USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 173 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 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0.241 K(o=0.24,f=-2.1!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0812 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.333 K(o=-0.33,f=-2.6!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 140 N LEU A 11 13.973 0.270 1.267 1.00 0.00 N ATOM 141 CA LEU A 11 12.676 0.451 1.976 1.00 0.00 C ATOM 142 C LEU A 11 11.723 1.274 1.109 1.00 0.00 C ATOM 143 O LEU A 11 10.559 0.954 0.981 1.00 0.00 O ATOM 144 CB LEU A 11 12.919 1.167 3.303 1.00 0.00 C ATOM 145 CG LEU A 11 11.784 0.849 4.277 1.00 0.00 C ATOM 146 CD1 LEU A 11 10.438 1.062 3.584 1.00 0.00 C ATOM 147 CD2 LEU A 11 11.897 -0.609 4.731 1.00 0.00 C ATOM 0 HA LEU A 11 12.228 -0.524 2.168 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.873 0.853 3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.981 2.243 3.140 1.00 0.00 H new ATOM 0 HG LEU A 11 11.854 1.508 5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 11 9.630 0.835 4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.356 2.099 3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.366 0.404 2.718 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.089 -0.838 5.426 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.828 -1.266 3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.855 -0.762 5.227 1.00 0.00 H new ATOM 159 N LYS A 12 12.200 2.328 0.505 1.00 0.00 N ATOM 160 CA LYS A 12 11.303 3.147 -0.355 1.00 0.00 C ATOM 161 C LYS A 12 10.656 2.233 -1.392 1.00 0.00 C ATOM 162 O LYS A 12 9.498 2.376 -1.730 1.00 0.00 O ATOM 163 CB LYS A 12 12.115 4.234 -1.060 1.00 0.00 C ATOM 164 CG LYS A 12 11.189 5.074 -1.942 1.00 0.00 C ATOM 165 CD LYS A 12 11.673 5.016 -3.392 1.00 0.00 C ATOM 166 CE LYS A 12 11.327 6.327 -4.099 1.00 0.00 C ATOM 167 NZ LYS A 12 12.549 7.173 -4.203 1.00 0.00 N ATOM 0 H LYS A 12 13.164 2.655 0.569 1.00 0.00 H new ATOM 0 HA LYS A 12 10.534 3.622 0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.608 4.869 -0.324 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.899 3.781 -1.666 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.167 4.701 -1.874 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.175 6.107 -1.593 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.750 4.848 -3.421 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.206 4.178 -3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.928 6.122 -5.092 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.551 6.857 -3.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 12.314 8.065 -4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.911 7.378 -3.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.276 6.667 -4.748 1.00 0.00 H new ATOM 181 N GLU A 13 11.398 1.283 -1.887 1.00 0.00 N ATOM 182 CA GLU A 13 10.836 0.341 -2.891 1.00 0.00 C ATOM 183 C GLU A 13 9.864 -0.612 -2.189 1.00 0.00 C ATOM 184 O GLU A 13 8.915 -1.089 -2.777 1.00 0.00 O ATOM 185 CB GLU A 13 11.971 -0.466 -3.526 1.00 0.00 C ATOM 186 CG GLU A 13 11.966 -0.249 -5.041 1.00 0.00 C ATOM 187 CD GLU A 13 11.915 1.250 -5.342 1.00 0.00 C ATOM 188 OE1 GLU A 13 12.966 1.870 -5.348 1.00 0.00 O ATOM 189 OE2 GLU A 13 10.826 1.753 -5.562 1.00 0.00 O ATOM 0 H GLU A 13 12.373 1.119 -1.638 1.00 0.00 H new ATOM 0 HA GLU A 13 10.312 0.898 -3.667 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.929 -0.158 -3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 13 11.849 -1.525 -3.299 1.00 0.00 H new ATOM 0 HG2 GLU A 13 12.859 -0.690 -5.485 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.107 -0.750 -5.488 1.00 0.00 H new ATOM 196 N PHE A 14 10.097 -0.897 -0.933 1.00 0.00 N ATOM 197 CA PHE A 14 9.190 -1.820 -0.195 1.00 0.00 C ATOM 198 C PHE A 14 7.802 -1.191 -0.062 1.00 0.00 C ATOM 199 O PHE A 14 6.795 -1.832 -0.287 1.00 0.00 O ATOM 200 CB PHE A 14 9.760 -2.094 1.197 1.00 0.00 C ATOM 201 CG PHE A 14 8.839 -3.030 1.942 1.00 0.00 C ATOM 202 CD1 PHE A 14 8.663 -4.345 1.494 1.00 0.00 C ATOM 203 CD2 PHE A 14 8.159 -2.583 3.082 1.00 0.00 C ATOM 204 CE1 PHE A 14 7.809 -5.212 2.186 1.00 0.00 C ATOM 205 CE2 PHE A 14 7.305 -3.450 3.774 1.00 0.00 C ATOM 206 CZ PHE A 14 7.130 -4.765 3.325 1.00 0.00 C ATOM 0 H PHE A 14 10.877 -0.529 -0.389 1.00 0.00 H new ATOM 0 HA PHE A 14 9.108 -2.756 -0.747 1.00 0.00 H new ATOM 0 HB2 PHE A 14 10.754 -2.534 1.115 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.869 -1.160 1.747 1.00 0.00 H new ATOM 0 HD1 PHE A 14 9.186 -4.690 0.615 1.00 0.00 H new ATOM 0 HD2 PHE A 14 8.294 -1.569 3.427 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.674 -6.226 1.841 1.00 0.00 H new ATOM 0 HE2 PHE A 14 6.782 -3.105 4.653 1.00 0.00 H new ATOM 0 HZ PHE A 14 6.471 -5.434 3.858 1.00 0.00 H new ATOM 216 N GLY A 15 7.740 0.061 0.297 1.00 0.00 N ATOM 217 CA GLY A 15 6.416 0.731 0.438 1.00 0.00 C ATOM 218 C GLY A 15 5.874 1.068 -0.951 1.00 0.00 C ATOM 219 O GLY A 15 4.797 1.610 -1.098 1.00 0.00 O ATOM 0 H GLY A 15 8.548 0.649 0.499 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.719 0.079 0.965 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.516 1.639 1.033 1.00 0.00 H new ATOM 223 N ASN A 16 6.623 0.756 -1.970 1.00 0.00 N ATOM 224 CA ASN A 16 6.180 1.052 -3.353 1.00 0.00 C ATOM 225 C ASN A 16 5.452 -0.164 -3.937 1.00 0.00 C ATOM 226 O ASN A 16 4.331 -0.070 -4.393 1.00 0.00 O ATOM 227 CB ASN A 16 7.412 1.368 -4.200 1.00 0.00 C ATOM 228 CG ASN A 16 6.981 2.040 -5.504 1.00 0.00 C ATOM 229 OD1 ASN A 16 5.804 2.194 -5.762 1.00 0.00 O ATOM 230 ND2 ASN A 16 7.892 2.451 -6.344 1.00 0.00 N ATOM 0 H ASN A 16 7.534 0.303 -1.899 1.00 0.00 H new ATOM 0 HA ASN A 16 5.498 1.902 -3.351 1.00 0.00 H new ATOM 0 HB2 ASN A 16 8.087 2.022 -3.648 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.962 0.452 -4.416 1.00 0.00 H new ATOM 0 HD21 ASN A 16 7.615 2.901 -7.216 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.880 2.322 -6.128 1.00 0.00 H new ATOM 237 N THR A 17 6.088 -1.302 -3.930 1.00 0.00 N ATOM 238 CA THR A 17 5.452 -2.529 -4.486 1.00 0.00 C ATOM 239 C THR A 17 4.167 -2.857 -3.699 1.00 0.00 C ATOM 240 O THR A 17 3.326 -2.002 -3.513 1.00 0.00 O ATOM 241 CB THR A 17 6.468 -3.677 -4.406 1.00 0.00 C ATOM 242 OG1 THR A 17 5.942 -4.832 -5.045 1.00 0.00 O ATOM 243 CG2 THR A 17 6.788 -3.987 -2.941 1.00 0.00 C ATOM 0 H THR A 17 7.029 -1.436 -3.560 1.00 0.00 H new ATOM 0 HA THR A 17 5.168 -2.377 -5.527 1.00 0.00 H new ATOM 0 HB THR A 17 7.386 -3.379 -4.913 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.595 -5.561 -4.993 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.509 -4.803 -2.891 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.208 -3.101 -2.465 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.874 -4.278 -2.423 1.00 0.00 H new ATOM 251 N LEU A 18 4.010 -4.088 -3.263 1.00 0.00 N ATOM 252 CA LEU A 18 2.792 -4.520 -2.502 1.00 0.00 C ATOM 253 C LEU A 18 2.079 -3.338 -1.831 1.00 0.00 C ATOM 254 O LEU A 18 0.877 -3.245 -1.877 1.00 0.00 O ATOM 255 CB LEU A 18 3.220 -5.532 -1.434 1.00 0.00 C ATOM 256 CG LEU A 18 2.091 -5.737 -0.421 1.00 0.00 C ATOM 257 CD1 LEU A 18 2.240 -7.110 0.237 1.00 0.00 C ATOM 258 CD2 LEU A 18 2.167 -4.649 0.653 1.00 0.00 C ATOM 0 H LEU A 18 4.695 -4.830 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 18 2.089 -4.966 -3.205 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.475 -6.482 -1.904 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.116 -5.178 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 18 1.130 -5.680 -0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 18 1.436 -7.257 0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.189 -7.887 -0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.201 -7.166 0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.363 -4.794 1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.128 -4.708 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.063 -3.669 0.186 1.00 0.00 H new ATOM 270 N GLU A 19 2.793 -2.447 -1.200 1.00 0.00 N ATOM 271 CA GLU A 19 2.113 -1.295 -0.527 1.00 0.00 C ATOM 272 C GLU A 19 1.122 -0.632 -1.487 1.00 0.00 C ATOM 273 O GLU A 19 -0.075 -0.680 -1.287 1.00 0.00 O ATOM 274 CB GLU A 19 3.155 -0.267 -0.086 1.00 0.00 C ATOM 275 CG GLU A 19 3.003 -0.001 1.413 1.00 0.00 C ATOM 276 CD GLU A 19 3.871 1.194 1.811 1.00 0.00 C ATOM 277 OE1 GLU A 19 3.896 2.158 1.063 1.00 0.00 O ATOM 278 OE2 GLU A 19 4.494 1.126 2.858 1.00 0.00 O ATOM 0 H GLU A 19 3.810 -2.462 -1.119 1.00 0.00 H new ATOM 0 HA GLU A 19 1.573 -1.667 0.344 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.158 -0.634 -0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 19 3.028 0.660 -0.646 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.959 0.199 1.653 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.298 -0.883 1.981 1.00 0.00 H new ATOM 285 N ASP A 20 1.605 -0.006 -2.521 1.00 0.00 N ATOM 286 CA ASP A 20 0.678 0.660 -3.483 1.00 0.00 C ATOM 287 C ASP A 20 -0.459 -0.302 -3.830 1.00 0.00 C ATOM 288 O ASP A 20 -1.548 0.104 -4.185 1.00 0.00 O ATOM 289 CB ASP A 20 1.438 1.032 -4.757 1.00 0.00 C ATOM 290 CG ASP A 20 1.147 2.490 -5.119 1.00 0.00 C ATOM 291 OD1 ASP A 20 0.091 2.973 -4.745 1.00 0.00 O ATOM 292 OD2 ASP A 20 1.986 3.098 -5.763 1.00 0.00 O ATOM 0 H ASP A 20 2.597 0.075 -2.744 1.00 0.00 H new ATOM 0 HA ASP A 20 0.271 1.565 -3.031 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.508 0.890 -4.609 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.140 0.377 -5.575 1.00 0.00 H new ATOM 297 N LYS A 21 -0.208 -1.576 -3.726 1.00 0.00 N ATOM 298 CA LYS A 21 -1.264 -2.581 -4.043 1.00 0.00 C ATOM 299 C LYS A 21 -2.319 -2.571 -2.936 1.00 0.00 C ATOM 300 O LYS A 21 -3.507 -2.566 -3.191 1.00 0.00 O ATOM 301 CB LYS A 21 -0.630 -3.974 -4.140 1.00 0.00 C ATOM 302 CG LYS A 21 -1.618 -4.940 -4.797 1.00 0.00 C ATOM 303 CD LYS A 21 -0.847 -6.037 -5.534 1.00 0.00 C ATOM 304 CE LYS A 21 -0.819 -5.724 -7.032 1.00 0.00 C ATOM 305 NZ LYS A 21 0.490 -5.105 -7.386 1.00 0.00 N ATOM 0 H LYS A 21 0.687 -1.968 -3.434 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.734 -2.332 -4.994 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.290 -3.927 -4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.361 -4.333 -3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.267 -5.382 -4.041 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.260 -4.402 -5.494 1.00 0.00 H new ATOM 0 HD2 LYS A 21 0.170 -6.104 -5.147 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.318 -7.005 -5.363 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.969 -6.637 -7.608 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -1.634 -5.048 -7.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.509 -4.892 -8.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 0.615 -4.225 -6.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.260 -5.765 -7.156 1.00 0.00 H new ATOM 319 N ALA A 22 -1.887 -2.554 -1.709 1.00 0.00 N ATOM 320 CA ALA A 22 -2.842 -2.530 -0.571 1.00 0.00 C ATOM 321 C ALA A 22 -3.800 -1.360 -0.764 1.00 0.00 C ATOM 322 O ALA A 22 -5.001 -1.496 -0.640 1.00 0.00 O ATOM 323 CB ALA A 22 -2.061 -2.351 0.734 1.00 0.00 C ATOM 0 H ALA A 22 -0.902 -2.556 -1.443 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.405 -3.462 -0.528 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.755 -2.332 1.574 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -1.364 -3.180 0.858 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.507 -1.413 0.701 1.00 0.00 H new ATOM 329 N TRP A 23 -3.275 -0.215 -1.087 1.00 0.00 N ATOM 330 CA TRP A 23 -4.128 0.960 -1.313 1.00 0.00 C ATOM 331 C TRP A 23 -4.940 0.729 -2.586 1.00 0.00 C ATOM 332 O TRP A 23 -6.071 1.156 -2.704 1.00 0.00 O ATOM 333 CB TRP A 23 -3.214 2.162 -1.486 1.00 0.00 C ATOM 334 CG TRP A 23 -3.309 3.036 -0.285 1.00 0.00 C ATOM 335 CD1 TRP A 23 -2.511 2.955 0.802 1.00 0.00 C ATOM 336 CD2 TRP A 23 -4.243 4.112 -0.033 1.00 0.00 C ATOM 337 NE1 TRP A 23 -2.899 3.927 1.710 1.00 0.00 N ATOM 338 CE2 TRP A 23 -3.967 4.667 1.237 1.00 0.00 C ATOM 339 CE3 TRP A 23 -5.292 4.653 -0.784 1.00 0.00 C ATOM 340 CZ2 TRP A 23 -4.714 5.730 1.745 1.00 0.00 C ATOM 341 CZ3 TRP A 23 -6.050 5.723 -0.280 1.00 0.00 C ATOM 342 CH2 TRP A 23 -5.761 6.261 0.984 1.00 0.00 C ATOM 0 H TRP A 23 -2.275 -0.050 -1.204 1.00 0.00 H new ATOM 0 HA TRP A 23 -4.811 1.128 -0.480 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.185 1.832 -1.628 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -3.496 2.721 -2.379 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -1.705 2.250 0.940 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -2.452 4.078 2.615 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -5.521 4.245 -1.758 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -4.486 6.140 2.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -6.858 6.133 -0.867 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -6.346 7.083 1.368 1.00 0.00 H new ATOM 353 N GLU A 24 -4.367 0.038 -3.534 1.00 0.00 N ATOM 354 CA GLU A 24 -5.092 -0.248 -4.795 1.00 0.00 C ATOM 355 C GLU A 24 -6.293 -1.136 -4.478 1.00 0.00 C ATOM 356 O GLU A 24 -7.267 -1.172 -5.204 1.00 0.00 O ATOM 357 CB GLU A 24 -4.157 -0.978 -5.754 1.00 0.00 C ATOM 358 CG GLU A 24 -4.863 -1.198 -7.094 1.00 0.00 C ATOM 359 CD GLU A 24 -4.681 0.039 -7.975 1.00 0.00 C ATOM 360 OE1 GLU A 24 -3.572 0.254 -8.437 1.00 0.00 O ATOM 361 OE2 GLU A 24 -5.652 0.749 -8.174 1.00 0.00 O ATOM 0 H GLU A 24 -3.421 -0.341 -3.484 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.430 0.681 -5.255 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.247 -0.397 -5.902 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.858 -1.936 -5.328 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.454 -2.076 -7.593 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.924 -1.389 -6.931 1.00 0.00 H new ATOM 368 N VAL A 25 -6.226 -1.853 -3.390 1.00 0.00 N ATOM 369 CA VAL A 25 -7.348 -2.742 -3.004 1.00 0.00 C ATOM 370 C VAL A 25 -8.451 -1.899 -2.360 1.00 0.00 C ATOM 371 O VAL A 25 -9.611 -2.257 -2.381 1.00 0.00 O ATOM 372 CB VAL A 25 -6.826 -3.784 -2.011 1.00 0.00 C ATOM 373 CG1 VAL A 25 -7.985 -4.369 -1.206 1.00 0.00 C ATOM 374 CG2 VAL A 25 -6.125 -4.907 -2.778 1.00 0.00 C ATOM 0 H VAL A 25 -5.433 -1.858 -2.749 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.755 -3.250 -3.878 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.123 -3.306 -1.329 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.603 -5.109 -0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.486 -3.572 -0.657 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.695 -4.845 -1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -5.752 -5.651 -2.074 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.832 -5.377 -3.462 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -5.291 -4.494 -3.346 1.00 0.00 H new ATOM 384 N ILE A 26 -8.097 -0.781 -1.793 1.00 0.00 N ATOM 385 CA ILE A 26 -9.127 0.083 -1.160 1.00 0.00 C ATOM 386 C ILE A 26 -10.170 0.454 -2.213 1.00 0.00 C ATOM 387 O ILE A 26 -11.297 0.784 -1.902 1.00 0.00 O ATOM 388 CB ILE A 26 -8.467 1.351 -0.627 1.00 0.00 C ATOM 389 CG1 ILE A 26 -7.464 0.975 0.463 1.00 0.00 C ATOM 390 CG2 ILE A 26 -9.532 2.278 -0.040 1.00 0.00 C ATOM 391 CD1 ILE A 26 -6.520 2.151 0.711 1.00 0.00 C ATOM 0 H ILE A 26 -7.141 -0.430 -1.741 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.604 -0.447 -0.336 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.953 1.863 -1.440 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.989 0.716 1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.895 0.095 0.162 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -9.057 3.183 0.340 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -10.251 2.543 -0.815 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -10.048 1.770 0.774 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.804 1.885 1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.986 2.389 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.096 3.019 1.031 1.00 0.00 H new ATOM 403 N ASN A 27 -9.794 0.400 -3.461 1.00 0.00 N ATOM 404 CA ASN A 27 -10.750 0.746 -4.550 1.00 0.00 C ATOM 405 C ASN A 27 -11.651 -0.453 -4.848 1.00 0.00 C ATOM 406 O ASN A 27 -12.780 -0.299 -5.264 1.00 0.00 O ATOM 407 CB ASN A 27 -9.971 1.125 -5.811 1.00 0.00 C ATOM 408 CG ASN A 27 -10.944 1.612 -6.886 1.00 0.00 C ATOM 409 OD1 ASN A 27 -12.103 1.849 -6.610 1.00 0.00 O ATOM 410 ND2 ASN A 27 -10.518 1.774 -8.109 1.00 0.00 N ATOM 0 H ASN A 27 -8.862 0.130 -3.774 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.366 1.588 -4.234 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.245 1.905 -5.582 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -9.410 0.265 -6.176 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -11.158 2.100 -8.833 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.545 1.575 -8.341 1.00 0.00 H new ATOM 417 N ARG A 28 -11.171 -1.648 -4.637 1.00 0.00 N ATOM 418 CA ARG A 28 -12.023 -2.839 -4.913 1.00 0.00 C ATOM 419 C ARG A 28 -13.009 -3.022 -3.758 1.00 0.00 C ATOM 420 O ARG A 28 -14.105 -3.512 -3.932 1.00 0.00 O ATOM 421 CB ARG A 28 -11.148 -4.091 -5.059 1.00 0.00 C ATOM 422 CG ARG A 28 -10.405 -4.375 -3.750 1.00 0.00 C ATOM 423 CD ARG A 28 -10.438 -5.879 -3.462 1.00 0.00 C ATOM 424 NE ARG A 28 -11.850 -6.319 -3.330 1.00 0.00 N ATOM 425 CZ ARG A 28 -12.168 -7.257 -2.480 1.00 0.00 C ATOM 426 NH1 ARG A 28 -11.854 -8.498 -2.731 1.00 0.00 N ATOM 427 NH2 ARG A 28 -12.799 -6.953 -1.379 1.00 0.00 N ATOM 0 H ARG A 28 -10.234 -1.850 -4.288 1.00 0.00 H new ATOM 0 HA ARG A 28 -12.571 -2.689 -5.843 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -11.768 -4.947 -5.327 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -10.432 -3.950 -5.869 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -9.374 -4.030 -3.822 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.868 -3.826 -2.930 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.947 -6.427 -4.267 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.889 -6.098 -2.546 1.00 0.00 H new ATOM 0 HE ARG A 28 -12.573 -5.887 -3.905 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.360 -8.735 -3.591 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.102 -9.231 -2.067 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.044 -5.982 -1.183 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -13.048 -7.686 -0.715 1.00 0.00 H new ATOM 441 N ILE A 29 -12.613 -2.622 -2.583 1.00 0.00 N ATOM 442 CA ILE A 29 -13.485 -2.752 -1.379 1.00 0.00 C ATOM 443 C ILE A 29 -14.366 -1.517 -1.246 1.00 0.00 C ATOM 444 O ILE A 29 -15.392 -1.510 -0.599 1.00 0.00 O ATOM 445 CB ILE A 29 -12.567 -2.840 -0.163 1.00 0.00 C ATOM 446 CG1 ILE A 29 -11.945 -4.236 -0.099 1.00 0.00 C ATOM 447 CG2 ILE A 29 -13.342 -2.566 1.129 1.00 0.00 C ATOM 448 CD1 ILE A 29 -10.699 -4.200 0.787 1.00 0.00 C ATOM 0 H ILE A 29 -11.702 -2.201 -2.401 1.00 0.00 H new ATOM 0 HA ILE A 29 -14.122 -3.633 -1.460 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.786 -2.086 -0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.667 -4.949 0.299 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.682 -4.575 -1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -12.665 -2.635 1.981 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.774 -1.566 1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -14.139 -3.302 1.238 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.256 -5.195 0.832 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.976 -3.499 0.369 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.976 -3.880 1.791 1.00 0.00 H new ATOM 460 N LYS A 30 -13.929 -0.473 -1.829 1.00 0.00 N ATOM 461 CA LYS A 30 -14.666 0.818 -1.746 1.00 0.00 C ATOM 462 C LYS A 30 -15.635 0.965 -2.916 1.00 0.00 C ATOM 463 O LYS A 30 -16.640 1.640 -2.811 1.00 0.00 O ATOM 464 CB LYS A 30 -13.664 1.974 -1.772 1.00 0.00 C ATOM 465 CG LYS A 30 -14.417 3.304 -1.712 1.00 0.00 C ATOM 466 CD LYS A 30 -14.956 3.523 -0.297 1.00 0.00 C ATOM 467 CE LYS A 30 -14.007 4.440 0.476 1.00 0.00 C ATOM 468 NZ LYS A 30 -14.667 4.894 1.732 1.00 0.00 N ATOM 0 H LYS A 30 -13.071 -0.439 -2.379 1.00 0.00 H new ATOM 0 HA LYS A 30 -15.236 0.835 -0.817 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -12.978 1.894 -0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -13.061 1.926 -2.679 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.753 4.123 -1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -15.238 3.302 -2.429 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -15.951 3.966 -0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.054 2.567 0.218 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.083 3.911 0.709 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -13.736 5.300 -0.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -14.022 5.518 2.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -15.537 5.414 1.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -14.904 4.068 2.318 1.00 0.00 H new