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= -0.0884 (180deg=-0.863) USER MOD Single : A 267 MET CE :methyl -173:sc= 0 (180deg=-0.0321) USER MOD Single : A 270 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 271 LYS NZ :NH3+ 153:sc= -0.13 (180deg=-0.678) USER MOD Single : A 272 CYS SG : rot 180:sc= 0 USER MOD Single : A 275 GLN : amide:sc= -0.957 K(o=-0.96,f=-4.6!) USER MOD Single : A 277 THR OG1 : rot 180:sc= -0.0853 USER MOD Single : A 278 ASN : amide:sc= -0.315 K(o=-0.32,f=-2.9!) 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+ 165:sc=-0.00198 (180deg=-0.141) 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 -12.047 -19.449 0.640 1.00 0.00 N ATOM 11 CA PRO A 259 -10.862 -18.705 1.165 1.00 0.00 C ATOM 12 C PRO A 259 -9.714 -19.625 1.603 1.00 0.00 C ATOM 13 O PRO A 259 -8.667 -19.131 2.028 1.00 0.00 O ATOM 14 CB PRO A 259 -11.438 -17.928 2.355 1.00 0.00 C ATOM 15 CG PRO A 259 -12.911 -18.308 2.535 1.00 0.00 C ATOM 16 CD PRO A 259 -13.277 -19.373 1.498 1.00 0.00 C ATOM 0 HA PRO A 259 -10.410 -18.071 0.402 1.00 0.00 H new ATOM 0 HB2 PRO A 259 -10.877 -18.157 3.261 1.00 0.00 H new ATOM 0 HB3 PRO A 259 -11.344 -16.855 2.185 1.00 0.00 H new ATOM 0 HG2 PRO A 259 -13.082 -18.688 3.542 1.00 0.00 H new ATOM 0 HG3 PRO A 259 -13.545 -17.430 2.413 1.00 0.00 H new ATOM 0 HD2 PRO A 259 -13.502 -20.331 1.966 1.00 0.00 H new ATOM 0 HD3 PRO A 259 -14.155 -19.087 0.919 1.00 0.00 H new ATOM 24 N ARG A 260 -9.878 -20.940 1.507 1.00 0.00 N ATOM 25 CA ARG A 260 -8.781 -21.888 1.913 1.00 0.00 C ATOM 26 C ARG A 260 -7.467 -21.448 1.254 1.00 0.00 C ATOM 27 O ARG A 260 -7.493 -20.591 0.359 1.00 0.00 O ATOM 28 CB ARG A 260 -9.162 -23.336 1.497 1.00 0.00 C ATOM 29 CG ARG A 260 -9.061 -23.562 -0.039 1.00 0.00 C ATOM 30 CD ARG A 260 -10.395 -23.285 -0.742 1.00 0.00 C ATOM 31 NE ARG A 260 -10.167 -23.167 -2.221 1.00 0.00 N ATOM 32 CZ ARG A 260 -11.152 -23.282 -3.099 1.00 0.00 C ATOM 33 NH1 ARG A 260 -10.887 -23.140 -4.369 1.00 0.00 N ATOM 34 NH2 ARG A 260 -12.385 -23.550 -2.730 1.00 0.00 N ATOM 0 H ARG A 260 -10.727 -21.390 1.164 1.00 0.00 H new ATOM 0 HA ARG A 260 -8.650 -21.871 2.995 1.00 0.00 H new ATOM 0 HB2 ARG A 260 -8.507 -24.041 2.008 1.00 0.00 H new ATOM 0 HB3 ARG A 260 -10.179 -23.549 1.826 1.00 0.00 H new ATOM 0 HG2 ARG A 260 -8.290 -22.912 -0.453 1.00 0.00 H new ATOM 0 HG3 ARG A 260 -8.752 -24.589 -0.236 1.00 0.00 H new ATOM 0 HD2 ARG A 260 -11.101 -24.089 -0.535 1.00 0.00 H new ATOM 0 HD3 ARG A 260 -10.837 -22.366 -0.357 1.00 0.00 H new ATOM 0 HE ARG A 260 -9.221 -22.992 -2.561 1.00 0.00 H new ATOM 0 HH11 ARG A 260 -9.933 -22.944 -4.672 1.00 0.00 H new ATOM 0 HH12 ARG A 260 -11.634 -23.225 -5.058 1.00 0.00 H new ATOM 0 HH21 ARG A 260 -12.606 -23.676 -1.742 1.00 0.00 H new ATOM 0 HH22 ARG A 260 -13.121 -23.632 -3.432 1.00 0.00 H new ATOM 48 N LEU A 261 -6.339 -22.027 1.621 1.00 0.00 N ATOM 49 CA LEU A 261 -5.081 -21.622 0.931 1.00 0.00 C ATOM 50 C LEU A 261 -5.065 -22.360 -0.395 1.00 0.00 C ATOM 51 O LEU A 261 -5.276 -23.578 -0.430 1.00 0.00 O ATOM 52 CB LEU A 261 -3.808 -21.866 1.797 1.00 0.00 C ATOM 53 CG LEU A 261 -3.254 -23.319 1.719 1.00 0.00 C ATOM 54 CD1 LEU A 261 -2.447 -23.541 0.408 1.00 0.00 C ATOM 55 CD2 LEU A 261 -2.327 -23.552 2.930 1.00 0.00 C ATOM 0 H LEU A 261 -6.243 -22.739 2.345 1.00 0.00 H new ATOM 0 HA LEU A 261 -5.061 -20.546 0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 261 -3.028 -21.174 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 261 -4.039 -21.632 2.836 1.00 0.00 H new ATOM 0 HG LEU A 261 -4.090 -24.019 1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 261 -2.072 -24.564 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 261 -3.095 -23.369 -0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 261 -1.608 -22.846 0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 261 -1.928 -24.566 2.893 1.00 0.00 H new ATOM 0 HD22 LEU A 261 -1.504 -22.837 2.901 1.00 0.00 H new ATOM 0 HD23 LEU A 261 -2.892 -23.418 3.852 1.00 0.00 H new ATOM 67 N ARG A 262 -4.861 -21.651 -1.478 1.00 0.00 N ATOM 68 CA ARG A 262 -4.860 -22.310 -2.814 1.00 0.00 C ATOM 69 C ARG A 262 -3.421 -22.586 -3.235 1.00 0.00 C ATOM 70 O ARG A 262 -2.500 -22.476 -2.418 1.00 0.00 O ATOM 71 CB ARG A 262 -5.603 -21.431 -3.833 1.00 0.00 C ATOM 72 CG ARG A 262 -7.107 -21.422 -3.489 1.00 0.00 C ATOM 73 CD ARG A 262 -7.935 -21.104 -4.735 1.00 0.00 C ATOM 74 NE ARG A 262 -7.868 -22.252 -5.700 1.00 0.00 N ATOM 75 CZ ARG A 262 -8.706 -22.361 -6.723 1.00 0.00 C ATOM 76 NH1 ARG A 262 -8.586 -23.376 -7.536 1.00 0.00 N ATOM 77 NH2 ARG A 262 -9.660 -21.483 -6.939 1.00 0.00 N ATOM 0 H ARG A 262 -4.695 -20.645 -1.491 1.00 0.00 H new ATOM 0 HA ARG A 262 -5.386 -23.263 -2.766 1.00 0.00 H new ATOM 0 HB2 ARG A 262 -5.207 -20.416 -3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 262 -5.450 -21.814 -4.842 1.00 0.00 H new ATOM 0 HG2 ARG A 262 -7.401 -22.392 -3.087 1.00 0.00 H new ATOM 0 HG3 ARG A 262 -7.305 -20.682 -2.714 1.00 0.00 H new ATOM 0 HD2 ARG A 262 -8.971 -20.913 -4.455 1.00 0.00 H new ATOM 0 HD3 ARG A 262 -7.561 -20.197 -5.209 1.00 0.00 H new ATOM 0 HE ARG A 262 -7.156 -22.970 -5.565 1.00 0.00 H new ATOM 0 HH11 ARG A 262 -7.856 -24.071 -7.380 1.00 0.00 H new ATOM 0 HH12 ARG A 262 -9.222 -23.474 -8.327 1.00 0.00 H new ATOM 0 HH21 ARG A 262 -9.773 -20.688 -6.310 1.00 0.00 H new ATOM 0 HH22 ARG A 262 -10.287 -21.597 -7.735 1.00 0.00 H new ATOM 91 N LYS A 263 -3.210 -22.962 -4.475 1.00 0.00 N ATOM 92 CA LYS A 263 -1.837 -23.278 -4.963 1.00 0.00 C ATOM 93 C LYS A 263 -0.915 -22.083 -4.723 1.00 0.00 C ATOM 94 O LYS A 263 -1.332 -21.066 -4.155 1.00 0.00 O ATOM 95 CB LYS A 263 -1.877 -23.650 -6.453 1.00 0.00 C ATOM 96 CG LYS A 263 -2.506 -22.516 -7.273 1.00 0.00 C ATOM 97 CD LYS A 263 -2.657 -22.947 -8.736 1.00 0.00 C ATOM 98 CE LYS A 263 -1.296 -22.906 -9.436 1.00 0.00 C ATOM 99 NZ LYS A 263 -1.488 -23.078 -10.903 1.00 0.00 N ATOM 0 H LYS A 263 -3.944 -23.063 -5.176 1.00 0.00 H new ATOM 0 HA LYS A 263 -1.446 -24.133 -4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 263 -0.867 -23.849 -6.811 1.00 0.00 H new ATOM 0 HB3 LYS A 263 -2.450 -24.567 -6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 263 -3.480 -22.255 -6.860 1.00 0.00 H new ATOM 0 HG3 LYS A 263 -1.884 -21.623 -7.211 1.00 0.00 H new ATOM 0 HD2 LYS A 263 -3.071 -23.954 -8.786 1.00 0.00 H new ATOM 0 HD3 LYS A 263 -3.358 -22.288 -9.248 1.00 0.00 H new ATOM 0 HE2 LYS A 263 -0.798 -21.958 -9.232 1.00 0.00 H new ATOM 0 HE3 LYS A 263 -0.651 -23.694 -9.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 263 -0.564 -23.050 -11.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 263 -1.946 -23.993 -11.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 263 -2.088 -22.311 -11.267 1.00 0.00 H new ATOM 113 N GLY A 264 0.328 -22.202 -5.126 1.00 0.00 N ATOM 114 CA GLY A 264 1.319 -21.103 -4.920 1.00 0.00 C ATOM 115 C GLY A 264 2.179 -21.416 -3.692 1.00 0.00 C ATOM 116 O GLY A 264 2.682 -20.502 -3.031 1.00 0.00 O ATOM 0 H GLY A 264 0.701 -23.027 -5.596 1.00 0.00 H new ATOM 0 HA2 GLY A 264 1.950 -20.998 -5.802 1.00 0.00 H new ATOM 0 HA3 GLY A 264 0.802 -20.153 -4.783 1.00 0.00 H new ATOM 120 N ARG A 265 2.357 -22.687 -3.379 1.00 0.00 N ATOM 121 CA ARG A 265 3.180 -23.082 -2.197 1.00 0.00 C ATOM 122 C ARG A 265 4.617 -22.631 -2.418 1.00 0.00 C ATOM 123 O ARG A 265 4.980 -22.212 -3.520 1.00 0.00 O ATOM 124 CB ARG A 265 3.145 -24.601 -2.009 1.00 0.00 C ATOM 125 CG ARG A 265 1.713 -25.053 -1.713 1.00 0.00 C ATOM 126 CD ARG A 265 1.710 -26.551 -1.403 1.00 0.00 C ATOM 127 NE ARG A 265 2.140 -27.337 -2.608 1.00 0.00 N ATOM 128 CZ ARG A 265 2.502 -28.610 -2.523 1.00 0.00 C ATOM 129 NH1 ARG A 265 2.865 -29.239 -3.608 1.00 0.00 N ATOM 130 NH2 ARG A 265 2.508 -29.257 -1.377 1.00 0.00 N ATOM 0 H ARG A 265 1.960 -23.468 -3.902 1.00 0.00 H new ATOM 0 HA ARG A 265 2.774 -22.608 -1.303 1.00 0.00 H new ATOM 0 HB2 ARG A 265 3.514 -25.097 -2.907 1.00 0.00 H new ATOM 0 HB3 ARG A 265 3.804 -24.891 -1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 265 1.310 -24.494 -0.868 1.00 0.00 H new ATOM 0 HG3 ARG A 265 1.070 -24.846 -2.568 1.00 0.00 H new ATOM 0 HD2 ARG A 265 2.380 -26.757 -0.569 1.00 0.00 H new ATOM 0 HD3 ARG A 265 0.712 -26.863 -1.095 1.00 0.00 H new ATOM 0 HE ARG A 265 2.154 -26.878 -3.519 1.00 0.00 H new ATOM 0 HH11 ARG A 265 2.867 -28.751 -4.504 1.00 0.00 H new ATOM 0 HH12 ARG A 265 3.146 -30.218 -3.560 1.00 0.00 H new ATOM 0 HH21 ARG A 265 2.229 -28.779 -0.520 1.00 0.00 H new ATOM 0 HH22 ARG A 265 2.792 -30.236 -1.346 1.00 0.00 H new ATOM 144 N MET A 266 5.432 -22.704 -1.394 1.00 0.00 N ATOM 145 CA MET A 266 6.861 -22.283 -1.510 1.00 0.00 C ATOM 146 C MET A 266 7.554 -23.065 -2.628 1.00 0.00 C ATOM 147 O MET A 266 7.867 -24.248 -2.464 1.00 0.00 O ATOM 148 CB MET A 266 7.587 -22.539 -0.186 1.00 0.00 C ATOM 149 CG MET A 266 7.073 -21.563 0.873 1.00 0.00 C ATOM 150 SD MET A 266 7.800 -21.976 2.479 1.00 0.00 S ATOM 151 CE MET A 266 9.499 -21.484 2.094 1.00 0.00 C ATOM 0 H MET A 266 5.162 -23.042 -0.470 1.00 0.00 H new ATOM 0 HA MET A 266 6.894 -21.219 -1.744 1.00 0.00 H new ATOM 0 HB2 MET A 266 7.421 -23.566 0.139 1.00 0.00 H new ATOM 0 HB3 MET A 266 8.662 -22.416 -0.318 1.00 0.00 H new ATOM 0 HG2 MET A 266 7.332 -20.541 0.597 1.00 0.00 H new ATOM 0 HG3 MET A 266 5.986 -21.612 0.931 1.00 0.00 H new ATOM 0 HE1 MET A 266 10.027 -21.247 3.017 1.00 0.00 H new ATOM 0 HE2 MET A 266 10.008 -22.302 1.585 1.00 0.00 H new ATOM 0 HE3 MET A 266 9.486 -20.606 1.448 1.00 0.00 H new ATOM 161 N MET A 267 7.821 -22.417 -3.742 1.00 0.00 N ATOM 162 CA MET A 267 8.526 -23.090 -4.882 1.00 0.00 C ATOM 163 C MET A 267 10.010 -22.689 -4.798 1.00 0.00 C ATOM 164 O MET A 267 10.500 -22.416 -3.699 1.00 0.00 O ATOM 165 CB MET A 267 7.907 -22.654 -6.230 1.00 0.00 C ATOM 166 CG MET A 267 6.415 -22.988 -6.263 1.00 0.00 C ATOM 167 SD MET A 267 5.792 -22.789 -7.951 1.00 0.00 S ATOM 168 CE MET A 267 5.578 -20.993 -7.896 1.00 0.00 C ATOM 0 H MET A 267 7.577 -21.441 -3.910 1.00 0.00 H new ATOM 0 HA MET A 267 8.424 -24.173 -4.819 1.00 0.00 H new ATOM 0 HB2 MET A 267 8.050 -21.583 -6.374 1.00 0.00 H new ATOM 0 HB3 MET A 267 8.417 -23.157 -7.052 1.00 0.00 H new ATOM 0 HG2 MET A 267 6.252 -24.010 -5.922 1.00 0.00 H new ATOM 0 HG3 MET A 267 5.869 -22.334 -5.583 1.00 0.00 H new ATOM 0 HE1 MET A 267 5.079 -20.658 -8.805 1.00 0.00 H new ATOM 0 HE2 MET A 267 4.973 -20.725 -7.030 1.00 0.00 H new ATOM 0 HE3 MET A 267 6.553 -20.513 -7.820 1.00 0.00 H new ATOM 178 N ASP A 268 10.732 -22.637 -5.908 1.00 0.00 N ATOM 179 CA ASP A 268 12.176 -22.229 -5.861 1.00 0.00 C ATOM 180 C ASP A 268 12.266 -20.811 -5.291 1.00 0.00 C ATOM 181 O ASP A 268 12.146 -19.825 -6.028 1.00 0.00 O ATOM 182 CB ASP A 268 12.798 -22.258 -7.265 1.00 0.00 C ATOM 183 CG ASP A 268 11.909 -21.508 -8.254 1.00 0.00 C ATOM 184 OD1 ASP A 268 10.791 -21.947 -8.466 1.00 0.00 O ATOM 185 OD2 ASP A 268 12.361 -20.506 -8.784 1.00 0.00 O ATOM 0 H ASP A 268 10.378 -22.860 -6.838 1.00 0.00 H new ATOM 0 HA ASP A 268 12.724 -22.929 -5.230 1.00 0.00 H new ATOM 0 HB2 ASP A 268 13.789 -21.805 -7.240 1.00 0.00 H new ATOM 0 HB3 ASP A 268 12.927 -23.290 -7.592 1.00 0.00 H new ATOM 190 N VAL A 269 12.469 -20.692 -3.995 1.00 0.00 N ATOM 191 CA VAL A 269 12.568 -19.343 -3.350 1.00 0.00 C ATOM 192 C VAL A 269 14.002 -19.118 -2.876 1.00 0.00 C ATOM 193 O VAL A 269 14.563 -18.035 -3.068 1.00 0.00 O ATOM 194 CB VAL A 269 11.587 -19.226 -2.167 1.00 0.00 C ATOM 195 CG1 VAL A 269 10.148 -19.324 -2.683 1.00 0.00 C ATOM 196 CG2 VAL A 269 11.834 -20.348 -1.148 1.00 0.00 C ATOM 0 H VAL A 269 12.571 -21.479 -3.355 1.00 0.00 H new ATOM 0 HA VAL A 269 12.301 -18.579 -4.081 1.00 0.00 H new ATOM 0 HB VAL A 269 11.744 -18.264 -1.680 1.00 0.00 H new ATOM 0 HG11 VAL A 269 9.455 -19.241 -1.846 1.00 0.00 H new ATOM 0 HG12 VAL A 269 9.960 -18.517 -3.391 1.00 0.00 H new ATOM 0 HG13 VAL A 269 10.004 -20.284 -3.180 1.00 0.00 H new ATOM 0 HG21 VAL A 269 11.132 -20.249 -0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 269 11.692 -21.315 -1.630 1.00 0.00 H new ATOM 0 HG23 VAL A 269 12.854 -20.278 -0.769 1.00 0.00 H new ATOM 206 N LYS A 270 14.603 -20.124 -2.280 1.00 0.00 N ATOM 207 CA LYS A 270 16.018 -20.002 -1.797 1.00 0.00 C ATOM 208 C LYS A 270 16.998 -20.346 -2.930 1.00 0.00 C ATOM 209 O LYS A 270 18.209 -20.148 -2.782 1.00 0.00 O ATOM 210 CB LYS A 270 16.260 -20.949 -0.619 1.00 0.00 C ATOM 211 CG LYS A 270 15.574 -20.409 0.637 1.00 0.00 C ATOM 212 CD LYS A 270 15.847 -21.350 1.812 1.00 0.00 C ATOM 213 CE LYS A 270 15.172 -20.806 3.072 1.00 0.00 C ATOM 214 NZ LYS A 270 15.433 -21.727 4.215 1.00 0.00 N ATOM 0 H LYS A 270 14.170 -21.031 -2.107 1.00 0.00 H new ATOM 0 HA LYS A 270 16.182 -18.974 -1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 270 15.876 -21.941 -0.855 1.00 0.00 H new ATOM 0 HB3 LYS A 270 17.330 -21.055 -0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 270 15.943 -19.409 0.865 1.00 0.00 H new ATOM 0 HG3 LYS A 270 14.501 -20.322 0.469 1.00 0.00 H new ATOM 0 HD2 LYS A 270 15.470 -22.348 1.587 1.00 0.00 H new ATOM 0 HD3 LYS A 270 16.921 -21.444 1.974 1.00 0.00 H new ATOM 0 HE2 LYS A 270 15.552 -19.810 3.300 1.00 0.00 H new ATOM 0 HE3 LYS A 270 14.099 -20.708 2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 270 14.974 -21.356 5.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 270 15.050 -22.669 3.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 270 16.458 -21.799 4.376 1.00 0.00 H new ATOM 228 N LYS A 271 16.507 -20.858 -4.042 1.00 0.00 N ATOM 229 CA LYS A 271 17.397 -21.227 -5.184 1.00 0.00 C ATOM 230 C LYS A 271 17.748 -19.981 -5.985 1.00 0.00 C ATOM 231 O LYS A 271 17.239 -18.889 -5.714 1.00 0.00 O ATOM 232 CB LYS A 271 16.683 -22.223 -6.102 1.00 0.00 C ATOM 233 CG LYS A 271 16.732 -23.630 -5.497 1.00 0.00 C ATOM 234 CD LYS A 271 16.006 -24.616 -6.423 1.00 0.00 C ATOM 235 CE LYS A 271 16.891 -24.942 -7.631 1.00 0.00 C ATOM 236 NZ LYS A 271 18.091 -25.701 -7.179 1.00 0.00 N ATOM 0 H LYS A 271 15.515 -21.035 -4.202 1.00 0.00 H new ATOM 0 HA LYS A 271 18.306 -21.681 -4.789 1.00 0.00 H new ATOM 0 HB2 LYS A 271 15.647 -21.917 -6.246 1.00 0.00 H new ATOM 0 HB3 LYS A 271 17.154 -22.225 -7.085 1.00 0.00 H new ATOM 0 HG2 LYS A 271 17.767 -23.941 -5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 271 16.265 -23.630 -4.512 1.00 0.00 H new ATOM 0 HD2 LYS A 271 15.766 -25.530 -5.880 1.00 0.00 H new ATOM 0 HD3 LYS A 271 15.062 -24.187 -6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 271 16.330 -25.528 -8.358 1.00 0.00 H new ATOM 0 HE3 LYS A 271 17.196 -24.022 -8.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 271 18.436 -26.300 -7.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 271 18.838 -25.034 -6.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 271 17.838 -26.300 -6.367 1.00 0.00 H new ATOM 250 N CYS A 272 18.595 -20.137 -6.975 1.00 0.00 N ATOM 251 CA CYS A 272 18.996 -18.987 -7.840 1.00 0.00 C ATOM 252 C CYS A 272 17.791 -18.520 -8.655 1.00 0.00 C ATOM 253 O CYS A 272 17.681 -17.334 -8.986 1.00 0.00 O ATOM 254 CB CYS A 272 20.118 -19.414 -8.793 1.00 0.00 C ATOM 255 SG CYS A 272 21.718 -19.212 -7.972 1.00 0.00 S ATOM 0 H CYS A 272 19.030 -21.026 -7.222 1.00 0.00 H new ATOM 0 HA CYS A 272 19.352 -18.173 -7.209 1.00 0.00 H new ATOM 0 HB2 CYS A 272 19.980 -20.453 -9.092 1.00 0.00 H new ATOM 0 HB3 CYS A 272 20.086 -18.813 -9.702 1.00 0.00 H new ATOM 0 HG CYS A 272 22.669 -19.576 -8.780 1.00 0.00 H new ATOM 261 N GLY A 273 16.902 -19.430 -9.000 1.00 0.00 N ATOM 262 CA GLY A 273 15.708 -19.063 -9.818 1.00 0.00 C ATOM 263 C GLY A 273 16.099 -19.139 -11.285 1.00 0.00 C ATOM 264 O GLY A 273 16.267 -18.118 -11.958 1.00 0.00 O ATOM 0 H GLY A 273 16.959 -20.416 -8.745 1.00 0.00 H new ATOM 0 HA2 GLY A 273 14.881 -19.741 -9.609 1.00 0.00 H new ATOM 0 HA3 GLY A 273 15.368 -18.058 -9.566 1.00 0.00 H new ATOM 268 N ILE A 274 16.262 -20.341 -11.774 1.00 0.00 N ATOM 269 CA ILE A 274 16.669 -20.569 -13.200 1.00 0.00 C ATOM 270 C ILE A 274 15.680 -19.854 -14.120 1.00 0.00 C ATOM 271 O ILE A 274 14.485 -19.773 -13.816 1.00 0.00 O ATOM 272 CB ILE A 274 16.686 -22.081 -13.518 1.00 0.00 C ATOM 273 CG1 ILE A 274 17.530 -22.864 -12.465 1.00 0.00 C ATOM 274 CG2 ILE A 274 17.242 -22.319 -14.933 1.00 0.00 C ATOM 275 CD1 ILE A 274 19.023 -22.477 -12.498 1.00 0.00 C ATOM 0 H ILE A 274 16.128 -21.196 -11.234 1.00 0.00 H new ATOM 0 HA ILE A 274 17.672 -20.172 -13.358 1.00 0.00 H new ATOM 0 HB ILE A 274 15.662 -22.451 -13.473 1.00 0.00 H new ATOM 0 HG12 ILE A 274 17.130 -22.673 -11.469 1.00 0.00 H new ATOM 0 HG13 ILE A 274 17.431 -23.934 -12.648 1.00 0.00 H new ATOM 0 HG21 ILE A 274 17.249 -23.388 -15.146 1.00 0.00 H new ATOM 0 HG22 ILE A 274 16.613 -21.808 -15.662 1.00 0.00 H new ATOM 0 HG23 ILE A 274 18.258 -21.930 -14.995 1.00 0.00 H new ATOM 0 HD11 ILE A 274 19.564 -23.051 -11.746 1.00 0.00 H new ATOM 0 HD12 ILE A 274 19.433 -22.693 -13.484 1.00 0.00 H new ATOM 0 HD13 ILE A 274 19.128 -21.413 -12.287 1.00 0.00 H new ATOM 287 N GLN A 275 16.159 -19.335 -15.230 1.00 0.00 N ATOM 288 CA GLN A 275 15.266 -18.615 -16.189 1.00 0.00 C ATOM 289 C GLN A 275 15.499 -19.153 -17.596 1.00 0.00 C ATOM 290 O GLN A 275 16.562 -19.714 -17.885 1.00 0.00 O ATOM 291 CB GLN A 275 15.559 -17.112 -16.149 1.00 0.00 C ATOM 292 CG GLN A 275 14.439 -16.349 -16.858 1.00 0.00 C ATOM 293 CD GLN A 275 14.641 -14.848 -16.686 1.00 0.00 C ATOM 294 OE1 GLN A 275 15.751 -14.347 -16.864 1.00 0.00 O ATOM 295 NE2 GLN A 275 13.630 -14.097 -16.346 1.00 0.00 N ATOM 0 H GLN A 275 17.138 -19.382 -15.511 1.00 0.00 H new ATOM 0 HA GLN A 275 14.226 -18.777 -15.907 1.00 0.00 H new ATOM 0 HB2 GLN A 275 15.644 -16.776 -15.116 1.00 0.00 H new ATOM 0 HB3 GLN A 275 16.515 -16.905 -16.631 1.00 0.00 H new ATOM 0 HG2 GLN A 275 14.428 -16.604 -17.918 1.00 0.00 H new ATOM 0 HG3 GLN A 275 13.472 -16.643 -16.450 1.00 0.00 H new ATOM 0 HE21 GLN A 275 12.711 -14.515 -16.199 1.00 0.00 H new ATOM 0 HE22 GLN A 275 13.758 -13.092 -16.227 1.00 0.00 H new ATOM 304 N ASP A 276 14.529 -18.997 -18.471 1.00 0.00 N ATOM 305 CA ASP A 276 14.669 -19.498 -19.872 1.00 0.00 C ATOM 306 C ASP A 276 15.337 -18.416 -20.730 1.00 0.00 C ATOM 307 O ASP A 276 14.877 -18.100 -21.836 1.00 0.00 O ATOM 308 CB ASP A 276 13.289 -19.867 -20.433 1.00 0.00 C ATOM 309 CG ASP A 276 12.780 -21.141 -19.767 1.00 0.00 C ATOM 310 OD1 ASP A 276 11.708 -21.096 -19.186 1.00 0.00 O ATOM 311 OD2 ASP A 276 13.472 -22.143 -19.845 1.00 0.00 O ATOM 0 H ASP A 276 13.640 -18.539 -18.268 1.00 0.00 H new ATOM 0 HA ASP A 276 15.292 -20.392 -19.886 1.00 0.00 H new ATOM 0 HB2 ASP A 276 12.587 -19.051 -20.261 1.00 0.00 H new ATOM 0 HB3 ASP A 276 13.352 -20.011 -21.512 1.00 0.00 H new ATOM 316 N THR A 277 16.419 -17.852 -20.239 1.00 0.00 N ATOM 317 CA THR A 277 17.146 -16.791 -21.003 1.00 0.00 C ATOM 318 C THR A 277 17.934 -17.444 -22.133 1.00 0.00 C ATOM 319 O THR A 277 17.795 -17.059 -23.298 1.00 0.00 O ATOM 320 CB THR A 277 18.101 -16.032 -20.078 1.00 0.00 C ATOM 321 OG1 THR A 277 18.908 -16.959 -19.366 1.00 0.00 O ATOM 322 CG2 THR A 277 17.294 -15.189 -19.089 1.00 0.00 C ATOM 0 H THR A 277 16.830 -18.085 -19.335 1.00 0.00 H new ATOM 0 HA THR A 277 16.425 -16.084 -21.414 1.00 0.00 H new ATOM 0 HB THR A 277 18.739 -15.378 -20.673 1.00 0.00 H new ATOM 0 HG1 THR A 277 19.521 -16.473 -18.775 1.00 0.00 H new ATOM 0 HG21 THR A 277 17.975 -14.649 -18.431 1.00 0.00 H new ATOM 0 HG22 THR A 277 16.677 -14.476 -19.637 1.00 0.00 H new ATOM 0 HG23 THR A 277 16.654 -15.840 -18.494 1.00 0.00 H new ATOM 330 N ASN A 278 18.750 -18.423 -21.809 1.00 0.00 N ATOM 331 CA ASN A 278 19.561 -19.125 -22.851 1.00 0.00 C ATOM 332 C ASN A 278 19.310 -20.627 -22.750 1.00 0.00 C ATOM 333 O ASN A 278 18.822 -21.247 -23.700 1.00 0.00 O ATOM 334 CB ASN A 278 21.049 -18.832 -22.642 1.00 0.00 C ATOM 335 CG ASN A 278 21.809 -19.051 -23.944 1.00 0.00 C ATOM 336 OD1 ASN A 278 22.135 -20.187 -24.291 1.00 0.00 O ATOM 337 ND2 ASN A 278 22.112 -18.026 -24.691 1.00 0.00 N ATOM 0 H ASN A 278 18.887 -18.766 -20.858 1.00 0.00 H new ATOM 0 HA ASN A 278 19.270 -18.770 -23.839 1.00 0.00 H new ATOM 0 HB2 ASN A 278 21.182 -17.805 -22.302 1.00 0.00 H new ATOM 0 HB3 ASN A 278 21.450 -19.480 -21.863 1.00 0.00 H new ATOM 0 HD21 ASN A 278 22.620 -18.164 -25.565 1.00 0.00 H new ATOM 0 HD22 ASN A 278 21.841 -17.086 -24.402 1.00 0.00 H new ATOM 344 N SER A 279 19.628 -21.216 -21.617 1.00 0.00 N ATOM 345 CA SER A 279 19.414 -22.684 -21.418 1.00 0.00 C ATOM 346 C SER A 279 20.101 -23.463 -22.540 1.00 0.00 C ATOM 347 O SER A 279 19.507 -23.705 -23.598 1.00 0.00 O ATOM 348 CB SER A 279 17.916 -22.996 -21.400 1.00 0.00 C ATOM 349 OG SER A 279 17.726 -24.398 -21.540 1.00 0.00 O ATOM 0 H SER A 279 20.031 -20.733 -20.814 1.00 0.00 H new ATOM 0 HA SER A 279 19.846 -22.983 -20.463 1.00 0.00 H new ATOM 0 HB2 SER A 279 17.472 -22.649 -20.467 1.00 0.00 H new ATOM 0 HB3 SER A 279 17.413 -22.467 -22.209 1.00 0.00 H new ATOM 0 HG SER A 279 16.767 -24.601 -21.527 1.00 0.00 H new ATOM 355 N LYS A 280 21.338 -23.856 -22.327 1.00 0.00 N ATOM 356 CA LYS A 280 22.090 -24.622 -23.364 1.00 0.00 C ATOM 357 C LYS A 280 22.969 -25.668 -22.678 1.00 0.00 C ATOM 358 O LYS A 280 24.110 -25.385 -22.296 1.00 0.00 O ATOM 359 CB LYS A 280 22.956 -23.659 -24.188 1.00 0.00 C ATOM 360 CG LYS A 280 23.252 -24.260 -25.566 1.00 0.00 C ATOM 361 CD LYS A 280 24.014 -23.240 -26.419 1.00 0.00 C ATOM 362 CE LYS A 280 23.048 -22.174 -26.948 1.00 0.00 C ATOM 363 NZ LYS A 280 23.800 -21.194 -27.780 1.00 0.00 N ATOM 0 H LYS A 280 21.859 -23.674 -21.469 1.00 0.00 H new ATOM 0 HA LYS A 280 21.391 -25.125 -24.032 1.00 0.00 H new ATOM 0 HB2 LYS A 280 22.443 -22.704 -24.302 1.00 0.00 H new ATOM 0 HB3 LYS A 280 23.890 -23.458 -23.663 1.00 0.00 H new ATOM 0 HG2 LYS A 280 23.841 -25.171 -25.458 1.00 0.00 H new ATOM 0 HG3 LYS A 280 22.321 -24.539 -26.060 1.00 0.00 H new ATOM 0 HD2 LYS A 280 24.798 -22.770 -25.825 1.00 0.00 H new ATOM 0 HD3 LYS A 280 24.504 -23.744 -27.252 1.00 0.00 H new ATOM 0 HE2 LYS A 280 22.261 -22.642 -27.540 1.00 0.00 H new ATOM 0 HE3 LYS A 280 22.561 -21.664 -26.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 23.146 -20.470 -28.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 24.535 -20.740 -27.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 24.245 -21.687 -28.580 1.00 0.00 H new ATOM 377 N LYS A 281 22.455 -26.868 -22.517 1.00 0.00 N ATOM 378 CA LYS A 281 23.238 -27.957 -21.856 1.00 0.00 C ATOM 379 C LYS A 281 22.997 -29.268 -22.594 1.00 0.00 C ATOM 380 O LYS A 281 21.877 -29.545 -23.035 1.00 0.00 O ATOM 381 CB LYS A 281 22.813 -28.104 -20.390 1.00 0.00 C ATOM 382 CG LYS A 281 23.247 -26.869 -19.592 1.00 0.00 C ATOM 383 CD LYS A 281 24.755 -26.928 -19.317 1.00 0.00 C ATOM 384 CE LYS A 281 25.165 -25.737 -18.449 1.00 0.00 C ATOM 385 NZ LYS A 281 24.700 -25.957 -17.050 1.00 0.00 N ATOM 0 H LYS A 281 21.519 -27.138 -22.819 1.00 0.00 H new ATOM 0 HA LYS A 281 24.298 -27.705 -21.889 1.00 0.00 H new ATOM 0 HB2 LYS A 281 21.732 -28.227 -20.327 1.00 0.00 H new ATOM 0 HB3 LYS A 281 23.261 -29.000 -19.961 1.00 0.00 H new ATOM 0 HG2 LYS A 281 23.005 -25.963 -20.148 1.00 0.00 H new ATOM 0 HG3 LYS A 281 22.699 -26.822 -18.651 1.00 0.00 H new ATOM 0 HD2 LYS A 281 25.007 -27.862 -18.814 1.00 0.00 H new ATOM 0 HD3 LYS A 281 25.307 -26.913 -20.257 1.00 0.00 H new ATOM 0 HE2 LYS A 281 26.248 -25.615 -18.468 1.00 0.00 H new ATOM 0 HE3 LYS A 281 24.734 -24.818 -18.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 25.185 -25.292 -16.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 23.673 -25.801 -16.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 24.917 -26.932 -16.761 1.00 0.00 H new ATOM 399 N GLN A 282 24.025 -30.077 -22.736 1.00 0.00 N ATOM 400 CA GLN A 282 23.883 -31.389 -23.448 1.00 0.00 C ATOM 401 C GLN A 282 24.630 -32.470 -22.670 1.00 0.00 C ATOM 402 O GLN A 282 25.727 -32.230 -22.154 1.00 0.00 O ATOM 403 CB GLN A 282 24.437 -31.291 -24.881 1.00 0.00 C ATOM 404 CG GLN A 282 25.897 -30.819 -24.864 1.00 0.00 C ATOM 405 CD GLN A 282 26.413 -30.664 -26.291 1.00 0.00 C ATOM 406 OE1 GLN A 282 26.585 -31.656 -27.001 1.00 0.00 O ATOM 407 NE2 GLN A 282 26.676 -29.474 -26.754 1.00 0.00 N ATOM 0 H GLN A 282 24.963 -29.881 -22.386 1.00 0.00 H new ATOM 0 HA GLN A 282 22.826 -31.647 -23.508 1.00 0.00 H new ATOM 0 HB2 GLN A 282 24.369 -32.263 -25.370 1.00 0.00 H new ATOM 0 HB3 GLN A 282 23.832 -30.597 -25.464 1.00 0.00 H new ATOM 0 HG2 GLN A 282 25.974 -29.869 -24.336 1.00 0.00 H new ATOM 0 HG3 GLN A 282 26.513 -31.536 -24.322 1.00 0.00 H new ATOM 0 HE21 GLN A 282 26.533 -28.654 -26.164 1.00 0.00 H new ATOM 0 HE22 GLN A 282 27.025 -29.363 -27.706 1.00 0.00 H new ATOM 416 N SER A 283 24.056 -33.649 -22.578 1.00 0.00 N ATOM 417 CA SER A 283 24.713 -34.769 -21.839 1.00 0.00 C ATOM 418 C SER A 283 24.610 -36.044 -22.671 1.00 0.00 C ATOM 419 O SER A 283 24.033 -36.032 -23.764 1.00 0.00 O ATOM 420 CB SER A 283 24.033 -34.977 -20.484 1.00 0.00 C ATOM 421 OG SER A 283 24.267 -33.840 -19.663 1.00 0.00 O ATOM 0 H SER A 283 23.152 -33.881 -22.989 1.00 0.00 H new ATOM 0 HA SER A 283 25.762 -34.525 -21.669 1.00 0.00 H new ATOM 0 HB2 SER A 283 22.962 -35.127 -20.621 1.00 0.00 H new ATOM 0 HB3 SER A 283 24.422 -35.874 -20.003 1.00 0.00 H new ATOM 0 HG SER A 283 23.832 -33.968 -18.794 1.00 0.00 H new ATOM 427 N ASP A 284 25.157 -37.136 -22.179 1.00 0.00 N ATOM 428 CA ASP A 284 25.102 -38.432 -22.931 1.00 0.00 C ATOM 429 C ASP A 284 25.732 -38.239 -24.310 1.00 0.00 C ATOM 430 O ASP A 284 26.255 -37.161 -24.612 1.00 0.00 O ATOM 431 CB ASP A 284 23.648 -38.898 -23.074 1.00 0.00 C ATOM 432 CG ASP A 284 22.987 -38.976 -21.701 1.00 0.00 C ATOM 433 OD1 ASP A 284 22.830 -40.079 -21.204 1.00 0.00 O ATOM 434 OD2 ASP A 284 22.650 -37.932 -21.168 1.00 0.00 O ATOM 0 H ASP A 284 25.642 -37.183 -21.283 1.00 0.00 H new ATOM 0 HA ASP A 284 25.656 -39.194 -22.383 1.00 0.00 H new ATOM 0 HB2 ASP A 284 23.097 -38.208 -23.713 1.00 0.00 H new ATOM 0 HB3 ASP A 284 23.616 -39.874 -23.558 1.00 0.00 H new ATOM 439 N THR A 285 25.694 -39.257 -25.146 1.00 0.00 N ATOM 440 CA THR A 285 26.289 -39.150 -26.515 1.00 0.00 C ATOM 441 C THR A 285 25.642 -37.986 -27.256 1.00 0.00 C ATOM 442 O THR A 285 24.661 -37.405 -26.780 1.00 0.00 O ATOM 443 CB THR A 285 26.060 -40.450 -27.291 1.00 0.00 C ATOM 444 OG1 THR A 285 24.686 -40.803 -27.221 1.00 0.00 O ATOM 445 CG2 THR A 285 26.909 -41.567 -26.681 1.00 0.00 C ATOM 0 H THR A 285 25.273 -40.161 -24.933 1.00 0.00 H new ATOM 0 HA THR A 285 27.362 -38.977 -26.429 1.00 0.00 H new ATOM 0 HB THR A 285 26.347 -40.309 -28.333 1.00 0.00 H new ATOM 0 HG1 THR A 285 24.536 -41.634 -27.718 1.00 0.00 H new ATOM 0 HG21 THR A 285 26.745 -42.492 -27.234 1.00 0.00 H new ATOM 0 HG22 THR A 285 27.963 -41.294 -26.735 1.00 0.00 H new ATOM 0 HG23 THR A 285 26.625 -41.712 -25.639 1.00 0.00 H new