USER MOD reduce.3.24.130724 H: found=0, std=0, add=161, rem=0, adj=3 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= -1.63 K(o=-1.6,f=-0.24) USER MOD Single : A 269 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 274 LYS NZ :NH3+ 157:sc= -0.0407 (180deg=-0.574) USER MOD Single : A 276 GLN : amide:sc= -7.86! C(o=-7.9!,f=-2.7!) USER MOD Single : A 279 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.46) USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 281 LYS NZ :NH3+ 159:sc= -0.107 (180deg=-0.576) USER MOD Single : A 285 SER OG : rot -69:sc= -0.39! USER MOD Single : A 286 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 23 N HIS A 268 8.446 -24.374 -22.441 1.00 0.00 N ATOM 24 CA HIS A 268 7.623 -23.529 -21.585 1.00 0.00 C ATOM 25 C HIS A 268 6.216 -23.400 -22.158 1.00 0.00 C ATOM 26 O HIS A 268 5.232 -23.389 -21.418 1.00 0.00 O ATOM 27 CB HIS A 268 8.254 -22.141 -21.455 1.00 0.00 C ATOM 28 CG HIS A 268 7.477 -21.330 -20.456 1.00 0.00 C ATOM 29 ND1 HIS A 268 7.678 -19.968 -20.294 1.00 0.00 N ATOM 30 CD2 HIS A 268 6.495 -21.673 -19.559 1.00 0.00 C ATOM 31 CE1 HIS A 268 6.837 -19.546 -19.333 1.00 0.00 C ATOM 32 NE2 HIS A 268 6.092 -20.545 -18.851 1.00 0.00 N ATOM 0 HA HIS A 268 7.562 -23.991 -20.600 1.00 0.00 H new ATOM 0 HB2 HIS A 268 9.293 -22.230 -21.138 1.00 0.00 H new ATOM 0 HB3 HIS A 268 8.258 -21.639 -22.423 1.00 0.00 H new ATOM 0 HD2 HIS A 268 6.096 -22.667 -19.424 1.00 0.00 H new ATOM 0 HE1 HIS A 268 6.772 -18.523 -18.992 1.00 0.00 H new ATOM 0 HE2 HIS A 268 5.381 -20.492 -18.121 1.00 0.00 H new ATOM 41 N GLN A 269 6.125 -23.313 -23.481 1.00 0.00 N ATOM 42 CA GLN A 269 4.828 -23.196 -24.136 1.00 0.00 C ATOM 43 C GLN A 269 4.027 -24.485 -23.925 1.00 0.00 C ATOM 44 O GLN A 269 4.592 -25.577 -23.980 1.00 0.00 O ATOM 45 CB GLN A 269 5.033 -22.949 -25.634 1.00 0.00 C ATOM 46 CG GLN A 269 3.788 -22.288 -26.231 1.00 0.00 C ATOM 47 CD GLN A 269 4.065 -21.864 -27.669 1.00 0.00 C ATOM 48 OE1 GLN A 269 3.771 -22.607 -28.604 1.00 0.00 O ATOM 49 NE2 GLN A 269 4.617 -20.704 -27.902 1.00 0.00 N ATOM 0 H GLN A 269 6.924 -23.321 -24.114 1.00 0.00 H new ATOM 0 HA GLN A 269 4.277 -22.360 -23.706 1.00 0.00 H new ATOM 0 HB2 GLN A 269 5.903 -22.312 -25.790 1.00 0.00 H new ATOM 0 HB3 GLN A 269 5.233 -23.892 -26.142 1.00 0.00 H new ATOM 0 HG2 GLN A 269 2.948 -22.982 -26.203 1.00 0.00 H new ATOM 0 HG3 GLN A 269 3.505 -21.420 -25.635 1.00 0.00 H new ATOM 0 HE21 GLN A 269 4.860 -20.090 -27.125 1.00 0.00 H new ATOM 0 HE22 GLN A 269 4.805 -20.412 -28.861 1.00 0.00 H new ATOM 58 N PRO A 270 2.741 -24.394 -23.676 1.00 0.00 N ATOM 59 CA PRO A 270 1.929 -25.628 -23.453 1.00 0.00 C ATOM 60 C PRO A 270 1.948 -26.558 -24.664 1.00 0.00 C ATOM 61 O PRO A 270 1.736 -27.762 -24.534 1.00 0.00 O ATOM 62 CB PRO A 270 0.508 -25.120 -23.155 1.00 0.00 C ATOM 63 CG PRO A 270 0.493 -23.684 -23.556 1.00 0.00 C ATOM 64 CD PRO A 270 1.928 -23.188 -23.440 1.00 0.00 C ATOM 0 HA PRO A 270 2.331 -26.226 -22.635 1.00 0.00 H new ATOM 0 HB2 PRO A 270 -0.235 -25.689 -23.714 1.00 0.00 H new ATOM 0 HB3 PRO A 270 0.267 -25.233 -22.098 1.00 0.00 H new ATOM 0 HG2 PRO A 270 0.124 -23.570 -24.575 1.00 0.00 H new ATOM 0 HG3 PRO A 270 -0.170 -23.108 -22.911 1.00 0.00 H new ATOM 0 HD2 PRO A 270 2.143 -22.412 -24.174 1.00 0.00 H new ATOM 0 HD3 PRO A 270 2.124 -22.760 -22.457 1.00 0.00 H new ATOM 72 N GLY A 271 2.209 -25.996 -25.839 1.00 0.00 N ATOM 73 CA GLY A 271 2.259 -26.796 -27.057 1.00 0.00 C ATOM 74 C GLY A 271 0.865 -27.239 -27.486 1.00 0.00 C ATOM 75 O GLY A 271 0.669 -28.381 -27.903 1.00 0.00 O ATOM 0 H GLY A 271 2.387 -25.001 -25.974 1.00 0.00 H new ATOM 0 HA2 GLY A 271 2.721 -26.217 -27.856 1.00 0.00 H new ATOM 0 HA3 GLY A 271 2.887 -27.672 -26.894 1.00 0.00 H new ATOM 79 N GLY A 272 -0.102 -26.332 -27.388 1.00 0.00 N ATOM 80 CA GLY A 272 -1.472 -26.650 -27.777 1.00 0.00 C ATOM 81 C GLY A 272 -2.300 -27.111 -26.581 1.00 0.00 C ATOM 82 O GLY A 272 -3.330 -27.765 -26.745 1.00 0.00 O ATOM 0 H GLY A 272 0.035 -25.381 -27.046 1.00 0.00 H new ATOM 0 HA2 GLY A 272 -1.937 -25.772 -28.226 1.00 0.00 H new ATOM 0 HA3 GLY A 272 -1.464 -27.431 -28.538 1.00 0.00 H new ATOM 86 N GLY A 273 -1.849 -26.764 -25.379 1.00 0.00 N ATOM 87 CA GLY A 273 -2.569 -27.148 -24.169 1.00 0.00 C ATOM 88 C GLY A 273 -2.199 -28.559 -23.723 1.00 0.00 C ATOM 89 O GLY A 273 -3.072 -29.362 -23.390 1.00 0.00 O ATOM 0 H GLY A 273 -0.999 -26.224 -25.217 1.00 0.00 H new ATOM 0 HA2 GLY A 273 -2.343 -26.442 -23.370 1.00 0.00 H new ATOM 0 HA3 GLY A 273 -3.642 -27.092 -24.350 1.00 0.00 H new ATOM 93 N LYS A 274 -0.903 -28.856 -23.713 1.00 0.00 N ATOM 94 CA LYS A 274 -0.438 -30.175 -23.301 1.00 0.00 C ATOM 95 C LYS A 274 -0.912 -30.493 -21.883 1.00 0.00 C ATOM 96 O LYS A 274 -1.455 -31.568 -21.633 1.00 0.00 O ATOM 97 CB LYS A 274 1.092 -30.224 -23.359 1.00 0.00 C ATOM 98 CG LYS A 274 1.585 -31.608 -22.936 1.00 0.00 C ATOM 99 CD LYS A 274 3.114 -31.644 -22.990 1.00 0.00 C ATOM 100 CE LYS A 274 3.605 -33.063 -22.701 1.00 0.00 C ATOM 101 NZ LYS A 274 3.195 -33.966 -23.813 1.00 0.00 N ATOM 0 H LYS A 274 -0.163 -28.208 -23.983 1.00 0.00 H new ATOM 0 HA LYS A 274 -0.852 -30.919 -23.981 1.00 0.00 H new ATOM 0 HB2 LYS A 274 1.434 -30.000 -24.370 1.00 0.00 H new ATOM 0 HB3 LYS A 274 1.514 -29.462 -22.704 1.00 0.00 H new ATOM 0 HG2 LYS A 274 1.241 -31.836 -21.927 1.00 0.00 H new ATOM 0 HG3 LYS A 274 1.169 -32.371 -23.594 1.00 0.00 H new ATOM 0 HD2 LYS A 274 3.461 -31.321 -23.972 1.00 0.00 H new ATOM 0 HD3 LYS A 274 3.530 -30.949 -22.261 1.00 0.00 H new ATOM 0 HE2 LYS A 274 4.690 -33.069 -22.594 1.00 0.00 H new ATOM 0 HE3 LYS A 274 3.190 -33.418 -21.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 3.822 -34.795 -23.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 2.214 -34.278 -23.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 3.262 -33.456 -24.717 1.00 0.00 H new ATOM 115 N VAL A 275 -0.712 -29.542 -20.972 1.00 0.00 N ATOM 116 CA VAL A 275 -1.124 -29.704 -19.574 1.00 0.00 C ATOM 117 C VAL A 275 -0.619 -28.527 -18.749 1.00 0.00 C ATOM 118 O VAL A 275 -1.166 -28.209 -17.693 1.00 0.00 O ATOM 119 CB VAL A 275 -0.562 -31.004 -18.982 1.00 0.00 C ATOM 120 CG1 VAL A 275 0.957 -31.057 -19.183 1.00 0.00 C ATOM 121 CG2 VAL A 275 -0.880 -31.047 -17.483 1.00 0.00 C ATOM 0 H VAL A 275 -0.266 -28.648 -21.176 1.00 0.00 H new ATOM 0 HA VAL A 275 -2.213 -29.744 -19.545 1.00 0.00 H new ATOM 0 HB VAL A 275 -1.016 -31.858 -19.484 1.00 0.00 H new ATOM 0 HG11 VAL A 275 1.348 -31.982 -18.760 1.00 0.00 H new ATOM 0 HG12 VAL A 275 1.185 -31.020 -20.248 1.00 0.00 H new ATOM 0 HG13 VAL A 275 1.420 -30.206 -18.684 1.00 0.00 H new ATOM 0 HG21 VAL A 275 -0.485 -31.967 -17.053 1.00 0.00 H new ATOM 0 HG22 VAL A 275 -0.422 -30.190 -16.989 1.00 0.00 H new ATOM 0 HG23 VAL A 275 -1.960 -31.014 -17.339 1.00 0.00 H new ATOM 131 N GLN A 276 0.435 -27.893 -19.248 1.00 0.00 N ATOM 132 CA GLN A 276 1.036 -26.748 -18.574 1.00 0.00 C ATOM 133 C GLN A 276 -0.021 -25.665 -18.319 1.00 0.00 C ATOM 134 O GLN A 276 -1.205 -25.966 -18.193 1.00 0.00 O ATOM 135 CB GLN A 276 2.191 -26.212 -19.448 1.00 0.00 C ATOM 136 CG GLN A 276 3.546 -26.501 -18.788 1.00 0.00 C ATOM 137 CD GLN A 276 3.875 -27.985 -18.900 1.00 0.00 C ATOM 138 OE1 GLN A 276 4.967 -28.348 -19.336 1.00 0.00 O ATOM 139 NE2 GLN A 276 2.987 -28.870 -18.538 1.00 0.00 N ATOM 0 H GLN A 276 0.893 -28.154 -20.121 1.00 0.00 H new ATOM 0 HA GLN A 276 1.433 -27.049 -17.605 1.00 0.00 H new ATOM 0 HB2 GLN A 276 2.154 -26.676 -20.434 1.00 0.00 H new ATOM 0 HB3 GLN A 276 2.074 -25.138 -19.596 1.00 0.00 H new ATOM 0 HG2 GLN A 276 4.327 -25.910 -19.267 1.00 0.00 H new ATOM 0 HG3 GLN A 276 3.520 -26.204 -17.740 1.00 0.00 H new ATOM 0 HE21 GLN A 276 2.083 -28.567 -18.177 1.00 0.00 H new ATOM 0 HE22 GLN A 276 3.197 -29.865 -18.616 1.00 0.00 H new ATOM 148 N ILE A 277 0.413 -24.413 -18.233 1.00 0.00 N ATOM 149 CA ILE A 277 -0.504 -23.305 -17.985 1.00 0.00 C ATOM 150 C ILE A 277 -1.587 -23.244 -19.066 1.00 0.00 C ATOM 151 O ILE A 277 -2.609 -22.582 -18.891 1.00 0.00 O ATOM 152 CB ILE A 277 0.277 -21.988 -17.959 1.00 0.00 C ATOM 153 CG1 ILE A 277 1.398 -22.086 -16.923 1.00 0.00 C ATOM 154 CG2 ILE A 277 -0.660 -20.842 -17.571 1.00 0.00 C ATOM 155 CD1 ILE A 277 2.267 -20.828 -16.991 1.00 0.00 C ATOM 0 H ILE A 277 1.391 -24.139 -18.331 1.00 0.00 H new ATOM 0 HA ILE A 277 -0.988 -23.463 -17.021 1.00 0.00 H new ATOM 0 HB ILE A 277 0.698 -21.799 -18.947 1.00 0.00 H new ATOM 0 HG12 ILE A 277 0.976 -22.196 -15.924 1.00 0.00 H new ATOM 0 HG13 ILE A 277 2.005 -22.971 -17.111 1.00 0.00 H new ATOM 0 HG21 ILE A 277 -0.102 -19.906 -17.553 1.00 0.00 H new ATOM 0 HG22 ILE A 277 -1.467 -20.769 -18.300 1.00 0.00 H new ATOM 0 HG23 ILE A 277 -1.079 -21.033 -16.583 1.00 0.00 H new ATOM 0 HD11 ILE A 277 3.066 -20.897 -16.253 1.00 0.00 H new ATOM 0 HD12 ILE A 277 2.700 -20.738 -17.987 1.00 0.00 H new ATOM 0 HD13 ILE A 277 1.655 -19.951 -16.781 1.00 0.00 H new ATOM 167 N ILE A 278 -1.346 -23.935 -20.181 1.00 0.00 N ATOM 168 CA ILE A 278 -2.293 -23.963 -21.303 1.00 0.00 C ATOM 169 C ILE A 278 -2.446 -22.585 -21.941 1.00 0.00 C ATOM 170 O ILE A 278 -2.901 -22.473 -23.080 1.00 0.00 O ATOM 171 CB ILE A 278 -3.669 -24.474 -20.854 1.00 0.00 C ATOM 172 CG1 ILE A 278 -3.575 -25.958 -20.493 1.00 0.00 C ATOM 173 CG2 ILE A 278 -4.670 -24.298 -21.996 1.00 0.00 C ATOM 174 CD1 ILE A 278 -4.861 -26.396 -19.790 1.00 0.00 C ATOM 0 H ILE A 278 -0.501 -24.485 -20.334 1.00 0.00 H new ATOM 0 HA ILE A 278 -1.884 -24.648 -22.046 1.00 0.00 H new ATOM 0 HB ILE A 278 -3.998 -23.908 -19.982 1.00 0.00 H new ATOM 0 HG12 ILE A 278 -3.420 -26.553 -21.393 1.00 0.00 H new ATOM 0 HG13 ILE A 278 -2.716 -26.131 -19.844 1.00 0.00 H new ATOM 0 HG21 ILE A 278 -5.649 -24.660 -21.681 1.00 0.00 H new ATOM 0 HG22 ILE A 278 -4.741 -23.242 -22.258 1.00 0.00 H new ATOM 0 HG23 ILE A 278 -4.335 -24.866 -22.864 1.00 0.00 H new ATOM 0 HD11 ILE A 278 -4.793 -27.453 -19.533 1.00 0.00 H new ATOM 0 HD12 ILE A 278 -4.997 -25.810 -18.881 1.00 0.00 H new ATOM 0 HD13 ILE A 278 -5.711 -26.238 -20.454 1.00 0.00 H new ATOM 186 N ASN A 279 -2.065 -21.538 -21.218 1.00 0.00 N ATOM 187 CA ASN A 279 -2.176 -20.186 -21.756 1.00 0.00 C ATOM 188 C ASN A 279 -0.899 -19.798 -22.494 1.00 0.00 C ATOM 189 O ASN A 279 -0.056 -19.077 -21.959 1.00 0.00 O ATOM 190 CB ASN A 279 -2.435 -19.185 -20.627 1.00 0.00 C ATOM 191 CG ASN A 279 -3.691 -19.581 -19.857 1.00 0.00 C ATOM 192 OD1 ASN A 279 -4.682 -19.997 -20.456 1.00 0.00 O ATOM 193 ND2 ASN A 279 -3.708 -19.474 -18.556 1.00 0.00 N ATOM 0 H ASN A 279 -1.683 -21.595 -20.274 1.00 0.00 H new ATOM 0 HA ASN A 279 -3.012 -20.166 -22.455 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -1.579 -19.155 -19.953 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -2.552 -18.182 -21.038 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -4.544 -19.736 -18.034 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -2.885 -19.129 -18.062 1.00 0.00 H new ATOM 200 N LYS A 280 -0.765 -20.274 -23.728 1.00 0.00 N ATOM 201 CA LYS A 280 0.412 -19.962 -24.532 1.00 0.00 C ATOM 202 C LYS A 280 0.549 -18.456 -24.707 1.00 0.00 C ATOM 203 O LYS A 280 1.642 -17.941 -24.942 1.00 0.00 O ATOM 204 CB LYS A 280 0.330 -20.666 -25.902 1.00 0.00 C ATOM 205 CG LYS A 280 -0.589 -19.909 -26.882 1.00 0.00 C ATOM 206 CD LYS A 280 -2.042 -19.950 -26.393 1.00 0.00 C ATOM 207 CE LYS A 280 -2.521 -21.403 -26.308 1.00 0.00 C ATOM 208 NZ LYS A 280 -3.994 -21.453 -26.535 1.00 0.00 N ATOM 0 H LYS A 280 -1.450 -20.872 -24.190 1.00 0.00 H new ATOM 0 HA LYS A 280 1.297 -20.329 -24.012 1.00 0.00 H new ATOM 0 HB2 LYS A 280 1.329 -20.746 -26.330 1.00 0.00 H new ATOM 0 HB3 LYS A 280 -0.041 -21.682 -25.767 1.00 0.00 H new ATOM 0 HG2 LYS A 280 -0.259 -18.874 -26.974 1.00 0.00 H new ATOM 0 HG3 LYS A 280 -0.520 -20.356 -27.874 1.00 0.00 H new ATOM 0 HD2 LYS A 280 -2.120 -19.474 -25.415 1.00 0.00 H new ATOM 0 HD3 LYS A 280 -2.680 -19.386 -27.073 1.00 0.00 H new ATOM 0 HE2 LYS A 280 -2.006 -22.011 -27.052 1.00 0.00 H new ATOM 0 HE3 LYS A 280 -2.278 -21.821 -25.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 -4.321 -22.439 -26.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 -4.477 -20.885 -25.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 -4.213 -21.070 -27.477 1.00 0.00 H new ATOM 222 N LYS A 281 -0.572 -17.757 -24.595 1.00 0.00 N ATOM 223 CA LYS A 281 -0.583 -16.310 -24.745 1.00 0.00 C ATOM 224 C LYS A 281 0.413 -15.666 -23.787 1.00 0.00 C ATOM 225 O LYS A 281 1.089 -14.699 -24.138 1.00 0.00 O ATOM 226 CB LYS A 281 -1.990 -15.789 -24.451 1.00 0.00 C ATOM 227 CG LYS A 281 -2.979 -16.372 -25.474 1.00 0.00 C ATOM 228 CD LYS A 281 -4.330 -16.627 -24.801 1.00 0.00 C ATOM 229 CE LYS A 281 -4.953 -15.296 -24.377 1.00 0.00 C ATOM 230 NZ LYS A 281 -5.241 -14.474 -25.587 1.00 0.00 N ATOM 0 H LYS A 281 -1.485 -18.169 -24.401 1.00 0.00 H new ATOM 0 HA LYS A 281 -0.296 -16.054 -25.765 1.00 0.00 H new ATOM 0 HB2 LYS A 281 -2.289 -16.069 -23.441 1.00 0.00 H new ATOM 0 HB3 LYS A 281 -2.003 -14.700 -24.497 1.00 0.00 H new ATOM 0 HG2 LYS A 281 -3.102 -15.682 -26.309 1.00 0.00 H new ATOM 0 HG3 LYS A 281 -2.586 -17.302 -25.885 1.00 0.00 H new ATOM 0 HD2 LYS A 281 -4.996 -17.149 -25.487 1.00 0.00 H new ATOM 0 HD3 LYS A 281 -4.199 -17.272 -23.932 1.00 0.00 H new ATOM 0 HE2 LYS A 281 -5.872 -15.474 -23.818 1.00 0.00 H new ATOM 0 HE3 LYS A 281 -4.275 -14.760 -23.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 -5.961 -13.759 -25.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 -4.370 -14.000 -25.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 -5.593 -15.089 -26.348 1.00 0.00 H new ATOM 244 N LEU A 282 0.505 -16.213 -22.578 1.00 0.00 N ATOM 245 CA LEU A 282 1.432 -15.683 -21.586 1.00 0.00 C ATOM 246 C LEU A 282 2.872 -15.889 -22.045 1.00 0.00 C ATOM 247 O LEU A 282 3.738 -15.048 -21.803 1.00 0.00 O ATOM 248 CB LEU A 282 1.219 -16.385 -20.242 1.00 0.00 C ATOM 249 CG LEU A 282 -0.234 -16.212 -19.792 1.00 0.00 C ATOM 250 CD1 LEU A 282 -0.422 -16.864 -18.421 1.00 0.00 C ATOM 251 CD2 LEU A 282 -0.568 -14.721 -19.697 1.00 0.00 C ATOM 0 H LEU A 282 -0.044 -17.013 -22.265 1.00 0.00 H new ATOM 0 HA LEU A 282 1.244 -14.616 -21.470 1.00 0.00 H new ATOM 0 HB2 LEU A 282 1.458 -17.445 -20.333 1.00 0.00 H new ATOM 0 HB3 LEU A 282 1.893 -15.969 -19.493 1.00 0.00 H new ATOM 0 HG LEU A 282 -0.897 -16.686 -20.516 1.00 0.00 H new ATOM 0 HD11 LEU A 282 -1.456 -16.742 -18.099 1.00 0.00 H new ATOM 0 HD12 LEU A 282 -0.186 -17.926 -18.488 1.00 0.00 H new ATOM 0 HD13 LEU A 282 0.242 -16.389 -17.698 1.00 0.00 H new ATOM 0 HD21 LEU A 282 -1.603 -14.600 -19.377 1.00 0.00 H new ATOM 0 HD22 LEU A 282 0.094 -14.245 -18.974 1.00 0.00 H new ATOM 0 HD23 LEU A 282 -0.433 -14.255 -20.673 1.00 0.00 H new ATOM 263 N ASP A 283 3.117 -17.013 -22.710 1.00 0.00 N ATOM 264 CA ASP A 283 4.454 -17.323 -23.202 1.00 0.00 C ATOM 265 C ASP A 283 4.729 -16.595 -24.514 1.00 0.00 C ATOM 266 O ASP A 283 3.955 -16.699 -25.466 1.00 0.00 O ATOM 267 CB ASP A 283 4.595 -18.832 -23.412 1.00 0.00 C ATOM 268 CG ASP A 283 4.529 -19.549 -22.068 1.00 0.00 C ATOM 269 OD1 ASP A 283 4.636 -18.878 -21.054 1.00 0.00 O ATOM 270 OD2 ASP A 283 4.373 -20.759 -22.070 1.00 0.00 O ATOM 0 H ASP A 283 2.412 -17.720 -22.920 1.00 0.00 H new ATOM 0 HA ASP A 283 5.179 -16.990 -22.460 1.00 0.00 H new ATOM 0 HB2 ASP A 283 3.802 -19.193 -24.066 1.00 0.00 H new ATOM 0 HB3 ASP A 283 5.541 -19.053 -23.906 1.00 0.00 H new ATOM 275 N LEU A 284 5.838 -15.869 -24.559 1.00 0.00 N ATOM 276 CA LEU A 284 6.212 -15.136 -25.761 1.00 0.00 C ATOM 277 C LEU A 284 6.648 -16.105 -26.855 1.00 0.00 C ATOM 278 O LEU A 284 6.571 -15.786 -28.041 1.00 0.00 O ATOM 279 CB LEU A 284 7.336 -14.150 -25.449 1.00 0.00 C ATOM 280 CG LEU A 284 6.819 -13.072 -24.491 1.00 0.00 C ATOM 281 CD1 LEU A 284 6.525 -13.691 -23.120 1.00 0.00 C ATOM 282 CD2 LEU A 284 7.878 -11.977 -24.341 1.00 0.00 C ATOM 0 H LEU A 284 6.491 -15.772 -23.782 1.00 0.00 H new ATOM 0 HA LEU A 284 5.345 -14.577 -26.115 1.00 0.00 H new ATOM 0 HB2 LEU A 284 8.180 -14.674 -25.002 1.00 0.00 H new ATOM 0 HB3 LEU A 284 7.697 -13.691 -26.369 1.00 0.00 H new ATOM 0 HG LEU A 284 5.902 -12.642 -24.893 1.00 0.00 H new ATOM 0 HD11 LEU A 284 6.158 -12.919 -22.444 1.00 0.00 H new ATOM 0 HD12 LEU A 284 5.770 -14.469 -23.227 1.00 0.00 H new ATOM 0 HD13 LEU A 284 7.438 -14.125 -22.713 1.00 0.00 H new ATOM 0 HD21 LEU A 284 7.513 -11.208 -23.660 1.00 0.00 H new ATOM 0 HD22 LEU A 284 8.795 -12.410 -23.941 1.00 0.00 H new ATOM 0 HD23 LEU A 284 8.081 -11.532 -25.315 1.00 0.00 H new ATOM 294 N SER A 285 7.104 -17.285 -26.433 1.00 0.00 N ATOM 295 CA SER A 285 7.557 -18.328 -27.355 1.00 0.00 C ATOM 296 C SER A 285 9.071 -18.276 -27.536 1.00 0.00 C ATOM 297 O SER A 285 9.575 -17.653 -28.468 1.00 0.00 O ATOM 298 CB SER A 285 6.866 -18.195 -28.715 1.00 0.00 C ATOM 299 OG SER A 285 7.564 -17.246 -29.511 1.00 0.00 O ATOM 0 H SER A 285 7.170 -17.544 -25.449 1.00 0.00 H new ATOM 0 HA SER A 285 7.289 -19.291 -26.920 1.00 0.00 H new ATOM 0 HB2 SER A 285 6.843 -19.161 -29.219 1.00 0.00 H new ATOM 0 HB3 SER A 285 5.831 -17.881 -28.580 1.00 0.00 H new ATOM 0 HG SER A 285 7.439 -16.349 -29.136 1.00 0.00 H new ATOM 305 N ASN A 286 9.782 -18.955 -26.637 1.00 0.00 N ATOM 306 CA ASN A 286 11.243 -19.013 -26.684 1.00 0.00 C ATOM 307 C ASN A 286 11.872 -17.642 -26.443 1.00 0.00 C ATOM 308 O ASN A 286 12.741 -17.497 -25.583 1.00 0.00 O ATOM 309 CB ASN A 286 11.705 -19.558 -28.038 1.00 0.00 C ATOM 310 CG ASN A 286 13.204 -19.837 -28.002 1.00 0.00 C ATOM 311 OD1 ASN A 286 13.991 -19.083 -28.573 1.00 0.00 O ATOM 312 ND2 ASN A 286 13.648 -20.882 -27.359 1.00 0.00 N ATOM 0 H ASN A 286 9.368 -19.475 -25.864 1.00 0.00 H new ATOM 0 HA ASN A 286 11.570 -19.680 -25.887 1.00 0.00 H new ATOM 0 HB2 ASN A 286 11.162 -20.473 -28.276 1.00 0.00 H new ATOM 0 HB3 ASN A 286 11.479 -18.839 -28.825 1.00 0.00 H new ATOM 0 HD21 ASN A 286 14.649 -21.075 -27.329 1.00 0.00 H new ATOM 0 HD22 ASN A 286 12.994 -21.506 -26.886 1.00 0.00 H new ATOM 319 N VAL A 287 11.439 -16.638 -27.200 1.00 0.00 N ATOM 320 CA VAL A 287 11.983 -15.296 -27.039 1.00 0.00 C ATOM 321 C VAL A 287 11.801 -14.825 -25.601 1.00 0.00 C ATOM 322 O VAL A 287 12.502 -13.927 -25.134 1.00 0.00 O ATOM 323 CB VAL A 287 11.294 -14.327 -28.001 1.00 0.00 C ATOM 324 CG1 VAL A 287 9.873 -14.053 -27.516 1.00 0.00 C ATOM 325 CG2 VAL A 287 12.074 -13.013 -28.048 1.00 0.00 C ATOM 0 H VAL A 287 10.723 -16.727 -27.921 1.00 0.00 H new ATOM 0 HA VAL A 287 13.048 -15.320 -27.269 1.00 0.00 H new ATOM 0 HB VAL A 287 11.262 -14.768 -28.997 1.00 0.00 H new ATOM 0 HG11 VAL A 287 9.381 -13.362 -28.201 1.00 0.00 H new ATOM 0 HG12 VAL A 287 9.314 -14.988 -27.480 1.00 0.00 H new ATOM 0 HG13 VAL A 287 9.907 -13.613 -26.520 1.00 0.00 H new ATOM 0 HG21 VAL A 287 11.583 -12.323 -28.734 1.00 0.00 H new ATOM 0 HG22 VAL A 287 12.106 -12.573 -27.051 1.00 0.00 H new ATOM 0 HG23 VAL A 287 13.090 -13.205 -28.393 1.00 0.00 H new