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 158:sc=-0.00225 (180deg=-0.308) USER MOD Single : A 267 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 270 LYS NZ :NH3+ -163:sc= -0.0629 (180deg=-0.462) USER MOD Single : A 271 LYS NZ :NH3+ -137:sc= -0.887 (180deg=-3.54!) USER MOD Single : A 272 CYS SG : rot 180:sc= 0 USER MOD Single : A 275 GLN : amide:sc= -0.0183 X(o=-0.018,f=-0.47) USER MOD Single : A 277 THR OG1 : rot 180:sc= -0.118 USER MOD Single : A 278 ASN : amide:sc= -0.0182 X(o=-0.018,f=-0.23) USER MOD Single : A 279 SER OG : rot 180:sc= 0 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= -0.218 X(o=-0.22,f=-0.53) 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 -11.855 -19.637 3.017 1.00 0.00 N ATOM 11 CA PRO A 259 -10.834 -19.230 4.032 1.00 0.00 C ATOM 12 C PRO A 259 -9.526 -20.008 3.883 1.00 0.00 C ATOM 13 O PRO A 259 -8.448 -19.487 4.194 1.00 0.00 O ATOM 14 CB PRO A 259 -11.525 -19.544 5.366 1.00 0.00 C ATOM 15 CG PRO A 259 -12.887 -20.188 5.086 1.00 0.00 C ATOM 16 CD PRO A 259 -13.115 -20.237 3.574 1.00 0.00 C ATOM 0 HA PRO A 259 -10.540 -18.185 3.933 1.00 0.00 H new ATOM 0 HB2 PRO A 259 -10.906 -20.216 5.961 1.00 0.00 H new ATOM 0 HB3 PRO A 259 -11.653 -18.631 5.947 1.00 0.00 H new ATOM 0 HG2 PRO A 259 -12.921 -21.194 5.504 1.00 0.00 H new ATOM 0 HG3 PRO A 259 -13.680 -19.616 5.568 1.00 0.00 H new ATOM 0 HD2 PRO A 259 -13.265 -21.258 3.222 1.00 0.00 H new ATOM 0 HD3 PRO A 259 -13.996 -19.667 3.281 1.00 0.00 H new ATOM 24 N ARG A 260 -9.604 -21.239 3.426 1.00 0.00 N ATOM 25 CA ARG A 260 -8.379 -22.077 3.255 1.00 0.00 C ATOM 26 C ARG A 260 -7.408 -21.382 2.286 1.00 0.00 C ATOM 27 O ARG A 260 -7.593 -20.206 1.952 1.00 0.00 O ATOM 28 CB ARG A 260 -8.773 -23.497 2.768 1.00 0.00 C ATOM 29 CG ARG A 260 -9.230 -23.514 1.284 1.00 0.00 C ATOM 30 CD ARG A 260 -10.750 -23.362 1.173 1.00 0.00 C ATOM 31 NE ARG A 260 -11.161 -23.369 -0.270 1.00 0.00 N ATOM 32 CZ ARG A 260 -12.420 -23.563 -0.640 1.00 0.00 C ATOM 33 NH1 ARG A 260 -12.715 -23.555 -1.911 1.00 0.00 N ATOM 34 NH2 ARG A 260 -13.381 -23.763 0.237 1.00 0.00 N ATOM 0 H ARG A 260 -10.475 -21.699 3.163 1.00 0.00 H new ATOM 0 HA ARG A 260 -7.869 -22.190 4.212 1.00 0.00 H new ATOM 0 HB2 ARG A 260 -7.923 -24.168 2.890 1.00 0.00 H new ATOM 0 HB3 ARG A 260 -9.576 -23.883 3.396 1.00 0.00 H new ATOM 0 HG2 ARG A 260 -8.740 -22.706 0.740 1.00 0.00 H new ATOM 0 HG3 ARG A 260 -8.920 -24.448 0.815 1.00 0.00 H new ATOM 0 HD2 ARG A 260 -11.245 -24.174 1.705 1.00 0.00 H new ATOM 0 HD3 ARG A 260 -11.067 -22.432 1.646 1.00 0.00 H new ATOM 0 HE ARG A 260 -10.451 -23.220 -0.988 1.00 0.00 H new ATOM 0 HH11 ARG A 260 -11.982 -23.401 -2.604 1.00 0.00 H new ATOM 0 HH12 ARG A 260 -13.678 -23.703 -2.212 1.00 0.00 H new ATOM 0 HH21 ARG A 260 -13.168 -23.772 1.234 1.00 0.00 H new ATOM 0 HH22 ARG A 260 -14.339 -23.909 -0.081 1.00 0.00 H new ATOM 48 N LEU A 261 -6.393 -22.088 1.825 1.00 0.00 N ATOM 49 CA LEU A 261 -5.410 -21.484 0.868 1.00 0.00 C ATOM 50 C LEU A 261 -5.527 -22.188 -0.479 1.00 0.00 C ATOM 51 O LEU A 261 -6.089 -23.285 -0.564 1.00 0.00 O ATOM 52 CB LEU A 261 -3.972 -21.604 1.411 1.00 0.00 C ATOM 53 CG LEU A 261 -3.606 -23.078 1.715 1.00 0.00 C ATOM 54 CD1 LEU A 261 -3.133 -23.793 0.432 1.00 0.00 C ATOM 55 CD2 LEU A 261 -2.480 -23.119 2.761 1.00 0.00 C ATOM 0 H LEU A 261 -6.207 -23.059 2.074 1.00 0.00 H new ATOM 0 HA LEU A 261 -5.635 -20.424 0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 261 -3.271 -21.196 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 261 -3.873 -21.008 2.318 1.00 0.00 H new ATOM 0 HG LEU A 261 -4.491 -23.587 2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 261 -2.880 -24.827 0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 261 -3.930 -23.772 -0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 261 -2.254 -23.285 0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 261 -2.221 -24.156 2.976 1.00 0.00 H new ATOM 0 HD22 LEU A 261 -1.604 -22.599 2.373 1.00 0.00 H new ATOM 0 HD23 LEU A 261 -2.816 -22.631 3.676 1.00 0.00 H new ATOM 67 N ARG A 262 -5.000 -21.587 -1.524 1.00 0.00 N ATOM 68 CA ARG A 262 -5.059 -22.217 -2.880 1.00 0.00 C ATOM 69 C ARG A 262 -3.632 -22.535 -3.333 1.00 0.00 C ATOM 70 O ARG A 262 -2.682 -22.351 -2.565 1.00 0.00 O ATOM 71 CB ARG A 262 -5.755 -21.267 -3.874 1.00 0.00 C ATOM 72 CG ARG A 262 -6.384 -22.066 -5.048 1.00 0.00 C ATOM 73 CD ARG A 262 -7.714 -21.438 -5.506 1.00 0.00 C ATOM 74 NE ARG A 262 -8.871 -22.222 -4.951 1.00 0.00 N ATOM 75 CZ ARG A 262 -10.107 -21.744 -4.957 1.00 0.00 C ATOM 76 NH1 ARG A 262 -11.072 -22.476 -4.469 1.00 0.00 N ATOM 77 NH2 ARG A 262 -10.392 -20.553 -5.439 1.00 0.00 N ATOM 0 H ARG A 262 -4.530 -20.682 -1.492 1.00 0.00 H new ATOM 0 HA ARG A 262 -5.638 -23.140 -2.841 1.00 0.00 H new ATOM 0 HB2 ARG A 262 -6.529 -20.697 -3.359 1.00 0.00 H new ATOM 0 HB3 ARG A 262 -5.034 -20.547 -4.262 1.00 0.00 H new ATOM 0 HG2 ARG A 262 -5.686 -22.095 -5.885 1.00 0.00 H new ATOM 0 HG3 ARG A 262 -6.554 -23.097 -4.738 1.00 0.00 H new ATOM 0 HD2 ARG A 262 -7.771 -20.403 -5.170 1.00 0.00 H new ATOM 0 HD3 ARG A 262 -7.763 -21.423 -6.595 1.00 0.00 H new ATOM 0 HE ARG A 262 -8.700 -23.148 -4.559 1.00 0.00 H new ATOM 0 HH11 ARG A 262 -10.869 -23.401 -4.091 1.00 0.00 H new ATOM 0 HH12 ARG A 262 -12.029 -22.123 -4.466 1.00 0.00 H new ATOM 0 HH21 ARG A 262 -9.650 -19.968 -5.823 1.00 0.00 H new ATOM 0 HH22 ARG A 262 -11.354 -20.215 -5.428 1.00 0.00 H new ATOM 91 N LYS A 263 -3.464 -23.022 -4.546 1.00 0.00 N ATOM 92 CA LYS A 263 -2.106 -23.377 -5.060 1.00 0.00 C ATOM 93 C LYS A 263 -1.164 -22.175 -4.936 1.00 0.00 C ATOM 94 O LYS A 263 -1.550 -21.120 -4.421 1.00 0.00 O ATOM 95 CB LYS A 263 -2.205 -23.842 -6.523 1.00 0.00 C ATOM 96 CG LYS A 263 -2.810 -22.734 -7.401 1.00 0.00 C ATOM 97 CD LYS A 263 -2.815 -23.172 -8.871 1.00 0.00 C ATOM 98 CE LYS A 263 -1.390 -23.126 -9.435 1.00 0.00 C ATOM 99 NZ LYS A 263 -1.430 -23.350 -10.908 1.00 0.00 N ATOM 0 H LYS A 263 -4.224 -23.189 -5.206 1.00 0.00 H new ATOM 0 HA LYS A 263 -1.700 -24.194 -4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 263 -1.215 -24.108 -6.894 1.00 0.00 H new ATOM 0 HB3 LYS A 263 -2.820 -24.740 -6.585 1.00 0.00 H new ATOM 0 HG2 LYS A 263 -3.827 -22.515 -7.075 1.00 0.00 H new ATOM 0 HG3 LYS A 263 -2.235 -21.815 -7.289 1.00 0.00 H new ATOM 0 HD2 LYS A 263 -3.217 -24.182 -8.957 1.00 0.00 H new ATOM 0 HD3 LYS A 263 -3.466 -22.519 -9.452 1.00 0.00 H new ATOM 0 HE2 LYS A 263 -0.932 -22.162 -9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 263 -0.774 -23.888 -8.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 263 -0.463 -23.319 -11.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 263 -1.851 -24.280 -11.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 263 -2.004 -22.608 -11.357 1.00 0.00 H new ATOM 113 N GLY A 264 0.060 -22.324 -5.393 1.00 0.00 N ATOM 114 CA GLY A 264 1.060 -21.218 -5.309 1.00 0.00 C ATOM 115 C GLY A 264 1.929 -21.408 -4.065 1.00 0.00 C ATOM 116 O GLY A 264 2.403 -20.427 -3.481 1.00 0.00 O ATOM 0 H GLY A 264 0.409 -23.179 -5.826 1.00 0.00 H new ATOM 0 HA2 GLY A 264 1.684 -21.209 -6.203 1.00 0.00 H new ATOM 0 HA3 GLY A 264 0.550 -20.255 -5.266 1.00 0.00 H new ATOM 120 N ARG A 265 2.146 -22.643 -3.648 1.00 0.00 N ATOM 121 CA ARG A 265 2.984 -22.905 -2.437 1.00 0.00 C ATOM 122 C ARG A 265 4.429 -22.512 -2.729 1.00 0.00 C ATOM 123 O ARG A 265 4.750 -22.075 -3.838 1.00 0.00 O ATOM 124 CB ARG A 265 2.918 -24.390 -2.047 1.00 0.00 C ATOM 125 CG ARG A 265 1.612 -24.689 -1.282 1.00 0.00 C ATOM 126 CD ARG A 265 0.494 -25.064 -2.262 1.00 0.00 C ATOM 127 NE ARG A 265 0.764 -26.410 -2.869 1.00 0.00 N ATOM 128 CZ ARG A 265 -0.176 -27.094 -3.507 1.00 0.00 C ATOM 129 NH1 ARG A 265 0.121 -28.261 -4.011 1.00 0.00 N ATOM 130 NH2 ARG A 265 -1.401 -26.632 -3.643 1.00 0.00 N ATOM 0 H ARG A 265 1.774 -23.478 -4.101 1.00 0.00 H new ATOM 0 HA ARG A 265 2.602 -22.312 -1.606 1.00 0.00 H new ATOM 0 HB2 ARG A 265 2.973 -25.010 -2.942 1.00 0.00 H new ATOM 0 HB3 ARG A 265 3.777 -24.648 -1.427 1.00 0.00 H new ATOM 0 HG2 ARG A 265 1.774 -25.504 -0.576 1.00 0.00 H new ATOM 0 HG3 ARG A 265 1.316 -23.817 -0.699 1.00 0.00 H new ATOM 0 HD2 ARG A 265 -0.465 -25.077 -1.743 1.00 0.00 H new ATOM 0 HD3 ARG A 265 0.421 -24.311 -3.047 1.00 0.00 H new ATOM 0 HE ARG A 265 1.699 -26.811 -2.788 1.00 0.00 H new ATOM 0 HH11 ARG A 265 1.065 -28.634 -3.911 1.00 0.00 H new ATOM 0 HH12 ARG A 265 -0.591 -28.799 -4.505 1.00 0.00 H new ATOM 0 HH21 ARG A 265 -1.650 -25.723 -3.252 1.00 0.00 H new ATOM 0 HH22 ARG A 265 -2.102 -27.183 -4.139 1.00 0.00 H new ATOM 144 N MET A 266 5.296 -22.656 -1.752 1.00 0.00 N ATOM 145 CA MET A 266 6.735 -22.294 -1.937 1.00 0.00 C ATOM 146 C MET A 266 7.331 -23.113 -3.079 1.00 0.00 C ATOM 147 O MET A 266 7.221 -24.343 -3.100 1.00 0.00 O ATOM 148 CB MET A 266 7.511 -22.568 -0.646 1.00 0.00 C ATOM 149 CG MET A 266 7.056 -21.590 0.438 1.00 0.00 C ATOM 150 SD MET A 266 7.774 -22.068 2.030 1.00 0.00 S ATOM 151 CE MET A 266 9.457 -21.489 1.708 1.00 0.00 C ATOM 0 H MET A 266 5.062 -23.013 -0.825 1.00 0.00 H new ATOM 0 HA MET A 266 6.807 -21.234 -2.179 1.00 0.00 H new ATOM 0 HB2 MET A 266 7.343 -23.594 -0.319 1.00 0.00 H new ATOM 0 HB3 MET A 266 8.581 -22.460 -0.822 1.00 0.00 H new ATOM 0 HG2 MET A 266 7.363 -20.577 0.179 1.00 0.00 H new ATOM 0 HG3 MET A 266 5.968 -21.586 0.505 1.00 0.00 H new ATOM 0 HE1 MET A 266 9.971 -21.321 2.654 1.00 0.00 H new ATOM 0 HE2 MET A 266 9.996 -22.240 1.131 1.00 0.00 H new ATOM 0 HE3 MET A 266 9.419 -20.557 1.145 1.00 0.00 H new ATOM 161 N MET A 267 7.963 -22.448 -4.020 1.00 0.00 N ATOM 162 CA MET A 267 8.594 -23.149 -5.183 1.00 0.00 C ATOM 163 C MET A 267 10.063 -22.699 -5.251 1.00 0.00 C ATOM 164 O MET A 267 10.639 -22.361 -4.214 1.00 0.00 O ATOM 165 CB MET A 267 7.833 -22.798 -6.482 1.00 0.00 C ATOM 166 CG MET A 267 6.347 -23.167 -6.352 1.00 0.00 C ATOM 167 SD MET A 267 5.655 -23.450 -8.000 1.00 0.00 S ATOM 168 CE MET A 267 6.070 -25.206 -8.117 1.00 0.00 C ATOM 0 H MET A 267 8.069 -21.434 -4.030 1.00 0.00 H new ATOM 0 HA MET A 267 8.548 -24.232 -5.065 1.00 0.00 H new ATOM 0 HB2 MET A 267 7.932 -21.733 -6.692 1.00 0.00 H new ATOM 0 HB3 MET A 267 8.274 -23.331 -7.324 1.00 0.00 H new ATOM 0 HG2 MET A 267 6.235 -24.062 -5.739 1.00 0.00 H new ATOM 0 HG3 MET A 267 5.804 -22.366 -5.850 1.00 0.00 H new ATOM 0 HE1 MET A 267 5.728 -25.598 -9.075 1.00 0.00 H new ATOM 0 HE2 MET A 267 7.150 -25.331 -8.038 1.00 0.00 H new ATOM 0 HE3 MET A 267 5.582 -25.750 -7.308 1.00 0.00 H new ATOM 178 N ASP A 268 10.679 -22.670 -6.425 1.00 0.00 N ATOM 179 CA ASP A 268 12.107 -22.214 -6.526 1.00 0.00 C ATOM 180 C ASP A 268 12.183 -20.780 -6.019 1.00 0.00 C ATOM 181 O ASP A 268 11.918 -19.830 -6.769 1.00 0.00 O ATOM 182 CB ASP A 268 12.604 -22.271 -7.976 1.00 0.00 C ATOM 183 CG ASP A 268 11.590 -21.618 -8.912 1.00 0.00 C ATOM 184 OD1 ASP A 268 10.639 -22.286 -9.281 1.00 0.00 O ATOM 185 OD2 ASP A 268 11.779 -20.460 -9.243 1.00 0.00 O ATOM 0 H ASP A 268 10.251 -22.943 -7.310 1.00 0.00 H new ATOM 0 HA ASP A 268 12.738 -22.872 -5.929 1.00 0.00 H new ATOM 0 HB2 ASP A 268 13.565 -21.762 -8.058 1.00 0.00 H new ATOM 0 HB3 ASP A 268 12.766 -23.308 -8.271 1.00 0.00 H new ATOM 190 N VAL A 269 12.514 -20.605 -4.760 1.00 0.00 N ATOM 191 CA VAL A 269 12.583 -19.229 -4.175 1.00 0.00 C ATOM 192 C VAL A 269 13.870 -19.081 -3.358 1.00 0.00 C ATOM 193 O VAL A 269 14.495 -18.016 -3.359 1.00 0.00 O ATOM 194 CB VAL A 269 11.340 -18.971 -3.297 1.00 0.00 C ATOM 195 CG1 VAL A 269 10.067 -19.139 -4.138 1.00 0.00 C ATOM 196 CG2 VAL A 269 11.294 -19.964 -2.127 1.00 0.00 C ATOM 0 H VAL A 269 12.740 -21.359 -4.112 1.00 0.00 H new ATOM 0 HA VAL A 269 12.595 -18.490 -4.977 1.00 0.00 H new ATOM 0 HB VAL A 269 11.399 -17.955 -2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 269 9.192 -18.956 -3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 269 10.080 -18.427 -4.963 1.00 0.00 H new ATOM 0 HG13 VAL A 269 10.024 -20.153 -4.535 1.00 0.00 H new ATOM 0 HG21 VAL A 269 10.411 -19.768 -1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 269 11.249 -20.982 -2.515 1.00 0.00 H new ATOM 0 HG23 VAL A 269 12.189 -19.848 -1.516 1.00 0.00 H new ATOM 206 N LYS A 270 14.263 -20.125 -2.666 1.00 0.00 N ATOM 207 CA LYS A 270 15.507 -20.077 -1.827 1.00 0.00 C ATOM 208 C LYS A 270 16.752 -20.344 -2.685 1.00 0.00 C ATOM 209 O LYS A 270 17.877 -20.154 -2.214 1.00 0.00 O ATOM 210 CB LYS A 270 15.438 -21.128 -0.715 1.00 0.00 C ATOM 211 CG LYS A 270 14.308 -20.788 0.258 1.00 0.00 C ATOM 212 CD LYS A 270 14.406 -21.707 1.479 1.00 0.00 C ATOM 213 CE LYS A 270 13.283 -21.385 2.469 1.00 0.00 C ATOM 214 NZ LYS A 270 13.429 -19.984 2.958 1.00 0.00 N ATOM 0 H LYS A 270 13.771 -21.018 -2.646 1.00 0.00 H new ATOM 0 HA LYS A 270 15.577 -19.081 -1.390 1.00 0.00 H new ATOM 0 HB2 LYS A 270 15.273 -22.115 -1.146 1.00 0.00 H new ATOM 0 HB3 LYS A 270 16.388 -21.168 -0.182 1.00 0.00 H new ATOM 0 HG2 LYS A 270 14.378 -19.745 0.566 1.00 0.00 H new ATOM 0 HG3 LYS A 270 13.341 -20.912 -0.230 1.00 0.00 H new ATOM 0 HD2 LYS A 270 14.339 -22.749 1.166 1.00 0.00 H new ATOM 0 HD3 LYS A 270 15.375 -21.581 1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 270 12.313 -21.513 1.988 1.00 0.00 H new ATOM 0 HE3 LYS A 270 13.316 -22.079 3.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 270 12.864 -19.857 3.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 270 14.429 -19.792 3.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 270 13.096 -19.324 2.226 1.00 0.00 H new ATOM 228 N LYS A 271 16.581 -20.785 -3.915 1.00 0.00 N ATOM 229 CA LYS A 271 17.757 -21.073 -4.799 1.00 0.00 C ATOM 230 C LYS A 271 18.048 -19.850 -5.674 1.00 0.00 C ATOM 231 O LYS A 271 17.470 -18.780 -5.460 1.00 0.00 O ATOM 232 CB LYS A 271 17.481 -22.318 -5.667 1.00 0.00 C ATOM 233 CG LYS A 271 16.200 -22.125 -6.489 1.00 0.00 C ATOM 234 CD LYS A 271 16.012 -23.312 -7.443 1.00 0.00 C ATOM 235 CE LYS A 271 16.941 -23.159 -8.654 1.00 0.00 C ATOM 236 NZ LYS A 271 16.527 -24.101 -9.737 1.00 0.00 N ATOM 0 H LYS A 271 15.672 -20.958 -4.343 1.00 0.00 H new ATOM 0 HA LYS A 271 18.632 -21.281 -4.183 1.00 0.00 H new ATOM 0 HB2 LYS A 271 18.324 -22.498 -6.334 1.00 0.00 H new ATOM 0 HB3 LYS A 271 17.383 -23.198 -5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 271 15.340 -22.040 -5.825 1.00 0.00 H new ATOM 0 HG3 LYS A 271 16.257 -21.196 -7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 271 16.228 -24.245 -6.923 1.00 0.00 H new ATOM 0 HD3 LYS A 271 14.975 -23.364 -7.773 1.00 0.00 H new ATOM 0 HE2 LYS A 271 16.908 -22.133 -9.021 1.00 0.00 H new ATOM 0 HE3 LYS A 271 17.971 -23.360 -8.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 271 17.371 -24.548 -10.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 271 15.906 -24.835 -9.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 271 16.016 -23.577 -10.476 1.00 0.00 H new ATOM 250 N CYS A 272 18.935 -19.986 -6.638 1.00 0.00 N ATOM 251 CA CYS A 272 19.287 -18.835 -7.530 1.00 0.00 C ATOM 252 C CYS A 272 18.068 -18.428 -8.353 1.00 0.00 C ATOM 253 O CYS A 272 17.906 -17.248 -8.681 1.00 0.00 O ATOM 254 CB CYS A 272 20.429 -19.229 -8.471 1.00 0.00 C ATOM 255 SG CYS A 272 22.013 -18.934 -7.649 1.00 0.00 S ATOM 0 H CYS A 272 19.432 -20.853 -6.844 1.00 0.00 H new ATOM 0 HA CYS A 272 19.606 -17.995 -6.912 1.00 0.00 H new ATOM 0 HB2 CYS A 272 20.341 -20.279 -8.748 1.00 0.00 H new ATOM 0 HB3 CYS A 272 20.372 -18.650 -9.393 1.00 0.00 H new ATOM 0 HG CYS A 272 22.984 -19.270 -8.445 1.00 0.00 H new ATOM 261 N GLY A 273 17.220 -19.372 -8.701 1.00 0.00 N ATOM 262 CA GLY A 273 16.011 -19.052 -9.518 1.00 0.00 C ATOM 263 C GLY A 273 16.373 -19.174 -10.990 1.00 0.00 C ATOM 264 O GLY A 273 16.359 -18.191 -11.735 1.00 0.00 O ATOM 0 H GLY A 273 17.319 -20.356 -8.450 1.00 0.00 H new ATOM 0 HA2 GLY A 273 15.197 -19.733 -9.271 1.00 0.00 H new ATOM 0 HA3 GLY A 273 15.661 -18.044 -9.297 1.00 0.00 H new ATOM 268 N ILE A 274 16.699 -20.372 -11.409 1.00 0.00 N ATOM 269 CA ILE A 274 17.081 -20.632 -12.838 1.00 0.00 C ATOM 270 C ILE A 274 15.990 -20.058 -13.745 1.00 0.00 C ATOM 271 O ILE A 274 14.800 -20.154 -13.427 1.00 0.00 O ATOM 272 CB ILE A 274 17.229 -22.149 -13.093 1.00 0.00 C ATOM 273 CG1 ILE A 274 18.194 -22.796 -12.051 1.00 0.00 C ATOM 274 CG2 ILE A 274 17.737 -22.393 -14.525 1.00 0.00 C ATOM 275 CD1 ILE A 274 19.655 -22.316 -12.202 1.00 0.00 C ATOM 0 H ILE A 274 16.718 -21.198 -10.811 1.00 0.00 H new ATOM 0 HA ILE A 274 18.038 -20.156 -13.051 1.00 0.00 H new ATOM 0 HB ILE A 274 16.251 -22.617 -12.981 1.00 0.00 H new ATOM 0 HG12 ILE A 274 17.843 -22.563 -11.046 1.00 0.00 H new ATOM 0 HG13 ILE A 274 18.161 -23.880 -12.157 1.00 0.00 H new ATOM 0 HG21 ILE A 274 17.839 -23.464 -14.697 1.00 0.00 H new ATOM 0 HG22 ILE A 274 17.026 -21.977 -15.239 1.00 0.00 H new ATOM 0 HG23 ILE A 274 18.706 -21.911 -14.654 1.00 0.00 H new ATOM 0 HD11 ILE A 274 20.277 -22.801 -11.450 1.00 0.00 H new ATOM 0 HD12 ILE A 274 20.021 -22.572 -13.196 1.00 0.00 H new ATOM 0 HD13 ILE A 274 19.699 -21.235 -12.067 1.00 0.00 H new ATOM 287 N GLN A 275 16.374 -19.458 -14.848 1.00 0.00 N ATOM 288 CA GLN A 275 15.372 -18.855 -15.785 1.00 0.00 C ATOM 289 C GLN A 275 15.431 -19.594 -17.121 1.00 0.00 C ATOM 290 O GLN A 275 16.208 -20.542 -17.278 1.00 0.00 O ATOM 291 CB GLN A 275 15.683 -17.358 -15.984 1.00 0.00 C ATOM 292 CG GLN A 275 14.389 -16.530 -16.020 1.00 0.00 C ATOM 293 CD GLN A 275 14.675 -15.146 -16.590 1.00 0.00 C ATOM 294 OE1 GLN A 275 15.274 -15.026 -17.658 1.00 0.00 O ATOM 295 NE2 GLN A 275 14.281 -14.086 -15.938 1.00 0.00 N ATOM 0 H GLN A 275 17.346 -19.360 -15.141 1.00 0.00 H new ATOM 0 HA GLN A 275 14.369 -18.949 -15.368 1.00 0.00 H new ATOM 0 HB2 GLN A 275 16.323 -17.005 -15.176 1.00 0.00 H new ATOM 0 HB3 GLN A 275 16.236 -17.217 -16.913 1.00 0.00 H new ATOM 0 HG2 GLN A 275 13.640 -17.036 -16.629 1.00 0.00 H new ATOM 0 HG3 GLN A 275 13.976 -16.441 -15.015 1.00 0.00 H new ATOM 0 HE21 GLN A 275 13.785 -14.187 -15.053 1.00 0.00 H new ATOM 0 HE22 GLN A 275 14.470 -13.157 -16.314 1.00 0.00 H new ATOM 304 N ASP A 276 14.625 -19.183 -18.077 1.00 0.00 N ATOM 305 CA ASP A 276 14.611 -19.854 -19.413 1.00 0.00 C ATOM 306 C ASP A 276 15.557 -19.112 -20.368 1.00 0.00 C ATOM 307 O ASP A 276 15.199 -18.803 -21.514 1.00 0.00 O ATOM 308 CB ASP A 276 13.180 -19.872 -19.967 1.00 0.00 C ATOM 309 CG ASP A 276 12.300 -20.774 -19.106 1.00 0.00 C ATOM 310 OD1 ASP A 276 12.496 -21.976 -19.150 1.00 0.00 O ATOM 311 OD2 ASP A 276 11.445 -20.246 -18.415 1.00 0.00 O ATOM 0 H ASP A 276 13.973 -18.405 -17.984 1.00 0.00 H new ATOM 0 HA ASP A 276 14.954 -20.884 -19.313 1.00 0.00 H new ATOM 0 HB2 ASP A 276 12.774 -18.861 -19.982 1.00 0.00 H new ATOM 0 HB3 ASP A 276 13.184 -20.229 -20.997 1.00 0.00 H new ATOM 316 N THR A 277 16.761 -18.830 -19.918 1.00 0.00 N ATOM 317 CA THR A 277 17.756 -18.117 -20.781 1.00 0.00 C ATOM 318 C THR A 277 18.428 -19.126 -21.707 1.00 0.00 C ATOM 319 O THR A 277 18.329 -19.017 -22.933 1.00 0.00 O ATOM 320 CB THR A 277 18.814 -17.426 -19.913 1.00 0.00 C ATOM 321 OG1 THR A 277 19.418 -18.382 -19.054 1.00 0.00 O ATOM 322 CG2 THR A 277 18.158 -16.325 -19.075 1.00 0.00 C ATOM 0 H THR A 277 17.096 -19.066 -18.984 1.00 0.00 H new ATOM 0 HA THR A 277 17.241 -17.359 -21.372 1.00 0.00 H new ATOM 0 HB THR A 277 19.574 -16.982 -20.556 1.00 0.00 H new ATOM 0 HG1 THR A 277 20.096 -17.942 -18.500 1.00 0.00 H new ATOM 0 HG21 THR A 277 18.914 -15.837 -18.460 1.00 0.00 H new ATOM 0 HG22 THR A 277 17.698 -15.590 -19.736 1.00 0.00 H new ATOM 0 HG23 THR A 277 17.395 -16.763 -18.432 1.00 0.00 H new ATOM 330 N ASN A 278 19.102 -20.104 -21.141 1.00 0.00 N ATOM 331 CA ASN A 278 19.792 -21.144 -21.966 1.00 0.00 C ATOM 332 C ASN A 278 19.354 -22.534 -21.504 1.00 0.00 C ATOM 333 O ASN A 278 19.219 -23.452 -22.320 1.00 0.00 O ATOM 334 CB ASN A 278 21.310 -21.002 -21.829 1.00 0.00 C ATOM 335 CG ASN A 278 21.780 -19.761 -22.582 1.00 0.00 C ATOM 336 OD1 ASN A 278 21.470 -19.595 -23.761 1.00 0.00 O ATOM 337 ND2 ASN A 278 22.512 -18.873 -21.966 1.00 0.00 N ATOM 0 H ASN A 278 19.202 -20.224 -20.133 1.00 0.00 H new ATOM 0 HA ASN A 278 19.521 -21.009 -23.013 1.00 0.00 H new ATOM 0 HB2 ASN A 278 21.584 -20.927 -20.777 1.00 0.00 H new ATOM 0 HB3 ASN A 278 21.805 -21.889 -22.225 1.00 0.00 H new ATOM 0 HD21 ASN A 278 22.828 -18.040 -22.462 1.00 0.00 H new ATOM 0 HD22 ASN A 278 22.768 -19.012 -20.989 1.00 0.00 H new ATOM 344 N SER A 279 19.123 -22.703 -20.216 1.00 0.00 N ATOM 345 CA SER A 279 18.682 -24.027 -19.667 1.00 0.00 C ATOM 346 C SER A 279 19.735 -25.087 -19.972 1.00 0.00 C ATOM 347 O SER A 279 19.846 -25.558 -21.109 1.00 0.00 O ATOM 348 CB SER A 279 17.338 -24.437 -20.277 1.00 0.00 C ATOM 349 OG SER A 279 16.463 -23.316 -20.273 1.00 0.00 O ATOM 0 H SER A 279 19.224 -21.968 -19.516 1.00 0.00 H new ATOM 0 HA SER A 279 18.562 -23.938 -18.587 1.00 0.00 H new ATOM 0 HB2 SER A 279 17.482 -24.798 -21.295 1.00 0.00 H new ATOM 0 HB3 SER A 279 16.901 -25.257 -19.707 1.00 0.00 H new ATOM 0 HG SER A 279 15.602 -23.572 -20.664 1.00 0.00 H new ATOM 355 N LYS A 280 20.505 -25.471 -18.975 1.00 0.00 N ATOM 356 CA LYS A 280 21.565 -26.508 -19.177 1.00 0.00 C ATOM 357 C LYS A 280 21.540 -27.477 -18.002 1.00 0.00 C ATOM 358 O LYS A 280 21.420 -27.057 -16.845 1.00 0.00 O ATOM 359 CB LYS A 280 22.947 -25.853 -19.274 1.00 0.00 C ATOM 360 CG LYS A 280 22.990 -24.906 -20.476 1.00 0.00 C ATOM 361 CD LYS A 280 24.418 -24.386 -20.669 1.00 0.00 C ATOM 362 CE LYS A 280 24.433 -23.308 -21.758 1.00 0.00 C ATOM 363 NZ LYS A 280 25.833 -23.086 -22.228 1.00 0.00 N ATOM 0 H LYS A 280 20.441 -25.105 -18.025 1.00 0.00 H new ATOM 0 HA LYS A 280 21.370 -27.042 -20.107 1.00 0.00 H new ATOM 0 HB2 LYS A 280 23.164 -25.303 -18.358 1.00 0.00 H new ATOM 0 HB3 LYS A 280 23.716 -26.619 -19.375 1.00 0.00 H new ATOM 0 HG2 LYS A 280 22.657 -25.426 -21.374 1.00 0.00 H new ATOM 0 HG3 LYS A 280 22.306 -24.072 -20.319 1.00 0.00 H new ATOM 0 HD2 LYS A 280 24.795 -23.976 -19.732 1.00 0.00 H new ATOM 0 HD3 LYS A 280 25.080 -25.206 -20.947 1.00 0.00 H new ATOM 0 HE2 LYS A 280 23.803 -23.613 -22.593 1.00 0.00 H new ATOM 0 HE3 LYS A 280 24.018 -22.378 -21.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 25.839 -22.354 -22.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 26.422 -22.777 -21.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 26.214 -23.973 -22.616 1.00 0.00 H new ATOM 377 N LYS A 281 21.651 -28.758 -18.273 1.00 0.00 N ATOM 378 CA LYS A 281 21.636 -29.780 -17.180 1.00 0.00 C ATOM 379 C LYS A 281 22.678 -30.851 -17.480 1.00 0.00 C ATOM 380 O LYS A 281 23.067 -31.044 -18.637 1.00 0.00 O ATOM 381 CB LYS A 281 20.245 -30.416 -17.073 1.00 0.00 C ATOM 382 CG LYS A 281 19.233 -29.380 -16.559 1.00 0.00 C ATOM 383 CD LYS A 281 19.387 -29.204 -15.041 1.00 0.00 C ATOM 384 CE LYS A 281 18.653 -27.936 -14.583 1.00 0.00 C ATOM 385 NZ LYS A 281 17.188 -28.208 -14.467 1.00 0.00 N ATOM 0 H LYS A 281 21.752 -29.140 -19.213 1.00 0.00 H new ATOM 0 HA LYS A 281 21.872 -29.299 -16.231 1.00 0.00 H new ATOM 0 HB2 LYS A 281 19.931 -30.791 -18.047 1.00 0.00 H new ATOM 0 HB3 LYS A 281 20.278 -31.271 -16.398 1.00 0.00 H new ATOM 0 HG2 LYS A 281 19.390 -28.426 -17.062 1.00 0.00 H new ATOM 0 HG3 LYS A 281 18.219 -29.702 -16.795 1.00 0.00 H new ATOM 0 HD2 LYS A 281 18.985 -30.074 -14.523 1.00 0.00 H new ATOM 0 HD3 LYS A 281 20.443 -29.137 -14.779 1.00 0.00 H new ATOM 0 HE2 LYS A 281 19.047 -27.605 -13.622 1.00 0.00 H new ATOM 0 HE3 LYS A 281 18.826 -27.128 -15.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 16.698 -27.345 -14.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 16.816 -28.504 -15.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 17.029 -28.965 -13.772 1.00 0.00 H new ATOM 399 N GLN A 282 23.137 -31.540 -16.459 1.00 0.00 N ATOM 400 CA GLN A 282 24.165 -32.608 -16.650 1.00 0.00 C ATOM 401 C GLN A 282 23.482 -33.971 -16.643 1.00 0.00 C ATOM 402 O GLN A 282 22.443 -34.149 -15.998 1.00 0.00 O ATOM 403 CB GLN A 282 25.203 -32.542 -15.526 1.00 0.00 C ATOM 404 CG GLN A 282 25.961 -31.213 -15.602 1.00 0.00 C ATOM 405 CD GLN A 282 26.854 -31.184 -16.839 1.00 0.00 C ATOM 406 OE1 GLN A 282 27.586 -32.139 -17.101 1.00 0.00 O ATOM 407 NE2 GLN A 282 26.839 -30.138 -17.620 1.00 0.00 N ATOM 0 H GLN A 282 22.838 -31.404 -15.493 1.00 0.00 H new ATOM 0 HA GLN A 282 24.670 -32.458 -17.604 1.00 0.00 H new ATOM 0 HB2 GLN A 282 24.711 -32.637 -14.558 1.00 0.00 H new ATOM 0 HB3 GLN A 282 25.900 -33.375 -15.612 1.00 0.00 H new ATOM 0 HG2 GLN A 282 25.254 -30.384 -15.636 1.00 0.00 H new ATOM 0 HG3 GLN A 282 26.566 -31.079 -14.705 1.00 0.00 H new ATOM 0 HE21 GLN A 282 26.232 -29.348 -17.402 1.00 0.00 H new ATOM 0 HE22 GLN A 282 27.434 -30.111 -18.448 1.00 0.00 H new ATOM 416 N SER A 283 24.044 -34.930 -17.346 1.00 0.00 N ATOM 417 CA SER A 283 23.443 -36.299 -17.397 1.00 0.00 C ATOM 418 C SER A 283 24.543 -37.334 -17.190 1.00 0.00 C ATOM 419 O SER A 283 25.725 -37.042 -17.398 1.00 0.00 O ATOM 420 CB SER A 283 22.762 -36.526 -18.748 1.00 0.00 C ATOM 421 OG SER A 283 23.705 -36.317 -19.791 1.00 0.00 O ATOM 0 H SER A 283 24.900 -34.819 -17.890 1.00 0.00 H new ATOM 0 HA SER A 283 22.695 -36.396 -16.610 1.00 0.00 H new ATOM 0 HB2 SER A 283 22.362 -37.539 -18.801 1.00 0.00 H new ATOM 0 HB3 SER A 283 21.919 -35.844 -18.862 1.00 0.00 H new ATOM 0 HG SER A 283 23.272 -36.463 -20.658 1.00 0.00 H new ATOM 427 N ASP A 284 24.177 -38.531 -16.781 1.00 0.00 N ATOM 428 CA ASP A 284 25.193 -39.605 -16.546 1.00 0.00 C ATOM 429 C ASP A 284 25.924 -39.916 -17.849 1.00 0.00 C ATOM 430 O ASP A 284 27.143 -39.735 -17.939 1.00 0.00 O ATOM 431 CB ASP A 284 24.510 -40.870 -16.019 1.00 0.00 C ATOM 432 CG ASP A 284 24.326 -40.774 -14.507 1.00 0.00 C ATOM 433 OD1 ASP A 284 23.240 -41.082 -14.042 1.00 0.00 O ATOM 434 OD2 ASP A 284 25.273 -40.400 -13.835 1.00 0.00 O ATOM 0 H ASP A 284 23.212 -38.808 -16.600 1.00 0.00 H new ATOM 0 HA ASP A 284 25.912 -39.257 -15.804 1.00 0.00 H new ATOM 0 HB2 ASP A 284 23.542 -40.999 -16.504 1.00 0.00 H new ATOM 0 HB3 ASP A 284 25.110 -41.746 -16.266 1.00 0.00 H new ATOM 439 N THR A 285 25.210 -40.378 -18.854 1.00 0.00 N ATOM 440 CA THR A 285 25.853 -40.707 -20.164 1.00 0.00 C ATOM 441 C THR A 285 26.457 -39.436 -20.755 1.00 0.00 C ATOM 442 O THR A 285 26.368 -38.363 -20.149 1.00 0.00 O ATOM 443 CB THR A 285 24.820 -41.296 -21.130 1.00 0.00 C ATOM 444 OG1 THR A 285 23.729 -40.397 -21.262 1.00 0.00 O ATOM 445 CG2 THR A 285 24.319 -42.635 -20.585 1.00 0.00 C ATOM 0 H THR A 285 24.204 -40.541 -18.819 1.00 0.00 H new ATOM 0 HA THR A 285 26.638 -41.447 -20.007 1.00 0.00 H new ATOM 0 HB THR A 285 25.280 -41.452 -22.106 1.00 0.00 H new ATOM 0 HG1 THR A 285 23.069 -40.773 -21.881 1.00 0.00 H new ATOM 0 HG21 THR A 285 23.584 -43.055 -21.271 1.00 0.00 H new ATOM 0 HG22 THR A 285 25.158 -43.324 -20.485 1.00 0.00 H new ATOM 0 HG23 THR A 285 23.858 -42.481 -19.609 1.00 0.00 H new