USER MOD reduce.3.24.130724 H: found=0, std=0, add=161, rem=0, adj=1 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= -1.44! K(o=-1.6!,f=-0.78) USER MOD Set 1.2: A 285 SER OG : rot 180:sc= -0.16 USER MOD Single : A 268 HIS : no HD1:sc= -0.718 X(o=-0.72,f=-0.98) USER MOD Single : A 274 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 276 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 279 ASN : amide:sc= -9.35! K(o=-9.3!,f=-1.7) 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 286 ASN : amide:sc= -6.59! C(o=-6.6!,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 23 N HIS A 268 3.083 -11.479 -37.357 1.00 0.00 N ATOM 24 CA HIS A 268 4.144 -10.646 -37.908 1.00 0.00 C ATOM 25 C HIS A 268 3.694 -9.191 -37.966 1.00 0.00 C ATOM 26 O HIS A 268 2.507 -8.904 -38.120 1.00 0.00 O ATOM 27 CB HIS A 268 4.513 -11.127 -39.312 1.00 0.00 C ATOM 28 CG HIS A 268 5.644 -10.294 -39.849 1.00 0.00 C ATOM 29 ND1 HIS A 268 6.909 -10.313 -39.284 1.00 0.00 N ATOM 30 CD2 HIS A 268 5.716 -9.412 -40.900 1.00 0.00 C ATOM 31 CE1 HIS A 268 7.681 -9.467 -39.989 1.00 0.00 C ATOM 32 NE2 HIS A 268 7.003 -8.892 -40.986 1.00 0.00 N ATOM 0 HA HIS A 268 5.018 -10.723 -37.262 1.00 0.00 H new ATOM 0 HB2 HIS A 268 4.803 -12.177 -39.283 1.00 0.00 H new ATOM 0 HB3 HIS A 268 3.648 -11.053 -39.972 1.00 0.00 H new ATOM 0 HD2 HIS A 268 4.898 -9.161 -41.559 1.00 0.00 H new ATOM 0 HE1 HIS A 268 8.722 -9.276 -39.775 1.00 0.00 H new ATOM 0 HE2 HIS A 268 7.354 -8.216 -41.665 1.00 0.00 H new ATOM 41 N GLN A 269 4.647 -8.275 -37.838 1.00 0.00 N ATOM 42 CA GLN A 269 4.329 -6.854 -37.875 1.00 0.00 C ATOM 43 C GLN A 269 3.740 -6.475 -39.231 1.00 0.00 C ATOM 44 O GLN A 269 4.100 -7.054 -40.256 1.00 0.00 O ATOM 45 CB GLN A 269 5.594 -6.033 -37.620 1.00 0.00 C ATOM 46 CG GLN A 269 6.760 -6.640 -38.402 1.00 0.00 C ATOM 47 CD GLN A 269 7.904 -5.636 -38.496 1.00 0.00 C ATOM 48 OE1 GLN A 269 8.880 -5.870 -39.211 1.00 0.00 O ATOM 49 NE2 GLN A 269 7.843 -4.526 -37.814 1.00 0.00 N ATOM 0 H GLN A 269 5.636 -8.488 -37.709 1.00 0.00 H new ATOM 0 HA GLN A 269 3.594 -6.642 -37.099 1.00 0.00 H new ATOM 0 HB2 GLN A 269 5.437 -4.998 -37.925 1.00 0.00 H new ATOM 0 HB3 GLN A 269 5.824 -6.020 -36.555 1.00 0.00 H new ATOM 0 HG2 GLN A 269 7.104 -7.550 -37.910 1.00 0.00 H new ATOM 0 HG3 GLN A 269 6.430 -6.923 -39.402 1.00 0.00 H new ATOM 0 HE21 GLN A 269 7.034 -4.334 -37.223 1.00 0.00 H new ATOM 0 HE22 GLN A 269 8.604 -3.849 -37.872 1.00 0.00 H new ATOM 58 N PRO A 270 2.849 -5.516 -39.257 1.00 0.00 N ATOM 59 CA PRO A 270 2.215 -5.064 -40.532 1.00 0.00 C ATOM 60 C PRO A 270 3.244 -4.514 -41.517 1.00 0.00 C ATOM 61 O PRO A 270 4.315 -4.056 -41.119 1.00 0.00 O ATOM 62 CB PRO A 270 1.231 -3.972 -40.096 1.00 0.00 C ATOM 63 CG PRO A 270 1.717 -3.499 -38.769 1.00 0.00 C ATOM 64 CD PRO A 270 2.431 -4.680 -38.120 1.00 0.00 C ATOM 0 HA PRO A 270 1.728 -5.885 -41.058 1.00 0.00 H new ATOM 0 HB2 PRO A 270 1.207 -3.156 -40.818 1.00 0.00 H new ATOM 0 HB3 PRO A 270 0.217 -4.365 -40.024 1.00 0.00 H new ATOM 0 HG2 PRO A 270 2.394 -2.652 -38.884 1.00 0.00 H new ATOM 0 HG3 PRO A 270 0.886 -3.161 -38.150 1.00 0.00 H new ATOM 0 HD2 PRO A 270 3.287 -4.353 -37.530 1.00 0.00 H new ATOM 0 HD3 PRO A 270 1.769 -5.225 -37.447 1.00 0.00 H new ATOM 72 N GLY A 271 2.908 -4.557 -42.801 1.00 0.00 N ATOM 73 CA GLY A 271 3.807 -4.054 -43.832 1.00 0.00 C ATOM 74 C GLY A 271 4.247 -2.632 -43.507 1.00 0.00 C ATOM 75 O GLY A 271 5.221 -2.128 -44.067 1.00 0.00 O ATOM 0 H GLY A 271 2.026 -4.932 -43.151 1.00 0.00 H new ATOM 0 HA2 GLY A 271 4.680 -4.702 -43.910 1.00 0.00 H new ATOM 0 HA3 GLY A 271 3.307 -4.074 -44.800 1.00 0.00 H new ATOM 79 N GLY A 272 3.517 -1.990 -42.600 1.00 0.00 N ATOM 80 CA GLY A 272 3.830 -0.622 -42.204 1.00 0.00 C ATOM 81 C GLY A 272 2.920 0.367 -42.923 1.00 0.00 C ATOM 82 O GLY A 272 3.030 1.579 -42.737 1.00 0.00 O ATOM 0 H GLY A 272 2.708 -2.393 -42.127 1.00 0.00 H new ATOM 0 HA2 GLY A 272 3.713 -0.514 -41.126 1.00 0.00 H new ATOM 0 HA3 GLY A 272 4.872 -0.400 -42.435 1.00 0.00 H new ATOM 86 N GLY A 273 2.019 -0.162 -43.744 1.00 0.00 N ATOM 87 CA GLY A 273 1.089 0.678 -44.487 1.00 0.00 C ATOM 88 C GLY A 273 -0.218 -0.063 -44.754 1.00 0.00 C ATOM 89 O GLY A 273 -0.948 0.266 -45.689 1.00 0.00 O ATOM 0 H GLY A 273 1.914 -1.163 -43.911 1.00 0.00 H new ATOM 0 HA2 GLY A 273 0.887 1.590 -43.925 1.00 0.00 H new ATOM 0 HA3 GLY A 273 1.540 0.980 -45.432 1.00 0.00 H new ATOM 93 N LYS A 274 -0.507 -1.065 -43.929 1.00 0.00 N ATOM 94 CA LYS A 274 -1.729 -1.845 -44.095 1.00 0.00 C ATOM 95 C LYS A 274 -2.870 -1.245 -43.278 1.00 0.00 C ATOM 96 O LYS A 274 -3.736 -0.559 -43.820 1.00 0.00 O ATOM 97 CB LYS A 274 -1.489 -3.290 -43.652 1.00 0.00 C ATOM 98 CG LYS A 274 -2.707 -4.144 -44.011 1.00 0.00 C ATOM 99 CD LYS A 274 -2.489 -5.576 -43.518 1.00 0.00 C ATOM 100 CE LYS A 274 -3.633 -6.467 -44.007 1.00 0.00 C ATOM 101 NZ LYS A 274 -3.169 -7.881 -44.070 1.00 0.00 N ATOM 0 H LYS A 274 0.081 -1.354 -43.147 1.00 0.00 H new ATOM 0 HA LYS A 274 -2.006 -1.826 -45.149 1.00 0.00 H new ATOM 0 HB2 LYS A 274 -0.598 -3.687 -44.138 1.00 0.00 H new ATOM 0 HB3 LYS A 274 -1.310 -3.327 -42.577 1.00 0.00 H new ATOM 0 HG2 LYS A 274 -3.605 -3.725 -43.557 1.00 0.00 H new ATOM 0 HG3 LYS A 274 -2.863 -4.139 -45.090 1.00 0.00 H new ATOM 0 HD2 LYS A 274 -1.536 -5.957 -43.885 1.00 0.00 H new ATOM 0 HD3 LYS A 274 -2.441 -5.593 -42.429 1.00 0.00 H new ATOM 0 HE2 LYS A 274 -4.487 -6.383 -43.335 1.00 0.00 H new ATOM 0 HE3 LYS A 274 -3.969 -6.139 -44.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 -3.946 -8.487 -44.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 -2.367 -7.954 -44.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 -2.869 -8.190 -43.123 1.00 0.00 H new ATOM 115 N VAL A 275 -2.863 -1.504 -41.972 1.00 0.00 N ATOM 116 CA VAL A 275 -3.906 -0.982 -41.092 1.00 0.00 C ATOM 117 C VAL A 275 -3.612 -1.341 -39.638 1.00 0.00 C ATOM 118 O VAL A 275 -3.822 -0.534 -38.733 1.00 0.00 O ATOM 119 CB VAL A 275 -5.266 -1.560 -41.488 1.00 0.00 C ATOM 120 CG1 VAL A 275 -5.320 -3.042 -41.115 1.00 0.00 C ATOM 121 CG2 VAL A 275 -6.373 -0.810 -40.744 1.00 0.00 C ATOM 0 H VAL A 275 -2.153 -2.067 -41.503 1.00 0.00 H new ATOM 0 HA VAL A 275 -3.926 0.103 -41.194 1.00 0.00 H new ATOM 0 HB VAL A 275 -5.408 -1.450 -42.563 1.00 0.00 H new ATOM 0 HG11 VAL A 275 -6.289 -3.453 -41.397 1.00 0.00 H new ATOM 0 HG12 VAL A 275 -4.531 -3.579 -41.642 1.00 0.00 H new ATOM 0 HG13 VAL A 275 -5.179 -3.152 -40.040 1.00 0.00 H new ATOM 0 HG21 VAL A 275 -7.343 -1.220 -41.025 1.00 0.00 H new ATOM 0 HG22 VAL A 275 -6.229 -0.922 -39.669 1.00 0.00 H new ATOM 0 HG23 VAL A 275 -6.337 0.247 -41.007 1.00 0.00 H new ATOM 131 N GLN A 276 -3.128 -2.560 -39.424 1.00 0.00 N ATOM 132 CA GLN A 276 -2.811 -3.025 -38.079 1.00 0.00 C ATOM 133 C GLN A 276 -1.630 -2.252 -37.504 1.00 0.00 C ATOM 134 O GLN A 276 -1.099 -2.607 -36.451 1.00 0.00 O ATOM 135 CB GLN A 276 -2.490 -4.520 -38.104 1.00 0.00 C ATOM 136 CG GLN A 276 -3.733 -5.296 -38.544 1.00 0.00 C ATOM 137 CD GLN A 276 -3.429 -6.788 -38.592 1.00 0.00 C ATOM 138 OE1 GLN A 276 -2.270 -7.183 -38.719 1.00 0.00 O ATOM 139 NE2 GLN A 276 -4.407 -7.645 -38.494 1.00 0.00 N ATOM 0 H GLN A 276 -2.947 -3.241 -40.161 1.00 0.00 H new ATOM 0 HA GLN A 276 -3.680 -2.854 -37.443 1.00 0.00 H new ATOM 0 HB2 GLN A 276 -1.664 -4.715 -38.788 1.00 0.00 H new ATOM 0 HB3 GLN A 276 -2.171 -4.852 -37.116 1.00 0.00 H new ATOM 0 HG2 GLN A 276 -4.554 -5.106 -37.852 1.00 0.00 H new ATOM 0 HG3 GLN A 276 -4.058 -4.951 -39.526 1.00 0.00 H new ATOM 0 HE21 GLN A 276 -5.366 -7.314 -38.389 1.00 0.00 H new ATOM 0 HE22 GLN A 276 -4.213 -8.646 -38.522 1.00 0.00 H new ATOM 148 N ILE A 277 -1.222 -1.198 -38.199 1.00 0.00 N ATOM 149 CA ILE A 277 -0.099 -0.387 -37.745 1.00 0.00 C ATOM 150 C ILE A 277 -0.241 -0.044 -36.271 1.00 0.00 C ATOM 151 O ILE A 277 0.732 -0.077 -35.518 1.00 0.00 O ATOM 152 CB ILE A 277 -0.044 0.914 -38.535 1.00 0.00 C ATOM 153 CG1 ILE A 277 0.272 0.615 -40.003 1.00 0.00 C ATOM 154 CG2 ILE A 277 1.039 1.811 -37.940 1.00 0.00 C ATOM 155 CD1 ILE A 277 0.169 1.903 -40.823 1.00 0.00 C ATOM 0 H ILE A 277 -1.647 -0.886 -39.072 1.00 0.00 H new ATOM 0 HA ILE A 277 0.813 -0.964 -37.899 1.00 0.00 H new ATOM 0 HB ILE A 277 -1.008 1.420 -38.480 1.00 0.00 H new ATOM 0 HG12 ILE A 277 1.274 0.195 -40.092 1.00 0.00 H new ATOM 0 HG13 ILE A 277 -0.422 -0.131 -40.390 1.00 0.00 H new ATOM 0 HG21 ILE A 277 1.086 2.745 -38.500 1.00 0.00 H new ATOM 0 HG22 ILE A 277 0.803 2.024 -36.897 1.00 0.00 H new ATOM 0 HG23 ILE A 277 2.003 1.305 -37.998 1.00 0.00 H new ATOM 0 HD11 ILE A 277 0.394 1.688 -41.868 1.00 0.00 H new ATOM 0 HD12 ILE A 277 -0.841 2.304 -40.745 1.00 0.00 H new ATOM 0 HD13 ILE A 277 0.881 2.635 -40.441 1.00 0.00 H new ATOM 167 N ILE A 278 -1.457 0.286 -35.863 1.00 0.00 N ATOM 168 CA ILE A 278 -1.706 0.632 -34.474 1.00 0.00 C ATOM 169 C ILE A 278 -1.169 -0.462 -33.564 1.00 0.00 C ATOM 170 O ILE A 278 -0.682 -0.190 -32.467 1.00 0.00 O ATOM 171 CB ILE A 278 -3.209 0.799 -34.246 1.00 0.00 C ATOM 172 CG1 ILE A 278 -3.961 -0.278 -35.038 1.00 0.00 C ATOM 173 CG2 ILE A 278 -3.648 2.185 -34.723 1.00 0.00 C ATOM 174 CD1 ILE A 278 -5.311 -0.557 -34.374 1.00 0.00 C ATOM 0 H ILE A 278 -2.278 0.321 -36.467 1.00 0.00 H new ATOM 0 HA ILE A 278 -1.200 1.569 -34.244 1.00 0.00 H new ATOM 0 HB ILE A 278 -3.432 0.696 -33.184 1.00 0.00 H new ATOM 0 HG12 ILE A 278 -4.112 0.051 -36.066 1.00 0.00 H new ATOM 0 HG13 ILE A 278 -3.369 -1.192 -35.080 1.00 0.00 H new ATOM 0 HG21 ILE A 278 -4.719 2.303 -34.560 1.00 0.00 H new ATOM 0 HG22 ILE A 278 -3.109 2.950 -34.164 1.00 0.00 H new ATOM 0 HG23 ILE A 278 -3.429 2.291 -35.785 1.00 0.00 H new ATOM 0 HD11 ILE A 278 -5.843 -1.323 -34.939 1.00 0.00 H new ATOM 0 HD12 ILE A 278 -5.150 -0.905 -33.354 1.00 0.00 H new ATOM 0 HD13 ILE A 278 -5.903 0.358 -34.356 1.00 0.00 H new ATOM 186 N ASN A 279 -1.269 -1.701 -34.029 1.00 0.00 N ATOM 187 CA ASN A 279 -0.797 -2.834 -33.251 1.00 0.00 C ATOM 188 C ASN A 279 0.694 -3.081 -33.467 1.00 0.00 C ATOM 189 O ASN A 279 1.262 -4.012 -32.896 1.00 0.00 O ATOM 190 CB ASN A 279 -1.587 -4.088 -33.627 1.00 0.00 C ATOM 191 CG ASN A 279 -3.076 -3.846 -33.410 1.00 0.00 C ATOM 192 OD1 ASN A 279 -3.869 -4.786 -33.434 1.00 0.00 O ATOM 193 ND2 ASN A 279 -3.507 -2.629 -33.212 1.00 0.00 N ATOM 0 H ASN A 279 -1.670 -1.944 -34.935 1.00 0.00 H new ATOM 0 HA ASN A 279 -0.951 -2.603 -32.197 1.00 0.00 H new ATOM 0 HB2 ASN A 279 -1.400 -4.348 -34.669 1.00 0.00 H new ATOM 0 HB3 ASN A 279 -1.255 -4.933 -33.023 1.00 0.00 H new ATOM 0 HD21 ASN A 279 -4.503 -2.456 -33.077 1.00 0.00 H new ATOM 0 HD22 ASN A 279 -2.847 -1.851 -33.193 1.00 0.00 H new ATOM 200 N LYS A 280 1.325 -2.259 -34.298 1.00 0.00 N ATOM 201 CA LYS A 280 2.746 -2.432 -34.572 1.00 0.00 C ATOM 202 C LYS A 280 3.546 -2.431 -33.274 1.00 0.00 C ATOM 203 O LYS A 280 4.342 -3.336 -33.025 1.00 0.00 O ATOM 204 CB LYS A 280 3.240 -1.294 -35.457 1.00 0.00 C ATOM 205 CG LYS A 280 4.660 -1.597 -35.946 1.00 0.00 C ATOM 206 CD LYS A 280 5.372 -0.289 -36.299 1.00 0.00 C ATOM 207 CE LYS A 280 4.437 0.605 -37.113 1.00 0.00 C ATOM 208 NZ LYS A 280 5.240 1.575 -37.910 1.00 0.00 N ATOM 0 H LYS A 280 0.884 -1.479 -34.786 1.00 0.00 H new ATOM 0 HA LYS A 280 2.885 -3.387 -35.078 1.00 0.00 H new ATOM 0 HB2 LYS A 280 2.572 -1.167 -36.309 1.00 0.00 H new ATOM 0 HB3 LYS A 280 3.229 -0.357 -34.900 1.00 0.00 H new ATOM 0 HG2 LYS A 280 5.216 -2.128 -35.173 1.00 0.00 H new ATOM 0 HG3 LYS A 280 4.624 -2.250 -36.818 1.00 0.00 H new ATOM 0 HD2 LYS A 280 5.681 0.225 -35.389 1.00 0.00 H new ATOM 0 HD3 LYS A 280 6.277 -0.499 -36.869 1.00 0.00 H new ATOM 0 HE2 LYS A 280 3.821 -0.003 -37.775 1.00 0.00 H new ATOM 0 HE3 LYS A 280 3.758 1.139 -36.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 4.602 2.182 -38.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 5.809 2.164 -37.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 5.870 1.057 -38.555 1.00 0.00 H new ATOM 222 N LYS A 281 3.321 -1.417 -32.444 1.00 0.00 N ATOM 223 CA LYS A 281 4.023 -1.328 -31.171 1.00 0.00 C ATOM 224 C LYS A 281 3.615 -2.494 -30.278 1.00 0.00 C ATOM 225 O LYS A 281 4.400 -2.970 -29.457 1.00 0.00 O ATOM 226 CB LYS A 281 3.717 0.011 -30.463 1.00 0.00 C ATOM 227 CG LYS A 281 2.464 0.662 -31.063 1.00 0.00 C ATOM 228 CD LYS A 281 2.852 1.491 -32.290 1.00 0.00 C ATOM 229 CE LYS A 281 1.590 2.053 -32.953 1.00 0.00 C ATOM 230 NZ LYS A 281 1.919 3.334 -33.638 1.00 0.00 N ATOM 0 H LYS A 281 2.667 -0.656 -32.627 1.00 0.00 H new ATOM 0 HA LYS A 281 5.095 -1.374 -31.363 1.00 0.00 H new ATOM 0 HB2 LYS A 281 3.570 -0.160 -29.397 1.00 0.00 H new ATOM 0 HB3 LYS A 281 4.568 0.685 -30.563 1.00 0.00 H new ATOM 0 HG2 LYS A 281 1.742 -0.105 -31.344 1.00 0.00 H new ATOM 0 HG3 LYS A 281 1.981 1.297 -30.320 1.00 0.00 H new ATOM 0 HD2 LYS A 281 3.514 2.306 -31.996 1.00 0.00 H new ATOM 0 HD3 LYS A 281 3.403 0.873 -32.999 1.00 0.00 H new ATOM 0 HE2 LYS A 281 1.193 1.335 -33.671 1.00 0.00 H new ATOM 0 HE3 LYS A 281 0.815 2.217 -32.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 1.063 3.717 -34.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 2.279 4.018 -32.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 2.645 3.164 -34.363 1.00 0.00 H new ATOM 244 N LEU A 282 2.375 -2.942 -30.444 1.00 0.00 N ATOM 245 CA LEU A 282 1.859 -4.051 -29.644 1.00 0.00 C ATOM 246 C LEU A 282 2.558 -5.361 -29.995 1.00 0.00 C ATOM 247 O LEU A 282 2.761 -6.214 -29.133 1.00 0.00 O ATOM 248 CB LEU A 282 0.350 -4.211 -29.859 1.00 0.00 C ATOM 249 CG LEU A 282 -0.408 -3.098 -29.125 1.00 0.00 C ATOM 250 CD1 LEU A 282 -0.299 -3.298 -27.607 1.00 0.00 C ATOM 251 CD2 LEU A 282 0.183 -1.739 -29.506 1.00 0.00 C ATOM 0 H LEU A 282 1.712 -2.559 -31.119 1.00 0.00 H new ATOM 0 HA LEU A 282 2.057 -3.818 -28.598 1.00 0.00 H new ATOM 0 HB2 LEU A 282 0.121 -4.176 -30.924 1.00 0.00 H new ATOM 0 HB3 LEU A 282 0.024 -5.185 -29.494 1.00 0.00 H new ATOM 0 HG LEU A 282 -1.459 -3.133 -29.414 1.00 0.00 H new ATOM 0 HD11 LEU A 282 -0.841 -2.502 -27.095 1.00 0.00 H new ATOM 0 HD12 LEU A 282 -0.729 -4.262 -27.335 1.00 0.00 H new ATOM 0 HD13 LEU A 282 0.750 -3.272 -27.311 1.00 0.00 H new ATOM 0 HD21 LEU A 282 -0.356 -0.949 -28.984 1.00 0.00 H new ATOM 0 HD22 LEU A 282 1.235 -1.708 -29.224 1.00 0.00 H new ATOM 0 HD23 LEU A 282 0.091 -1.591 -30.582 1.00 0.00 H new ATOM 263 N ASP A 283 2.916 -5.522 -31.267 1.00 0.00 N ATOM 264 CA ASP A 283 3.581 -6.745 -31.713 1.00 0.00 C ATOM 265 C ASP A 283 5.060 -6.498 -31.989 1.00 0.00 C ATOM 266 O ASP A 283 5.472 -5.374 -32.277 1.00 0.00 O ATOM 267 CB ASP A 283 2.904 -7.268 -32.983 1.00 0.00 C ATOM 268 CG ASP A 283 3.090 -6.275 -34.125 1.00 0.00 C ATOM 269 OD1 ASP A 283 3.916 -5.389 -33.987 1.00 0.00 O ATOM 270 OD2 ASP A 283 2.402 -6.416 -35.123 1.00 0.00 O ATOM 0 H ASP A 283 2.759 -4.830 -32.000 1.00 0.00 H new ATOM 0 HA ASP A 283 3.499 -7.486 -30.918 1.00 0.00 H new ATOM 0 HB2 ASP A 283 3.328 -8.234 -33.258 1.00 0.00 H new ATOM 0 HB3 ASP A 283 1.841 -7.427 -32.799 1.00 0.00 H new ATOM 275 N LEU A 284 5.852 -7.565 -31.903 1.00 0.00 N ATOM 276 CA LEU A 284 7.288 -7.473 -32.153 1.00 0.00 C ATOM 277 C LEU A 284 7.636 -8.164 -33.467 1.00 0.00 C ATOM 278 O LEU A 284 6.933 -9.077 -33.899 1.00 0.00 O ATOM 279 CB LEU A 284 8.072 -8.132 -31.016 1.00 0.00 C ATOM 280 CG LEU A 284 7.576 -7.603 -29.670 1.00 0.00 C ATOM 281 CD1 LEU A 284 8.492 -8.105 -28.552 1.00 0.00 C ATOM 282 CD2 LEU A 284 7.584 -6.074 -29.691 1.00 0.00 C ATOM 0 H LEU A 284 5.524 -8.501 -31.663 1.00 0.00 H new ATOM 0 HA LEU A 284 7.558 -6.419 -32.211 1.00 0.00 H new ATOM 0 HB2 LEU A 284 7.951 -9.214 -31.058 1.00 0.00 H new ATOM 0 HB3 LEU A 284 9.136 -7.925 -31.128 1.00 0.00 H new ATOM 0 HG LEU A 284 6.561 -7.959 -29.491 1.00 0.00 H new ATOM 0 HD11 LEU A 284 8.137 -7.727 -27.593 1.00 0.00 H new ATOM 0 HD12 LEU A 284 8.485 -9.195 -28.537 1.00 0.00 H new ATOM 0 HD13 LEU A 284 9.508 -7.751 -28.728 1.00 0.00 H new ATOM 0 HD21 LEU A 284 7.231 -5.695 -28.732 1.00 0.00 H new ATOM 0 HD22 LEU A 284 8.598 -5.718 -29.870 1.00 0.00 H new ATOM 0 HD23 LEU A 284 6.929 -5.718 -30.486 1.00 0.00 H new ATOM 294 N SER A 285 8.720 -7.724 -34.096 1.00 0.00 N ATOM 295 CA SER A 285 9.150 -8.312 -35.361 1.00 0.00 C ATOM 296 C SER A 285 9.368 -9.821 -35.205 1.00 0.00 C ATOM 297 O SER A 285 10.501 -10.297 -35.166 1.00 0.00 O ATOM 298 CB SER A 285 10.445 -7.635 -35.822 1.00 0.00 C ATOM 299 OG SER A 285 10.146 -6.710 -36.858 1.00 0.00 O ATOM 0 H SER A 285 9.314 -6.968 -33.755 1.00 0.00 H new ATOM 0 HA SER A 285 8.373 -8.155 -36.109 1.00 0.00 H new ATOM 0 HB2 SER A 285 10.919 -7.121 -34.985 1.00 0.00 H new ATOM 0 HB3 SER A 285 11.153 -8.383 -36.179 1.00 0.00 H new ATOM 0 HG SER A 285 10.972 -6.273 -37.155 1.00 0.00 H new ATOM 305 N ASN A 286 8.272 -10.563 -35.104 1.00 0.00 N ATOM 306 CA ASN A 286 8.341 -12.013 -34.942 1.00 0.00 C ATOM 307 C ASN A 286 9.201 -12.395 -33.739 1.00 0.00 C ATOM 308 O ASN A 286 9.275 -13.568 -33.374 1.00 0.00 O ATOM 309 CB ASN A 286 8.899 -12.661 -36.218 1.00 0.00 C ATOM 310 CG ASN A 286 10.427 -12.613 -36.233 1.00 0.00 C ATOM 311 OD1 ASN A 286 11.020 -12.067 -37.162 1.00 0.00 O ATOM 312 ND2 ASN A 286 11.102 -13.160 -35.258 1.00 0.00 N ATOM 0 H ASN A 286 7.324 -10.186 -35.131 1.00 0.00 H new ATOM 0 HA ASN A 286 7.331 -12.382 -34.765 1.00 0.00 H new ATOM 0 HB2 ASN A 286 8.563 -13.696 -36.281 1.00 0.00 H new ATOM 0 HB3 ASN A 286 8.507 -12.145 -37.094 1.00 0.00 H new ATOM 0 HD21 ASN A 286 12.122 -13.135 -35.267 1.00 0.00 H new ATOM 0 HD22 ASN A 286 10.610 -13.613 -34.488 1.00 0.00 H new ATOM 319 N VAL A 287 9.843 -11.409 -33.116 1.00 0.00 N ATOM 320 CA VAL A 287 10.672 -11.685 -31.953 1.00 0.00 C ATOM 321 C VAL A 287 9.804 -12.281 -30.863 1.00 0.00 C ATOM 322 O VAL A 287 10.272 -13.041 -30.015 1.00 0.00 O ATOM 323 CB VAL A 287 11.332 -10.400 -31.448 1.00 0.00 C ATOM 324 CG1 VAL A 287 12.013 -10.671 -30.107 1.00 0.00 C ATOM 325 CG2 VAL A 287 12.377 -9.930 -32.461 1.00 0.00 C ATOM 0 H VAL A 287 9.805 -10.428 -33.394 1.00 0.00 H new ATOM 0 HA VAL A 287 11.458 -12.388 -32.229 1.00 0.00 H new ATOM 0 HB VAL A 287 10.573 -9.628 -31.323 1.00 0.00 H new ATOM 0 HG11 VAL A 287 12.483 -9.756 -29.746 1.00 0.00 H new ATOM 0 HG12 VAL A 287 11.270 -11.007 -29.383 1.00 0.00 H new ATOM 0 HG13 VAL A 287 12.771 -11.443 -30.234 1.00 0.00 H new ATOM 0 HG21 VAL A 287 12.847 -9.015 -32.101 1.00 0.00 H new ATOM 0 HG22 VAL A 287 13.136 -10.702 -32.586 1.00 0.00 H new ATOM 0 HG23 VAL A 287 11.894 -9.737 -33.419 1.00 0.00 H new