USER MOD reduce.3.24.130724 H: found=0, std=0, add=154, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 155 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 4 SER OG : rot 22:sc= 0.644 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N SER A 4 -12.058 2.312 -1.628 1.00 0.00 N ATOM 37 CA SER A 4 -11.899 3.081 -0.400 1.00 0.00 C ATOM 38 C SER A 4 -10.777 2.476 0.429 1.00 0.00 C ATOM 39 O SER A 4 -10.083 3.166 1.175 1.00 0.00 O ATOM 40 CB SER A 4 -13.203 3.094 0.400 1.00 0.00 C ATOM 41 OG SER A 4 -14.321 2.884 -0.443 1.00 0.00 O ATOM 0 HA SER A 4 -11.648 4.111 -0.653 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.171 2.319 1.166 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.307 4.048 0.916 1.00 0.00 H new ATOM 0 HG SER A 4 -14.030 2.443 -1.269 1.00 0.00 H new ATOM 47 N VAL A 5 -10.603 1.171 0.260 1.00 0.00 N ATOM 48 CA VAL A 5 -9.564 0.424 0.948 1.00 0.00 C ATOM 49 C VAL A 5 -8.215 0.737 0.341 1.00 0.00 C ATOM 50 O VAL A 5 -7.177 0.539 0.969 1.00 0.00 O ATOM 51 CB VAL A 5 -9.780 -1.076 0.806 1.00 0.00 C ATOM 52 CG1 VAL A 5 -8.895 -1.843 1.779 1.00 0.00 C ATOM 53 CG2 VAL A 5 -11.244 -1.442 0.991 1.00 0.00 C ATOM 0 H VAL A 5 -11.181 0.602 -0.359 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.602 0.711 1.999 1.00 0.00 H new ATOM 0 HB VAL A 5 -9.496 -1.362 -0.207 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -9.066 -2.913 1.660 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -7.848 -1.618 1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -9.136 -1.548 2.800 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -11.366 -2.520 0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.573 -1.137 1.984 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -11.845 -0.932 0.238 1.00 0.00 H new ATOM 63 N PHE A 6 -8.248 1.224 -0.899 1.00 0.00 N ATOM 64 CA PHE A 6 -7.037 1.579 -1.629 1.00 0.00 C ATOM 65 C PHE A 6 -6.038 2.282 -0.710 1.00 0.00 C ATOM 66 O PHE A 6 -4.829 2.248 -0.943 1.00 0.00 O ATOM 67 CB PHE A 6 -7.405 2.474 -2.819 1.00 0.00 C ATOM 68 CG PHE A 6 -7.220 3.947 -2.565 1.00 0.00 C ATOM 69 CD1 PHE A 6 -6.184 4.642 -3.168 1.00 0.00 C ATOM 70 CD2 PHE A 6 -8.079 4.630 -1.719 1.00 0.00 C ATOM 71 CE1 PHE A 6 -6.009 5.992 -2.932 1.00 0.00 C ATOM 72 CE2 PHE A 6 -7.909 5.980 -1.480 1.00 0.00 C ATOM 73 CZ PHE A 6 -6.873 6.663 -2.087 1.00 0.00 C ATOM 0 H PHE A 6 -9.110 1.382 -1.421 1.00 0.00 H new ATOM 0 HA PHE A 6 -6.563 0.670 -2.000 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -6.798 2.186 -3.677 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -8.445 2.291 -3.089 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -5.506 4.123 -3.829 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -8.890 4.101 -1.241 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -5.198 6.523 -3.408 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -8.586 6.501 -0.819 1.00 0.00 H new ATOM 0 HZ PHE A 6 -6.738 7.718 -1.902 1.00 0.00 H new ATOM 83 N GLY A 7 -6.560 2.903 0.343 1.00 0.00 N ATOM 84 CA GLY A 7 -5.711 3.591 1.297 1.00 0.00 C ATOM 85 C GLY A 7 -4.732 2.643 1.956 1.00 0.00 C ATOM 86 O GLY A 7 -3.573 2.990 2.183 1.00 0.00 O ATOM 0 H GLY A 7 -7.558 2.942 0.552 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.164 4.386 0.791 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.329 4.065 2.060 1.00 0.00 H new ATOM 90 N ARG A 8 -5.200 1.433 2.246 1.00 0.00 N ATOM 91 CA ARG A 8 -4.363 0.414 2.862 1.00 0.00 C ATOM 92 C ARG A 8 -3.469 -0.227 1.808 1.00 0.00 C ATOM 93 O ARG A 8 -2.247 -0.249 1.951 1.00 0.00 O ATOM 94 CB ARG A 8 -5.226 -0.649 3.545 1.00 0.00 C ATOM 95 CG ARG A 8 -5.477 -0.374 5.019 1.00 0.00 C ATOM 96 CD ARG A 8 -6.738 0.451 5.229 1.00 0.00 C ATOM 97 NE ARG A 8 -6.437 1.812 5.667 1.00 0.00 N ATOM 98 CZ ARG A 8 -7.294 2.827 5.577 1.00 0.00 C ATOM 99 NH1 ARG A 8 -8.504 2.640 5.063 1.00 0.00 N ATOM 100 NH2 ARG A 8 -6.941 4.032 6.001 1.00 0.00 N ATOM 0 H ARG A 8 -6.158 1.135 2.063 1.00 0.00 H new ATOM 0 HA ARG A 8 -3.737 0.885 3.620 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -6.183 -0.715 3.028 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.741 -1.620 3.443 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.566 -1.319 5.556 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -4.622 0.153 5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -7.306 0.487 4.300 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.371 -0.037 5.971 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.516 1.995 6.065 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -8.781 1.715 4.735 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -9.156 3.421 4.997 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -6.013 4.182 6.396 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -7.598 4.810 5.932 1.00 0.00 H new ATOM 114 N LEU A 9 -4.082 -0.731 0.736 1.00 0.00 N ATOM 115 CA LEU A 9 -3.324 -1.350 -0.347 1.00 0.00 C ATOM 116 C LEU A 9 -2.270 -0.381 -0.882 1.00 0.00 C ATOM 117 O LEU A 9 -1.274 -0.792 -1.474 1.00 0.00 O ATOM 118 CB LEU A 9 -4.255 -1.781 -1.482 1.00 0.00 C ATOM 119 CG LEU A 9 -5.120 -3.009 -1.186 1.00 0.00 C ATOM 120 CD1 LEU A 9 -6.475 -2.585 -0.641 1.00 0.00 C ATOM 121 CD2 LEU A 9 -5.288 -3.858 -2.438 1.00 0.00 C ATOM 0 H LEU A 9 -5.092 -0.722 0.597 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.825 -2.234 0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.911 -0.946 -1.729 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.652 -1.986 -2.367 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.618 -3.611 -0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.078 -3.470 -0.436 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.336 -2.019 0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.984 -1.962 -1.376 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.906 -4.726 -2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.769 -3.266 -3.217 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.310 -4.190 -2.786 1.00 0.00 H new ATOM 133 N ALA A 10 -2.501 0.911 -0.664 1.00 0.00 N ATOM 134 CA ALA A 10 -1.580 1.946 -1.113 1.00 0.00 C ATOM 135 C ALA A 10 -0.219 1.815 -0.430 1.00 0.00 C ATOM 136 O ALA A 10 0.785 2.329 -0.921 1.00 0.00 O ATOM 137 CB ALA A 10 -2.173 3.324 -0.853 1.00 0.00 C ATOM 0 H ALA A 10 -3.324 1.265 -0.176 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.428 1.820 -2.185 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.476 4.090 -1.193 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.114 3.423 -1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.355 3.446 0.215 1.00 0.00 H new ATOM 143 N ARG A 11 -0.198 1.135 0.714 1.00 0.00 N ATOM 144 CA ARG A 11 1.024 0.943 1.474 1.00 0.00 C ATOM 145 C ARG A 11 1.761 -0.320 1.042 1.00 0.00 C ATOM 146 O ARG A 11 2.985 -0.318 0.934 1.00 0.00 O ATOM 147 CB ARG A 11 0.720 0.906 2.977 1.00 0.00 C ATOM 148 CG ARG A 11 0.182 -0.426 3.486 1.00 0.00 C ATOM 149 CD ARG A 11 -0.849 -0.236 4.593 1.00 0.00 C ATOM 150 NE ARG A 11 -0.715 1.058 5.265 1.00 0.00 N ATOM 151 CZ ARG A 11 -0.064 1.243 6.413 1.00 0.00 C ATOM 152 NH1 ARG A 11 0.548 0.229 7.014 1.00 0.00 N ATOM 153 NH2 ARG A 11 -0.016 2.452 6.957 1.00 0.00 N ATOM 0 H ARG A 11 -1.023 0.707 1.133 1.00 0.00 H new ATOM 0 HA ARG A 11 1.679 1.790 1.270 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.631 1.147 3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.005 1.687 3.206 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.269 -0.975 2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 11 1.007 -1.033 3.859 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.851 -0.321 4.171 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.743 -1.036 5.326 1.00 0.00 H new ATOM 0 HE ARG A 11 -1.148 1.871 4.826 1.00 0.00 H new ATOM 0 HH11 ARG A 11 0.522 -0.702 6.597 1.00 0.00 H new ATOM 0 HH12 ARG A 11 1.044 0.381 7.892 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.477 3.237 6.497 1.00 0.00 H new ATOM 0 HH22 ARG A 11 0.482 2.597 7.836 1.00 0.00 H new ATOM 167 N ILE A 12 1.022 -1.403 0.794 1.00 0.00 N ATOM 168 CA ILE A 12 1.647 -2.655 0.382 1.00 0.00 C ATOM 169 C ILE A 12 2.542 -2.444 -0.829 1.00 0.00 C ATOM 170 O ILE A 12 3.616 -3.037 -0.928 1.00 0.00 O ATOM 171 CB ILE A 12 0.624 -3.759 0.072 1.00 0.00 C ATOM 172 CG1 ILE A 12 -0.318 -3.345 -1.063 1.00 0.00 C ATOM 173 CG2 ILE A 12 -0.169 -4.114 1.321 1.00 0.00 C ATOM 174 CD1 ILE A 12 -0.520 -4.425 -2.103 1.00 0.00 C ATOM 0 H ILE A 12 0.005 -1.437 0.870 1.00 0.00 H new ATOM 0 HA ILE A 12 2.246 -2.985 1.230 1.00 0.00 H new ATOM 0 HB ILE A 12 1.173 -4.641 -0.257 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.285 -3.073 -0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.080 -2.454 -1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.889 -4.897 1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.511 -4.468 2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.698 -3.231 1.679 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.198 -4.063 -2.876 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.439 -4.681 -2.552 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.947 -5.310 -1.631 1.00 0.00 H new ATOM 186 N LEU A 13 2.116 -1.566 -1.730 1.00 0.00 N ATOM 187 CA LEU A 13 2.915 -1.254 -2.903 1.00 0.00 C ATOM 188 C LEU A 13 4.184 -0.560 -2.443 1.00 0.00 C ATOM 189 O LEU A 13 5.215 -0.600 -3.114 1.00 0.00 O ATOM 190 CB LEU A 13 2.146 -0.365 -3.880 1.00 0.00 C ATOM 191 CG LEU A 13 1.502 0.872 -3.256 1.00 0.00 C ATOM 192 CD1 LEU A 13 2.361 2.106 -3.496 1.00 0.00 C ATOM 193 CD2 LEU A 13 0.103 1.076 -3.815 1.00 0.00 C ATOM 0 H LEU A 13 1.230 -1.063 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 13 3.158 -2.177 -3.430 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.827 -0.043 -4.668 1.00 0.00 H new ATOM 0 HB3 LEU A 13 1.367 -0.961 -4.355 1.00 0.00 H new ATOM 0 HG LEU A 13 1.427 0.716 -2.180 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.884 2.975 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.344 1.958 -3.049 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.471 2.270 -4.568 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.344 1.961 -3.362 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.159 1.210 -4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.510 0.203 -3.589 1.00 0.00 H new ATOM 205 N GLY A 14 4.096 0.056 -1.266 1.00 0.00 N ATOM 206 CA GLY A 14 5.242 0.724 -0.696 1.00 0.00 C ATOM 207 C GLY A 14 6.027 -0.197 0.221 1.00 0.00 C ATOM 208 O GLY A 14 7.192 0.055 0.500 1.00 0.00 O ATOM 0 H GLY A 14 3.248 0.101 -0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.891 1.081 -1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.913 1.600 -0.137 1.00 0.00 H new ATOM 212 N ARG A 15 5.380 -1.271 0.688 1.00 0.00 N ATOM 213 CA ARG A 15 6.022 -2.247 1.576 1.00 0.00 C ATOM 214 C ARG A 15 6.455 -3.487 0.801 1.00 0.00 C ATOM 215 O ARG A 15 6.571 -4.575 1.365 1.00 0.00 O ATOM 216 CB ARG A 15 5.072 -2.649 2.703 1.00 0.00 C ATOM 217 CG ARG A 15 4.948 -1.597 3.787 1.00 0.00 C ATOM 218 CD ARG A 15 3.931 -0.536 3.408 1.00 0.00 C ATOM 219 NE ARG A 15 3.531 0.275 4.556 1.00 0.00 N ATOM 220 CZ ARG A 15 4.320 1.174 5.140 1.00 0.00 C ATOM 221 NH1 ARG A 15 5.551 1.376 4.688 1.00 0.00 N ATOM 222 NH2 ARG A 15 3.876 1.871 6.179 1.00 0.00 N ATOM 0 H ARG A 15 4.408 -1.487 0.465 1.00 0.00 H new ATOM 0 HA ARG A 15 6.907 -1.778 2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.085 -2.847 2.284 1.00 0.00 H new ATOM 0 HB3 ARG A 15 5.422 -3.580 3.149 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.653 -2.069 4.724 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.918 -1.130 3.957 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.351 0.110 2.637 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.051 -1.015 2.978 1.00 0.00 H new ATOM 0 HE ARG A 15 2.592 0.144 4.932 1.00 0.00 H new ATOM 0 HH11 ARG A 15 5.896 0.842 3.890 1.00 0.00 H new ATOM 0 HH12 ARG A 15 6.153 2.066 5.138 1.00 0.00 H new ATOM 0 HH21 ARG A 15 2.931 1.718 6.530 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.480 2.560 6.627 1.00 0.00 H new ATOM 236 N VAL A 16 6.696 -3.312 -0.487 1.00 0.00 N ATOM 237 CA VAL A 16 7.122 -4.408 -1.347 1.00 0.00 C ATOM 238 C VAL A 16 8.532 -4.144 -1.772 1.00 0.00 C ATOM 239 O VAL A 16 9.430 -4.966 -1.591 1.00 0.00 O ATOM 240 CB VAL A 16 6.213 -4.581 -2.583 1.00 0.00 C ATOM 241 CG1 VAL A 16 6.147 -3.299 -3.395 1.00 0.00 C ATOM 242 CG2 VAL A 16 6.691 -5.743 -3.442 1.00 0.00 C ATOM 0 H VAL A 16 6.604 -2.416 -0.965 1.00 0.00 H new ATOM 0 HA VAL A 16 7.052 -5.339 -0.784 1.00 0.00 H new ATOM 0 HB VAL A 16 5.206 -4.807 -2.233 1.00 0.00 H new ATOM 0 HG11 VAL A 16 5.500 -3.449 -4.260 1.00 0.00 H new ATOM 0 HG12 VAL A 16 5.745 -2.497 -2.776 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.148 -3.030 -3.733 1.00 0.00 H new ATOM 0 HG21 VAL A 16 6.037 -5.848 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.710 -5.552 -3.778 1.00 0.00 H new ATOM 0 HG23 VAL A 16 6.668 -6.662 -2.856 1.00 0.00 H new ATOM 252 N ILE A 17 8.724 -2.934 -2.260 1.00 0.00 N ATOM 253 CA ILE A 17 10.020 -2.475 -2.625 1.00 0.00 C ATOM 254 C ILE A 17 10.025 -0.986 -2.408 1.00 0.00 C ATOM 255 O ILE A 17 9.838 -0.193 -3.330 1.00 0.00 O ATOM 256 CB ILE A 17 10.356 -2.789 -4.099 1.00 0.00 C ATOM 257 CG1 ILE A 17 10.199 -4.285 -4.378 1.00 0.00 C ATOM 258 CG2 ILE A 17 11.767 -2.329 -4.431 1.00 0.00 C ATOM 259 CD1 ILE A 17 11.206 -5.147 -3.649 1.00 0.00 C ATOM 0 H ILE A 17 7.978 -2.254 -2.409 1.00 0.00 H new ATOM 0 HA ILE A 17 10.773 -2.981 -2.021 1.00 0.00 H new ATOM 0 HB ILE A 17 9.657 -2.246 -4.736 1.00 0.00 H new ATOM 0 HG12 ILE A 17 9.194 -4.596 -4.093 1.00 0.00 H new ATOM 0 HG13 ILE A 17 10.294 -4.458 -5.450 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.988 -2.558 -5.474 1.00 0.00 H new ATOM 0 HG22 ILE A 17 11.846 -1.254 -4.270 1.00 0.00 H new ATOM 0 HG23 ILE A 17 12.479 -2.845 -3.787 1.00 0.00 H new ATOM 0 HD11 ILE A 17 11.034 -6.195 -3.895 1.00 0.00 H new ATOM 0 HD12 ILE A 17 12.214 -4.864 -3.952 1.00 0.00 H new ATOM 0 HD13 ILE A 17 11.097 -5.004 -2.574 1.00 0.00 H new ATOM 271 N PRO A 18 10.268 -0.603 -1.158 1.00 0.00 N ATOM 272 CA PRO A 18 10.344 0.749 -0.717 1.00 0.00 C ATOM 273 C PRO A 18 11.779 1.238 -0.803 1.00 0.00 C ATOM 274 O PRO A 18 12.678 0.514 -1.228 1.00 0.00 O ATOM 275 CB PRO A 18 9.861 0.693 0.745 1.00 0.00 C ATOM 276 CG PRO A 18 9.702 -0.764 1.051 1.00 0.00 C ATOM 277 CD PRO A 18 10.475 -1.465 -0.017 1.00 0.00 C ATOM 0 HA PRO A 18 9.747 1.434 -1.319 1.00 0.00 H new ATOM 0 HB2 PRO A 18 10.582 1.160 1.416 1.00 0.00 H new ATOM 0 HB3 PRO A 18 8.919 1.226 0.869 1.00 0.00 H new ATOM 0 HG2 PRO A 18 10.088 -1.005 2.041 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.653 -1.059 1.038 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.531 -1.557 0.238 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.101 -2.473 -0.195 1.00 0.00 H new ATOM 285 N LYS A 19 11.973 2.460 -0.403 1.00 0.00 N ATOM 286 CA LYS A 19 13.289 3.089 -0.421 1.00 0.00 C ATOM 287 C LYS A 19 14.263 2.355 0.496 1.00 0.00 C ATOM 288 O LYS A 19 15.479 2.441 0.319 1.00 0.00 O ATOM 289 CB LYS A 19 13.181 4.556 -0.002 1.00 0.00 C ATOM 290 CG LYS A 19 12.525 4.759 1.355 1.00 0.00 C ATOM 291 CD LYS A 19 12.829 6.139 1.918 1.00 0.00 C ATOM 292 CE LYS A 19 13.026 6.098 3.426 1.00 0.00 C ATOM 293 NZ LYS A 19 14.440 6.364 3.812 1.00 0.00 N1+ ATOM 0 H LYS A 19 11.229 3.063 -0.051 1.00 0.00 H new ATOM 0 HA LYS A 19 13.673 3.035 -1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.179 4.993 0.018 1.00 0.00 H new ATOM 0 HB3 LYS A 19 12.611 5.099 -0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.446 4.632 1.262 1.00 0.00 H new ATOM 0 HG3 LYS A 19 12.877 3.996 2.049 1.00 0.00 H new ATOM 0 HD2 LYS A 19 13.727 6.536 1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 19 12.013 6.819 1.676 1.00 0.00 H new ATOM 0 HE2 LYS A 19 12.377 6.836 3.897 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.725 5.121 3.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.530 6.327 4.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 15.058 5.645 3.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 14.721 7.307 3.474 1.00 0.00 H new ATOM 307 N VAL A 20 13.723 1.635 1.476 1.00 0.00 N ATOM 308 CA VAL A 20 14.548 0.889 2.420 1.00 0.00 C ATOM 309 C VAL A 20 15.367 1.835 3.290 1.00 0.00 C ATOM 310 O VAL A 20 16.450 2.264 2.837 1.00 0.00 O ATOM 311 CB VAL A 20 15.506 -0.087 1.704 1.00 0.00 C ATOM 312 CG1 VAL A 20 15.979 -1.169 2.663 1.00 0.00 C ATOM 313 CG2 VAL A 20 14.840 -0.703 0.480 1.00 0.00 C ATOM 314 OXT VAL A 20 14.918 2.142 4.414 1.00 0.00 O ATOM 0 H VAL A 20 12.719 1.553 1.636 1.00 0.00 H new ATOM 0 HA VAL A 20 13.864 0.312 3.043 1.00 0.00 H new ATOM 0 HB VAL A 20 16.376 0.476 1.365 1.00 0.00 H new ATOM 0 HG11 VAL A 20 16.653 -1.848 2.141 1.00 0.00 H new ATOM 0 HG12 VAL A 20 16.504 -0.709 3.500 1.00 0.00 H new ATOM 0 HG13 VAL A 20 15.119 -1.726 3.035 1.00 0.00 H new ATOM 0 HG21 VAL A 20 15.535 -1.387 -0.007 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.949 -1.250 0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 20 14.559 0.086 -0.217 1.00 0.00 H new