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 Set 1.1: A 266 MET CE :methyl -157:sc= -0.569 (180deg=-0.0251) USER MOD Set 1.2: A 270 LYS NZ :NH3+ -111:sc= -0.561 (180deg=-0.00754) USER MOD Single : A 263 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 267 MET CE :methyl 134:sc= -0.246 (180deg=-1.19) USER MOD Single : A 271 LYS NZ :NH3+ -113:sc= 0.291 (180deg=-1.79!) USER MOD Single : A 272 CYS SG : rot 180:sc= 0 USER MOD Single : A 275 GLN : amide:sc= -0.286 X(o=-0.29,f=-0.63) 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 180:sc= -0.0692 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= -0.0247 K(o=-0.025,f=-0.76) 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 -12.523 -20.049 3.877 1.00 0.00 N ATOM 11 CA PRO A 259 -11.472 -19.730 4.893 1.00 0.00 C ATOM 12 C PRO A 259 -10.179 -20.515 4.657 1.00 0.00 C ATOM 13 O PRO A 259 -9.093 -20.063 5.037 1.00 0.00 O ATOM 14 CB PRO A 259 -12.135 -20.130 6.218 1.00 0.00 C ATOM 15 CG PRO A 259 -13.531 -20.693 5.931 1.00 0.00 C ATOM 16 CD PRO A 259 -13.804 -20.608 4.429 1.00 0.00 C ATOM 0 HA PRO A 259 -11.165 -18.685 4.861 1.00 0.00 H new ATOM 0 HB2 PRO A 259 -11.528 -20.875 6.732 1.00 0.00 H new ATOM 0 HB3 PRO A 259 -12.207 -19.266 6.878 1.00 0.00 H new ATOM 0 HG2 PRO A 259 -13.596 -21.728 6.267 1.00 0.00 H new ATOM 0 HG3 PRO A 259 -14.284 -20.131 6.483 1.00 0.00 H new ATOM 0 HD2 PRO A 259 -14.032 -21.586 4.005 1.00 0.00 H new ATOM 0 HD3 PRO A 259 -14.653 -19.960 4.210 1.00 0.00 H new ATOM 24 N ARG A 260 -10.282 -21.675 4.047 1.00 0.00 N ATOM 25 CA ARG A 260 -9.074 -22.514 3.781 1.00 0.00 C ATOM 26 C ARG A 260 -8.089 -21.734 2.894 1.00 0.00 C ATOM 27 O ARG A 260 -8.229 -20.518 2.724 1.00 0.00 O ATOM 28 CB ARG A 260 -9.501 -23.865 3.147 1.00 0.00 C ATOM 29 CG ARG A 260 -9.919 -23.726 1.660 1.00 0.00 C ATOM 30 CD ARG A 260 -11.414 -23.415 1.537 1.00 0.00 C ATOM 31 NE ARG A 260 -11.806 -23.357 0.091 1.00 0.00 N ATOM 32 CZ ARG A 260 -13.072 -23.422 -0.299 1.00 0.00 C ATOM 33 NH1 ARG A 260 -13.346 -23.358 -1.573 1.00 0.00 N ATOM 34 NH2 ARG A 260 -14.058 -23.552 0.562 1.00 0.00 N ATOM 0 H ARG A 260 -11.161 -22.077 3.721 1.00 0.00 H new ATOM 0 HA ARG A 260 -8.561 -22.743 4.715 1.00 0.00 H new ATOM 0 HB2 ARG A 260 -8.676 -24.573 3.223 1.00 0.00 H new ATOM 0 HB3 ARG A 260 -10.332 -24.281 3.716 1.00 0.00 H new ATOM 0 HG2 ARG A 260 -9.339 -22.933 1.188 1.00 0.00 H new ATOM 0 HG3 ARG A 260 -9.691 -24.649 1.127 1.00 0.00 H new ATOM 0 HD2 ARG A 260 -11.997 -24.180 2.050 1.00 0.00 H new ATOM 0 HD3 ARG A 260 -11.638 -22.465 2.022 1.00 0.00 H new ATOM 0 HE ARG A 260 -11.076 -23.265 -0.615 1.00 0.00 H new ATOM 0 HH11 ARG A 260 -12.592 -23.259 -2.253 1.00 0.00 H new ATOM 0 HH12 ARG A 260 -14.314 -23.407 -1.889 1.00 0.00 H new ATOM 0 HH21 ARG A 260 -13.859 -23.606 1.561 1.00 0.00 H new ATOM 0 HH22 ARG A 260 -15.022 -23.599 0.231 1.00 0.00 H new ATOM 48 N LEU A 261 -7.110 -22.411 2.327 1.00 0.00 N ATOM 49 CA LEU A 261 -6.111 -21.730 1.443 1.00 0.00 C ATOM 50 C LEU A 261 -6.205 -22.311 0.037 1.00 0.00 C ATOM 51 O LEU A 261 -6.797 -23.377 -0.162 1.00 0.00 O ATOM 52 CB LEU A 261 -4.683 -21.905 1.996 1.00 0.00 C ATOM 53 CG LEU A 261 -4.334 -23.403 2.184 1.00 0.00 C ATOM 54 CD1 LEU A 261 -3.838 -24.012 0.857 1.00 0.00 C ATOM 55 CD2 LEU A 261 -3.232 -23.538 3.248 1.00 0.00 C ATOM 0 H LEU A 261 -6.963 -23.414 2.443 1.00 0.00 H new ATOM 0 HA LEU A 261 -6.333 -20.663 1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 261 -3.967 -21.445 1.314 1.00 0.00 H new ATOM 0 HB3 LEU A 261 -4.594 -21.386 2.950 1.00 0.00 H new ATOM 0 HG LEU A 261 -5.230 -23.936 2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 261 -3.597 -25.064 1.007 1.00 0.00 H new ATOM 0 HD12 LEU A 261 -4.618 -23.922 0.101 1.00 0.00 H new ATOM 0 HD13 LEU A 261 -2.947 -23.480 0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 261 -2.984 -24.591 3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 261 -2.345 -22.995 2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 261 -3.586 -23.125 4.193 1.00 0.00 H new ATOM 67 N ARG A 262 -5.623 -21.641 -0.933 1.00 0.00 N ATOM 68 CA ARG A 262 -5.652 -22.146 -2.342 1.00 0.00 C ATOM 69 C ARG A 262 -4.221 -22.456 -2.780 1.00 0.00 C ATOM 70 O ARG A 262 -3.286 -22.333 -1.982 1.00 0.00 O ATOM 71 CB ARG A 262 -6.288 -21.090 -3.265 1.00 0.00 C ATOM 72 CG ARG A 262 -6.908 -21.758 -4.524 1.00 0.00 C ATOM 73 CD ARG A 262 -8.247 -21.097 -4.912 1.00 0.00 C ATOM 74 NE ARG A 262 -9.390 -22.000 -4.548 1.00 0.00 N ATOM 75 CZ ARG A 262 -10.643 -21.569 -4.516 1.00 0.00 C ATOM 76 NH1 ARG A 262 -11.594 -22.406 -4.202 1.00 0.00 N ATOM 77 NH2 ARG A 262 -10.957 -20.321 -4.791 1.00 0.00 N ATOM 0 H ARG A 262 -5.126 -20.759 -0.805 1.00 0.00 H new ATOM 0 HA ARG A 262 -6.253 -23.054 -2.403 1.00 0.00 H new ATOM 0 HB2 ARG A 262 -7.058 -20.542 -2.722 1.00 0.00 H new ATOM 0 HB3 ARG A 262 -5.534 -20.363 -3.568 1.00 0.00 H new ATOM 0 HG2 ARG A 262 -6.210 -21.685 -5.358 1.00 0.00 H new ATOM 0 HG3 ARG A 262 -7.067 -22.819 -4.333 1.00 0.00 H new ATOM 0 HD2 ARG A 262 -8.351 -20.140 -4.400 1.00 0.00 H new ATOM 0 HD3 ARG A 262 -8.263 -20.890 -5.982 1.00 0.00 H new ATOM 0 HE ARG A 262 -9.196 -22.975 -4.318 1.00 0.00 H new ATOM 0 HH11 ARG A 262 -11.368 -23.377 -3.985 1.00 0.00 H new ATOM 0 HH12 ARG A 262 -12.563 -22.089 -4.173 1.00 0.00 H new ATOM 0 HH21 ARG A 262 -10.226 -19.654 -5.038 1.00 0.00 H new ATOM 0 HH22 ARG A 262 -11.931 -20.021 -4.757 1.00 0.00 H new ATOM 91 N LYS A 263 -4.032 -22.867 -4.018 1.00 0.00 N ATOM 92 CA LYS A 263 -2.666 -23.205 -4.525 1.00 0.00 C ATOM 93 C LYS A 263 -1.714 -22.025 -4.298 1.00 0.00 C ATOM 94 O LYS A 263 -2.104 -20.998 -3.732 1.00 0.00 O ATOM 95 CB LYS A 263 -2.734 -23.569 -6.017 1.00 0.00 C ATOM 96 CG LYS A 263 -3.315 -22.400 -6.830 1.00 0.00 C ATOM 97 CD LYS A 263 -3.290 -22.734 -8.326 1.00 0.00 C ATOM 98 CE LYS A 263 -1.857 -22.634 -8.859 1.00 0.00 C ATOM 99 NZ LYS A 263 -1.880 -22.631 -10.350 1.00 0.00 N ATOM 0 H LYS A 263 -4.779 -22.982 -4.703 1.00 0.00 H new ATOM 0 HA LYS A 263 -2.284 -24.066 -3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 263 -1.737 -23.815 -6.383 1.00 0.00 H new ATOM 0 HB3 LYS A 263 -3.351 -24.457 -6.153 1.00 0.00 H new ATOM 0 HG2 LYS A 263 -4.338 -22.199 -6.512 1.00 0.00 H new ATOM 0 HG3 LYS A 263 -2.738 -21.494 -6.642 1.00 0.00 H new ATOM 0 HD2 LYS A 263 -3.679 -23.739 -8.490 1.00 0.00 H new ATOM 0 HD3 LYS A 263 -3.939 -22.049 -8.871 1.00 0.00 H new ATOM 0 HE2 LYS A 263 -1.383 -21.724 -8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 263 -1.263 -23.473 -8.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 263 -0.907 -22.563 -10.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 263 -2.316 -23.511 -10.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 263 -2.432 -21.817 -10.687 1.00 0.00 H new ATOM 113 N GLY A 264 -0.478 -22.164 -4.720 1.00 0.00 N ATOM 114 CA GLY A 264 0.535 -21.078 -4.534 1.00 0.00 C ATOM 115 C GLY A 264 1.530 -21.484 -3.443 1.00 0.00 C ATOM 116 O GLY A 264 2.132 -20.621 -2.793 1.00 0.00 O ATOM 0 H GLY A 264 -0.125 -22.997 -5.192 1.00 0.00 H new ATOM 0 HA2 GLY A 264 1.062 -20.894 -5.470 1.00 0.00 H new ATOM 0 HA3 GLY A 264 0.039 -20.147 -4.259 1.00 0.00 H new ATOM 120 N ARG A 265 1.710 -22.774 -3.226 1.00 0.00 N ATOM 121 CA ARG A 265 2.660 -23.255 -2.173 1.00 0.00 C ATOM 122 C ARG A 265 4.075 -22.770 -2.491 1.00 0.00 C ATOM 123 O ARG A 265 4.348 -22.307 -3.603 1.00 0.00 O ATOM 124 CB ARG A 265 2.633 -24.793 -2.090 1.00 0.00 C ATOM 125 CG ARG A 265 3.009 -25.410 -3.446 1.00 0.00 C ATOM 126 CD ARG A 265 3.223 -26.916 -3.285 1.00 0.00 C ATOM 127 NE ARG A 265 3.863 -27.479 -4.521 1.00 0.00 N ATOM 128 CZ ARG A 265 4.416 -28.684 -4.541 1.00 0.00 C ATOM 129 NH1 ARG A 265 4.966 -29.109 -5.646 1.00 0.00 N ATOM 130 NH2 ARG A 265 4.426 -29.463 -3.481 1.00 0.00 N ATOM 0 H ARG A 265 1.233 -23.515 -3.740 1.00 0.00 H new ATOM 0 HA ARG A 265 2.352 -22.850 -1.209 1.00 0.00 H new ATOM 0 HB2 ARG A 265 3.328 -25.134 -1.323 1.00 0.00 H new ATOM 0 HB3 ARG A 265 1.640 -25.130 -1.793 1.00 0.00 H new ATOM 0 HG2 ARG A 265 2.220 -25.221 -4.174 1.00 0.00 H new ATOM 0 HG3 ARG A 265 3.916 -24.943 -3.830 1.00 0.00 H new ATOM 0 HD2 ARG A 265 3.854 -27.111 -2.418 1.00 0.00 H new ATOM 0 HD3 ARG A 265 2.269 -27.410 -3.103 1.00 0.00 H new ATOM 0 HE ARG A 265 3.873 -26.917 -5.372 1.00 0.00 H new ATOM 0 HH11 ARG A 265 4.966 -28.517 -6.476 1.00 0.00 H new ATOM 0 HH12 ARG A 265 5.396 -30.033 -5.679 1.00 0.00 H new ATOM 0 HH21 ARG A 265 4.000 -29.145 -2.610 1.00 0.00 H new ATOM 0 HH22 ARG A 265 4.860 -30.385 -3.530 1.00 0.00 H new ATOM 144 N MET A 266 4.968 -22.869 -1.533 1.00 0.00 N ATOM 145 CA MET A 266 6.380 -22.423 -1.738 1.00 0.00 C ATOM 146 C MET A 266 6.984 -23.161 -2.932 1.00 0.00 C ATOM 147 O MET A 266 7.030 -24.395 -2.953 1.00 0.00 O ATOM 148 CB MET A 266 7.210 -22.719 -0.477 1.00 0.00 C ATOM 149 CG MET A 266 8.358 -21.713 -0.352 1.00 0.00 C ATOM 150 SD MET A 266 9.150 -21.901 1.266 1.00 0.00 S ATOM 151 CE MET A 266 10.451 -23.054 0.761 1.00 0.00 C ATOM 0 H MET A 266 4.773 -23.246 -0.605 1.00 0.00 H new ATOM 0 HA MET A 266 6.391 -21.350 -1.931 1.00 0.00 H new ATOM 0 HB2 MET A 266 6.574 -22.668 0.407 1.00 0.00 H new ATOM 0 HB3 MET A 266 7.608 -23.733 -0.524 1.00 0.00 H new ATOM 0 HG2 MET A 266 9.086 -21.875 -1.147 1.00 0.00 H new ATOM 0 HG3 MET A 266 7.980 -20.697 -0.468 1.00 0.00 H new ATOM 0 HE1 MET A 266 10.798 -23.615 1.629 1.00 0.00 H new ATOM 0 HE2 MET A 266 10.056 -23.745 0.017 1.00 0.00 H new ATOM 0 HE3 MET A 266 11.284 -22.497 0.332 1.00 0.00 H new ATOM 161 N MET A 267 7.461 -22.423 -3.909 1.00 0.00 N ATOM 162 CA MET A 267 8.092 -23.043 -5.117 1.00 0.00 C ATOM 163 C MET A 267 9.576 -22.635 -5.121 1.00 0.00 C ATOM 164 O MET A 267 10.145 -22.419 -4.045 1.00 0.00 O ATOM 165 CB MET A 267 7.371 -22.561 -6.395 1.00 0.00 C ATOM 166 CG MET A 267 5.881 -22.925 -6.334 1.00 0.00 C ATOM 167 SD MET A 267 5.183 -22.885 -8.003 1.00 0.00 S ATOM 168 CE MET A 267 5.999 -24.375 -8.631 1.00 0.00 C ATOM 0 H MET A 267 7.439 -21.403 -3.919 1.00 0.00 H new ATOM 0 HA MET A 267 8.009 -24.130 -5.092 1.00 0.00 H new ATOM 0 HB2 MET A 267 7.485 -21.482 -6.500 1.00 0.00 H new ATOM 0 HB3 MET A 267 7.828 -23.017 -7.273 1.00 0.00 H new ATOM 0 HG2 MET A 267 5.755 -23.917 -5.899 1.00 0.00 H new ATOM 0 HG3 MET A 267 5.350 -22.224 -5.689 1.00 0.00 H new ATOM 0 HE1 MET A 267 5.273 -24.992 -9.160 1.00 0.00 H new ATOM 0 HE2 MET A 267 6.800 -24.091 -9.314 1.00 0.00 H new ATOM 0 HE3 MET A 267 6.416 -24.940 -7.798 1.00 0.00 H new ATOM 178 N ASP A 268 10.217 -22.511 -6.274 1.00 0.00 N ATOM 179 CA ASP A 268 11.659 -22.092 -6.293 1.00 0.00 C ATOM 180 C ASP A 268 11.741 -20.698 -5.681 1.00 0.00 C ATOM 181 O ASP A 268 11.479 -19.700 -6.362 1.00 0.00 O ATOM 182 CB ASP A 268 12.233 -22.065 -7.726 1.00 0.00 C ATOM 183 CG ASP A 268 11.722 -23.255 -8.537 1.00 0.00 C ATOM 184 OD1 ASP A 268 11.776 -24.361 -8.026 1.00 0.00 O ATOM 185 OD2 ASP A 268 11.282 -23.041 -9.655 1.00 0.00 O ATOM 0 H ASP A 268 9.803 -22.681 -7.191 1.00 0.00 H new ATOM 0 HA ASP A 268 12.249 -22.812 -5.726 1.00 0.00 H new ATOM 0 HB2 ASP A 268 11.950 -21.135 -8.219 1.00 0.00 H new ATOM 0 HB3 ASP A 268 13.322 -22.086 -7.687 1.00 0.00 H new ATOM 190 N VAL A 269 12.087 -20.609 -4.411 1.00 0.00 N ATOM 191 CA VAL A 269 12.177 -19.275 -3.731 1.00 0.00 C ATOM 192 C VAL A 269 13.576 -19.083 -3.133 1.00 0.00 C ATOM 193 O VAL A 269 14.152 -17.994 -3.239 1.00 0.00 O ATOM 194 CB VAL A 269 11.101 -19.157 -2.634 1.00 0.00 C ATOM 195 CG1 VAL A 269 9.706 -19.273 -3.262 1.00 0.00 C ATOM 196 CG2 VAL A 269 11.274 -20.269 -1.591 1.00 0.00 C ATOM 0 H VAL A 269 12.311 -21.408 -3.818 1.00 0.00 H new ATOM 0 HA VAL A 269 12.002 -18.492 -4.469 1.00 0.00 H new ATOM 0 HB VAL A 269 11.210 -18.188 -2.146 1.00 0.00 H new ATOM 0 HG11 VAL A 269 8.948 -19.189 -2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 269 9.567 -18.474 -3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 269 9.610 -20.238 -3.759 1.00 0.00 H new ATOM 0 HG21 VAL A 269 10.506 -20.171 -0.824 1.00 0.00 H new ATOM 0 HG22 VAL A 269 11.180 -21.241 -2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 269 12.259 -20.187 -1.131 1.00 0.00 H new ATOM 206 N LYS A 270 14.132 -20.107 -2.513 1.00 0.00 N ATOM 207 CA LYS A 270 15.504 -19.986 -1.901 1.00 0.00 C ATOM 208 C LYS A 270 16.589 -20.225 -2.964 1.00 0.00 C ATOM 209 O LYS A 270 17.764 -19.919 -2.740 1.00 0.00 O ATOM 210 CB LYS A 270 15.678 -21.011 -0.772 1.00 0.00 C ATOM 211 CG LYS A 270 14.623 -20.787 0.317 1.00 0.00 C ATOM 212 CD LYS A 270 15.034 -21.539 1.588 1.00 0.00 C ATOM 213 CE LYS A 270 14.014 -21.277 2.701 1.00 0.00 C ATOM 214 NZ LYS A 270 12.795 -22.100 2.460 1.00 0.00 N ATOM 0 H LYS A 270 13.694 -21.022 -2.405 1.00 0.00 H new ATOM 0 HA LYS A 270 15.606 -18.979 -1.498 1.00 0.00 H new ATOM 0 HB2 LYS A 270 15.589 -22.021 -1.172 1.00 0.00 H new ATOM 0 HB3 LYS A 270 16.677 -20.924 -0.344 1.00 0.00 H new ATOM 0 HG2 LYS A 270 14.523 -19.722 0.528 1.00 0.00 H new ATOM 0 HG3 LYS A 270 13.650 -21.137 -0.027 1.00 0.00 H new ATOM 0 HD2 LYS A 270 15.097 -22.608 1.384 1.00 0.00 H new ATOM 0 HD3 LYS A 270 16.025 -21.217 1.908 1.00 0.00 H new ATOM 0 HE2 LYS A 270 14.446 -21.523 3.671 1.00 0.00 H new ATOM 0 HE3 LYS A 270 13.752 -20.219 2.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 270 12.002 -21.479 2.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 270 12.976 -22.770 1.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 270 12.555 -22.627 3.324 1.00 0.00 H new ATOM 228 N LYS A 271 16.220 -20.783 -4.095 1.00 0.00 N ATOM 229 CA LYS A 271 17.196 -21.085 -5.188 1.00 0.00 C ATOM 230 C LYS A 271 17.869 -19.796 -5.696 1.00 0.00 C ATOM 231 O LYS A 271 17.710 -18.722 -5.111 1.00 0.00 O ATOM 232 CB LYS A 271 16.452 -21.843 -6.325 1.00 0.00 C ATOM 233 CG LYS A 271 15.706 -20.892 -7.304 1.00 0.00 C ATOM 234 CD LYS A 271 14.580 -20.103 -6.594 1.00 0.00 C ATOM 235 CE LYS A 271 15.064 -18.705 -6.150 1.00 0.00 C ATOM 236 NZ LYS A 271 13.934 -17.729 -6.231 1.00 0.00 N ATOM 0 H LYS A 271 15.258 -21.047 -4.309 1.00 0.00 H new ATOM 0 HA LYS A 271 17.996 -21.721 -4.808 1.00 0.00 H new ATOM 0 HB2 LYS A 271 17.170 -22.441 -6.885 1.00 0.00 H new ATOM 0 HB3 LYS A 271 15.735 -22.536 -5.884 1.00 0.00 H new ATOM 0 HG2 LYS A 271 16.417 -20.193 -7.744 1.00 0.00 H new ATOM 0 HG3 LYS A 271 15.282 -21.473 -8.123 1.00 0.00 H new ATOM 0 HD2 LYS A 271 13.728 -19.998 -7.266 1.00 0.00 H new ATOM 0 HD3 LYS A 271 14.234 -20.663 -5.725 1.00 0.00 H new ATOM 0 HE2 LYS A 271 15.446 -18.749 -5.130 1.00 0.00 H new ATOM 0 HE3 LYS A 271 15.887 -18.376 -6.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 271 14.130 -17.032 -6.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 271 13.053 -18.235 -6.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 271 13.832 -17.240 -5.319 1.00 0.00 H new ATOM 250 N CYS A 272 18.600 -19.901 -6.786 1.00 0.00 N ATOM 251 CA CYS A 272 19.284 -18.717 -7.396 1.00 0.00 C ATOM 252 C CYS A 272 18.580 -18.353 -8.715 1.00 0.00 C ATOM 253 O CYS A 272 18.646 -17.207 -9.168 1.00 0.00 O ATOM 254 CB CYS A 272 20.763 -19.055 -7.672 1.00 0.00 C ATOM 255 SG CYS A 272 21.841 -17.815 -6.905 1.00 0.00 S ATOM 0 H CYS A 272 18.752 -20.777 -7.286 1.00 0.00 H new ATOM 0 HA CYS A 272 19.235 -17.872 -6.709 1.00 0.00 H new ATOM 0 HB2 CYS A 272 20.997 -20.044 -7.279 1.00 0.00 H new ATOM 0 HB3 CYS A 272 20.942 -19.088 -8.747 1.00 0.00 H new ATOM 0 HG CYS A 272 23.084 -18.113 -7.143 1.00 0.00 H new ATOM 261 N GLY A 273 17.925 -19.315 -9.336 1.00 0.00 N ATOM 262 CA GLY A 273 17.221 -19.076 -10.629 1.00 0.00 C ATOM 263 C GLY A 273 18.239 -19.188 -11.746 1.00 0.00 C ATOM 264 O GLY A 273 19.337 -18.627 -11.650 1.00 0.00 O ATOM 0 H GLY A 273 17.852 -20.271 -8.988 1.00 0.00 H new ATOM 0 HA2 GLY A 273 16.422 -19.804 -10.768 1.00 0.00 H new ATOM 0 HA3 GLY A 273 16.758 -18.089 -10.634 1.00 0.00 H new ATOM 268 N ILE A 274 17.920 -19.931 -12.778 1.00 0.00 N ATOM 269 CA ILE A 274 18.893 -20.129 -13.899 1.00 0.00 C ATOM 270 C ILE A 274 18.161 -19.983 -15.228 1.00 0.00 C ATOM 271 O ILE A 274 17.129 -20.623 -15.452 1.00 0.00 O ATOM 272 CB ILE A 274 19.542 -21.529 -13.797 1.00 0.00 C ATOM 273 CG1 ILE A 274 19.955 -21.845 -12.327 1.00 0.00 C ATOM 274 CG2 ILE A 274 20.782 -21.582 -14.684 1.00 0.00 C ATOM 275 CD1 ILE A 274 18.838 -22.623 -11.636 1.00 0.00 C ATOM 0 H ILE A 274 17.027 -20.410 -12.893 1.00 0.00 H new ATOM 0 HA ILE A 274 19.681 -19.378 -13.835 1.00 0.00 H new ATOM 0 HB ILE A 274 18.812 -22.270 -14.124 1.00 0.00 H new ATOM 0 HG12 ILE A 274 20.877 -22.426 -12.315 1.00 0.00 H new ATOM 0 HG13 ILE A 274 20.154 -20.919 -11.788 1.00 0.00 H new ATOM 0 HG21 ILE A 274 21.239 -22.569 -14.612 1.00 0.00 H new ATOM 0 HG22 ILE A 274 20.498 -21.388 -15.718 1.00 0.00 H new ATOM 0 HG23 ILE A 274 21.496 -20.827 -14.356 1.00 0.00 H new ATOM 0 HD11 ILE A 274 19.129 -22.843 -10.609 1.00 0.00 H new ATOM 0 HD12 ILE A 274 17.926 -22.026 -11.635 1.00 0.00 H new ATOM 0 HD13 ILE A 274 18.660 -23.556 -12.170 1.00 0.00 H new ATOM 287 N GLN A 275 18.675 -19.151 -16.107 1.00 0.00 N ATOM 288 CA GLN A 275 18.027 -18.936 -17.438 1.00 0.00 C ATOM 289 C GLN A 275 18.940 -19.467 -18.538 1.00 0.00 C ATOM 290 O GLN A 275 20.121 -19.734 -18.299 1.00 0.00 O ATOM 291 CB GLN A 275 17.766 -17.443 -17.663 1.00 0.00 C ATOM 292 CG GLN A 275 16.719 -16.946 -16.663 1.00 0.00 C ATOM 293 CD GLN A 275 15.353 -17.531 -17.002 1.00 0.00 C ATOM 294 OE1 GLN A 275 15.016 -18.626 -16.554 1.00 0.00 O ATOM 295 NE2 GLN A 275 14.542 -16.862 -17.775 1.00 0.00 N ATOM 0 H GLN A 275 19.525 -18.608 -15.954 1.00 0.00 H new ATOM 0 HA GLN A 275 17.076 -19.468 -17.462 1.00 0.00 H new ATOM 0 HB2 GLN A 275 18.692 -16.880 -17.545 1.00 0.00 H new ATOM 0 HB3 GLN A 275 17.418 -17.274 -18.682 1.00 0.00 H new ATOM 0 HG2 GLN A 275 17.006 -17.233 -15.651 1.00 0.00 H new ATOM 0 HG3 GLN A 275 16.673 -15.857 -16.684 1.00 0.00 H new ATOM 0 HE21 GLN A 275 14.823 -15.954 -18.145 1.00 0.00 H new ATOM 0 HE22 GLN A 275 13.627 -17.247 -18.009 1.00 0.00 H new ATOM 304 N ASP A 276 18.413 -19.622 -19.733 1.00 0.00 N ATOM 305 CA ASP A 276 19.233 -20.137 -20.873 1.00 0.00 C ATOM 306 C ASP A 276 19.951 -18.961 -21.546 1.00 0.00 C ATOM 307 O ASP A 276 19.944 -18.821 -22.778 1.00 0.00 O ATOM 308 CB ASP A 276 18.327 -20.866 -21.875 1.00 0.00 C ATOM 309 CG ASP A 276 17.911 -22.222 -21.312 1.00 0.00 C ATOM 310 OD1 ASP A 276 16.718 -22.457 -21.210 1.00 0.00 O ATOM 311 OD2 ASP A 276 18.791 -23.005 -20.996 1.00 0.00 O ATOM 0 H ASP A 276 17.442 -19.411 -19.966 1.00 0.00 H new ATOM 0 HA ASP A 276 19.978 -20.844 -20.507 1.00 0.00 H new ATOM 0 HB2 ASP A 276 17.443 -20.263 -22.084 1.00 0.00 H new ATOM 0 HB3 ASP A 276 18.852 -21.001 -22.821 1.00 0.00 H new ATOM 316 N THR A 277 20.580 -18.115 -20.756 1.00 0.00 N ATOM 317 CA THR A 277 21.313 -16.940 -21.319 1.00 0.00 C ATOM 318 C THR A 277 22.567 -17.428 -22.037 1.00 0.00 C ATOM 319 O THR A 277 22.812 -17.064 -23.192 1.00 0.00 O ATOM 320 CB THR A 277 21.701 -15.975 -20.202 1.00 0.00 C ATOM 321 OG1 THR A 277 20.588 -15.775 -19.343 1.00 0.00 O ATOM 322 CG2 THR A 277 22.134 -14.634 -20.800 1.00 0.00 C ATOM 0 H THR A 277 20.614 -18.193 -19.740 1.00 0.00 H new ATOM 0 HA THR A 277 20.666 -16.417 -22.023 1.00 0.00 H new ATOM 0 HB THR A 277 22.530 -16.397 -19.634 1.00 0.00 H new ATOM 0 HG1 THR A 277 20.836 -15.157 -18.624 1.00 0.00 H new ATOM 0 HG21 THR A 277 22.410 -13.950 -19.998 1.00 0.00 H new ATOM 0 HG22 THR A 277 22.991 -14.788 -21.456 1.00 0.00 H new ATOM 0 HG23 THR A 277 21.310 -14.208 -21.373 1.00 0.00 H new ATOM 330 N ASN A 278 23.358 -18.245 -21.376 1.00 0.00 N ATOM 331 CA ASN A 278 24.609 -18.779 -21.998 1.00 0.00 C ATOM 332 C ASN A 278 24.611 -20.303 -21.886 1.00 0.00 C ATOM 333 O ASN A 278 24.587 -21.006 -22.901 1.00 0.00 O ATOM 334 CB ASN A 278 25.840 -18.199 -21.295 1.00 0.00 C ATOM 335 CG ASN A 278 25.840 -16.678 -21.408 1.00 0.00 C ATOM 336 OD1 ASN A 278 25.498 -15.983 -20.451 1.00 0.00 O ATOM 337 ND2 ASN A 278 26.207 -16.115 -22.527 1.00 0.00 N ATOM 0 H ASN A 278 23.185 -18.566 -20.423 1.00 0.00 H new ATOM 0 HA ASN A 278 24.644 -18.489 -23.048 1.00 0.00 H new ATOM 0 HB2 ASN A 278 25.842 -18.493 -20.246 1.00 0.00 H new ATOM 0 HB3 ASN A 278 26.748 -18.605 -21.741 1.00 0.00 H new ATOM 0 HD21 ASN A 278 26.211 -15.098 -22.609 1.00 0.00 H new ATOM 0 HD22 ASN A 278 26.490 -16.692 -23.319 1.00 0.00 H new ATOM 344 N SER A 279 24.630 -20.823 -20.673 1.00 0.00 N ATOM 345 CA SER A 279 24.627 -22.311 -20.453 1.00 0.00 C ATOM 346 C SER A 279 25.911 -22.920 -21.010 1.00 0.00 C ATOM 347 O SER A 279 26.248 -22.722 -22.182 1.00 0.00 O ATOM 348 CB SER A 279 23.414 -22.962 -21.127 1.00 0.00 C ATOM 349 OG SER A 279 22.321 -22.052 -21.114 1.00 0.00 O ATOM 0 H SER A 279 24.648 -20.270 -19.816 1.00 0.00 H new ATOM 0 HA SER A 279 24.569 -22.498 -19.381 1.00 0.00 H new ATOM 0 HB2 SER A 279 23.659 -23.239 -22.152 1.00 0.00 H new ATOM 0 HB3 SER A 279 23.143 -23.880 -20.605 1.00 0.00 H new ATOM 0 HG SER A 279 21.545 -22.466 -21.546 1.00 0.00 H new ATOM 355 N LYS A 280 26.630 -23.658 -20.191 1.00 0.00 N ATOM 356 CA LYS A 280 27.901 -24.298 -20.649 1.00 0.00 C ATOM 357 C LYS A 280 28.095 -25.618 -19.907 1.00 0.00 C ATOM 358 O LYS A 280 28.483 -25.628 -18.734 1.00 0.00 O ATOM 359 CB LYS A 280 29.077 -23.356 -20.371 1.00 0.00 C ATOM 360 CG LYS A 280 30.257 -23.690 -21.297 1.00 0.00 C ATOM 361 CD LYS A 280 31.242 -22.513 -21.326 1.00 0.00 C ATOM 362 CE LYS A 280 32.063 -22.483 -20.035 1.00 0.00 C ATOM 363 NZ LYS A 280 32.842 -21.214 -19.972 1.00 0.00 N ATOM 0 H LYS A 280 26.385 -23.843 -19.218 1.00 0.00 H new ATOM 0 HA LYS A 280 27.852 -24.494 -21.720 1.00 0.00 H new ATOM 0 HB2 LYS A 280 28.768 -22.322 -20.523 1.00 0.00 H new ATOM 0 HB3 LYS A 280 29.386 -23.446 -19.330 1.00 0.00 H new ATOM 0 HG2 LYS A 280 30.762 -24.591 -20.948 1.00 0.00 H new ATOM 0 HG3 LYS A 280 29.894 -23.898 -22.304 1.00 0.00 H new ATOM 0 HD2 LYS A 280 31.905 -22.605 -22.186 1.00 0.00 H new ATOM 0 HD3 LYS A 280 30.698 -21.576 -21.442 1.00 0.00 H new ATOM 0 HE2 LYS A 280 31.404 -22.561 -19.170 1.00 0.00 H new ATOM 0 HE3 LYS A 280 32.737 -23.339 -20.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 33.400 -21.193 -19.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 33.481 -21.158 -20.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 32.189 -20.405 -19.986 1.00 0.00 H new ATOM 377 N LYS A 281 27.829 -26.723 -20.568 1.00 0.00 N ATOM 378 CA LYS A 281 27.987 -28.068 -19.922 1.00 0.00 C ATOM 379 C LYS A 281 28.625 -29.034 -20.917 1.00 0.00 C ATOM 380 O LYS A 281 28.483 -28.866 -22.134 1.00 0.00 O ATOM 381 CB LYS A 281 26.622 -28.609 -19.455 1.00 0.00 C ATOM 382 CG LYS A 281 25.633 -28.663 -20.629 1.00 0.00 C ATOM 383 CD LYS A 281 24.267 -29.138 -20.128 1.00 0.00 C ATOM 384 CE LYS A 281 23.270 -29.150 -21.291 1.00 0.00 C ATOM 385 NZ LYS A 281 21.931 -29.618 -20.815 1.00 0.00 N ATOM 0 H LYS A 281 27.507 -26.750 -21.535 1.00 0.00 H new ATOM 0 HA LYS A 281 28.630 -27.970 -19.048 1.00 0.00 H new ATOM 0 HB2 LYS A 281 26.745 -29.605 -19.030 1.00 0.00 H new ATOM 0 HB3 LYS A 281 26.223 -27.973 -18.665 1.00 0.00 H new ATOM 0 HG2 LYS A 281 25.541 -27.678 -21.086 1.00 0.00 H new ATOM 0 HG3 LYS A 281 26.004 -29.339 -21.400 1.00 0.00 H new ATOM 0 HD2 LYS A 281 24.353 -30.136 -19.699 1.00 0.00 H new ATOM 0 HD3 LYS A 281 23.910 -28.480 -19.336 1.00 0.00 H new ATOM 0 HE2 LYS A 281 23.184 -28.150 -21.717 1.00 0.00 H new ATOM 0 HE3 LYS A 281 23.632 -29.805 -22.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 21.262 -29.623 -21.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 22.017 -30.580 -20.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 21.583 -28.977 -20.074 1.00 0.00 H new ATOM 399 N GLN A 282 29.320 -30.038 -20.425 1.00 0.00 N ATOM 400 CA GLN A 282 29.982 -31.033 -21.330 1.00 0.00 C ATOM 401 C GLN A 282 29.767 -32.444 -20.786 1.00 0.00 C ATOM 402 O GLN A 282 29.632 -32.637 -19.573 1.00 0.00 O ATOM 403 CB GLN A 282 31.488 -30.738 -21.452 1.00 0.00 C ATOM 404 CG GLN A 282 32.148 -30.709 -20.067 1.00 0.00 C ATOM 405 CD GLN A 282 33.553 -30.125 -20.173 1.00 0.00 C ATOM 406 OE1 GLN A 282 33.766 -29.141 -20.880 1.00 0.00 O ATOM 407 NE2 GLN A 282 34.529 -30.678 -19.506 1.00 0.00 N ATOM 0 H GLN A 282 29.456 -30.210 -19.429 1.00 0.00 H new ATOM 0 HA GLN A 282 29.536 -30.956 -22.322 1.00 0.00 H new ATOM 0 HB2 GLN A 282 31.964 -31.498 -22.071 1.00 0.00 H new ATOM 0 HB3 GLN A 282 31.637 -29.781 -21.952 1.00 0.00 H new ATOM 0 HG2 GLN A 282 31.547 -30.112 -19.381 1.00 0.00 H new ATOM 0 HG3 GLN A 282 32.194 -31.717 -19.655 1.00 0.00 H new ATOM 0 HE21 GLN A 282 34.349 -31.494 -18.921 1.00 0.00 H new ATOM 0 HE22 GLN A 282 35.472 -30.294 -19.570 1.00 0.00 H new ATOM 416 N SER A 283 29.739 -33.426 -21.661 1.00 0.00 N ATOM 417 CA SER A 283 29.535 -34.843 -21.225 1.00 0.00 C ATOM 418 C SER A 283 30.530 -35.742 -21.954 1.00 0.00 C ATOM 419 O SER A 283 31.307 -35.269 -22.789 1.00 0.00 O ATOM 420 CB SER A 283 28.107 -35.291 -21.539 1.00 0.00 C ATOM 421 OG SER A 283 27.214 -34.697 -20.605 1.00 0.00 O ATOM 0 H SER A 283 29.850 -33.302 -22.667 1.00 0.00 H new ATOM 0 HA SER A 283 29.696 -34.915 -20.149 1.00 0.00 H new ATOM 0 HB2 SER A 283 27.837 -35.000 -22.554 1.00 0.00 H new ATOM 0 HB3 SER A 283 28.035 -36.377 -21.489 1.00 0.00 H new ATOM 0 HG SER A 283 26.297 -34.980 -20.804 1.00 0.00 H new ATOM 427 N ASP A 284 30.518 -37.023 -21.653 1.00 0.00 N ATOM 428 CA ASP A 284 31.460 -37.977 -22.319 1.00 0.00 C ATOM 429 C ASP A 284 31.232 -37.937 -23.828 1.00 0.00 C ATOM 430 O ASP A 284 32.129 -37.556 -24.586 1.00 0.00 O ATOM 431 CB ASP A 284 31.234 -39.399 -21.791 1.00 0.00 C ATOM 432 CG ASP A 284 32.216 -40.364 -22.447 1.00 0.00 C ATOM 433 OD1 ASP A 284 33.171 -40.743 -21.789 1.00 0.00 O ATOM 434 OD2 ASP A 284 32.000 -40.707 -23.597 1.00 0.00 O ATOM 0 H ASP A 284 29.891 -37.448 -20.970 1.00 0.00 H new ATOM 0 HA ASP A 284 32.487 -37.685 -22.098 1.00 0.00 H new ATOM 0 HB2 ASP A 284 31.362 -39.418 -20.709 1.00 0.00 H new ATOM 0 HB3 ASP A 284 30.211 -39.713 -21.997 1.00 0.00 H new ATOM 439 N THR A 285 30.053 -38.319 -24.274 1.00 0.00 N ATOM 440 CA THR A 285 29.743 -38.307 -25.739 1.00 0.00 C ATOM 441 C THR A 285 29.912 -36.887 -26.278 1.00 0.00 C ATOM 442 O THR A 285 29.950 -35.924 -25.505 1.00 0.00 O ATOM 443 CB THR A 285 28.309 -38.806 -25.994 1.00 0.00 C ATOM 444 OG1 THR A 285 28.020 -38.709 -27.382 1.00 0.00 O ATOM 445 CG2 THR A 285 27.297 -37.964 -25.205 1.00 0.00 C ATOM 0 H THR A 285 29.290 -38.640 -23.679 1.00 0.00 H new ATOM 0 HA THR A 285 30.431 -38.977 -26.255 1.00 0.00 H new ATOM 0 HB THR A 285 28.233 -39.843 -25.667 1.00 0.00 H new ATOM 0 HG1 THR A 285 27.108 -39.027 -27.549 1.00 0.00 H new ATOM 0 HG21 THR A 285 26.289 -38.331 -25.398 1.00 0.00 H new ATOM 0 HG22 THR A 285 27.513 -38.040 -24.139 1.00 0.00 H new ATOM 0 HG23 THR A 285 27.369 -36.922 -25.517 1.00 0.00 H new