USER MOD reduce.3.24.130724 H: found=0, std=0, add=161, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 162 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 269 GLN : amide:sc= -8.95! C(o=-29!,f=-13!) USER MOD Set 1.2: A 286 ASN : amide:sc= -20.1! C(o=-29!,f=-13!) USER MOD Single : A 268 HIS : no HD1:sc= -2.92! K(o=-2.9!,f=-1.4) USER MOD Single : A 274 LYS NZ :NH3+ -162:sc= -0.0282 (180deg=-0.443) USER MOD Single : A 276 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 279 ASN : amide:sc= -5.18! C(o=-5.2!,f=-5.5!) USER MOD Single : A 280 LYS NZ :NH3+ -166:sc= -0.354 (180deg=-0.92!) USER MOD Single : A 281 LYS NZ :NH3+ 155:sc= -4.01! (180deg=-5.2!) USER MOD Single : A 285 SER OG : rot 180:sc= -0.283 USER MOD ----------------------------------------------------------------- ATOM 23 N HIS A 268 9.195 4.351 -36.165 1.00 0.00 N ATOM 24 CA HIS A 268 7.783 4.330 -35.807 1.00 0.00 C ATOM 25 C HIS A 268 7.602 4.963 -34.438 1.00 0.00 C ATOM 26 O HIS A 268 6.499 5.344 -34.047 1.00 0.00 O ATOM 27 CB HIS A 268 7.272 2.888 -35.785 1.00 0.00 C ATOM 28 CG HIS A 268 5.849 2.867 -35.299 1.00 0.00 C ATOM 29 ND1 HIS A 268 5.281 1.744 -34.719 1.00 0.00 N ATOM 30 CD2 HIS A 268 4.868 3.825 -35.302 1.00 0.00 C ATOM 31 CE1 HIS A 268 4.011 2.053 -34.399 1.00 0.00 C ATOM 32 NE2 HIS A 268 3.707 3.309 -34.734 1.00 0.00 N ATOM 0 HA HIS A 268 7.214 4.894 -36.546 1.00 0.00 H new ATOM 0 HB2 HIS A 268 7.333 2.454 -36.783 1.00 0.00 H new ATOM 0 HB3 HIS A 268 7.899 2.279 -35.134 1.00 0.00 H new ATOM 0 HD2 HIS A 268 4.979 4.828 -35.687 1.00 0.00 H new ATOM 0 HE1 HIS A 268 3.321 1.368 -33.928 1.00 0.00 H new ATOM 0 HE2 HIS A 268 2.816 3.787 -34.602 1.00 0.00 H new ATOM 41 N GLN A 269 8.706 5.049 -33.711 1.00 0.00 N ATOM 42 CA GLN A 269 8.702 5.608 -32.372 1.00 0.00 C ATOM 43 C GLN A 269 7.823 6.861 -32.276 1.00 0.00 C ATOM 44 O GLN A 269 7.166 7.076 -31.257 1.00 0.00 O ATOM 45 CB GLN A 269 10.141 5.919 -31.936 1.00 0.00 C ATOM 46 CG GLN A 269 10.919 4.604 -31.816 1.00 0.00 C ATOM 47 CD GLN A 269 12.410 4.887 -31.660 1.00 0.00 C ATOM 48 OE1 GLN A 269 13.123 5.027 -32.653 1.00 0.00 O ATOM 49 NE2 GLN A 269 12.927 4.981 -30.465 1.00 0.00 N ATOM 0 H GLN A 269 9.622 4.735 -34.031 1.00 0.00 H new ATOM 0 HA GLN A 269 8.273 4.866 -31.698 1.00 0.00 H new ATOM 0 HB2 GLN A 269 10.621 6.576 -32.661 1.00 0.00 H new ATOM 0 HB3 GLN A 269 10.140 6.445 -30.981 1.00 0.00 H new ATOM 0 HG2 GLN A 269 10.558 4.036 -30.959 1.00 0.00 H new ATOM 0 HG3 GLN A 269 10.748 3.990 -32.700 1.00 0.00 H new ATOM 0 HE21 GLN A 269 12.335 4.865 -29.643 1.00 0.00 H new ATOM 0 HE22 GLN A 269 13.923 5.171 -30.354 1.00 0.00 H new ATOM 58 N PRO A 270 7.788 7.692 -33.291 1.00 0.00 N ATOM 59 CA PRO A 270 6.951 8.917 -33.225 1.00 0.00 C ATOM 60 C PRO A 270 5.631 8.757 -33.978 1.00 0.00 C ATOM 61 O PRO A 270 5.581 8.122 -35.032 1.00 0.00 O ATOM 62 CB PRO A 270 7.840 9.986 -33.884 1.00 0.00 C ATOM 63 CG PRO A 270 8.915 9.234 -34.625 1.00 0.00 C ATOM 64 CD PRO A 270 8.565 7.750 -34.529 1.00 0.00 C ATOM 0 HA PRO A 270 6.658 9.165 -32.205 1.00 0.00 H new ATOM 0 HB2 PRO A 270 7.260 10.610 -34.565 1.00 0.00 H new ATOM 0 HB3 PRO A 270 8.273 10.649 -33.135 1.00 0.00 H new ATOM 0 HG2 PRO A 270 8.962 9.553 -35.666 1.00 0.00 H new ATOM 0 HG3 PRO A 270 9.894 9.429 -34.188 1.00 0.00 H new ATOM 0 HD2 PRO A 270 7.986 7.412 -35.389 1.00 0.00 H new ATOM 0 HD3 PRO A 270 9.456 7.124 -34.479 1.00 0.00 H new ATOM 72 N GLY A 271 4.571 9.348 -33.434 1.00 0.00 N ATOM 73 CA GLY A 271 3.255 9.278 -34.062 1.00 0.00 C ATOM 74 C GLY A 271 3.057 7.950 -34.784 1.00 0.00 C ATOM 75 O GLY A 271 2.871 6.910 -34.154 1.00 0.00 O ATOM 0 H GLY A 271 4.597 9.879 -32.563 1.00 0.00 H new ATOM 0 HA2 GLY A 271 2.481 9.402 -33.305 1.00 0.00 H new ATOM 0 HA3 GLY A 271 3.143 10.100 -34.770 1.00 0.00 H new ATOM 79 N GLY A 272 3.099 7.996 -36.114 1.00 0.00 N ATOM 80 CA GLY A 272 2.922 6.791 -36.919 1.00 0.00 C ATOM 81 C GLY A 272 3.888 6.774 -38.100 1.00 0.00 C ATOM 82 O GLY A 272 3.480 6.949 -39.248 1.00 0.00 O ATOM 0 H GLY A 272 3.253 8.848 -36.653 1.00 0.00 H new ATOM 0 HA2 GLY A 272 3.084 5.909 -36.300 1.00 0.00 H new ATOM 0 HA3 GLY A 272 1.896 6.741 -37.283 1.00 0.00 H new ATOM 86 N GLY A 273 5.169 6.564 -37.814 1.00 0.00 N ATOM 87 CA GLY A 273 6.179 6.530 -38.866 1.00 0.00 C ATOM 88 C GLY A 273 6.515 7.939 -39.337 1.00 0.00 C ATOM 89 O GLY A 273 6.804 8.160 -40.513 1.00 0.00 O ATOM 0 H GLY A 273 5.530 6.416 -36.872 1.00 0.00 H new ATOM 0 HA2 GLY A 273 7.080 6.041 -38.496 1.00 0.00 H new ATOM 0 HA3 GLY A 273 5.816 5.937 -39.706 1.00 0.00 H new ATOM 93 N LYS A 274 6.467 8.890 -38.411 1.00 0.00 N ATOM 94 CA LYS A 274 6.759 10.279 -38.742 1.00 0.00 C ATOM 95 C LYS A 274 8.261 10.541 -38.739 1.00 0.00 C ATOM 96 O LYS A 274 9.011 9.944 -37.965 1.00 0.00 O ATOM 97 CB LYS A 274 6.077 11.208 -37.736 1.00 0.00 C ATOM 98 CG LYS A 274 4.557 11.063 -37.857 1.00 0.00 C ATOM 99 CD LYS A 274 3.873 12.078 -36.939 1.00 0.00 C ATOM 100 CE LYS A 274 2.359 11.856 -36.973 1.00 0.00 C ATOM 101 NZ LYS A 274 1.855 12.087 -38.356 1.00 0.00 N ATOM 0 H LYS A 274 6.230 8.726 -37.432 1.00 0.00 H new ATOM 0 HA LYS A 274 6.376 10.475 -39.743 1.00 0.00 H new ATOM 0 HB2 LYS A 274 6.397 10.963 -36.723 1.00 0.00 H new ATOM 0 HB3 LYS A 274 6.371 12.241 -37.922 1.00 0.00 H new ATOM 0 HG2 LYS A 274 4.247 11.224 -38.889 1.00 0.00 H new ATOM 0 HG3 LYS A 274 4.255 10.051 -37.587 1.00 0.00 H new ATOM 0 HD2 LYS A 274 4.244 11.971 -35.920 1.00 0.00 H new ATOM 0 HD3 LYS A 274 4.110 13.092 -37.260 1.00 0.00 H new ATOM 0 HE2 LYS A 274 2.122 10.841 -36.653 1.00 0.00 H new ATOM 0 HE3 LYS A 274 1.865 12.534 -36.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 0.827 12.239 -38.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 2.319 12.926 -38.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 2.067 11.257 -38.946 1.00 0.00 H new ATOM 115 N VAL A 275 8.687 11.447 -39.611 1.00 0.00 N ATOM 116 CA VAL A 275 10.097 11.808 -39.717 1.00 0.00 C ATOM 117 C VAL A 275 10.576 12.442 -38.417 1.00 0.00 C ATOM 118 O VAL A 275 11.771 12.667 -38.223 1.00 0.00 O ATOM 119 CB VAL A 275 10.300 12.791 -40.872 1.00 0.00 C ATOM 120 CG1 VAL A 275 9.722 12.195 -42.156 1.00 0.00 C ATOM 121 CG2 VAL A 275 9.586 14.106 -40.553 1.00 0.00 C ATOM 0 H VAL A 275 8.075 11.947 -40.257 1.00 0.00 H new ATOM 0 HA VAL A 275 10.676 10.904 -39.908 1.00 0.00 H new ATOM 0 HB VAL A 275 11.365 12.979 -41.007 1.00 0.00 H new ATOM 0 HG11 VAL A 275 9.866 12.895 -42.979 1.00 0.00 H new ATOM 0 HG12 VAL A 275 10.230 11.258 -42.383 1.00 0.00 H new ATOM 0 HG13 VAL A 275 8.657 12.007 -42.022 1.00 0.00 H new ATOM 0 HG21 VAL A 275 9.730 14.807 -41.375 1.00 0.00 H new ATOM 0 HG22 VAL A 275 8.521 13.918 -40.419 1.00 0.00 H new ATOM 0 HG23 VAL A 275 9.998 14.531 -39.638 1.00 0.00 H new ATOM 131 N GLN A 276 9.628 12.723 -37.531 1.00 0.00 N ATOM 132 CA GLN A 276 9.935 13.331 -36.241 1.00 0.00 C ATOM 133 C GLN A 276 10.930 12.485 -35.443 1.00 0.00 C ATOM 134 O GLN A 276 11.128 12.715 -34.251 1.00 0.00 O ATOM 135 CB GLN A 276 8.648 13.500 -35.432 1.00 0.00 C ATOM 136 CG GLN A 276 7.706 14.457 -36.165 1.00 0.00 C ATOM 137 CD GLN A 276 6.399 14.596 -35.392 1.00 0.00 C ATOM 138 OE1 GLN A 276 6.103 13.780 -34.518 1.00 0.00 O ATOM 139 NE2 GLN A 276 5.593 15.587 -35.662 1.00 0.00 N ATOM 0 H GLN A 276 8.636 12.539 -37.683 1.00 0.00 H new ATOM 0 HA GLN A 276 10.390 14.304 -36.429 1.00 0.00 H new ATOM 0 HB2 GLN A 276 8.164 12.533 -35.292 1.00 0.00 H new ATOM 0 HB3 GLN A 276 8.878 13.888 -34.440 1.00 0.00 H new ATOM 0 HG2 GLN A 276 8.179 15.433 -36.275 1.00 0.00 H new ATOM 0 HG3 GLN A 276 7.506 14.085 -37.170 1.00 0.00 H new ATOM 0 HE21 GLN A 276 5.839 16.262 -36.386 1.00 0.00 H new ATOM 0 HE22 GLN A 276 4.717 15.686 -35.149 1.00 0.00 H new ATOM 148 N ILE A 277 11.546 11.502 -36.096 1.00 0.00 N ATOM 149 CA ILE A 277 12.503 10.633 -35.422 1.00 0.00 C ATOM 150 C ILE A 277 13.426 11.442 -34.518 1.00 0.00 C ATOM 151 O ILE A 277 14.014 10.904 -33.583 1.00 0.00 O ATOM 152 CB ILE A 277 13.340 9.880 -36.458 1.00 0.00 C ATOM 153 CG1 ILE A 277 14.058 8.707 -35.784 1.00 0.00 C ATOM 154 CG2 ILE A 277 14.377 10.829 -37.062 1.00 0.00 C ATOM 155 CD1 ILE A 277 14.654 7.791 -36.855 1.00 0.00 C ATOM 0 H ILE A 277 11.400 11.290 -37.083 1.00 0.00 H new ATOM 0 HA ILE A 277 11.947 9.922 -34.810 1.00 0.00 H new ATOM 0 HB ILE A 277 12.687 9.503 -37.245 1.00 0.00 H new ATOM 0 HG12 ILE A 277 14.845 9.077 -35.128 1.00 0.00 H new ATOM 0 HG13 ILE A 277 13.360 8.149 -35.160 1.00 0.00 H new ATOM 0 HG21 ILE A 277 14.974 10.293 -37.800 1.00 0.00 H new ATOM 0 HG22 ILE A 277 13.869 11.665 -37.543 1.00 0.00 H new ATOM 0 HG23 ILE A 277 15.028 11.206 -36.273 1.00 0.00 H new ATOM 0 HD11 ILE A 277 15.165 6.956 -36.376 1.00 0.00 H new ATOM 0 HD12 ILE A 277 13.856 7.410 -37.493 1.00 0.00 H new ATOM 0 HD13 ILE A 277 15.365 8.353 -37.460 1.00 0.00 H new ATOM 167 N ILE A 278 13.550 12.735 -34.792 1.00 0.00 N ATOM 168 CA ILE A 278 14.408 13.584 -33.976 1.00 0.00 C ATOM 169 C ILE A 278 14.018 13.456 -32.507 1.00 0.00 C ATOM 170 O ILE A 278 14.840 13.658 -31.614 1.00 0.00 O ATOM 171 CB ILE A 278 14.293 15.043 -34.433 1.00 0.00 C ATOM 172 CG1 ILE A 278 12.900 15.592 -34.100 1.00 0.00 C ATOM 173 CG2 ILE A 278 14.518 15.122 -35.943 1.00 0.00 C ATOM 174 CD1 ILE A 278 12.805 17.047 -34.563 1.00 0.00 C ATOM 0 H ILE A 278 13.076 13.212 -35.559 1.00 0.00 H new ATOM 0 HA ILE A 278 15.443 13.263 -34.094 1.00 0.00 H new ATOM 0 HB ILE A 278 15.045 15.637 -33.915 1.00 0.00 H new ATOM 0 HG12 ILE A 278 12.133 14.992 -34.590 1.00 0.00 H new ATOM 0 HG13 ILE A 278 12.718 15.527 -33.027 1.00 0.00 H new ATOM 0 HG21 ILE A 278 14.436 16.159 -36.269 1.00 0.00 H new ATOM 0 HG22 ILE A 278 15.511 14.743 -36.183 1.00 0.00 H new ATOM 0 HG23 ILE A 278 13.767 14.520 -36.455 1.00 0.00 H new ATOM 0 HD11 ILE A 278 11.816 17.440 -34.328 1.00 0.00 H new ATOM 0 HD12 ILE A 278 13.563 17.642 -34.052 1.00 0.00 H new ATOM 0 HD13 ILE A 278 12.969 17.098 -35.639 1.00 0.00 H new ATOM 186 N ASN A 279 12.754 13.108 -32.271 1.00 0.00 N ATOM 187 CA ASN A 279 12.246 12.937 -30.913 1.00 0.00 C ATOM 188 C ASN A 279 11.833 11.487 -30.675 1.00 0.00 C ATOM 189 O ASN A 279 10.822 11.215 -30.029 1.00 0.00 O ATOM 190 CB ASN A 279 11.053 13.866 -30.674 1.00 0.00 C ATOM 191 CG ASN A 279 9.951 13.584 -31.689 1.00 0.00 C ATOM 192 OD1 ASN A 279 9.443 14.509 -32.322 1.00 0.00 O ATOM 193 ND2 ASN A 279 9.546 12.360 -31.882 1.00 0.00 N ATOM 0 H ASN A 279 12.064 12.939 -33.003 1.00 0.00 H new ATOM 0 HA ASN A 279 13.041 13.193 -30.213 1.00 0.00 H new ATOM 0 HB2 ASN A 279 10.670 13.725 -29.663 1.00 0.00 H new ATOM 0 HB3 ASN A 279 11.371 14.905 -30.752 1.00 0.00 H new ATOM 0 HD21 ASN A 279 8.807 12.168 -32.558 1.00 0.00 H new ATOM 0 HD22 ASN A 279 9.968 11.594 -31.357 1.00 0.00 H new ATOM 200 N LYS A 280 12.614 10.562 -31.219 1.00 0.00 N ATOM 201 CA LYS A 280 12.322 9.140 -31.076 1.00 0.00 C ATOM 202 C LYS A 280 12.351 8.700 -29.610 1.00 0.00 C ATOM 203 O LYS A 280 11.824 7.642 -29.267 1.00 0.00 O ATOM 204 CB LYS A 280 13.323 8.315 -31.902 1.00 0.00 C ATOM 205 CG LYS A 280 14.670 8.183 -31.173 1.00 0.00 C ATOM 206 CD LYS A 280 15.285 9.567 -30.953 1.00 0.00 C ATOM 207 CE LYS A 280 16.708 9.412 -30.412 1.00 0.00 C ATOM 208 NZ LYS A 280 16.814 8.136 -29.650 1.00 0.00 N ATOM 0 H LYS A 280 13.452 10.769 -31.762 1.00 0.00 H new ATOM 0 HA LYS A 280 11.313 8.965 -31.450 1.00 0.00 H new ATOM 0 HB2 LYS A 280 12.911 7.324 -32.093 1.00 0.00 H new ATOM 0 HB3 LYS A 280 13.476 8.789 -32.872 1.00 0.00 H new ATOM 0 HG2 LYS A 280 14.527 7.683 -30.215 1.00 0.00 H new ATOM 0 HG3 LYS A 280 15.350 7.563 -31.757 1.00 0.00 H new ATOM 0 HD2 LYS A 280 15.299 10.124 -31.890 1.00 0.00 H new ATOM 0 HD3 LYS A 280 14.678 10.139 -30.251 1.00 0.00 H new ATOM 0 HE2 LYS A 280 17.424 9.417 -31.234 1.00 0.00 H new ATOM 0 HE3 LYS A 280 16.957 10.255 -29.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 17.690 8.138 -29.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 15.996 8.042 -29.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 16.830 7.336 -30.314 1.00 0.00 H new ATOM 222 N LYS A 281 12.988 9.495 -28.753 1.00 0.00 N ATOM 223 CA LYS A 281 13.091 9.141 -27.339 1.00 0.00 C ATOM 224 C LYS A 281 11.715 8.950 -26.702 1.00 0.00 C ATOM 225 O LYS A 281 11.586 8.256 -25.693 1.00 0.00 O ATOM 226 CB LYS A 281 13.906 10.199 -26.572 1.00 0.00 C ATOM 227 CG LYS A 281 13.084 11.473 -26.317 1.00 0.00 C ATOM 228 CD LYS A 281 12.816 12.194 -27.638 1.00 0.00 C ATOM 229 CE LYS A 281 12.454 13.656 -27.353 1.00 0.00 C ATOM 230 NZ LYS A 281 11.134 13.715 -26.664 1.00 0.00 N ATOM 0 H LYS A 281 13.435 10.376 -29.007 1.00 0.00 H new ATOM 0 HA LYS A 281 13.615 8.187 -27.276 1.00 0.00 H new ATOM 0 HB2 LYS A 281 14.238 9.783 -25.621 1.00 0.00 H new ATOM 0 HB3 LYS A 281 14.802 10.451 -27.140 1.00 0.00 H new ATOM 0 HG2 LYS A 281 12.141 11.217 -25.835 1.00 0.00 H new ATOM 0 HG3 LYS A 281 13.621 12.132 -25.636 1.00 0.00 H new ATOM 0 HD2 LYS A 281 13.697 12.144 -28.278 1.00 0.00 H new ATOM 0 HD3 LYS A 281 12.003 11.704 -28.175 1.00 0.00 H new ATOM 0 HE2 LYS A 281 13.222 14.118 -26.732 1.00 0.00 H new ATOM 0 HE3 LYS A 281 12.416 14.221 -28.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 11.072 14.591 -26.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 10.372 13.701 -27.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 11.035 12.895 -26.032 1.00 0.00 H new ATOM 244 N LEU A 282 10.689 9.563 -27.285 1.00 0.00 N ATOM 245 CA LEU A 282 9.340 9.436 -26.741 1.00 0.00 C ATOM 246 C LEU A 282 8.932 7.967 -26.655 1.00 0.00 C ATOM 247 O LEU A 282 8.275 7.551 -25.700 1.00 0.00 O ATOM 248 CB LEU A 282 8.343 10.195 -27.621 1.00 0.00 C ATOM 249 CG LEU A 282 8.722 11.677 -27.679 1.00 0.00 C ATOM 250 CD1 LEU A 282 7.710 12.427 -28.548 1.00 0.00 C ATOM 251 CD2 LEU A 282 8.711 12.269 -26.265 1.00 0.00 C ATOM 0 H LEU A 282 10.762 10.144 -28.120 1.00 0.00 H new ATOM 0 HA LEU A 282 9.334 9.863 -25.738 1.00 0.00 H new ATOM 0 HB2 LEU A 282 8.337 9.773 -28.626 1.00 0.00 H new ATOM 0 HB3 LEU A 282 7.335 10.084 -27.222 1.00 0.00 H new ATOM 0 HG LEU A 282 9.720 11.777 -28.106 1.00 0.00 H new ATOM 0 HD11 LEU A 282 7.978 13.483 -28.590 1.00 0.00 H new ATOM 0 HD12 LEU A 282 7.716 12.010 -29.555 1.00 0.00 H new ATOM 0 HD13 LEU A 282 6.714 12.323 -28.118 1.00 0.00 H new ATOM 0 HD21 LEU A 282 8.981 13.324 -26.310 1.00 0.00 H new ATOM 0 HD22 LEU A 282 7.714 12.168 -25.836 1.00 0.00 H new ATOM 0 HD23 LEU A 282 9.430 11.737 -25.642 1.00 0.00 H new ATOM 263 N ASP A 283 9.331 7.183 -27.652 1.00 0.00 N ATOM 264 CA ASP A 283 9.010 5.755 -27.675 1.00 0.00 C ATOM 265 C ASP A 283 10.275 4.929 -27.881 1.00 0.00 C ATOM 266 O ASP A 283 10.925 5.025 -28.920 1.00 0.00 O ATOM 267 CB ASP A 283 8.012 5.458 -28.796 1.00 0.00 C ATOM 268 CG ASP A 283 6.646 6.040 -28.447 1.00 0.00 C ATOM 269 OD1 ASP A 283 6.476 6.465 -27.316 1.00 0.00 O ATOM 270 OD2 ASP A 283 5.789 6.051 -29.316 1.00 0.00 O ATOM 0 H ASP A 283 9.874 7.508 -28.452 1.00 0.00 H new ATOM 0 HA ASP A 283 8.564 5.486 -26.717 1.00 0.00 H new ATOM 0 HB2 ASP A 283 8.369 5.884 -29.734 1.00 0.00 H new ATOM 0 HB3 ASP A 283 7.930 4.381 -28.945 1.00 0.00 H new ATOM 275 N LEU A 284 10.617 4.116 -26.888 1.00 0.00 N ATOM 276 CA LEU A 284 11.806 3.276 -26.977 1.00 0.00 C ATOM 277 C LEU A 284 11.502 2.002 -27.762 1.00 0.00 C ATOM 278 O LEU A 284 12.295 1.061 -27.766 1.00 0.00 O ATOM 279 CB LEU A 284 12.314 2.919 -25.571 1.00 0.00 C ATOM 280 CG LEU A 284 11.258 2.090 -24.802 1.00 0.00 C ATOM 281 CD1 LEU A 284 11.933 0.901 -24.105 1.00 0.00 C ATOM 282 CD2 LEU A 284 10.580 2.966 -23.741 1.00 0.00 C ATOM 0 H LEU A 284 10.093 4.021 -26.018 1.00 0.00 H new ATOM 0 HA LEU A 284 12.582 3.833 -27.501 1.00 0.00 H new ATOM 0 HB2 LEU A 284 13.243 2.353 -25.647 1.00 0.00 H new ATOM 0 HB3 LEU A 284 12.541 3.831 -25.018 1.00 0.00 H new ATOM 0 HG LEU A 284 10.514 1.727 -25.511 1.00 0.00 H new ATOM 0 HD11 LEU A 284 11.183 0.322 -23.566 1.00 0.00 H new ATOM 0 HD12 LEU A 284 12.414 0.267 -24.850 1.00 0.00 H new ATOM 0 HD13 LEU A 284 12.682 1.268 -23.403 1.00 0.00 H new ATOM 0 HD21 LEU A 284 9.838 2.377 -23.203 1.00 0.00 H new ATOM 0 HD22 LEU A 284 11.329 3.334 -23.040 1.00 0.00 H new ATOM 0 HD23 LEU A 284 10.091 3.811 -24.225 1.00 0.00 H new ATOM 294 N SER A 285 10.339 1.974 -28.408 1.00 0.00 N ATOM 295 CA SER A 285 9.925 0.802 -29.172 1.00 0.00 C ATOM 296 C SER A 285 11.071 0.257 -30.013 1.00 0.00 C ATOM 297 O SER A 285 11.203 -0.956 -30.175 1.00 0.00 O ATOM 298 CB SER A 285 8.755 1.166 -30.085 1.00 0.00 C ATOM 299 OG SER A 285 9.206 2.063 -31.091 1.00 0.00 O ATOM 0 H SER A 285 9.671 2.745 -28.418 1.00 0.00 H new ATOM 0 HA SER A 285 9.619 0.031 -28.465 1.00 0.00 H new ATOM 0 HB2 SER A 285 8.342 0.267 -30.542 1.00 0.00 H new ATOM 0 HB3 SER A 285 7.955 1.625 -29.504 1.00 0.00 H new ATOM 0 HG SER A 285 8.458 2.297 -31.680 1.00 0.00 H new ATOM 305 N ASN A 286 11.907 1.142 -30.541 1.00 0.00 N ATOM 306 CA ASN A 286 13.032 0.694 -31.346 1.00 0.00 C ATOM 307 C ASN A 286 13.980 -0.149 -30.498 1.00 0.00 C ATOM 308 O ASN A 286 14.470 -1.188 -30.940 1.00 0.00 O ATOM 309 CB ASN A 286 13.782 1.896 -31.927 1.00 0.00 C ATOM 310 CG ASN A 286 14.308 2.789 -30.806 1.00 0.00 C ATOM 311 OD1 ASN A 286 15.304 3.489 -30.987 1.00 0.00 O ATOM 312 ND2 ASN A 286 13.692 2.812 -29.656 1.00 0.00 N ATOM 0 H ASN A 286 11.830 2.153 -30.429 1.00 0.00 H new ATOM 0 HA ASN A 286 12.652 0.086 -32.167 1.00 0.00 H new ATOM 0 HB2 ASN A 286 14.611 1.551 -32.545 1.00 0.00 H new ATOM 0 HB3 ASN A 286 13.118 2.468 -32.575 1.00 0.00 H new ATOM 0 HD21 ASN A 286 14.036 3.411 -28.905 1.00 0.00 H new ATOM 0 HD22 ASN A 286 12.867 2.231 -29.508 1.00 0.00 H new ATOM 319 N VAL A 287 14.225 0.305 -29.272 1.00 0.00 N ATOM 320 CA VAL A 287 15.105 -0.411 -28.356 1.00 0.00 C ATOM 321 C VAL A 287 14.442 -1.682 -27.832 1.00 0.00 C ATOM 322 O VAL A 287 15.110 -2.691 -27.605 1.00 0.00 O ATOM 323 CB VAL A 287 15.479 0.490 -27.180 1.00 0.00 C ATOM 324 CG1 VAL A 287 16.281 -0.314 -26.154 1.00 0.00 C ATOM 325 CG2 VAL A 287 16.327 1.660 -27.684 1.00 0.00 C ATOM 0 H VAL A 287 13.827 1.164 -28.891 1.00 0.00 H new ATOM 0 HA VAL A 287 16.004 -0.692 -28.905 1.00 0.00 H new ATOM 0 HB VAL A 287 14.571 0.872 -26.713 1.00 0.00 H new ATOM 0 HG11 VAL A 287 16.547 0.329 -25.315 1.00 0.00 H new ATOM 0 HG12 VAL A 287 15.679 -1.148 -25.794 1.00 0.00 H new ATOM 0 HG13 VAL A 287 17.189 -0.696 -26.621 1.00 0.00 H new ATOM 0 HG21 VAL A 287 16.594 2.303 -26.846 1.00 0.00 H new ATOM 0 HG22 VAL A 287 17.234 1.277 -28.151 1.00 0.00 H new ATOM 0 HG23 VAL A 287 15.757 2.234 -28.415 1.00 0.00 H new