 -4.289 1.00 0.00 H new ATOM 0 HB VAL A 269 12.079 -18.143 -1.930 1.00 0.00 H new ATOM 0 HG11 VAL A 269 9.803 -19.164 -2.050 1.00 0.00 H new ATOM 0 HG12 VAL A 269 10.301 -18.517 -3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 269 10.373 -20.268 -3.324 1.00 0.00 H new ATOM 0 HG21 VAL A 269 11.490 -20.061 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 269 12.068 -21.188 -1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 269 13.213 -20.091 -0.911 1.00 0.00 H new ATOM 206 N LYS A 270 14.955 -20.088 -2.467 1.00 0.00 N ATOM 207 CA LYS A 270 16.375 -19.977 -1.991 1.00 0.00 C ATOM 208 C LYS A 270 17.347 -20.302 -3.138 1.00 0.00 C ATOM 209 O LYS A 270 18.556 -20.088 -3.006 1.00 0.00 O ATOM 210 CB LYS A 270 16.624 -20.949 -0.834 1.00 0.00 C ATOM 211 CG LYS A 270 15.890 -20.467 0.419 1.00 0.00 C ATOM 212 CD LYS A 270 16.231 -21.390 1.590 1.00 0.00 C ATOM 213 CE LYS A 270 15.514 -20.904 2.851 1.00 0.00 C ATOM 214 NZ LYS A 270 15.831 -21.818 3.986 1.00 0.00 N ATOM 0 H LYS A 270 14.512 -20.987 -2.280 1.00 0.00 H new ATOM 0 HA LYS A 270 16.543 -18.955 -1.650 1.00 0.00 H new ATOM 0 HB2 LYS A 270 16.280 -21.947 -1.106 1.00 0.00 H new ATOM 0 HB3 LYS A 270 17.693 -21.023 -0.634 1.00 0.00 H new ATOM 0 HG2 LYS A 270 16.179 -19.442 0.652 1.00 0.00 H new ATOM 0 HG3 LYS A 270 14.814 -20.463 0.245 1.00 0.00 H new ATOM 0 HD2 LYS A 270 15.931 -22.412 1.360 1.00 0.00 H new ATOM 0 HD3 LYS A 270 17.308 -21.403 1.754 1.00 0.00 H new ATOM 0 HE2 LYS A 270 15.826 -19.887 3.091 1.00 0.00 H new ATOM 0 HE3 LYS A 270 14.437 -20.876 2.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 270 15.344 -21.488 4.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 270 15.513 -22.781 3.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 270 16.858 -21.823 4.151 1.00 0.00 H new ATOM 228 N LYS A 271 16.849 -20.815 -4.248 1.00 0.00 N ATOM 229 CA LYS A 271 17.730 -21.165 -5.404 1.00 0.00 C ATOM 230 C LYS A 271 18.020 -19.912 -6.218 1.00 0.00 C ATOM 231 O LYS A 271 17.445 -18.847 -5.969 1.00 0.00 O ATOM 232 CB LYS A 271 17.027 -22.199 -6.302 1.00 0.00 C ATOM 233 CG LYS A 271 17.366 -23.628 -5.850 1.00 0.00 C ATOM 234 CD LYS A 271 18.775 -24.008 -6.329 1.00 0.00 C ATOM 235 CE LYS A 271 18.744 -24.350 -7.824 1.00 0.00 C ATOM 236 NZ LYS A 271 20.119 -24.701 -8.282 1.00 0.00 N ATOM 0 H LYS A 271 15.858 -21.005 -4.397 1.00 0.00 H new ATOM 0 HA LYS A 271 18.663 -21.585 -5.028 1.00 0.00 H new ATOM 0 HB2 LYS A 271 15.948 -22.047 -6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 271 17.334 -22.057 -7.338 1.00 0.00 H new ATOM 0 HG2 LYS A 271 17.311 -23.698 -4.764 1.00 0.00 H new ATOM 0 HG3 LYS A 271 16.634 -24.329 -6.252 1.00 0.00 H new ATOM 0 HD2 LYS A 271 19.464 -23.183 -6.150 1.00 0.00 H new ATOM 0 HD3 LYS A 271 19.144 -24.861 -5.760 1.00 0.00 H new ATOM 0 HE2 LYS A 271 18.065 -25.184 -8.003 1.00 0.00 H new ATOM 0 HE3 LYS A 271 18.365 -23.502 -8.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 271 20.099 -24.933 -9.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 271 20.754 -23.893 -8.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 271 20.464 -25.522 -7.746 1.00 0.00 H new ATOM 250 N CYS A 272 18.888 -20.031 -7.198 1.00 0.00 N ATOM 251 CA CYS A 272 19.223 -18.867 -8.074 1.00 0.00 C ATOM 252 C CYS A 272 18.006 -18.492 -8.927 1.00 0.00 C ATOM 253 O CYS A 272 17.970 -17.400 -9.503 1.00 0.00 O ATOM 254 CB CYS A 272 20.399 -19.224 -8.989 1.00 0.00 C ATOM 255 SG CYS A 272 21.953 -18.821 -8.154 1.00 0.00 S ATOM 0 H CYS A 272 19.381 -20.894 -7.428 1.00 0.00 H new ATOM 0 HA CYS A 272 19.500 -18.020 -7.447 1.00 0.00 H new ATOM 0 HB2 CYS A 272 20.372 -20.285 -9.238 1.00 0.00 H new ATOM 0 HB3 CYS A 272 20.324 -18.674 -9.927 1.00 0.00 H new ATOM 0 HG CYS A 272 22.953 -19.125 -8.927 1.00 0.00 H new ATOM 261 N GLY A 273 17.023 -19.372 -9.035 1.00 0.00 N ATOM 262 CA GLY A 273 15.820 -19.070 -9.866 1.00 0.00 C ATOM 263 C GLY A 273 16.216 -19.152 -11.333 1.00 0.00 C ATOM 264 O GLY A 273 16.324 -18.134 -12.023 1.00 0.00 O ATOM 0 H GLY A 273 17.012 -20.284 -8.579 1.00 0.00 H new ATOM 0 HA2 GLY A 273 15.021 -19.779 -9.649 1.00 0.00 H new ATOM 0 HA3 GLY A 273 15.437 -18.077 -9.632 1.00 0.00 H new ATOM 268 N ILE A 274 16.444 -20.352 -11.802 1.00 0.00 N ATOM 269 CA ILE A 274 16.857 -20.578 -13.225 1.00 0.00 C ATOM 270 C ILE A 274 15.829 -19.924 -14.147 1.00 0.00 C ATOM 271 O ILE A 274 14.629 -19.931 -13.855 1.00 0.00 O ATOM 272 CB ILE A 274 16.950 -22.091 -13.529 1.00 0.00 C ATOM 273 CG1 ILE A 274 17.849 -22.812 -12.477 1.00 0.00 C ATOM 274 CG2 ILE A 274 17.498 -22.314 -14.951 1.00 0.00 C ATOM 275 CD1 ILE A 274 19.331 -22.384 -12.564 1.00 0.00 C ATOM 0 H ILE A 274 16.360 -21.204 -11.248 1.00 0.00 H new ATOM 0 HA ILE A 274 17.839 -20.136 -13.390 1.00 0.00 H new ATOM 0 HB ILE A 274 15.949 -22.518 -13.469 1.00 0.00 H new ATOM 0 HG12 ILE A 274 17.472 -22.599 -11.477 1.00 0.00 H new ATOM 0 HG13 ILE A 274 17.777 -23.890 -12.622 1.00 0.00 H new ATOM 0 HG21 ILE A 274 17.559 -23.383 -15.154 1.00 0.00 H new ATOM 0 HG22 ILE A 274 16.832 -21.845 -15.675 1.00 0.00 H new ATOM 0 HG23 ILE A 274 18.491 -21.872 -15.032 1.00 0.00 H new ATOM 0 HD11 ILE A 274 19.909 -22.917 -11.809 1.00 0.00 H new ATOM 0 HD12 ILE A 274 19.721 -22.621 -13.554 1.00 0.00 H new ATOM 0 HD13 ILE A 274 19.411 -21.311 -12.391 1.00 0.00 H new ATOM 287 N GLN A 275 16.283 -19.356 -15.242 1.00 0.00 N ATOM 288 CA GLN A 275 15.353 -18.682 -16.202 1.00 0.00 C ATOM 289 C GLN A 275 15.504 -19.314 -17.584 1.00 0.00 C ATOM 290 O GLN A 275 16.625 -19.493 -18.075 1.00 0.00 O ATOM 291 CB GLN A 275 15.650 -17.172 -16.270 1.00 0.00 C ATOM 292 CG GLN A 275 17.117 -16.927 -16.659 1.00 0.00 C ATOM 293 CD GLN A 275 17.455 -15.446 -16.515 1.00 0.00 C ATOM 294 OE1 GLN A 275 17.816 -14.791 -17.493 1.00 0.00 O ATOM 295 NE2 GLN A 275 17.355 -14.877 -15.346 1.00 0.00 N ATOM 0 H GLN A 275 17.266 -19.332 -15.512 1.00 0.00 H new ATOM 0 HA GLN A 275 14.328 -18.812 -15.856 1.00 0.00 H new ATOM 0 HB2 GLN A 275 14.991 -16.699 -16.998 1.00 0.00 H new ATOM 0 HB3 GLN A 275 15.442 -16.711 -15.304 1.00 0.00 H new ATOM 0 HG2 GLN A 275 17.774 -17.522 -16.025 1.00 0.00 H new ATOM 0 HG3 GLN A 275 17.288 -17.249 -17.686 1.00 0.00 H new ATOM 0 HE21 GLN A 275 17.056 -15.422 -14.537 1.00 0.00 H new ATOM 0 HE22 GLN A 275 17.576 -13.887 -15.240 1.00 0.00 H new ATOM 304 N ASP A 276 14.400 -19.646 -18.216 1.00 0.00 N ATOM 305 CA ASP A 276 14.449 -20.268 -19.576 1.00 0.00 C ATOM 306 C ASP A 276 13.679 -19.386 -20.555 1.00 0.00 C ATOM 307 O ASP A 276 12.465 -19.549 -20.740 1.00 0.00 O ATOM 308 CB ASP A 276 13.839 -21.673 -19.537 1.00 0.00 C ATOM 309 CG ASP A 276 14.628 -22.560 -18.580 1.00 0.00 C ATOM 310 OD1 ASP A 276 14.021 -23.112 -17.678 1.00 0.00 O ATOM 311 OD2 ASP A 276 15.829 -22.675 -18.765 1.00 0.00 O ATOM 0 H ASP A 276 13.461 -19.510 -17.842 1.00 0.00 H new ATOM 0 HA ASP A 276 15.486 -20.353 -19.901 1.00 0.00 H new ATOM 0 HB2 ASP A 276 12.798 -21.617 -19.219 1.00 0.00 H new ATOM 0 HB3 ASP A 276 13.844 -22.108 -20.536 1.00 0.00 H new ATOM 316 N THR A 277 14.362 -18.454 -21.181 1.00 0.00 N ATOM 317 CA THR A 277 13.696 -17.541 -22.159 1.00 0.00 C ATOM 318 C THR A 277 13.578 -18.255 -23.502 1.00 0.00 C ATOM 319 O THR A 277 12.468 -18.503 -23.984 1.00 0.00 O ATOM 320 CB THR A 277 14.512 -16.253 -22.318 1.00 0.00 C ATOM 321 OG1 THR A 277 15.838 -16.580 -22.705 1.00 0.00 O ATOM 322 CG2 THR A 277 14.538 -15.495 -20.991 1.00 0.00 C ATOM 0 H THR A 277 15.360 -18.288 -21.053 1.00 0.00 H new ATOM 0 HA THR A 277 12.703 -17.278 -21.795 1.00 0.00 H new ATOM 0 HB THR A 277 14.054 -15.625 -23.082 1.00 0.00 H new ATOM 0 HG1 THR A 277 16.361 -15.758 -22.809 1.00 0.00 H new ATOM 0 HG21 THR A 277 15.119 -14.580 -21.106 1.00 0.00 H new ATOM 0 HG22 THR A 277 13.519 -15.244 -20.695 1.00 0.00 H new ATOM 0 HG23 THR A 277 14.995 -16.120 -20.224 1.00 0.00 H new ATOM 330 N ASN A 278 14.696 -18.594 -24.107 1.00 0.00 N ATOM 331 CA ASN A 278 14.675 -19.304 -25.425 1.00 0.00 C ATOM 332 C ASN A 278 15.528 -20.578 -25.340 1.00 0.00 C ATOM 333 O ASN A 278 16.084 -21.033 -26.347 1.00 0.00 O ATOM 334 CB ASN A 278 15.214 -18.375 -26.520 1.00 0.00 C ATOM 335 CG ASN A 278 16.606 -17.878 -26.145 1.00 0.00 C ATOM 336 OD1 ASN A 278 17.468 -18.671 -25.765 1.00 0.00 O ATOM 337 ND2 ASN A 278 16.878 -16.605 -26.229 1.00 0.00 N ATOM 0 H ASN A 278 15.628 -18.406 -23.739 1.00 0.00 H new ATOM 0 HA ASN A 278 13.650 -19.582 -25.672 1.00 0.00 H new ATOM 0 HB2 ASN A 278 15.253 -18.905 -27.472 1.00 0.00 H new ATOM 0 HB3 ASN A 278 14.541 -17.528 -26.654 1.00 0.00 H new ATOM 0 HD21 ASN A 278 17.807 -16.264 -25.980 1.00 0.00 H new ATOM 0 HD22 ASN A 278 16.162 -15.950 -26.544 1.00 0.00 H new ATOM 344 N SER A 279 15.641 -21.159 -24.160 1.00 0.00 N ATOM 345 CA SER A 279 16.455 -22.403 -23.988 1.00 0.00 C ATOM 346 C SER A 279 15.644 -23.611 -24.442 1.00 0.00 C ATOM 347 O SER A 279 14.418 -23.534 -24.576 1.00 0.00 O ATOM 348 CB SER A 279 16.850 -22.574 -22.522 1.00 0.00 C ATOM 349 OG SER A 279 15.691 -22.883 -21.760 1.00 0.00 O ATOM 0 H SER A 279 15.199 -20.817 -23.307 1.00 0.00 H new ATOM 0 HA SER A 279 17.359 -22.322 -24.592 1.00 0.00 H new ATOM 0 HB2 SER A 279 17.589 -23.369 -22.422 1.00 0.00 H new ATOM 0 HB3 SER A 279 17.313 -21.661 -22.148 1.00 0.00 H new ATOM 0 HG SER A 279 15.905 -22.834 -20.805 1.00 0.00 H new ATOM 355 N LYS A 280 16.308 -24.721 -24.679 1.00 0.00 N ATOM 356 CA LYS A 280 15.607 -25.962 -25.127 1.00 0.00 C ATOM 357 C LYS A 280 16.213 -27.166 -24.411 1.00 0.00 C ATOM 358 O LYS A 280 17.392 -27.149 -24.045 1.00 0.00 O ATOM 359 CB LYS A 280 15.761 -26.136 -26.637 1.00 0.00 C ATOM 360 CG LYS A 280 14.982 -25.040 -27.363 1.00 0.00 C ATOM 361 CD LYS A 280 15.146 -25.220 -28.871 1.00 0.00 C ATOM 362 CE LYS A 280 14.467 -24.060 -29.597 1.00 0.00 C ATOM 363 NZ LYS A 280 12.991 -24.162 -29.419 1.00 0.00 N ATOM 0 H LYS A 280 17.319 -24.817 -24.579 1.00 0.00 H new ATOM 0 HA LYS A 280 14.547 -25.883 -24.886 1.00 0.00 H new ATOM 0 HB2 LYS A 280 16.815 -26.090 -26.913 1.00 0.00 H new ATOM 0 HB3 LYS A 280 15.395 -27.117 -26.939 1.00 0.00 H new ATOM 0 HG2 LYS A 280 13.927 -25.087 -27.092 1.00 0.00 H new ATOM 0 HG3 LYS A 280 15.346 -24.058 -27.061 1.00 0.00 H new ATOM 0 HD2 LYS A 280 16.204 -25.257 -29.131 1.00 0.00 H new ATOM 0 HD3 LYS A 280 14.707 -26.167 -29.185 1.00 0.00 H new ATOM 0 HE2 LYS A 280 14.827 -23.109 -29.204 1.00 0.00 H new ATOM 0 HE3 LYS A 280 14.719 -24.082 -30.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 12.515 -23.529 -30.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 12.688 -25.142 -29.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 12.739 -23.886 -28.448 1.00 0.00 H new ATOM 377 N LYS A 281 15.431 -28.206 -24.208 1.00 0.00 N ATOM 378 CA LYS A 281 15.943 -29.430 -23.514 1.00 0.00 C ATOM 379 C LYS A 281 15.775 -30.640 -24.432 1.00 0.00 C ATOM 380 O LYS A 281 14.996 -30.598 -25.391 1.00 0.00 O ATOM 381 CB LYS A 281 15.177 -29.664 -22.204 1.00 0.00 C ATOM 382 CG LYS A 281 15.683 -28.704 -21.110 1.00 0.00 C ATOM 383 CD LYS A 281 14.935 -27.365 -21.191 1.00 0.00 C ATOM 384 CE LYS A 281 15.471 -26.408 -20.123 1.00 0.00 C ATOM 385 NZ LYS A 281 14.925 -26.795 -18.791 1.00 0.00 N ATOM 0 H LYS A 281 14.454 -28.256 -24.497 1.00 0.00 H new ATOM 0 HA LYS A 281 16.998 -29.289 -23.280 1.00 0.00 H new ATOM 0 HB2 LYS A 281 14.110 -29.511 -22.366 1.00 0.00 H new ATOM 0 HB3 LYS A 281 15.305 -30.697 -21.879 1.00 0.00 H new ATOM 0 HG2 LYS A 281 15.536 -29.152 -20.127 1.00 0.00 H new ATOM 0 HG3 LYS A 281 16.754 -28.538 -21.228 1.00 0.00 H new ATOM 0 HD2 LYS A 281 15.060 -26.927 -22.181 1.00 0.00 H new ATOM 0 HD3 LYS A 281 13.867 -27.525 -21.046 1.00 0.00 H new ATOM 0 HE2 LYS A 281 16.560 -26.440 -20.105 1.00 0.00 H new ATOM 0 HE3 LYS A 281 15.186 -25.383 -20.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 15.191 -26.079 -18.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 13.888 -26.859 -18.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 15.314 -27.718 -18.511 1.00 0.00 H new ATOM 399 N GLN A 282 16.492 -31.708 -24.156 1.00 0.00 N ATOM 400 CA GLN A 282 16.398 -32.942 -25.003 1.00 0.00 C ATOM 401 C GLN A 282 16.259 -34.171 -24.102 1.00 0.00 C ATOM 402 O GLN A 282 16.503 -34.095 -22.893 1.00 0.00 O ATOM 403 CB GLN A 282 17.643 -33.079 -25.897 1.00 0.00 C ATOM 404 CG GLN A 282 18.924 -33.091 -25.050 1.00 0.00 C ATOM 405 CD GLN A 282 20.150 -33.088 -25.959 1.00 0.00 C ATOM 406 OE1 GLN A 282 20.442 -32.084 -26.607 1.00 0.00 O ATOM 407 NE2 GLN A 282 20.886 -34.163 -26.047 1.00 0.00 N ATOM 0 H GLN A 282 17.143 -31.776 -23.374 1.00 0.00 H new ATOM 0 HA GLN A 282 15.521 -32.864 -25.646 1.00 0.00 H new ATOM 0 HB2 GLN A 282 17.578 -33.998 -26.480 1.00 0.00 H new ATOM 0 HB3 GLN A 282 17.679 -32.253 -26.607 1.00 0.00 H new ATOM 0 HG2 GLN A 282 18.945 -32.220 -24.395 1.00 0.00 H new ATOM 0 HG3 GLN A 282 18.938 -33.973 -24.409 1.00 0.00 H new ATOM 0 HE21 GLN A 282 20.641 -34.994 -25.508 1.00 0.00 H new ATOM 0 HE22 GLN A 282 21.706 -34.172 -26.654 1.00 0.00 H new ATOM 416 N SER A 283 15.876 -35.294 -24.672 1.00 0.00 N ATOM 417 CA SER A 283 15.716 -36.551 -23.874 1.00 0.00 C ATOM 418 C SER A 283 16.355 -37.711 -24.632 1.00 0.00 C ATOM 419 O SER A 283 16.822 -37.540 -25.762 1.00 0.00 O ATOM 420 CB SER A 283 14.233 -36.846 -23.640 1.00 0.00 C ATOM 421 OG SER A 283 13.610 -35.702 -23.071 1.00 0.00 O ATOM 0 H SER A 283 15.666 -35.391 -25.666 1.00 0.00 H new ATOM 0 HA SER A 283 16.205 -36.426 -22.908 1.00 0.00 H new ATOM 0 HB2 SER A 283 13.749 -37.107 -24.581 1.00 0.00 H new ATOM 0 HB3 SER A 283 14.121 -37.703 -22.976 1.00 0.00 H new ATOM 0 HG SER A 283 12.659 -35.888 -22.921 1.00 0.00 H new ATOM 427 N ASP A 284 16.385 -38.883 -24.032 1.00 0.00 N ATOM 428 CA ASP A 284 16.996 -40.076 -24.701 1.00 0.00 C ATOM 429 C ASP A 284 16.271 -40.352 -26.015 1.00 0.00 C ATOM 430 O ASP A 284 16.888 -40.344 -27.085 1.00 0.00 O ATOM 431 CB ASP A 284 16.894 -41.303 -23.792 1.00 0.00 C ATOM 432 CG ASP A 284 17.804 -41.129 -22.582 1.00 0.00 C ATOM 433 OD1 ASP A 284 19.004 -41.024 -22.779 1.00 0.00 O ATOM 434 OD2 ASP A 284 17.290 -41.103 -21.476 1.00 0.00 O ATOM 0 H ASP A 284 16.009 -39.062 -23.101 1.00 0.00 H new ATOM 0 HA ASP A 284 18.048 -39.870 -24.900 1.00 0.00 H new ATOM 0 HB2 ASP A 284 15.863 -41.440 -23.466 1.00 0.00 H new ATOM 0 HB3 ASP A 284 17.176 -42.200 -24.344 1.00 0.00 H new ATOM 439 N THR A 285 14.980 -40.595 -25.953 1.00 0.00 N ATOM 440 CA THR A 285 14.190 -40.877 -27.191 1.00 0.00 C ATOM 441 C THR A 285 14.245 -39.660 -28.108 1.00 0.00 C ATOM 442 O THR A 285 14.197 -38.519 -27.636 1.00 0.00 O ATOM 443 CB THR A 285 12.735 -41.186 -26.831 1.00 0.00 C ATOM 444 OG1 THR A 285 12.703 -42.133 -25.773 1.00 0.00 O ATOM 445 CG2 THR A 285 12.012 -41.757 -28.053 1.00 0.00 C ATOM 0 H THR A 285 14.439 -40.609 -25.089 1.00 0.00 H new ATOM 0 HA THR A 285 14.616 -41.742 -27.700 1.00 0.00 H new ATOM 0 HB THR A 285 12.237 -40.270 -26.515 1.00 0.00 H new ATOM 0 HG1 THR A 285 11.772 -42.331 -25.539 1.00 0.00 H new ATOM 0 HG21 THR A 285 10.976 -41.976 -27.794 1.00 0.00 H new ATOM 0 HG22 THR A 285 12.037 -41.029 -28.864 1.00 0.00 H new ATOM 0 HG23 THR A 285 12.507 -42.674 -28.373 1.00 0.00 H new