USER MOD reduce.3.24.130724 H: found=0, std=0, add=161, rem=0, adj=2 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 Single : A 268 HIS : no HD1:sc= -1.02 K(o=-1,f=-0.32) USER MOD Single : A 269 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 274 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 276 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.27) USER MOD Single : A 279 ASN : amide:sc= -4.71! C(o=-4.7!,f=-3.4!) USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 281 LYS NZ :NH3+ 151:sc= -0.0366 (180deg=-0.954) USER MOD Single : A 285 SER OG : rot 180:sc= 0 USER MOD Single : A 286 ASN : amide:sc=-0.000351 X(o=-0.00035,f=0) USER MOD ----------------------------------------------------------------- ATOM 23 N HIS A 268 9.255 11.666 -25.473 1.00 0.00 N ATOM 24 CA HIS A 268 10.616 11.171 -25.639 1.00 0.00 C ATOM 25 C HIS A 268 11.468 11.533 -24.427 1.00 0.00 C ATOM 26 O HIS A 268 11.313 12.607 -23.846 1.00 0.00 O ATOM 27 CB HIS A 268 11.241 11.771 -26.900 1.00 0.00 C ATOM 28 CG HIS A 268 12.637 11.239 -27.068 1.00 0.00 C ATOM 29 ND1 HIS A 268 12.893 9.904 -27.343 1.00 0.00 N ATOM 30 CD2 HIS A 268 13.865 11.850 -27.005 1.00 0.00 C ATOM 31 CE1 HIS A 268 14.228 9.757 -27.433 1.00 0.00 C ATOM 32 NE2 HIS A 268 14.867 10.912 -27.235 1.00 0.00 N ATOM 0 HA HIS A 268 10.578 10.086 -25.733 1.00 0.00 H new ATOM 0 HB2 HIS A 268 10.637 11.521 -27.772 1.00 0.00 H new ATOM 0 HB3 HIS A 268 11.261 12.858 -26.827 1.00 0.00 H new ATOM 0 HD2 HIS A 268 14.028 12.899 -26.807 1.00 0.00 H new ATOM 0 HE1 HIS A 268 14.722 8.819 -27.640 1.00 0.00 H new ATOM 0 HE2 HIS A 268 15.874 11.073 -27.249 1.00 0.00 H new ATOM 41 N GLN A 269 12.370 10.632 -24.050 1.00 0.00 N ATOM 42 CA GLN A 269 13.239 10.873 -22.906 1.00 0.00 C ATOM 43 C GLN A 269 14.140 12.077 -23.173 1.00 0.00 C ATOM 44 O GLN A 269 14.518 12.337 -24.316 1.00 0.00 O ATOM 45 CB GLN A 269 14.097 9.637 -22.631 1.00 0.00 C ATOM 46 CG GLN A 269 14.627 9.073 -23.952 1.00 0.00 C ATOM 47 CD GLN A 269 15.645 7.972 -23.676 1.00 0.00 C ATOM 48 OE1 GLN A 269 15.636 7.371 -22.602 1.00 0.00 O ATOM 49 NE2 GLN A 269 16.529 7.670 -24.588 1.00 0.00 N ATOM 0 H GLN A 269 12.517 9.737 -24.516 1.00 0.00 H new ATOM 0 HA GLN A 269 12.619 11.080 -22.034 1.00 0.00 H new ATOM 0 HB2 GLN A 269 14.928 9.898 -21.976 1.00 0.00 H new ATOM 0 HB3 GLN A 269 13.507 8.881 -22.112 1.00 0.00 H new ATOM 0 HG2 GLN A 269 13.803 8.677 -24.545 1.00 0.00 H new ATOM 0 HG3 GLN A 269 15.088 9.868 -24.538 1.00 0.00 H new ATOM 0 HE21 GLN A 269 16.535 8.169 -25.478 1.00 0.00 H new ATOM 0 HE22 GLN A 269 17.214 6.935 -24.411 1.00 0.00 H new ATOM 58 N PRO A 270 14.489 12.811 -22.148 1.00 0.00 N ATOM 59 CA PRO A 270 15.365 14.013 -22.300 1.00 0.00 C ATOM 60 C PRO A 270 16.711 13.673 -22.936 1.00 0.00 C ATOM 61 O PRO A 270 17.215 12.559 -22.794 1.00 0.00 O ATOM 62 CB PRO A 270 15.547 14.523 -20.864 1.00 0.00 C ATOM 63 CG PRO A 270 15.266 13.347 -19.998 1.00 0.00 C ATOM 64 CD PRO A 270 14.194 12.549 -20.731 1.00 0.00 C ATOM 0 HA PRO A 270 14.922 14.755 -22.964 1.00 0.00 H new ATOM 0 HB2 PRO A 270 16.558 14.898 -20.704 1.00 0.00 H new ATOM 0 HB3 PRO A 270 14.864 15.344 -20.648 1.00 0.00 H new ATOM 0 HG2 PRO A 270 16.164 12.749 -19.844 1.00 0.00 H new ATOM 0 HG3 PRO A 270 14.919 13.659 -19.013 1.00 0.00 H new ATOM 0 HD2 PRO A 270 14.253 11.486 -20.497 1.00 0.00 H new ATOM 0 HD3 PRO A 270 13.191 12.879 -20.461 1.00 0.00 H new ATOM 72 N GLY A 271 17.286 14.647 -23.635 1.00 0.00 N ATOM 73 CA GLY A 271 18.574 14.454 -24.289 1.00 0.00 C ATOM 74 C GLY A 271 19.379 15.747 -24.277 1.00 0.00 C ATOM 75 O GLY A 271 20.109 16.046 -25.223 1.00 0.00 O ATOM 0 H GLY A 271 16.881 15.575 -23.762 1.00 0.00 H new ATOM 0 HA2 GLY A 271 19.132 13.667 -23.781 1.00 0.00 H new ATOM 0 HA3 GLY A 271 18.421 14.124 -25.316 1.00 0.00 H new ATOM 79 N GLY A 272 19.239 16.513 -23.199 1.00 0.00 N ATOM 80 CA GLY A 272 19.953 17.778 -23.070 1.00 0.00 C ATOM 81 C GLY A 272 19.064 18.945 -23.485 1.00 0.00 C ATOM 82 O GLY A 272 19.482 20.102 -23.442 1.00 0.00 O ATOM 0 H GLY A 272 18.641 16.281 -22.406 1.00 0.00 H new ATOM 0 HA2 GLY A 272 20.280 17.913 -22.039 1.00 0.00 H new ATOM 0 HA3 GLY A 272 20.850 17.760 -23.689 1.00 0.00 H new ATOM 86 N GLY A 273 17.833 18.632 -23.885 1.00 0.00 N ATOM 87 CA GLY A 273 16.884 19.661 -24.305 1.00 0.00 C ATOM 88 C GLY A 273 15.707 19.741 -23.338 1.00 0.00 C ATOM 89 O GLY A 273 15.339 20.824 -22.882 1.00 0.00 O ATOM 0 H GLY A 273 17.471 17.679 -23.927 1.00 0.00 H new ATOM 0 HA2 GLY A 273 17.386 20.627 -24.354 1.00 0.00 H new ATOM 0 HA3 GLY A 273 16.521 19.439 -25.309 1.00 0.00 H new ATOM 93 N LYS A 274 15.120 18.588 -23.031 1.00 0.00 N ATOM 94 CA LYS A 274 13.984 18.536 -22.115 1.00 0.00 C ATOM 95 C LYS A 274 14.453 18.182 -20.706 1.00 0.00 C ATOM 96 O LYS A 274 15.456 17.491 -20.531 1.00 0.00 O ATOM 97 CB LYS A 274 12.971 17.496 -22.598 1.00 0.00 C ATOM 98 CG LYS A 274 12.432 17.909 -23.970 1.00 0.00 C ATOM 99 CD LYS A 274 11.340 16.930 -24.409 1.00 0.00 C ATOM 100 CE LYS A 274 10.907 17.257 -25.839 1.00 0.00 C ATOM 101 NZ LYS A 274 10.296 16.049 -26.462 1.00 0.00 N ATOM 0 H LYS A 274 15.409 17.682 -23.400 1.00 0.00 H new ATOM 0 HA LYS A 274 13.510 19.517 -22.093 1.00 0.00 H new ATOM 0 HB2 LYS A 274 13.442 16.515 -22.661 1.00 0.00 H new ATOM 0 HB3 LYS A 274 12.152 17.411 -21.884 1.00 0.00 H new ATOM 0 HG2 LYS A 274 12.030 18.921 -23.924 1.00 0.00 H new ATOM 0 HG3 LYS A 274 13.240 17.920 -24.701 1.00 0.00 H new ATOM 0 HD2 LYS A 274 11.711 15.907 -24.355 1.00 0.00 H new ATOM 0 HD3 LYS A 274 10.486 16.995 -23.735 1.00 0.00 H new ATOM 0 HE2 LYS A 274 10.191 18.079 -25.834 1.00 0.00 H new ATOM 0 HE3 LYS A 274 11.766 17.586 -26.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 10.002 16.271 -27.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 10.993 15.277 -26.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 9.467 15.754 -25.908 1.00 0.00 H new ATOM 115 N VAL A 275 13.727 18.670 -19.703 1.00 0.00 N ATOM 116 CA VAL A 275 14.080 18.404 -18.310 1.00 0.00 C ATOM 117 C VAL A 275 12.848 17.994 -17.505 1.00 0.00 C ATOM 118 O VAL A 275 12.925 17.805 -16.292 1.00 0.00 O ATOM 119 CB VAL A 275 14.706 19.655 -17.687 1.00 0.00 C ATOM 120 CG1 VAL A 275 13.646 20.751 -17.568 1.00 0.00 C ATOM 121 CG2 VAL A 275 15.251 19.320 -16.296 1.00 0.00 C ATOM 0 H VAL A 275 12.896 19.248 -19.827 1.00 0.00 H new ATOM 0 HA VAL A 275 14.798 17.584 -18.288 1.00 0.00 H new ATOM 0 HB VAL A 275 15.521 20.004 -18.321 1.00 0.00 H new ATOM 0 HG11 VAL A 275 14.092 21.641 -17.125 1.00 0.00 H new ATOM 0 HG12 VAL A 275 13.260 20.993 -18.558 1.00 0.00 H new ATOM 0 HG13 VAL A 275 12.830 20.401 -16.936 1.00 0.00 H new ATOM 0 HG21 VAL A 275 15.696 20.212 -15.855 1.00 0.00 H new ATOM 0 HG22 VAL A 275 14.437 18.969 -15.661 1.00 0.00 H new ATOM 0 HG23 VAL A 275 16.008 18.540 -16.380 1.00 0.00 H new ATOM 131 N GLN A 276 11.712 17.874 -18.184 1.00 0.00 N ATOM 132 CA GLN A 276 10.469 17.504 -17.512 1.00 0.00 C ATOM 133 C GLN A 276 10.608 16.167 -16.790 1.00 0.00 C ATOM 134 O GLN A 276 10.102 15.999 -15.681 1.00 0.00 O ATOM 135 CB GLN A 276 9.335 17.419 -18.534 1.00 0.00 C ATOM 136 CG GLN A 276 9.141 18.787 -19.193 1.00 0.00 C ATOM 137 CD GLN A 276 8.749 19.821 -18.144 1.00 0.00 C ATOM 138 OE1 GLN A 276 7.751 19.649 -17.443 1.00 0.00 O ATOM 139 NE2 GLN A 276 9.482 20.889 -17.988 1.00 0.00 N ATOM 0 H GLN A 276 11.625 18.025 -19.189 1.00 0.00 H new ATOM 0 HA GLN A 276 10.243 18.271 -16.771 1.00 0.00 H new ATOM 0 HB2 GLN A 276 9.567 16.669 -19.290 1.00 0.00 H new ATOM 0 HB3 GLN A 276 8.413 17.104 -18.045 1.00 0.00 H new ATOM 0 HG2 GLN A 276 10.061 19.093 -19.691 1.00 0.00 H new ATOM 0 HG3 GLN A 276 8.369 18.724 -19.960 1.00 0.00 H new ATOM 0 HE21 GLN A 276 10.308 21.030 -18.569 1.00 0.00 H new ATOM 0 HE22 GLN A 276 9.229 21.583 -17.285 1.00 0.00 H new ATOM 148 N ILE A 277 11.300 15.217 -17.415 1.00 0.00 N ATOM 149 CA ILE A 277 11.498 13.902 -16.803 1.00 0.00 C ATOM 150 C ILE A 277 12.964 13.723 -16.420 1.00 0.00 C ATOM 151 O ILE A 277 13.735 13.101 -17.149 1.00 0.00 O ATOM 152 CB ILE A 277 11.079 12.805 -17.784 1.00 0.00 C ATOM 153 CG1 ILE A 277 9.656 13.081 -18.275 1.00 0.00 C ATOM 154 CG2 ILE A 277 11.109 11.449 -17.076 1.00 0.00 C ATOM 155 CD1 ILE A 277 9.285 12.070 -19.362 1.00 0.00 C ATOM 0 H ILE A 277 11.729 15.329 -18.334 1.00 0.00 H new ATOM 0 HA ILE A 277 10.885 13.831 -15.905 1.00 0.00 H new ATOM 0 HB ILE A 277 11.766 12.793 -18.630 1.00 0.00 H new ATOM 0 HG12 ILE A 277 8.954 13.012 -17.444 1.00 0.00 H new ATOM 0 HG13 ILE A 277 9.586 14.095 -18.668 1.00 0.00 H new ATOM 0 HG21 ILE A 277 10.811 10.667 -17.774 1.00 0.00 H new ATOM 0 HG22 ILE A 277 12.118 11.248 -16.717 1.00 0.00 H new ATOM 0 HG23 ILE A 277 10.420 11.464 -16.232 1.00 0.00 H new ATOM 0 HD11 ILE A 277 8.271 12.267 -19.711 1.00 0.00 H new ATOM 0 HD12 ILE A 277 9.981 12.161 -20.196 1.00 0.00 H new ATOM 0 HD13 ILE A 277 9.338 11.061 -18.954 1.00 0.00 H new ATOM 167 N ILE A 278 13.339 14.283 -15.276 1.00 0.00 N ATOM 168 CA ILE A 278 14.716 14.197 -14.802 1.00 0.00 C ATOM 169 C ILE A 278 15.122 12.755 -14.499 1.00 0.00 C ATOM 170 O ILE A 278 16.256 12.356 -14.762 1.00 0.00 O ATOM 171 CB ILE A 278 14.877 15.052 -13.544 1.00 0.00 C ATOM 172 CG1 ILE A 278 14.508 16.502 -13.869 1.00 0.00 C ATOM 173 CG2 ILE A 278 16.329 14.990 -13.065 1.00 0.00 C ATOM 174 CD1 ILE A 278 14.503 17.331 -12.584 1.00 0.00 C ATOM 0 H ILE A 278 12.711 14.800 -14.661 1.00 0.00 H new ATOM 0 HA ILE A 278 15.368 14.567 -15.593 1.00 0.00 H new ATOM 0 HB ILE A 278 14.222 14.674 -12.759 1.00 0.00 H new ATOM 0 HG12 ILE A 278 15.222 16.919 -14.580 1.00 0.00 H new ATOM 0 HG13 ILE A 278 13.527 16.541 -14.342 1.00 0.00 H new ATOM 0 HG21 ILE A 278 16.443 15.600 -12.169 1.00 0.00 H new ATOM 0 HG22 ILE A 278 16.593 13.957 -12.838 1.00 0.00 H new ATOM 0 HG23 ILE A 278 16.987 15.369 -13.847 1.00 0.00 H new ATOM 0 HD11 ILE A 278 14.240 18.363 -12.818 1.00 0.00 H new ATOM 0 HD12 ILE A 278 13.772 16.919 -11.888 1.00 0.00 H new ATOM 0 HD13 ILE A 278 15.493 17.303 -12.129 1.00 0.00 H new ATOM 186 N ASN A 279 14.199 11.980 -13.937 1.00 0.00 N ATOM 187 CA ASN A 279 14.492 10.590 -13.596 1.00 0.00 C ATOM 188 C ASN A 279 14.339 9.676 -14.799 1.00 0.00 C ATOM 189 O ASN A 279 14.521 8.464 -14.692 1.00 0.00 O ATOM 190 CB ASN A 279 13.569 10.115 -12.473 1.00 0.00 C ATOM 191 CG ASN A 279 12.121 10.101 -12.953 1.00 0.00 C ATOM 192 OD1 ASN A 279 11.256 10.725 -12.337 1.00 0.00 O ATOM 193 ND2 ASN A 279 11.802 9.421 -14.019 1.00 0.00 N ATOM 0 H ASN A 279 13.253 12.285 -13.710 1.00 0.00 H new ATOM 0 HA ASN A 279 15.529 10.545 -13.262 1.00 0.00 H new ATOM 0 HB2 ASN A 279 13.862 9.116 -12.149 1.00 0.00 H new ATOM 0 HB3 ASN A 279 13.667 10.772 -11.609 1.00 0.00 H new ATOM 0 HD21 ASN A 279 10.835 9.405 -14.344 1.00 0.00 H new ATOM 0 HD22 ASN A 279 12.519 8.905 -14.528 1.00 0.00 H new ATOM 200 N LYS A 280 14.009 10.253 -15.943 1.00 0.00 N ATOM 201 CA LYS A 280 13.845 9.459 -17.148 1.00 0.00 C ATOM 202 C LYS A 280 13.139 8.149 -16.820 1.00 0.00 C ATOM 203 O LYS A 280 12.334 8.080 -15.891 1.00 0.00 O ATOM 204 CB LYS A 280 15.211 9.160 -17.762 1.00 0.00 C ATOM 205 CG LYS A 280 15.961 10.471 -17.990 1.00 0.00 C ATOM 206 CD LYS A 280 17.202 10.205 -18.843 1.00 0.00 C ATOM 207 CE LYS A 280 18.121 9.229 -18.108 1.00 0.00 C ATOM 208 NZ LYS A 280 19.506 9.353 -18.642 1.00 0.00 N ATOM 0 H LYS A 280 13.851 11.254 -16.062 1.00 0.00 H new ATOM 0 HA LYS A 280 13.242 10.023 -17.860 1.00 0.00 H new ATOM 0 HB2 LYS A 280 15.785 8.510 -17.102 1.00 0.00 H new ATOM 0 HB3 LYS A 280 15.090 8.628 -18.706 1.00 0.00 H new ATOM 0 HG2 LYS A 280 15.312 11.192 -18.487 1.00 0.00 H new ATOM 0 HG3 LYS A 280 16.250 10.908 -17.034 1.00 0.00 H new ATOM 0 HD2 LYS A 280 16.912 9.792 -19.809 1.00 0.00 H new ATOM 0 HD3 LYS A 280 17.728 11.139 -19.041 1.00 0.00 H new ATOM 0 HE2 LYS A 280 18.112 9.440 -17.039 1.00 0.00 H new ATOM 0 HE3 LYS A 280 17.761 8.208 -18.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 20.131 8.689 -18.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 19.507 9.132 -19.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 19.848 10.325 -18.499 1.00 0.00 H new ATOM 222 N LYS A 281 13.462 7.114 -17.579 1.00 0.00 N ATOM 223 CA LYS A 281 12.874 5.789 -17.376 1.00 0.00 C ATOM 224 C LYS A 281 11.340 5.824 -17.428 1.00 0.00 C ATOM 225 O LYS A 281 10.703 4.789 -17.620 1.00 0.00 O ATOM 226 CB LYS A 281 13.318 5.228 -16.020 1.00 0.00 C ATOM 227 CG LYS A 281 14.721 4.618 -16.134 1.00 0.00 C ATOM 228 CD LYS A 281 15.756 5.734 -16.275 1.00 0.00 C ATOM 229 CE LYS A 281 17.163 5.132 -16.233 1.00 0.00 C ATOM 230 NZ LYS A 281 18.164 6.186 -16.559 1.00 0.00 N ATOM 0 H LYS A 281 14.132 7.162 -18.347 1.00 0.00 H new ATOM 0 HA LYS A 281 13.224 5.149 -18.186 1.00 0.00 H new ATOM 0 HB2 LYS A 281 13.318 6.021 -15.272 1.00 0.00 H new ATOM 0 HB3 LYS A 281 12.610 4.471 -15.682 1.00 0.00 H new ATOM 0 HG2 LYS A 281 14.939 4.015 -15.252 1.00 0.00 H new ATOM 0 HG3 LYS A 281 14.770 3.952 -16.995 1.00 0.00 H new ATOM 0 HD2 LYS A 281 15.605 6.268 -17.213 1.00 0.00 H new ATOM 0 HD3 LYS A 281 15.635 6.460 -15.471 1.00 0.00 H new ATOM 0 HE2 LYS A 281 17.364 4.718 -15.245 1.00 0.00 H new ATOM 0 HE3 LYS A 281 17.240 4.310 -16.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 19.063 5.970 -16.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 18.315 6.215 -17.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 17.813 7.110 -16.235 1.00 0.00 H new ATOM 244 N LEU A 282 10.751 7.003 -17.248 1.00 0.00 N ATOM 245 CA LEU A 282 9.298 7.127 -17.270 1.00 0.00 C ATOM 246 C LEU A 282 8.744 6.787 -18.649 1.00 0.00 C ATOM 247 O LEU A 282 7.700 6.145 -18.768 1.00 0.00 O ATOM 248 CB LEU A 282 8.895 8.555 -16.891 1.00 0.00 C ATOM 249 CG LEU A 282 7.370 8.652 -16.779 1.00 0.00 C ATOM 250 CD1 LEU A 282 6.887 7.849 -15.568 1.00 0.00 C ATOM 251 CD2 LEU A 282 6.968 10.120 -16.611 1.00 0.00 C ATOM 0 H LEU A 282 11.252 7.877 -17.087 1.00 0.00 H new ATOM 0 HA LEU A 282 8.882 6.425 -16.548 1.00 0.00 H new ATOM 0 HB2 LEU A 282 9.357 8.834 -15.944 1.00 0.00 H new ATOM 0 HB3 LEU A 282 9.259 9.257 -17.642 1.00 0.00 H new ATOM 0 HG LEU A 282 6.914 8.247 -17.683 1.00 0.00 H new ATOM 0 HD11 LEU A 282 5.802 7.921 -15.493 1.00 0.00 H new ATOM 0 HD12 LEU A 282 7.174 6.804 -15.686 1.00 0.00 H new ATOM 0 HD13 LEU A 282 7.341 8.249 -14.661 1.00 0.00 H new ATOM 0 HD21 LEU A 282 5.883 10.193 -16.531 1.00 0.00 H new ATOM 0 HD22 LEU A 282 7.427 10.522 -15.707 1.00 0.00 H new ATOM 0 HD23 LEU A 282 7.307 10.691 -17.475 1.00 0.00 H new ATOM 263 N ASP A 283 9.447 7.224 -19.691 1.00 0.00 N ATOM 264 CA ASP A 283 9.014 6.962 -21.062 1.00 0.00 C ATOM 265 C ASP A 283 9.968 5.999 -21.760 1.00 0.00 C ATOM 266 O ASP A 283 11.107 5.816 -21.332 1.00 0.00 O ATOM 267 CB ASP A 283 8.951 8.274 -21.846 1.00 0.00 C ATOM 268 CG ASP A 283 10.346 8.877 -21.973 1.00 0.00 C ATOM 269 OD1 ASP A 283 11.302 8.175 -21.684 1.00 0.00 O ATOM 270 OD2 ASP A 283 10.437 10.031 -22.356 1.00 0.00 O ATOM 0 H ASP A 283 10.313 7.757 -19.614 1.00 0.00 H new ATOM 0 HA ASP A 283 8.024 6.507 -21.026 1.00 0.00 H new ATOM 0 HB2 ASP A 283 8.532 8.095 -22.836 1.00 0.00 H new ATOM 0 HB3 ASP A 283 8.287 8.976 -21.342 1.00 0.00 H new ATOM 275 N LEU A 284 9.491 5.392 -22.843 1.00 0.00 N ATOM 276 CA LEU A 284 10.302 4.452 -23.611 1.00 0.00 C ATOM 277 C LEU A 284 10.744 5.092 -24.925 1.00 0.00 C ATOM 278 O LEU A 284 10.024 5.911 -25.498 1.00 0.00 O ATOM 279 CB LEU A 284 9.497 3.186 -23.901 1.00 0.00 C ATOM 280 CG LEU A 284 8.918 2.636 -22.595 1.00 0.00 C ATOM 281 CD1 LEU A 284 8.091 1.382 -22.891 1.00 0.00 C ATOM 282 CD2 LEU A 284 10.062 2.279 -21.642 1.00 0.00 C ATOM 0 H LEU A 284 8.549 5.534 -23.208 1.00 0.00 H new ATOM 0 HA LEU A 284 11.185 4.191 -23.027 1.00 0.00 H new ATOM 0 HB2 LEU A 284 8.693 3.407 -24.603 1.00 0.00 H new ATOM 0 HB3 LEU A 284 10.134 2.437 -24.372 1.00 0.00 H new ATOM 0 HG LEU A 284 8.281 3.390 -22.133 1.00 0.00 H new ATOM 0 HD11 LEU A 284 7.679 0.990 -21.961 1.00 0.00 H new ATOM 0 HD12 LEU A 284 7.277 1.635 -23.571 1.00 0.00 H new ATOM 0 HD13 LEU A 284 8.728 0.627 -23.352 1.00 0.00 H new ATOM 0 HD21 LEU A 284 9.651 1.887 -20.711 1.00 0.00 H new ATOM 0 HD22 LEU A 284 10.698 1.524 -22.104 1.00 0.00 H new ATOM 0 HD23 LEU A 284 10.652 3.171 -21.431 1.00 0.00 H new ATOM 294 N SER A 285 11.930 4.722 -25.397 1.00 0.00 N ATOM 295 CA SER A 285 12.451 5.276 -26.643 1.00 0.00 C ATOM 296 C SER A 285 11.558 4.899 -27.822 1.00 0.00 C ATOM 297 O SER A 285 11.800 3.901 -28.500 1.00 0.00 O ATOM 298 CB SER A 285 13.868 4.756 -26.887 1.00 0.00 C ATOM 299 OG SER A 285 14.797 5.588 -26.205 1.00 0.00 O ATOM 0 H SER A 285 12.544 4.047 -24.941 1.00 0.00 H new ATOM 0 HA SER A 285 12.468 6.362 -26.555 1.00 0.00 H new ATOM 0 HB2 SER A 285 13.956 3.728 -26.535 1.00 0.00 H new ATOM 0 HB3 SER A 285 14.086 4.747 -27.955 1.00 0.00 H new ATOM 0 HG SER A 285 15.707 5.257 -26.358 1.00 0.00 H new ATOM 305 N ASN A 286 10.530 5.708 -28.061 1.00 0.00 N ATOM 306 CA ASN A 286 9.599 5.466 -29.162 1.00 0.00 C ATOM 307 C ASN A 286 8.847 4.148 -28.977 1.00 0.00 C ATOM 308 O ASN A 286 7.706 4.011 -29.419 1.00 0.00 O ATOM 309 CB ASN A 286 10.349 5.444 -30.494 1.00 0.00 C ATOM 310 CG ASN A 286 9.350 5.384 -31.644 1.00 0.00 C ATOM 311 OD1 ASN A 286 9.314 4.402 -32.387 1.00 0.00 O ATOM 312 ND2 ASN A 286 8.524 6.376 -31.829 1.00 0.00 N ATOM 0 H ASN A 286 10.319 6.538 -27.507 1.00 0.00 H new ATOM 0 HA ASN A 286 8.873 6.279 -29.165 1.00 0.00 H new ATOM 0 HB2 ASN A 286 10.972 6.334 -30.587 1.00 0.00 H new ATOM 0 HB3 ASN A 286 11.016 4.583 -30.533 1.00 0.00 H new ATOM 0 HD21 ASN A 286 7.846 6.340 -32.590 1.00 0.00 H new ATOM 0 HD22 ASN A 286 8.556 7.188 -31.212 1.00 0.00 H new ATOM 319 N VAL A 287 9.483 3.184 -28.320 1.00 0.00 N ATOM 320 CA VAL A 287 8.853 1.893 -28.083 1.00 0.00 C ATOM 321 C VAL A 287 7.545 2.082 -27.326 1.00 0.00 C ATOM 322 O VAL A 287 6.630 1.265 -27.427 1.00 0.00 O ATOM 323 CB VAL A 287 9.795 0.995 -27.278 1.00 0.00 C ATOM 324 CG1 VAL A 287 9.040 -0.246 -26.803 1.00 0.00 C ATOM 325 CG2 VAL A 287 10.968 0.570 -28.164 1.00 0.00 C ATOM 0 H VAL A 287 10.427 3.272 -27.945 1.00 0.00 H new ATOM 0 HA VAL A 287 8.642 1.420 -29.042 1.00 0.00 H new ATOM 0 HB VAL A 287 10.169 1.543 -26.413 1.00 0.00 H new ATOM 0 HG11 VAL A 287 9.713 -0.884 -26.230 1.00 0.00 H new ATOM 0 HG12 VAL A 287 8.203 0.056 -26.174 1.00 0.00 H new ATOM 0 HG13 VAL A 287 8.665 -0.796 -27.666 1.00 0.00 H new ATOM 0 HG21 VAL A 287 11.641 -0.070 -27.594 1.00 0.00 H new ATOM 0 HG22 VAL A 287 10.592 0.022 -29.028 1.00 0.00 H new ATOM 0 HG23 VAL A 287 11.508 1.455 -28.502 1.00 0.00 H new