USER MOD reduce.3.24.130724 H: found=0, std=0, add=161, rem=0, adj=7 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 HE2:sc= -0.221 K(o=-0.23,f=-1.3) USER MOD Set 1.2: A 276 GLN :FLIP amide:sc= -0.012 F(o=-1.5!,f=-0.23) USER MOD Single : A 269 GLN :FLIP amide:sc= -0.486 F(o=-1.7,f=-0.49) USER MOD Single : A 274 LYS NZ :NH3+ -166:sc=-0.00453 (180deg=-0.205) USER MOD Single : A 279 ASN : amide:sc= -1 K(o=-1,f=-3.1!) USER MOD Single : A 280 LYS NZ :NH3+ -103:sc= -1.89 (180deg=-4.49!) USER MOD Single : A 281 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 285 SER OG : rot 41:sc= 0.0557 USER MOD Single : A 286 ASN :FLIP amide:sc= -0.853 F(o=-3.1!,f=-0.85) USER MOD ----------------------------------------------------------------- ATOM 23 N HIS A 268 25.668 3.552 -12.516 1.00 0.00 N ATOM 24 CA HIS A 268 26.127 3.355 -13.889 1.00 0.00 C ATOM 25 C HIS A 268 27.278 2.355 -13.935 1.00 0.00 C ATOM 26 O HIS A 268 27.944 2.111 -12.929 1.00 0.00 O ATOM 27 CB HIS A 268 26.584 4.690 -14.479 1.00 0.00 C ATOM 28 CG HIS A 268 27.719 5.238 -13.659 1.00 0.00 C ATOM 29 ND1 HIS A 268 27.518 5.826 -12.420 1.00 0.00 N ATOM 30 CD2 HIS A 268 29.072 5.294 -13.886 1.00 0.00 C ATOM 31 CE1 HIS A 268 28.720 6.209 -11.953 1.00 0.00 C ATOM 32 NE2 HIS A 268 29.702 5.907 -12.807 1.00 0.00 N ATOM 0 HA HIS A 268 25.298 2.960 -14.476 1.00 0.00 H new ATOM 0 HB2 HIS A 268 26.901 4.553 -15.513 1.00 0.00 H new ATOM 0 HB3 HIS A 268 25.755 5.398 -14.491 1.00 0.00 H new ATOM 0 HD1 HIS A 268 26.622 5.946 -11.948 1.00 0.00 H new ATOM 0 HD2 HIS A 268 29.571 4.919 -14.767 1.00 0.00 H new ATOM 0 HE1 HIS A 268 28.873 6.701 -11.004 1.00 0.00 H new ATOM 41 N GLN A 269 27.504 1.781 -15.112 1.00 0.00 N ATOM 42 CA GLN A 269 28.575 0.807 -15.290 1.00 0.00 C ATOM 43 C GLN A 269 29.908 1.534 -15.516 1.00 0.00 C ATOM 44 O GLN A 269 29.954 2.532 -16.233 1.00 0.00 O ATOM 45 CB GLN A 269 28.225 -0.105 -16.484 1.00 0.00 C ATOM 46 CG GLN A 269 29.488 -0.601 -17.202 1.00 0.00 C ATOM 47 CD GLN A 269 29.190 -1.909 -17.926 1.00 0.00 C ATOM 48 OE1 GLN A 269 29.004 -2.998 -17.232 1.00 0.00 O flip ATOM 49 NE2 GLN A 269 29.126 -1.940 -19.156 1.00 0.00 N flip ATOM 0 H GLN A 269 26.962 1.973 -15.954 1.00 0.00 H new ATOM 0 HA GLN A 269 28.679 0.192 -14.396 1.00 0.00 H new ATOM 0 HB2 GLN A 269 27.645 -0.959 -16.133 1.00 0.00 H new ATOM 0 HB3 GLN A 269 27.596 0.440 -17.187 1.00 0.00 H new ATOM 0 HG2 GLN A 269 29.831 0.150 -17.914 1.00 0.00 H new ATOM 0 HG3 GLN A 269 30.293 -0.748 -16.482 1.00 0.00 H new ATOM 0 HE21 GLN A 269 29.272 -1.087 -19.696 1.00 0.00 H new ATOM 0 HE22 GLN A 269 28.927 -2.819 -19.634 1.00 0.00 H new ATOM 58 N PRO A 270 30.986 1.067 -14.920 1.00 0.00 N ATOM 59 CA PRO A 270 32.310 1.749 -15.102 1.00 0.00 C ATOM 60 C PRO A 270 32.746 1.786 -16.565 1.00 0.00 C ATOM 61 O PRO A 270 33.503 2.665 -16.973 1.00 0.00 O ATOM 62 CB PRO A 270 33.292 0.919 -14.256 1.00 0.00 C ATOM 63 CG PRO A 270 32.603 -0.376 -14.004 1.00 0.00 C ATOM 64 CD PRO A 270 31.115 -0.058 -13.970 1.00 0.00 C ATOM 0 HA PRO A 270 32.266 2.793 -14.793 1.00 0.00 H new ATOM 0 HB2 PRO A 270 34.233 0.767 -14.784 1.00 0.00 H new ATOM 0 HB3 PRO A 270 33.530 1.426 -13.321 1.00 0.00 H new ATOM 0 HG2 PRO A 270 32.830 -1.098 -14.788 1.00 0.00 H new ATOM 0 HG3 PRO A 270 32.930 -0.815 -13.062 1.00 0.00 H new ATOM 0 HD2 PRO A 270 30.514 -0.914 -14.276 1.00 0.00 H new ATOM 0 HD3 PRO A 270 30.786 0.221 -12.969 1.00 0.00 H new ATOM 72 N GLY A 271 32.262 0.829 -17.348 1.00 0.00 N ATOM 73 CA GLY A 271 32.610 0.767 -18.763 1.00 0.00 C ATOM 74 C GLY A 271 34.107 0.976 -18.963 1.00 0.00 C ATOM 75 O GLY A 271 34.876 0.017 -19.024 1.00 0.00 O ATOM 0 H GLY A 271 31.633 0.091 -17.031 1.00 0.00 H new ATOM 0 HA2 GLY A 271 32.315 -0.199 -19.172 1.00 0.00 H new ATOM 0 HA3 GLY A 271 32.056 1.528 -19.312 1.00 0.00 H new ATOM 79 N GLY A 272 34.512 2.238 -19.062 1.00 0.00 N ATOM 80 CA GLY A 272 35.920 2.568 -19.254 1.00 0.00 C ATOM 81 C GLY A 272 36.782 1.961 -18.153 1.00 0.00 C ATOM 82 O GLY A 272 37.931 1.586 -18.385 1.00 0.00 O ATOM 0 H GLY A 272 33.890 3.045 -19.013 1.00 0.00 H new ATOM 0 HA2 GLY A 272 36.253 2.201 -20.225 1.00 0.00 H new ATOM 0 HA3 GLY A 272 36.045 3.651 -19.262 1.00 0.00 H new ATOM 86 N GLY A 273 36.220 1.867 -16.950 1.00 0.00 N ATOM 87 CA GLY A 273 36.946 1.304 -15.814 1.00 0.00 C ATOM 88 C GLY A 273 37.123 2.342 -14.710 1.00 0.00 C ATOM 89 O GLY A 273 38.208 2.895 -14.532 1.00 0.00 O ATOM 0 H GLY A 273 35.270 2.171 -16.737 1.00 0.00 H new ATOM 0 HA2 GLY A 273 36.406 0.441 -15.424 1.00 0.00 H new ATOM 0 HA3 GLY A 273 37.922 0.947 -16.142 1.00 0.00 H new ATOM 93 N LYS A 274 36.048 2.598 -13.969 1.00 0.00 N ATOM 94 CA LYS A 274 36.092 3.569 -12.881 1.00 0.00 C ATOM 95 C LYS A 274 36.476 2.885 -11.571 1.00 0.00 C ATOM 96 O LYS A 274 36.270 3.434 -10.489 1.00 0.00 O ATOM 97 CB LYS A 274 34.733 4.252 -12.728 1.00 0.00 C ATOM 98 CG LYS A 274 34.405 5.033 -14.003 1.00 0.00 C ATOM 99 CD LYS A 274 33.099 5.806 -13.809 1.00 0.00 C ATOM 100 CE LYS A 274 32.701 6.477 -15.125 1.00 0.00 C ATOM 101 NZ LYS A 274 33.692 7.538 -15.463 1.00 0.00 N ATOM 0 H LYS A 274 35.142 2.149 -14.101 1.00 0.00 H new ATOM 0 HA LYS A 274 36.844 4.320 -13.120 1.00 0.00 H new ATOM 0 HB2 LYS A 274 33.960 3.508 -12.536 1.00 0.00 H new ATOM 0 HB3 LYS A 274 34.747 4.925 -11.871 1.00 0.00 H new ATOM 0 HG2 LYS A 274 35.216 5.722 -14.238 1.00 0.00 H new ATOM 0 HG3 LYS A 274 34.313 4.349 -14.847 1.00 0.00 H new ATOM 0 HD2 LYS A 274 32.310 5.130 -13.480 1.00 0.00 H new ATOM 0 HD3 LYS A 274 33.221 6.557 -13.028 1.00 0.00 H new ATOM 0 HE2 LYS A 274 32.658 5.737 -15.924 1.00 0.00 H new ATOM 0 HE3 LYS A 274 31.705 6.910 -15.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 33.307 8.146 -16.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 33.888 8.112 -14.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 34.574 7.097 -15.794 1.00 0.00 H new ATOM 115 N VAL A 275 37.030 1.680 -11.682 1.00 0.00 N ATOM 116 CA VAL A 275 37.443 0.915 -10.508 1.00 0.00 C ATOM 117 C VAL A 275 36.227 0.365 -9.765 1.00 0.00 C ATOM 118 O VAL A 275 36.362 -0.268 -8.718 1.00 0.00 O ATOM 119 CB VAL A 275 38.271 1.790 -9.561 1.00 0.00 C ATOM 120 CG1 VAL A 275 39.113 0.894 -8.650 1.00 0.00 C ATOM 121 CG2 VAL A 275 39.195 2.705 -10.378 1.00 0.00 C ATOM 0 H VAL A 275 37.203 1.213 -12.572 1.00 0.00 H new ATOM 0 HA VAL A 275 38.055 0.080 -10.850 1.00 0.00 H new ATOM 0 HB VAL A 275 37.603 2.402 -8.955 1.00 0.00 H new ATOM 0 HG11 VAL A 275 39.703 1.514 -7.975 1.00 0.00 H new ATOM 0 HG12 VAL A 275 38.456 0.247 -8.068 1.00 0.00 H new ATOM 0 HG13 VAL A 275 39.780 0.282 -9.257 1.00 0.00 H new ATOM 0 HG21 VAL A 275 39.783 3.326 -9.702 1.00 0.00 H new ATOM 0 HG22 VAL A 275 39.865 2.097 -10.986 1.00 0.00 H new ATOM 0 HG23 VAL A 275 38.595 3.343 -11.027 1.00 0.00 H new ATOM 131 N GLN A 276 35.044 0.602 -10.319 1.00 0.00 N ATOM 132 CA GLN A 276 33.814 0.116 -9.705 1.00 0.00 C ATOM 133 C GLN A 276 33.674 -1.390 -9.910 1.00 0.00 C ATOM 134 O GLN A 276 32.566 -1.910 -10.035 1.00 0.00 O ATOM 135 CB GLN A 276 32.602 0.839 -10.293 1.00 0.00 C ATOM 136 CG GLN A 276 32.689 2.329 -9.960 1.00 0.00 C ATOM 137 CD GLN A 276 31.439 3.048 -10.451 1.00 0.00 C ATOM 138 OE1 GLN A 276 30.516 2.374 -11.081 1.00 0.00 O flip ATOM 139 NE2 GLN A 276 31.298 4.255 -10.254 1.00 0.00 N flip ATOM 0 H GLN A 276 34.910 1.123 -11.185 1.00 0.00 H new ATOM 0 HA GLN A 276 33.861 0.321 -8.636 1.00 0.00 H new ATOM 0 HB2 GLN A 276 32.569 0.698 -11.373 1.00 0.00 H new ATOM 0 HB3 GLN A 276 31.682 0.418 -9.888 1.00 0.00 H new ATOM 0 HG2 GLN A 276 32.796 2.464 -8.884 1.00 0.00 H new ATOM 0 HG3 GLN A 276 33.574 2.763 -10.425 1.00 0.00 H new ATOM 0 HE21 GLN A 276 32.021 4.779 -9.761 1.00 0.00 H new ATOM 0 HE22 GLN A 276 30.458 4.731 -10.583 1.00 0.00 H new ATOM 148 N ILE A 277 34.812 -2.082 -9.944 1.00 0.00 N ATOM 149 CA ILE A 277 34.825 -3.532 -10.136 1.00 0.00 C ATOM 150 C ILE A 277 33.840 -4.233 -9.199 1.00 0.00 C ATOM 151 O ILE A 277 33.700 -5.456 -9.239 1.00 0.00 O ATOM 152 CB ILE A 277 36.241 -4.072 -9.905 1.00 0.00 C ATOM 153 CG1 ILE A 277 36.612 -3.958 -8.422 1.00 0.00 C ATOM 154 CG2 ILE A 277 37.236 -3.263 -10.739 1.00 0.00 C ATOM 155 CD1 ILE A 277 38.028 -4.496 -8.208 1.00 0.00 C ATOM 0 H ILE A 277 35.736 -1.663 -9.841 1.00 0.00 H new ATOM 0 HA ILE A 277 34.515 -3.739 -11.160 1.00 0.00 H new ATOM 0 HB ILE A 277 36.275 -5.120 -10.203 1.00 0.00 H new ATOM 0 HG12 ILE A 277 36.554 -2.918 -8.101 1.00 0.00 H new ATOM 0 HG13 ILE A 277 35.902 -4.519 -7.814 1.00 0.00 H new ATOM 0 HG21 ILE A 277 38.243 -3.646 -10.576 1.00 0.00 H new ATOM 0 HG22 ILE A 277 36.981 -3.351 -11.795 1.00 0.00 H new ATOM 0 HG23 ILE A 277 37.193 -2.215 -10.441 1.00 0.00 H new ATOM 0 HD11 ILE A 277 38.292 -4.415 -7.154 1.00 0.00 H new ATOM 0 HD12 ILE A 277 38.070 -5.541 -8.514 1.00 0.00 H new ATOM 0 HD13 ILE A 277 38.732 -3.915 -8.804 1.00 0.00 H new ATOM 167 N ILE A 278 33.164 -3.456 -8.358 1.00 0.00 N ATOM 168 CA ILE A 278 32.196 -4.010 -7.416 1.00 0.00 C ATOM 169 C ILE A 278 31.314 -5.058 -8.096 1.00 0.00 C ATOM 170 O ILE A 278 30.592 -5.788 -7.420 1.00 0.00 O ATOM 171 CB ILE A 278 31.314 -2.885 -6.869 1.00 0.00 C ATOM 172 CG1 ILE A 278 32.194 -1.723 -6.398 1.00 0.00 C ATOM 173 CG2 ILE A 278 30.489 -3.409 -5.693 1.00 0.00 C ATOM 174 CD1 ILE A 278 33.335 -2.257 -5.529 1.00 0.00 C ATOM 0 H ILE A 278 33.268 -2.443 -8.309 1.00 0.00 H new ATOM 0 HA ILE A 278 32.741 -4.487 -6.601 1.00 0.00 H new ATOM 0 HB ILE A 278 30.645 -2.536 -7.656 1.00 0.00 H new ATOM 0 HG12 ILE A 278 32.599 -1.189 -7.258 1.00 0.00 H new ATOM 0 HG13 ILE A 278 31.597 -1.009 -5.832 1.00 0.00 H new ATOM 0 HG21 ILE A 278 29.861 -2.608 -5.304 1.00 0.00 H new ATOM 0 HG22 ILE A 278 29.859 -4.233 -6.029 1.00 0.00 H new ATOM 0 HG23 ILE A 278 31.158 -3.760 -4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 278 33.958 -1.427 -5.196 1.00 0.00 H new ATOM 0 HD12 ILE A 278 32.922 -2.771 -4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 278 33.939 -2.954 -6.110 1.00 0.00 H new ATOM 186 N ASN A 279 31.388 -5.110 -9.430 1.00 0.00 N ATOM 187 CA ASN A 279 30.609 -6.057 -10.241 1.00 0.00 C ATOM 188 C ASN A 279 29.400 -5.363 -10.860 1.00 0.00 C ATOM 189 O ASN A 279 28.375 -5.991 -11.125 1.00 0.00 O ATOM 190 CB ASN A 279 30.138 -7.255 -9.411 1.00 0.00 C ATOM 191 CG ASN A 279 29.731 -8.398 -10.336 1.00 0.00 C ATOM 192 OD1 ASN A 279 28.546 -8.703 -10.463 1.00 0.00 O ATOM 193 ND2 ASN A 279 30.650 -9.050 -10.995 1.00 0.00 N ATOM 0 H ASN A 279 31.990 -4.497 -9.980 1.00 0.00 H new ATOM 0 HA ASN A 279 31.265 -6.421 -11.032 1.00 0.00 H new ATOM 0 HB2 ASN A 279 30.935 -7.582 -8.743 1.00 0.00 H new ATOM 0 HB3 ASN A 279 29.295 -6.965 -8.784 1.00 0.00 H new ATOM 0 HD21 ASN A 279 30.386 -9.814 -11.617 1.00 0.00 H new ATOM 0 HD22 ASN A 279 31.632 -8.795 -10.888 1.00 0.00 H new ATOM 200 N LYS A 280 29.537 -4.063 -11.097 1.00 0.00 N ATOM 201 CA LYS A 280 28.464 -3.281 -11.700 1.00 0.00 C ATOM 202 C LYS A 280 28.071 -3.873 -13.051 1.00 0.00 C ATOM 203 O LYS A 280 27.052 -3.498 -13.630 1.00 0.00 O ATOM 204 CB LYS A 280 28.910 -1.818 -11.866 1.00 0.00 C ATOM 205 CG LYS A 280 28.358 -0.966 -10.714 1.00 0.00 C ATOM 206 CD LYS A 280 29.001 -1.403 -9.393 1.00 0.00 C ATOM 207 CE LYS A 280 28.039 -1.121 -8.237 1.00 0.00 C ATOM 208 NZ LYS A 280 28.815 -0.936 -6.978 1.00 0.00 N ATOM 0 H LYS A 280 30.379 -3.529 -10.881 1.00 0.00 H new ATOM 0 HA LYS A 280 27.594 -3.311 -11.044 1.00 0.00 H new ATOM 0 HB2 LYS A 280 29.998 -1.761 -11.882 1.00 0.00 H new ATOM 0 HB3 LYS A 280 28.556 -1.427 -12.820 1.00 0.00 H new ATOM 0 HG2 LYS A 280 28.564 0.088 -10.898 1.00 0.00 H new ATOM 0 HG3 LYS A 280 27.275 -1.074 -10.656 1.00 0.00 H new ATOM 0 HD2 LYS A 280 29.242 -2.465 -9.428 1.00 0.00 H new ATOM 0 HD3 LYS A 280 29.938 -0.868 -9.238 1.00 0.00 H new ATOM 0 HE2 LYS A 280 27.451 -0.228 -8.449 1.00 0.00 H new ATOM 0 HE3 LYS A 280 27.336 -1.946 -8.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 28.745 -1.796 -6.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 29.813 -0.754 -7.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 28.429 -0.129 -6.448 1.00 0.00 H new ATOM 222 N LYS A 281 28.889 -4.792 -13.551 1.00 0.00 N ATOM 223 CA LYS A 281 28.617 -5.417 -14.838 1.00 0.00 C ATOM 224 C LYS A 281 27.167 -5.888 -14.894 1.00 0.00 C ATOM 225 O LYS A 281 26.552 -5.902 -15.960 1.00 0.00 O ATOM 226 CB LYS A 281 29.550 -6.614 -15.046 1.00 0.00 C ATOM 227 CG LYS A 281 31.010 -6.175 -14.893 1.00 0.00 C ATOM 228 CD LYS A 281 31.388 -5.205 -16.015 1.00 0.00 C ATOM 229 CE LYS A 281 32.912 -5.101 -16.101 1.00 0.00 C ATOM 230 NZ LYS A 281 33.284 -3.995 -17.029 1.00 0.00 N ATOM 0 H LYS A 281 29.738 -5.118 -13.089 1.00 0.00 H new ATOM 0 HA LYS A 281 28.788 -4.684 -15.626 1.00 0.00 H new ATOM 0 HB2 LYS A 281 29.319 -7.395 -14.322 1.00 0.00 H new ATOM 0 HB3 LYS A 281 29.392 -7.041 -16.037 1.00 0.00 H new ATOM 0 HG2 LYS A 281 31.154 -5.697 -13.924 1.00 0.00 H new ATOM 0 HG3 LYS A 281 31.664 -7.046 -14.919 1.00 0.00 H new ATOM 0 HD2 LYS A 281 30.982 -5.553 -16.965 1.00 0.00 H new ATOM 0 HD3 LYS A 281 30.955 -4.223 -15.824 1.00 0.00 H new ATOM 0 HE2 LYS A 281 33.331 -4.916 -15.112 1.00 0.00 H new ATOM 0 HE3 LYS A 281 33.332 -6.043 -16.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 34.320 -3.924 -17.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 32.896 -4.190 -17.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 32.895 -3.098 -16.674 1.00 0.00 H new ATOM 244 N LEU A 282 26.623 -6.260 -13.740 1.00 0.00 N ATOM 245 CA LEU A 282 25.238 -6.712 -13.677 1.00 0.00 C ATOM 246 C LEU A 282 24.302 -5.586 -14.098 1.00 0.00 C ATOM 247 O LEU A 282 23.221 -5.827 -14.634 1.00 0.00 O ATOM 248 CB LEU A 282 24.894 -7.160 -12.254 1.00 0.00 C ATOM 249 CG LEU A 282 25.864 -8.256 -11.807 1.00 0.00 C ATOM 250 CD1 LEU A 282 25.472 -8.743 -10.410 1.00 0.00 C ATOM 251 CD2 LEU A 282 25.800 -9.429 -12.789 1.00 0.00 C ATOM 0 H LEU A 282 27.113 -6.258 -12.845 1.00 0.00 H new ATOM 0 HA LEU A 282 25.115 -7.555 -14.357 1.00 0.00 H new ATOM 0 HB2 LEU A 282 24.950 -6.311 -11.572 1.00 0.00 H new ATOM 0 HB3 LEU A 282 23.870 -7.531 -12.217 1.00 0.00 H new ATOM 0 HG LEU A 282 26.878 -7.856 -11.785 1.00 0.00 H new ATOM 0 HD11 LEU A 282 26.162 -9.524 -10.090 1.00 0.00 H new ATOM 0 HD12 LEU A 282 25.516 -7.910 -9.709 1.00 0.00 H new ATOM 0 HD13 LEU A 282 24.458 -9.143 -10.435 1.00 0.00 H new ATOM 0 HD21 LEU A 282 26.491 -10.209 -12.470 1.00 0.00 H new ATOM 0 HD22 LEU A 282 24.786 -9.829 -12.812 1.00 0.00 H new ATOM 0 HD23 LEU A 282 26.077 -9.085 -13.786 1.00 0.00 H new ATOM 263 N ASP A 283 24.731 -4.353 -13.847 1.00 0.00 N ATOM 264 CA ASP A 283 23.934 -3.184 -14.197 1.00 0.00 C ATOM 265 C ASP A 283 24.082 -2.854 -15.679 1.00 0.00 C ATOM 266 O ASP A 283 25.117 -3.131 -16.286 1.00 0.00 O ATOM 267 CB ASP A 283 24.377 -1.982 -13.360 1.00 0.00 C ATOM 268 CG ASP A 283 24.032 -2.216 -11.893 1.00 0.00 C ATOM 269 OD1 ASP A 283 23.281 -3.138 -11.621 1.00 0.00 O ATOM 270 OD2 ASP A 283 24.524 -1.468 -11.064 1.00 0.00 O ATOM 0 H ASP A 283 25.624 -4.138 -13.404 1.00 0.00 H new ATOM 0 HA ASP A 283 22.887 -3.408 -13.990 1.00 0.00 H new ATOM 0 HB2 ASP A 283 25.450 -1.827 -13.470 1.00 0.00 H new ATOM 0 HB3 ASP A 283 23.886 -1.077 -13.718 1.00 0.00 H new ATOM 275 N LEU A 284 23.043 -2.256 -16.254 1.00 0.00 N ATOM 276 CA LEU A 284 23.062 -1.884 -17.656 1.00 0.00 C ATOM 277 C LEU A 284 23.424 -0.425 -17.803 1.00 0.00 C ATOM 278 O LEU A 284 23.298 0.354 -16.858 1.00 0.00 O ATOM 279 CB LEU A 284 21.692 -2.105 -18.283 1.00 0.00 C ATOM 280 CG LEU A 284 21.261 -3.550 -18.088 1.00 0.00 C ATOM 281 CD1 LEU A 284 19.883 -3.739 -18.720 1.00 0.00 C ATOM 282 CD2 LEU A 284 22.274 -4.469 -18.773 1.00 0.00 C ATOM 0 H LEU A 284 22.179 -2.020 -15.766 1.00 0.00 H new ATOM 0 HA LEU A 284 23.803 -2.505 -18.159 1.00 0.00 H new ATOM 0 HB2 LEU A 284 20.962 -1.434 -17.829 1.00 0.00 H new ATOM 0 HB3 LEU A 284 21.726 -1.867 -19.346 1.00 0.00 H new ATOM 0 HG LEU A 284 21.214 -3.792 -17.026 1.00 0.00 H new ATOM 0 HD11 LEU A 284 19.561 -4.772 -18.588 1.00 0.00 H new ATOM 0 HD12 LEU A 284 19.168 -3.071 -18.240 1.00 0.00 H new ATOM 0 HD13 LEU A 284 19.936 -3.509 -19.784 1.00 0.00 H new ATOM 0 HD21 LEU A 284 21.972 -5.508 -18.638 1.00 0.00 H new ATOM 0 HD22 LEU A 284 22.313 -4.238 -19.838 1.00 0.00 H new ATOM 0 HD23 LEU A 284 23.259 -4.317 -18.332 1.00 0.00 H new ATOM 294 N SER A 285 23.847 -0.046 -18.995 1.00 0.00 N ATOM 295 CA SER A 285 24.183 1.337 -19.239 1.00 0.00 C ATOM 296 C SER A 285 23.020 2.206 -18.784 1.00 0.00 C ATOM 297 O SER A 285 22.045 1.707 -18.220 1.00 0.00 O ATOM 298 CB SER A 285 24.454 1.565 -20.727 1.00 0.00 C ATOM 299 OG SER A 285 24.927 2.890 -20.920 1.00 0.00 O ATOM 0 H SER A 285 23.964 -0.668 -19.795 1.00 0.00 H new ATOM 0 HA SER A 285 25.084 1.598 -18.684 1.00 0.00 H new ATOM 0 HB2 SER A 285 25.191 0.847 -21.088 1.00 0.00 H new ATOM 0 HB3 SER A 285 23.543 1.404 -21.303 1.00 0.00 H new ATOM 0 HG SER A 285 25.555 3.121 -20.204 1.00 0.00 H new ATOM 305 N ASN A 286 23.125 3.496 -19.022 1.00 0.00 N ATOM 306 CA ASN A 286 22.072 4.421 -18.624 1.00 0.00 C ATOM 307 C ASN A 286 20.697 3.859 -18.976 1.00 0.00 C ATOM 308 O ASN A 286 19.675 4.367 -18.517 1.00 0.00 O ATOM 309 CB ASN A 286 22.270 5.769 -19.322 1.00 0.00 C ATOM 310 CG ASN A 286 21.345 6.813 -18.707 1.00 0.00 C ATOM 311 OD1 ASN A 286 20.652 6.511 -17.643 1.00 0.00 O flip ATOM 312 ND2 ASN A 286 21.252 7.934 -19.208 1.00 0.00 N flip ATOM 0 H ASN A 286 23.922 3.931 -19.486 1.00 0.00 H new ATOM 0 HA ASN A 286 22.127 4.559 -17.544 1.00 0.00 H new ATOM 0 HB2 ASN A 286 23.308 6.089 -19.227 1.00 0.00 H new ATOM 0 HB3 ASN A 286 22.064 5.670 -20.388 1.00 0.00 H new ATOM 0 HD21 ASN A 286 21.795 8.168 -20.039 1.00 0.00 H new ATOM 0 HD22 ASN A 286 20.632 8.629 -18.791 1.00 0.00 H new ATOM 319 N VAL A 287 20.677 2.804 -19.788 1.00 0.00 N ATOM 320 CA VAL A 287 19.417 2.187 -20.182 1.00 0.00 C ATOM 321 C VAL A 287 18.684 1.655 -18.956 1.00 0.00 C ATOM 322 O VAL A 287 17.456 1.561 -18.944 1.00 0.00 O ATOM 323 CB VAL A 287 19.675 1.046 -21.168 1.00 0.00 C ATOM 324 CG1 VAL A 287 20.241 -0.159 -20.418 1.00 0.00 C ATOM 325 CG2 VAL A 287 18.360 0.654 -21.848 1.00 0.00 C ATOM 0 H VAL A 287 21.509 2.364 -20.181 1.00 0.00 H new ATOM 0 HA VAL A 287 18.796 2.941 -20.665 1.00 0.00 H new ATOM 0 HB VAL A 287 20.392 1.372 -21.922 1.00 0.00 H new ATOM 0 HG11 VAL A 287 20.425 -0.972 -21.121 1.00 0.00 H new ATOM 0 HG12 VAL A 287 21.177 0.120 -19.934 1.00 0.00 H new ATOM 0 HG13 VAL A 287 19.526 -0.487 -19.663 1.00 0.00 H new ATOM 0 HG21 VAL A 287 18.542 -0.159 -22.551 1.00 0.00 H new ATOM 0 HG22 VAL A 287 17.644 0.328 -21.094 1.00 0.00 H new ATOM 0 HG23 VAL A 287 17.957 1.513 -22.384 1.00 0.00 H new