USER MOD reduce.3.24.130724 H: found=0, std=0, add=229, rem=0, adj=8 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 155:sc= -0.147 (180deg=-0.901) USER MOD Single : A 267 MET CE :methyl -144:sc= 0 (180deg=-0.0403) USER MOD Single : A 270 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 271 LYS NZ :NH3+ -104:sc= 0.237 (180deg=-0.573) USER MOD Single : A 272 CYS SG : rot 180:sc= 0 USER MOD Single : A 275 GLN : amide:sc= -0.285 X(o=-0.28,f=-0.26) USER MOD Single : A 277 THR OG1 : rot 180:sc= 0 USER MOD Single : A 278 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 279 SER OG : rot 109:sc= 0.108 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= -0.0506 K(o=-0.051,f=-0.88) 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 -11.797 -19.174 3.077 1.00 0.00 N ATOM 11 CA PRO A 259 -11.029 -19.298 4.354 1.00 0.00 C ATOM 12 C PRO A 259 -9.724 -20.073 4.172 1.00 0.00 C ATOM 13 O PRO A 259 -8.644 -19.569 4.496 1.00 0.00 O ATOM 14 CB PRO A 259 -12.004 -20.053 5.265 1.00 0.00 C ATOM 15 CG PRO A 259 -13.381 -20.080 4.596 1.00 0.00 C ATOM 16 CD PRO A 259 -13.234 -19.609 3.148 1.00 0.00 C ATOM 0 HA PRO A 259 -10.717 -18.333 4.753 1.00 0.00 H new ATOM 0 HB2 PRO A 259 -11.649 -21.069 5.439 1.00 0.00 H new ATOM 0 HB3 PRO A 259 -12.066 -19.566 6.238 1.00 0.00 H new ATOM 0 HG2 PRO A 259 -13.795 -21.088 4.625 1.00 0.00 H new ATOM 0 HG3 PRO A 259 -14.075 -19.435 5.134 1.00 0.00 H new ATOM 0 HD2 PRO A 259 -13.449 -20.409 2.440 1.00 0.00 H new ATOM 0 HD3 PRO A 259 -13.915 -18.790 2.919 1.00 0.00 H new ATOM 24 N ARG A 260 -9.813 -21.284 3.669 1.00 0.00 N ATOM 25 CA ARG A 260 -8.594 -22.121 3.462 1.00 0.00 C ATOM 26 C ARG A 260 -7.635 -21.409 2.493 1.00 0.00 C ATOM 27 O ARG A 260 -7.798 -20.216 2.217 1.00 0.00 O ATOM 28 CB ARG A 260 -9.004 -23.533 2.963 1.00 0.00 C ATOM 29 CG ARG A 260 -9.444 -23.539 1.476 1.00 0.00 C ATOM 30 CD ARG A 260 -10.945 -23.256 1.347 1.00 0.00 C ATOM 31 NE ARG A 260 -11.357 -23.325 -0.094 1.00 0.00 N ATOM 32 CZ ARG A 260 -12.628 -23.432 -0.457 1.00 0.00 C ATOM 33 NH1 ARG A 260 -12.923 -23.484 -1.726 1.00 0.00 N ATOM 34 NH2 ARG A 260 -13.601 -23.489 0.426 1.00 0.00 N ATOM 0 H ARG A 260 -10.688 -21.729 3.392 1.00 0.00 H new ATOM 0 HA ARG A 260 -8.064 -22.253 4.405 1.00 0.00 H new ATOM 0 HB2 ARG A 260 -8.165 -24.217 3.092 1.00 0.00 H new ATOM 0 HB3 ARG A 260 -9.820 -23.909 3.580 1.00 0.00 H new ATOM 0 HG2 ARG A 260 -8.880 -22.788 0.923 1.00 0.00 H new ATOM 0 HG3 ARG A 260 -9.213 -24.505 1.028 1.00 0.00 H new ATOM 0 HD2 ARG A 260 -11.512 -23.981 1.931 1.00 0.00 H new ATOM 0 HD3 ARG A 260 -11.174 -22.271 1.753 1.00 0.00 H new ATOM 0 HE ARG A 260 -10.638 -23.289 -0.816 1.00 0.00 H new ATOM 0 HH11 ARG A 260 -12.181 -23.442 -2.424 1.00 0.00 H new ATOM 0 HH12 ARG A 260 -13.896 -23.566 -2.020 1.00 0.00 H new ATOM 0 HH21 ARG A 260 -13.388 -23.451 1.423 1.00 0.00 H new ATOM 0 HH22 ARG A 260 -14.569 -23.571 0.114 1.00 0.00 H new ATOM 48 N LEU A 261 -6.654 -22.121 1.973 1.00 0.00 N ATOM 49 CA LEU A 261 -5.682 -21.507 1.013 1.00 0.00 C ATOM 50 C LEU A 261 -5.783 -22.221 -0.329 1.00 0.00 C ATOM 51 O LEU A 261 -6.326 -23.329 -0.409 1.00 0.00 O ATOM 52 CB LEU A 261 -4.242 -21.604 1.559 1.00 0.00 C ATOM 53 CG LEU A 261 -3.859 -23.072 1.876 1.00 0.00 C ATOM 54 CD1 LEU A 261 -3.363 -23.788 0.603 1.00 0.00 C ATOM 55 CD2 LEU A 261 -2.744 -23.092 2.934 1.00 0.00 C ATOM 0 H LEU A 261 -6.488 -23.107 2.177 1.00 0.00 H new ATOM 0 HA LEU A 261 -5.926 -20.452 0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 261 -3.545 -21.194 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 261 -4.151 -20.999 2.461 1.00 0.00 H new ATOM 0 HG LEU A 261 -4.741 -23.590 2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 261 -3.098 -24.818 0.844 1.00 0.00 H new ATOM 0 HD12 LEU A 261 -4.153 -23.783 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU A 261 -2.487 -23.270 0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 261 -2.474 -24.124 3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 261 -1.871 -22.563 2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 261 -3.096 -22.604 3.843 1.00 0.00 H new ATOM 67 N ARG A 262 -5.266 -21.617 -1.376 1.00 0.00 N ATOM 68 CA ARG A 262 -5.309 -22.255 -2.730 1.00 0.00 C ATOM 69 C ARG A 262 -3.876 -22.574 -3.162 1.00 0.00 C ATOM 70 O ARG A 262 -2.935 -22.370 -2.389 1.00 0.00 O ATOM 71 CB ARG A 262 -5.987 -21.306 -3.736 1.00 0.00 C ATOM 72 CG ARG A 262 -6.594 -22.104 -4.923 1.00 0.00 C ATOM 73 CD ARG A 262 -7.940 -21.507 -5.374 1.00 0.00 C ATOM 74 NE ARG A 262 -9.076 -22.327 -4.832 1.00 0.00 N ATOM 75 CZ ARG A 262 -10.324 -21.883 -4.830 1.00 0.00 C ATOM 76 NH1 ARG A 262 -11.267 -22.646 -4.350 1.00 0.00 N ATOM 77 NH2 ARG A 262 -10.640 -20.693 -5.295 1.00 0.00 N ATOM 0 H ARG A 262 -4.814 -20.703 -1.348 1.00 0.00 H new ATOM 0 HA ARG A 262 -5.889 -23.177 -2.695 1.00 0.00 H new ATOM 0 HB2 ARG A 262 -6.771 -20.737 -3.235 1.00 0.00 H new ATOM 0 HB3 ARG A 262 -5.260 -20.585 -4.110 1.00 0.00 H new ATOM 0 HG2 ARG A 262 -5.895 -22.102 -5.760 1.00 0.00 H new ATOM 0 HG3 ARG A 262 -6.736 -23.144 -4.629 1.00 0.00 H new ATOM 0 HD2 ARG A 262 -8.025 -20.478 -5.025 1.00 0.00 H new ATOM 0 HD3 ARG A 262 -7.988 -21.480 -6.463 1.00 0.00 H new ATOM 0 HE ARG A 262 -8.880 -23.254 -4.454 1.00 0.00 H new ATOM 0 HH11 ARG A 262 -11.038 -23.570 -3.983 1.00 0.00 H new ATOM 0 HH12 ARG A 262 -12.233 -22.319 -4.341 1.00 0.00 H new ATOM 0 HH21 ARG A 262 -9.914 -20.083 -5.671 1.00 0.00 H new ATOM 0 HH22 ARG A 262 -11.611 -20.381 -5.279 1.00 0.00 H new ATOM 91 N LYS A 263 -3.693 -23.079 -4.365 1.00 0.00 N ATOM 92 CA LYS A 263 -2.327 -23.431 -4.859 1.00 0.00 C ATOM 93 C LYS A 263 -1.398 -22.219 -4.744 1.00 0.00 C ATOM 94 O LYS A 263 -1.800 -21.158 -4.254 1.00 0.00 O ATOM 95 CB LYS A 263 -2.407 -23.919 -6.317 1.00 0.00 C ATOM 96 CG LYS A 263 -3.016 -22.830 -7.216 1.00 0.00 C ATOM 97 CD LYS A 263 -3.034 -23.302 -8.675 1.00 0.00 C ATOM 98 CE LYS A 263 -1.616 -23.256 -9.255 1.00 0.00 C ATOM 99 NZ LYS A 263 -1.671 -23.517 -10.721 1.00 0.00 N ATOM 0 H LYS A 263 -4.445 -23.262 -5.029 1.00 0.00 H new ATOM 0 HA LYS A 263 -1.920 -24.235 -4.246 1.00 0.00 H new ATOM 0 HB2 LYS A 263 -1.411 -24.179 -6.675 1.00 0.00 H new ATOM 0 HB3 LYS A 263 -3.012 -24.824 -6.371 1.00 0.00 H new ATOM 0 HG2 LYS A 263 -4.030 -22.601 -6.887 1.00 0.00 H new ATOM 0 HG3 LYS A 263 -2.437 -21.910 -7.130 1.00 0.00 H new ATOM 0 HD2 LYS A 263 -3.428 -24.317 -8.733 1.00 0.00 H new ATOM 0 HD3 LYS A 263 -3.698 -22.668 -9.263 1.00 0.00 H new ATOM 0 HE2 LYS A 263 -1.165 -22.282 -9.065 1.00 0.00 H new ATOM 0 HE3 LYS A 263 -0.987 -24.000 -8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 263 -0.709 -23.486 -11.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 263 -2.085 -24.456 -10.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 263 -2.257 -22.792 -11.181 1.00 0.00 H new ATOM 113 N GLY A 264 -0.166 -22.367 -5.175 1.00 0.00 N ATOM 114 CA GLY A 264 0.825 -21.250 -5.092 1.00 0.00 C ATOM 115 C GLY A 264 1.760 -21.481 -3.902 1.00 0.00 C ATOM 116 O GLY A 264 2.286 -20.523 -3.327 1.00 0.00 O ATOM 0 H GLY A 264 0.197 -23.227 -5.586 1.00 0.00 H new ATOM 0 HA2 GLY A 264 1.402 -21.193 -6.015 1.00 0.00 H new ATOM 0 HA3 GLY A 264 0.306 -20.298 -4.981 1.00 0.00 H new ATOM 120 N ARG A 265 1.972 -22.728 -3.523 1.00 0.00 N ATOM 121 CA ARG A 265 2.871 -23.038 -2.365 1.00 0.00 C ATOM 122 C ARG A 265 4.299 -22.604 -2.694 1.00 0.00 C ATOM 123 O ARG A 265 4.591 -22.207 -3.826 1.00 0.00 O ATOM 124 CB ARG A 265 2.831 -24.543 -2.043 1.00 0.00 C ATOM 125 CG ARG A 265 3.247 -25.366 -3.271 1.00 0.00 C ATOM 126 CD ARG A 265 3.186 -26.856 -2.934 1.00 0.00 C ATOM 127 NE ARG A 265 3.686 -27.666 -4.096 1.00 0.00 N ATOM 128 CZ ARG A 265 3.987 -28.952 -3.978 1.00 0.00 C ATOM 129 NH1 ARG A 265 4.427 -29.597 -5.023 1.00 0.00 N ATOM 130 NH2 ARG A 265 3.851 -29.597 -2.840 1.00 0.00 N ATOM 0 H ARG A 265 1.556 -23.544 -3.972 1.00 0.00 H new ATOM 0 HA ARG A 265 2.524 -22.490 -1.489 1.00 0.00 H new ATOM 0 HB2 ARG A 265 3.498 -24.760 -1.209 1.00 0.00 H new ATOM 0 HB3 ARG A 265 1.826 -24.828 -1.730 1.00 0.00 H new ATOM 0 HG2 ARG A 265 2.587 -25.145 -4.110 1.00 0.00 H new ATOM 0 HG3 ARG A 265 4.256 -25.093 -3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 265 3.789 -27.062 -2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 265 2.162 -27.142 -2.695 1.00 0.00 H new ATOM 0 HE ARG A 265 3.797 -27.213 -5.003 1.00 0.00 H new ATOM 0 HH11 ARG A 265 4.535 -29.112 -5.914 1.00 0.00 H new ATOM 0 HH12 ARG A 265 4.663 -30.587 -4.949 1.00 0.00 H new ATOM 0 HH21 ARG A 265 3.505 -29.108 -2.015 1.00 0.00 H new ATOM 0 HH22 ARG A 265 4.092 -30.587 -2.783 1.00 0.00 H new ATOM 144 N MET A 266 5.182 -22.673 -1.724 1.00 0.00 N ATOM 145 CA MET A 266 6.605 -22.270 -1.942 1.00 0.00 C ATOM 146 C MET A 266 7.205 -23.089 -3.082 1.00 0.00 C ATOM 147 O MET A 266 7.130 -24.323 -3.080 1.00 0.00 O ATOM 148 CB MET A 266 7.414 -22.501 -0.663 1.00 0.00 C ATOM 149 CG MET A 266 6.946 -21.527 0.420 1.00 0.00 C ATOM 150 SD MET A 266 7.829 -21.867 1.963 1.00 0.00 S ATOM 151 CE MET A 266 9.459 -21.291 1.428 1.00 0.00 C ATOM 0 H MET A 266 4.972 -22.996 -0.780 1.00 0.00 H new ATOM 0 HA MET A 266 6.639 -21.212 -2.201 1.00 0.00 H new ATOM 0 HB2 MET A 266 7.289 -23.529 -0.322 1.00 0.00 H new ATOM 0 HB3 MET A 266 8.476 -22.358 -0.861 1.00 0.00 H new ATOM 0 HG2 MET A 266 7.128 -20.500 0.103 1.00 0.00 H new ATOM 0 HG3 MET A 266 5.872 -21.627 0.574 1.00 0.00 H new ATOM 0 HE1 MET A 266 10.042 -20.990 2.298 1.00 0.00 H new ATOM 0 HE2 MET A 266 9.976 -22.096 0.905 1.00 0.00 H new ATOM 0 HE3 MET A 266 9.342 -20.439 0.758 1.00 0.00 H new ATOM 161 N MET A 267 7.806 -22.424 -4.042 1.00 0.00 N ATOM 162 CA MET A 267 8.437 -23.132 -5.202 1.00 0.00 C ATOM 163 C MET A 267 9.925 -22.738 -5.239 1.00 0.00 C ATOM 164 O MET A 267 10.491 -22.404 -4.192 1.00 0.00 O ATOM 165 CB MET A 267 7.716 -22.745 -6.510 1.00 0.00 C ATOM 166 CG MET A 267 6.230 -23.106 -6.421 1.00 0.00 C ATOM 167 SD MET A 267 5.522 -23.154 -8.085 1.00 0.00 S ATOM 168 CE MET A 267 6.012 -24.850 -8.480 1.00 0.00 C ATOM 0 H MET A 267 7.887 -21.408 -4.070 1.00 0.00 H new ATOM 0 HA MET A 267 8.351 -24.213 -5.094 1.00 0.00 H new ATOM 0 HB2 MET A 267 7.828 -21.676 -6.693 1.00 0.00 H new ATOM 0 HB3 MET A 267 8.174 -23.263 -7.353 1.00 0.00 H new ATOM 0 HG2 MET A 267 6.108 -24.074 -5.934 1.00 0.00 H new ATOM 0 HG3 MET A 267 5.702 -22.373 -5.810 1.00 0.00 H new ATOM 0 HE1 MET A 267 6.277 -24.916 -9.535 1.00 0.00 H new ATOM 0 HE2 MET A 267 6.872 -25.131 -7.872 1.00 0.00 H new ATOM 0 HE3 MET A 267 5.183 -25.526 -8.271 1.00 0.00 H new ATOM 178 N ASP A 268 10.567 -22.756 -6.398 1.00 0.00 N ATOM 179 CA ASP A 268 12.008 -22.362 -6.472 1.00 0.00 C ATOM 180 C ASP A 268 12.110 -20.900 -6.066 1.00 0.00 C ATOM 181 O ASP A 268 11.843 -20.003 -6.873 1.00 0.00 O ATOM 182 CB ASP A 268 12.548 -22.546 -7.891 1.00 0.00 C ATOM 183 CG ASP A 268 12.244 -23.956 -8.390 1.00 0.00 C ATOM 184 OD1 ASP A 268 13.160 -24.762 -8.424 1.00 0.00 O ATOM 185 OD2 ASP A 268 11.099 -24.209 -8.729 1.00 0.00 O ATOM 0 H ASP A 268 10.148 -23.027 -7.288 1.00 0.00 H new ATOM 0 HA ASP A 268 12.599 -22.991 -5.806 1.00 0.00 H new ATOM 0 HB2 ASP A 268 12.097 -21.811 -8.558 1.00 0.00 H new ATOM 0 HB3 ASP A 268 13.624 -22.371 -7.904 1.00 0.00 H new ATOM 190 N VAL A 269 12.458 -20.647 -4.827 1.00 0.00 N ATOM 191 CA VAL A 269 12.552 -19.239 -4.329 1.00 0.00 C ATOM 192 C VAL A 269 13.870 -19.044 -3.580 1.00 0.00 C ATOM 193 O VAL A 269 14.508 -17.992 -3.678 1.00 0.00 O ATOM 194 CB VAL A 269 11.363 -18.937 -3.392 1.00 0.00 C ATOM 195 CG1 VAL A 269 10.047 -19.129 -4.152 1.00 0.00 C ATOM 196 CG2 VAL A 269 11.373 -19.887 -2.182 1.00 0.00 C ATOM 0 H VAL A 269 12.683 -21.362 -4.135 1.00 0.00 H new ATOM 0 HA VAL A 269 12.520 -18.554 -5.176 1.00 0.00 H new ATOM 0 HB VAL A 269 11.453 -17.908 -3.045 1.00 0.00 H new ATOM 0 HG11 VAL A 269 9.209 -18.915 -3.488 1.00 0.00 H new ATOM 0 HG12 VAL A 269 10.017 -18.451 -5.005 1.00 0.00 H new ATOM 0 HG13 VAL A 269 9.977 -20.158 -4.505 1.00 0.00 H new ATOM 0 HG21 VAL A 269 10.527 -19.659 -1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 269 11.297 -20.918 -2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 269 12.302 -19.759 -1.626 1.00 0.00 H new ATOM 206 N LYS A 270 14.260 -20.035 -2.817 1.00 0.00 N ATOM 207 CA LYS A 270 15.522 -19.948 -2.008 1.00 0.00 C ATOM 208 C LYS A 270 16.743 -20.304 -2.866 1.00 0.00 C ATOM 209 O LYS A 270 17.880 -20.179 -2.398 1.00 0.00 O ATOM 210 CB LYS A 270 15.461 -20.905 -0.797 1.00 0.00 C ATOM 211 CG LYS A 270 14.106 -20.781 -0.065 1.00 0.00 C ATOM 212 CD LYS A 270 14.237 -21.265 1.386 1.00 0.00 C ATOM 213 CE LYS A 270 14.858 -20.158 2.239 1.00 0.00 C ATOM 214 NZ LYS A 270 14.859 -20.571 3.669 1.00 0.00 N ATOM 0 H LYS A 270 13.752 -20.914 -2.717 1.00 0.00 H new ATOM 0 HA LYS A 270 15.617 -18.922 -1.654 1.00 0.00 H new ATOM 0 HB2 LYS A 270 15.605 -21.932 -1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 270 16.274 -20.678 -0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 270 13.770 -19.744 -0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 270 13.349 -21.369 -0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 270 13.257 -21.536 1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 270 14.856 -22.161 1.427 1.00 0.00 H new ATOM 0 HE2 LYS A 270 15.877 -19.957 1.907 1.00 0.00 H new ATOM 0 HE3 LYS A 270 14.295 -19.232 2.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 270 15.282 -19.817 4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 270 13.882 -20.741 3.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 270 15.414 -21.444 3.778 1.00 0.00 H new ATOM 228 N LYS A 271 16.543 -20.747 -4.095 1.00 0.00 N ATOM 229 CA LYS A 271 17.697 -21.117 -4.970 1.00 0.00 C ATOM 230 C LYS A 271 18.178 -19.874 -5.731 1.00 0.00 C ATOM 231 O LYS A 271 17.805 -18.749 -5.386 1.00 0.00 O ATOM 232 CB LYS A 271 17.290 -22.238 -5.946 1.00 0.00 C ATOM 233 CG LYS A 271 16.087 -21.803 -6.828 1.00 0.00 C ATOM 234 CD LYS A 271 16.254 -22.299 -8.286 1.00 0.00 C ATOM 235 CE LYS A 271 16.265 -23.831 -8.343 1.00 0.00 C ATOM 236 NZ LYS A 271 15.861 -24.285 -9.705 1.00 0.00 N ATOM 0 H LYS A 271 15.625 -20.866 -4.523 1.00 0.00 H new ATOM 0 HA LYS A 271 18.515 -21.491 -4.354 1.00 0.00 H new ATOM 0 HB2 LYS A 271 18.137 -22.496 -6.582 1.00 0.00 H new ATOM 0 HB3 LYS A 271 17.028 -23.135 -5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 271 15.163 -22.201 -6.409 1.00 0.00 H new ATOM 0 HG3 LYS A 271 15.999 -20.717 -6.818 1.00 0.00 H new ATOM 0 HD2 LYS A 271 15.441 -21.914 -8.901 1.00 0.00 H new ATOM 0 HD3 LYS A 271 17.182 -21.909 -8.703 1.00 0.00 H new ATOM 0 HE2 LYS A 271 17.260 -24.207 -8.104 1.00 0.00 H new ATOM 0 HE3 LYS A 271 15.583 -24.237 -7.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 271 14.881 -24.633 -9.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 271 15.927 -23.488 -10.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 271 16.492 -25.050 -10.017 1.00 0.00 H new ATOM 250 N CYS A 272 18.997 -20.057 -6.749 1.00 0.00 N ATOM 251 CA CYS A 272 19.517 -18.898 -7.543 1.00 0.00 C ATOM 252 C CYS A 272 18.423 -18.357 -8.461 1.00 0.00 C ATOM 253 O CYS A 272 18.463 -17.187 -8.859 1.00 0.00 O ATOM 254 CB CYS A 272 20.718 -19.339 -8.385 1.00 0.00 C ATOM 255 SG CYS A 272 22.229 -19.201 -7.396 1.00 0.00 S ATOM 0 H CYS A 272 19.327 -20.970 -7.062 1.00 0.00 H new ATOM 0 HA CYS A 272 19.827 -18.113 -6.854 1.00 0.00 H new ATOM 0 HB2 CYS A 272 20.583 -20.367 -8.721 1.00 0.00 H new ATOM 0 HB3 CYS A 272 20.797 -18.719 -9.278 1.00 0.00 H new ATOM 0 HG CYS A 272 23.250 -19.577 -8.108 1.00 0.00 H new ATOM 261 N GLY A 273 17.461 -19.182 -8.816 1.00 0.00 N ATOM 262 CA GLY A 273 16.367 -18.735 -9.725 1.00 0.00 C ATOM 263 C GLY A 273 16.813 -18.974 -11.158 1.00 0.00 C ATOM 264 O GLY A 273 16.992 -18.032 -11.936 1.00 0.00 O ATOM 0 H GLY A 273 17.392 -20.152 -8.509 1.00 0.00 H new ATOM 0 HA2 GLY A 273 15.450 -19.286 -9.515 1.00 0.00 H new ATOM 0 HA3 GLY A 273 16.148 -17.679 -9.566 1.00 0.00 H new ATOM 268 N ILE A 274 17.007 -20.223 -11.507 1.00 0.00 N ATOM 269 CA ILE A 274 17.464 -20.588 -12.888 1.00 0.00 C ATOM 270 C ILE A 274 16.505 -19.973 -13.908 1.00 0.00 C ATOM 271 O ILE A 274 15.285 -19.991 -13.713 1.00 0.00 O ATOM 272 CB ILE A 274 17.495 -22.123 -13.059 1.00 0.00 C ATOM 273 CG1 ILE A 274 18.282 -22.808 -11.898 1.00 0.00 C ATOM 274 CG2 ILE A 274 18.122 -22.487 -14.413 1.00 0.00 C ATOM 275 CD1 ILE A 274 19.762 -22.367 -11.835 1.00 0.00 C ATOM 0 H ILE A 274 16.866 -21.018 -10.884 1.00 0.00 H new ATOM 0 HA ILE A 274 18.472 -20.203 -13.046 1.00 0.00 H new ATOM 0 HB ILE A 274 16.469 -22.489 -13.028 1.00 0.00 H new ATOM 0 HG12 ILE A 274 17.798 -22.575 -10.950 1.00 0.00 H new ATOM 0 HG13 ILE A 274 18.235 -23.890 -12.022 1.00 0.00 H new ATOM 0 HG21 ILE A 274 18.140 -23.571 -14.526 1.00 0.00 H new ATOM 0 HG22 ILE A 274 17.531 -22.048 -15.217 1.00 0.00 H new ATOM 0 HG23 ILE A 274 19.140 -22.100 -14.458 1.00 0.00 H new ATOM 0 HD11 ILE A 274 20.258 -22.876 -11.009 1.00 0.00 H new ATOM 0 HD12 ILE A 274 20.259 -22.625 -12.771 1.00 0.00 H new ATOM 0 HD13 ILE A 274 19.814 -21.289 -11.681 1.00 0.00 H new ATOM 287 N GLN A 275 17.036 -19.428 -14.980 1.00 0.00 N ATOM 288 CA GLN A 275 16.172 -18.799 -16.029 1.00 0.00 C ATOM 289 C GLN A 275 16.509 -19.410 -17.382 1.00 0.00 C ATOM 290 O GLN A 275 17.676 -19.700 -17.669 1.00 0.00 O ATOM 291 CB GLN A 275 16.410 -17.285 -16.073 1.00 0.00 C ATOM 292 CG GLN A 275 15.256 -16.601 -16.812 1.00 0.00 C ATOM 293 CD GLN A 275 14.001 -16.614 -15.946 1.00 0.00 C ATOM 294 OE1 GLN A 275 12.978 -17.169 -16.344 1.00 0.00 O ATOM 295 NE2 GLN A 275 14.019 -16.033 -14.778 1.00 0.00 N ATOM 0 H GLN A 275 18.037 -19.393 -15.172 1.00 0.00 H new ATOM 0 HA GLN A 275 15.124 -18.981 -15.791 1.00 0.00 H new ATOM 0 HB2 GLN A 275 16.490 -16.890 -15.060 1.00 0.00 H new ATOM 0 HB3 GLN A 275 17.354 -17.070 -16.575 1.00 0.00 H new ATOM 0 HG2 GLN A 275 15.528 -15.574 -17.057 1.00 0.00 H new ATOM 0 HG3 GLN A 275 15.063 -17.113 -17.755 1.00 0.00 H new ATOM 0 HE21 GLN A 275 14.868 -15.573 -14.450 1.00 0.00 H new ATOM 0 HE22 GLN A 275 13.184 -16.038 -14.193 1.00 0.00 H new ATOM 304 N ASP A 276 15.512 -19.611 -18.214 1.00 0.00 N ATOM 305 CA ASP A 276 15.748 -20.206 -19.564 1.00 0.00 C ATOM 306 C ASP A 276 15.775 -19.088 -20.609 1.00 0.00 C ATOM 307 O ASP A 276 14.813 -18.891 -21.365 1.00 0.00 O ATOM 308 CB ASP A 276 14.649 -21.227 -19.886 1.00 0.00 C ATOM 309 CG ASP A 276 14.978 -22.566 -19.235 1.00 0.00 C ATOM 310 OD1 ASP A 276 15.613 -23.378 -19.887 1.00 0.00 O ATOM 311 OD2 ASP A 276 14.590 -22.760 -18.095 1.00 0.00 O ATOM 0 H ASP A 276 14.538 -19.385 -18.011 1.00 0.00 H new ATOM 0 HA ASP A 276 16.707 -20.724 -19.576 1.00 0.00 H new ATOM 0 HB2 ASP A 276 13.686 -20.864 -19.525 1.00 0.00 H new ATOM 0 HB3 ASP A 276 14.559 -21.350 -20.965 1.00 0.00 H new ATOM 316 N THR A 277 16.862 -18.349 -20.659 1.00 0.00 N ATOM 317 CA THR A 277 16.987 -17.229 -21.647 1.00 0.00 C ATOM 318 C THR A 277 17.044 -17.809 -23.058 1.00 0.00 C ATOM 319 O THR A 277 16.418 -17.278 -23.981 1.00 0.00 O ATOM 320 CB THR A 277 18.247 -16.389 -21.363 1.00 0.00 C ATOM 321 OG1 THR A 277 18.367 -15.378 -22.354 1.00 0.00 O ATOM 322 CG2 THR A 277 19.502 -17.272 -21.387 1.00 0.00 C ATOM 0 H THR A 277 17.672 -18.476 -20.053 1.00 0.00 H new ATOM 0 HA THR A 277 16.120 -16.575 -21.556 1.00 0.00 H new ATOM 0 HB THR A 277 18.154 -15.939 -20.375 1.00 0.00 H new ATOM 0 HG1 THR A 277 19.166 -14.840 -22.177 1.00 0.00 H new ATOM 0 HG21 THR A 277 20.381 -16.660 -21.184 1.00 0.00 H new ATOM 0 HG22 THR A 277 19.416 -18.047 -20.626 1.00 0.00 H new ATOM 0 HG23 THR A 277 19.601 -17.736 -22.368 1.00 0.00 H new ATOM 330 N ASN A 278 17.781 -18.886 -23.236 1.00 0.00 N ATOM 331 CA ASN A 278 17.898 -19.525 -24.584 1.00 0.00 C ATOM 332 C ASN A 278 17.425 -20.974 -24.493 1.00 0.00 C ATOM 333 O ASN A 278 16.549 -21.396 -25.255 1.00 0.00 O ATOM 334 CB ASN A 278 19.349 -19.478 -25.067 1.00 0.00 C ATOM 335 CG ASN A 278 19.390 -19.444 -26.592 1.00 0.00 C ATOM 336 OD1 ASN A 278 19.634 -20.468 -27.231 1.00 0.00 O ATOM 337 ND2 ASN A 278 19.162 -18.321 -27.216 1.00 0.00 N ATOM 0 H ASN A 278 18.309 -19.350 -22.497 1.00 0.00 H new ATOM 0 HA ASN A 278 17.278 -18.982 -25.297 1.00 0.00 H new ATOM 0 HB2 ASN A 278 19.848 -18.597 -24.662 1.00 0.00 H new ATOM 0 HB3 ASN A 278 19.892 -20.349 -24.700 1.00 0.00 H new ATOM 0 HD21 ASN A 278 19.186 -18.290 -28.235 1.00 0.00 H new ATOM 0 HD22 ASN A 278 18.960 -17.474 -26.685 1.00 0.00 H new ATOM 344 N SER A 279 17.984 -21.738 -23.575 1.00 0.00 N ATOM 345 CA SER A 279 17.582 -23.174 -23.408 1.00 0.00 C ATOM 346 C SER A 279 17.838 -23.930 -24.710 1.00 0.00 C ATOM 347 O SER A 279 18.081 -23.318 -25.755 1.00 0.00 O ATOM 348 CB SER A 279 16.101 -23.274 -23.033 1.00 0.00 C ATOM 349 OG SER A 279 15.802 -24.610 -22.648 1.00 0.00 O ATOM 0 H SER A 279 18.708 -21.422 -22.930 1.00 0.00 H new ATOM 0 HA SER A 279 18.175 -23.616 -22.607 1.00 0.00 H new ATOM 0 HB2 SER A 279 15.874 -22.589 -22.216 1.00 0.00 H new ATOM 0 HB3 SER A 279 15.479 -22.979 -23.879 1.00 0.00 H new ATOM 0 HG SER A 279 15.653 -24.646 -21.680 1.00 0.00 H new ATOM 355 N LYS A 280 17.791 -25.245 -24.661 1.00 0.00 N ATOM 356 CA LYS A 280 18.031 -26.066 -25.889 1.00 0.00 C ATOM 357 C LYS A 280 16.977 -27.165 -25.978 1.00 0.00 C ATOM 358 O LYS A 280 16.129 -27.294 -25.089 1.00 0.00 O ATOM 359 CB LYS A 280 19.428 -26.692 -25.843 1.00 0.00 C ATOM 360 CG LYS A 280 20.482 -25.591 -25.988 1.00 0.00 C ATOM 361 CD LYS A 280 21.885 -26.212 -26.032 1.00 0.00 C ATOM 362 CE LYS A 280 22.311 -26.641 -24.624 1.00 0.00 C ATOM 363 NZ LYS A 280 23.769 -26.953 -24.619 1.00 0.00 N ATOM 0 H LYS A 280 17.595 -25.784 -23.817 1.00 0.00 H new ATOM 0 HA LYS A 280 17.964 -25.423 -26.766 1.00 0.00 H new ATOM 0 HB2 LYS A 280 19.569 -27.225 -24.903 1.00 0.00 H new ATOM 0 HB3 LYS A 280 19.538 -27.424 -26.643 1.00 0.00 H new ATOM 0 HG2 LYS A 280 20.300 -25.019 -26.898 1.00 0.00 H new ATOM 0 HG3 LYS A 280 20.409 -24.894 -25.153 1.00 0.00 H new ATOM 0 HD2 LYS A 280 21.890 -27.073 -26.701 1.00 0.00 H new ATOM 0 HD3 LYS A 280 22.598 -25.492 -26.433 1.00 0.00 H new ATOM 0 HE2 LYS A 280 22.096 -25.846 -23.910 1.00 0.00 H new ATOM 0 HE3 LYS A 280 21.740 -27.515 -24.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 24.058 -27.244 -23.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 23.961 -27.725 -25.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 24.306 -26.108 -24.901 1.00 0.00 H new ATOM 377 N LYS A 281 17.014 -27.950 -27.032 1.00 0.00 N ATOM 378 CA LYS A 281 16.018 -29.053 -27.206 1.00 0.00 C ATOM 379 C LYS A 281 16.744 -30.332 -27.610 1.00 0.00 C ATOM 380 O LYS A 281 17.262 -30.434 -28.727 1.00 0.00 O ATOM 381 CB LYS A 281 15.000 -28.671 -28.283 1.00 0.00 C ATOM 382 CG LYS A 281 13.831 -29.660 -28.263 1.00 0.00 C ATOM 383 CD LYS A 281 12.736 -29.190 -29.232 1.00 0.00 C ATOM 384 CE LYS A 281 13.155 -29.489 -30.675 1.00 0.00 C ATOM 385 NZ LYS A 281 12.042 -29.129 -31.598 1.00 0.00 N ATOM 0 H LYS A 281 17.699 -27.871 -27.784 1.00 0.00 H new ATOM 0 HA LYS A 281 15.492 -29.217 -26.265 1.00 0.00 H new ATOM 0 HB2 LYS A 281 14.635 -27.659 -28.109 1.00 0.00 H new ATOM 0 HB3 LYS A 281 15.475 -28.675 -29.264 1.00 0.00 H new ATOM 0 HG2 LYS A 281 14.178 -30.654 -28.546 1.00 0.00 H new ATOM 0 HG3 LYS A 281 13.427 -29.739 -27.254 1.00 0.00 H new ATOM 0 HD2 LYS A 281 11.796 -29.694 -29.005 1.00 0.00 H new ATOM 0 HD3 LYS A 281 12.563 -28.121 -29.108 1.00 0.00 H new ATOM 0 HE2 LYS A 281 14.051 -28.923 -30.930 1.00 0.00 H new ATOM 0 HE3 LYS A 281 13.404 -30.545 -30.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 12.325 -29.331 -32.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 11.198 -29.688 -31.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 11.825 -28.116 -31.502 1.00 0.00 H new ATOM 399 N GLN A 282 16.788 -31.304 -26.724 1.00 0.00 N ATOM 400 CA GLN A 282 17.479 -32.597 -27.033 1.00 0.00 C ATOM 401 C GLN A 282 16.623 -33.761 -26.540 1.00 0.00 C ATOM 402 O GLN A 282 16.266 -33.823 -25.358 1.00 0.00 O ATOM 403 CB GLN A 282 18.869 -32.644 -26.374 1.00 0.00 C ATOM 404 CG GLN A 282 18.759 -32.408 -24.860 1.00 0.00 C ATOM 405 CD GLN A 282 20.136 -32.106 -24.278 1.00 0.00 C ATOM 406 OE1 GLN A 282 20.915 -31.363 -24.877 1.00 0.00 O ATOM 407 NE2 GLN A 282 20.487 -32.642 -23.141 1.00 0.00 N ATOM 0 H GLN A 282 16.371 -31.254 -25.794 1.00 0.00 H new ATOM 0 HA GLN A 282 17.613 -32.676 -28.112 1.00 0.00 H new ATOM 0 HB2 GLN A 282 19.335 -33.611 -26.564 1.00 0.00 H new ATOM 0 HB3 GLN A 282 19.514 -31.887 -26.819 1.00 0.00 H new ATOM 0 HG2 GLN A 282 18.081 -31.578 -24.661 1.00 0.00 H new ATOM 0 HG3 GLN A 282 18.336 -33.288 -24.376 1.00 0.00 H new ATOM 0 HE21 GLN A 282 19.841 -33.257 -22.646 1.00 0.00 H new ATOM 0 HE22 GLN A 282 21.407 -32.446 -22.747 1.00 0.00 H new ATOM 416 N SER A 283 16.292 -34.679 -27.422 1.00 0.00 N ATOM 417 CA SER A 283 15.457 -35.858 -27.034 1.00 0.00 C ATOM 418 C SER A 283 16.064 -37.122 -27.633 1.00 0.00 C ATOM 419 O SER A 283 16.866 -37.049 -28.570 1.00 0.00 O ATOM 420 CB SER A 283 14.026 -35.681 -27.543 1.00 0.00 C ATOM 421 OG SER A 283 13.486 -34.476 -27.015 1.00 0.00 O ATOM 0 H SER A 283 16.569 -34.658 -28.403 1.00 0.00 H new ATOM 0 HA SER A 283 15.434 -35.941 -25.947 1.00 0.00 H new ATOM 0 HB2 SER A 283 14.016 -35.651 -28.633 1.00 0.00 H new ATOM 0 HB3 SER A 283 13.413 -36.531 -27.242 1.00 0.00 H new ATOM 0 HG SER A 283 12.569 -34.358 -27.340 1.00 0.00 H new ATOM 427 N ASP A 284 15.701 -38.275 -27.110 1.00 0.00 N ATOM 428 CA ASP A 284 16.250 -39.563 -27.637 1.00 0.00 C ATOM 429 C ASP A 284 15.416 -40.016 -28.837 1.00 0.00 C ATOM 430 O ASP A 284 15.915 -40.053 -29.965 1.00 0.00 O ATOM 431 CB ASP A 284 16.224 -40.635 -26.541 1.00 0.00 C ATOM 432 CG ASP A 284 17.320 -40.357 -25.518 1.00 0.00 C ATOM 433 OD1 ASP A 284 16.998 -40.272 -24.343 1.00 0.00 O ATOM 434 OD2 ASP A 284 18.464 -40.233 -25.921 1.00 0.00 O ATOM 0 H ASP A 284 15.044 -38.375 -26.336 1.00 0.00 H new ATOM 0 HA ASP A 284 17.283 -39.414 -27.951 1.00 0.00 H new ATOM 0 HB2 ASP A 284 15.250 -40.643 -26.051 1.00 0.00 H new ATOM 0 HB3 ASP A 284 16.367 -41.622 -26.982 1.00 0.00 H new ATOM 439 N THR A 285 14.163 -40.356 -28.614 1.00 0.00 N ATOM 440 CA THR A 285 13.279 -40.809 -29.734 1.00 0.00 C ATOM 441 C THR A 285 12.904 -39.606 -30.593 1.00 0.00 C ATOM 442 O THR A 285 13.067 -38.457 -30.170 1.00 0.00 O ATOM 443 CB THR A 285 12.010 -41.462 -29.175 1.00 0.00 C ATOM 444 OG1 THR A 285 11.338 -40.539 -28.330 1.00 0.00 O ATOM 445 CG2 THR A 285 12.382 -42.714 -28.377 1.00 0.00 C ATOM 0 H THR A 285 13.716 -40.338 -27.697 1.00 0.00 H new ATOM 0 HA THR A 285 13.812 -41.542 -30.340 1.00 0.00 H new ATOM 0 HB THR A 285 11.355 -41.745 -29.999 1.00 0.00 H new ATOM 0 HG1 THR A 285 10.525 -40.954 -27.973 1.00 0.00 H new ATOM 0 HG21 THR A 285 11.477 -43.175 -27.981 1.00 0.00 H new ATOM 0 HG22 THR A 285 12.895 -43.422 -29.028 1.00 0.00 H new ATOM 0 HG23 THR A 285 13.039 -42.438 -27.552 1.00 0.00 H new