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= -0.0485 (180deg=-0.713) USER MOD Single : A 267 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 270 LYS NZ :NH3+ -166:sc= -0.0066 (180deg=-0.295) 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) USER MOD Single : A 277 THR OG1 : rot 180:sc= -0.0929 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 USER MOD Single : A 280 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.137) USER MOD Single : A 281 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 282 GLN : amide:sc= -1.57! C(o=-1.6!,f=-2!) 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 -11.721 -19.290 2.287 1.00 0.00 N ATOM 11 CA PRO A 259 -11.060 -19.555 3.603 1.00 0.00 C ATOM 12 C PRO A 259 -9.766 -20.353 3.450 1.00 0.00 C ATOM 13 O PRO A 259 -8.729 -19.982 4.010 1.00 0.00 O ATOM 14 CB PRO A 259 -12.123 -20.359 4.361 1.00 0.00 C ATOM 15 CG PRO A 259 -13.431 -20.334 3.564 1.00 0.00 C ATOM 16 CD PRO A 259 -13.166 -19.690 2.201 1.00 0.00 C ATOM 0 HA PRO A 259 -10.757 -18.641 4.113 1.00 0.00 H new ATOM 0 HB2 PRO A 259 -11.788 -21.387 4.502 1.00 0.00 H new ATOM 0 HB3 PRO A 259 -12.279 -19.935 5.353 1.00 0.00 H new ATOM 0 HG2 PRO A 259 -13.814 -21.346 3.435 1.00 0.00 H new ATOM 0 HG3 PRO A 259 -14.192 -19.772 4.105 1.00 0.00 H new ATOM 0 HD2 PRO A 259 -13.342 -20.389 1.384 1.00 0.00 H new ATOM 0 HD3 PRO A 259 -13.813 -18.830 2.029 1.00 0.00 H new ATOM 24 N ARG A 260 -9.817 -21.441 2.714 1.00 0.00 N ATOM 25 CA ARG A 260 -8.606 -22.292 2.515 1.00 0.00 C ATOM 26 C ARG A 260 -7.541 -21.509 1.730 1.00 0.00 C ATOM 27 O ARG A 260 -7.644 -20.287 1.582 1.00 0.00 O ATOM 28 CB ARG A 260 -9.006 -23.618 1.814 1.00 0.00 C ATOM 29 CG ARG A 260 -9.314 -23.431 0.304 1.00 0.00 C ATOM 30 CD ARG A 260 -10.805 -23.160 0.074 1.00 0.00 C ATOM 31 NE ARG A 260 -11.092 -23.074 -1.397 1.00 0.00 N ATOM 32 CZ ARG A 260 -12.325 -23.156 -1.878 1.00 0.00 C ATOM 33 NH1 ARG A 260 -12.511 -23.070 -3.168 1.00 0.00 N ATOM 34 NH2 ARG A 260 -13.369 -23.325 -1.094 1.00 0.00 N ATOM 0 H ARG A 260 -10.656 -21.775 2.240 1.00 0.00 H new ATOM 0 HA ARG A 260 -8.169 -22.554 3.479 1.00 0.00 H new ATOM 0 HB2 ARG A 260 -8.199 -24.342 1.929 1.00 0.00 H new ATOM 0 HB3 ARG A 260 -9.882 -24.036 2.310 1.00 0.00 H new ATOM 0 HG2 ARG A 260 -8.726 -22.603 -0.090 1.00 0.00 H new ATOM 0 HG3 ARG A 260 -9.015 -24.324 -0.245 1.00 0.00 H new ATOM 0 HD2 ARG A 260 -11.401 -23.955 0.523 1.00 0.00 H new ATOM 0 HD3 ARG A 260 -11.094 -22.230 0.564 1.00 0.00 H new ATOM 0 HE ARG A 260 -10.315 -22.949 -2.046 1.00 0.00 H new ATOM 0 HH11 ARG A 260 -11.714 -22.942 -3.791 1.00 0.00 H new ATOM 0 HH12 ARG A 260 -13.454 -23.131 -3.553 1.00 0.00 H new ATOM 0 HH21 ARG A 260 -13.242 -23.397 -0.084 1.00 0.00 H new ATOM 0 HH22 ARG A 260 -14.305 -23.384 -1.496 1.00 0.00 H new ATOM 48 N LEU A 261 -6.535 -22.193 1.222 1.00 0.00 N ATOM 49 CA LEU A 261 -5.458 -21.515 0.434 1.00 0.00 C ATOM 50 C LEU A 261 -5.469 -22.064 -0.986 1.00 0.00 C ATOM 51 O LEU A 261 -6.103 -23.091 -1.254 1.00 0.00 O ATOM 52 CB LEU A 261 -4.077 -21.744 1.081 1.00 0.00 C ATOM 53 CG LEU A 261 -3.781 -23.256 1.256 1.00 0.00 C ATOM 54 CD1 LEU A 261 -3.214 -23.850 -0.049 1.00 0.00 C ATOM 55 CD2 LEU A 261 -2.758 -23.448 2.386 1.00 0.00 C ATOM 0 H LEU A 261 -6.418 -23.201 1.323 1.00 0.00 H new ATOM 0 HA LEU A 261 -5.646 -20.441 0.419 1.00 0.00 H new ATOM 0 HB2 LEU A 261 -3.303 -21.289 0.463 1.00 0.00 H new ATOM 0 HB3 LEU A 261 -4.041 -21.249 2.052 1.00 0.00 H new ATOM 0 HG LEU A 261 -4.711 -23.769 1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 261 -3.012 -24.912 0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 261 -3.940 -23.722 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 261 -2.289 -23.336 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 261 -2.549 -24.510 2.511 1.00 0.00 H new ATOM 0 HD22 LEU A 261 -1.836 -22.923 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 261 -3.163 -23.047 3.315 1.00 0.00 H new ATOM 67 N ARG A 262 -4.773 -21.416 -1.894 1.00 0.00 N ATOM 68 CA ARG A 262 -4.719 -21.901 -3.310 1.00 0.00 C ATOM 69 C ARG A 262 -3.268 -22.236 -3.655 1.00 0.00 C ATOM 70 O ARG A 262 -2.386 -22.139 -2.795 1.00 0.00 O ATOM 71 CB ARG A 262 -5.271 -20.823 -4.261 1.00 0.00 C ATOM 72 CG ARG A 262 -5.808 -21.467 -5.568 1.00 0.00 C ATOM 73 CD ARG A 262 -7.087 -20.764 -6.062 1.00 0.00 C ATOM 74 NE ARG A 262 -8.275 -21.658 -5.851 1.00 0.00 N ATOM 75 CZ ARG A 262 -9.519 -21.206 -5.931 1.00 0.00 C ATOM 76 NH1 ARG A 262 -10.509 -22.037 -5.746 1.00 0.00 N ATOM 77 NH2 ARG A 262 -9.784 -19.944 -6.190 1.00 0.00 N ATOM 0 H ARG A 262 -4.238 -20.567 -1.712 1.00 0.00 H new ATOM 0 HA ARG A 262 -5.334 -22.794 -3.423 1.00 0.00 H new ATOM 0 HB2 ARG A 262 -6.070 -20.270 -3.767 1.00 0.00 H new ATOM 0 HB3 ARG A 262 -4.486 -20.105 -4.499 1.00 0.00 H new ATOM 0 HG2 ARG A 262 -5.042 -21.415 -6.341 1.00 0.00 H new ATOM 0 HG3 ARG A 262 -6.016 -22.523 -5.395 1.00 0.00 H new ATOM 0 HD2 ARG A 262 -7.227 -19.826 -5.525 1.00 0.00 H new ATOM 0 HD3 ARG A 262 -6.991 -20.516 -7.119 1.00 0.00 H new ATOM 0 HE ARG A 262 -8.120 -22.644 -5.640 1.00 0.00 H new ATOM 0 HH11 ARG A 262 -10.320 -23.019 -5.543 1.00 0.00 H new ATOM 0 HH12 ARG A 262 -11.472 -21.705 -5.804 1.00 0.00 H new ATOM 0 HH21 ARG A 262 -9.022 -19.282 -6.336 1.00 0.00 H new ATOM 0 HH22 ARG A 262 -10.752 -19.627 -6.245 1.00 0.00 H new ATOM 91 N LYS A 263 -3.006 -22.640 -4.882 1.00 0.00 N ATOM 92 CA LYS A 263 -1.616 -23.000 -5.299 1.00 0.00 C ATOM 93 C LYS A 263 -0.661 -21.842 -4.995 1.00 0.00 C ATOM 94 O LYS A 263 -1.070 -20.812 -4.448 1.00 0.00 O ATOM 95 CB LYS A 263 -1.590 -23.350 -6.797 1.00 0.00 C ATOM 96 CG LYS A 263 -2.091 -22.162 -7.636 1.00 0.00 C ATOM 97 CD LYS A 263 -1.987 -22.491 -9.130 1.00 0.00 C ATOM 98 CE LYS A 263 -0.521 -22.434 -9.576 1.00 0.00 C ATOM 99 NZ LYS A 263 -0.448 -22.541 -11.060 1.00 0.00 N ATOM 0 H LYS A 263 -3.708 -22.735 -5.616 1.00 0.00 H new ATOM 0 HA LYS A 263 -1.288 -23.873 -4.736 1.00 0.00 H new ATOM 0 HB2 LYS A 263 -0.576 -23.613 -7.098 1.00 0.00 H new ATOM 0 HB3 LYS A 263 -2.215 -24.224 -6.983 1.00 0.00 H new ATOM 0 HG2 LYS A 263 -3.125 -21.934 -7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 263 -1.502 -21.273 -7.410 1.00 0.00 H new ATOM 0 HD2 LYS A 263 -2.396 -23.483 -9.322 1.00 0.00 H new ATOM 0 HD3 LYS A 263 -2.580 -21.783 -9.709 1.00 0.00 H new ATOM 0 HE2 LYS A 263 -0.065 -21.501 -9.245 1.00 0.00 H new ATOM 0 HE3 LYS A 263 0.042 -23.245 -9.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 263 0.546 -22.502 -11.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 263 -0.868 -23.443 -11.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 263 -0.972 -21.753 -11.491 1.00 0.00 H new ATOM 113 N GLY A 264 0.598 -22.002 -5.330 1.00 0.00 N ATOM 114 CA GLY A 264 1.615 -20.938 -5.058 1.00 0.00 C ATOM 115 C GLY A 264 2.424 -21.312 -3.814 1.00 0.00 C ATOM 116 O GLY A 264 2.920 -20.431 -3.104 1.00 0.00 O ATOM 0 H GLY A 264 0.968 -22.836 -5.786 1.00 0.00 H new ATOM 0 HA2 GLY A 264 2.278 -20.826 -5.916 1.00 0.00 H new ATOM 0 HA3 GLY A 264 1.121 -19.978 -4.909 1.00 0.00 H new ATOM 120 N ARG A 265 2.561 -22.596 -3.537 1.00 0.00 N ATOM 121 CA ARG A 265 3.334 -23.048 -2.337 1.00 0.00 C ATOM 122 C ARG A 265 4.792 -22.618 -2.475 1.00 0.00 C ATOM 123 O ARG A 265 5.201 -22.108 -3.522 1.00 0.00 O ATOM 124 CB ARG A 265 3.246 -24.578 -2.184 1.00 0.00 C ATOM 125 CG ARG A 265 3.761 -25.275 -3.452 1.00 0.00 C ATOM 126 CD ARG A 265 3.865 -26.780 -3.202 1.00 0.00 C ATOM 127 NE ARG A 265 4.557 -27.451 -4.354 1.00 0.00 N ATOM 128 CZ ARG A 265 5.032 -28.686 -4.266 1.00 0.00 C ATOM 129 NH1 ARG A 265 5.633 -29.208 -5.299 1.00 0.00 N ATOM 130 NH2 ARG A 265 4.914 -29.400 -3.167 1.00 0.00 N ATOM 0 H ARG A 265 2.165 -23.350 -4.098 1.00 0.00 H new ATOM 0 HA ARG A 265 2.905 -22.588 -1.447 1.00 0.00 H new ATOM 0 HB2 ARG A 265 3.832 -24.898 -1.322 1.00 0.00 H new ATOM 0 HB3 ARG A 265 2.214 -24.872 -1.994 1.00 0.00 H new ATOM 0 HG2 ARG A 265 3.087 -25.080 -4.286 1.00 0.00 H new ATOM 0 HG3 ARG A 265 4.736 -24.874 -3.730 1.00 0.00 H new ATOM 0 HD2 ARG A 265 4.416 -26.966 -2.280 1.00 0.00 H new ATOM 0 HD3 ARG A 265 2.869 -27.204 -3.070 1.00 0.00 H new ATOM 0 HE ARG A 265 4.665 -26.941 -5.231 1.00 0.00 H new ATOM 0 HH11 ARG A 265 5.732 -28.667 -6.158 1.00 0.00 H new ATOM 0 HH12 ARG A 265 6.004 -30.157 -5.248 1.00 0.00 H new ATOM 0 HH21 ARG A 265 4.446 -29.006 -2.351 1.00 0.00 H new ATOM 0 HH22 ARG A 265 5.290 -30.347 -3.131 1.00 0.00 H new ATOM 144 N MET A 266 5.576 -22.817 -1.439 1.00 0.00 N ATOM 145 CA MET A 266 7.019 -22.432 -1.479 1.00 0.00 C ATOM 146 C MET A 266 7.711 -23.141 -2.641 1.00 0.00 C ATOM 147 O MET A 266 8.055 -24.323 -2.539 1.00 0.00 O ATOM 148 CB MET A 266 7.702 -22.821 -0.164 1.00 0.00 C ATOM 149 CG MET A 266 7.243 -21.880 0.952 1.00 0.00 C ATOM 150 SD MET A 266 7.950 -22.420 2.529 1.00 0.00 S ATOM 151 CE MET A 266 9.661 -21.937 2.192 1.00 0.00 C ATOM 0 H MET A 266 5.271 -23.234 -0.560 1.00 0.00 H new ATOM 0 HA MET A 266 7.093 -21.353 -1.616 1.00 0.00 H new ATOM 0 HB2 MET A 266 7.458 -23.852 0.093 1.00 0.00 H new ATOM 0 HB3 MET A 266 8.785 -22.768 -0.276 1.00 0.00 H new ATOM 0 HG2 MET A 266 7.555 -20.859 0.732 1.00 0.00 H new ATOM 0 HG3 MET A 266 6.155 -21.874 1.012 1.00 0.00 H new ATOM 0 HE1 MET A 266 10.196 -21.811 3.133 1.00 0.00 H new ATOM 0 HE2 MET A 266 10.148 -22.711 1.599 1.00 0.00 H new ATOM 0 HE3 MET A 266 9.672 -20.997 1.640 1.00 0.00 H new ATOM 161 N MET A 267 7.931 -22.438 -3.731 1.00 0.00 N ATOM 162 CA MET A 267 8.620 -23.045 -4.915 1.00 0.00 C ATOM 163 C MET A 267 10.113 -22.687 -4.816 1.00 0.00 C ATOM 164 O MET A 267 10.618 -22.504 -3.704 1.00 0.00 O ATOM 165 CB MET A 267 7.996 -22.511 -6.223 1.00 0.00 C ATOM 166 CG MET A 267 6.501 -22.846 -6.276 1.00 0.00 C ATOM 167 SD MET A 267 5.930 -22.781 -7.994 1.00 0.00 S ATOM 168 CE MET A 267 6.197 -24.525 -8.395 1.00 0.00 C ATOM 0 H MET A 267 7.660 -21.462 -3.850 1.00 0.00 H new ATOM 0 HA MET A 267 8.503 -24.129 -4.923 1.00 0.00 H new ATOM 0 HB2 MET A 267 8.136 -21.432 -6.286 1.00 0.00 H new ATOM 0 HB3 MET A 267 8.504 -22.949 -7.082 1.00 0.00 H new ATOM 0 HG2 MET A 267 6.324 -23.838 -5.860 1.00 0.00 H new ATOM 0 HG3 MET A 267 5.937 -22.140 -5.667 1.00 0.00 H new ATOM 0 HE1 MET A 267 5.904 -24.710 -9.429 1.00 0.00 H new ATOM 0 HE2 MET A 267 7.251 -24.771 -8.267 1.00 0.00 H new ATOM 0 HE3 MET A 267 5.596 -25.147 -7.731 1.00 0.00 H new ATOM 178 N ASP A 268 10.828 -22.578 -5.926 1.00 0.00 N ATOM 179 CA ASP A 268 12.280 -22.217 -5.863 1.00 0.00 C ATOM 180 C ASP A 268 12.411 -20.825 -5.244 1.00 0.00 C ATOM 181 O ASP A 268 12.357 -19.810 -5.952 1.00 0.00 O ATOM 182 CB ASP A 268 12.899 -22.225 -7.268 1.00 0.00 C ATOM 183 CG ASP A 268 12.064 -21.369 -8.215 1.00 0.00 C ATOM 184 OD1 ASP A 268 12.463 -20.244 -8.471 1.00 0.00 O ATOM 185 OD2 ASP A 268 11.040 -21.850 -8.670 1.00 0.00 O ATOM 0 H ASP A 268 10.462 -22.725 -6.867 1.00 0.00 H new ATOM 0 HA ASP A 268 12.810 -22.949 -5.254 1.00 0.00 H new ATOM 0 HB2 ASP A 268 13.920 -21.845 -7.226 1.00 0.00 H new ATOM 0 HB3 ASP A 268 12.955 -23.247 -7.643 1.00 0.00 H new ATOM 190 N VAL A 269 12.572 -20.758 -3.941 1.00 0.00 N ATOM 191 CA VAL A 269 12.701 -19.439 -3.246 1.00 0.00 C ATOM 192 C VAL A 269 14.142 -19.261 -2.773 1.00 0.00 C ATOM 193 O VAL A 269 14.722 -18.179 -2.917 1.00 0.00 O ATOM 194 CB VAL A 269 11.724 -19.353 -2.056 1.00 0.00 C ATOM 195 CG1 VAL A 269 10.284 -19.437 -2.570 1.00 0.00 C ATOM 196 CG2 VAL A 269 11.973 -20.503 -1.069 1.00 0.00 C ATOM 0 H VAL A 269 12.620 -21.570 -3.326 1.00 0.00 H new ATOM 0 HA VAL A 269 12.448 -18.639 -3.942 1.00 0.00 H new ATOM 0 HB VAL A 269 11.884 -18.405 -1.543 1.00 0.00 H new ATOM 0 HG11 VAL A 269 9.593 -19.376 -1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 269 10.094 -18.612 -3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 269 10.138 -20.383 -3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 269 11.274 -20.425 -0.236 1.00 0.00 H new ATOM 0 HG22 VAL A 269 11.828 -21.456 -1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 269 12.994 -20.445 -0.692 1.00 0.00 H new ATOM 206 N LYS A 270 14.729 -20.303 -2.226 1.00 0.00 N ATOM 207 CA LYS A 270 16.150 -20.223 -1.746 1.00 0.00 C ATOM 208 C LYS A 270 17.120 -20.467 -2.912 1.00 0.00 C ATOM 209 O LYS A 270 18.329 -20.251 -2.767 1.00 0.00 O ATOM 210 CB LYS A 270 16.402 -21.269 -0.657 1.00 0.00 C ATOM 211 CG LYS A 270 15.713 -20.846 0.641 1.00 0.00 C ATOM 212 CD LYS A 270 15.999 -21.881 1.730 1.00 0.00 C ATOM 213 CE LYS A 270 15.224 -21.517 2.997 1.00 0.00 C ATOM 214 NZ LYS A 270 15.756 -20.241 3.554 1.00 0.00 N ATOM 0 H LYS A 270 14.282 -21.210 -2.091 1.00 0.00 H new ATOM 0 HA LYS A 270 16.317 -19.226 -1.337 1.00 0.00 H new ATOM 0 HB2 LYS A 270 16.025 -22.240 -0.979 1.00 0.00 H new ATOM 0 HB3 LYS A 270 17.473 -21.382 -0.490 1.00 0.00 H new ATOM 0 HG2 LYS A 270 16.072 -19.865 0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 270 14.638 -20.756 0.482 1.00 0.00 H new ATOM 0 HD2 LYS A 270 15.710 -22.874 1.387 1.00 0.00 H new ATOM 0 HD3 LYS A 270 17.068 -21.915 1.942 1.00 0.00 H new ATOM 0 HE2 LYS A 270 14.163 -21.413 2.770 1.00 0.00 H new ATOM 0 HE3 LYS A 270 15.316 -22.315 3.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 270 15.405 -20.113 4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 270 16.795 -20.273 3.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 270 15.439 -19.446 2.964 1.00 0.00 H new ATOM 228 N LYS A 271 16.625 -20.913 -4.052 1.00 0.00 N ATOM 229 CA LYS A 271 17.509 -21.181 -5.226 1.00 0.00 C ATOM 230 C LYS A 271 17.760 -19.884 -5.982 1.00 0.00 C ATOM 231 O LYS A 271 17.183 -18.839 -5.656 1.00 0.00 O ATOM 232 CB LYS A 271 16.840 -22.186 -6.171 1.00 0.00 C ATOM 233 CG LYS A 271 17.053 -23.618 -5.663 1.00 0.00 C ATOM 234 CD LYS A 271 16.398 -24.612 -6.632 1.00 0.00 C ATOM 235 CE LYS A 271 17.254 -24.744 -7.899 1.00 0.00 C ATOM 236 NZ LYS A 271 16.763 -25.887 -8.725 1.00 0.00 N ATOM 0 H LYS A 271 15.636 -21.102 -4.213 1.00 0.00 H new ATOM 0 HA LYS A 271 18.453 -21.592 -4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 271 15.773 -21.973 -6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 271 17.254 -22.083 -7.174 1.00 0.00 H new ATOM 0 HG2 LYS A 271 18.119 -23.829 -5.576 1.00 0.00 H new ATOM 0 HG3 LYS A 271 16.624 -23.729 -4.667 1.00 0.00 H new ATOM 0 HD2 LYS A 271 16.290 -25.585 -6.152 1.00 0.00 H new ATOM 0 HD3 LYS A 271 15.396 -24.273 -6.893 1.00 0.00 H new ATOM 0 HE2 LYS A 271 17.210 -23.821 -8.477 1.00 0.00 H new ATOM 0 HE3 LYS A 271 18.298 -24.901 -7.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 271 17.346 -25.972 -9.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 271 16.827 -26.767 -8.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 271 15.773 -25.720 -8.995 1.00 0.00 H new ATOM 250 N CYS A 272 18.599 -19.939 -6.992 1.00 0.00 N ATOM 251 CA CYS A 272 18.902 -18.724 -7.810 1.00 0.00 C ATOM 252 C CYS A 272 17.638 -18.286 -8.551 1.00 0.00 C ATOM 253 O CYS A 272 17.429 -17.090 -8.780 1.00 0.00 O ATOM 254 CB CYS A 272 20.009 -19.036 -8.820 1.00 0.00 C ATOM 255 SG CYS A 272 21.625 -18.780 -8.046 1.00 0.00 S ATOM 0 H CYS A 272 19.090 -20.784 -7.285 1.00 0.00 H new ATOM 0 HA CYS A 272 19.238 -17.922 -7.153 1.00 0.00 H new ATOM 0 HB2 CYS A 272 19.919 -20.065 -9.167 1.00 0.00 H new ATOM 0 HB3 CYS A 272 19.908 -18.395 -9.696 1.00 0.00 H new ATOM 0 HG CYS A 272 22.564 -19.047 -8.904 1.00 0.00 H new ATOM 261 N GLY A 273 16.799 -19.230 -8.928 1.00 0.00 N ATOM 262 CA GLY A 273 15.540 -18.894 -9.660 1.00 0.00 C ATOM 263 C GLY A 273 15.800 -18.950 -11.158 1.00 0.00 C ATOM 264 O GLY A 273 15.377 -18.065 -11.910 1.00 0.00 O ATOM 0 H GLY A 273 16.939 -20.225 -8.756 1.00 0.00 H new ATOM 0 HA2 GLY A 273 14.750 -19.595 -9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 273 15.195 -17.900 -9.376 1.00 0.00 H new ATOM 268 N ILE A 274 16.493 -19.972 -11.593 1.00 0.00 N ATOM 269 CA ILE A 274 16.819 -20.131 -13.045 1.00 0.00 C ATOM 270 C ILE A 274 15.525 -20.367 -13.814 1.00 0.00 C ATOM 271 O ILE A 274 14.762 -21.286 -13.498 1.00 0.00 O ATOM 272 CB ILE A 274 17.794 -21.311 -13.252 1.00 0.00 C ATOM 273 CG1 ILE A 274 19.048 -21.074 -12.371 1.00 0.00 C ATOM 274 CG2 ILE A 274 18.183 -21.412 -14.747 1.00 0.00 C ATOM 275 CD1 ILE A 274 20.082 -22.203 -12.532 1.00 0.00 C ATOM 0 H ILE A 274 16.853 -20.715 -10.994 1.00 0.00 H new ATOM 0 HA ILE A 274 17.304 -19.227 -13.414 1.00 0.00 H new ATOM 0 HB ILE A 274 17.322 -22.249 -12.962 1.00 0.00 H new ATOM 0 HG12 ILE A 274 19.505 -20.121 -12.639 1.00 0.00 H new ATOM 0 HG13 ILE A 274 18.749 -21.001 -11.325 1.00 0.00 H new ATOM 0 HG21 ILE A 274 18.871 -22.246 -14.888 1.00 0.00 H new ATOM 0 HG22 ILE A 274 17.287 -21.575 -15.346 1.00 0.00 H new ATOM 0 HG23 ILE A 274 18.665 -20.486 -15.061 1.00 0.00 H new ATOM 0 HD11 ILE A 274 20.945 -21.999 -11.898 1.00 0.00 H new ATOM 0 HD12 ILE A 274 19.633 -23.152 -12.239 1.00 0.00 H new ATOM 0 HD13 ILE A 274 20.401 -22.258 -13.573 1.00 0.00 H new ATOM 287 N GLN A 275 15.276 -19.556 -14.816 1.00 0.00 N ATOM 288 CA GLN A 275 14.035 -19.711 -15.635 1.00 0.00 C ATOM 289 C GLN A 275 14.408 -20.291 -16.993 1.00 0.00 C ATOM 290 O GLN A 275 15.589 -20.334 -17.352 1.00 0.00 O ATOM 291 CB GLN A 275 13.349 -18.356 -15.820 1.00 0.00 C ATOM 292 CG GLN A 275 12.821 -17.862 -14.471 1.00 0.00 C ATOM 293 CD GLN A 275 12.147 -16.506 -14.643 1.00 0.00 C ATOM 294 OE1 GLN A 275 12.809 -15.520 -14.968 1.00 0.00 O ATOM 295 NE2 GLN A 275 10.862 -16.397 -14.447 1.00 0.00 N ATOM 0 H GLN A 275 15.885 -18.789 -15.102 1.00 0.00 H new ATOM 0 HA GLN A 275 13.345 -20.381 -15.123 1.00 0.00 H new ATOM 0 HB2 GLN A 275 14.053 -17.634 -16.234 1.00 0.00 H new ATOM 0 HB3 GLN A 275 12.529 -18.446 -16.533 1.00 0.00 H new ATOM 0 HG2 GLN A 275 12.111 -18.582 -14.063 1.00 0.00 H new ATOM 0 HG3 GLN A 275 13.641 -17.783 -13.757 1.00 0.00 H new ATOM 0 HE21 GLN A 275 10.316 -17.215 -14.178 1.00 0.00 H new ATOM 0 HE22 GLN A 275 10.403 -15.493 -14.563 1.00 0.00 H new ATOM 304 N ASP A 276 13.428 -20.736 -17.747 1.00 0.00 N ATOM 305 CA ASP A 276 13.705 -21.323 -19.093 1.00 0.00 C ATOM 306 C ASP A 276 13.846 -20.188 -20.112 1.00 0.00 C ATOM 307 O ASP A 276 12.917 -19.895 -20.876 1.00 0.00 O ATOM 308 CB ASP A 276 12.570 -22.274 -19.494 1.00 0.00 C ATOM 309 CG ASP A 276 12.383 -23.345 -18.423 1.00 0.00 C ATOM 310 OD1 ASP A 276 11.413 -23.257 -17.689 1.00 0.00 O ATOM 311 OD2 ASP A 276 13.212 -24.237 -18.355 1.00 0.00 O ATOM 0 H ASP A 276 12.443 -20.716 -17.483 1.00 0.00 H new ATOM 0 HA ASP A 276 14.632 -21.895 -19.064 1.00 0.00 H new ATOM 0 HB2 ASP A 276 11.644 -21.714 -19.625 1.00 0.00 H new ATOM 0 HB3 ASP A 276 12.798 -22.742 -20.452 1.00 0.00 H new ATOM 316 N THR A 277 14.993 -19.546 -20.131 1.00 0.00 N ATOM 317 CA THR A 277 15.229 -18.422 -21.089 1.00 0.00 C ATOM 318 C THR A 277 15.629 -18.992 -22.445 1.00 0.00 C ATOM 319 O THR A 277 14.985 -18.708 -23.460 1.00 0.00 O ATOM 320 CB THR A 277 16.338 -17.504 -20.565 1.00 0.00 C ATOM 321 OG1 THR A 277 17.478 -18.283 -20.233 1.00 0.00 O ATOM 322 CG2 THR A 277 15.842 -16.763 -19.322 1.00 0.00 C ATOM 0 H THR A 277 15.780 -19.757 -19.518 1.00 0.00 H new ATOM 0 HA THR A 277 14.313 -17.840 -21.192 1.00 0.00 H new ATOM 0 HB THR A 277 16.606 -16.780 -21.334 1.00 0.00 H new ATOM 0 HG1 THR A 277 18.189 -17.697 -19.899 1.00 0.00 H new ATOM 0 HG21 THR A 277 16.631 -16.110 -18.949 1.00 0.00 H new ATOM 0 HG22 THR A 277 14.967 -16.165 -19.579 1.00 0.00 H new ATOM 0 HG23 THR A 277 15.574 -17.485 -18.551 1.00 0.00 H new ATOM 330 N ASN A 278 16.676 -19.789 -22.479 1.00 0.00 N ATOM 331 CA ASN A 278 17.142 -20.397 -23.764 1.00 0.00 C ATOM 332 C ASN A 278 17.232 -21.912 -23.597 1.00 0.00 C ATOM 333 O ASN A 278 16.541 -22.663 -24.294 1.00 0.00 O ATOM 334 CB ASN A 278 18.512 -19.832 -24.149 1.00 0.00 C ATOM 335 CG ASN A 278 18.337 -18.528 -24.919 1.00 0.00 C ATOM 336 OD1 ASN A 278 18.278 -17.455 -24.320 1.00 0.00 O ATOM 337 ND2 ASN A 278 18.248 -18.559 -26.220 1.00 0.00 N ATOM 0 H ASN A 278 17.230 -20.044 -21.661 1.00 0.00 H new ATOM 0 HA ASN A 278 16.432 -20.157 -24.556 1.00 0.00 H new ATOM 0 HB2 ASN A 278 19.108 -19.658 -23.253 1.00 0.00 H new ATOM 0 HB3 ASN A 278 19.055 -20.554 -24.758 1.00 0.00 H new ATOM 0 HD21 ASN A 278 18.129 -17.692 -26.744 1.00 0.00 H new ATOM 0 HD22 ASN A 278 18.297 -19.450 -26.713 1.00 0.00 H new ATOM 344 N SER A 279 18.064 -22.367 -22.685 1.00 0.00 N ATOM 345 CA SER A 279 18.219 -23.837 -22.442 1.00 0.00 C ATOM 346 C SER A 279 18.571 -24.543 -23.750 1.00 0.00 C ATOM 347 O SER A 279 17.684 -24.919 -24.526 1.00 0.00 O ATOM 348 CB SER A 279 16.922 -24.412 -21.870 1.00 0.00 C ATOM 349 OG SER A 279 16.559 -23.679 -20.708 1.00 0.00 O ATOM 0 H SER A 279 18.647 -21.774 -22.094 1.00 0.00 H new ATOM 0 HA SER A 279 19.023 -23.997 -21.723 1.00 0.00 H new ATOM 0 HB2 SER A 279 16.127 -24.356 -22.613 1.00 0.00 H new ATOM 0 HB3 SER A 279 17.055 -25.465 -21.623 1.00 0.00 H new ATOM 0 HG SER A 279 15.727 -24.043 -20.338 1.00 0.00 H new ATOM 355 N LYS A 280 19.848 -24.730 -24.005 1.00 0.00 N ATOM 356 CA LYS A 280 20.291 -25.416 -25.259 1.00 0.00 C ATOM 357 C LYS A 280 20.998 -26.716 -24.892 1.00 0.00 C ATOM 358 O LYS A 280 22.011 -26.698 -24.185 1.00 0.00 O ATOM 359 CB LYS A 280 21.247 -24.517 -26.044 1.00 0.00 C ATOM 360 CG LYS A 280 20.501 -23.270 -26.529 1.00 0.00 C ATOM 361 CD LYS A 280 21.424 -22.432 -27.427 1.00 0.00 C ATOM 362 CE LYS A 280 22.436 -21.659 -26.570 1.00 0.00 C ATOM 363 NZ LYS A 280 21.787 -20.435 -26.025 1.00 0.00 N ATOM 0 H LYS A 280 20.606 -24.433 -23.391 1.00 0.00 H new ATOM 0 HA LYS A 280 19.421 -25.629 -25.880 1.00 0.00 H new ATOM 0 HB2 LYS A 280 22.089 -24.227 -25.415 1.00 0.00 H new ATOM 0 HB3 LYS A 280 21.657 -25.061 -26.895 1.00 0.00 H new ATOM 0 HG2 LYS A 280 19.607 -23.561 -27.080 1.00 0.00 H new ATOM 0 HG3 LYS A 280 20.171 -22.677 -25.676 1.00 0.00 H new ATOM 0 HD2 LYS A 280 21.950 -23.081 -28.127 1.00 0.00 H new ATOM 0 HD3 LYS A 280 20.832 -21.736 -28.021 1.00 0.00 H new ATOM 0 HE2 LYS A 280 22.795 -22.288 -25.755 1.00 0.00 H new ATOM 0 HE3 LYS A 280 23.305 -21.387 -27.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 22.428 -19.623 -26.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 20.903 -20.252 -26.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 21.576 -20.574 -25.016 1.00 0.00 H new ATOM 377 N LYS A 281 20.485 -27.833 -25.354 1.00 0.00 N ATOM 378 CA LYS A 281 21.113 -29.156 -25.039 1.00 0.00 C ATOM 379 C LYS A 281 21.122 -30.031 -26.292 1.00 0.00 C ATOM 380 O LYS A 281 20.295 -29.848 -27.193 1.00 0.00 O ATOM 381 CB LYS A 281 20.348 -29.857 -23.902 1.00 0.00 C ATOM 382 CG LYS A 281 18.869 -30.034 -24.277 1.00 0.00 C ATOM 383 CD LYS A 281 18.125 -30.710 -23.123 1.00 0.00 C ATOM 384 CE LYS A 281 16.733 -31.152 -23.594 1.00 0.00 C ATOM 385 NZ LYS A 281 15.822 -29.969 -23.684 1.00 0.00 N ATOM 0 H LYS A 281 19.652 -27.884 -25.940 1.00 0.00 H new ATOM 0 HA LYS A 281 22.139 -28.993 -24.710 1.00 0.00 H new ATOM 0 HB2 LYS A 281 20.797 -30.830 -23.700 1.00 0.00 H new ATOM 0 HB3 LYS A 281 20.429 -29.272 -22.986 1.00 0.00 H new ATOM 0 HG2 LYS A 281 18.420 -29.065 -24.495 1.00 0.00 H new ATOM 0 HG3 LYS A 281 18.782 -30.636 -25.182 1.00 0.00 H new ATOM 0 HD2 LYS A 281 18.690 -31.572 -22.768 1.00 0.00 H new ATOM 0 HD3 LYS A 281 18.034 -30.021 -22.283 1.00 0.00 H new ATOM 0 HE2 LYS A 281 16.807 -31.639 -24.566 1.00 0.00 H new ATOM 0 HE3 LYS A 281 16.322 -31.886 -22.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 14.882 -30.278 -24.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 15.740 -29.522 -22.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 16.210 -29.283 -24.363 1.00 0.00 H new ATOM 399 N GLN A 282 22.038 -30.972 -26.360 1.00 0.00 N ATOM 400 CA GLN A 282 22.127 -31.880 -27.546 1.00 0.00 C ATOM 401 C GLN A 282 22.149 -33.333 -27.067 1.00 0.00 C ATOM 402 O GLN A 282 23.187 -33.828 -26.617 1.00 0.00 O ATOM 403 CB GLN A 282 23.402 -31.573 -28.345 1.00 0.00 C ATOM 404 CG GLN A 282 23.326 -32.231 -29.729 1.00 0.00 C ATOM 405 CD GLN A 282 23.642 -33.718 -29.619 1.00 0.00 C ATOM 406 OE1 GLN A 282 24.652 -34.098 -29.028 1.00 0.00 O ATOM 407 NE2 GLN A 282 22.833 -34.588 -30.160 1.00 0.00 N ATOM 0 H GLN A 282 22.734 -31.149 -25.635 1.00 0.00 H new ATOM 0 HA GLN A 282 21.262 -31.723 -28.191 1.00 0.00 H new ATOM 0 HB2 GLN A 282 23.523 -30.495 -28.452 1.00 0.00 H new ATOM 0 HB3 GLN A 282 24.276 -31.940 -27.806 1.00 0.00 H new ATOM 0 HG2 GLN A 282 22.331 -32.093 -30.152 1.00 0.00 H new ATOM 0 HG3 GLN A 282 24.030 -31.751 -30.408 1.00 0.00 H new ATOM 0 HE21 GLN A 282 21.996 -34.271 -30.649 1.00 0.00 H new ATOM 0 HE22 GLN A 282 23.038 -35.585 -30.093 1.00 0.00 H new ATOM 416 N SER A 283 21.025 -34.015 -27.152 1.00 0.00 N ATOM 417 CA SER A 283 20.948 -35.448 -26.706 1.00 0.00 C ATOM 418 C SER A 283 20.256 -36.268 -27.793 1.00 0.00 C ATOM 419 O SER A 283 19.129 -35.949 -28.190 1.00 0.00 O ATOM 420 CB SER A 283 20.154 -35.545 -25.401 1.00 0.00 C ATOM 421 OG SER A 283 19.897 -36.912 -25.105 1.00 0.00 O ATOM 0 H SER A 283 20.151 -33.635 -27.515 1.00 0.00 H new ATOM 0 HA SER A 283 21.953 -35.834 -26.536 1.00 0.00 H new ATOM 0 HB2 SER A 283 20.713 -35.084 -24.587 1.00 0.00 H new ATOM 0 HB3 SER A 283 19.215 -34.998 -25.492 1.00 0.00 H new ATOM 0 HG SER A 283 19.390 -36.976 -24.269 1.00 0.00 H new ATOM 427 N ASP A 284 20.907 -37.302 -28.300 1.00 0.00 N ATOM 428 CA ASP A 284 20.294 -38.138 -29.391 1.00 0.00 C ATOM 429 C ASP A 284 19.939 -37.217 -30.565 1.00 0.00 C ATOM 430 O ASP A 284 20.153 -36.014 -30.462 1.00 0.00 O ATOM 431 CB ASP A 284 19.032 -38.846 -28.880 1.00 0.00 C ATOM 432 CG ASP A 284 19.386 -39.793 -27.735 1.00 0.00 C ATOM 433 OD1 ASP A 284 18.905 -39.567 -26.635 1.00 0.00 O ATOM 434 OD2 ASP A 284 20.126 -40.731 -27.974 1.00 0.00 O ATOM 0 H ASP A 284 21.836 -37.600 -28.003 1.00 0.00 H new ATOM 0 HA ASP A 284 21.004 -38.900 -29.712 1.00 0.00 H new ATOM 0 HB2 ASP A 284 18.305 -38.109 -28.540 1.00 0.00 H new ATOM 0 HB3 ASP A 284 18.565 -39.404 -29.692 1.00 0.00 H new ATOM 439 N THR A 285 19.385 -37.765 -31.651 1.00 0.00 N ATOM 440 CA THR A 285 18.986 -36.963 -32.894 1.00 0.00 C ATOM 441 C THR A 285 19.697 -35.578 -32.956 1.00 0.00 C ATOM 442 O THR A 285 20.861 -35.472 -32.546 1.00 0.00 O ATOM 443 CB THR A 285 17.441 -36.798 -32.905 1.00 0.00 C ATOM 444 OG1 THR A 285 16.830 -37.900 -32.246 1.00 0.00 O ATOM 445 CG2 THR A 285 16.920 -36.722 -34.347 1.00 0.00 C ATOM 0 H THR A 285 19.187 -38.763 -31.730 1.00 0.00 H new ATOM 0 HA THR A 285 19.308 -37.510 -33.780 1.00 0.00 H new ATOM 0 HB THR A 285 17.191 -35.874 -32.384 1.00 0.00 H new ATOM 0 HG1 THR A 285 15.856 -37.788 -32.255 1.00 0.00 H new ATOM 0 HG21 THR A 285 15.836 -36.607 -34.337 1.00 0.00 H new ATOM 0 HG22 THR A 285 17.371 -35.868 -34.852 1.00 0.00 H new ATOM 0 HG23 THR A 285 17.182 -37.637 -34.877 1.00 0.00 H new