USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=2 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+ 153:sc=-0.00899 (180deg=-0.524) USER MOD Single : A 16 ASN : amide:sc= -0.0239 K(o=-0.024,f=-0.75) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.122 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 140 N LEU A 11 13.801 -0.362 -3.089 1.00 0.00 N ATOM 141 CA LEU A 11 12.470 -0.974 -2.830 1.00 0.00 C ATOM 142 C LEU A 11 11.597 -0.027 -1.999 1.00 0.00 C ATOM 143 O LEU A 11 10.392 -0.003 -2.144 1.00 0.00 O ATOM 144 CB LEU A 11 12.675 -2.281 -2.074 1.00 0.00 C ATOM 145 CG LEU A 11 11.407 -3.127 -2.139 1.00 0.00 C ATOM 146 CD1 LEU A 11 11.014 -3.358 -3.600 1.00 0.00 C ATOM 147 CD2 LEU A 11 11.679 -4.470 -1.468 1.00 0.00 C ATOM 0 HA LEU A 11 11.966 -1.162 -3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 11 13.512 -2.832 -2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 11 12.930 -2.073 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 11 10.593 -2.612 -1.628 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.108 -3.963 -3.642 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.833 -2.398 -4.084 1.00 0.00 H new ATOM 0 HD13 LEU A 11 11.821 -3.878 -4.116 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.780 -5.085 -1.507 1.00 0.00 H new ATOM 0 HD22 LEU A 11 12.490 -4.979 -1.988 1.00 0.00 H new ATOM 0 HD23 LEU A 11 11.961 -4.307 -0.428 1.00 0.00 H new ATOM 159 N LYS A 12 12.183 0.753 -1.130 1.00 0.00 N ATOM 160 CA LYS A 12 11.363 1.686 -0.307 1.00 0.00 C ATOM 161 C LYS A 12 10.470 2.516 -1.228 1.00 0.00 C ATOM 162 O LYS A 12 9.326 2.789 -0.923 1.00 0.00 O ATOM 163 CB LYS A 12 12.284 2.614 0.486 1.00 0.00 C ATOM 164 CG LYS A 12 11.446 3.668 1.213 1.00 0.00 C ATOM 165 CD LYS A 12 11.947 5.065 0.843 1.00 0.00 C ATOM 166 CE LYS A 12 10.754 6.006 0.666 1.00 0.00 C ATOM 167 NZ LYS A 12 10.624 6.377 -0.771 1.00 0.00 N ATOM 0 H LYS A 12 13.188 0.784 -0.956 1.00 0.00 H new ATOM 0 HA LYS A 12 10.744 1.116 0.386 1.00 0.00 H new ATOM 0 HB2 LYS A 12 12.866 2.038 1.205 1.00 0.00 H new ATOM 0 HB3 LYS A 12 12.994 3.098 -0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.396 3.563 0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.512 3.520 2.291 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.609 5.443 1.622 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.529 5.022 -0.077 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.841 5.522 1.012 1.00 0.00 H new ATOM 0 HE3 LYS A 12 10.890 6.901 1.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.632 6.606 -0.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 11.221 7.205 -0.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.929 5.579 -1.364 1.00 0.00 H new ATOM 181 N GLU A 13 10.984 2.912 -2.358 1.00 0.00 N ATOM 182 CA GLU A 13 10.169 3.717 -3.309 1.00 0.00 C ATOM 183 C GLU A 13 9.095 2.821 -3.929 1.00 0.00 C ATOM 184 O GLU A 13 8.012 3.266 -4.254 1.00 0.00 O ATOM 185 CB GLU A 13 11.073 4.269 -4.414 1.00 0.00 C ATOM 186 CG GLU A 13 10.956 5.794 -4.455 1.00 0.00 C ATOM 187 CD GLU A 13 9.479 6.193 -4.464 1.00 0.00 C ATOM 188 OE1 GLU A 13 8.733 5.612 -5.235 1.00 0.00 O ATOM 189 OE2 GLU A 13 9.119 7.073 -3.699 1.00 0.00 O ATOM 0 H GLU A 13 11.936 2.712 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 13 9.697 4.545 -2.781 1.00 0.00 H new ATOM 0 HB2 GLU A 13 12.107 3.978 -4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 13 10.788 3.846 -5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 13 11.456 6.231 -3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 13 11.454 6.184 -5.343 1.00 0.00 H new ATOM 196 N PHE A 14 9.389 1.559 -4.100 1.00 0.00 N ATOM 197 CA PHE A 14 8.390 0.633 -4.702 1.00 0.00 C ATOM 198 C PHE A 14 7.176 0.505 -3.780 1.00 0.00 C ATOM 199 O PHE A 14 6.044 0.571 -4.216 1.00 0.00 O ATOM 200 CB PHE A 14 9.023 -0.744 -4.904 1.00 0.00 C ATOM 201 CG PHE A 14 7.998 -1.688 -5.484 1.00 0.00 C ATOM 202 CD1 PHE A 14 7.772 -1.714 -6.865 1.00 0.00 C ATOM 203 CD2 PHE A 14 7.272 -2.538 -4.640 1.00 0.00 C ATOM 204 CE1 PHE A 14 6.821 -2.590 -7.403 1.00 0.00 C ATOM 205 CE2 PHE A 14 6.321 -3.414 -5.178 1.00 0.00 C ATOM 206 CZ PHE A 14 6.096 -3.440 -6.559 1.00 0.00 C ATOM 0 H PHE A 14 10.280 1.131 -3.848 1.00 0.00 H new ATOM 0 HA PHE A 14 8.070 1.032 -5.664 1.00 0.00 H new ATOM 0 HB2 PHE A 14 9.881 -0.667 -5.571 1.00 0.00 H new ATOM 0 HB3 PHE A 14 9.392 -1.130 -3.954 1.00 0.00 H new ATOM 0 HD1 PHE A 14 8.331 -1.058 -7.516 1.00 0.00 H new ATOM 0 HD2 PHE A 14 7.446 -2.518 -3.574 1.00 0.00 H new ATOM 0 HE1 PHE A 14 6.647 -2.610 -8.469 1.00 0.00 H new ATOM 0 HE2 PHE A 14 5.761 -4.069 -4.527 1.00 0.00 H new ATOM 0 HZ PHE A 14 5.363 -4.116 -6.974 1.00 0.00 H new ATOM 216 N GLY A 15 7.402 0.327 -2.509 1.00 0.00 N ATOM 217 CA GLY A 15 6.261 0.201 -1.560 1.00 0.00 C ATOM 218 C GLY A 15 5.669 1.587 -1.300 1.00 0.00 C ATOM 219 O GLY A 15 4.714 1.742 -0.567 1.00 0.00 O ATOM 0 H GLY A 15 8.328 0.263 -2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.500 -0.461 -1.973 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.598 -0.245 -0.624 1.00 0.00 H new ATOM 223 N ASN A 16 6.241 2.595 -1.894 1.00 0.00 N ATOM 224 CA ASN A 16 5.738 3.973 -1.695 1.00 0.00 C ATOM 225 C ASN A 16 4.716 4.314 -2.785 1.00 0.00 C ATOM 226 O ASN A 16 3.605 4.715 -2.507 1.00 0.00 O ATOM 227 CB ASN A 16 6.917 4.940 -1.775 1.00 0.00 C ATOM 228 CG ASN A 16 6.507 6.301 -1.211 1.00 0.00 C ATOM 229 OD1 ASN A 16 5.713 7.004 -1.805 1.00 0.00 O ATOM 230 ND2 ASN A 16 7.018 6.707 -0.081 1.00 0.00 N ATOM 0 H ASN A 16 7.046 2.517 -2.516 1.00 0.00 H new ATOM 0 HA ASN A 16 5.255 4.054 -0.721 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.764 4.543 -1.215 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.242 5.047 -2.810 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.751 7.613 0.303 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.684 6.118 0.418 1.00 0.00 H new ATOM 237 N THR A 17 5.091 4.161 -4.025 1.00 0.00 N ATOM 238 CA THR A 17 4.156 4.476 -5.142 1.00 0.00 C ATOM 239 C THR A 17 2.918 3.561 -5.060 1.00 0.00 C ATOM 240 O THR A 17 2.322 3.429 -4.011 1.00 0.00 O ATOM 241 CB THR A 17 4.906 4.285 -6.467 1.00 0.00 C ATOM 242 OG1 THR A 17 4.096 4.730 -7.547 1.00 0.00 O ATOM 243 CG2 THR A 17 5.265 2.808 -6.654 1.00 0.00 C ATOM 0 H THR A 17 6.011 3.829 -4.314 1.00 0.00 H new ATOM 0 HA THR A 17 3.809 5.507 -5.075 1.00 0.00 H new ATOM 0 HB THR A 17 5.824 4.872 -6.446 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.580 4.608 -8.391 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.797 2.679 -7.597 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.900 2.481 -5.831 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.353 2.211 -6.668 1.00 0.00 H new ATOM 251 N LEU A 18 2.527 2.955 -6.161 1.00 0.00 N ATOM 252 CA LEU A 18 1.328 2.053 -6.199 1.00 0.00 C ATOM 253 C LEU A 18 0.963 1.518 -4.808 1.00 0.00 C ATOM 254 O LEU A 18 -0.185 1.519 -4.435 1.00 0.00 O ATOM 255 CB LEU A 18 1.635 0.879 -7.136 1.00 0.00 C ATOM 256 CG LEU A 18 0.614 -0.243 -6.928 1.00 0.00 C ATOM 257 CD1 LEU A 18 0.524 -1.092 -8.198 1.00 0.00 C ATOM 258 CD2 LEU A 18 1.060 -1.125 -5.759 1.00 0.00 C ATOM 0 H LEU A 18 3.003 3.052 -7.058 1.00 0.00 H new ATOM 0 HA LEU A 18 0.475 2.628 -6.558 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.611 1.215 -8.173 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.641 0.505 -6.945 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.362 0.189 -6.709 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.203 -1.891 -8.051 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.210 -0.466 -9.033 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.500 -1.525 -8.416 1.00 0.00 H new ATOM 0 HD21 LEU A 18 0.335 -1.925 -5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.036 -1.557 -5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.128 -0.522 -4.853 1.00 0.00 H new ATOM 270 N GLU A 19 1.911 1.048 -4.044 1.00 0.00 N ATOM 271 CA GLU A 19 1.571 0.508 -2.690 1.00 0.00 C ATOM 272 C GLU A 19 0.660 1.484 -1.942 1.00 0.00 C ATOM 273 O GLU A 19 -0.487 1.193 -1.674 1.00 0.00 O ATOM 274 CB GLU A 19 2.851 0.292 -1.882 1.00 0.00 C ATOM 275 CG GLU A 19 2.912 -1.161 -1.410 1.00 0.00 C ATOM 276 CD GLU A 19 4.043 -1.322 -0.393 1.00 0.00 C ATOM 277 OE1 GLU A 19 4.073 -0.557 0.556 1.00 0.00 O ATOM 278 OE2 GLU A 19 4.861 -2.209 -0.581 1.00 0.00 O ATOM 0 H GLU A 19 2.900 1.013 -4.293 1.00 0.00 H new ATOM 0 HA GLU A 19 1.051 -0.442 -2.815 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.724 0.525 -2.492 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.872 0.966 -1.025 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.961 -1.448 -0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.076 -1.824 -2.260 1.00 0.00 H new ATOM 285 N ASP A 20 1.160 2.635 -1.594 1.00 0.00 N ATOM 286 CA ASP A 20 0.312 3.619 -0.858 1.00 0.00 C ATOM 287 C ASP A 20 -1.041 3.735 -1.559 1.00 0.00 C ATOM 288 O ASP A 20 -2.051 4.024 -0.947 1.00 0.00 O ATOM 289 CB ASP A 20 1.001 4.985 -0.849 1.00 0.00 C ATOM 290 CG ASP A 20 0.929 5.585 0.556 1.00 0.00 C ATOM 291 OD1 ASP A 20 1.157 4.852 1.504 1.00 0.00 O ATOM 292 OD2 ASP A 20 0.646 6.767 0.660 1.00 0.00 O ATOM 0 H ASP A 20 2.115 2.939 -1.785 1.00 0.00 H new ATOM 0 HA ASP A 20 0.168 3.283 0.169 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.041 4.881 -1.159 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.520 5.651 -1.565 1.00 0.00 H new ATOM 297 N LYS A 21 -1.064 3.507 -2.841 1.00 0.00 N ATOM 298 CA LYS A 21 -2.345 3.594 -3.601 1.00 0.00 C ATOM 299 C LYS A 21 -3.254 2.438 -3.182 1.00 0.00 C ATOM 300 O LYS A 21 -4.428 2.614 -2.925 1.00 0.00 O ATOM 301 CB LYS A 21 -2.055 3.506 -5.105 1.00 0.00 C ATOM 302 CG LYS A 21 -3.302 3.916 -5.890 1.00 0.00 C ATOM 303 CD LYS A 21 -3.918 2.682 -6.552 1.00 0.00 C ATOM 304 CE LYS A 21 -4.431 3.051 -7.945 1.00 0.00 C ATOM 305 NZ LYS A 21 -3.587 2.386 -8.978 1.00 0.00 N ATOM 0 H LYS A 21 -0.247 3.263 -3.400 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.838 4.542 -3.387 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.219 4.156 -5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.763 2.490 -5.371 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.027 4.384 -5.223 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.041 4.656 -6.647 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.176 1.887 -6.625 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.736 2.299 -5.942 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -5.470 2.742 -8.055 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.404 4.132 -8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.936 2.637 -9.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.601 2.702 -8.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.634 1.355 -8.854 1.00 0.00 H new ATOM 319 N ALA A 22 -2.708 1.260 -3.100 1.00 0.00 N ATOM 320 CA ALA A 22 -3.513 0.082 -2.685 1.00 0.00 C ATOM 321 C ALA A 22 -4.172 0.391 -1.346 1.00 0.00 C ATOM 322 O ALA A 22 -5.349 0.160 -1.150 1.00 0.00 O ATOM 323 CB ALA A 22 -2.589 -1.131 -2.541 1.00 0.00 C ATOM 0 H ALA A 22 -1.729 1.061 -3.305 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.278 -0.137 -3.430 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -3.173 -1.999 -2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.106 -1.336 -3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.830 -0.922 -1.787 1.00 0.00 H new ATOM 329 N TRP A 23 -3.424 0.931 -0.429 1.00 0.00 N ATOM 330 CA TRP A 23 -3.987 1.280 0.882 1.00 0.00 C ATOM 331 C TRP A 23 -5.004 2.402 0.688 1.00 0.00 C ATOM 332 O TRP A 23 -5.997 2.488 1.383 1.00 0.00 O ATOM 333 CB TRP A 23 -2.843 1.755 1.762 1.00 0.00 C ATOM 334 CG TRP A 23 -2.575 0.742 2.819 1.00 0.00 C ATOM 335 CD1 TRP A 23 -1.694 -0.277 2.714 1.00 0.00 C ATOM 336 CD2 TRP A 23 -3.180 0.632 4.129 1.00 0.00 C ATOM 337 NE1 TRP A 23 -1.718 -1.007 3.891 1.00 0.00 N ATOM 338 CE2 TRP A 23 -2.623 -0.482 4.796 1.00 0.00 C ATOM 339 CE3 TRP A 23 -4.149 1.391 4.793 1.00 0.00 C ATOM 340 CZ2 TRP A 23 -3.019 -0.831 6.087 1.00 0.00 C ATOM 341 CZ3 TRP A 23 -4.555 1.047 6.093 1.00 0.00 C ATOM 342 CH2 TRP A 23 -3.990 -0.063 6.740 1.00 0.00 C ATOM 0 H TRP A 23 -2.433 1.145 -0.543 1.00 0.00 H new ATOM 0 HA TRP A 23 -4.482 0.427 1.346 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -1.948 1.913 1.160 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -3.094 2.713 2.217 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -1.074 -0.487 1.855 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -1.141 -1.829 4.068 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -4.588 2.247 4.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -2.580 -1.687 6.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.305 1.639 6.597 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -4.304 -0.324 7.740 1.00 0.00 H new ATOM 353 N GLU A 24 -4.765 3.256 -0.271 1.00 0.00 N ATOM 354 CA GLU A 24 -5.711 4.365 -0.540 1.00 0.00 C ATOM 355 C GLU A 24 -7.040 3.772 -1.003 1.00 0.00 C ATOM 356 O GLU A 24 -8.087 4.372 -0.862 1.00 0.00 O ATOM 357 CB GLU A 24 -5.137 5.253 -1.640 1.00 0.00 C ATOM 358 CG GLU A 24 -6.055 6.457 -1.859 1.00 0.00 C ATOM 359 CD GLU A 24 -5.216 7.673 -2.257 1.00 0.00 C ATOM 360 OE1 GLU A 24 -4.450 8.136 -1.429 1.00 0.00 O ATOM 361 OE2 GLU A 24 -5.354 8.120 -3.384 1.00 0.00 O ATOM 0 H GLU A 24 -3.948 3.228 -0.881 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.865 4.958 0.361 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.138 5.590 -1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.038 4.685 -2.565 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.784 6.235 -2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.615 6.671 -0.949 1.00 0.00 H new ATOM 368 N VAL A 25 -6.999 2.590 -1.554 1.00 0.00 N ATOM 369 CA VAL A 25 -8.243 1.937 -2.030 1.00 0.00 C ATOM 370 C VAL A 25 -9.000 1.377 -0.825 1.00 0.00 C ATOM 371 O VAL A 25 -10.206 1.230 -0.850 1.00 0.00 O ATOM 372 CB VAL A 25 -7.863 0.811 -2.996 1.00 0.00 C ATOM 373 CG1 VAL A 25 -8.994 -0.212 -3.085 1.00 0.00 C ATOM 374 CG2 VAL A 25 -7.604 1.400 -4.384 1.00 0.00 C ATOM 0 H VAL A 25 -6.147 2.047 -1.694 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.883 2.652 -2.547 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.964 0.316 -2.629 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.712 -1.007 -3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.179 -0.636 -2.098 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.899 0.277 -3.446 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.333 0.601 -5.074 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.505 1.898 -4.742 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -6.789 2.121 -4.327 1.00 0.00 H new ATOM 384 N ILE A 26 -8.303 1.071 0.232 1.00 0.00 N ATOM 385 CA ILE A 26 -8.985 0.536 1.437 1.00 0.00 C ATOM 386 C ILE A 26 -9.948 1.596 1.965 1.00 0.00 C ATOM 387 O ILE A 26 -10.857 1.310 2.715 1.00 0.00 O ATOM 388 CB ILE A 26 -7.947 0.216 2.505 1.00 0.00 C ATOM 389 CG1 ILE A 26 -6.995 -0.849 1.970 1.00 0.00 C ATOM 390 CG2 ILE A 26 -8.646 -0.307 3.761 1.00 0.00 C ATOM 391 CD1 ILE A 26 -5.725 -0.862 2.818 1.00 0.00 C ATOM 0 H ILE A 26 -7.291 1.169 0.312 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.533 -0.372 1.184 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.388 1.118 2.756 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.474 -1.828 1.997 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.749 -0.643 0.928 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.901 -0.535 4.524 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -9.331 0.452 4.139 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -9.204 -1.211 3.517 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -5.042 -1.622 2.439 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -5.244 0.115 2.768 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.981 -1.088 3.853 1.00 0.00 H new ATOM 403 N ASN A 27 -9.746 2.824 1.576 1.00 0.00 N ATOM 404 CA ASN A 27 -10.643 3.917 2.047 1.00 0.00 C ATOM 405 C ASN A 27 -11.830 4.055 1.091 1.00 0.00 C ATOM 406 O ASN A 27 -12.866 4.581 1.448 1.00 0.00 O ATOM 407 CB ASN A 27 -9.864 5.233 2.088 1.00 0.00 C ATOM 408 CG ASN A 27 -9.774 5.730 3.532 1.00 0.00 C ATOM 409 OD1 ASN A 27 -10.769 6.099 4.123 1.00 0.00 O ATOM 410 ND2 ASN A 27 -8.614 5.754 4.130 1.00 0.00 N ATOM 0 H ASN A 27 -8.996 3.119 0.950 1.00 0.00 H new ATOM 0 HA ASN A 27 -11.010 3.680 3.046 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.864 5.088 1.679 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.358 5.979 1.466 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.543 6.082 5.093 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -7.778 5.444 3.634 1.00 0.00 H new ATOM 417 N ARG A 28 -11.696 3.579 -0.117 1.00 0.00 N ATOM 418 CA ARG A 28 -12.828 3.680 -1.082 1.00 0.00 C ATOM 419 C ARG A 28 -13.669 2.408 -0.989 1.00 0.00 C ATOM 420 O ARG A 28 -14.797 2.356 -1.439 1.00 0.00 O ATOM 421 CB ARG A 28 -12.287 3.834 -2.507 1.00 0.00 C ATOM 422 CG ARG A 28 -11.659 2.513 -2.973 1.00 0.00 C ATOM 423 CD ARG A 28 -12.304 2.076 -4.292 1.00 0.00 C ATOM 424 NE ARG A 28 -13.753 1.837 -4.071 1.00 0.00 N ATOM 425 CZ ARG A 28 -14.354 0.849 -4.677 1.00 0.00 C ATOM 426 NH1 ARG A 28 -13.854 0.359 -5.779 1.00 0.00 N ATOM 427 NH2 ARG A 28 -15.454 0.352 -4.182 1.00 0.00 N ATOM 0 H ARG A 28 -10.856 3.126 -0.476 1.00 0.00 H new ATOM 0 HA ARG A 28 -13.439 4.550 -0.841 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -13.093 4.122 -3.182 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.544 4.631 -2.539 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.584 2.636 -3.105 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.801 1.743 -2.214 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -12.162 2.844 -5.052 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.826 1.169 -4.662 1.00 0.00 H new ATOM 0 HE ARG A 28 -14.280 2.446 -3.445 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.994 0.748 -6.166 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -14.323 -0.413 -6.253 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -15.845 0.735 -3.321 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -15.923 -0.420 -4.656 1.00 0.00 H new ATOM 441 N ILE A 29 -13.116 1.381 -0.411 1.00 0.00 N ATOM 442 CA ILE A 29 -13.853 0.097 -0.280 1.00 0.00 C ATOM 443 C ILE A 29 -14.296 -0.089 1.171 1.00 0.00 C ATOM 444 O ILE A 29 -15.328 -0.666 1.453 1.00 0.00 O ATOM 445 CB ILE A 29 -12.914 -1.042 -0.670 1.00 0.00 C ATOM 446 CG1 ILE A 29 -12.732 -1.046 -2.188 1.00 0.00 C ATOM 447 CG2 ILE A 29 -13.505 -2.379 -0.225 1.00 0.00 C ATOM 448 CD1 ILE A 29 -11.457 -1.811 -2.549 1.00 0.00 C ATOM 0 H ILE A 29 -12.174 1.377 -0.020 1.00 0.00 H new ATOM 0 HA ILE A 29 -14.730 0.101 -0.927 1.00 0.00 H new ATOM 0 HB ILE A 29 -11.950 -0.898 -0.183 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -13.594 -1.510 -2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -12.672 -0.023 -2.560 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -12.830 -3.187 -0.507 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -13.637 -2.377 0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -14.471 -2.529 -0.708 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.328 -1.813 -3.631 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.598 -1.328 -2.082 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.535 -2.837 -2.191 1.00 0.00 H new ATOM 460 N LYS A 30 -13.509 0.386 2.092 1.00 0.00 N ATOM 461 CA LYS A 30 -13.858 0.233 3.533 1.00 0.00 C ATOM 462 C LYS A 30 -15.058 1.116 3.874 1.00 0.00 C ATOM 463 O LYS A 30 -15.882 0.762 4.694 1.00 0.00 O ATOM 464 CB LYS A 30 -12.664 0.641 4.398 1.00 0.00 C ATOM 465 CG LYS A 30 -12.996 0.399 5.872 1.00 0.00 C ATOM 466 CD LYS A 30 -11.725 -0.003 6.623 1.00 0.00 C ATOM 467 CE LYS A 30 -11.938 -1.359 7.297 1.00 0.00 C ATOM 468 NZ LYS A 30 -11.994 -1.176 8.775 1.00 0.00 N ATOM 0 H LYS A 30 -12.634 0.877 1.910 1.00 0.00 H new ATOM 0 HA LYS A 30 -14.111 -0.809 3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -11.782 0.067 4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -12.426 1.692 4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.421 1.301 6.313 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -13.748 -0.385 5.962 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -10.883 -0.056 5.932 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -11.477 0.751 7.370 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -12.863 -1.813 6.941 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.127 -2.039 7.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -12.139 -2.098 9.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.100 -0.760 9.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -12.782 -0.542 9.017 1.00 0.00 H new