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 -170:sc= 0 (180deg=-0.0794) USER MOD Single : A 267 MET CE :methyl -163:sc= -0.0279 (180deg=-0.32) USER MOD Single : A 270 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0988) USER MOD Single : A 271 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 272 CYS SG : rot 180:sc= 0 USER MOD Single : A 275 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 277 THR OG1 : rot 180:sc= 0 USER MOD Single : A 278 ASN : amide:sc= -0.022 K(o=-0.022,f=-1.1) USER MOD Single : A 279 SER OG : rot -130:sc= -0.577 USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 281 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 282 GLN : amide:sc= 0 X(o=0,f=0) 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 -11.650 -19.887 4.359 1.00 0.00 N ATOM 11 CA PRO A 259 -10.471 -19.328 5.094 1.00 0.00 C ATOM 12 C PRO A 259 -9.189 -20.125 4.823 1.00 0.00 C ATOM 13 O PRO A 259 -8.091 -19.675 5.164 1.00 0.00 O ATOM 14 CB PRO A 259 -10.895 -19.434 6.563 1.00 0.00 C ATOM 15 CG PRO A 259 -12.260 -20.124 6.643 1.00 0.00 C ATOM 16 CD PRO A 259 -12.779 -20.369 5.224 1.00 0.00 C ATOM 0 HA PRO A 259 -10.230 -18.311 4.786 1.00 0.00 H new ATOM 0 HB2 PRO A 259 -10.154 -20.000 7.128 1.00 0.00 H new ATOM 0 HB3 PRO A 259 -10.948 -18.442 7.011 1.00 0.00 H new ATOM 0 HG2 PRO A 259 -12.173 -21.068 7.180 1.00 0.00 H new ATOM 0 HG3 PRO A 259 -12.963 -19.504 7.199 1.00 0.00 H new ATOM 0 HD2 PRO A 259 -12.997 -21.423 5.051 1.00 0.00 H new ATOM 0 HD3 PRO A 259 -13.699 -19.817 5.031 1.00 0.00 H new ATOM 24 N ARG A 260 -9.317 -21.297 4.233 1.00 0.00 N ATOM 25 CA ARG A 260 -8.134 -22.149 3.936 1.00 0.00 C ATOM 26 C ARG A 260 -7.218 -21.440 2.902 1.00 0.00 C ATOM 27 O ARG A 260 -7.007 -20.227 2.995 1.00 0.00 O ATOM 28 CB ARG A 260 -8.627 -23.547 3.474 1.00 0.00 C ATOM 29 CG ARG A 260 -9.296 -23.501 2.073 1.00 0.00 C ATOM 30 CD ARG A 260 -10.829 -23.496 2.191 1.00 0.00 C ATOM 31 NE ARG A 260 -11.454 -23.541 0.826 1.00 0.00 N ATOM 32 CZ ARG A 260 -12.726 -23.865 0.644 1.00 0.00 C ATOM 33 NH1 ARG A 260 -13.210 -23.883 -0.568 1.00 0.00 N ATOM 34 NH2 ARG A 260 -13.516 -24.167 1.651 1.00 0.00 N ATOM 0 H ARG A 260 -10.210 -21.697 3.944 1.00 0.00 H new ATOM 0 HA ARG A 260 -7.524 -22.299 4.827 1.00 0.00 H new ATOM 0 HB2 ARG A 260 -7.784 -24.238 3.449 1.00 0.00 H new ATOM 0 HB3 ARG A 260 -9.338 -23.938 4.202 1.00 0.00 H new ATOM 0 HG2 ARG A 260 -8.967 -22.610 1.538 1.00 0.00 H new ATOM 0 HG3 ARG A 260 -8.976 -24.362 1.486 1.00 0.00 H new ATOM 0 HD2 ARG A 260 -11.159 -24.353 2.778 1.00 0.00 H new ATOM 0 HD3 ARG A 260 -11.157 -22.601 2.720 1.00 0.00 H new ATOM 0 HE ARG A 260 -10.881 -23.315 0.013 1.00 0.00 H new ATOM 0 HH11 ARG A 260 -12.611 -23.650 -1.360 1.00 0.00 H new ATOM 0 HH12 ARG A 260 -14.187 -24.131 -0.723 1.00 0.00 H new ATOM 0 HH21 ARG A 260 -13.154 -24.156 2.604 1.00 0.00 H new ATOM 0 HH22 ARG A 260 -14.491 -24.412 1.479 1.00 0.00 H new ATOM 48 N LEU A 261 -6.652 -22.160 1.948 1.00 0.00 N ATOM 49 CA LEU A 261 -5.731 -21.542 0.938 1.00 0.00 C ATOM 50 C LEU A 261 -5.878 -22.285 -0.382 1.00 0.00 C ATOM 51 O LEU A 261 -6.469 -23.368 -0.420 1.00 0.00 O ATOM 52 CB LEU A 261 -4.254 -21.584 1.449 1.00 0.00 C ATOM 53 CG LEU A 261 -3.624 -23.015 1.542 1.00 0.00 C ATOM 54 CD1 LEU A 261 -4.557 -24.019 2.231 1.00 0.00 C ATOM 55 CD2 LEU A 261 -3.218 -23.528 0.151 1.00 0.00 C ATOM 0 H LEU A 261 -6.795 -23.163 1.830 1.00 0.00 H new ATOM 0 HA LEU A 261 -5.995 -20.495 0.788 1.00 0.00 H new ATOM 0 HB2 LEU A 261 -3.639 -20.976 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 261 -4.214 -21.121 2.435 1.00 0.00 H new ATOM 0 HG LEU A 261 -2.730 -22.926 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 261 -4.075 -24.996 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 261 -4.773 -23.679 3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 261 -5.487 -24.096 1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 261 -2.783 -24.523 0.243 1.00 0.00 H new ATOM 0 HD22 LEU A 261 -4.098 -23.574 -0.491 1.00 0.00 H new ATOM 0 HD23 LEU A 261 -2.485 -22.851 -0.287 1.00 0.00 H new ATOM 67 N ARG A 262 -5.346 -21.737 -1.457 1.00 0.00 N ATOM 68 CA ARG A 262 -5.441 -22.425 -2.785 1.00 0.00 C ATOM 69 C ARG A 262 -4.036 -22.609 -3.346 1.00 0.00 C ATOM 70 O ARG A 262 -3.051 -22.283 -2.682 1.00 0.00 O ATOM 71 CB ARG A 262 -6.337 -21.634 -3.755 1.00 0.00 C ATOM 72 CG ARG A 262 -7.832 -21.887 -3.409 1.00 0.00 C ATOM 73 CD ARG A 262 -8.643 -22.250 -4.661 1.00 0.00 C ATOM 74 NE ARG A 262 -9.882 -22.996 -4.257 1.00 0.00 N ATOM 75 CZ ARG A 262 -10.896 -23.187 -5.096 1.00 0.00 C ATOM 76 NH1 ARG A 262 -11.953 -23.832 -4.683 1.00 0.00 N ATOM 77 NH2 ARG A 262 -10.864 -22.747 -6.336 1.00 0.00 N ATOM 0 H ARG A 262 -4.852 -20.845 -1.468 1.00 0.00 H new ATOM 0 HA ARG A 262 -5.904 -23.403 -2.656 1.00 0.00 H new ATOM 0 HB2 ARG A 262 -6.113 -20.569 -3.687 1.00 0.00 H new ATOM 0 HB3 ARG A 262 -6.135 -21.937 -4.782 1.00 0.00 H new ATOM 0 HG2 ARG A 262 -7.907 -22.693 -2.679 1.00 0.00 H new ATOM 0 HG3 ARG A 262 -8.255 -20.996 -2.945 1.00 0.00 H new ATOM 0 HD2 ARG A 262 -8.912 -21.346 -5.208 1.00 0.00 H new ATOM 0 HD3 ARG A 262 -8.041 -22.861 -5.333 1.00 0.00 H new ATOM 0 HE ARG A 262 -9.948 -23.368 -3.309 1.00 0.00 H new ATOM 0 HH11 ARG A 262 -11.995 -24.183 -3.726 1.00 0.00 H new ATOM 0 HH12 ARG A 262 -12.737 -23.985 -5.317 1.00 0.00 H new ATOM 0 HH21 ARG A 262 -10.045 -22.244 -6.678 1.00 0.00 H new ATOM 0 HH22 ARG A 262 -11.658 -22.909 -6.955 1.00 0.00 H new ATOM 91 N LYS A 263 -3.926 -23.148 -4.537 1.00 0.00 N ATOM 92 CA LYS A 263 -2.586 -23.407 -5.156 1.00 0.00 C ATOM 93 C LYS A 263 -1.705 -22.162 -5.052 1.00 0.00 C ATOM 94 O LYS A 263 -2.208 -21.044 -4.888 1.00 0.00 O ATOM 95 CB LYS A 263 -2.766 -23.853 -6.619 1.00 0.00 C ATOM 96 CG LYS A 263 -3.431 -22.741 -7.460 1.00 0.00 C ATOM 97 CD LYS A 263 -4.392 -23.345 -8.499 1.00 0.00 C ATOM 98 CE LYS A 263 -5.745 -23.644 -7.842 1.00 0.00 C ATOM 99 NZ LYS A 263 -6.540 -24.545 -8.726 1.00 0.00 N ATOM 0 H LYS A 263 -4.720 -23.424 -5.115 1.00 0.00 H new ATOM 0 HA LYS A 263 -2.085 -24.211 -4.616 1.00 0.00 H new ATOM 0 HB2 LYS A 263 -1.796 -24.107 -7.047 1.00 0.00 H new ATOM 0 HB3 LYS A 263 -3.376 -24.755 -6.655 1.00 0.00 H new ATOM 0 HG2 LYS A 263 -3.976 -22.060 -6.806 1.00 0.00 H new ATOM 0 HG3 LYS A 263 -2.665 -22.153 -7.965 1.00 0.00 H new ATOM 0 HD2 LYS A 263 -4.526 -22.652 -9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 263 -3.968 -24.260 -8.912 1.00 0.00 H new ATOM 0 HE2 LYS A 263 -5.593 -24.113 -6.870 1.00 0.00 H new ATOM 0 HE3 LYS A 263 -6.289 -22.716 -7.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 263 -7.458 -24.748 -8.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 263 -6.696 -24.082 -9.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 263 -6.022 -25.435 -8.871 1.00 0.00 H new ATOM 113 N GLY A 264 -0.410 -22.348 -5.114 1.00 0.00 N ATOM 114 CA GLY A 264 0.543 -21.206 -4.992 1.00 0.00 C ATOM 115 C GLY A 264 1.486 -21.447 -3.808 1.00 0.00 C ATOM 116 O GLY A 264 2.043 -20.493 -3.254 1.00 0.00 O ATOM 0 H GLY A 264 0.032 -23.258 -5.246 1.00 0.00 H new ATOM 0 HA2 GLY A 264 1.118 -21.099 -5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 264 -0.006 -20.275 -4.849 1.00 0.00 H new ATOM 120 N ARG A 265 1.676 -22.695 -3.409 1.00 0.00 N ATOM 121 CA ARG A 265 2.583 -23.003 -2.261 1.00 0.00 C ATOM 122 C ARG A 265 3.993 -22.533 -2.592 1.00 0.00 C ATOM 123 O ARG A 265 4.251 -22.057 -3.703 1.00 0.00 O ATOM 124 CB ARG A 265 2.601 -24.507 -1.995 1.00 0.00 C ATOM 125 CG ARG A 265 1.262 -24.930 -1.399 1.00 0.00 C ATOM 126 CD ARG A 265 1.288 -26.430 -1.119 1.00 0.00 C ATOM 127 NE ARG A 265 0.037 -26.836 -0.405 1.00 0.00 N ATOM 128 CZ ARG A 265 -0.322 -28.105 -0.281 1.00 0.00 C ATOM 129 NH1 ARG A 265 -1.423 -28.391 0.355 1.00 0.00 N ATOM 130 NH2 ARG A 265 0.401 -29.084 -0.783 1.00 0.00 N ATOM 0 H ARG A 265 1.236 -23.510 -3.837 1.00 0.00 H new ATOM 0 HA ARG A 265 2.220 -22.488 -1.372 1.00 0.00 H new ATOM 0 HB2 ARG A 265 2.787 -25.050 -2.922 1.00 0.00 H new ATOM 0 HB3 ARG A 265 3.412 -24.757 -1.311 1.00 0.00 H new ATOM 0 HG2 ARG A 265 1.070 -24.379 -0.478 1.00 0.00 H new ATOM 0 HG3 ARG A 265 0.452 -24.691 -2.088 1.00 0.00 H new ATOM 0 HD2 ARG A 265 1.379 -26.982 -2.055 1.00 0.00 H new ATOM 0 HD3 ARG A 265 2.160 -26.681 -0.515 1.00 0.00 H new ATOM 0 HE ARG A 265 -0.558 -26.113 -0.001 1.00 0.00 H new ATOM 0 HH11 ARG A 265 -1.994 -27.643 0.748 1.00 0.00 H new ATOM 0 HH12 ARG A 265 -1.714 -29.363 0.459 1.00 0.00 H new ATOM 0 HH21 ARG A 265 1.264 -28.875 -1.284 1.00 0.00 H new ATOM 0 HH22 ARG A 265 0.098 -30.051 -0.671 1.00 0.00 H new ATOM 144 N MET A 266 4.903 -22.657 -1.652 1.00 0.00 N ATOM 145 CA MET A 266 6.314 -22.220 -1.887 1.00 0.00 C ATOM 146 C MET A 266 6.927 -23.049 -3.007 1.00 0.00 C ATOM 147 O MET A 266 6.686 -24.256 -3.111 1.00 0.00 O ATOM 148 CB MET A 266 7.154 -22.388 -0.611 1.00 0.00 C ATOM 149 CG MET A 266 6.988 -21.168 0.325 1.00 0.00 C ATOM 150 SD MET A 266 8.605 -20.432 0.686 1.00 0.00 S ATOM 151 CE MET A 266 9.242 -21.770 1.724 1.00 0.00 C ATOM 0 H MET A 266 4.724 -23.046 -0.726 1.00 0.00 H new ATOM 0 HA MET A 266 6.307 -21.167 -2.167 1.00 0.00 H new ATOM 0 HB2 MET A 266 6.851 -23.296 -0.089 1.00 0.00 H new ATOM 0 HB3 MET A 266 8.205 -22.508 -0.876 1.00 0.00 H new ATOM 0 HG2 MET A 266 6.339 -20.427 -0.142 1.00 0.00 H new ATOM 0 HG3 MET A 266 6.505 -21.475 1.253 1.00 0.00 H new ATOM 0 HE1 MET A 266 10.166 -21.449 2.205 1.00 0.00 H new ATOM 0 HE2 MET A 266 8.504 -22.022 2.486 1.00 0.00 H new ATOM 0 HE3 MET A 266 9.440 -22.646 1.107 1.00 0.00 H new ATOM 161 N MET A 267 7.718 -22.412 -3.835 1.00 0.00 N ATOM 162 CA MET A 267 8.391 -23.121 -4.970 1.00 0.00 C ATOM 163 C MET A 267 9.894 -22.800 -4.894 1.00 0.00 C ATOM 164 O MET A 267 10.407 -22.551 -3.797 1.00 0.00 O ATOM 165 CB MET A 267 7.782 -22.665 -6.312 1.00 0.00 C ATOM 166 CG MET A 267 6.269 -22.909 -6.323 1.00 0.00 C ATOM 167 SD MET A 267 5.566 -22.256 -7.857 1.00 0.00 S ATOM 168 CE MET A 267 5.519 -20.516 -7.360 1.00 0.00 C ATOM 0 H MET A 267 7.929 -21.416 -3.772 1.00 0.00 H new ATOM 0 HA MET A 267 8.245 -24.199 -4.901 1.00 0.00 H new ATOM 0 HB2 MET A 267 7.987 -21.606 -6.471 1.00 0.00 H new ATOM 0 HB3 MET A 267 8.250 -23.207 -7.134 1.00 0.00 H new ATOM 0 HG2 MET A 267 6.061 -23.976 -6.240 1.00 0.00 H new ATOM 0 HG3 MET A 267 5.805 -22.426 -5.463 1.00 0.00 H new ATOM 0 HE1 MET A 267 4.851 -19.966 -8.023 1.00 0.00 H new ATOM 0 HE2 MET A 267 5.156 -20.440 -6.335 1.00 0.00 H new ATOM 0 HE3 MET A 267 6.521 -20.093 -7.422 1.00 0.00 H new ATOM 178 N ASP A 268 10.607 -22.787 -6.011 1.00 0.00 N ATOM 179 CA ASP A 268 12.068 -22.463 -5.979 1.00 0.00 C ATOM 180 C ASP A 268 12.226 -20.992 -5.593 1.00 0.00 C ATOM 181 O ASP A 268 12.326 -20.112 -6.459 1.00 0.00 O ATOM 182 CB ASP A 268 12.708 -22.724 -7.350 1.00 0.00 C ATOM 183 CG ASP A 268 12.383 -24.137 -7.822 1.00 0.00 C ATOM 184 OD1 ASP A 268 11.249 -24.364 -8.215 1.00 0.00 O ATOM 185 OD2 ASP A 268 13.271 -24.972 -7.786 1.00 0.00 O ATOM 0 H ASP A 268 10.232 -22.988 -6.938 1.00 0.00 H new ATOM 0 HA ASP A 268 12.571 -23.098 -5.249 1.00 0.00 H new ATOM 0 HB2 ASP A 268 12.341 -21.997 -8.075 1.00 0.00 H new ATOM 0 HB3 ASP A 268 13.788 -22.593 -7.286 1.00 0.00 H new ATOM 190 N VAL A 269 12.231 -20.710 -4.308 1.00 0.00 N ATOM 191 CA VAL A 269 12.365 -19.300 -3.830 1.00 0.00 C ATOM 192 C VAL A 269 13.792 -19.075 -3.328 1.00 0.00 C ATOM 193 O VAL A 269 14.416 -18.057 -3.644 1.00 0.00 O ATOM 194 CB VAL A 269 11.334 -19.010 -2.720 1.00 0.00 C ATOM 195 CG1 VAL A 269 9.919 -19.228 -3.266 1.00 0.00 C ATOM 196 CG2 VAL A 269 11.550 -19.944 -1.523 1.00 0.00 C ATOM 0 H VAL A 269 12.147 -21.406 -3.567 1.00 0.00 H new ATOM 0 HA VAL A 269 12.167 -18.613 -4.653 1.00 0.00 H new ATOM 0 HB VAL A 269 11.460 -17.977 -2.395 1.00 0.00 H new ATOM 0 HG11 VAL A 269 9.191 -19.023 -2.481 1.00 0.00 H new ATOM 0 HG12 VAL A 269 9.746 -18.556 -4.106 1.00 0.00 H new ATOM 0 HG13 VAL A 269 9.813 -20.260 -3.599 1.00 0.00 H new ATOM 0 HG21 VAL A 269 10.813 -19.723 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 269 11.439 -20.979 -1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 269 12.552 -19.794 -1.121 1.00 0.00 H new ATOM 206 N LYS A 270 14.316 -20.011 -2.567 1.00 0.00 N ATOM 207 CA LYS A 270 15.717 -19.882 -2.039 1.00 0.00 C ATOM 208 C LYS A 270 16.736 -20.245 -3.131 1.00 0.00 C ATOM 209 O LYS A 270 17.943 -20.075 -2.932 1.00 0.00 O ATOM 210 CB LYS A 270 15.921 -20.811 -0.838 1.00 0.00 C ATOM 211 CG LYS A 270 14.968 -20.414 0.292 1.00 0.00 C ATOM 212 CD LYS A 270 15.344 -21.173 1.566 1.00 0.00 C ATOM 213 CE LYS A 270 14.369 -20.805 2.688 1.00 0.00 C ATOM 214 NZ LYS A 270 13.067 -21.490 2.455 1.00 0.00 N ATOM 0 H LYS A 270 13.831 -20.864 -2.287 1.00 0.00 H new ATOM 0 HA LYS A 270 15.869 -18.848 -1.730 1.00 0.00 H new ATOM 0 HB2 LYS A 270 15.741 -21.845 -1.132 1.00 0.00 H new ATOM 0 HB3 LYS A 270 16.953 -20.753 -0.493 1.00 0.00 H new ATOM 0 HG2 LYS A 270 15.022 -19.339 0.467 1.00 0.00 H new ATOM 0 HG3 LYS A 270 13.939 -20.640 0.011 1.00 0.00 H new ATOM 0 HD2 LYS A 270 15.316 -22.247 1.383 1.00 0.00 H new ATOM 0 HD3 LYS A 270 16.364 -20.926 1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 270 14.780 -21.100 3.654 1.00 0.00 H new ATOM 0 HE3 LYS A 270 14.224 -19.725 2.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 270 12.469 -21.396 3.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 270 12.587 -21.055 1.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 270 13.235 -22.498 2.260 1.00 0.00 H new ATOM 228 N LYS A 271 16.282 -20.743 -4.267 1.00 0.00 N ATOM 229 CA LYS A 271 17.212 -21.127 -5.371 1.00 0.00 C ATOM 230 C LYS A 271 17.734 -19.874 -6.060 1.00 0.00 C ATOM 231 O LYS A 271 17.166 -18.788 -5.909 1.00 0.00 O ATOM 232 CB LYS A 271 16.473 -21.994 -6.397 1.00 0.00 C ATOM 233 CG LYS A 271 16.390 -23.449 -5.908 1.00 0.00 C ATOM 234 CD LYS A 271 17.729 -24.162 -6.146 1.00 0.00 C ATOM 235 CE LYS A 271 17.864 -24.536 -7.626 1.00 0.00 C ATOM 236 NZ LYS A 271 19.164 -25.232 -7.844 1.00 0.00 N ATOM 0 H LYS A 271 15.295 -20.898 -4.470 1.00 0.00 H new ATOM 0 HA LYS A 271 18.046 -21.690 -4.952 1.00 0.00 H new ATOM 0 HB2 LYS A 271 15.470 -21.601 -6.560 1.00 0.00 H new ATOM 0 HB3 LYS A 271 16.990 -21.955 -7.356 1.00 0.00 H new ATOM 0 HG2 LYS A 271 16.141 -23.471 -4.847 1.00 0.00 H new ATOM 0 HG3 LYS A 271 15.592 -23.973 -6.434 1.00 0.00 H new ATOM 0 HD2 LYS A 271 18.554 -23.514 -5.849 1.00 0.00 H new ATOM 0 HD3 LYS A 271 17.789 -25.058 -5.528 1.00 0.00 H new ATOM 0 HE2 LYS A 271 17.039 -25.181 -7.926 1.00 0.00 H new ATOM 0 HE3 LYS A 271 17.810 -23.641 -8.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 271 19.257 -25.487 -8.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 271 19.945 -24.601 -7.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 271 19.198 -26.094 -7.264 1.00 0.00 H new ATOM 250 N CYS A 272 18.793 -20.015 -6.823 1.00 0.00 N ATOM 251 CA CYS A 272 19.373 -18.852 -7.561 1.00 0.00 C ATOM 252 C CYS A 272 18.365 -18.355 -8.597 1.00 0.00 C ATOM 253 O CYS A 272 18.389 -17.178 -8.978 1.00 0.00 O ATOM 254 CB CYS A 272 20.669 -19.271 -8.266 1.00 0.00 C ATOM 255 SG CYS A 272 21.813 -17.870 -8.315 1.00 0.00 S ATOM 0 H CYS A 272 19.284 -20.898 -6.966 1.00 0.00 H new ATOM 0 HA CYS A 272 19.596 -18.053 -6.853 1.00 0.00 H new ATOM 0 HB2 CYS A 272 21.127 -20.109 -7.740 1.00 0.00 H new ATOM 0 HB3 CYS A 272 20.451 -19.611 -9.278 1.00 0.00 H new ATOM 0 HG CYS A 272 22.912 -18.227 -8.911 1.00 0.00 H new ATOM 261 N GLY A 273 17.491 -19.225 -9.069 1.00 0.00 N ATOM 262 CA GLY A 273 16.484 -18.817 -10.094 1.00 0.00 C ATOM 263 C GLY A 273 17.105 -18.985 -11.470 1.00 0.00 C ATOM 264 O GLY A 273 17.403 -18.005 -12.159 1.00 0.00 O ATOM 0 H GLY A 273 17.438 -20.202 -8.782 1.00 0.00 H new ATOM 0 HA2 GLY A 273 15.585 -19.427 -10.007 1.00 0.00 H new ATOM 0 HA3 GLY A 273 16.182 -17.781 -9.938 1.00 0.00 H new ATOM 268 N ILE A 274 17.316 -20.215 -11.868 1.00 0.00 N ATOM 269 CA ILE A 274 17.938 -20.513 -13.198 1.00 0.00 C ATOM 270 C ILE A 274 17.106 -19.848 -14.293 1.00 0.00 C ATOM 271 O ILE A 274 15.875 -19.797 -14.203 1.00 0.00 O ATOM 272 CB ILE A 274 18.001 -22.037 -13.439 1.00 0.00 C ATOM 273 CG1 ILE A 274 18.648 -22.772 -12.224 1.00 0.00 C ATOM 274 CG2 ILE A 274 18.791 -22.333 -14.723 1.00 0.00 C ATOM 275 CD1 ILE A 274 20.112 -22.344 -11.968 1.00 0.00 C ATOM 0 H ILE A 274 17.079 -21.041 -11.318 1.00 0.00 H new ATOM 0 HA ILE A 274 18.956 -20.123 -13.214 1.00 0.00 H new ATOM 0 HB ILE A 274 16.982 -22.408 -13.552 1.00 0.00 H new ATOM 0 HG12 ILE A 274 18.056 -22.575 -11.330 1.00 0.00 H new ATOM 0 HG13 ILE A 274 18.615 -23.848 -12.398 1.00 0.00 H new ATOM 0 HG21 ILE A 274 18.831 -23.410 -14.886 1.00 0.00 H new ATOM 0 HG22 ILE A 274 18.299 -21.856 -15.571 1.00 0.00 H new ATOM 0 HG23 ILE A 274 19.804 -21.943 -14.625 1.00 0.00 H new ATOM 0 HD11 ILE A 274 20.506 -22.890 -11.111 1.00 0.00 H new ATOM 0 HD12 ILE A 274 20.715 -22.566 -12.848 1.00 0.00 H new ATOM 0 HD13 ILE A 274 20.148 -21.274 -11.764 1.00 0.00 H new ATOM 287 N GLN A 275 17.757 -19.338 -15.315 1.00 0.00 N ATOM 288 CA GLN A 275 17.028 -18.661 -16.432 1.00 0.00 C ATOM 289 C GLN A 275 17.182 -19.483 -17.708 1.00 0.00 C ATOM 290 O GLN A 275 17.881 -20.502 -17.717 1.00 0.00 O ATOM 291 CB GLN A 275 17.591 -17.256 -16.648 1.00 0.00 C ATOM 292 CG GLN A 275 17.281 -16.392 -15.425 1.00 0.00 C ATOM 293 CD GLN A 275 17.908 -15.013 -15.587 1.00 0.00 C ATOM 294 OE1 GLN A 275 17.853 -14.427 -16.667 1.00 0.00 O ATOM 295 NE2 GLN A 275 18.505 -14.455 -14.569 1.00 0.00 N ATOM 0 H GLN A 275 18.771 -19.364 -15.421 1.00 0.00 H new ATOM 0 HA GLN A 275 15.971 -18.581 -16.177 1.00 0.00 H new ATOM 0 HB2 GLN A 275 18.668 -17.304 -16.809 1.00 0.00 H new ATOM 0 HB3 GLN A 275 17.154 -16.811 -17.542 1.00 0.00 H new ATOM 0 HG2 GLN A 275 16.202 -16.297 -15.301 1.00 0.00 H new ATOM 0 HG3 GLN A 275 17.665 -16.871 -14.524 1.00 0.00 H new ATOM 0 HE21 GLN A 275 18.550 -14.942 -13.674 1.00 0.00 H new ATOM 0 HE22 GLN A 275 18.927 -13.532 -14.668 1.00 0.00 H new ATOM 304 N ASP A 276 16.540 -19.062 -18.775 1.00 0.00 N ATOM 305 CA ASP A 276 16.628 -19.806 -20.071 1.00 0.00 C ATOM 306 C ASP A 276 17.259 -18.895 -21.133 1.00 0.00 C ATOM 307 O ASP A 276 16.739 -18.750 -22.248 1.00 0.00 O ATOM 308 CB ASP A 276 15.225 -20.260 -20.500 1.00 0.00 C ATOM 309 CG ASP A 276 14.598 -21.113 -19.403 1.00 0.00 C ATOM 310 OD1 ASP A 276 15.269 -22.010 -18.920 1.00 0.00 O ATOM 311 OD2 ASP A 276 13.454 -20.857 -19.062 1.00 0.00 O ATOM 0 H ASP A 276 15.954 -18.227 -18.801 1.00 0.00 H new ATOM 0 HA ASP A 276 17.253 -20.691 -19.954 1.00 0.00 H new ATOM 0 HB2 ASP A 276 14.598 -19.391 -20.701 1.00 0.00 H new ATOM 0 HB3 ASP A 276 15.285 -20.831 -21.427 1.00 0.00 H new ATOM 316 N THR A 277 18.376 -18.283 -20.802 1.00 0.00 N ATOM 317 CA THR A 277 19.072 -17.376 -21.768 1.00 0.00 C ATOM 318 C THR A 277 19.890 -18.213 -22.752 1.00 0.00 C ATOM 319 O THR A 277 19.601 -18.224 -23.953 1.00 0.00 O ATOM 320 CB THR A 277 19.984 -16.406 -21.015 1.00 0.00 C ATOM 321 OG1 THR A 277 19.318 -15.935 -19.850 1.00 0.00 O ATOM 322 CG2 THR A 277 20.343 -15.218 -21.914 1.00 0.00 C ATOM 0 H THR A 277 18.836 -18.376 -19.896 1.00 0.00 H new ATOM 0 HA THR A 277 18.330 -16.798 -22.318 1.00 0.00 H new ATOM 0 HB THR A 277 20.898 -16.926 -20.729 1.00 0.00 H new ATOM 0 HG1 THR A 277 19.903 -15.315 -19.367 1.00 0.00 H new ATOM 0 HG21 THR A 277 20.993 -14.533 -21.369 1.00 0.00 H new ATOM 0 HG22 THR A 277 20.860 -15.578 -22.804 1.00 0.00 H new ATOM 0 HG23 THR A 277 19.432 -14.697 -22.209 1.00 0.00 H new ATOM 330 N ASN A 278 20.904 -18.907 -22.273 1.00 0.00 N ATOM 331 CA ASN A 278 21.755 -19.750 -23.172 1.00 0.00 C ATOM 332 C ASN A 278 21.824 -21.177 -22.612 1.00 0.00 C ATOM 333 O ASN A 278 22.907 -21.771 -22.498 1.00 0.00 O ATOM 334 CB ASN A 278 23.161 -19.137 -23.287 1.00 0.00 C ATOM 335 CG ASN A 278 23.104 -17.816 -24.051 1.00 0.00 C ATOM 336 OD1 ASN A 278 22.298 -17.658 -24.971 1.00 0.00 O ATOM 337 ND2 ASN A 278 23.920 -16.851 -23.727 1.00 0.00 N ATOM 0 H ASN A 278 21.176 -18.922 -21.290 1.00 0.00 H new ATOM 0 HA ASN A 278 21.317 -19.785 -24.170 1.00 0.00 H new ATOM 0 HB2 ASN A 278 23.575 -18.972 -22.292 1.00 0.00 H new ATOM 0 HB3 ASN A 278 23.827 -19.832 -23.798 1.00 0.00 H new ATOM 0 HD21 ASN A 278 23.891 -15.967 -24.234 1.00 0.00 H new ATOM 0 HD22 ASN A 278 24.587 -16.981 -22.966 1.00 0.00 H new ATOM 344 N SER A 279 20.687 -21.735 -22.259 1.00 0.00 N ATOM 345 CA SER A 279 20.653 -23.123 -21.697 1.00 0.00 C ATOM 346 C SER A 279 21.240 -24.101 -22.710 1.00 0.00 C ATOM 347 O SER A 279 20.730 -24.232 -23.828 1.00 0.00 O ATOM 348 CB SER A 279 19.214 -23.526 -21.373 1.00 0.00 C ATOM 349 OG SER A 279 18.521 -22.405 -20.842 1.00 0.00 O ATOM 0 H SER A 279 19.776 -21.283 -22.338 1.00 0.00 H new ATOM 0 HA SER A 279 21.244 -23.147 -20.781 1.00 0.00 H new ATOM 0 HB2 SER A 279 18.713 -23.885 -22.272 1.00 0.00 H new ATOM 0 HB3 SER A 279 19.207 -24.346 -20.655 1.00 0.00 H new ATOM 0 HG SER A 279 18.068 -22.663 -20.012 1.00 0.00 H new ATOM 355 N LYS A 280 22.296 -24.788 -22.333 1.00 0.00 N ATOM 356 CA LYS A 280 22.943 -25.779 -23.250 1.00 0.00 C ATOM 357 C LYS A 280 23.121 -27.101 -22.511 1.00 0.00 C ATOM 358 O LYS A 280 23.484 -27.115 -21.331 1.00 0.00 O ATOM 359 CB LYS A 280 24.309 -25.264 -23.703 1.00 0.00 C ATOM 360 CG LYS A 280 24.122 -24.114 -24.690 1.00 0.00 C ATOM 361 CD LYS A 280 25.493 -23.627 -25.161 1.00 0.00 C ATOM 362 CE LYS A 280 25.313 -22.519 -26.198 1.00 0.00 C ATOM 363 NZ LYS A 280 26.650 -22.054 -26.659 1.00 0.00 N ATOM 0 H LYS A 280 22.740 -24.701 -21.419 1.00 0.00 H new ATOM 0 HA LYS A 280 22.310 -25.923 -24.126 1.00 0.00 H new ATOM 0 HB2 LYS A 280 24.886 -24.927 -22.842 1.00 0.00 H new ATOM 0 HB3 LYS A 280 24.876 -26.069 -24.171 1.00 0.00 H new ATOM 0 HG2 LYS A 280 23.527 -24.443 -25.542 1.00 0.00 H new ATOM 0 HG3 LYS A 280 23.576 -23.298 -24.217 1.00 0.00 H new ATOM 0 HD2 LYS A 280 26.070 -23.256 -24.314 1.00 0.00 H new ATOM 0 HD3 LYS A 280 26.056 -24.455 -25.592 1.00 0.00 H new ATOM 0 HE2 LYS A 280 24.732 -22.887 -27.043 1.00 0.00 H new ATOM 0 HE3 LYS A 280 24.755 -21.688 -25.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 26.531 -21.300 -27.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 27.189 -21.687 -25.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 27.166 -22.850 -27.086 1.00 0.00 H new ATOM 377 N LYS A 281 22.872 -28.206 -23.181 1.00 0.00 N ATOM 378 CA LYS A 281 23.024 -29.548 -22.532 1.00 0.00 C ATOM 379 C LYS A 281 23.695 -30.509 -23.507 1.00 0.00 C ATOM 380 O LYS A 281 23.653 -30.299 -24.725 1.00 0.00 O ATOM 381 CB LYS A 281 21.651 -30.098 -22.131 1.00 0.00 C ATOM 382 CG LYS A 281 21.022 -29.204 -21.053 1.00 0.00 C ATOM 383 CD LYS A 281 21.693 -29.467 -19.698 1.00 0.00 C ATOM 384 CE LYS A 281 20.852 -28.848 -18.580 1.00 0.00 C ATOM 385 NZ LYS A 281 21.327 -29.355 -17.261 1.00 0.00 N ATOM 0 H LYS A 281 22.569 -28.233 -24.154 1.00 0.00 H new ATOM 0 HA LYS A 281 23.639 -29.445 -21.638 1.00 0.00 H new ATOM 0 HB2 LYS A 281 20.999 -30.143 -23.003 1.00 0.00 H new ATOM 0 HB3 LYS A 281 21.753 -31.116 -21.756 1.00 0.00 H new ATOM 0 HG2 LYS A 281 21.135 -28.155 -21.327 1.00 0.00 H new ATOM 0 HG3 LYS A 281 19.952 -29.402 -20.983 1.00 0.00 H new ATOM 0 HD2 LYS A 281 21.799 -30.540 -19.536 1.00 0.00 H new ATOM 0 HD3 LYS A 281 22.697 -29.042 -19.689 1.00 0.00 H new ATOM 0 HE2 LYS A 281 20.928 -27.761 -18.613 1.00 0.00 H new ATOM 0 HE3 LYS A 281 19.800 -29.098 -18.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 20.755 -28.934 -16.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 21.233 -30.390 -17.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 22.325 -29.095 -17.128 1.00 0.00 H new ATOM 399 N GLN A 282 24.309 -31.556 -22.996 1.00 0.00 N ATOM 400 CA GLN A 282 24.992 -32.552 -23.881 1.00 0.00 C ATOM 401 C GLN A 282 24.667 -33.966 -23.406 1.00 0.00 C ATOM 402 O GLN A 282 24.382 -34.184 -22.224 1.00 0.00 O ATOM 403 CB GLN A 282 26.507 -32.335 -23.853 1.00 0.00 C ATOM 404 CG GLN A 282 26.854 -31.048 -24.601 1.00 0.00 C ATOM 405 CD GLN A 282 28.369 -30.906 -24.714 1.00 0.00 C ATOM 406 OE1 GLN A 282 28.968 -31.391 -25.674 1.00 0.00 O ATOM 407 NE2 GLN A 282 29.027 -30.271 -23.784 1.00 0.00 N ATOM 0 H GLN A 282 24.364 -31.761 -21.998 1.00 0.00 H new ATOM 0 HA GLN A 282 24.636 -32.420 -24.903 1.00 0.00 H new ATOM 0 HB2 GLN A 282 26.857 -32.274 -22.822 1.00 0.00 H new ATOM 0 HB3 GLN A 282 27.015 -33.183 -24.313 1.00 0.00 H new ATOM 0 HG2 GLN A 282 26.406 -31.062 -25.595 1.00 0.00 H new ATOM 0 HG3 GLN A 282 26.437 -30.188 -24.076 1.00 0.00 H new ATOM 0 HE21 GLN A 282 28.528 -29.870 -22.990 1.00 0.00 H new ATOM 0 HE22 GLN A 282 30.040 -30.175 -23.851 1.00 0.00 H new ATOM 416 N SER A 283 24.706 -34.924 -24.307 1.00 0.00 N ATOM 417 CA SER A 283 24.404 -36.344 -23.941 1.00 0.00 C ATOM 418 C SER A 283 25.445 -37.264 -24.575 1.00 0.00 C ATOM 419 O SER A 283 26.309 -36.807 -25.332 1.00 0.00 O ATOM 420 CB SER A 283 23.010 -36.732 -24.432 1.00 0.00 C ATOM 421 OG SER A 283 22.138 -35.616 -24.300 1.00 0.00 O ATOM 0 H SER A 283 24.937 -34.778 -25.290 1.00 0.00 H new ATOM 0 HA SER A 283 24.436 -36.446 -22.856 1.00 0.00 H new ATOM 0 HB2 SER A 283 23.055 -37.052 -25.473 1.00 0.00 H new ATOM 0 HB3 SER A 283 22.630 -37.575 -23.855 1.00 0.00 H new ATOM 0 HG SER A 283 21.243 -35.861 -24.616 1.00 0.00 H new ATOM 427 N ASP A 284 25.377 -38.546 -24.282 1.00 0.00 N ATOM 428 CA ASP A 284 26.356 -39.524 -24.857 1.00 0.00 C ATOM 429 C ASP A 284 26.039 -39.748 -26.332 1.00 0.00 C ATOM 430 O ASP A 284 26.939 -39.715 -27.179 1.00 0.00 O ATOM 431 CB ASP A 284 26.279 -40.855 -24.107 1.00 0.00 C ATOM 432 CG ASP A 284 24.842 -41.365 -24.093 1.00 0.00 C ATOM 433 OD1 ASP A 284 24.580 -42.361 -24.749 1.00 0.00 O ATOM 434 OD2 ASP A 284 24.023 -40.754 -23.425 1.00 0.00 O ATOM 0 H ASP A 284 24.678 -38.957 -23.663 1.00 0.00 H new ATOM 0 HA ASP A 284 27.364 -39.121 -24.754 1.00 0.00 H new ATOM 0 HB2 ASP A 284 26.929 -41.588 -24.584 1.00 0.00 H new ATOM 0 HB3 ASP A 284 26.638 -40.727 -23.086 1.00 0.00 H new ATOM 439 N THR A 285 24.783 -39.977 -26.652 1.00 0.00 N ATOM 440 CA THR A 285 24.382 -40.209 -28.075 1.00 0.00 C ATOM 441 C THR A 285 24.704 -38.964 -28.894 1.00 0.00 C ATOM 442 O THR A 285 25.152 -37.952 -28.346 1.00 0.00 O ATOM 443 CB THR A 285 22.884 -40.510 -28.160 1.00 0.00 C ATOM 444 OG1 THR A 285 22.155 -39.457 -27.544 1.00 0.00 O ATOM 445 CG2 THR A 285 22.582 -41.829 -27.445 1.00 0.00 C ATOM 0 H THR A 285 24.016 -40.013 -25.981 1.00 0.00 H new ATOM 0 HA THR A 285 24.933 -41.063 -28.470 1.00 0.00 H new ATOM 0 HB THR A 285 22.590 -40.593 -29.206 1.00 0.00 H new ATOM 0 HG1 THR A 285 21.195 -39.648 -27.599 1.00 0.00 H new ATOM 0 HG21 THR A 285 21.515 -42.041 -27.507 1.00 0.00 H new ATOM 0 HG22 THR A 285 23.140 -42.636 -27.919 1.00 0.00 H new ATOM 0 HG23 THR A 285 22.876 -41.751 -26.398 1.00 0.00 H new