USER MOD reduce.3.24.130724 H: found=0, std=0, add=161, rem=0, adj=6 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 268 HIS : no HD1:sc= -4.58! C(o=-14!,f=-21!) USER MOD Set 1.2: A 269 GLN : amide:sc= -10.8! C(o=-14!,f=-20!) USER MOD Set 1.3: A 286 ASN :FLIP amide:sc= 0.906 F(o=-15,f=-14) USER MOD Single : A 274 LYS NZ :NH3+ -106:sc= -2.48 (180deg=-5.59!) USER MOD Single : A 276 GLN :FLIP amide:sc= -0.586 F(o=-3.6!,f=-0.59) USER MOD Single : A 279 ASN : amide:sc= -0.0243 X(o=-0.024,f=0) USER MOD Single : A 280 LYS NZ :NH3+ -136:sc= -0.635 (180deg=-2.82!) USER MOD Single : A 281 LYS NZ :NH3+ 159:sc=-0.00215 (180deg=-0.559) USER MOD Single : A 285 SER OG : rot 82:sc= 0.738 USER MOD ----------------------------------------------------------------- ATOM 23 N HIS A 268 2.368 8.834 -27.990 1.00 0.00 N ATOM 24 CA HIS A 268 2.844 10.105 -27.458 1.00 0.00 C ATOM 25 C HIS A 268 1.738 10.792 -26.664 1.00 0.00 C ATOM 26 O HIS A 268 0.558 10.659 -26.988 1.00 0.00 O ATOM 27 CB HIS A 268 3.297 11.016 -28.601 1.00 0.00 C ATOM 28 CG HIS A 268 3.825 12.307 -28.038 1.00 0.00 C ATOM 29 ND1 HIS A 268 4.979 12.362 -27.273 1.00 0.00 N ATOM 30 CD2 HIS A 268 3.367 13.599 -28.118 1.00 0.00 C ATOM 31 CE1 HIS A 268 5.174 13.647 -26.924 1.00 0.00 C ATOM 32 NE2 HIS A 268 4.220 14.443 -27.415 1.00 0.00 N ATOM 0 HA HIS A 268 3.689 9.911 -26.797 1.00 0.00 H new ATOM 0 HB2 HIS A 268 4.070 10.521 -29.190 1.00 0.00 H new ATOM 0 HB3 HIS A 268 2.463 11.215 -29.273 1.00 0.00 H new ATOM 0 HD2 HIS A 268 2.479 13.912 -28.647 1.00 0.00 H new ATOM 0 HE1 HIS A 268 6.001 13.992 -26.321 1.00 0.00 H new ATOM 0 HE2 HIS A 268 4.135 15.453 -27.299 1.00 0.00 H new ATOM 41 N GLN A 269 2.121 11.523 -25.622 1.00 0.00 N ATOM 42 CA GLN A 269 1.141 12.216 -24.798 1.00 0.00 C ATOM 43 C GLN A 269 0.407 13.273 -25.624 1.00 0.00 C ATOM 44 O GLN A 269 0.989 13.882 -26.521 1.00 0.00 O ATOM 45 CB GLN A 269 1.836 12.886 -23.608 1.00 0.00 C ATOM 46 CG GLN A 269 3.180 13.468 -24.056 1.00 0.00 C ATOM 47 CD GLN A 269 4.271 12.406 -23.950 1.00 0.00 C ATOM 48 OE1 GLN A 269 4.786 11.940 -24.965 1.00 0.00 O ATOM 49 NE2 GLN A 269 4.655 11.993 -22.773 1.00 0.00 N ATOM 0 H GLN A 269 3.091 11.649 -25.332 1.00 0.00 H new ATOM 0 HA GLN A 269 0.419 11.487 -24.430 1.00 0.00 H new ATOM 0 HB2 GLN A 269 1.204 13.676 -23.203 1.00 0.00 H new ATOM 0 HB3 GLN A 269 1.991 12.161 -22.809 1.00 0.00 H new ATOM 0 HG2 GLN A 269 3.107 13.824 -25.083 1.00 0.00 H new ATOM 0 HG3 GLN A 269 3.437 14.328 -23.438 1.00 0.00 H new ATOM 0 HE21 GLN A 269 4.227 12.380 -21.932 1.00 0.00 H new ATOM 0 HE22 GLN A 269 5.383 11.283 -22.694 1.00 0.00 H new ATOM 58 N PRO A 270 -0.850 13.496 -25.340 1.00 0.00 N ATOM 59 CA PRO A 270 -1.660 14.508 -26.085 1.00 0.00 C ATOM 60 C PRO A 270 -1.039 15.902 -26.013 1.00 0.00 C ATOM 61 O PRO A 270 -0.369 16.243 -25.038 1.00 0.00 O ATOM 62 CB PRO A 270 -3.028 14.471 -25.394 1.00 0.00 C ATOM 63 CG PRO A 270 -2.765 13.928 -24.032 1.00 0.00 C ATOM 64 CD PRO A 270 -1.582 12.975 -24.174 1.00 0.00 C ATOM 0 HA PRO A 270 -1.720 14.282 -27.150 1.00 0.00 H new ATOM 0 HB2 PRO A 270 -3.470 15.466 -25.342 1.00 0.00 H new ATOM 0 HB3 PRO A 270 -3.728 13.840 -25.941 1.00 0.00 H new ATOM 0 HG2 PRO A 270 -2.536 14.730 -23.331 1.00 0.00 H new ATOM 0 HG3 PRO A 270 -3.641 13.407 -23.645 1.00 0.00 H new ATOM 0 HD2 PRO A 270 -0.960 12.973 -23.279 1.00 0.00 H new ATOM 0 HD3 PRO A 270 -1.912 11.949 -24.335 1.00 0.00 H new ATOM 72 N GLY A 271 -1.263 16.698 -27.053 1.00 0.00 N ATOM 73 CA GLY A 271 -0.717 18.050 -27.100 1.00 0.00 C ATOM 74 C GLY A 271 -1.150 18.863 -25.886 1.00 0.00 C ATOM 75 O GLY A 271 -0.401 19.709 -25.395 1.00 0.00 O ATOM 0 H GLY A 271 -1.815 16.433 -27.869 1.00 0.00 H new ATOM 0 HA2 GLY A 271 0.371 18.004 -27.141 1.00 0.00 H new ATOM 0 HA3 GLY A 271 -1.049 18.547 -28.011 1.00 0.00 H new ATOM 79 N GLY A 272 -2.361 18.605 -25.407 1.00 0.00 N ATOM 80 CA GLY A 272 -2.886 19.322 -24.249 1.00 0.00 C ATOM 81 C GLY A 272 -4.380 19.578 -24.405 1.00 0.00 C ATOM 82 O GLY A 272 -5.143 19.467 -23.446 1.00 0.00 O ATOM 0 H GLY A 272 -2.995 17.909 -25.799 1.00 0.00 H new ATOM 0 HA2 GLY A 272 -2.704 18.743 -23.344 1.00 0.00 H new ATOM 0 HA3 GLY A 272 -2.360 20.270 -24.133 1.00 0.00 H new ATOM 86 N GLY A 273 -4.791 19.915 -25.622 1.00 0.00 N ATOM 87 CA GLY A 273 -6.199 20.176 -25.896 1.00 0.00 C ATOM 88 C GLY A 273 -6.993 18.877 -25.879 1.00 0.00 C ATOM 89 O GLY A 273 -8.164 18.844 -26.261 1.00 0.00 O ATOM 0 H GLY A 273 -4.175 20.013 -26.429 1.00 0.00 H new ATOM 0 HA2 GLY A 273 -6.599 20.864 -25.151 1.00 0.00 H new ATOM 0 HA3 GLY A 273 -6.303 20.661 -26.867 1.00 0.00 H new ATOM 93 N LYS A 274 -6.342 17.807 -25.437 1.00 0.00 N ATOM 94 CA LYS A 274 -6.983 16.499 -25.372 1.00 0.00 C ATOM 95 C LYS A 274 -7.292 15.985 -26.772 1.00 0.00 C ATOM 96 O LYS A 274 -8.382 15.473 -27.029 1.00 0.00 O ATOM 97 CB LYS A 274 -8.279 16.585 -24.565 1.00 0.00 C ATOM 98 CG LYS A 274 -8.706 15.178 -24.135 1.00 0.00 C ATOM 99 CD LYS A 274 -10.169 15.202 -23.685 1.00 0.00 C ATOM 100 CE LYS A 274 -10.287 15.963 -22.363 1.00 0.00 C ATOM 101 NZ LYS A 274 -10.203 17.428 -22.624 1.00 0.00 N ATOM 0 H LYS A 274 -5.373 17.819 -25.119 1.00 0.00 H new ATOM 0 HA LYS A 274 -6.297 15.808 -24.882 1.00 0.00 H new ATOM 0 HB2 LYS A 274 -8.133 17.216 -23.689 1.00 0.00 H new ATOM 0 HB3 LYS A 274 -9.063 17.048 -25.164 1.00 0.00 H new ATOM 0 HG2 LYS A 274 -8.581 14.480 -24.963 1.00 0.00 H new ATOM 0 HG3 LYS A 274 -8.070 14.826 -23.322 1.00 0.00 H new ATOM 0 HD2 LYS A 274 -10.786 15.678 -24.447 1.00 0.00 H new ATOM 0 HD3 LYS A 274 -10.540 14.184 -23.565 1.00 0.00 H new ATOM 0 HE2 LYS A 274 -11.232 15.723 -21.876 1.00 0.00 H new ATOM 0 HE3 LYS A 274 -9.492 15.658 -21.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 -9.275 17.783 -22.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 -10.322 17.607 -23.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 -10.953 17.918 -22.096 1.00 0.00 H new ATOM 115 N VAL A 275 -6.326 16.116 -27.675 1.00 0.00 N ATOM 116 CA VAL A 275 -6.516 15.649 -29.041 1.00 0.00 C ATOM 117 C VAL A 275 -6.745 14.143 -29.040 1.00 0.00 C ATOM 118 O VAL A 275 -7.533 13.621 -29.829 1.00 0.00 O ATOM 119 CB VAL A 275 -5.288 15.989 -29.889 1.00 0.00 C ATOM 120 CG1 VAL A 275 -5.406 15.308 -31.253 1.00 0.00 C ATOM 121 CG2 VAL A 275 -5.210 17.505 -30.084 1.00 0.00 C ATOM 0 H VAL A 275 -5.415 16.536 -27.488 1.00 0.00 H new ATOM 0 HA VAL A 275 -7.387 16.145 -29.469 1.00 0.00 H new ATOM 0 HB VAL A 275 -4.388 15.638 -29.384 1.00 0.00 H new ATOM 0 HG11 VAL A 275 -4.532 15.550 -31.857 1.00 0.00 H new ATOM 0 HG12 VAL A 275 -5.465 14.228 -31.117 1.00 0.00 H new ATOM 0 HG13 VAL A 275 -6.305 15.660 -31.759 1.00 0.00 H new ATOM 0 HG21 VAL A 275 -4.336 17.750 -30.688 1.00 0.00 H new ATOM 0 HG22 VAL A 275 -6.110 17.853 -30.590 1.00 0.00 H new ATOM 0 HG23 VAL A 275 -5.128 17.993 -29.113 1.00 0.00 H new ATOM 131 N GLN A 276 -6.055 13.452 -28.136 1.00 0.00 N ATOM 132 CA GLN A 276 -6.187 12.003 -28.016 1.00 0.00 C ATOM 133 C GLN A 276 -6.838 11.638 -26.685 1.00 0.00 C ATOM 134 O GLN A 276 -6.605 12.291 -25.667 1.00 0.00 O ATOM 135 CB GLN A 276 -4.806 11.345 -28.114 1.00 0.00 C ATOM 136 CG GLN A 276 -4.200 11.600 -29.512 1.00 0.00 C ATOM 137 CD GLN A 276 -2.919 12.423 -29.399 1.00 0.00 C ATOM 138 OE1 GLN A 276 -2.992 13.672 -29.030 1.00 0.00 O flip ATOM 139 NE2 GLN A 276 -1.827 11.914 -29.650 1.00 0.00 N flip ATOM 0 H GLN A 276 -5.400 13.872 -27.477 1.00 0.00 H new ATOM 0 HA GLN A 276 -6.818 11.641 -28.828 1.00 0.00 H new ATOM 0 HB2 GLN A 276 -4.147 11.746 -27.344 1.00 0.00 H new ATOM 0 HB3 GLN A 276 -4.891 10.273 -27.935 1.00 0.00 H new ATOM 0 HG2 GLN A 276 -3.986 10.649 -30.001 1.00 0.00 H new ATOM 0 HG3 GLN A 276 -4.922 12.125 -30.137 1.00 0.00 H new ATOM 0 HE21 GLN A 276 -1.774 10.937 -29.938 1.00 0.00 H new ATOM 0 HE22 GLN A 276 -0.975 12.469 -29.570 1.00 0.00 H new ATOM 148 N ILE A 277 -7.657 10.595 -26.703 1.00 0.00 N ATOM 149 CA ILE A 277 -8.344 10.146 -25.497 1.00 0.00 C ATOM 150 C ILE A 277 -7.347 9.671 -24.445 1.00 0.00 C ATOM 151 O ILE A 277 -7.673 9.593 -23.261 1.00 0.00 O ATOM 152 CB ILE A 277 -9.290 8.997 -25.842 1.00 0.00 C ATOM 153 CG1 ILE A 277 -10.258 8.759 -24.680 1.00 0.00 C ATOM 154 CG2 ILE A 277 -8.468 7.732 -26.088 1.00 0.00 C ATOM 155 CD1 ILE A 277 -11.402 7.858 -25.146 1.00 0.00 C ATOM 0 H ILE A 277 -7.862 10.044 -27.537 1.00 0.00 H new ATOM 0 HA ILE A 277 -8.907 10.988 -25.093 1.00 0.00 H new ATOM 0 HB ILE A 277 -9.860 9.248 -26.737 1.00 0.00 H new ATOM 0 HG12 ILE A 277 -9.733 8.296 -23.845 1.00 0.00 H new ATOM 0 HG13 ILE A 277 -10.653 9.709 -24.321 1.00 0.00 H new ATOM 0 HG21 ILE A 277 -9.136 6.907 -26.335 1.00 0.00 H new ATOM 0 HG22 ILE A 277 -7.779 7.901 -26.915 1.00 0.00 H new ATOM 0 HG23 ILE A 277 -7.903 7.485 -25.189 1.00 0.00 H new ATOM 0 HD11 ILE A 277 -12.091 7.688 -24.319 1.00 0.00 H new ATOM 0 HD12 ILE A 277 -11.932 8.339 -25.968 1.00 0.00 H new ATOM 0 HD13 ILE A 277 -10.999 6.903 -25.484 1.00 0.00 H new ATOM 167 N ILE A 278 -6.141 9.337 -24.887 1.00 0.00 N ATOM 168 CA ILE A 278 -5.120 8.848 -23.970 1.00 0.00 C ATOM 169 C ILE A 278 -4.738 9.924 -22.971 1.00 0.00 C ATOM 170 O ILE A 278 -4.461 11.066 -23.338 1.00 0.00 O ATOM 171 CB ILE A 278 -3.882 8.407 -24.752 1.00 0.00 C ATOM 172 CG1 ILE A 278 -4.271 7.305 -25.740 1.00 0.00 C ATOM 173 CG2 ILE A 278 -2.829 7.869 -23.781 1.00 0.00 C ATOM 174 CD1 ILE A 278 -3.066 6.953 -26.615 1.00 0.00 C ATOM 0 H ILE A 278 -5.848 9.395 -25.862 1.00 0.00 H new ATOM 0 HA ILE A 278 -5.526 7.995 -23.426 1.00 0.00 H new ATOM 0 HB ILE A 278 -3.474 9.259 -25.296 1.00 0.00 H new ATOM 0 HG12 ILE A 278 -4.612 6.422 -25.200 1.00 0.00 H new ATOM 0 HG13 ILE A 278 -5.101 7.637 -26.363 1.00 0.00 H new ATOM 0 HG21 ILE A 278 -1.947 7.555 -24.339 1.00 0.00 H new ATOM 0 HG22 ILE A 278 -2.552 8.651 -23.074 1.00 0.00 H new ATOM 0 HG23 ILE A 278 -3.237 7.017 -23.237 1.00 0.00 H new ATOM 0 HD11 ILE A 278 -3.344 6.168 -27.318 1.00 0.00 H new ATOM 0 HD12 ILE A 278 -2.746 7.837 -27.166 1.00 0.00 H new ATOM 0 HD13 ILE A 278 -2.249 6.603 -25.985 1.00 0.00 H new ATOM 186 N ASN A 279 -4.729 9.543 -21.701 1.00 0.00 N ATOM 187 CA ASN A 279 -4.384 10.472 -20.641 1.00 0.00 C ATOM 188 C ASN A 279 -2.877 10.489 -20.426 1.00 0.00 C ATOM 189 O ASN A 279 -2.207 9.464 -20.550 1.00 0.00 O ATOM 190 CB ASN A 279 -5.097 10.079 -19.347 1.00 0.00 C ATOM 191 CG ASN A 279 -6.598 10.307 -19.496 1.00 0.00 C ATOM 192 OD1 ASN A 279 -7.123 11.316 -19.027 1.00 0.00 O ATOM 193 ND2 ASN A 279 -7.323 9.427 -20.131 1.00 0.00 N ATOM 0 H ASN A 279 -4.956 8.601 -21.383 1.00 0.00 H new ATOM 0 HA ASN A 279 -4.707 11.472 -20.931 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -4.900 9.032 -19.116 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -4.711 10.668 -18.515 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -8.326 9.575 -20.239 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -6.886 8.591 -20.519 1.00 0.00 H new ATOM 200 N LYS A 280 -2.353 11.665 -20.122 1.00 0.00 N ATOM 201 CA LYS A 280 -0.918 11.823 -19.909 1.00 0.00 C ATOM 202 C LYS A 280 -0.412 10.798 -18.894 1.00 0.00 C ATOM 203 O LYS A 280 0.713 10.309 -19.001 1.00 0.00 O ATOM 204 CB LYS A 280 -0.598 13.253 -19.409 1.00 0.00 C ATOM 205 CG LYS A 280 -1.873 14.105 -19.364 1.00 0.00 C ATOM 206 CD LYS A 280 -2.357 14.397 -20.790 1.00 0.00 C ATOM 207 CE LYS A 280 -3.873 14.628 -20.793 1.00 0.00 C ATOM 208 NZ LYS A 280 -4.208 15.698 -21.776 1.00 0.00 N ATOM 0 H LYS A 280 -2.895 12.523 -20.017 1.00 0.00 H new ATOM 0 HA LYS A 280 -0.413 11.659 -20.861 1.00 0.00 H new ATOM 0 HB2 LYS A 280 -0.150 13.206 -18.416 1.00 0.00 H new ATOM 0 HB3 LYS A 280 0.135 13.719 -20.068 1.00 0.00 H new ATOM 0 HG2 LYS A 280 -2.650 13.582 -18.807 1.00 0.00 H new ATOM 0 HG3 LYS A 280 -1.678 15.040 -18.838 1.00 0.00 H new ATOM 0 HD2 LYS A 280 -1.846 15.276 -21.183 1.00 0.00 H new ATOM 0 HD3 LYS A 280 -2.107 13.563 -21.446 1.00 0.00 H new ATOM 0 HE2 LYS A 280 -4.392 13.705 -21.052 1.00 0.00 H new ATOM 0 HE3 LYS A 280 -4.210 14.915 -19.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 -4.899 16.352 -21.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 -3.345 16.221 -22.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 -4.615 15.269 -22.631 1.00 0.00 H new ATOM 222 N LYS A 281 -1.244 10.482 -17.908 1.00 0.00 N ATOM 223 CA LYS A 281 -0.861 9.520 -16.880 1.00 0.00 C ATOM 224 C LYS A 281 -0.519 8.167 -17.501 1.00 0.00 C ATOM 225 O LYS A 281 0.415 7.492 -17.066 1.00 0.00 O ATOM 226 CB LYS A 281 -2.005 9.342 -15.878 1.00 0.00 C ATOM 227 CG LYS A 281 -2.201 10.631 -15.069 1.00 0.00 C ATOM 228 CD LYS A 281 -2.988 11.658 -15.893 1.00 0.00 C ATOM 229 CE LYS A 281 -3.527 12.749 -14.964 1.00 0.00 C ATOM 230 NZ LYS A 281 -2.452 13.179 -14.027 1.00 0.00 N ATOM 0 H LYS A 281 -2.180 10.873 -17.798 1.00 0.00 H new ATOM 0 HA LYS A 281 0.021 9.905 -16.367 1.00 0.00 H new ATOM 0 HB2 LYS A 281 -2.925 9.091 -16.405 1.00 0.00 H new ATOM 0 HB3 LYS A 281 -1.785 8.512 -15.207 1.00 0.00 H new ATOM 0 HG2 LYS A 281 -2.734 10.411 -14.144 1.00 0.00 H new ATOM 0 HG3 LYS A 281 -1.232 11.044 -14.789 1.00 0.00 H new ATOM 0 HD2 LYS A 281 -2.345 12.099 -16.655 1.00 0.00 H new ATOM 0 HD3 LYS A 281 -3.811 11.169 -16.414 1.00 0.00 H new ATOM 0 HE2 LYS A 281 -3.876 13.600 -15.549 1.00 0.00 H new ATOM 0 HE3 LYS A 281 -4.384 12.374 -14.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 -2.675 14.123 -13.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 -2.385 12.502 -13.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 -1.544 13.213 -14.533 1.00 0.00 H new ATOM 244 N LEU A 282 -1.286 7.775 -18.514 1.00 0.00 N ATOM 245 CA LEU A 282 -1.063 6.498 -19.185 1.00 0.00 C ATOM 246 C LEU A 282 0.260 6.493 -19.944 1.00 0.00 C ATOM 247 O LEU A 282 0.885 5.444 -20.108 1.00 0.00 O ATOM 248 CB LEU A 282 -2.211 6.211 -20.155 1.00 0.00 C ATOM 249 CG LEU A 282 -3.536 6.171 -19.389 1.00 0.00 C ATOM 250 CD1 LEU A 282 -4.679 5.885 -20.366 1.00 0.00 C ATOM 251 CD2 LEU A 282 -3.487 5.064 -18.328 1.00 0.00 C ATOM 0 H LEU A 282 -2.064 8.320 -18.887 1.00 0.00 H new ATOM 0 HA LEU A 282 -1.022 5.721 -18.422 1.00 0.00 H new ATOM 0 HB2 LEU A 282 -2.249 6.980 -20.926 1.00 0.00 H new ATOM 0 HB3 LEU A 282 -2.043 5.260 -20.661 1.00 0.00 H new ATOM 0 HG LEU A 282 -3.700 7.132 -18.902 1.00 0.00 H new ATOM 0 HD11 LEU A 282 -5.623 5.856 -19.823 1.00 0.00 H new ATOM 0 HD12 LEU A 282 -4.718 6.671 -21.120 1.00 0.00 H new ATOM 0 HD13 LEU A 282 -4.510 4.924 -20.852 1.00 0.00 H new ATOM 0 HD21 LEU A 282 -4.432 5.039 -17.785 1.00 0.00 H new ATOM 0 HD22 LEU A 282 -3.321 4.102 -18.813 1.00 0.00 H new ATOM 0 HD23 LEU A 282 -2.673 5.264 -17.631 1.00 0.00 H new ATOM 263 N ASP A 283 0.680 7.660 -20.419 1.00 0.00 N ATOM 264 CA ASP A 283 1.926 7.758 -21.171 1.00 0.00 C ATOM 265 C ASP A 283 3.131 7.725 -20.236 1.00 0.00 C ATOM 266 O ASP A 283 3.313 8.616 -19.406 1.00 0.00 O ATOM 267 CB ASP A 283 1.947 9.050 -21.989 1.00 0.00 C ATOM 268 CG ASP A 283 3.191 9.085 -22.869 1.00 0.00 C ATOM 269 OD1 ASP A 283 3.964 8.142 -22.807 1.00 0.00 O ATOM 270 OD2 ASP A 283 3.353 10.052 -23.593 1.00 0.00 O ATOM 0 H ASP A 283 0.183 8.543 -20.299 1.00 0.00 H new ATOM 0 HA ASP A 283 1.983 6.902 -21.843 1.00 0.00 H new ATOM 0 HB2 ASP A 283 1.051 9.114 -22.607 1.00 0.00 H new ATOM 0 HB3 ASP A 283 1.937 9.913 -21.323 1.00 0.00 H new ATOM 275 N LEU A 284 3.952 6.690 -20.385 1.00 0.00 N ATOM 276 CA LEU A 284 5.145 6.541 -19.558 1.00 0.00 C ATOM 277 C LEU A 284 6.131 7.669 -19.842 1.00 0.00 C ATOM 278 O LEU A 284 6.791 8.175 -18.935 1.00 0.00 O ATOM 279 CB LEU A 284 5.814 5.201 -19.869 1.00 0.00 C ATOM 280 CG LEU A 284 4.798 4.070 -19.704 1.00 0.00 C ATOM 281 CD1 LEU A 284 5.419 2.755 -20.178 1.00 0.00 C ATOM 282 CD2 LEU A 284 4.407 3.945 -18.229 1.00 0.00 C ATOM 0 H LEU A 284 3.814 5.945 -21.068 1.00 0.00 H new ATOM 0 HA LEU A 284 4.853 6.578 -18.509 1.00 0.00 H new ATOM 0 HB2 LEU A 284 6.206 5.206 -20.886 1.00 0.00 H new ATOM 0 HB3 LEU A 284 6.661 5.043 -19.202 1.00 0.00 H new ATOM 0 HG LEU A 284 3.911 4.290 -20.298 1.00 0.00 H new ATOM 0 HD11 LEU A 284 4.696 1.948 -20.061 1.00 0.00 H new ATOM 0 HD12 LEU A 284 5.698 2.842 -21.228 1.00 0.00 H new ATOM 0 HD13 LEU A 284 6.306 2.536 -19.583 1.00 0.00 H new ATOM 0 HD21 LEU A 284 3.683 3.139 -18.112 1.00 0.00 H new ATOM 0 HD22 LEU A 284 5.294 3.725 -17.635 1.00 0.00 H new ATOM 0 HD23 LEU A 284 3.965 4.882 -17.889 1.00 0.00 H new ATOM 294 N SER A 285 6.219 8.043 -21.115 1.00 0.00 N ATOM 295 CA SER A 285 7.122 9.104 -21.553 1.00 0.00 C ATOM 296 C SER A 285 7.525 8.856 -23.003 1.00 0.00 C ATOM 297 O SER A 285 8.708 8.729 -23.318 1.00 0.00 O ATOM 298 CB SER A 285 8.371 9.142 -20.668 1.00 0.00 C ATOM 299 OG SER A 285 8.118 9.963 -19.535 1.00 0.00 O ATOM 0 H SER A 285 5.672 7.624 -21.867 1.00 0.00 H new ATOM 0 HA SER A 285 6.610 10.063 -21.472 1.00 0.00 H new ATOM 0 HB2 SER A 285 8.636 8.134 -20.349 1.00 0.00 H new ATOM 0 HB3 SER A 285 9.219 9.531 -21.232 1.00 0.00 H new ATOM 0 HG SER A 285 7.632 9.447 -18.859 1.00 0.00 H new ATOM 305 N ASN A 286 6.526 8.768 -23.876 1.00 0.00 N ATOM 306 CA ASN A 286 6.771 8.514 -25.292 1.00 0.00 C ATOM 307 C ASN A 286 7.220 7.070 -25.497 1.00 0.00 C ATOM 308 O ASN A 286 7.079 6.514 -26.587 1.00 0.00 O ATOM 309 CB ASN A 286 7.840 9.467 -25.830 1.00 0.00 C ATOM 310 CG ASN A 286 7.730 9.563 -27.347 1.00 0.00 C ATOM 311 OD1 ASN A 286 8.594 8.934 -28.094 1.00 0.00 O flip ATOM 312 ND2 ASN A 286 6.829 10.222 -27.864 1.00 0.00 N flip ATOM 0 H ASN A 286 5.542 8.869 -23.629 1.00 0.00 H new ATOM 0 HA ASN A 286 5.842 8.682 -25.837 1.00 0.00 H new ATOM 0 HB2 ASN A 286 7.718 10.454 -25.384 1.00 0.00 H new ATOM 0 HB3 ASN A 286 8.832 9.111 -25.550 1.00 0.00 H new ATOM 0 HD21 ASN A 286 6.155 10.713 -27.277 1.00 0.00 H new ATOM 0 HD22 ASN A 286 6.756 10.278 -28.880 1.00 0.00 H new ATOM 319 N VAL A 287 7.749 6.464 -24.437 1.00 0.00 N ATOM 320 CA VAL A 287 8.201 5.080 -24.503 1.00 0.00 C ATOM 321 C VAL A 287 7.033 4.166 -24.852 1.00 0.00 C ATOM 322 O VAL A 287 7.213 3.108 -25.455 1.00 0.00 O ATOM 323 CB VAL A 287 8.799 4.659 -23.160 1.00 0.00 C ATOM 324 CG1 VAL A 287 9.107 3.162 -23.184 1.00 0.00 C ATOM 325 CG2 VAL A 287 10.091 5.441 -22.911 1.00 0.00 C ATOM 0 H VAL A 287 7.874 6.908 -23.527 1.00 0.00 H new ATOM 0 HA VAL A 287 8.965 4.997 -25.276 1.00 0.00 H new ATOM 0 HB VAL A 287 8.086 4.869 -22.363 1.00 0.00 H new ATOM 0 HG11 VAL A 287 9.533 2.863 -22.226 1.00 0.00 H new ATOM 0 HG12 VAL A 287 8.188 2.604 -23.362 1.00 0.00 H new ATOM 0 HG13 VAL A 287 9.820 2.950 -23.981 1.00 0.00 H new ATOM 0 HG21 VAL A 287 10.519 5.142 -21.954 1.00 0.00 H new ATOM 0 HG22 VAL A 287 10.803 5.230 -23.708 1.00 0.00 H new ATOM 0 HG23 VAL A 287 9.872 6.509 -22.893 1.00 0.00 H new