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= -2.45! K(o=-2.5!,f=-0.88) USER MOD Single : A 269 GLN : amide:sc= -3.26! C(o=-3.3!,f=-6.4!) USER MOD Single : A 274 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0125) USER MOD Single : A 276 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 279 ASN : amide:sc= -1.91! K(o=-1.9!,f=-0.048) 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 285 SER OG : rot -67:sc= 0.139! USER MOD Single : A 286 ASN : amide:sc= -0.414 X(o=-0.41,f=-0.0065) USER MOD ----------------------------------------------------------------- ATOM 23 N HIS A 268 27.309 -4.141 -26.773 1.00 0.00 N ATOM 24 CA HIS A 268 27.580 -2.766 -26.370 1.00 0.00 C ATOM 25 C HIS A 268 26.921 -2.457 -25.031 1.00 0.00 C ATOM 26 O HIS A 268 27.208 -1.439 -24.403 1.00 0.00 O ATOM 27 CB HIS A 268 27.066 -1.791 -27.429 1.00 0.00 C ATOM 28 CG HIS A 268 27.590 -0.411 -27.131 1.00 0.00 C ATOM 29 ND1 HIS A 268 27.193 0.701 -27.858 1.00 0.00 N ATOM 30 CD2 HIS A 268 28.482 0.055 -26.191 1.00 0.00 C ATOM 31 CE1 HIS A 268 27.836 1.768 -27.352 1.00 0.00 C ATOM 32 NE2 HIS A 268 28.633 1.432 -26.335 1.00 0.00 N ATOM 0 HA HIS A 268 28.659 -2.650 -26.268 1.00 0.00 H new ATOM 0 HB2 HIS A 268 27.389 -2.109 -28.420 1.00 0.00 H new ATOM 0 HB3 HIS A 268 25.976 -1.785 -27.436 1.00 0.00 H new ATOM 0 HD2 HIS A 268 28.987 -0.554 -25.455 1.00 0.00 H new ATOM 0 HE1 HIS A 268 27.722 2.776 -27.724 1.00 0.00 H new ATOM 0 HE2 HIS A 268 29.226 2.051 -25.782 1.00 0.00 H new ATOM 41 N GLN A 269 26.029 -3.337 -24.598 1.00 0.00 N ATOM 42 CA GLN A 269 25.341 -3.126 -23.335 1.00 0.00 C ATOM 43 C GLN A 269 26.341 -2.917 -22.196 1.00 0.00 C ATOM 44 O GLN A 269 26.079 -2.138 -21.281 1.00 0.00 O ATOM 45 CB GLN A 269 24.403 -4.297 -23.027 1.00 0.00 C ATOM 46 CG GLN A 269 23.216 -4.250 -23.990 1.00 0.00 C ATOM 47 CD GLN A 269 23.708 -4.364 -25.429 1.00 0.00 C ATOM 48 OE1 GLN A 269 24.446 -5.292 -25.762 1.00 0.00 O ATOM 49 NE2 GLN A 269 23.342 -3.472 -26.308 1.00 0.00 N ATOM 0 H GLN A 269 25.769 -4.190 -25.094 1.00 0.00 H new ATOM 0 HA GLN A 269 24.739 -2.222 -23.425 1.00 0.00 H new ATOM 0 HB2 GLN A 269 24.935 -5.243 -23.131 1.00 0.00 H new ATOM 0 HB3 GLN A 269 24.054 -4.239 -21.996 1.00 0.00 H new ATOM 0 HG2 GLN A 269 22.524 -5.063 -23.768 1.00 0.00 H new ATOM 0 HG3 GLN A 269 22.666 -3.318 -23.858 1.00 0.00 H new ATOM 0 HE21 GLN A 269 22.731 -2.704 -26.031 1.00 0.00 H new ATOM 0 HE22 GLN A 269 23.667 -3.543 -27.272 1.00 0.00 H new ATOM 58 N PRO A 270 27.480 -3.574 -22.229 1.00 0.00 N ATOM 59 CA PRO A 270 28.489 -3.381 -21.141 1.00 0.00 C ATOM 60 C PRO A 270 29.011 -1.946 -21.092 1.00 0.00 C ATOM 61 O PRO A 270 29.724 -1.565 -20.164 1.00 0.00 O ATOM 62 CB PRO A 270 29.611 -4.373 -21.471 1.00 0.00 C ATOM 63 CG PRO A 270 28.972 -5.392 -22.347 1.00 0.00 C ATOM 64 CD PRO A 270 27.934 -4.630 -23.160 1.00 0.00 C ATOM 0 HA PRO A 270 28.057 -3.558 -20.156 1.00 0.00 H new ATOM 0 HB2 PRO A 270 30.439 -3.879 -21.978 1.00 0.00 H new ATOM 0 HB3 PRO A 270 30.016 -4.827 -20.567 1.00 0.00 H new ATOM 0 HG2 PRO A 270 29.707 -5.869 -22.996 1.00 0.00 H new ATOM 0 HG3 PRO A 270 28.507 -6.182 -21.757 1.00 0.00 H new ATOM 0 HD2 PRO A 270 28.365 -4.208 -24.068 1.00 0.00 H new ATOM 0 HD3 PRO A 270 27.111 -5.275 -23.468 1.00 0.00 H new ATOM 72 N GLY A 271 28.649 -1.156 -22.100 1.00 0.00 N ATOM 73 CA GLY A 271 29.084 0.237 -22.166 1.00 0.00 C ATOM 74 C GLY A 271 30.265 0.394 -23.116 1.00 0.00 C ATOM 75 O GLY A 271 30.830 1.480 -23.250 1.00 0.00 O ATOM 0 H GLY A 271 28.060 -1.454 -22.877 1.00 0.00 H new ATOM 0 HA2 GLY A 271 28.258 0.865 -22.500 1.00 0.00 H new ATOM 0 HA3 GLY A 271 29.364 0.582 -21.171 1.00 0.00 H new ATOM 79 N GLY A 272 30.631 -0.698 -23.777 1.00 0.00 N ATOM 80 CA GLY A 272 31.744 -0.678 -24.718 1.00 0.00 C ATOM 81 C GLY A 272 32.172 -2.098 -25.067 1.00 0.00 C ATOM 82 O GLY A 272 32.543 -2.875 -24.191 1.00 0.00 O ATOM 0 H GLY A 272 30.175 -1.605 -23.679 1.00 0.00 H new ATOM 0 HA2 GLY A 272 31.453 -0.146 -25.624 1.00 0.00 H new ATOM 0 HA3 GLY A 272 32.584 -0.134 -24.286 1.00 0.00 H new ATOM 86 N GLY A 273 32.114 -2.436 -26.350 1.00 0.00 N ATOM 87 CA GLY A 273 32.492 -3.772 -26.788 1.00 0.00 C ATOM 88 C GLY A 273 33.872 -4.152 -26.261 1.00 0.00 C ATOM 89 O GLY A 273 34.116 -5.308 -25.916 1.00 0.00 O ATOM 0 H GLY A 273 31.812 -1.810 -27.097 1.00 0.00 H new ATOM 0 HA2 GLY A 273 31.754 -4.495 -26.439 1.00 0.00 H new ATOM 0 HA3 GLY A 273 32.491 -3.815 -27.877 1.00 0.00 H new ATOM 93 N LYS A 274 34.770 -3.175 -26.201 1.00 0.00 N ATOM 94 CA LYS A 274 36.120 -3.427 -25.711 1.00 0.00 C ATOM 95 C LYS A 274 36.093 -3.905 -24.263 1.00 0.00 C ATOM 96 O LYS A 274 36.910 -4.733 -23.859 1.00 0.00 O ATOM 97 CB LYS A 274 36.957 -2.154 -25.817 1.00 0.00 C ATOM 98 CG LYS A 274 37.112 -1.774 -27.290 1.00 0.00 C ATOM 99 CD LYS A 274 38.045 -0.567 -27.413 1.00 0.00 C ATOM 100 CE LYS A 274 38.103 -0.115 -28.873 1.00 0.00 C ATOM 101 NZ LYS A 274 38.964 -1.051 -29.650 1.00 0.00 N ATOM 0 H LYS A 274 34.591 -2.211 -26.482 1.00 0.00 H new ATOM 0 HA LYS A 274 36.566 -4.209 -26.325 1.00 0.00 H new ATOM 0 HB2 LYS A 274 36.478 -1.343 -25.269 1.00 0.00 H new ATOM 0 HB3 LYS A 274 37.936 -2.310 -25.364 1.00 0.00 H new ATOM 0 HG2 LYS A 274 37.514 -2.616 -27.853 1.00 0.00 H new ATOM 0 HG3 LYS A 274 36.138 -1.539 -27.720 1.00 0.00 H new ATOM 0 HD2 LYS A 274 37.688 0.248 -26.783 1.00 0.00 H new ATOM 0 HD3 LYS A 274 39.043 -0.828 -27.062 1.00 0.00 H new ATOM 0 HE2 LYS A 274 37.099 -0.091 -29.297 1.00 0.00 H new ATOM 0 HE3 LYS A 274 38.500 0.898 -28.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 39.072 -0.697 -30.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 39.899 -1.118 -29.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 38.522 -1.992 -29.671 1.00 0.00 H new ATOM 115 N VAL A 275 35.144 -3.388 -23.486 1.00 0.00 N ATOM 116 CA VAL A 275 35.016 -3.779 -22.085 1.00 0.00 C ATOM 117 C VAL A 275 33.739 -4.585 -21.891 1.00 0.00 C ATOM 118 O VAL A 275 32.664 -4.168 -22.315 1.00 0.00 O ATOM 119 CB VAL A 275 34.976 -2.534 -21.196 1.00 0.00 C ATOM 120 CG1 VAL A 275 34.981 -2.952 -19.725 1.00 0.00 C ATOM 121 CG2 VAL A 275 36.203 -1.665 -21.483 1.00 0.00 C ATOM 0 H VAL A 275 34.457 -2.702 -23.800 1.00 0.00 H new ATOM 0 HA VAL A 275 35.875 -4.389 -21.807 1.00 0.00 H new ATOM 0 HB VAL A 275 34.069 -1.967 -21.407 1.00 0.00 H new ATOM 0 HG11 VAL A 275 34.952 -2.064 -19.094 1.00 0.00 H new ATOM 0 HG12 VAL A 275 34.108 -3.571 -19.520 1.00 0.00 H new ATOM 0 HG13 VAL A 275 35.887 -3.520 -19.511 1.00 0.00 H new ATOM 0 HG21 VAL A 275 36.176 -0.778 -20.851 1.00 0.00 H new ATOM 0 HG22 VAL A 275 37.109 -2.234 -21.272 1.00 0.00 H new ATOM 0 HG23 VAL A 275 36.199 -1.364 -22.531 1.00 0.00 H new ATOM 131 N GLN A 276 33.857 -5.745 -21.254 1.00 0.00 N ATOM 132 CA GLN A 276 32.691 -6.595 -21.028 1.00 0.00 C ATOM 133 C GLN A 276 32.435 -6.787 -19.539 1.00 0.00 C ATOM 134 O GLN A 276 33.348 -7.100 -18.775 1.00 0.00 O ATOM 135 CB GLN A 276 32.918 -7.949 -21.698 1.00 0.00 C ATOM 136 CG GLN A 276 33.221 -7.720 -23.179 1.00 0.00 C ATOM 137 CD GLN A 276 33.519 -9.044 -23.873 1.00 0.00 C ATOM 138 OE1 GLN A 276 33.360 -10.109 -23.278 1.00 0.00 O ATOM 139 NE2 GLN A 276 33.956 -9.036 -25.103 1.00 0.00 N ATOM 0 H GLN A 276 34.734 -6.116 -20.889 1.00 0.00 H new ATOM 0 HA GLN A 276 31.815 -6.111 -21.460 1.00 0.00 H new ATOM 0 HB2 GLN A 276 33.746 -8.473 -21.220 1.00 0.00 H new ATOM 0 HB3 GLN A 276 32.035 -8.578 -21.586 1.00 0.00 H new ATOM 0 HG2 GLN A 276 32.372 -7.234 -23.659 1.00 0.00 H new ATOM 0 HG3 GLN A 276 34.073 -7.048 -23.282 1.00 0.00 H new ATOM 0 HE21 GLN A 276 34.086 -8.150 -25.592 1.00 0.00 H new ATOM 0 HE22 GLN A 276 34.167 -9.915 -25.575 1.00 0.00 H new ATOM 148 N ILE A 277 31.182 -6.606 -19.139 1.00 0.00 N ATOM 149 CA ILE A 277 30.795 -6.771 -17.744 1.00 0.00 C ATOM 150 C ILE A 277 30.158 -8.140 -17.542 1.00 0.00 C ATOM 151 O ILE A 277 29.613 -8.430 -16.479 1.00 0.00 O ATOM 152 CB ILE A 277 29.808 -5.673 -17.339 1.00 0.00 C ATOM 153 CG1 ILE A 277 30.465 -4.304 -17.540 1.00 0.00 C ATOM 154 CG2 ILE A 277 29.419 -5.846 -15.866 1.00 0.00 C ATOM 155 CD1 ILE A 277 29.427 -3.200 -17.325 1.00 0.00 C ATOM 0 H ILE A 277 30.417 -6.345 -19.761 1.00 0.00 H new ATOM 0 HA ILE A 277 31.685 -6.695 -17.119 1.00 0.00 H new ATOM 0 HB ILE A 277 28.912 -5.743 -17.956 1.00 0.00 H new ATOM 0 HG12 ILE A 277 31.292 -4.180 -16.841 1.00 0.00 H new ATOM 0 HG13 ILE A 277 30.883 -4.234 -18.544 1.00 0.00 H new ATOM 0 HG21 ILE A 277 28.716 -5.063 -15.581 1.00 0.00 H new ATOM 0 HG22 ILE A 277 28.953 -6.821 -15.725 1.00 0.00 H new ATOM 0 HG23 ILE A 277 30.311 -5.777 -15.244 1.00 0.00 H new ATOM 0 HD11 ILE A 277 29.896 -2.227 -17.468 1.00 0.00 H new ATOM 0 HD12 ILE A 277 28.614 -3.320 -18.041 1.00 0.00 H new ATOM 0 HD13 ILE A 277 29.030 -3.266 -16.312 1.00 0.00 H new ATOM 167 N ILE A 278 30.222 -8.965 -18.587 1.00 0.00 N ATOM 168 CA ILE A 278 29.641 -10.305 -18.551 1.00 0.00 C ATOM 169 C ILE A 278 28.118 -10.221 -18.541 1.00 0.00 C ATOM 170 O ILE A 278 27.433 -11.148 -18.969 1.00 0.00 O ATOM 171 CB ILE A 278 30.138 -11.071 -17.322 1.00 0.00 C ATOM 172 CG1 ILE A 278 31.660 -10.940 -17.228 1.00 0.00 C ATOM 173 CG2 ILE A 278 29.766 -12.549 -17.461 1.00 0.00 C ATOM 174 CD1 ILE A 278 32.291 -11.317 -18.570 1.00 0.00 C ATOM 0 H ILE A 278 30.672 -8.727 -19.471 1.00 0.00 H new ATOM 0 HA ILE A 278 29.956 -10.843 -19.445 1.00 0.00 H new ATOM 0 HB ILE A 278 29.677 -10.661 -16.423 1.00 0.00 H new ATOM 0 HG12 ILE A 278 31.931 -9.919 -16.961 1.00 0.00 H new ATOM 0 HG13 ILE A 278 32.043 -11.588 -16.440 1.00 0.00 H new ATOM 0 HG21 ILE A 278 30.119 -13.097 -16.587 1.00 0.00 H new ATOM 0 HG22 ILE A 278 28.683 -12.646 -17.537 1.00 0.00 H new ATOM 0 HG23 ILE A 278 30.231 -12.958 -18.358 1.00 0.00 H new ATOM 0 HD11 ILE A 278 33.375 -11.223 -18.502 1.00 0.00 H new ATOM 0 HD12 ILE A 278 32.031 -12.346 -18.818 1.00 0.00 H new ATOM 0 HD13 ILE A 278 31.918 -10.651 -19.348 1.00 0.00 H new ATOM 186 N ASN A 279 27.593 -9.096 -18.071 1.00 0.00 N ATOM 187 CA ASN A 279 26.150 -8.896 -18.036 1.00 0.00 C ATOM 188 C ASN A 279 25.566 -9.061 -19.435 1.00 0.00 C ATOM 189 O ASN A 279 24.376 -9.335 -19.593 1.00 0.00 O ATOM 190 CB ASN A 279 25.822 -7.504 -17.496 1.00 0.00 C ATOM 191 CG ASN A 279 26.204 -7.418 -16.023 1.00 0.00 C ATOM 192 OD1 ASN A 279 26.045 -6.369 -15.398 1.00 0.00 O ATOM 193 ND2 ASN A 279 26.700 -8.468 -15.426 1.00 0.00 N ATOM 0 H ASN A 279 28.140 -8.314 -17.711 1.00 0.00 H new ATOM 0 HA ASN A 279 25.709 -9.643 -17.376 1.00 0.00 H new ATOM 0 HB2 ASN A 279 26.361 -6.747 -18.066 1.00 0.00 H new ATOM 0 HB3 ASN A 279 24.759 -7.298 -17.618 1.00 0.00 H new ATOM 0 HD21 ASN A 279 26.957 -8.420 -14.440 1.00 0.00 H new ATOM 0 HD22 ASN A 279 26.831 -9.336 -15.946 1.00 0.00 H new ATOM 200 N LYS A 280 26.412 -8.887 -20.446 1.00 0.00 N ATOM 201 CA LYS A 280 25.972 -9.014 -21.831 1.00 0.00 C ATOM 202 C LYS A 280 25.180 -10.297 -22.032 1.00 0.00 C ATOM 203 O LYS A 280 24.153 -10.303 -22.711 1.00 0.00 O ATOM 204 CB LYS A 280 27.191 -9.030 -22.755 1.00 0.00 C ATOM 205 CG LYS A 280 26.740 -9.251 -24.201 1.00 0.00 C ATOM 206 CD LYS A 280 27.954 -9.169 -25.129 1.00 0.00 C ATOM 207 CE LYS A 280 28.907 -10.325 -24.821 1.00 0.00 C ATOM 208 NZ LYS A 280 29.747 -10.613 -26.018 1.00 0.00 N ATOM 0 H LYS A 280 27.400 -8.659 -20.333 1.00 0.00 H new ATOM 0 HA LYS A 280 25.332 -8.164 -22.067 1.00 0.00 H new ATOM 0 HB2 LYS A 280 27.734 -8.088 -22.673 1.00 0.00 H new ATOM 0 HB3 LYS A 280 27.878 -9.821 -22.453 1.00 0.00 H new ATOM 0 HG2 LYS A 280 26.258 -10.224 -24.299 1.00 0.00 H new ATOM 0 HG3 LYS A 280 26.002 -8.500 -24.482 1.00 0.00 H new ATOM 0 HD2 LYS A 280 27.634 -9.214 -26.170 1.00 0.00 H new ATOM 0 HD3 LYS A 280 28.465 -8.216 -24.994 1.00 0.00 H new ATOM 0 HE2 LYS A 280 29.541 -10.070 -23.972 1.00 0.00 H new ATOM 0 HE3 LYS A 280 28.340 -11.212 -24.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 30.394 -11.399 -25.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 29.135 -10.874 -26.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 30.299 -9.767 -26.266 1.00 0.00 H new ATOM 222 N LYS A 281 25.654 -11.380 -21.434 1.00 0.00 N ATOM 223 CA LYS A 281 24.970 -12.656 -21.557 1.00 0.00 C ATOM 224 C LYS A 281 23.548 -12.534 -21.030 1.00 0.00 C ATOM 225 O LYS A 281 22.612 -13.097 -21.599 1.00 0.00 O ATOM 226 CB LYS A 281 25.745 -13.723 -20.779 1.00 0.00 C ATOM 227 CG LYS A 281 27.085 -14.013 -21.491 1.00 0.00 C ATOM 228 CD LYS A 281 28.240 -13.986 -20.482 1.00 0.00 C ATOM 229 CE LYS A 281 28.095 -15.148 -19.497 1.00 0.00 C ATOM 230 NZ LYS A 281 28.769 -16.356 -20.053 1.00 0.00 N ATOM 0 H LYS A 281 26.500 -11.401 -20.865 1.00 0.00 H new ATOM 0 HA LYS A 281 24.923 -12.948 -22.606 1.00 0.00 H new ATOM 0 HB2 LYS A 281 25.929 -13.382 -19.760 1.00 0.00 H new ATOM 0 HB3 LYS A 281 25.154 -14.636 -20.708 1.00 0.00 H new ATOM 0 HG2 LYS A 281 27.042 -14.987 -21.979 1.00 0.00 H new ATOM 0 HG3 LYS A 281 27.258 -13.272 -22.272 1.00 0.00 H new ATOM 0 HD2 LYS A 281 29.194 -14.057 -21.005 1.00 0.00 H new ATOM 0 HD3 LYS A 281 28.242 -13.039 -19.943 1.00 0.00 H new ATOM 0 HE2 LYS A 281 28.536 -14.882 -18.536 1.00 0.00 H new ATOM 0 HE3 LYS A 281 27.040 -15.357 -19.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 28.671 -17.147 -19.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 28.329 -16.613 -20.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 29.778 -16.152 -20.203 1.00 0.00 H new ATOM 244 N LEU A 282 23.389 -11.772 -19.952 1.00 0.00 N ATOM 245 CA LEU A 282 22.070 -11.559 -19.375 1.00 0.00 C ATOM 246 C LEU A 282 21.243 -10.666 -20.297 1.00 0.00 C ATOM 247 O LEU A 282 20.031 -10.837 -20.428 1.00 0.00 O ATOM 248 CB LEU A 282 22.199 -10.894 -18.002 1.00 0.00 C ATOM 249 CG LEU A 282 23.107 -11.736 -17.104 1.00 0.00 C ATOM 250 CD1 LEU A 282 23.152 -11.121 -15.703 1.00 0.00 C ATOM 251 CD2 LEU A 282 22.558 -13.162 -17.013 1.00 0.00 C ATOM 0 H LEU A 282 24.150 -11.297 -19.466 1.00 0.00 H new ATOM 0 HA LEU A 282 21.574 -12.523 -19.261 1.00 0.00 H new ATOM 0 HB2 LEU A 282 22.609 -9.890 -18.111 1.00 0.00 H new ATOM 0 HB3 LEU A 282 21.215 -10.789 -17.544 1.00 0.00 H new ATOM 0 HG LEU A 282 24.112 -11.758 -17.526 1.00 0.00 H new ATOM 0 HD11 LEU A 282 23.799 -11.721 -15.063 1.00 0.00 H new ATOM 0 HD12 LEU A 282 23.543 -10.105 -15.764 1.00 0.00 H new ATOM 0 HD13 LEU A 282 22.146 -11.098 -15.283 1.00 0.00 H new ATOM 0 HD21 LEU A 282 23.206 -13.761 -16.373 1.00 0.00 H new ATOM 0 HD22 LEU A 282 21.553 -13.139 -16.592 1.00 0.00 H new ATOM 0 HD23 LEU A 282 22.524 -13.603 -18.009 1.00 0.00 H new ATOM 263 N ASP A 283 21.921 -9.713 -20.933 1.00 0.00 N ATOM 264 CA ASP A 283 21.260 -8.786 -21.845 1.00 0.00 C ATOM 265 C ASP A 283 21.029 -9.430 -23.207 1.00 0.00 C ATOM 266 O ASP A 283 21.890 -10.144 -23.720 1.00 0.00 O ATOM 267 CB ASP A 283 22.113 -7.527 -22.021 1.00 0.00 C ATOM 268 CG ASP A 283 22.208 -6.772 -20.700 1.00 0.00 C ATOM 269 OD1 ASP A 283 21.429 -7.075 -19.811 1.00 0.00 O ATOM 270 OD2 ASP A 283 23.058 -5.903 -20.596 1.00 0.00 O ATOM 0 H ASP A 283 22.925 -9.564 -20.833 1.00 0.00 H new ATOM 0 HA ASP A 283 20.295 -8.521 -21.414 1.00 0.00 H new ATOM 0 HB2 ASP A 283 23.110 -7.799 -22.366 1.00 0.00 H new ATOM 0 HB3 ASP A 283 21.675 -6.885 -22.785 1.00 0.00 H new ATOM 275 N LEU A 284 19.872 -9.155 -23.797 1.00 0.00 N ATOM 276 CA LEU A 284 19.551 -9.693 -25.108 1.00 0.00 C ATOM 277 C LEU A 284 20.448 -9.052 -26.154 1.00 0.00 C ATOM 278 O LEU A 284 20.704 -9.633 -27.207 1.00 0.00 O ATOM 279 CB LEU A 284 18.090 -9.405 -25.450 1.00 0.00 C ATOM 280 CG LEU A 284 17.190 -9.928 -24.332 1.00 0.00 C ATOM 281 CD1 LEU A 284 15.725 -9.743 -24.733 1.00 0.00 C ATOM 282 CD2 LEU A 284 17.478 -11.413 -24.104 1.00 0.00 C ATOM 0 H LEU A 284 19.146 -8.566 -23.389 1.00 0.00 H new ATOM 0 HA LEU A 284 19.711 -10.771 -25.097 1.00 0.00 H new ATOM 0 HB2 LEU A 284 17.941 -8.333 -25.580 1.00 0.00 H new ATOM 0 HB3 LEU A 284 17.827 -9.880 -26.395 1.00 0.00 H new ATOM 0 HG LEU A 284 17.386 -9.376 -23.413 1.00 0.00 H new ATOM 0 HD11 LEU A 284 15.080 -10.115 -23.937 1.00 0.00 H new ATOM 0 HD12 LEU A 284 15.524 -8.684 -24.898 1.00 0.00 H new ATOM 0 HD13 LEU A 284 15.526 -10.297 -25.650 1.00 0.00 H new ATOM 0 HD21 LEU A 284 16.837 -11.790 -23.307 1.00 0.00 H new ATOM 0 HD22 LEU A 284 17.279 -11.967 -25.021 1.00 0.00 H new ATOM 0 HD23 LEU A 284 18.523 -11.542 -23.821 1.00 0.00 H new ATOM 294 N SER A 285 20.896 -7.836 -25.838 1.00 0.00 N ATOM 295 CA SER A 285 21.758 -7.054 -26.721 1.00 0.00 C ATOM 296 C SER A 285 20.928 -6.015 -27.461 1.00 0.00 C ATOM 297 O SER A 285 20.096 -5.332 -26.865 1.00 0.00 O ATOM 298 CB SER A 285 22.491 -7.945 -27.728 1.00 0.00 C ATOM 299 OG SER A 285 21.614 -8.266 -28.799 1.00 0.00 O ATOM 0 H SER A 285 20.670 -7.366 -24.961 1.00 0.00 H new ATOM 0 HA SER A 285 22.508 -6.558 -26.105 1.00 0.00 H new ATOM 0 HB2 SER A 285 23.375 -7.433 -28.108 1.00 0.00 H new ATOM 0 HB3 SER A 285 22.836 -8.857 -27.240 1.00 0.00 H new ATOM 0 HG SER A 285 20.892 -8.842 -28.470 1.00 0.00 H new ATOM 305 N ASN A 286 21.157 -5.901 -28.759 1.00 0.00 N ATOM 306 CA ASN A 286 20.420 -4.940 -29.569 1.00 0.00 C ATOM 307 C ASN A 286 18.922 -5.216 -29.501 1.00 0.00 C ATOM 308 O ASN A 286 18.109 -4.294 -29.570 1.00 0.00 O ATOM 309 CB ASN A 286 20.890 -5.010 -31.024 1.00 0.00 C ATOM 310 CG ASN A 286 22.376 -4.677 -31.108 1.00 0.00 C ATOM 311 OD1 ASN A 286 23.124 -5.347 -31.821 1.00 0.00 O ATOM 312 ND2 ASN A 286 22.850 -3.678 -30.417 1.00 0.00 N ATOM 0 H ASN A 286 21.841 -6.456 -29.273 1.00 0.00 H new ATOM 0 HA ASN A 286 20.611 -3.942 -29.175 1.00 0.00 H new ATOM 0 HB2 ASN A 286 20.709 -6.007 -31.426 1.00 0.00 H new ATOM 0 HB3 ASN A 286 20.317 -4.312 -31.634 1.00 0.00 H new ATOM 0 HD21 ASN A 286 23.843 -3.450 -30.466 1.00 0.00 H new ATOM 0 HD22 ASN A 286 22.228 -3.125 -29.827 1.00 0.00 H new ATOM 319 N VAL A 287 18.562 -6.488 -29.362 1.00 0.00 N ATOM 320 CA VAL A 287 17.157 -6.862 -29.282 1.00 0.00 C ATOM 321 C VAL A 287 16.499 -6.174 -28.095 1.00 0.00 C ATOM 322 O VAL A 287 15.330 -5.795 -28.149 1.00 0.00 O ATOM 323 CB VAL A 287 17.026 -8.379 -29.136 1.00 0.00 C ATOM 324 CG1 VAL A 287 15.565 -8.746 -28.875 1.00 0.00 C ATOM 325 CG2 VAL A 287 17.498 -9.057 -30.425 1.00 0.00 C ATOM 0 H VAL A 287 19.216 -7.268 -29.303 1.00 0.00 H new ATOM 0 HA VAL A 287 16.658 -6.546 -30.198 1.00 0.00 H new ATOM 0 HB VAL A 287 17.639 -8.716 -28.300 1.00 0.00 H new ATOM 0 HG11 VAL A 287 15.474 -9.827 -28.771 1.00 0.00 H new ATOM 0 HG12 VAL A 287 15.227 -8.264 -27.958 1.00 0.00 H new ATOM 0 HG13 VAL A 287 14.950 -8.409 -29.710 1.00 0.00 H new ATOM 0 HG21 VAL A 287 17.405 -10.138 -30.322 1.00 0.00 H new ATOM 0 HG22 VAL A 287 16.885 -8.718 -31.260 1.00 0.00 H new ATOM 0 HG23 VAL A 287 18.540 -8.798 -30.612 1.00 0.00 H new