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 Set 1.1: A 268 HIS : no HD1:sc= -2.5 K(o=-3.2,f=-3.9) USER MOD Set 1.2: A 280 LYS NZ :NH3+ -168:sc= -0.65 (180deg=-0.944) USER MOD Set 1.3: A 285 SER OG : rot 105:sc= -0.0257! USER MOD Single : A 269 GLN : amide:sc= -1.56 K(o=-1.6,f=-0.48) USER MOD Single : A 274 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 276 GLN : amide:sc= 0 X(o=0,f=0.41) USER MOD Single : A 279 ASN : amide:sc= -0.0495 X(o=-0.05,f=-0.05) USER MOD Single : A 281 LYS NZ :NH3+ -165:sc= 0.74 (180deg=-0.356!) USER MOD Single : A 286 ASN : amide:sc= -2.19! K(o=-2.2!,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 23 N HIS A 268 24.818 -3.332 -22.312 1.00 0.00 N ATOM 24 CA HIS A 268 23.790 -4.095 -23.012 1.00 0.00 C ATOM 25 C HIS A 268 24.337 -5.466 -23.415 1.00 0.00 C ATOM 26 O HIS A 268 25.197 -6.020 -22.731 1.00 0.00 O ATOM 27 CB HIS A 268 23.310 -3.313 -24.253 1.00 0.00 C ATOM 28 CG HIS A 268 23.809 -1.895 -24.177 1.00 0.00 C ATOM 29 ND1 HIS A 268 23.013 -0.850 -23.736 1.00 0.00 N ATOM 30 CD2 HIS A 268 25.029 -1.339 -24.474 1.00 0.00 C ATOM 31 CE1 HIS A 268 23.756 0.270 -23.777 1.00 0.00 C ATOM 32 NE2 HIS A 268 24.993 0.029 -24.220 1.00 0.00 N ATOM 0 HA HIS A 268 22.940 -4.246 -22.347 1.00 0.00 H new ATOM 0 HB2 HIS A 268 23.677 -3.791 -25.161 1.00 0.00 H new ATOM 0 HB3 HIS A 268 22.221 -3.324 -24.304 1.00 0.00 H new ATOM 0 HD2 HIS A 268 25.886 -1.880 -24.848 1.00 0.00 H new ATOM 0 HE1 HIS A 268 23.396 1.246 -23.487 1.00 0.00 H new ATOM 0 HE2 HIS A 268 25.749 0.703 -24.345 1.00 0.00 H new ATOM 41 N GLN A 269 23.840 -6.012 -24.520 1.00 0.00 N ATOM 42 CA GLN A 269 24.302 -7.317 -24.978 1.00 0.00 C ATOM 43 C GLN A 269 25.822 -7.428 -24.816 1.00 0.00 C ATOM 44 O GLN A 269 26.334 -8.472 -24.412 1.00 0.00 O ATOM 45 CB GLN A 269 23.900 -7.540 -26.449 1.00 0.00 C ATOM 46 CG GLN A 269 22.628 -8.394 -26.522 1.00 0.00 C ATOM 47 CD GLN A 269 21.913 -8.152 -27.846 1.00 0.00 C ATOM 48 OE1 GLN A 269 22.177 -8.842 -28.830 1.00 0.00 O ATOM 49 NE2 GLN A 269 21.016 -7.208 -27.928 1.00 0.00 N ATOM 0 H GLN A 269 23.128 -5.579 -25.108 1.00 0.00 H new ATOM 0 HA GLN A 269 23.831 -8.089 -24.369 1.00 0.00 H new ATOM 0 HB2 GLN A 269 23.732 -6.580 -26.938 1.00 0.00 H new ATOM 0 HB3 GLN A 269 24.711 -8.034 -26.985 1.00 0.00 H new ATOM 0 HG2 GLN A 269 22.883 -9.449 -26.424 1.00 0.00 H new ATOM 0 HG3 GLN A 269 21.966 -8.147 -25.692 1.00 0.00 H new ATOM 0 HE21 GLN A 269 20.799 -6.638 -27.110 1.00 0.00 H new ATOM 0 HE22 GLN A 269 20.531 -7.040 -28.810 1.00 0.00 H new ATOM 58 N PRO A 270 26.546 -6.372 -25.099 1.00 0.00 N ATOM 59 CA PRO A 270 28.031 -6.376 -24.948 1.00 0.00 C ATOM 60 C PRO A 270 28.455 -6.073 -23.511 1.00 0.00 C ATOM 61 O PRO A 270 28.619 -4.913 -23.133 1.00 0.00 O ATOM 62 CB PRO A 270 28.524 -5.283 -25.921 1.00 0.00 C ATOM 63 CG PRO A 270 27.296 -4.615 -26.453 1.00 0.00 C ATOM 64 CD PRO A 270 26.158 -5.613 -26.290 1.00 0.00 C ATOM 0 HA PRO A 270 28.459 -7.353 -25.172 1.00 0.00 H new ATOM 0 HB2 PRO A 270 29.166 -4.567 -25.409 1.00 0.00 H new ATOM 0 HB3 PRO A 270 29.112 -5.718 -26.729 1.00 0.00 H new ATOM 0 HG2 PRO A 270 27.087 -3.695 -25.907 1.00 0.00 H new ATOM 0 HG3 PRO A 270 27.426 -4.342 -27.500 1.00 0.00 H new ATOM 0 HD2 PRO A 270 25.200 -5.112 -26.154 1.00 0.00 H new ATOM 0 HD3 PRO A 270 26.059 -6.257 -27.164 1.00 0.00 H new ATOM 72 N GLY A 271 28.628 -7.125 -22.718 1.00 0.00 N ATOM 73 CA GLY A 271 29.031 -6.964 -21.324 1.00 0.00 C ATOM 74 C GLY A 271 30.531 -6.717 -21.218 1.00 0.00 C ATOM 75 O GLY A 271 31.164 -7.094 -20.231 1.00 0.00 O ATOM 0 H GLY A 271 28.497 -8.093 -23.013 1.00 0.00 H new ATOM 0 HA2 GLY A 271 28.488 -6.130 -20.878 1.00 0.00 H new ATOM 0 HA3 GLY A 271 28.764 -7.857 -20.758 1.00 0.00 H new ATOM 79 N GLY A 272 31.096 -6.086 -22.243 1.00 0.00 N ATOM 80 CA GLY A 272 32.525 -5.797 -22.256 1.00 0.00 C ATOM 81 C GLY A 272 33.281 -6.868 -23.033 1.00 0.00 C ATOM 82 O GLY A 272 34.509 -6.841 -23.116 1.00 0.00 O ATOM 0 H GLY A 272 30.590 -5.767 -23.069 1.00 0.00 H new ATOM 0 HA2 GLY A 272 32.700 -4.821 -22.708 1.00 0.00 H new ATOM 0 HA3 GLY A 272 32.901 -5.748 -21.234 1.00 0.00 H new ATOM 86 N GLY A 273 32.537 -7.810 -23.603 1.00 0.00 N ATOM 87 CA GLY A 273 33.140 -8.888 -24.376 1.00 0.00 C ATOM 88 C GLY A 273 33.415 -8.439 -25.806 1.00 0.00 C ATOM 89 O GLY A 273 33.287 -7.259 -26.130 1.00 0.00 O ATOM 0 H GLY A 273 31.519 -7.848 -23.544 1.00 0.00 H new ATOM 0 HA2 GLY A 273 34.070 -9.204 -23.904 1.00 0.00 H new ATOM 0 HA3 GLY A 273 32.476 -9.752 -24.383 1.00 0.00 H new ATOM 93 N LYS A 274 33.794 -9.384 -26.657 1.00 0.00 N ATOM 94 CA LYS A 274 34.085 -9.069 -28.050 1.00 0.00 C ATOM 95 C LYS A 274 32.895 -8.370 -28.702 1.00 0.00 C ATOM 96 O LYS A 274 33.066 -7.536 -29.590 1.00 0.00 O ATOM 97 CB LYS A 274 34.419 -10.351 -28.815 1.00 0.00 C ATOM 98 CG LYS A 274 35.706 -10.954 -28.251 1.00 0.00 C ATOM 99 CD LYS A 274 36.116 -12.168 -29.088 1.00 0.00 C ATOM 100 CE LYS A 274 37.338 -12.838 -28.453 1.00 0.00 C ATOM 101 NZ LYS A 274 38.106 -13.566 -29.502 1.00 0.00 N ATOM 0 H LYS A 274 33.906 -10.367 -26.410 1.00 0.00 H new ATOM 0 HA LYS A 274 34.943 -8.397 -28.082 1.00 0.00 H new ATOM 0 HB2 LYS A 274 33.600 -11.065 -28.727 1.00 0.00 H new ATOM 0 HB3 LYS A 274 34.540 -10.134 -29.876 1.00 0.00 H new ATOM 0 HG2 LYS A 274 36.502 -10.209 -28.259 1.00 0.00 H new ATOM 0 HG3 LYS A 274 35.556 -11.250 -27.213 1.00 0.00 H new ATOM 0 HD2 LYS A 274 35.290 -12.877 -29.149 1.00 0.00 H new ATOM 0 HD3 LYS A 274 36.346 -11.859 -30.108 1.00 0.00 H new ATOM 0 HE2 LYS A 274 37.971 -12.089 -27.978 1.00 0.00 H new ATOM 0 HE3 LYS A 274 37.022 -13.530 -27.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 274 38.936 -14.021 -29.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 274 37.500 -14.291 -29.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 274 38.419 -12.895 -30.232 1.00 0.00 H new ATOM 115 N VAL A 275 31.691 -8.708 -28.249 1.00 0.00 N ATOM 116 CA VAL A 275 30.483 -8.098 -28.789 1.00 0.00 C ATOM 117 C VAL A 275 30.541 -6.582 -28.619 1.00 0.00 C ATOM 118 O VAL A 275 29.743 -5.849 -29.203 1.00 0.00 O ATOM 119 CB VAL A 275 29.249 -8.656 -28.080 1.00 0.00 C ATOM 120 CG1 VAL A 275 27.992 -7.980 -28.629 1.00 0.00 C ATOM 121 CG2 VAL A 275 29.162 -10.165 -28.323 1.00 0.00 C ATOM 0 H VAL A 275 31.528 -9.396 -27.514 1.00 0.00 H new ATOM 0 HA VAL A 275 30.416 -8.333 -29.851 1.00 0.00 H new ATOM 0 HB VAL A 275 29.327 -8.461 -27.010 1.00 0.00 H new ATOM 0 HG11 VAL A 275 27.113 -8.379 -28.122 1.00 0.00 H new ATOM 0 HG12 VAL A 275 28.053 -6.905 -28.458 1.00 0.00 H new ATOM 0 HG13 VAL A 275 27.913 -8.173 -29.699 1.00 0.00 H new ATOM 0 HG21 VAL A 275 28.283 -10.565 -27.818 1.00 0.00 H new ATOM 0 HG22 VAL A 275 29.085 -10.357 -29.393 1.00 0.00 H new ATOM 0 HG23 VAL A 275 30.057 -10.649 -27.931 1.00 0.00 H new ATOM 131 N GLN A 276 31.495 -6.126 -27.807 1.00 0.00 N ATOM 132 CA GLN A 276 31.671 -4.697 -27.546 1.00 0.00 C ATOM 133 C GLN A 276 31.579 -3.876 -28.832 1.00 0.00 C ATOM 134 O GLN A 276 31.547 -2.648 -28.788 1.00 0.00 O ATOM 135 CB GLN A 276 33.024 -4.455 -26.876 1.00 0.00 C ATOM 136 CG GLN A 276 34.145 -4.968 -27.783 1.00 0.00 C ATOM 137 CD GLN A 276 35.485 -4.865 -27.062 1.00 0.00 C ATOM 138 OE1 GLN A 276 35.716 -5.565 -26.074 1.00 0.00 O ATOM 139 NE2 GLN A 276 36.391 -4.036 -27.501 1.00 0.00 N ATOM 0 H GLN A 276 32.159 -6.726 -27.318 1.00 0.00 H new ATOM 0 HA GLN A 276 30.868 -4.376 -26.883 1.00 0.00 H new ATOM 0 HB2 GLN A 276 33.159 -3.391 -26.680 1.00 0.00 H new ATOM 0 HB3 GLN A 276 33.060 -4.964 -25.913 1.00 0.00 H new ATOM 0 HG2 GLN A 276 33.952 -6.003 -28.064 1.00 0.00 H new ATOM 0 HG3 GLN A 276 34.173 -4.387 -28.705 1.00 0.00 H new ATOM 0 HE21 GLN A 276 36.199 -3.457 -28.319 1.00 0.00 H new ATOM 0 HE22 GLN A 276 37.291 -3.967 -27.027 1.00 0.00 H new ATOM 148 N ILE A 277 31.527 -4.560 -29.972 1.00 0.00 N ATOM 149 CA ILE A 277 31.427 -3.887 -31.264 1.00 0.00 C ATOM 150 C ILE A 277 30.329 -2.819 -31.252 1.00 0.00 C ATOM 151 O ILE A 277 30.137 -2.108 -32.237 1.00 0.00 O ATOM 152 CB ILE A 277 31.117 -4.912 -32.357 1.00 0.00 C ATOM 153 CG1 ILE A 277 32.179 -6.018 -32.358 1.00 0.00 C ATOM 154 CG2 ILE A 277 31.105 -4.217 -33.717 1.00 0.00 C ATOM 155 CD1 ILE A 277 33.578 -5.402 -32.445 1.00 0.00 C ATOM 0 H ILE A 277 31.552 -5.578 -30.027 1.00 0.00 H new ATOM 0 HA ILE A 277 32.382 -3.401 -31.464 1.00 0.00 H new ATOM 0 HB ILE A 277 30.141 -5.356 -32.163 1.00 0.00 H new ATOM 0 HG12 ILE A 277 32.092 -6.617 -31.452 1.00 0.00 H new ATOM 0 HG13 ILE A 277 32.015 -6.690 -33.201 1.00 0.00 H new ATOM 0 HG21 ILE A 277 30.884 -4.946 -34.496 1.00 0.00 H new ATOM 0 HG22 ILE A 277 30.342 -3.439 -33.721 1.00 0.00 H new ATOM 0 HG23 ILE A 277 32.081 -3.769 -33.905 1.00 0.00 H new ATOM 0 HD11 ILE A 277 34.325 -6.195 -32.445 1.00 0.00 H new ATOM 0 HD12 ILE A 277 33.664 -4.822 -33.364 1.00 0.00 H new ATOM 0 HD13 ILE A 277 33.742 -4.749 -31.588 1.00 0.00 H new ATOM 167 N ILE A 278 29.611 -2.714 -30.136 1.00 0.00 N ATOM 168 CA ILE A 278 28.533 -1.737 -30.011 1.00 0.00 C ATOM 169 C ILE A 278 27.395 -2.077 -30.975 1.00 0.00 C ATOM 170 O ILE A 278 26.441 -1.315 -31.127 1.00 0.00 O ATOM 171 CB ILE A 278 29.058 -0.322 -30.307 1.00 0.00 C ATOM 172 CG1 ILE A 278 30.404 -0.116 -29.599 1.00 0.00 C ATOM 173 CG2 ILE A 278 28.052 0.734 -29.804 1.00 0.00 C ATOM 174 CD1 ILE A 278 30.853 1.337 -29.773 1.00 0.00 C ATOM 0 H ILE A 278 29.756 -3.292 -29.308 1.00 0.00 H new ATOM 0 HA ILE A 278 28.155 -1.769 -28.989 1.00 0.00 H new ATOM 0 HB ILE A 278 29.186 -0.211 -31.384 1.00 0.00 H new ATOM 0 HG12 ILE A 278 30.310 -0.355 -28.540 1.00 0.00 H new ATOM 0 HG13 ILE A 278 31.152 -0.792 -30.013 1.00 0.00 H new ATOM 0 HG21 ILE A 278 28.434 1.732 -30.019 1.00 0.00 H new ATOM 0 HG22 ILE A 278 27.096 0.595 -30.309 1.00 0.00 H new ATOM 0 HG23 ILE A 278 27.914 0.622 -28.729 1.00 0.00 H new ATOM 0 HD11 ILE A 278 31.809 1.485 -29.271 1.00 0.00 H new ATOM 0 HD12 ILE A 278 30.963 1.559 -30.834 1.00 0.00 H new ATOM 0 HD13 ILE A 278 30.108 2.003 -29.338 1.00 0.00 H new ATOM 186 N ASN A 279 27.502 -3.235 -31.618 1.00 0.00 N ATOM 187 CA ASN A 279 26.476 -3.680 -32.555 1.00 0.00 C ATOM 188 C ASN A 279 25.112 -3.750 -31.870 1.00 0.00 C ATOM 189 O ASN A 279 24.075 -3.787 -32.531 1.00 0.00 O ATOM 190 CB ASN A 279 26.839 -5.055 -33.118 1.00 0.00 C ATOM 191 CG ASN A 279 25.892 -5.415 -34.257 1.00 0.00 C ATOM 192 OD1 ASN A 279 25.079 -6.329 -34.125 1.00 0.00 O ATOM 193 ND2 ASN A 279 25.946 -4.740 -35.373 1.00 0.00 N ATOM 0 H ASN A 279 28.285 -3.880 -31.509 1.00 0.00 H new ATOM 0 HA ASN A 279 26.422 -2.958 -33.370 1.00 0.00 H new ATOM 0 HB2 ASN A 279 27.868 -5.051 -33.477 1.00 0.00 H new ATOM 0 HB3 ASN A 279 26.779 -5.807 -32.332 1.00 0.00 H new ATOM 0 HD21 ASN A 279 25.313 -4.970 -36.139 1.00 0.00 H new ATOM 0 HD22 ASN A 279 26.621 -3.983 -35.479 1.00 0.00 H new ATOM 200 N LYS A 280 25.130 -3.785 -30.540 1.00 0.00 N ATOM 201 CA LYS A 280 23.901 -3.868 -29.749 1.00 0.00 C ATOM 202 C LYS A 280 22.838 -2.871 -30.225 1.00 0.00 C ATOM 203 O LYS A 280 21.744 -2.820 -29.668 1.00 0.00 O ATOM 204 CB LYS A 280 24.227 -3.658 -28.254 1.00 0.00 C ATOM 205 CG LYS A 280 24.016 -2.197 -27.811 1.00 0.00 C ATOM 206 CD LYS A 280 24.951 -1.270 -28.592 1.00 0.00 C ATOM 207 CE LYS A 280 24.814 0.160 -28.063 1.00 0.00 C ATOM 208 NZ LYS A 280 23.494 0.321 -27.390 1.00 0.00 N ATOM 0 H LYS A 280 25.985 -3.757 -29.984 1.00 0.00 H new ATOM 0 HA LYS A 280 23.479 -4.863 -29.887 1.00 0.00 H new ATOM 0 HB2 LYS A 280 23.598 -4.313 -27.651 1.00 0.00 H new ATOM 0 HB3 LYS A 280 25.261 -3.947 -28.065 1.00 0.00 H new ATOM 0 HG2 LYS A 280 22.979 -1.905 -27.977 1.00 0.00 H new ATOM 0 HG3 LYS A 280 24.207 -2.102 -26.742 1.00 0.00 H new ATOM 0 HD2 LYS A 280 25.982 -1.608 -28.492 1.00 0.00 H new ATOM 0 HD3 LYS A 280 24.707 -1.301 -29.654 1.00 0.00 H new ATOM 0 HE2 LYS A 280 25.620 0.378 -27.362 1.00 0.00 H new ATOM 0 HE3 LYS A 280 24.904 0.872 -28.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 280 23.315 1.330 -27.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 280 22.744 -0.061 -28.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 280 23.500 -0.193 -26.486 1.00 0.00 H new ATOM 222 N LYS A 281 23.162 -2.069 -31.232 1.00 0.00 N ATOM 223 CA LYS A 281 22.213 -1.081 -31.730 1.00 0.00 C ATOM 224 C LYS A 281 20.817 -1.691 -31.818 1.00 0.00 C ATOM 225 O LYS A 281 19.818 -0.997 -31.624 1.00 0.00 O ATOM 226 CB LYS A 281 22.643 -0.594 -33.115 1.00 0.00 C ATOM 227 CG LYS A 281 24.106 -0.141 -33.079 1.00 0.00 C ATOM 228 CD LYS A 281 24.277 1.000 -32.075 1.00 0.00 C ATOM 229 CE LYS A 281 25.605 1.713 -32.339 1.00 0.00 C ATOM 230 NZ LYS A 281 26.605 0.730 -32.842 1.00 0.00 N ATOM 0 H LYS A 281 24.061 -2.082 -31.714 1.00 0.00 H new ATOM 0 HA LYS A 281 22.194 -0.238 -31.040 1.00 0.00 H new ATOM 0 HB2 LYS A 281 22.519 -1.393 -33.846 1.00 0.00 H new ATOM 0 HB3 LYS A 281 22.006 0.231 -33.434 1.00 0.00 H new ATOM 0 HG2 LYS A 281 24.748 -0.978 -32.803 1.00 0.00 H new ATOM 0 HG3 LYS A 281 24.418 0.187 -34.071 1.00 0.00 H new ATOM 0 HD2 LYS A 281 23.450 1.704 -32.163 1.00 0.00 H new ATOM 0 HD3 LYS A 281 24.257 0.610 -31.057 1.00 0.00 H new ATOM 0 HE2 LYS A 281 25.463 2.510 -33.069 1.00 0.00 H new ATOM 0 HE3 LYS A 281 25.967 2.180 -31.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 281 27.558 1.142 -32.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 281 26.564 -0.134 -32.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 281 26.392 0.494 -33.832 1.00 0.00 H new ATOM 244 N LEU A 282 20.751 -2.989 -32.094 1.00 0.00 N ATOM 245 CA LEU A 282 19.462 -3.666 -32.181 1.00 0.00 C ATOM 246 C LEU A 282 18.742 -3.562 -30.840 1.00 0.00 C ATOM 247 O LEU A 282 17.520 -3.418 -30.784 1.00 0.00 O ATOM 248 CB LEU A 282 19.663 -5.138 -32.550 1.00 0.00 C ATOM 249 CG LEU A 282 20.442 -5.238 -33.864 1.00 0.00 C ATOM 250 CD1 LEU A 282 20.572 -6.708 -34.270 1.00 0.00 C ATOM 251 CD2 LEU A 282 19.697 -4.473 -34.962 1.00 0.00 C ATOM 0 H LEU A 282 21.561 -3.586 -32.259 1.00 0.00 H new ATOM 0 HA LEU A 282 18.860 -3.190 -32.955 1.00 0.00 H new ATOM 0 HB2 LEU A 282 20.204 -5.652 -31.755 1.00 0.00 H new ATOM 0 HB3 LEU A 282 18.697 -5.633 -32.650 1.00 0.00 H new ATOM 0 HG LEU A 282 21.434 -4.807 -33.729 1.00 0.00 H new ATOM 0 HD11 LEU A 282 21.127 -6.779 -35.206 1.00 0.00 H new ATOM 0 HD12 LEU A 282 21.103 -7.255 -33.491 1.00 0.00 H new ATOM 0 HD13 LEU A 282 19.579 -7.138 -34.403 1.00 0.00 H new ATOM 0 HD21 LEU A 282 20.253 -4.545 -35.897 1.00 0.00 H new ATOM 0 HD22 LEU A 282 18.704 -4.903 -35.096 1.00 0.00 H new ATOM 0 HD23 LEU A 282 19.603 -3.425 -34.676 1.00 0.00 H new ATOM 263 N ASP A 283 19.520 -3.616 -29.765 1.00 0.00 N ATOM 264 CA ASP A 283 18.976 -3.508 -28.418 1.00 0.00 C ATOM 265 C ASP A 283 18.604 -2.059 -28.121 1.00 0.00 C ATOM 266 O ASP A 283 19.334 -1.138 -28.488 1.00 0.00 O ATOM 267 CB ASP A 283 20.006 -3.989 -27.394 1.00 0.00 C ATOM 268 CG ASP A 283 19.380 -4.028 -26.005 1.00 0.00 C ATOM 269 OD1 ASP A 283 18.189 -3.784 -25.907 1.00 0.00 O ATOM 270 OD2 ASP A 283 20.101 -4.299 -25.058 1.00 0.00 O ATOM 0 H ASP A 283 20.532 -3.734 -29.801 1.00 0.00 H new ATOM 0 HA ASP A 283 18.085 -4.132 -28.351 1.00 0.00 H new ATOM 0 HB2 ASP A 283 20.367 -4.980 -27.667 1.00 0.00 H new ATOM 0 HB3 ASP A 283 20.870 -3.324 -27.394 1.00 0.00 H new ATOM 275 N LEU A 284 17.472 -1.858 -27.458 1.00 0.00 N ATOM 276 CA LEU A 284 17.032 -0.514 -27.126 1.00 0.00 C ATOM 277 C LEU A 284 18.044 0.138 -26.202 1.00 0.00 C ATOM 278 O LEU A 284 18.199 1.360 -26.195 1.00 0.00 O ATOM 279 CB LEU A 284 15.668 -0.566 -26.438 1.00 0.00 C ATOM 280 CG LEU A 284 14.734 -1.478 -27.228 1.00 0.00 C ATOM 281 CD1 LEU A 284 13.304 -1.306 -26.714 1.00 0.00 C ATOM 282 CD2 LEU A 284 14.803 -1.108 -28.710 1.00 0.00 C ATOM 0 H LEU A 284 16.849 -2.602 -27.143 1.00 0.00 H new ATOM 0 HA LEU A 284 16.947 0.070 -28.042 1.00 0.00 H new ATOM 0 HB2 LEU A 284 15.777 -0.935 -25.418 1.00 0.00 H new ATOM 0 HB3 LEU A 284 15.244 0.436 -26.371 1.00 0.00 H new ATOM 0 HG LEU A 284 15.037 -2.517 -27.102 1.00 0.00 H new ATOM 0 HD11 LEU A 284 12.634 -1.956 -27.277 1.00 0.00 H new ATOM 0 HD12 LEU A 284 13.263 -1.570 -25.657 1.00 0.00 H new ATOM 0 HD13 LEU A 284 12.994 -0.269 -26.841 1.00 0.00 H new ATOM 0 HD21 LEU A 284 14.137 -1.757 -29.278 1.00 0.00 H new ATOM 0 HD22 LEU A 284 14.497 -0.070 -28.841 1.00 0.00 H new ATOM 0 HD23 LEU A 284 15.825 -1.233 -29.069 1.00 0.00 H new ATOM 294 N SER A 285 18.721 -0.697 -25.419 1.00 0.00 N ATOM 295 CA SER A 285 19.722 -0.223 -24.472 1.00 0.00 C ATOM 296 C SER A 285 19.064 0.070 -23.130 1.00 0.00 C ATOM 297 O SER A 285 18.260 -0.720 -22.638 1.00 0.00 O ATOM 298 CB SER A 285 20.415 1.035 -25.003 1.00 0.00 C ATOM 299 OG SER A 285 20.505 0.959 -26.420 1.00 0.00 O ATOM 0 H SER A 285 18.593 -1.709 -25.423 1.00 0.00 H new ATOM 0 HA SER A 285 20.475 -1.001 -24.342 1.00 0.00 H new ATOM 0 HB2 SER A 285 19.856 1.923 -24.710 1.00 0.00 H new ATOM 0 HB3 SER A 285 21.410 1.127 -24.568 1.00 0.00 H new ATOM 0 HG SER A 285 19.846 1.563 -26.822 1.00 0.00 H new ATOM 305 N ASN A 286 19.401 1.210 -22.550 1.00 0.00 N ATOM 306 CA ASN A 286 18.826 1.598 -21.270 1.00 0.00 C ATOM 307 C ASN A 286 17.307 1.668 -21.378 1.00 0.00 C ATOM 308 O ASN A 286 16.593 1.409 -20.409 1.00 0.00 O ATOM 309 CB ASN A 286 19.374 2.958 -20.837 1.00 0.00 C ATOM 310 CG ASN A 286 19.009 3.225 -19.380 1.00 0.00 C ATOM 311 OD1 ASN A 286 19.305 4.298 -18.854 1.00 0.00 O ATOM 312 ND2 ASN A 286 18.381 2.310 -18.696 1.00 0.00 N ATOM 0 H ASN A 286 20.064 1.879 -22.940 1.00 0.00 H new ATOM 0 HA ASN A 286 19.098 0.850 -20.525 1.00 0.00 H new ATOM 0 HB2 ASN A 286 20.457 2.979 -20.959 1.00 0.00 H new ATOM 0 HB3 ASN A 286 18.966 3.744 -21.473 1.00 0.00 H new ATOM 0 HD21 ASN A 286 18.133 2.482 -17.722 1.00 0.00 H new ATOM 0 HD22 ASN A 286 18.137 1.422 -19.135 1.00 0.00 H new ATOM 319 N VAL A 287 16.819 2.022 -22.565 1.00 0.00 N ATOM 320 CA VAL A 287 15.384 2.122 -22.787 1.00 0.00 C ATOM 321 C VAL A 287 14.720 0.769 -22.572 1.00 0.00 C ATOM 322 O VAL A 287 13.577 0.690 -22.123 1.00 0.00 O ATOM 323 CB VAL A 287 15.109 2.624 -24.204 1.00 0.00 C ATOM 324 CG1 VAL A 287 13.619 2.477 -24.520 1.00 0.00 C ATOM 325 CG2 VAL A 287 15.505 4.098 -24.304 1.00 0.00 C ATOM 0 H VAL A 287 17.393 2.242 -23.379 1.00 0.00 H new ATOM 0 HA VAL A 287 14.967 2.832 -22.072 1.00 0.00 H new ATOM 0 HB VAL A 287 15.690 2.038 -24.916 1.00 0.00 H new ATOM 0 HG11 VAL A 287 13.424 2.835 -25.531 1.00 0.00 H new ATOM 0 HG12 VAL A 287 13.333 1.428 -24.446 1.00 0.00 H new ATOM 0 HG13 VAL A 287 13.037 3.063 -23.809 1.00 0.00 H new ATOM 0 HG21 VAL A 287 15.310 4.459 -25.314 1.00 0.00 H new ATOM 0 HG22 VAL A 287 14.922 4.681 -23.591 1.00 0.00 H new ATOM 0 HG23 VAL A 287 16.566 4.206 -24.079 1.00 0.00 H new