USER MOD reduce.3.24.130724 H: found=0, std=0, add=229, rem=0, adj=7 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= -0.112 (180deg=-0.877) USER MOD Single : A 267 MET CE :methyl -122:sc= -0.0394 (180deg=-0.432) USER MOD Single : A 270 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.187 X(o=-0.19,f=-0.27) USER MOD Single : A 277 THR OG1 : rot 180:sc= 0 USER MOD Single : A 278 ASN : amide:sc= -0.092 X(o=-0.092,f=0) USER MOD Single : A 279 SER OG : rot 137:sc= 0.741 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=-0.36) USER MOD Single : A 283 SER OG : rot 180:sc= 0 USER MOD Single : A 285 THR OG1 : rot 180:sc= 0.00223 USER MOD ----------------------------------------------------------------- ATOM 10 N PRO A 259 -10.218 -19.553 6.142 1.00 0.00 N ATOM 11 CA PRO A 259 -8.892 -20.161 6.471 1.00 0.00 C ATOM 12 C PRO A 259 -8.314 -20.961 5.304 1.00 0.00 C ATOM 13 O PRO A 259 -7.092 -20.998 5.116 1.00 0.00 O ATOM 14 CB PRO A 259 -9.209 -21.066 7.668 1.00 0.00 C ATOM 15 CG PRO A 259 -10.708 -20.986 7.973 1.00 0.00 C ATOM 16 CD PRO A 259 -11.367 -20.019 6.989 1.00 0.00 C ATOM 0 HA PRO A 259 -8.132 -19.410 6.687 1.00 0.00 H new ATOM 0 HB2 PRO A 259 -8.924 -22.095 7.447 1.00 0.00 H new ATOM 0 HB3 PRO A 259 -8.631 -20.755 8.538 1.00 0.00 H new ATOM 0 HG2 PRO A 259 -11.162 -21.974 7.891 1.00 0.00 H new ATOM 0 HG3 PRO A 259 -10.866 -20.647 8.997 1.00 0.00 H new ATOM 0 HD2 PRO A 259 -12.133 -20.513 6.391 1.00 0.00 H new ATOM 0 HD3 PRO A 259 -11.850 -19.189 7.504 1.00 0.00 H new ATOM 24 N ARG A 260 -9.159 -21.609 4.528 1.00 0.00 N ATOM 25 CA ARG A 260 -8.669 -22.423 3.374 1.00 0.00 C ATOM 26 C ARG A 260 -7.805 -21.549 2.458 1.00 0.00 C ATOM 27 O ARG A 260 -8.003 -20.336 2.339 1.00 0.00 O ATOM 28 CB ARG A 260 -9.883 -23.085 2.641 1.00 0.00 C ATOM 29 CG ARG A 260 -9.569 -23.506 1.180 1.00 0.00 C ATOM 30 CD ARG A 260 -10.861 -23.548 0.358 1.00 0.00 C ATOM 31 NE ARG A 260 -10.546 -23.563 -1.108 1.00 0.00 N ATOM 32 CZ ARG A 260 -11.425 -23.974 -2.010 1.00 0.00 C ATOM 33 NH1 ARG A 260 -11.092 -23.955 -3.270 1.00 0.00 N ATOM 34 NH2 ARG A 260 -12.622 -24.404 -1.670 1.00 0.00 N ATOM 0 H ARG A 260 -10.172 -21.605 4.650 1.00 0.00 H new ATOM 0 HA ARG A 260 -8.033 -23.238 3.720 1.00 0.00 H new ATOM 0 HB2 ARG A 260 -10.202 -23.963 3.203 1.00 0.00 H new ATOM 0 HB3 ARG A 260 -10.720 -22.387 2.638 1.00 0.00 H new ATOM 0 HG2 ARG A 260 -8.867 -22.803 0.733 1.00 0.00 H new ATOM 0 HG3 ARG A 260 -9.090 -24.485 1.170 1.00 0.00 H new ATOM 0 HD2 ARG A 260 -11.439 -24.434 0.622 1.00 0.00 H new ATOM 0 HD3 ARG A 260 -11.479 -22.682 0.595 1.00 0.00 H new ATOM 0 HE ARG A 260 -9.628 -23.247 -1.420 1.00 0.00 H new ATOM 0 HH11 ARG A 260 -10.167 -23.627 -3.548 1.00 0.00 H new ATOM 0 HH12 ARG A 260 -11.756 -24.268 -3.978 1.00 0.00 H new ATOM 0 HH21 ARG A 260 -12.895 -24.427 -0.688 1.00 0.00 H new ATOM 0 HH22 ARG A 260 -13.276 -24.714 -2.389 1.00 0.00 H new ATOM 48 N LEU A 261 -6.848 -22.180 1.819 1.00 0.00 N ATOM 49 CA LEU A 261 -5.915 -21.474 0.890 1.00 0.00 C ATOM 50 C LEU A 261 -6.000 -22.118 -0.489 1.00 0.00 C ATOM 51 O LEU A 261 -6.650 -23.154 -0.658 1.00 0.00 O ATOM 52 CB LEU A 261 -4.466 -21.570 1.416 1.00 0.00 C ATOM 53 CG LEU A 261 -4.052 -23.048 1.662 1.00 0.00 C ATOM 54 CD1 LEU A 261 -3.555 -23.696 0.354 1.00 0.00 C ATOM 55 CD2 LEU A 261 -2.932 -23.103 2.712 1.00 0.00 C ATOM 0 H LEU A 261 -6.673 -23.181 1.907 1.00 0.00 H new ATOM 0 HA LEU A 261 -6.198 -20.423 0.827 1.00 0.00 H new ATOM 0 HB2 LEU A 261 -3.785 -21.114 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 261 -4.375 -21.005 2.344 1.00 0.00 H new ATOM 0 HG LEU A 261 -4.923 -23.597 2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 261 -3.270 -24.730 0.546 1.00 0.00 H new ATOM 0 HD12 LEU A 261 -4.351 -23.671 -0.390 1.00 0.00 H new ATOM 0 HD13 LEU A 261 -2.692 -23.145 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 261 -2.644 -24.140 2.883 1.00 0.00 H new ATOM 0 HD22 LEU A 261 -2.070 -22.541 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 261 -3.287 -22.667 3.646 1.00 0.00 H new ATOM 67 N ARG A 262 -5.336 -21.537 -1.464 1.00 0.00 N ATOM 68 CA ARG A 262 -5.336 -22.114 -2.844 1.00 0.00 C ATOM 69 C ARG A 262 -3.891 -22.428 -3.237 1.00 0.00 C ATOM 70 O ARG A 262 -2.969 -22.187 -2.451 1.00 0.00 O ATOM 71 CB ARG A 262 -5.966 -21.120 -3.837 1.00 0.00 C ATOM 72 CG ARG A 262 -6.428 -21.862 -5.115 1.00 0.00 C ATOM 73 CD ARG A 262 -7.680 -21.211 -5.729 1.00 0.00 C ATOM 74 NE ARG A 262 -8.848 -22.146 -5.590 1.00 0.00 N ATOM 75 CZ ARG A 262 -10.089 -21.768 -5.872 1.00 0.00 C ATOM 76 NH1 ARG A 262 -11.056 -22.639 -5.782 1.00 0.00 N ATOM 77 NH2 ARG A 262 -10.373 -20.534 -6.233 1.00 0.00 N ATOM 0 H ARG A 262 -4.791 -20.681 -1.359 1.00 0.00 H new ATOM 0 HA ARG A 262 -5.929 -23.029 -2.867 1.00 0.00 H new ATOM 0 HB2 ARG A 262 -6.815 -20.619 -3.372 1.00 0.00 H new ATOM 0 HB3 ARG A 262 -5.243 -20.347 -4.098 1.00 0.00 H new ATOM 0 HG2 ARG A 262 -5.621 -21.862 -5.848 1.00 0.00 H new ATOM 0 HG3 ARG A 262 -6.640 -22.904 -4.875 1.00 0.00 H new ATOM 0 HD2 ARG A 262 -7.895 -20.267 -5.229 1.00 0.00 H new ATOM 0 HD3 ARG A 262 -7.506 -20.983 -6.781 1.00 0.00 H new ATOM 0 HE ARG A 262 -8.682 -23.100 -5.269 1.00 0.00 H new ATOM 0 HH11 ARG A 262 -10.854 -23.598 -5.498 1.00 0.00 H new ATOM 0 HH12 ARG A 262 -12.014 -22.361 -5.996 1.00 0.00 H new ATOM 0 HH21 ARG A 262 -9.630 -19.839 -6.302 1.00 0.00 H new ATOM 0 HH22 ARG A 262 -11.336 -20.273 -6.444 1.00 0.00 H new ATOM 91 N LYS A 263 -3.676 -22.970 -4.420 1.00 0.00 N ATOM 92 CA LYS A 263 -2.295 -23.319 -4.877 1.00 0.00 C ATOM 93 C LYS A 263 -1.367 -22.110 -4.726 1.00 0.00 C ATOM 94 O LYS A 263 -1.800 -21.026 -4.321 1.00 0.00 O ATOM 95 CB LYS A 263 -2.328 -23.791 -6.341 1.00 0.00 C ATOM 96 CG LYS A 263 -2.923 -22.698 -7.244 1.00 0.00 C ATOM 97 CD LYS A 263 -2.902 -23.154 -8.708 1.00 0.00 C ATOM 98 CE LYS A 263 -1.473 -23.085 -9.255 1.00 0.00 C ATOM 99 NZ LYS A 263 -1.500 -23.238 -10.736 1.00 0.00 N ATOM 0 H LYS A 263 -4.412 -23.186 -5.092 1.00 0.00 H new ATOM 0 HA LYS A 263 -1.912 -24.130 -4.257 1.00 0.00 H new ATOM 0 HB2 LYS A 263 -1.319 -24.037 -6.673 1.00 0.00 H new ATOM 0 HB3 LYS A 263 -2.921 -24.702 -6.423 1.00 0.00 H new ATOM 0 HG2 LYS A 263 -3.946 -22.480 -6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 263 -2.354 -21.775 -7.134 1.00 0.00 H new ATOM 0 HD2 LYS A 263 -3.282 -24.173 -8.786 1.00 0.00 H new ATOM 0 HD3 LYS A 263 -3.560 -22.522 -9.304 1.00 0.00 H new ATOM 0 HE2 LYS A 263 -1.015 -22.134 -8.985 1.00 0.00 H new ATOM 0 HE3 LYS A 263 -0.863 -23.870 -8.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 263 -0.530 -23.191 -11.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 263 -1.921 -24.156 -10.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 263 -2.068 -22.473 -11.154 1.00 0.00 H new ATOM 113 N GLY A 264 -0.105 -22.289 -5.033 1.00 0.00 N ATOM 114 CA GLY A 264 0.889 -21.179 -4.904 1.00 0.00 C ATOM 115 C GLY A 264 1.792 -21.443 -3.695 1.00 0.00 C ATOM 116 O GLY A 264 2.331 -20.503 -3.100 1.00 0.00 O ATOM 0 H GLY A 264 0.283 -23.169 -5.372 1.00 0.00 H new ATOM 0 HA2 GLY A 264 1.489 -21.106 -5.811 1.00 0.00 H new ATOM 0 HA3 GLY A 264 0.373 -20.226 -4.786 1.00 0.00 H new ATOM 120 N ARG A 265 1.963 -22.698 -3.320 1.00 0.00 N ATOM 121 CA ARG A 265 2.827 -23.042 -2.147 1.00 0.00 C ATOM 122 C ARG A 265 4.262 -22.602 -2.424 1.00 0.00 C ATOM 123 O ARG A 265 4.586 -22.183 -3.538 1.00 0.00 O ATOM 124 CB ARG A 265 2.783 -24.556 -1.870 1.00 0.00 C ATOM 125 CG ARG A 265 3.207 -25.344 -3.118 1.00 0.00 C ATOM 126 CD ARG A 265 3.352 -26.824 -2.766 1.00 0.00 C ATOM 127 NE ARG A 265 2.011 -27.415 -2.440 1.00 0.00 N ATOM 128 CZ ARG A 265 1.820 -28.725 -2.361 1.00 0.00 C ATOM 129 NH1 ARG A 265 0.630 -29.177 -2.073 1.00 0.00 N ATOM 130 NH2 ARG A 265 2.798 -29.583 -2.564 1.00 0.00 N ATOM 0 H ARG A 265 1.535 -23.499 -3.784 1.00 0.00 H new ATOM 0 HA ARG A 265 2.452 -22.520 -1.266 1.00 0.00 H new ATOM 0 HB2 ARG A 265 3.444 -24.799 -1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 265 1.776 -24.848 -1.573 1.00 0.00 H new ATOM 0 HG2 ARG A 265 2.467 -25.219 -3.908 1.00 0.00 H new ATOM 0 HG3 ARG A 265 4.151 -24.957 -3.501 1.00 0.00 H new ATOM 0 HD2 ARG A 265 3.801 -27.361 -3.601 1.00 0.00 H new ATOM 0 HD3 ARG A 265 4.024 -26.939 -1.916 1.00 0.00 H new ATOM 0 HE ARG A 265 1.222 -26.790 -2.274 1.00 0.00 H new ATOM 0 HH11 ARG A 265 -0.138 -28.525 -1.912 1.00 0.00 H new ATOM 0 HH12 ARG A 265 0.468 -30.182 -2.009 1.00 0.00 H new ATOM 0 HH21 ARG A 265 3.734 -29.246 -2.789 1.00 0.00 H new ATOM 0 HH22 ARG A 265 2.620 -30.585 -2.496 1.00 0.00 H new ATOM 144 N MET A 266 5.116 -22.690 -1.430 1.00 0.00 N ATOM 145 CA MET A 266 6.546 -22.285 -1.601 1.00 0.00 C ATOM 146 C MET A 266 7.182 -23.097 -2.726 1.00 0.00 C ATOM 147 O MET A 266 7.156 -24.331 -2.705 1.00 0.00 O ATOM 148 CB MET A 266 7.315 -22.528 -0.299 1.00 0.00 C ATOM 149 CG MET A 266 6.837 -21.544 0.768 1.00 0.00 C ATOM 150 SD MET A 266 7.627 -21.936 2.349 1.00 0.00 S ATOM 151 CE MET A 266 9.308 -21.443 1.894 1.00 0.00 C ATOM 0 H MET A 266 4.878 -23.029 -0.498 1.00 0.00 H new ATOM 0 HA MET A 266 6.587 -21.225 -1.852 1.00 0.00 H new ATOM 0 HB2 MET A 266 7.161 -23.552 0.041 1.00 0.00 H new ATOM 0 HB3 MET A 266 8.385 -22.406 -0.468 1.00 0.00 H new ATOM 0 HG2 MET A 266 7.080 -20.524 0.471 1.00 0.00 H new ATOM 0 HG3 MET A 266 5.753 -21.598 0.868 1.00 0.00 H new ATOM 0 HE1 MET A 266 9.870 -21.194 2.794 1.00 0.00 H new ATOM 0 HE2 MET A 266 9.800 -22.265 1.375 1.00 0.00 H new ATOM 0 HE3 MET A 266 9.267 -20.573 1.239 1.00 0.00 H new ATOM 161 N MET A 267 7.763 -22.423 -3.694 1.00 0.00 N ATOM 162 CA MET A 267 8.432 -23.123 -4.836 1.00 0.00 C ATOM 163 C MET A 267 9.936 -22.797 -4.763 1.00 0.00 C ATOM 164 O MET A 267 10.451 -22.554 -3.666 1.00 0.00 O ATOM 165 CB MET A 267 7.818 -22.661 -6.175 1.00 0.00 C ATOM 166 CG MET A 267 6.317 -22.957 -6.199 1.00 0.00 C ATOM 167 SD MET A 267 5.658 -22.597 -7.846 1.00 0.00 S ATOM 168 CE MET A 267 6.256 -24.093 -8.677 1.00 0.00 C ATOM 0 H MET A 267 7.801 -21.405 -3.740 1.00 0.00 H new ATOM 0 HA MET A 267 8.287 -24.201 -4.773 1.00 0.00 H new ATOM 0 HB2 MET A 267 7.988 -21.593 -6.312 1.00 0.00 H new ATOM 0 HB3 MET A 267 8.310 -23.170 -7.004 1.00 0.00 H new ATOM 0 HG2 MET A 267 6.137 -24.001 -5.944 1.00 0.00 H new ATOM 0 HG3 MET A 267 5.804 -22.353 -5.450 1.00 0.00 H new ATOM 0 HE1 MET A 267 6.892 -23.813 -9.517 1.00 0.00 H new ATOM 0 HE2 MET A 267 6.829 -24.696 -7.973 1.00 0.00 H new ATOM 0 HE3 MET A 267 5.407 -24.671 -9.042 1.00 0.00 H new ATOM 178 N ASP A 268 10.647 -22.775 -5.881 1.00 0.00 N ATOM 179 CA ASP A 268 12.108 -22.449 -5.848 1.00 0.00 C ATOM 180 C ASP A 268 12.265 -20.984 -5.446 1.00 0.00 C ATOM 181 O ASP A 268 12.352 -20.091 -6.300 1.00 0.00 O ATOM 182 CB ASP A 268 12.743 -22.698 -7.223 1.00 0.00 C ATOM 183 CG ASP A 268 12.448 -24.121 -7.683 1.00 0.00 C ATOM 184 OD1 ASP A 268 12.874 -25.042 -7.006 1.00 0.00 O ATOM 185 OD2 ASP A 268 11.801 -24.270 -8.707 1.00 0.00 O ATOM 0 H ASP A 268 10.271 -22.970 -6.809 1.00 0.00 H new ATOM 0 HA ASP A 268 12.615 -23.088 -5.125 1.00 0.00 H new ATOM 0 HB2 ASP A 268 12.352 -21.984 -7.948 1.00 0.00 H new ATOM 0 HB3 ASP A 268 13.820 -22.540 -7.169 1.00 0.00 H new ATOM 190 N VAL A 269 12.286 -20.721 -4.157 1.00 0.00 N ATOM 191 CA VAL A 269 12.422 -19.318 -3.659 1.00 0.00 C ATOM 192 C VAL A 269 13.862 -19.084 -3.205 1.00 0.00 C ATOM 193 O VAL A 269 14.456 -18.046 -3.512 1.00 0.00 O ATOM 194 CB VAL A 269 11.428 -19.057 -2.508 1.00 0.00 C ATOM 195 CG1 VAL A 269 9.996 -19.282 -3.005 1.00 0.00 C ATOM 196 CG2 VAL A 269 11.699 -20.010 -1.335 1.00 0.00 C ATOM 0 H VAL A 269 12.214 -21.428 -3.425 1.00 0.00 H new ATOM 0 HA VAL A 269 12.187 -18.620 -4.463 1.00 0.00 H new ATOM 0 HB VAL A 269 11.553 -18.028 -2.171 1.00 0.00 H new ATOM 0 HG11 VAL A 269 9.295 -19.097 -2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 269 9.785 -18.599 -3.828 1.00 0.00 H new ATOM 0 HG13 VAL A 269 9.888 -20.310 -3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 269 10.988 -19.811 -0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 269 11.588 -21.041 -1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 269 12.713 -19.855 -0.968 1.00 0.00 H new ATOM 206 N LYS A 270 14.433 -20.036 -2.496 1.00 0.00 N ATOM 207 CA LYS A 270 15.851 -19.899 -2.022 1.00 0.00 C ATOM 208 C LYS A 270 16.830 -20.266 -3.150 1.00 0.00 C ATOM 209 O LYS A 270 18.043 -20.096 -2.995 1.00 0.00 O ATOM 210 CB LYS A 270 16.102 -20.818 -0.824 1.00 0.00 C ATOM 211 CG LYS A 270 15.337 -20.305 0.398 1.00 0.00 C ATOM 212 CD LYS A 270 15.679 -21.170 1.612 1.00 0.00 C ATOM 213 CE LYS A 270 14.947 -20.638 2.845 1.00 0.00 C ATOM 214 NZ LYS A 270 15.288 -21.479 4.027 1.00 0.00 N ATOM 0 H LYS A 270 13.974 -20.906 -2.225 1.00 0.00 H new ATOM 0 HA LYS A 270 16.011 -18.863 -1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 270 15.785 -21.834 -1.062 1.00 0.00 H new ATOM 0 HB3 LYS A 270 17.169 -20.860 -0.604 1.00 0.00 H new ATOM 0 HG2 LYS A 270 15.598 -19.265 0.594 1.00 0.00 H new ATOM 0 HG3 LYS A 270 14.264 -20.334 0.208 1.00 0.00 H new ATOM 0 HD2 LYS A 270 15.393 -22.205 1.426 1.00 0.00 H new ATOM 0 HD3 LYS A 270 16.755 -21.163 1.785 1.00 0.00 H new ATOM 0 HE2 LYS A 270 15.229 -19.601 3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 270 13.870 -20.650 2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 270 14.790 -21.117 4.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 270 14.998 -22.462 3.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 270 16.314 -21.446 4.192 1.00 0.00 H new ATOM 228 N LYS A 271 16.335 -20.769 -4.266 1.00 0.00 N ATOM 229 CA LYS A 271 17.226 -21.162 -5.400 1.00 0.00 C ATOM 230 C LYS A 271 17.717 -19.910 -6.122 1.00 0.00 C ATOM 231 O LYS A 271 17.171 -18.818 -5.932 1.00 0.00 O ATOM 232 CB LYS A 271 16.447 -22.052 -6.383 1.00 0.00 C ATOM 233 CG LYS A 271 17.402 -23.011 -7.107 1.00 0.00 C ATOM 234 CD LYS A 271 16.601 -23.954 -8.014 1.00 0.00 C ATOM 235 CE LYS A 271 16.160 -23.208 -9.280 1.00 0.00 C ATOM 236 NZ LYS A 271 15.738 -24.188 -10.323 1.00 0.00 N ATOM 0 H LYS A 271 15.341 -20.923 -4.434 1.00 0.00 H new ATOM 0 HA LYS A 271 18.082 -21.715 -5.013 1.00 0.00 H new ATOM 0 HB2 LYS A 271 15.688 -22.621 -5.846 1.00 0.00 H new ATOM 0 HB3 LYS A 271 15.924 -21.431 -7.110 1.00 0.00 H new ATOM 0 HG2 LYS A 271 18.121 -22.445 -7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 271 17.973 -23.588 -6.380 1.00 0.00 H new ATOM 0 HD2 LYS A 271 17.209 -24.818 -8.283 1.00 0.00 H new ATOM 0 HD3 LYS A 271 15.728 -24.332 -7.481 1.00 0.00 H new ATOM 0 HE2 LYS A 271 15.336 -22.533 -9.047 1.00 0.00 H new ATOM 0 HE3 LYS A 271 16.979 -22.594 -9.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 271 15.440 -23.678 -11.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 271 16.535 -24.815 -10.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 271 14.944 -24.756 -9.965 1.00 0.00 H new ATOM 250 N CYS A 272 18.731 -20.055 -6.946 1.00 0.00 N ATOM 251 CA CYS A 272 19.282 -18.893 -7.708 1.00 0.00 C ATOM 252 C CYS A 272 18.231 -18.372 -8.682 1.00 0.00 C ATOM 253 O CYS A 272 18.172 -17.168 -8.953 1.00 0.00 O ATOM 254 CB CYS A 272 20.528 -19.321 -8.493 1.00 0.00 C ATOM 255 SG CYS A 272 21.970 -19.300 -7.398 1.00 0.00 S ATOM 0 H CYS A 272 19.204 -20.942 -7.123 1.00 0.00 H new ATOM 0 HA CYS A 272 19.552 -18.107 -7.003 1.00 0.00 H new ATOM 0 HB2 CYS A 272 20.386 -20.320 -8.905 1.00 0.00 H new ATOM 0 HB3 CYS A 272 20.688 -18.649 -9.336 1.00 0.00 H new ATOM 0 HG CYS A 272 23.025 -19.665 -8.063 1.00 0.00 H new ATOM 261 N GLY A 273 17.415 -19.254 -9.224 1.00 0.00 N ATOM 262 CA GLY A 273 16.372 -18.826 -10.205 1.00 0.00 C ATOM 263 C GLY A 273 16.941 -18.993 -11.604 1.00 0.00 C ATOM 264 O GLY A 273 17.199 -18.013 -12.309 1.00 0.00 O ATOM 0 H GLY A 273 17.431 -20.254 -9.024 1.00 0.00 H new ATOM 0 HA2 GLY A 273 15.470 -19.426 -10.087 1.00 0.00 H new ATOM 0 HA3 GLY A 273 16.089 -17.788 -10.031 1.00 0.00 H new ATOM 268 N ILE A 274 17.152 -20.224 -12.004 1.00 0.00 N ATOM 269 CA ILE A 274 17.725 -20.521 -13.356 1.00 0.00 C ATOM 270 C ILE A 274 16.841 -19.871 -14.418 1.00 0.00 C ATOM 271 O ILE A 274 15.612 -19.867 -14.293 1.00 0.00 O ATOM 272 CB ILE A 274 17.795 -22.046 -13.599 1.00 0.00 C ATOM 273 CG1 ILE A 274 18.499 -22.772 -12.411 1.00 0.00 C ATOM 274 CG2 ILE A 274 18.535 -22.330 -14.918 1.00 0.00 C ATOM 275 CD1 ILE A 274 19.983 -22.374 -12.272 1.00 0.00 C ATOM 0 H ILE A 274 16.948 -21.050 -11.441 1.00 0.00 H new ATOM 0 HA ILE A 274 18.737 -20.120 -13.411 1.00 0.00 H new ATOM 0 HB ILE A 274 16.778 -22.432 -13.670 1.00 0.00 H new ATOM 0 HG12 ILE A 274 17.975 -22.538 -11.484 1.00 0.00 H new ATOM 0 HG13 ILE A 274 18.427 -23.850 -12.554 1.00 0.00 H new ATOM 0 HG21 ILE A 274 18.582 -23.406 -15.085 1.00 0.00 H new ATOM 0 HG22 ILE A 274 18.002 -21.858 -15.743 1.00 0.00 H new ATOM 0 HG23 ILE A 274 19.546 -21.927 -14.862 1.00 0.00 H new ATOM 0 HD11 ILE A 274 20.425 -22.907 -11.431 1.00 0.00 H new ATOM 0 HD12 ILE A 274 20.516 -22.633 -13.187 1.00 0.00 H new ATOM 0 HD13 ILE A 274 20.057 -21.300 -12.100 1.00 0.00 H new ATOM 287 N GLN A 275 17.445 -19.325 -15.449 1.00 0.00 N ATOM 288 CA GLN A 275 16.660 -18.663 -16.536 1.00 0.00 C ATOM 289 C GLN A 275 16.870 -19.424 -17.839 1.00 0.00 C ATOM 290 O GLN A 275 18.005 -19.573 -18.305 1.00 0.00 O ATOM 291 CB GLN A 275 17.112 -17.211 -16.705 1.00 0.00 C ATOM 292 CG GLN A 275 16.757 -16.413 -15.447 1.00 0.00 C ATOM 293 CD GLN A 275 15.244 -16.236 -15.346 1.00 0.00 C ATOM 294 OE1 GLN A 275 14.613 -15.747 -16.281 1.00 0.00 O ATOM 295 NE2 GLN A 275 14.624 -16.611 -14.260 1.00 0.00 N ATOM 0 H GLN A 275 18.456 -19.311 -15.583 1.00 0.00 H new ATOM 0 HA GLN A 275 15.602 -18.670 -16.272 1.00 0.00 H new ATOM 0 HB2 GLN A 275 18.187 -17.172 -16.881 1.00 0.00 H new ATOM 0 HB3 GLN A 275 16.630 -16.769 -17.577 1.00 0.00 H new ATOM 0 HG2 GLN A 275 17.130 -16.929 -14.562 1.00 0.00 H new ATOM 0 HG3 GLN A 275 17.244 -15.438 -15.476 1.00 0.00 H new ATOM 0 HE21 GLN A 275 15.151 -17.016 -13.486 1.00 0.00 H new ATOM 0 HE22 GLN A 275 13.613 -16.499 -14.185 1.00 0.00 H new ATOM 304 N ASP A 276 15.799 -19.905 -18.429 1.00 0.00 N ATOM 305 CA ASP A 276 15.903 -20.669 -19.711 1.00 0.00 C ATOM 306 C ASP A 276 15.933 -19.682 -20.886 1.00 0.00 C ATOM 307 O ASP A 276 15.186 -19.823 -21.864 1.00 0.00 O ATOM 308 CB ASP A 276 14.711 -21.629 -19.838 1.00 0.00 C ATOM 309 CG ASP A 276 14.880 -22.801 -18.878 1.00 0.00 C ATOM 310 OD1 ASP A 276 14.079 -22.917 -17.967 1.00 0.00 O ATOM 311 OD2 ASP A 276 15.809 -23.569 -19.070 1.00 0.00 O ATOM 0 H ASP A 276 14.850 -19.799 -18.072 1.00 0.00 H new ATOM 0 HA ASP A 276 16.821 -21.257 -19.721 1.00 0.00 H new ATOM 0 HB2 ASP A 276 13.783 -21.100 -19.620 1.00 0.00 H new ATOM 0 HB3 ASP A 276 14.636 -21.995 -20.862 1.00 0.00 H new ATOM 316 N THR A 277 16.790 -18.687 -20.804 1.00 0.00 N ATOM 317 CA THR A 277 16.897 -17.672 -21.901 1.00 0.00 C ATOM 318 C THR A 277 17.363 -18.359 -23.184 1.00 0.00 C ATOM 319 O THR A 277 16.872 -18.048 -24.275 1.00 0.00 O ATOM 320 CB THR A 277 17.878 -16.554 -21.503 1.00 0.00 C ATOM 321 OG1 THR A 277 17.996 -15.627 -22.574 1.00 0.00 O ATOM 322 CG2 THR A 277 19.261 -17.137 -21.178 1.00 0.00 C ATOM 0 H THR A 277 17.423 -18.536 -20.018 1.00 0.00 H new ATOM 0 HA THR A 277 15.919 -17.222 -22.071 1.00 0.00 H new ATOM 0 HB THR A 277 17.494 -16.051 -20.616 1.00 0.00 H new ATOM 0 HG1 THR A 277 18.619 -14.914 -22.322 1.00 0.00 H new ATOM 0 HG21 THR A 277 19.939 -16.331 -20.899 1.00 0.00 H new ATOM 0 HG22 THR A 277 19.174 -17.841 -20.350 1.00 0.00 H new ATOM 0 HG23 THR A 277 19.653 -17.654 -22.054 1.00 0.00 H new ATOM 330 N ASN A 278 18.296 -19.280 -23.072 1.00 0.00 N ATOM 331 CA ASN A 278 18.811 -20.004 -24.274 1.00 0.00 C ATOM 332 C ASN A 278 18.622 -21.505 -24.074 1.00 0.00 C ATOM 333 O ASN A 278 17.897 -22.151 -24.837 1.00 0.00 O ATOM 334 CB ASN A 278 20.292 -19.684 -24.483 1.00 0.00 C ATOM 335 CG ASN A 278 20.442 -18.344 -25.198 1.00 0.00 C ATOM 336 OD1 ASN A 278 21.002 -17.401 -24.639 1.00 0.00 O ATOM 337 ND2 ASN A 278 19.972 -18.203 -26.408 1.00 0.00 N ATOM 0 H ASN A 278 18.724 -19.560 -22.189 1.00 0.00 H new ATOM 0 HA ASN A 278 18.258 -19.683 -25.157 1.00 0.00 H new ATOM 0 HB2 ASN A 278 20.804 -19.652 -23.522 1.00 0.00 H new ATOM 0 HB3 ASN A 278 20.764 -20.473 -25.069 1.00 0.00 H new ATOM 0 HD21 ASN A 278 20.069 -17.310 -26.892 1.00 0.00 H new ATOM 0 HD22 ASN A 278 19.508 -18.986 -26.869 1.00 0.00 H new ATOM 344 N SER A 279 19.252 -22.068 -23.062 1.00 0.00 N ATOM 345 CA SER A 279 19.123 -23.536 -22.780 1.00 0.00 C ATOM 346 C SER A 279 19.643 -24.337 -23.974 1.00 0.00 C ATOM 347 O SER A 279 19.003 -24.386 -25.029 1.00 0.00 O ATOM 348 CB SER A 279 17.656 -23.895 -22.489 1.00 0.00 C ATOM 349 OG SER A 279 17.499 -24.116 -21.094 1.00 0.00 O ATOM 0 H SER A 279 19.857 -21.564 -22.413 1.00 0.00 H new ATOM 0 HA SER A 279 19.718 -23.785 -21.901 1.00 0.00 H new ATOM 0 HB2 SER A 279 16.999 -23.090 -22.818 1.00 0.00 H new ATOM 0 HB3 SER A 279 17.370 -24.787 -23.046 1.00 0.00 H new ATOM 0 HG SER A 279 16.671 -23.692 -20.787 1.00 0.00 H new ATOM 355 N LYS A 280 20.787 -24.968 -23.818 1.00 0.00 N ATOM 356 CA LYS A 280 21.376 -25.786 -24.925 1.00 0.00 C ATOM 357 C LYS A 280 22.188 -26.927 -24.325 1.00 0.00 C ATOM 358 O LYS A 280 23.223 -26.695 -23.692 1.00 0.00 O ATOM 359 CB LYS A 280 22.281 -24.919 -25.804 1.00 0.00 C ATOM 360 CG LYS A 280 21.423 -23.986 -26.658 1.00 0.00 C ATOM 361 CD LYS A 280 22.323 -23.199 -27.615 1.00 0.00 C ATOM 362 CE LYS A 280 21.461 -22.337 -28.545 1.00 0.00 C ATOM 363 NZ LYS A 280 20.985 -21.125 -27.814 1.00 0.00 N ATOM 0 H LYS A 280 21.341 -24.949 -22.962 1.00 0.00 H new ATOM 0 HA LYS A 280 20.571 -26.187 -25.541 1.00 0.00 H new ATOM 0 HB2 LYS A 280 22.960 -24.337 -25.181 1.00 0.00 H new ATOM 0 HB3 LYS A 280 22.897 -25.551 -26.444 1.00 0.00 H new ATOM 0 HG2 LYS A 280 20.690 -24.563 -27.222 1.00 0.00 H new ATOM 0 HG3 LYS A 280 20.866 -23.301 -26.019 1.00 0.00 H new ATOM 0 HD2 LYS A 280 23.008 -22.567 -27.049 1.00 0.00 H new ATOM 0 HD3 LYS A 280 22.934 -23.885 -28.202 1.00 0.00 H new ATOM 0 HE2 LYS A 280 22.039 -22.041 -29.421 1.00 0.00 H new ATOM 0 HE3 LYS A 280 20.609 -22.914 -28.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 20.401 -20.544 -28.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 20.419 -21.416 -26.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 21.803 -20.570 -27.492 1.00 0.00 H new ATOM 377 N LYS A 281 21.742 -28.150 -24.515 1.00 0.00 N ATOM 378 CA LYS A 281 22.478 -29.332 -23.964 1.00 0.00 C ATOM 379 C LYS A 281 22.459 -30.463 -24.991 1.00 0.00 C ATOM 380 O LYS A 281 21.649 -30.449 -25.924 1.00 0.00 O ATOM 381 CB LYS A 281 21.843 -29.802 -22.644 1.00 0.00 C ATOM 382 CG LYS A 281 20.353 -30.123 -22.848 1.00 0.00 C ATOM 383 CD LYS A 281 19.778 -30.762 -21.578 1.00 0.00 C ATOM 384 CE LYS A 281 20.223 -32.226 -21.483 1.00 0.00 C ATOM 385 NZ LYS A 281 19.393 -32.937 -20.467 1.00 0.00 N ATOM 0 H LYS A 281 20.893 -28.379 -25.032 1.00 0.00 H new ATOM 0 HA LYS A 281 23.509 -29.044 -23.759 1.00 0.00 H new ATOM 0 HB2 LYS A 281 22.365 -30.686 -22.277 1.00 0.00 H new ATOM 0 HB3 LYS A 281 21.954 -29.028 -21.884 1.00 0.00 H new ATOM 0 HG2 LYS A 281 19.805 -29.212 -23.087 1.00 0.00 H new ATOM 0 HG3 LYS A 281 20.230 -30.800 -23.694 1.00 0.00 H new ATOM 0 HD2 LYS A 281 20.115 -30.213 -20.699 1.00 0.00 H new ATOM 0 HD3 LYS A 281 18.690 -30.704 -21.592 1.00 0.00 H new ATOM 0 HE2 LYS A 281 20.122 -32.711 -22.454 1.00 0.00 H new ATOM 0 HE3 LYS A 281 21.276 -32.279 -21.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 19.696 -33.930 -20.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 19.511 -32.479 -19.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 18.392 -32.898 -20.747 1.00 0.00 H new ATOM 399 N GLN A 282 23.332 -31.434 -24.836 1.00 0.00 N ATOM 400 CA GLN A 282 23.388 -32.582 -25.795 1.00 0.00 C ATOM 401 C GLN A 282 23.283 -33.893 -25.020 1.00 0.00 C ATOM 402 O GLN A 282 23.892 -34.043 -23.957 1.00 0.00 O ATOM 403 CB GLN A 282 24.700 -32.547 -26.580 1.00 0.00 C ATOM 404 CG GLN A 282 24.689 -31.355 -27.541 1.00 0.00 C ATOM 405 CD GLN A 282 26.016 -31.273 -28.287 1.00 0.00 C ATOM 406 OE1 GLN A 282 27.080 -31.395 -27.677 1.00 0.00 O ATOM 407 NE2 GLN A 282 26.019 -31.073 -29.576 1.00 0.00 N ATOM 0 H GLN A 282 24.013 -31.478 -24.078 1.00 0.00 H new ATOM 0 HA GLN A 282 22.557 -32.506 -26.497 1.00 0.00 H new ATOM 0 HB2 GLN A 282 25.544 -32.467 -25.895 1.00 0.00 H new ATOM 0 HB3 GLN A 282 24.828 -33.475 -27.137 1.00 0.00 H new ATOM 0 HG2 GLN A 282 23.869 -31.458 -28.252 1.00 0.00 H new ATOM 0 HG3 GLN A 282 24.517 -30.432 -26.987 1.00 0.00 H new ATOM 0 HE21 GLN A 282 25.137 -30.972 -30.079 1.00 0.00 H new ATOM 0 HE22 GLN A 282 26.903 -31.017 -30.081 1.00 0.00 H new ATOM 416 N SER A 283 22.523 -34.837 -25.533 1.00 0.00 N ATOM 417 CA SER A 283 22.360 -36.155 -24.842 1.00 0.00 C ATOM 418 C SER A 283 22.526 -37.280 -25.859 1.00 0.00 C ATOM 419 O SER A 283 22.673 -37.024 -27.058 1.00 0.00 O ATOM 420 CB SER A 283 20.979 -36.241 -24.193 1.00 0.00 C ATOM 421 OG SER A 283 20.842 -35.196 -23.238 1.00 0.00 O ATOM 0 H SER A 283 22.006 -34.747 -26.408 1.00 0.00 H new ATOM 0 HA SER A 283 23.118 -36.251 -24.065 1.00 0.00 H new ATOM 0 HB2 SER A 283 20.202 -36.159 -24.953 1.00 0.00 H new ATOM 0 HB3 SER A 283 20.851 -37.210 -23.710 1.00 0.00 H new ATOM 0 HG SER A 283 19.957 -35.248 -22.821 1.00 0.00 H new ATOM 427 N ASP A 284 22.508 -38.513 -25.402 1.00 0.00 N ATOM 428 CA ASP A 284 22.667 -39.679 -26.328 1.00 0.00 C ATOM 429 C ASP A 284 21.372 -39.896 -27.104 1.00 0.00 C ATOM 430 O ASP A 284 21.378 -39.911 -28.339 1.00 0.00 O ATOM 431 CB ASP A 284 23.004 -40.941 -25.531 1.00 0.00 C ATOM 432 CG ASP A 284 24.504 -41.004 -25.262 1.00 0.00 C ATOM 433 OD1 ASP A 284 25.256 -41.050 -26.221 1.00 0.00 O ATOM 434 OD2 ASP A 284 24.877 -41.007 -24.101 1.00 0.00 O ATOM 0 H ASP A 284 22.389 -38.761 -24.420 1.00 0.00 H new ATOM 0 HA ASP A 284 23.479 -39.471 -27.025 1.00 0.00 H new ATOM 0 HB2 ASP A 284 22.457 -40.942 -24.588 1.00 0.00 H new ATOM 0 HB3 ASP A 284 22.688 -41.825 -26.084 1.00 0.00 H new ATOM 439 N THR A 285 20.271 -40.068 -26.405 1.00 0.00 N ATOM 440 CA THR A 285 18.958 -40.291 -27.086 1.00 0.00 C ATOM 441 C THR A 285 18.550 -39.017 -27.815 1.00 0.00 C ATOM 442 O THR A 285 19.162 -37.963 -27.621 1.00 0.00 O ATOM 443 CB THR A 285 17.885 -40.666 -26.060 1.00 0.00 C ATOM 444 OG1 THR A 285 17.915 -39.739 -24.984 1.00 0.00 O ATOM 445 CG2 THR A 285 18.151 -42.077 -25.529 1.00 0.00 C ATOM 0 H THR A 285 20.229 -40.063 -25.386 1.00 0.00 H new ATOM 0 HA THR A 285 19.058 -41.108 -27.800 1.00 0.00 H new ATOM 0 HB THR A 285 16.904 -40.639 -26.535 1.00 0.00 H new ATOM 0 HG1 THR A 285 17.227 -39.977 -24.328 1.00 0.00 H new ATOM 0 HG21 THR A 285 17.386 -42.341 -24.799 1.00 0.00 H new ATOM 0 HG22 THR A 285 18.125 -42.788 -26.355 1.00 0.00 H new ATOM 0 HG23 THR A 285 19.132 -42.108 -25.054 1.00 0.00 H new