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= -1.56 X(o=-1.8,f=-1.6) USER MOD Set 1.2: A 286 ASN : amide:sc= -0.192 X(o=-1.8,f=-1.6) USER MOD Single : A 268 HIS :FLIP no HE2:sc= -1.34 F(o=-2.7!,f=-1.3) USER MOD Single : A 274 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 276 GLN : amide:sc= 0.154 X(o=0.15,f=-0.33) USER MOD Single : A 279 ASN :FLIP amide:sc= -0.911 F(o=-4.6!,f=-0.91) USER MOD Single : A 280 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 281 LYS NZ :NH3+ 163:sc= -0.473 (180deg=-1.29) USER MOD Single : A 285 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N HIS A 268 21.429 -20.713 -14.583 1.00 0.00 N ATOM 24 CA HIS A 268 21.740 -19.492 -13.850 1.00 0.00 C ATOM 25 C HIS A 268 20.466 -18.896 -13.267 1.00 0.00 C ATOM 26 O HIS A 268 20.505 -18.128 -12.306 1.00 0.00 O ATOM 27 CB HIS A 268 22.407 -18.475 -14.777 1.00 0.00 C ATOM 28 CG HIS A 268 22.630 -17.189 -14.028 1.00 0.00 C ATOM 29 ND1 HIS A 268 22.749 -16.917 -12.687 1.00 0.00 N flip ATOM 30 CD2 HIS A 268 22.754 -15.969 -14.674 1.00 0.00 C flip ATOM 31 CE1 HIS A 268 22.946 -15.552 -12.502 1.00 0.00 C flip ATOM 32 NE2 HIS A 268 22.940 -15.028 -13.732 1.00 0.00 N flip ATOM 0 HA HIS A 268 22.426 -19.736 -13.039 1.00 0.00 H new ATOM 0 HB2 HIS A 268 23.357 -18.866 -15.141 1.00 0.00 H new ATOM 0 HB3 HIS A 268 21.780 -18.296 -15.650 1.00 0.00 H new ATOM 0 HD1 HIS A 268 22.700 -17.610 -11.940 1.00 0.00 H new ATOM 0 HD2 HIS A 268 22.709 -15.804 -15.740 1.00 0.00 H new ATOM 0 HE1 HIS A 268 23.076 -15.029 -11.566 1.00 0.00 H new ATOM 41 N GLN A 269 19.335 -19.255 -13.863 1.00 0.00 N ATOM 42 CA GLN A 269 18.049 -18.749 -13.405 1.00 0.00 C ATOM 43 C GLN A 269 17.962 -18.773 -11.877 1.00 0.00 C ATOM 44 O GLN A 269 17.446 -17.834 -11.270 1.00 0.00 O ATOM 45 CB GLN A 269 16.904 -19.576 -14.014 1.00 0.00 C ATOM 46 CG GLN A 269 16.507 -18.991 -15.374 1.00 0.00 C ATOM 47 CD GLN A 269 17.727 -18.924 -16.287 1.00 0.00 C ATOM 48 OE1 GLN A 269 18.191 -17.835 -16.624 1.00 0.00 O ATOM 49 NE2 GLN A 269 18.277 -20.029 -16.709 1.00 0.00 N ATOM 0 H GLN A 269 19.283 -19.890 -14.659 1.00 0.00 H new ATOM 0 HA GLN A 269 17.955 -17.715 -13.735 1.00 0.00 H new ATOM 0 HB2 GLN A 269 17.215 -20.614 -14.131 1.00 0.00 H new ATOM 0 HB3 GLN A 269 16.045 -19.575 -13.343 1.00 0.00 H new ATOM 0 HG2 GLN A 269 15.733 -19.606 -15.832 1.00 0.00 H new ATOM 0 HG3 GLN A 269 16.086 -17.994 -15.242 1.00 0.00 H new ATOM 0 HE21 GLN A 269 17.891 -20.930 -16.428 1.00 0.00 H new ATOM 0 HE22 GLN A 269 19.093 -19.992 -17.319 1.00 0.00 H new ATOM 58 N PRO A 270 18.448 -19.812 -11.240 1.00 0.00 N ATOM 59 CA PRO A 270 18.391 -19.890 -9.757 1.00 0.00 C ATOM 60 C PRO A 270 19.588 -19.197 -9.104 1.00 0.00 C ATOM 61 O PRO A 270 20.722 -19.337 -9.560 1.00 0.00 O ATOM 62 CB PRO A 270 18.394 -21.405 -9.465 1.00 0.00 C ATOM 63 CG PRO A 270 18.700 -22.087 -10.772 1.00 0.00 C ATOM 64 CD PRO A 270 19.138 -20.998 -11.747 1.00 0.00 C ATOM 0 HA PRO A 270 17.516 -19.383 -9.351 1.00 0.00 H new ATOM 0 HB2 PRO A 270 19.142 -21.654 -8.712 1.00 0.00 H new ATOM 0 HB3 PRO A 270 17.429 -21.728 -9.075 1.00 0.00 H new ATOM 0 HG2 PRO A 270 19.487 -22.831 -10.645 1.00 0.00 H new ATOM 0 HG3 PRO A 270 17.822 -22.612 -11.148 1.00 0.00 H new ATOM 0 HD2 PRO A 270 20.220 -20.867 -11.747 1.00 0.00 H new ATOM 0 HD3 PRO A 270 18.845 -21.230 -12.771 1.00 0.00 H new ATOM 72 N GLY A 271 19.324 -18.455 -8.032 1.00 0.00 N ATOM 73 CA GLY A 271 20.387 -17.749 -7.323 1.00 0.00 C ATOM 74 C GLY A 271 20.767 -18.482 -6.040 1.00 0.00 C ATOM 75 O GLY A 271 21.817 -18.222 -5.453 1.00 0.00 O ATOM 0 H GLY A 271 18.392 -18.327 -7.638 1.00 0.00 H new ATOM 0 HA2 GLY A 271 21.261 -17.659 -7.967 1.00 0.00 H new ATOM 0 HA3 GLY A 271 20.061 -16.737 -7.085 1.00 0.00 H new ATOM 79 N GLY A 272 19.904 -19.397 -5.610 1.00 0.00 N ATOM 80 CA GLY A 272 20.156 -20.159 -4.393 1.00 0.00 C ATOM 81 C GLY A 272 21.479 -20.913 -4.477 1.00 0.00 C ATOM 82 O GLY A 272 22.206 -21.018 -3.488 1.00 0.00 O ATOM 0 H GLY A 272 19.030 -19.628 -6.083 1.00 0.00 H new ATOM 0 HA2 GLY A 272 20.172 -19.485 -3.536 1.00 0.00 H new ATOM 0 HA3 GLY A 272 19.342 -20.865 -4.228 1.00 0.00 H new ATOM 86 N GLY A 273 21.784 -21.440 -5.658 1.00 0.00 N ATOM 87 CA GLY A 273 23.023 -22.186 -5.850 1.00 0.00 C ATOM 88 C GLY A 273 22.901 -23.161 -7.017 1.00 0.00 C ATOM 89 O GLY A 273 22.317 -22.838 -8.051 1.00 0.00 O ATOM 0 H GLY A 273 21.197 -21.366 -6.489 1.00 0.00 H new ATOM 0 HA2 GLY A 273 23.844 -21.493 -6.035 1.00 0.00 H new ATOM 0 HA3 GLY A 273 23.267 -22.733 -4.939 1.00 0.00 H new ATOM 93 N LYS A 274 23.459 -24.356 -6.842 1.00 0.00 N ATOM 94 CA LYS A 274 23.410 -25.375 -7.887 1.00 0.00 C ATOM 95 C LYS A 274 22.249 -26.335 -7.649 1.00 0.00 C ATOM 96 O LYS A 274 21.887 -26.617 -6.506 1.00 0.00 O ATOM 97 CB LYS A 274 24.725 -26.156 -7.914 1.00 0.00 C ATOM 98 CG LYS A 274 25.877 -25.204 -8.240 1.00 0.00 C ATOM 99 CD LYS A 274 27.148 -26.013 -8.507 1.00 0.00 C ATOM 100 CE LYS A 274 27.566 -26.746 -7.231 1.00 0.00 C ATOM 101 NZ LYS A 274 29.030 -27.018 -7.272 1.00 0.00 N ATOM 0 H LYS A 274 23.947 -24.641 -5.993 1.00 0.00 H new ATOM 0 HA LYS A 274 23.262 -24.878 -8.846 1.00 0.00 H new ATOM 0 HB2 LYS A 274 24.896 -26.634 -6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 274 24.673 -26.950 -8.659 1.00 0.00 H new ATOM 0 HG2 LYS A 274 25.628 -24.600 -9.112 1.00 0.00 H new ATOM 0 HG3 LYS A 274 26.039 -24.515 -7.411 1.00 0.00 H new ATOM 0 HD2 LYS A 274 26.973 -26.729 -9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 274 27.949 -25.352 -8.838 1.00 0.00 H new ATOM 0 HE2 LYS A 274 27.321 -26.144 -6.356 1.00 0.00 H new ATOM 0 HE3 LYS A 274 27.014 -27.681 -7.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 29.315 -27.516 -6.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 29.250 -27.609 -8.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 29.548 -26.119 -7.341 1.00 0.00 H new ATOM 115 N VAL A 275 21.668 -26.834 -8.735 1.00 0.00 N ATOM 116 CA VAL A 275 20.546 -27.760 -8.633 1.00 0.00 C ATOM 117 C VAL A 275 19.365 -27.088 -7.939 1.00 0.00 C ATOM 118 O VAL A 275 18.307 -27.692 -7.764 1.00 0.00 O ATOM 119 CB VAL A 275 20.963 -29.006 -7.851 1.00 0.00 C ATOM 120 CG1 VAL A 275 20.056 -30.176 -8.235 1.00 0.00 C ATOM 121 CG2 VAL A 275 22.414 -29.354 -8.189 1.00 0.00 C ATOM 0 H VAL A 275 21.953 -26.615 -9.690 1.00 0.00 H new ATOM 0 HA VAL A 275 20.245 -28.052 -9.639 1.00 0.00 H new ATOM 0 HB VAL A 275 20.873 -28.813 -6.782 1.00 0.00 H new ATOM 0 HG11 VAL A 275 20.353 -31.065 -7.678 1.00 0.00 H new ATOM 0 HG12 VAL A 275 19.022 -29.928 -7.998 1.00 0.00 H new ATOM 0 HG13 VAL A 275 20.146 -30.371 -9.304 1.00 0.00 H new ATOM 0 HG21 VAL A 275 22.714 -30.242 -7.633 1.00 0.00 H new ATOM 0 HG22 VAL A 275 22.502 -29.548 -9.258 1.00 0.00 H new ATOM 0 HG23 VAL A 275 23.061 -28.520 -7.917 1.00 0.00 H new ATOM 131 N GLN A 276 19.553 -25.828 -7.557 1.00 0.00 N ATOM 132 CA GLN A 276 18.500 -25.070 -6.893 1.00 0.00 C ATOM 133 C GLN A 276 17.404 -24.703 -7.888 1.00 0.00 C ATOM 134 O GLN A 276 16.685 -23.721 -7.701 1.00 0.00 O ATOM 135 CB GLN A 276 19.074 -23.796 -6.270 1.00 0.00 C ATOM 136 CG GLN A 276 20.216 -24.159 -5.318 1.00 0.00 C ATOM 137 CD GLN A 276 19.733 -25.155 -4.269 1.00 0.00 C ATOM 138 OE1 GLN A 276 18.691 -24.946 -3.648 1.00 0.00 O ATOM 139 NE2 GLN A 276 20.430 -26.232 -4.034 1.00 0.00 N ATOM 0 H GLN A 276 20.422 -25.313 -7.696 1.00 0.00 H new ATOM 0 HA GLN A 276 18.074 -25.692 -6.106 1.00 0.00 H new ATOM 0 HB2 GLN A 276 19.437 -23.129 -7.052 1.00 0.00 H new ATOM 0 HB3 GLN A 276 18.294 -23.260 -5.730 1.00 0.00 H new ATOM 0 HG2 GLN A 276 21.046 -24.587 -5.881 1.00 0.00 H new ATOM 0 HG3 GLN A 276 20.592 -23.260 -4.830 1.00 0.00 H new ATOM 0 HE21 GLN A 276 21.293 -26.403 -4.550 1.00 0.00 H new ATOM 0 HE22 GLN A 276 20.112 -26.903 -3.335 1.00 0.00 H new ATOM 148 N ILE A 277 17.290 -25.493 -8.949 1.00 0.00 N ATOM 149 CA ILE A 277 16.287 -25.240 -9.975 1.00 0.00 C ATOM 150 C ILE A 277 14.972 -24.788 -9.352 1.00 0.00 C ATOM 151 O ILE A 277 14.188 -24.084 -9.987 1.00 0.00 O ATOM 152 CB ILE A 277 16.045 -26.509 -10.789 1.00 0.00 C ATOM 153 CG1 ILE A 277 17.299 -26.843 -11.600 1.00 0.00 C ATOM 154 CG2 ILE A 277 14.865 -26.286 -11.735 1.00 0.00 C ATOM 155 CD1 ILE A 277 17.124 -28.205 -12.275 1.00 0.00 C ATOM 0 H ILE A 277 17.876 -26.310 -9.121 1.00 0.00 H new ATOM 0 HA ILE A 277 16.660 -24.448 -10.624 1.00 0.00 H new ATOM 0 HB ILE A 277 15.820 -27.337 -10.117 1.00 0.00 H new ATOM 0 HG12 ILE A 277 17.475 -26.073 -12.351 1.00 0.00 H new ATOM 0 HG13 ILE A 277 18.173 -26.858 -10.949 1.00 0.00 H new ATOM 0 HG21 ILE A 277 14.690 -27.190 -12.318 1.00 0.00 H new ATOM 0 HG22 ILE A 277 13.973 -26.050 -11.155 1.00 0.00 H new ATOM 0 HG23 ILE A 277 15.090 -25.459 -12.408 1.00 0.00 H new ATOM 0 HD11 ILE A 277 18.017 -28.442 -12.853 1.00 0.00 H new ATOM 0 HD12 ILE A 277 16.969 -28.971 -11.515 1.00 0.00 H new ATOM 0 HD13 ILE A 277 16.260 -28.174 -12.939 1.00 0.00 H new ATOM 167 N ILE A 278 14.733 -25.193 -8.112 1.00 0.00 N ATOM 168 CA ILE A 278 13.504 -24.815 -7.432 1.00 0.00 C ATOM 169 C ILE A 278 13.304 -23.305 -7.509 1.00 0.00 C ATOM 170 O ILE A 278 12.182 -22.824 -7.662 1.00 0.00 O ATOM 171 CB ILE A 278 13.564 -25.253 -5.968 1.00 0.00 C ATOM 172 CG1 ILE A 278 13.748 -26.770 -5.898 1.00 0.00 C ATOM 173 CG2 ILE A 278 12.261 -24.867 -5.264 1.00 0.00 C ATOM 174 CD1 ILE A 278 13.942 -27.196 -4.442 1.00 0.00 C ATOM 0 H ILE A 278 15.365 -25.776 -7.563 1.00 0.00 H new ATOM 0 HA ILE A 278 12.665 -25.309 -7.921 1.00 0.00 H new ATOM 0 HB ILE A 278 14.403 -24.760 -5.476 1.00 0.00 H new ATOM 0 HG12 ILE A 278 12.878 -27.272 -6.322 1.00 0.00 H new ATOM 0 HG13 ILE A 278 14.610 -27.070 -6.493 1.00 0.00 H new ATOM 0 HG21 ILE A 278 12.305 -25.180 -4.221 1.00 0.00 H new ATOM 0 HG22 ILE A 278 12.127 -23.786 -5.314 1.00 0.00 H new ATOM 0 HG23 ILE A 278 11.422 -25.360 -5.756 1.00 0.00 H new ATOM 0 HD11 ILE A 278 14.073 -28.277 -4.394 1.00 0.00 H new ATOM 0 HD12 ILE A 278 14.825 -26.705 -4.034 1.00 0.00 H new ATOM 0 HD13 ILE A 278 13.066 -26.910 -3.859 1.00 0.00 H new ATOM 186 N ASN A 279 14.401 -22.562 -7.403 1.00 0.00 N ATOM 187 CA ASN A 279 14.336 -21.106 -7.466 1.00 0.00 C ATOM 188 C ASN A 279 14.287 -20.621 -8.916 1.00 0.00 C ATOM 189 O ASN A 279 14.218 -19.419 -9.175 1.00 0.00 O ATOM 190 CB ASN A 279 15.547 -20.497 -6.757 1.00 0.00 C ATOM 191 CG ASN A 279 15.589 -20.969 -5.308 1.00 0.00 C ATOM 192 OD1 ASN A 279 15.367 -22.227 -5.036 1.00 0.00 O flip ATOM 193 ND2 ASN A 279 15.829 -20.174 -4.400 1.00 0.00 N flip ATOM 0 H ASN A 279 15.339 -22.940 -7.274 1.00 0.00 H new ATOM 0 HA ASN A 279 13.423 -20.785 -6.965 1.00 0.00 H new ATOM 0 HB2 ASN A 279 16.464 -20.787 -7.270 1.00 0.00 H new ATOM 0 HB3 ASN A 279 15.492 -19.409 -6.793 1.00 0.00 H new ATOM 0 HD21 ASN A 279 16.002 -19.192 -4.614 1.00 0.00 H new ATOM 0 HD22 ASN A 279 15.855 -20.497 -3.433 1.00 0.00 H new ATOM 200 N LYS A 280 14.333 -21.560 -9.853 1.00 0.00 N ATOM 201 CA LYS A 280 14.303 -21.215 -11.273 1.00 0.00 C ATOM 202 C LYS A 280 13.089 -20.350 -11.606 1.00 0.00 C ATOM 203 O LYS A 280 13.152 -19.487 -12.482 1.00 0.00 O ATOM 204 CB LYS A 280 14.257 -22.493 -12.113 1.00 0.00 C ATOM 205 CG LYS A 280 14.288 -22.133 -13.600 1.00 0.00 C ATOM 206 CD LYS A 280 14.237 -23.413 -14.436 1.00 0.00 C ATOM 207 CE LYS A 280 12.896 -24.114 -14.214 1.00 0.00 C ATOM 208 NZ LYS A 280 12.560 -24.934 -15.413 1.00 0.00 N ATOM 0 H LYS A 280 14.391 -22.560 -9.660 1.00 0.00 H new ATOM 0 HA LYS A 280 15.205 -20.648 -11.502 1.00 0.00 H new ATOM 0 HB2 LYS A 280 15.104 -23.133 -11.866 1.00 0.00 H new ATOM 0 HB3 LYS A 280 13.353 -23.058 -11.884 1.00 0.00 H new ATOM 0 HG2 LYS A 280 13.443 -21.491 -13.847 1.00 0.00 H new ATOM 0 HG3 LYS A 280 15.193 -21.571 -13.830 1.00 0.00 H new ATOM 0 HD2 LYS A 280 14.365 -23.176 -15.492 1.00 0.00 H new ATOM 0 HD3 LYS A 280 15.056 -24.075 -14.157 1.00 0.00 H new ATOM 0 HE2 LYS A 280 12.947 -24.748 -13.329 1.00 0.00 H new ATOM 0 HE3 LYS A 280 12.114 -23.377 -14.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 11.648 -25.411 -15.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 12.495 -24.318 -16.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 13.302 -25.646 -15.566 1.00 0.00 H new ATOM 222 N LYS A 281 11.982 -20.598 -10.917 1.00 0.00 N ATOM 223 CA LYS A 281 10.755 -19.846 -11.160 1.00 0.00 C ATOM 224 C LYS A 281 10.980 -18.343 -11.005 1.00 0.00 C ATOM 225 O LYS A 281 10.342 -17.542 -11.687 1.00 0.00 O ATOM 226 CB LYS A 281 9.664 -20.303 -10.188 1.00 0.00 C ATOM 227 CG LYS A 281 9.152 -21.688 -10.598 1.00 0.00 C ATOM 228 CD LYS A 281 10.222 -22.743 -10.307 1.00 0.00 C ATOM 229 CE LYS A 281 9.583 -24.133 -10.305 1.00 0.00 C ATOM 230 NZ LYS A 281 8.378 -24.130 -11.180 1.00 0.00 N ATOM 0 H LYS A 281 11.907 -21.309 -10.190 1.00 0.00 H new ATOM 0 HA LYS A 281 10.442 -20.039 -12.186 1.00 0.00 H new ATOM 0 HB2 LYS A 281 10.059 -20.337 -9.173 1.00 0.00 H new ATOM 0 HB3 LYS A 281 8.842 -19.587 -10.186 1.00 0.00 H new ATOM 0 HG2 LYS A 281 8.238 -21.924 -10.053 1.00 0.00 H new ATOM 0 HG3 LYS A 281 8.901 -21.694 -11.659 1.00 0.00 H new ATOM 0 HD2 LYS A 281 11.009 -22.694 -11.059 1.00 0.00 H new ATOM 0 HD3 LYS A 281 10.690 -22.545 -9.343 1.00 0.00 H new ATOM 0 HE2 LYS A 281 10.300 -24.874 -10.658 1.00 0.00 H new ATOM 0 HE3 LYS A 281 9.307 -24.416 -9.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 8.114 -25.109 -11.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 7.590 -23.666 -10.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 8.587 -23.612 -12.057 1.00 0.00 H new ATOM 244 N LEU A 282 11.880 -17.963 -10.103 1.00 0.00 N ATOM 245 CA LEU A 282 12.160 -16.547 -9.878 1.00 0.00 C ATOM 246 C LEU A 282 12.722 -15.889 -11.137 1.00 0.00 C ATOM 247 O LEU A 282 12.411 -14.737 -11.434 1.00 0.00 O ATOM 248 CB LEU A 282 13.151 -16.382 -8.724 1.00 0.00 C ATOM 249 CG LEU A 282 12.422 -16.576 -7.391 1.00 0.00 C ATOM 250 CD1 LEU A 282 11.965 -18.030 -7.262 1.00 0.00 C ATOM 251 CD2 LEU A 282 13.371 -16.238 -6.238 1.00 0.00 C ATOM 0 H LEU A 282 12.421 -18.604 -9.523 1.00 0.00 H new ATOM 0 HA LEU A 282 11.221 -16.056 -9.623 1.00 0.00 H new ATOM 0 HB2 LEU A 282 13.958 -17.108 -8.818 1.00 0.00 H new ATOM 0 HB3 LEU A 282 13.606 -15.392 -8.761 1.00 0.00 H new ATOM 0 HG LEU A 282 11.553 -15.919 -7.355 1.00 0.00 H new ATOM 0 HD11 LEU A 282 11.447 -18.166 -6.313 1.00 0.00 H new ATOM 0 HD12 LEU A 282 11.290 -18.273 -8.082 1.00 0.00 H new ATOM 0 HD13 LEU A 282 12.833 -18.689 -7.299 1.00 0.00 H new ATOM 0 HD21 LEU A 282 12.854 -16.376 -5.289 1.00 0.00 H new ATOM 0 HD22 LEU A 282 14.239 -16.896 -6.277 1.00 0.00 H new ATOM 0 HD23 LEU A 282 13.697 -15.202 -6.327 1.00 0.00 H new ATOM 263 N ASP A 283 13.546 -16.629 -11.875 1.00 0.00 N ATOM 264 CA ASP A 283 14.140 -16.106 -13.106 1.00 0.00 C ATOM 265 C ASP A 283 13.538 -16.800 -14.324 1.00 0.00 C ATOM 266 O ASP A 283 12.966 -17.884 -14.212 1.00 0.00 O ATOM 267 CB ASP A 283 15.658 -16.311 -13.087 1.00 0.00 C ATOM 268 CG ASP A 283 16.288 -15.427 -12.016 1.00 0.00 C ATOM 269 OD1 ASP A 283 15.579 -14.604 -11.461 1.00 0.00 O ATOM 270 OD2 ASP A 283 17.472 -15.585 -11.765 1.00 0.00 O ATOM 0 H ASP A 283 13.817 -17.585 -11.646 1.00 0.00 H new ATOM 0 HA ASP A 283 13.925 -15.039 -13.168 1.00 0.00 H new ATOM 0 HB2 ASP A 283 15.890 -17.358 -12.890 1.00 0.00 H new ATOM 0 HB3 ASP A 283 16.078 -16.070 -14.063 1.00 0.00 H new ATOM 275 N LEU A 284 13.671 -16.170 -15.488 1.00 0.00 N ATOM 276 CA LEU A 284 13.133 -16.743 -16.718 1.00 0.00 C ATOM 277 C LEU A 284 14.197 -17.583 -17.421 1.00 0.00 C ATOM 278 O LEU A 284 15.392 -17.298 -17.324 1.00 0.00 O ATOM 279 CB LEU A 284 12.652 -15.634 -17.658 1.00 0.00 C ATOM 280 CG LEU A 284 11.595 -14.772 -16.960 1.00 0.00 C ATOM 281 CD1 LEU A 284 12.240 -13.960 -15.827 1.00 0.00 C ATOM 282 CD2 LEU A 284 10.972 -13.819 -17.988 1.00 0.00 C ATOM 0 H LEU A 284 14.141 -15.273 -15.605 1.00 0.00 H new ATOM 0 HA LEU A 284 12.288 -17.380 -16.458 1.00 0.00 H new ATOM 0 HB2 LEU A 284 13.495 -15.014 -17.962 1.00 0.00 H new ATOM 0 HB3 LEU A 284 12.234 -16.071 -18.565 1.00 0.00 H new ATOM 0 HG LEU A 284 10.824 -15.415 -16.535 1.00 0.00 H new ATOM 0 HD11 LEU A 284 11.480 -13.351 -15.338 1.00 0.00 H new ATOM 0 HD12 LEU A 284 12.684 -14.640 -15.100 1.00 0.00 H new ATOM 0 HD13 LEU A 284 13.014 -13.312 -16.239 1.00 0.00 H new ATOM 0 HD21 LEU A 284 10.218 -13.201 -17.501 1.00 0.00 H new ATOM 0 HD22 LEU A 284 11.748 -13.180 -18.409 1.00 0.00 H new ATOM 0 HD23 LEU A 284 10.506 -14.398 -18.786 1.00 0.00 H new ATOM 294 N SER A 285 13.758 -18.625 -18.119 1.00 0.00 N ATOM 295 CA SER A 285 14.678 -19.512 -18.825 1.00 0.00 C ATOM 296 C SER A 285 15.540 -18.739 -19.824 1.00 0.00 C ATOM 297 O SER A 285 15.349 -18.851 -21.034 1.00 0.00 O ATOM 298 CB SER A 285 13.890 -20.596 -19.562 1.00 0.00 C ATOM 299 OG SER A 285 13.627 -21.672 -18.673 1.00 0.00 O ATOM 0 H SER A 285 12.774 -18.876 -18.211 1.00 0.00 H new ATOM 0 HA SER A 285 15.337 -19.970 -18.087 1.00 0.00 H new ATOM 0 HB2 SER A 285 12.954 -20.186 -19.942 1.00 0.00 H new ATOM 0 HB3 SER A 285 14.456 -20.951 -20.423 1.00 0.00 H new ATOM 0 HG SER A 285 13.121 -22.368 -19.142 1.00 0.00 H new ATOM 305 N ASN A 286 16.494 -17.971 -19.304 1.00 0.00 N ATOM 306 CA ASN A 286 17.402 -17.189 -20.145 1.00 0.00 C ATOM 307 C ASN A 286 16.653 -16.159 -20.992 1.00 0.00 C ATOM 308 O ASN A 286 17.198 -15.103 -21.312 1.00 0.00 O ATOM 309 CB ASN A 286 18.205 -18.116 -21.061 1.00 0.00 C ATOM 310 CG ASN A 286 19.060 -19.061 -20.224 1.00 0.00 C ATOM 311 OD1 ASN A 286 19.038 -20.273 -20.438 1.00 0.00 O ATOM 312 ND2 ASN A 286 19.816 -18.574 -19.279 1.00 0.00 N ATOM 0 H ASN A 286 16.660 -17.872 -18.302 1.00 0.00 H new ATOM 0 HA ASN A 286 18.077 -16.651 -19.479 1.00 0.00 H new ATOM 0 HB2 ASN A 286 17.529 -18.689 -21.695 1.00 0.00 H new ATOM 0 HB3 ASN A 286 18.840 -17.527 -21.722 1.00 0.00 H new ATOM 0 HD21 ASN A 286 20.392 -19.198 -18.714 1.00 0.00 H new ATOM 0 HD22 ASN A 286 19.831 -17.569 -19.105 1.00 0.00 H new ATOM 319 N VAL A 287 15.407 -16.456 -21.352 1.00 0.00 N ATOM 320 CA VAL A 287 14.625 -15.526 -22.154 1.00 0.00 C ATOM 321 C VAL A 287 14.495 -14.198 -21.419 1.00 0.00 C ATOM 322 O VAL A 287 13.990 -13.217 -21.966 1.00 0.00 O ATOM 323 CB VAL A 287 13.239 -16.104 -22.444 1.00 0.00 C ATOM 324 CG1 VAL A 287 13.383 -17.460 -23.136 1.00 0.00 C ATOM 325 CG2 VAL A 287 12.478 -16.283 -21.132 1.00 0.00 C ATOM 0 H VAL A 287 14.925 -17.320 -21.105 1.00 0.00 H new ATOM 0 HA VAL A 287 15.136 -15.363 -23.103 1.00 0.00 H new ATOM 0 HB VAL A 287 12.692 -15.421 -23.094 1.00 0.00 H new ATOM 0 HG11 VAL A 287 12.394 -17.870 -23.342 1.00 0.00 H new ATOM 0 HG12 VAL A 287 13.926 -17.335 -24.073 1.00 0.00 H new ATOM 0 HG13 VAL A 287 13.931 -18.143 -22.487 1.00 0.00 H new ATOM 0 HG21 VAL A 287 11.490 -16.695 -21.338 1.00 0.00 H new ATOM 0 HG22 VAL A 287 13.027 -16.965 -20.483 1.00 0.00 H new ATOM 0 HG23 VAL A 287 12.373 -15.317 -20.638 1.00 0.00 H new