USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 424 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 36 ASN : amide:sc= -0.977 K(o=-1.2,f=-16!) USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -120:sc= -1.31 USER MOD Single : A 23 CYS SG : rot -37:sc= -2.69 USER MOD Single : A 27 THR OG1 : rot -36:sc= 0.131 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.225 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 41:sc= 0.139 USER MOD Single : A 43 MET CE :methyl -159:sc= -0.592 (180deg=-3.03!) USER MOD Single : A 58 LYS NZ :NH3+ 156:sc= -0.0969 (180deg=-0.555) USER MOD Single : A 61 GLN : amide:sc= -0.0382 X(o=-0.038,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -0.538 K(o=-0.54,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 11 -5.607 -10.177 -6.378 1.00 0.00 N ATOM 121 CA PRO A 11 -6.818 -9.799 -5.644 1.00 0.00 C ATOM 122 C PRO A 11 -7.931 -10.831 -5.791 1.00 0.00 C ATOM 123 O PRO A 11 -7.928 -11.633 -6.725 1.00 0.00 O ATOM 124 CB PRO A 11 -7.227 -8.474 -6.292 1.00 0.00 C ATOM 125 CG PRO A 11 -6.651 -8.530 -7.665 1.00 0.00 C ATOM 126 CD PRO A 11 -5.370 -9.309 -7.544 1.00 0.00 C ATOM 0 HA PRO A 11 -6.638 -9.726 -4.571 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.311 -8.366 -6.322 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.837 -7.623 -5.733 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.339 -9.015 -8.358 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.464 -7.528 -8.051 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.167 -9.891 -8.443 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.514 -8.653 -7.389 1.00 0.00 H new ATOM 134 N VAL A 12 -8.883 -10.805 -4.863 1.00 0.00 N ATOM 135 CA VAL A 12 -10.003 -11.737 -4.891 1.00 0.00 C ATOM 136 C VAL A 12 -11.334 -10.995 -4.942 1.00 0.00 C ATOM 137 O VAL A 12 -12.355 -11.558 -5.336 1.00 0.00 O ATOM 138 CB VAL A 12 -9.992 -12.665 -3.662 1.00 0.00 C ATOM 139 CG1 VAL A 12 -8.797 -13.605 -3.713 1.00 0.00 C ATOM 140 CG2 VAL A 12 -9.984 -11.849 -2.379 1.00 0.00 C ATOM 0 H VAL A 12 -8.900 -10.148 -4.083 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.891 -12.339 -5.793 1.00 0.00 H new ATOM 0 HB VAL A 12 -10.899 -13.269 -3.676 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.806 -14.253 -2.837 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.852 -14.214 -4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -7.876 -13.022 -3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.976 -12.521 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.095 -11.218 -2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.875 -11.222 -2.341 1.00 0.00 H new ATOM 150 N ALA A 13 -11.315 -9.729 -4.541 1.00 0.00 N ATOM 151 CA ALA A 13 -12.520 -8.908 -4.543 1.00 0.00 C ATOM 152 C ALA A 13 -12.177 -7.430 -4.696 1.00 0.00 C ATOM 153 O ALA A 13 -11.294 -6.912 -4.012 1.00 0.00 O ATOM 154 CB ALA A 13 -13.317 -9.137 -3.267 1.00 0.00 C ATOM 0 H ALA A 13 -10.478 -9.249 -4.210 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.129 -9.203 -5.397 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.214 -8.518 -3.282 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.602 -10.187 -3.200 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.707 -8.871 -2.404 1.00 0.00 H new ATOM 160 N THR A 14 -12.881 -6.755 -5.600 1.00 0.00 N ATOM 161 CA THR A 14 -12.650 -5.337 -5.845 1.00 0.00 C ATOM 162 C THR A 14 -13.947 -4.543 -5.739 1.00 0.00 C ATOM 163 O THR A 14 -14.917 -4.825 -6.441 1.00 0.00 O ATOM 164 CB THR A 14 -12.028 -5.101 -7.234 1.00 0.00 C ATOM 165 OG1 THR A 14 -10.827 -5.868 -7.370 1.00 0.00 O ATOM 166 CG2 THR A 14 -11.721 -3.626 -7.446 1.00 0.00 C ATOM 0 H THR A 14 -13.616 -7.168 -6.174 1.00 0.00 H new ATOM 0 HA THR A 14 -11.953 -4.993 -5.081 1.00 0.00 H new ATOM 0 HB THR A 14 -12.748 -5.418 -7.989 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.439 -5.714 -8.256 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.282 -3.484 -8.434 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.642 -3.048 -7.371 1.00 0.00 H new ATOM 0 HG23 THR A 14 -11.018 -3.288 -6.685 1.00 0.00 H new ATOM 174 N ALA A 15 -13.956 -3.548 -4.858 1.00 0.00 N ATOM 175 CA ALA A 15 -15.133 -2.711 -4.663 1.00 0.00 C ATOM 176 C ALA A 15 -14.761 -1.232 -4.661 1.00 0.00 C ATOM 177 O ALA A 15 -13.964 -0.769 -3.845 1.00 0.00 O ATOM 178 CB ALA A 15 -15.836 -3.082 -3.366 1.00 0.00 C ATOM 0 H ALA A 15 -13.161 -3.302 -4.268 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.814 -2.886 -5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.713 -2.449 -3.234 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.145 -4.126 -3.406 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.154 -2.937 -2.528 1.00 0.00 H new ATOM 184 N PRO A 16 -15.350 -0.471 -5.595 1.00 0.00 N ATOM 185 CA PRO A 16 -15.095 0.967 -5.721 1.00 0.00 C ATOM 186 C PRO A 16 -15.683 1.764 -4.562 1.00 0.00 C ATOM 187 O PRO A 16 -16.863 1.628 -4.239 1.00 0.00 O ATOM 188 CB PRO A 16 -15.792 1.337 -7.033 1.00 0.00 C ATOM 189 CG PRO A 16 -16.859 0.310 -7.198 1.00 0.00 C ATOM 190 CD PRO A 16 -16.310 -0.956 -6.600 1.00 0.00 C ATOM 0 HA PRO A 16 -14.029 1.194 -5.710 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -16.213 2.341 -6.988 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.094 1.321 -7.870 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.776 0.615 -6.693 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.106 0.170 -8.250 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -17.096 -1.560 -6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.824 -1.578 -7.352 1.00 0.00 H new ATOM 198 N ILE A 17 -14.853 2.595 -3.940 1.00 0.00 N ATOM 199 CA ILE A 17 -15.293 3.415 -2.818 1.00 0.00 C ATOM 200 C ILE A 17 -16.162 4.575 -3.291 1.00 0.00 C ATOM 201 O ILE A 17 -15.868 5.237 -4.287 1.00 0.00 O ATOM 202 CB ILE A 17 -14.095 3.974 -2.027 1.00 0.00 C ATOM 203 CG1 ILE A 17 -13.264 2.831 -1.442 1.00 0.00 C ATOM 204 CG2 ILE A 17 -14.578 4.904 -0.924 1.00 0.00 C ATOM 205 CD1 ILE A 17 -12.350 3.263 -0.317 1.00 0.00 C ATOM 0 H ILE A 17 -13.873 2.718 -4.194 1.00 0.00 H new ATOM 0 HA ILE A 17 -15.880 2.769 -2.165 1.00 0.00 H new ATOM 0 HB ILE A 17 -13.463 4.545 -2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.936 2.055 -1.076 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.664 2.385 -2.236 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.721 5.291 -0.373 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -15.132 5.733 -1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -15.228 4.354 -0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.792 2.402 0.049 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.654 4.018 -0.683 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.945 3.682 0.495 1.00 0.00 H new ATOM 217 N PRO A 18 -17.258 4.829 -2.562 1.00 0.00 N ATOM 218 CA PRO A 18 -18.192 5.912 -2.886 1.00 0.00 C ATOM 219 C PRO A 18 -17.589 7.290 -2.640 1.00 0.00 C ATOM 220 O PRO A 18 -17.111 7.584 -1.545 1.00 0.00 O ATOM 221 CB PRO A 18 -19.366 5.664 -1.936 1.00 0.00 C ATOM 222 CG PRO A 18 -18.774 4.924 -0.787 1.00 0.00 C ATOM 223 CD PRO A 18 -17.670 4.080 -1.363 1.00 0.00 C ATOM 0 HA PRO A 18 -18.471 5.908 -3.940 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -19.818 6.602 -1.612 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -20.151 5.082 -2.420 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.387 5.613 -0.036 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -19.523 4.304 -0.295 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.846 3.962 -0.660 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -18.019 3.079 -1.615 1.00 0.00 H new ATOM 231 N GLY A 19 -17.614 8.134 -3.668 1.00 0.00 N ATOM 232 CA GLY A 19 -17.067 9.473 -3.542 1.00 0.00 C ATOM 233 C GLY A 19 -15.625 9.555 -4.000 1.00 0.00 C ATOM 234 O GLY A 19 -15.272 10.402 -4.821 1.00 0.00 O ATOM 0 H GLY A 19 -18.003 7.914 -4.585 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -17.671 10.166 -4.128 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -17.134 9.793 -2.502 1.00 0.00 H new ATOM 238 N THR A 20 -14.785 8.672 -3.467 1.00 0.00 N ATOM 239 CA THR A 20 -13.372 8.650 -3.823 1.00 0.00 C ATOM 240 C THR A 20 -13.091 7.598 -4.890 1.00 0.00 C ATOM 241 O THR A 20 -13.740 6.554 -4.954 1.00 0.00 O ATOM 242 CB THR A 20 -12.487 8.367 -2.594 1.00 0.00 C ATOM 243 OG1 THR A 20 -12.277 6.958 -2.456 1.00 0.00 O ATOM 244 CG2 THR A 20 -13.128 8.917 -1.329 1.00 0.00 C ATOM 0 H THR A 20 -15.060 7.963 -2.787 1.00 0.00 H new ATOM 0 HA THR A 20 -13.130 9.637 -4.216 1.00 0.00 H new ATOM 0 HB THR A 20 -11.528 8.863 -2.741 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.623 6.659 -1.589 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.486 8.706 -0.474 1.00 0.00 H new ATOM 0 HG22 THR A 20 -13.259 9.995 -1.427 1.00 0.00 H new ATOM 0 HG23 THR A 20 -14.099 8.445 -1.179 1.00 0.00 H new ATOM 252 N PRO A 21 -12.099 7.877 -5.750 1.00 0.00 N ATOM 253 CA PRO A 21 -11.708 6.966 -6.830 1.00 0.00 C ATOM 254 C PRO A 21 -11.032 5.703 -6.307 1.00 0.00 C ATOM 255 O PRO A 21 -10.727 4.788 -7.072 1.00 0.00 O ATOM 256 CB PRO A 21 -10.723 7.796 -7.656 1.00 0.00 C ATOM 257 CG PRO A 21 -10.170 8.793 -6.696 1.00 0.00 C ATOM 258 CD PRO A 21 -11.283 9.102 -5.733 1.00 0.00 C ATOM 0 HA PRO A 21 -12.570 6.613 -7.397 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -9.935 7.172 -8.077 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.222 8.286 -8.492 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.302 8.392 -6.173 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -9.841 9.694 -7.215 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.902 9.317 -4.735 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.858 9.972 -6.049 1.00 0.00 H new ATOM 266 N TRP A 22 -10.802 5.659 -4.999 1.00 0.00 N ATOM 267 CA TRP A 22 -10.162 4.507 -4.374 1.00 0.00 C ATOM 268 C TRP A 22 -11.089 3.297 -4.385 1.00 0.00 C ATOM 269 O TRP A 22 -12.301 3.430 -4.208 1.00 0.00 O ATOM 270 CB TRP A 22 -9.756 4.841 -2.938 1.00 0.00 C ATOM 271 CG TRP A 22 -8.631 5.828 -2.853 1.00 0.00 C ATOM 272 CD1 TRP A 22 -8.739 7.180 -2.688 1.00 0.00 C ATOM 273 CD2 TRP A 22 -7.231 5.541 -2.930 1.00 0.00 C ATOM 274 NE1 TRP A 22 -7.489 7.750 -2.659 1.00 0.00 N ATOM 275 CE2 TRP A 22 -6.547 6.766 -2.804 1.00 0.00 C ATOM 276 CE3 TRP A 22 -6.488 4.369 -3.092 1.00 0.00 C ATOM 277 CZ2 TRP A 22 -5.158 6.849 -2.836 1.00 0.00 C ATOM 278 CZ3 TRP A 22 -5.109 4.453 -3.124 1.00 0.00 C ATOM 279 CH2 TRP A 22 -4.455 5.686 -2.996 1.00 0.00 C ATOM 0 H TRP A 22 -11.049 6.407 -4.351 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.269 4.262 -4.949 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -10.620 5.240 -2.407 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.464 3.923 -2.428 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -9.669 7.721 -2.594 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.294 8.745 -2.548 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -6.983 3.414 -3.191 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -4.653 7.798 -2.738 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.525 3.553 -3.250 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.376 5.719 -3.024 1.00 0.00 H new ATOM 290 N CYS A 23 -10.514 2.118 -4.594 1.00 0.00 N ATOM 291 CA CYS A 23 -11.290 0.884 -4.629 1.00 0.00 C ATOM 292 C CYS A 23 -10.741 -0.132 -3.633 1.00 0.00 C ATOM 293 O CYS A 23 -9.585 -0.546 -3.725 1.00 0.00 O ATOM 294 CB CYS A 23 -11.282 0.290 -6.038 1.00 0.00 C ATOM 295 SG CYS A 23 -9.700 0.455 -6.898 1.00 0.00 S ATOM 0 H CYS A 23 -9.513 1.991 -4.742 1.00 0.00 H new ATOM 0 HA CYS A 23 -12.316 1.122 -4.350 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -11.542 -0.767 -5.977 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -12.058 0.775 -6.630 1.00 0.00 H new ATOM 0 HG CYS A 23 -9.162 1.600 -6.601 1.00 0.00 H new ATOM 301 N VAL A 24 -11.577 -0.530 -2.678 1.00 0.00 N ATOM 302 CA VAL A 24 -11.174 -1.497 -1.664 1.00 0.00 C ATOM 303 C VAL A 24 -10.964 -2.878 -2.275 1.00 0.00 C ATOM 304 O VAL A 24 -11.905 -3.663 -2.401 1.00 0.00 O ATOM 305 CB VAL A 24 -12.222 -1.599 -0.539 1.00 0.00 C ATOM 306 CG1 VAL A 24 -11.700 -2.462 0.599 1.00 0.00 C ATOM 307 CG2 VAL A 24 -12.602 -0.214 -0.039 1.00 0.00 C ATOM 0 H VAL A 24 -12.537 -0.197 -2.586 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.233 -1.142 -1.243 1.00 0.00 H new ATOM 0 HB VAL A 24 -13.118 -2.073 -0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.453 -2.523 1.385 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.483 -3.463 0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.789 -2.020 1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -13.343 -0.305 0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.716 0.289 0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -13.020 0.367 -0.861 1.00 0.00 H new ATOM 317 N VAL A 25 -9.723 -3.170 -2.651 1.00 0.00 N ATOM 318 CA VAL A 25 -9.388 -4.458 -3.247 1.00 0.00 C ATOM 319 C VAL A 25 -8.767 -5.395 -2.218 1.00 0.00 C ATOM 320 O VAL A 25 -7.787 -5.047 -1.559 1.00 0.00 O ATOM 321 CB VAL A 25 -8.414 -4.293 -4.429 1.00 0.00 C ATOM 322 CG1 VAL A 25 -8.083 -5.645 -5.042 1.00 0.00 C ATOM 323 CG2 VAL A 25 -8.998 -3.354 -5.473 1.00 0.00 C ATOM 0 H VAL A 25 -8.933 -2.532 -2.553 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.320 -4.890 -3.611 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.489 -3.854 -4.056 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.394 -5.508 -5.875 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.619 -6.282 -4.289 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.998 -6.115 -5.402 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.297 -3.249 -6.301 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.938 -3.762 -5.844 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -9.178 -2.377 -5.024 1.00 0.00 H new ATOM 333 N TRP A 26 -9.343 -6.584 -2.086 1.00 0.00 N ATOM 334 CA TRP A 26 -8.845 -7.573 -1.136 1.00 0.00 C ATOM 335 C TRP A 26 -7.879 -8.540 -1.812 1.00 0.00 C ATOM 336 O TRP A 26 -7.781 -8.579 -3.039 1.00 0.00 O ATOM 337 CB TRP A 26 -10.009 -8.346 -0.516 1.00 0.00 C ATOM 338 CG TRP A 26 -10.814 -7.533 0.452 1.00 0.00 C ATOM 339 CD1 TRP A 26 -10.671 -7.496 1.810 1.00 0.00 C ATOM 340 CD2 TRP A 26 -11.888 -6.640 0.136 1.00 0.00 C ATOM 341 NE1 TRP A 26 -11.591 -6.635 2.357 1.00 0.00 N ATOM 342 CE2 TRP A 26 -12.349 -6.096 1.351 1.00 0.00 C ATOM 343 CE3 TRP A 26 -12.504 -6.246 -1.055 1.00 0.00 C ATOM 344 CZ2 TRP A 26 -13.397 -5.181 1.406 1.00 0.00 C ATOM 345 CZ3 TRP A 26 -13.544 -5.338 -0.998 1.00 0.00 C ATOM 346 CH2 TRP A 26 -13.982 -4.813 0.225 1.00 0.00 C ATOM 0 H TRP A 26 -10.155 -6.887 -2.624 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.308 -7.045 -0.348 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -10.663 -8.703 -1.311 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -9.620 -9.226 -0.004 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -9.942 -8.061 2.371 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -11.693 -6.430 3.351 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -12.173 -6.644 -2.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -13.736 -4.776 2.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -14.028 -5.027 -1.912 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -14.797 -4.104 0.236 1.00 0.00 H new ATOM 357 N THR A 27 -7.167 -9.320 -1.005 1.00 0.00 N ATOM 358 CA THR A 27 -6.209 -10.286 -1.526 1.00 0.00 C ATOM 359 C THR A 27 -6.446 -11.671 -0.933 1.00 0.00 C ATOM 360 O THR A 27 -7.337 -11.858 -0.106 1.00 0.00 O ATOM 361 CB THR A 27 -4.760 -9.856 -1.231 1.00 0.00 C ATOM 362 OG1 THR A 27 -4.616 -9.539 0.158 1.00 0.00 O ATOM 363 CG2 THR A 27 -4.371 -8.650 -2.074 1.00 0.00 C ATOM 0 H THR A 27 -7.236 -9.301 0.012 1.00 0.00 H new ATOM 0 HA THR A 27 -6.356 -10.325 -2.605 1.00 0.00 H new ATOM 0 HB THR A 27 -4.100 -10.685 -1.485 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.437 -9.115 0.484 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.344 -8.365 -1.848 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.454 -8.903 -3.131 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.037 -7.817 -1.847 1.00 0.00 H new ATOM 371 N GLY A 28 -5.642 -12.639 -1.362 1.00 0.00 N ATOM 372 CA GLY A 28 -5.780 -13.994 -0.862 1.00 0.00 C ATOM 373 C GLY A 28 -5.158 -14.173 0.508 1.00 0.00 C ATOM 374 O GLY A 28 -5.467 -15.131 1.218 1.00 0.00 O ATOM 0 H GLY A 28 -4.898 -12.509 -2.047 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.837 -14.254 -0.814 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.313 -14.686 -1.563 1.00 0.00 H new ATOM 378 N ASP A 29 -4.277 -13.252 0.881 1.00 0.00 N ATOM 379 CA ASP A 29 -3.608 -13.312 2.175 1.00 0.00 C ATOM 380 C ASP A 29 -4.413 -12.571 3.238 1.00 0.00 C ATOM 381 O ASP A 29 -3.853 -11.850 4.063 1.00 0.00 O ATOM 382 CB ASP A 29 -2.202 -12.718 2.076 1.00 0.00 C ATOM 383 CG ASP A 29 -1.239 -13.339 3.067 1.00 0.00 C ATOM 384 OD1 ASP A 29 -0.689 -14.418 2.763 1.00 0.00 O ATOM 385 OD2 ASP A 29 -1.035 -12.747 4.148 1.00 0.00 O ATOM 0 H ASP A 29 -4.009 -12.454 0.305 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.531 -14.359 2.467 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.821 -12.862 1.065 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.252 -11.643 2.248 1.00 0.00 H new ATOM 390 N GLU A 30 -5.729 -12.754 3.210 1.00 0.00 N ATOM 391 CA GLU A 30 -6.611 -12.100 4.171 1.00 0.00 C ATOM 392 C GLU A 30 -6.194 -10.649 4.392 1.00 0.00 C ATOM 393 O GLU A 30 -6.173 -10.164 5.523 1.00 0.00 O ATOM 394 CB GLU A 30 -6.600 -12.854 5.502 1.00 0.00 C ATOM 395 CG GLU A 30 -7.537 -14.050 5.533 1.00 0.00 C ATOM 396 CD GLU A 30 -7.827 -14.528 6.942 1.00 0.00 C ATOM 397 OE1 GLU A 30 -6.882 -14.983 7.620 1.00 0.00 O ATOM 398 OE2 GLU A 30 -8.998 -14.447 7.368 1.00 0.00 O ATOM 0 H GLU A 30 -6.208 -13.349 2.534 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.622 -12.111 3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.585 -13.193 5.709 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.876 -12.166 6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.474 -13.785 5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.097 -14.866 4.960 1.00 0.00 H new ATOM 405 N ARG A 31 -5.862 -9.962 3.304 1.00 0.00 N ATOM 406 CA ARG A 31 -5.444 -8.568 3.378 1.00 0.00 C ATOM 407 C ARG A 31 -6.211 -7.716 2.370 1.00 0.00 C ATOM 408 O ARG A 31 -6.835 -8.239 1.447 1.00 0.00 O ATOM 409 CB ARG A 31 -3.941 -8.450 3.123 1.00 0.00 C ATOM 410 CG ARG A 31 -3.098 -8.569 4.382 1.00 0.00 C ATOM 411 CD ARG A 31 -2.907 -7.219 5.055 1.00 0.00 C ATOM 412 NE ARG A 31 -2.498 -7.355 6.450 1.00 0.00 N ATOM 413 CZ ARG A 31 -1.245 -7.575 6.831 1.00 0.00 C ATOM 414 NH1 ARG A 31 -0.282 -7.682 5.925 1.00 0.00 N ATOM 415 NH2 ARG A 31 -0.952 -7.687 8.120 1.00 0.00 N ATOM 0 H ARG A 31 -5.875 -10.349 2.360 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.665 -8.201 4.380 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.639 -9.225 2.419 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.736 -7.491 2.648 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.576 -9.259 5.077 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.125 -8.992 4.131 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.156 -6.646 4.511 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.838 -6.654 5.004 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.214 -7.277 7.172 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -0.503 -7.595 4.933 1.00 0.00 H new ATOM 0 HH12 ARG A 31 0.680 -7.851 6.220 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.690 -7.604 8.820 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.011 -7.856 8.411 1.00 0.00 H new ATOM 429 N VAL A 32 -6.159 -6.401 2.555 1.00 0.00 N ATOM 430 CA VAL A 32 -6.848 -5.476 1.662 1.00 0.00 C ATOM 431 C VAL A 32 -6.009 -4.229 1.409 1.00 0.00 C ATOM 432 O VAL A 32 -5.379 -3.695 2.323 1.00 0.00 O ATOM 433 CB VAL A 32 -8.214 -5.055 2.235 1.00 0.00 C ATOM 434 CG1 VAL A 32 -8.047 -4.437 3.615 1.00 0.00 C ATOM 435 CG2 VAL A 32 -8.912 -4.088 1.291 1.00 0.00 C ATOM 0 H VAL A 32 -5.647 -5.952 3.315 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.004 -6.002 0.720 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.836 -5.944 2.334 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.023 -4.146 4.004 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.591 -5.164 4.287 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.407 -3.557 3.545 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.876 -3.801 1.712 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.295 -3.199 1.158 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.066 -4.570 0.326 1.00 0.00 H new ATOM 445 N PHE A 33 -6.005 -3.767 0.163 1.00 0.00 N ATOM 446 CA PHE A 33 -5.242 -2.582 -0.211 1.00 0.00 C ATOM 447 C PHE A 33 -6.115 -1.595 -0.982 1.00 0.00 C ATOM 448 O PHE A 33 -7.149 -1.966 -1.537 1.00 0.00 O ATOM 449 CB PHE A 33 -4.029 -2.976 -1.056 1.00 0.00 C ATOM 450 CG PHE A 33 -4.392 -3.647 -2.350 1.00 0.00 C ATOM 451 CD1 PHE A 33 -4.602 -2.900 -3.498 1.00 0.00 C ATOM 452 CD2 PHE A 33 -4.523 -5.025 -2.418 1.00 0.00 C ATOM 453 CE1 PHE A 33 -4.937 -3.515 -4.690 1.00 0.00 C ATOM 454 CE2 PHE A 33 -4.857 -5.646 -3.607 1.00 0.00 C ATOM 455 CZ PHE A 33 -5.063 -4.890 -4.745 1.00 0.00 C ATOM 0 H PHE A 33 -6.522 -4.195 -0.605 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.897 -2.098 0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.441 -2.084 -1.271 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.393 -3.644 -0.475 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.503 -1.825 -3.461 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.362 -5.621 -1.532 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.100 -2.921 -5.577 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.957 -6.721 -3.646 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.322 -5.373 -5.676 1.00 0.00 H new ATOM 465 N PHE A 34 -5.689 -0.337 -1.012 1.00 0.00 N ATOM 466 CA PHE A 34 -6.431 0.705 -1.713 1.00 0.00 C ATOM 467 C PHE A 34 -5.821 0.977 -3.085 1.00 0.00 C ATOM 468 O PHE A 34 -4.658 1.365 -3.194 1.00 0.00 O ATOM 469 CB PHE A 34 -6.449 1.992 -0.886 1.00 0.00 C ATOM 470 CG PHE A 34 -6.803 1.773 0.557 1.00 0.00 C ATOM 471 CD1 PHE A 34 -5.831 1.411 1.475 1.00 0.00 C ATOM 472 CD2 PHE A 34 -8.108 1.929 0.995 1.00 0.00 C ATOM 473 CE1 PHE A 34 -6.154 1.208 2.803 1.00 0.00 C ATOM 474 CE2 PHE A 34 -8.438 1.728 2.322 1.00 0.00 C ATOM 475 CZ PHE A 34 -7.459 1.368 3.228 1.00 0.00 C ATOM 0 H PHE A 34 -4.834 -0.014 -0.559 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.454 0.357 -1.852 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.469 2.465 -0.943 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.164 2.687 -1.326 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.809 1.286 1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.877 2.211 0.291 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.387 0.924 3.508 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.459 1.852 2.650 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.713 1.212 4.266 1.00 0.00 H new ATOM 485 N TYR A 35 -6.615 0.770 -4.130 1.00 0.00 N ATOM 486 CA TYR A 35 -6.154 0.989 -5.496 1.00 0.00 C ATOM 487 C TYR A 35 -6.906 2.147 -6.145 1.00 0.00 C ATOM 488 O TYR A 35 -8.037 2.455 -5.771 1.00 0.00 O ATOM 489 CB TYR A 35 -6.336 -0.281 -6.328 1.00 0.00 C ATOM 490 CG TYR A 35 -6.123 -0.070 -7.810 1.00 0.00 C ATOM 491 CD1 TYR A 35 -4.943 0.484 -8.290 1.00 0.00 C ATOM 492 CD2 TYR A 35 -7.103 -0.423 -8.730 1.00 0.00 C ATOM 493 CE1 TYR A 35 -4.744 0.680 -9.643 1.00 0.00 C ATOM 494 CE2 TYR A 35 -6.912 -0.233 -10.085 1.00 0.00 C ATOM 495 CZ TYR A 35 -5.732 0.319 -10.536 1.00 0.00 C ATOM 496 OH TYR A 35 -5.539 0.512 -11.885 1.00 0.00 O ATOM 0 H TYR A 35 -7.581 0.451 -4.057 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.094 1.242 -5.459 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.639 -1.040 -5.974 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.341 -0.671 -6.166 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.168 0.766 -7.593 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.030 -0.853 -8.380 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -3.821 1.113 -9.999 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.683 -0.515 -10.787 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.329 0.204 -12.376 1.00 0.00 H new ATOM 506 N ASN A 36 -6.268 2.785 -7.120 1.00 0.00 N ATOM 507 CA ASN A 36 -6.875 3.910 -7.823 1.00 0.00 C ATOM 508 C ASN A 36 -6.682 3.777 -9.331 1.00 0.00 C ATOM 509 O ASN A 36 -5.639 4.129 -9.882 1.00 0.00 O ATOM 510 CB ASN A 36 -6.272 5.229 -7.335 1.00 0.00 C ATOM 511 CG ASN A 36 -7.019 6.437 -7.865 1.00 0.00 C ATOM 512 OD1 ASN A 36 -7.605 6.393 -8.947 1.00 0.00 O ATOM 513 ND2 ASN A 36 -7.000 7.525 -7.103 1.00 0.00 N ATOM 0 H ASN A 36 -5.331 2.543 -7.442 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.944 3.906 -7.609 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.282 5.249 -6.245 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.229 5.285 -7.646 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.484 8.370 -7.408 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.501 7.516 -6.213 1.00 0.00 H new ATOM 520 N PRO A 37 -7.713 3.259 -10.015 1.00 0.00 N ATOM 521 CA PRO A 37 -7.682 3.069 -11.469 1.00 0.00 C ATOM 522 C PRO A 37 -7.717 4.391 -12.227 1.00 0.00 C ATOM 523 O PRO A 37 -7.665 4.415 -13.457 1.00 0.00 O ATOM 524 CB PRO A 37 -8.951 2.259 -11.747 1.00 0.00 C ATOM 525 CG PRO A 37 -9.867 2.592 -10.621 1.00 0.00 C ATOM 526 CD PRO A 37 -8.987 2.818 -9.423 1.00 0.00 C ATOM 0 HA PRO A 37 -6.766 2.578 -11.797 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.390 2.528 -12.708 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -8.739 1.190 -11.782 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.455 3.482 -10.847 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.573 1.781 -10.439 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.403 3.573 -8.756 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -8.864 1.907 -8.837 1.00 0.00 H new ATOM 534 N THR A 38 -7.804 5.491 -11.486 1.00 0.00 N ATOM 535 CA THR A 38 -7.846 6.817 -12.088 1.00 0.00 C ATOM 536 C THR A 38 -6.456 7.439 -12.147 1.00 0.00 C ATOM 537 O THR A 38 -6.137 8.189 -13.071 1.00 0.00 O ATOM 538 CB THR A 38 -8.785 7.759 -11.310 1.00 0.00 C ATOM 539 OG1 THR A 38 -10.075 7.154 -11.165 1.00 0.00 O ATOM 540 CG2 THR A 38 -8.923 9.096 -12.022 1.00 0.00 C ATOM 0 H THR A 38 -7.847 5.489 -10.467 1.00 0.00 H new ATOM 0 HA THR A 38 -8.228 6.691 -13.101 1.00 0.00 H new ATOM 0 HB THR A 38 -8.353 7.934 -10.325 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.666 7.758 -10.668 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.591 9.744 -11.454 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.944 9.567 -12.104 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.334 8.937 -13.019 1.00 0.00 H new ATOM 548 N THR A 39 -5.629 7.124 -11.155 1.00 0.00 N ATOM 549 CA THR A 39 -4.272 7.652 -11.093 1.00 0.00 C ATOM 550 C THR A 39 -3.243 6.528 -11.120 1.00 0.00 C ATOM 551 O THR A 39 -2.046 6.765 -10.953 1.00 0.00 O ATOM 552 CB THR A 39 -4.057 8.500 -9.825 1.00 0.00 C ATOM 553 OG1 THR A 39 -4.173 7.677 -8.659 1.00 0.00 O ATOM 554 CG2 THR A 39 -5.068 9.635 -9.755 1.00 0.00 C ATOM 0 H THR A 39 -5.876 6.505 -10.383 1.00 0.00 H new ATOM 0 HA THR A 39 -4.138 8.284 -11.971 1.00 0.00 H new ATOM 0 HB THR A 39 -3.056 8.929 -9.867 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.033 8.224 -7.858 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.896 10.220 -8.851 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.956 10.276 -10.629 1.00 0.00 H new ATOM 0 HG23 THR A 39 -6.077 9.223 -9.734 1.00 0.00 H new ATOM 562 N ARG A 40 -3.715 5.304 -11.331 1.00 0.00 N ATOM 563 CA ARG A 40 -2.835 4.143 -11.379 1.00 0.00 C ATOM 564 C ARG A 40 -2.017 4.028 -10.097 1.00 0.00 C ATOM 565 O ARG A 40 -0.866 3.590 -10.119 1.00 0.00 O ATOM 566 CB ARG A 40 -1.901 4.234 -12.587 1.00 0.00 C ATOM 567 CG ARG A 40 -2.623 4.169 -13.923 1.00 0.00 C ATOM 568 CD ARG A 40 -1.712 3.649 -15.024 1.00 0.00 C ATOM 569 NE ARG A 40 -0.960 4.725 -15.665 1.00 0.00 N ATOM 570 CZ ARG A 40 -0.393 4.613 -16.861 1.00 0.00 C ATOM 571 NH1 ARG A 40 -0.492 3.480 -17.542 1.00 0.00 N ATOM 572 NH2 ARG A 40 0.275 5.636 -17.378 1.00 0.00 N ATOM 0 H ARG A 40 -4.702 5.091 -11.472 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.455 3.252 -11.475 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.340 5.167 -12.532 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.175 3.422 -12.536 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.495 3.522 -13.835 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.988 5.161 -14.189 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.017 2.920 -14.606 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.309 3.128 -15.773 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.865 5.610 -15.167 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.005 2.691 -17.148 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.056 3.397 -18.460 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.354 6.509 -16.857 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.710 5.549 -18.296 1.00 0.00 H new ATOM 586 N LEU A 41 -2.617 4.424 -8.980 1.00 0.00 N ATOM 587 CA LEU A 41 -1.944 4.366 -7.687 1.00 0.00 C ATOM 588 C LEU A 41 -2.445 3.182 -6.866 1.00 0.00 C ATOM 589 O LEU A 41 -3.645 2.917 -6.808 1.00 0.00 O ATOM 590 CB LEU A 41 -2.167 5.668 -6.915 1.00 0.00 C ATOM 591 CG LEU A 41 -1.047 6.082 -5.961 1.00 0.00 C ATOM 592 CD1 LEU A 41 -1.074 5.229 -4.703 1.00 0.00 C ATOM 593 CD2 LEU A 41 0.306 5.978 -6.650 1.00 0.00 C ATOM 0 H LEU A 41 -3.569 4.789 -8.944 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.877 4.235 -7.865 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.320 6.472 -7.635 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.089 5.574 -6.342 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.207 7.121 -5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.269 5.539 -4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.032 5.355 -4.199 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.940 4.181 -4.971 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.092 6.277 -5.956 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.474 4.949 -6.968 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.322 6.634 -7.520 1.00 0.00 H new ATOM 605 N SER A 42 -1.516 2.475 -6.230 1.00 0.00 N ATOM 606 CA SER A 42 -1.862 1.318 -5.413 1.00 0.00 C ATOM 607 C SER A 42 -1.010 1.272 -4.148 1.00 0.00 C ATOM 608 O SER A 42 0.206 1.092 -4.212 1.00 0.00 O ATOM 609 CB SER A 42 -1.677 0.027 -6.214 1.00 0.00 C ATOM 610 OG SER A 42 -0.426 0.015 -6.878 1.00 0.00 O ATOM 0 H SER A 42 -0.518 2.683 -6.265 1.00 0.00 H new ATOM 0 HA SER A 42 -2.909 1.409 -5.122 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.746 -0.832 -5.547 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.481 -0.070 -6.944 1.00 0.00 H new ATOM 0 HG SER A 42 0.264 0.375 -6.282 1.00 0.00 H new ATOM 616 N MET A 43 -1.658 1.436 -3.000 1.00 0.00 N ATOM 617 CA MET A 43 -0.960 1.412 -1.719 1.00 0.00 C ATOM 618 C MET A 43 -1.524 0.322 -0.813 1.00 0.00 C ATOM 619 O MET A 43 -2.687 -0.062 -0.939 1.00 0.00 O ATOM 620 CB MET A 43 -1.071 2.773 -1.028 1.00 0.00 C ATOM 621 CG MET A 43 -1.023 3.948 -1.991 1.00 0.00 C ATOM 622 SD MET A 43 -0.294 5.422 -1.251 1.00 0.00 S ATOM 623 CE MET A 43 -0.897 5.291 0.430 1.00 0.00 C ATOM 0 H MET A 43 -2.664 1.587 -2.930 1.00 0.00 H new ATOM 0 HA MET A 43 0.091 1.194 -1.910 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.005 2.811 -0.467 1.00 0.00 H new ATOM 0 HB3 MET A 43 -0.261 2.872 -0.306 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.448 3.667 -2.873 1.00 0.00 H new ATOM 0 HG3 MET A 43 -2.034 4.178 -2.329 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.861 6.271 0.907 1.00 0.00 H new ATOM 0 HE2 MET A 43 -1.925 4.929 0.421 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.272 4.593 0.987 1.00 0.00 H new ATOM 633 N TRP A 44 -0.693 -0.173 0.097 1.00 0.00 N ATOM 634 CA TRP A 44 -1.110 -1.219 1.023 1.00 0.00 C ATOM 635 C TRP A 44 -1.706 -0.618 2.291 1.00 0.00 C ATOM 636 O TRP A 44 -2.316 -1.323 3.096 1.00 0.00 O ATOM 637 CB TRP A 44 0.077 -2.116 1.379 1.00 0.00 C ATOM 638 CG TRP A 44 0.317 -3.208 0.380 1.00 0.00 C ATOM 639 CD1 TRP A 44 1.303 -3.252 -0.564 1.00 0.00 C ATOM 640 CD2 TRP A 44 -0.444 -4.410 0.225 1.00 0.00 C ATOM 641 NE1 TRP A 44 1.200 -4.410 -1.297 1.00 0.00 N ATOM 642 CE2 TRP A 44 0.137 -5.138 -0.832 1.00 0.00 C ATOM 643 CE3 TRP A 44 -1.559 -4.944 0.877 1.00 0.00 C ATOM 644 CZ2 TRP A 44 -0.361 -6.370 -1.249 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -2.052 -6.166 0.461 1.00 0.00 C ATOM 646 CH2 TRP A 44 -1.453 -6.868 -0.593 1.00 0.00 C ATOM 0 H TRP A 44 0.273 0.133 0.213 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.876 -1.819 0.533 1.00 0.00 H new ATOM 0 HB2 TRP A 44 0.975 -1.503 1.460 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -0.094 -2.561 2.359 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.053 -2.489 -0.713 1.00 0.00 H new ATOM 0 HE1 TRP A 44 1.815 -4.683 -2.063 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -2.027 -4.411 1.691 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.099 -6.913 -2.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.914 -6.587 0.957 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -1.862 -7.821 -0.894 1.00 0.00 H new ATOM 657 N ASP A 45 -1.526 0.686 2.464 1.00 0.00 N ATOM 658 CA ASP A 45 -2.048 1.382 3.634 1.00 0.00 C ATOM 659 C ASP A 45 -3.104 2.407 3.231 1.00 0.00 C ATOM 660 O ASP A 45 -3.229 2.755 2.057 1.00 0.00 O ATOM 661 CB ASP A 45 -0.913 2.072 4.392 1.00 0.00 C ATOM 662 CG ASP A 45 -0.035 1.089 5.141 1.00 0.00 C ATOM 663 OD1 ASP A 45 -0.582 0.130 5.725 1.00 0.00 O ATOM 664 OD2 ASP A 45 1.199 1.278 5.141 1.00 0.00 O ATOM 0 H ASP A 45 -1.022 1.283 1.808 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.514 0.644 4.287 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.302 2.638 3.689 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.334 2.789 5.097 1.00 0.00 H new ATOM 669 N ARG A 46 -3.862 2.886 4.212 1.00 0.00 N ATOM 670 CA ARG A 46 -4.908 3.869 3.959 1.00 0.00 C ATOM 671 C ARG A 46 -4.310 5.254 3.734 1.00 0.00 C ATOM 672 O ARG A 46 -3.758 5.875 4.643 1.00 0.00 O ATOM 673 CB ARG A 46 -5.892 3.911 5.131 1.00 0.00 C ATOM 674 CG ARG A 46 -7.271 4.422 4.749 1.00 0.00 C ATOM 675 CD ARG A 46 -7.381 5.926 4.941 1.00 0.00 C ATOM 676 NE ARG A 46 -8.756 6.345 5.204 1.00 0.00 N ATOM 677 CZ ARG A 46 -9.331 6.269 6.399 1.00 0.00 C ATOM 678 NH1 ARG A 46 -8.655 5.793 7.435 1.00 0.00 N ATOM 679 NH2 ARG A 46 -10.586 6.671 6.559 1.00 0.00 N ATOM 0 H ARG A 46 -3.771 2.609 5.189 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.441 3.571 3.056 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -5.988 2.909 5.550 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.483 4.547 5.916 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.478 4.171 3.709 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.026 3.921 5.354 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.743 6.233 5.770 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -7.012 6.433 4.050 1.00 0.00 H new ATOM 0 HE ARG A 46 -9.304 6.716 4.428 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.690 5.484 7.316 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.099 5.736 8.351 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.109 7.038 5.764 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.027 6.612 7.477 1.00 0.00 H new ATOM 693 N PRO A 47 -4.420 5.752 2.493 1.00 0.00 N ATOM 694 CA PRO A 47 -3.896 7.068 2.118 1.00 0.00 C ATOM 695 C PRO A 47 -4.687 8.208 2.751 1.00 0.00 C ATOM 696 O PRO A 47 -5.842 8.034 3.140 1.00 0.00 O ATOM 697 CB PRO A 47 -4.050 7.092 0.596 1.00 0.00 C ATOM 698 CG PRO A 47 -5.162 6.142 0.313 1.00 0.00 C ATOM 699 CD PRO A 47 -5.065 5.067 1.360 1.00 0.00 C ATOM 0 HA PRO A 47 -2.870 7.210 2.458 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.285 8.094 0.238 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.130 6.783 0.100 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.127 6.646 0.360 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.070 5.721 -0.688 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.047 4.680 1.631 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.473 4.220 1.013 1.00 0.00 H new ATOM 707 N ASP A 48 -4.058 9.374 2.850 1.00 0.00 N ATOM 708 CA ASP A 48 -4.704 10.544 3.435 1.00 0.00 C ATOM 709 C ASP A 48 -6.007 10.864 2.709 1.00 0.00 C ATOM 710 O ASP A 48 -7.055 11.025 3.335 1.00 0.00 O ATOM 711 CB ASP A 48 -3.766 11.751 3.382 1.00 0.00 C ATOM 712 CG ASP A 48 -2.891 11.750 2.144 1.00 0.00 C ATOM 713 OD1 ASP A 48 -2.017 10.864 2.035 1.00 0.00 O ATOM 714 OD2 ASP A 48 -3.080 12.635 1.283 1.00 0.00 O ATOM 0 H ASP A 48 -3.102 9.534 2.533 1.00 0.00 H new ATOM 0 HA ASP A 48 -4.935 10.319 4.476 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.356 12.667 3.406 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.134 11.756 4.270 1.00 0.00 H new ATOM 719 N ASP A 49 -5.934 10.956 1.386 1.00 0.00 N ATOM 720 CA ASP A 49 -7.108 11.258 0.574 1.00 0.00 C ATOM 721 C ASP A 49 -8.344 10.554 1.125 1.00 0.00 C ATOM 722 O ASP A 49 -9.471 11.010 0.927 1.00 0.00 O ATOM 723 CB ASP A 49 -6.871 10.839 -0.878 1.00 0.00 C ATOM 724 CG ASP A 49 -5.994 11.822 -1.628 1.00 0.00 C ATOM 725 OD1 ASP A 49 -5.062 12.377 -1.009 1.00 0.00 O ATOM 726 OD2 ASP A 49 -6.239 12.037 -2.833 1.00 0.00 O ATOM 0 H ASP A 49 -5.074 10.826 0.852 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.278 12.334 0.610 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.406 9.853 -0.897 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.830 10.749 -1.388 1.00 0.00 H new ATOM 731 N LEU A 50 -8.126 9.440 1.815 1.00 0.00 N ATOM 732 CA LEU A 50 -9.223 8.672 2.394 1.00 0.00 C ATOM 733 C LEU A 50 -9.297 8.880 3.903 1.00 0.00 C ATOM 734 O LEU A 50 -10.373 8.805 4.498 1.00 0.00 O ATOM 735 CB LEU A 50 -9.051 7.185 2.081 1.00 0.00 C ATOM 736 CG LEU A 50 -9.176 6.790 0.609 1.00 0.00 C ATOM 737 CD1 LEU A 50 -8.753 5.343 0.407 1.00 0.00 C ATOM 738 CD2 LEU A 50 -10.600 7.005 0.118 1.00 0.00 C ATOM 0 H LEU A 50 -7.200 9.048 1.987 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.154 9.025 1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.071 6.870 2.439 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.793 6.626 2.651 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.512 7.426 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.849 5.080 -0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.716 5.220 0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.391 4.691 1.003 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.670 6.719 -0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.284 6.394 0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.867 8.056 0.226 1.00 0.00 H new ATOM 750 N ILE A 51 -8.148 9.145 4.515 1.00 0.00 N ATOM 751 CA ILE A 51 -8.084 9.368 5.955 1.00 0.00 C ATOM 752 C ILE A 51 -9.174 10.331 6.411 1.00 0.00 C ATOM 753 O ILE A 51 -9.150 11.515 6.079 1.00 0.00 O ATOM 754 CB ILE A 51 -6.712 9.926 6.377 1.00 0.00 C ATOM 755 CG1 ILE A 51 -5.644 8.834 6.288 1.00 0.00 C ATOM 756 CG2 ILE A 51 -6.782 10.492 7.787 1.00 0.00 C ATOM 757 CD1 ILE A 51 -4.259 9.310 6.668 1.00 0.00 C ATOM 0 H ILE A 51 -7.249 9.211 4.037 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.236 8.400 6.432 1.00 0.00 H new ATOM 0 HB ILE A 51 -6.439 10.732 5.696 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -5.926 8.007 6.939 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -5.619 8.444 5.270 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.805 10.883 8.071 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -7.518 11.296 7.820 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.074 9.704 8.481 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -3.554 8.483 6.582 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.956 10.117 6.001 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.268 9.673 7.696 1.00 0.00 H new ATOM 769 N GLY A 52 -10.131 9.814 7.177 1.00 0.00 N ATOM 770 CA GLY A 52 -11.216 10.643 7.668 1.00 0.00 C ATOM 771 C GLY A 52 -12.567 10.203 7.139 1.00 0.00 C ATOM 772 O GLY A 52 -13.591 10.398 7.793 1.00 0.00 O ATOM 0 H GLY A 52 -10.174 8.837 7.466 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.228 10.612 8.757 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.036 11.679 7.380 1.00 0.00 H new ATOM 776 N ARG A 53 -12.569 9.609 5.950 1.00 0.00 N ATOM 777 CA ARG A 53 -13.805 9.143 5.332 1.00 0.00 C ATOM 778 C ARG A 53 -14.399 7.977 6.116 1.00 0.00 C ATOM 779 O ARG A 53 -13.673 7.127 6.630 1.00 0.00 O ATOM 780 CB ARG A 53 -13.548 8.719 3.885 1.00 0.00 C ATOM 781 CG ARG A 53 -13.555 9.878 2.900 1.00 0.00 C ATOM 782 CD ARG A 53 -13.887 9.410 1.492 1.00 0.00 C ATOM 783 NE ARG A 53 -15.319 9.481 1.215 1.00 0.00 N ATOM 784 CZ ARG A 53 -15.988 10.621 1.088 1.00 0.00 C ATOM 785 NH1 ARG A 53 -15.356 11.781 1.212 1.00 0.00 N ATOM 786 NH2 ARG A 53 -17.290 10.604 0.836 1.00 0.00 N ATOM 0 H ARG A 53 -11.730 9.439 5.396 1.00 0.00 H new ATOM 0 HA ARG A 53 -14.519 9.966 5.341 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -12.585 8.212 3.830 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.307 7.995 3.587 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -14.284 10.623 3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.580 10.365 2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.347 10.023 0.770 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -13.543 8.384 1.360 1.00 0.00 H new ATOM 0 HE ARG A 53 -15.834 8.606 1.113 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.355 11.798 1.405 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.872 12.656 1.114 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -17.779 9.714 0.739 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -17.802 11.481 0.739 1.00 0.00 H new ATOM 800 N ALA A 54 -15.725 7.945 6.205 1.00 0.00 N ATOM 801 CA ALA A 54 -16.417 6.883 6.925 1.00 0.00 C ATOM 802 C ALA A 54 -16.740 5.714 6.002 1.00 0.00 C ATOM 803 O ALA A 54 -16.778 4.561 6.434 1.00 0.00 O ATOM 804 CB ALA A 54 -17.689 7.421 7.563 1.00 0.00 C ATOM 0 H ALA A 54 -16.341 8.642 5.787 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.755 6.519 7.711 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -18.196 6.618 8.097 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -17.436 8.219 8.262 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.347 7.813 6.788 1.00 0.00 H new ATOM 810 N ASP A 55 -16.972 6.017 4.729 1.00 0.00 N ATOM 811 CA ASP A 55 -17.291 4.990 3.745 1.00 0.00 C ATOM 812 C ASP A 55 -16.123 4.025 3.567 1.00 0.00 C ATOM 813 O ASP A 55 -16.294 2.808 3.635 1.00 0.00 O ATOM 814 CB ASP A 55 -17.646 5.633 2.403 1.00 0.00 C ATOM 815 CG ASP A 55 -16.863 6.905 2.146 1.00 0.00 C ATOM 816 OD1 ASP A 55 -17.305 7.977 2.610 1.00 0.00 O ATOM 817 OD2 ASP A 55 -15.809 6.830 1.480 1.00 0.00 O ATOM 0 H ASP A 55 -16.945 6.966 4.355 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.151 4.428 4.109 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.452 4.922 1.600 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -18.713 5.856 2.381 1.00 0.00 H new ATOM 822 N VAL A 56 -14.935 4.577 3.339 1.00 0.00 N ATOM 823 CA VAL A 56 -13.738 3.765 3.152 1.00 0.00 C ATOM 824 C VAL A 56 -13.522 2.825 4.332 1.00 0.00 C ATOM 825 O VAL A 56 -12.965 1.737 4.179 1.00 0.00 O ATOM 826 CB VAL A 56 -12.486 4.645 2.974 1.00 0.00 C ATOM 827 CG1 VAL A 56 -12.326 5.591 4.154 1.00 0.00 C ATOM 828 CG2 VAL A 56 -11.248 3.778 2.802 1.00 0.00 C ATOM 0 H VAL A 56 -14.776 5.583 3.279 1.00 0.00 H new ATOM 0 HA VAL A 56 -13.892 3.177 2.247 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.609 5.246 2.073 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.436 6.204 4.011 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.203 6.235 4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.224 5.013 5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.372 4.415 2.677 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.118 3.151 3.684 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.366 3.146 1.921 1.00 0.00 H new ATOM 838 N ASP A 57 -13.967 3.250 5.510 1.00 0.00 N ATOM 839 CA ASP A 57 -13.823 2.445 6.717 1.00 0.00 C ATOM 840 C ASP A 57 -14.861 1.327 6.751 1.00 0.00 C ATOM 841 O ASP A 57 -14.518 0.151 6.870 1.00 0.00 O ATOM 842 CB ASP A 57 -13.962 3.324 7.961 1.00 0.00 C ATOM 843 CG ASP A 57 -13.245 2.743 9.164 1.00 0.00 C ATOM 844 OD1 ASP A 57 -11.997 2.738 9.165 1.00 0.00 O ATOM 845 OD2 ASP A 57 -13.933 2.291 10.104 1.00 0.00 O ATOM 0 H ASP A 57 -14.430 4.147 5.654 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.830 1.995 6.708 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.563 4.316 7.748 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -15.019 3.450 8.197 1.00 0.00 H new ATOM 850 N LYS A 58 -16.131 1.703 6.648 1.00 0.00 N ATOM 851 CA LYS A 58 -17.220 0.733 6.666 1.00 0.00 C ATOM 852 C LYS A 58 -16.941 -0.416 5.702 1.00 0.00 C ATOM 853 O LYS A 58 -17.037 -1.586 6.073 1.00 0.00 O ATOM 854 CB LYS A 58 -18.541 1.412 6.299 1.00 0.00 C ATOM 855 CG LYS A 58 -19.740 0.481 6.356 1.00 0.00 C ATOM 856 CD LYS A 58 -21.043 1.237 6.163 1.00 0.00 C ATOM 857 CE LYS A 58 -22.234 0.433 6.662 1.00 0.00 C ATOM 858 NZ LYS A 58 -22.175 0.210 8.134 1.00 0.00 N ATOM 0 H LYS A 58 -16.432 2.673 6.551 1.00 0.00 H new ATOM 0 HA LYS A 58 -17.295 0.327 7.675 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.710 2.250 6.976 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.460 1.826 5.294 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -19.645 -0.284 5.585 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.756 -0.034 7.316 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -20.996 2.187 6.695 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -21.177 1.470 5.107 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -23.157 0.956 6.411 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -22.263 -0.529 6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -23.134 0.040 8.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -21.576 -0.616 8.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -21.773 1.050 8.597 1.00 0.00 H new ATOM 872 N ILE A 59 -16.596 -0.074 4.466 1.00 0.00 N ATOM 873 CA ILE A 59 -16.301 -1.078 3.450 1.00 0.00 C ATOM 874 C ILE A 59 -15.301 -2.107 3.968 1.00 0.00 C ATOM 875 O ILE A 59 -15.559 -3.310 3.931 1.00 0.00 O ATOM 876 CB ILE A 59 -15.741 -0.434 2.168 1.00 0.00 C ATOM 877 CG1 ILE A 59 -16.750 0.558 1.587 1.00 0.00 C ATOM 878 CG2 ILE A 59 -15.394 -1.506 1.145 1.00 0.00 C ATOM 879 CD1 ILE A 59 -16.170 1.448 0.509 1.00 0.00 C ATOM 0 H ILE A 59 -16.514 0.890 4.143 1.00 0.00 H new ATOM 0 HA ILE A 59 -17.242 -1.576 3.215 1.00 0.00 H new ATOM 0 HB ILE A 59 -14.830 0.109 2.420 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -17.595 0.006 1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -17.139 1.182 2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -14.999 -1.035 0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -14.644 -2.178 1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.290 -2.074 0.895 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -16.941 2.126 0.143 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -15.344 2.027 0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -15.807 0.833 -0.314 1.00 0.00 H new ATOM 891 N ILE A 60 -14.162 -1.624 4.452 1.00 0.00 N ATOM 892 CA ILE A 60 -13.125 -2.502 4.980 1.00 0.00 C ATOM 893 C ILE A 60 -13.653 -3.342 6.138 1.00 0.00 C ATOM 894 O ILE A 60 -13.389 -4.541 6.219 1.00 0.00 O ATOM 895 CB ILE A 60 -11.899 -1.701 5.458 1.00 0.00 C ATOM 896 CG1 ILE A 60 -11.170 -1.082 4.264 1.00 0.00 C ATOM 897 CG2 ILE A 60 -10.960 -2.595 6.254 1.00 0.00 C ATOM 898 CD1 ILE A 60 -10.223 0.034 4.646 1.00 0.00 C ATOM 0 H ILE A 60 -13.934 -0.631 4.490 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.823 -3.160 4.165 1.00 0.00 H new ATOM 0 HB ILE A 60 -12.240 -0.896 6.108 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -10.610 -1.861 3.747 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -11.907 -0.697 3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.099 -2.015 6.585 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.485 -2.992 7.123 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.623 -3.419 5.626 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -9.742 0.425 3.750 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -10.780 0.832 5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.464 -0.350 5.327 1.00 0.00 H new ATOM 910 N GLN A 61 -14.401 -2.703 7.032 1.00 0.00 N ATOM 911 CA GLN A 61 -14.967 -3.392 8.186 1.00 0.00 C ATOM 912 C GLN A 61 -15.727 -4.641 7.755 1.00 0.00 C ATOM 913 O GLN A 61 -15.409 -5.751 8.181 1.00 0.00 O ATOM 914 CB GLN A 61 -15.897 -2.456 8.960 1.00 0.00 C ATOM 915 CG GLN A 61 -15.176 -1.294 9.623 1.00 0.00 C ATOM 916 CD GLN A 61 -15.887 -0.799 10.867 1.00 0.00 C ATOM 917 OE1 GLN A 61 -16.388 0.326 10.904 1.00 0.00 O ATOM 918 NE2 GLN A 61 -15.935 -1.638 11.895 1.00 0.00 N ATOM 0 H GLN A 61 -14.629 -1.710 6.979 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.146 -3.695 8.835 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -16.652 -2.063 8.279 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.423 -3.029 9.723 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -14.164 -1.602 9.886 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -15.085 -0.474 8.911 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -15.507 -2.561 11.821 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -16.400 -1.360 12.759 1.00 0.00 H new ATOM 927 N GLU A 62 -16.733 -4.453 6.906 1.00 0.00 N ATOM 928 CA GLU A 62 -17.540 -5.565 6.419 1.00 0.00 C ATOM 929 C GLU A 62 -17.357 -5.751 4.915 1.00 0.00 C ATOM 930 O GLU A 62 -18.112 -5.218 4.102 1.00 0.00 O ATOM 931 CB GLU A 62 -19.018 -5.332 6.739 1.00 0.00 C ATOM 932 CG GLU A 62 -19.308 -5.225 8.227 1.00 0.00 C ATOM 933 CD GLU A 62 -20.729 -4.780 8.513 1.00 0.00 C ATOM 934 OE1 GLU A 62 -21.221 -3.874 7.809 1.00 0.00 O ATOM 935 OE2 GLU A 62 -21.349 -5.340 9.442 1.00 0.00 O ATOM 0 H GLU A 62 -17.008 -3.541 6.542 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.206 -6.471 6.924 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -19.348 -4.418 6.246 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -19.605 -6.149 6.321 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -19.132 -6.192 8.698 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -18.612 -4.519 8.679 1.00 0.00 H new ATOM 942 N PRO A 63 -16.331 -6.526 4.535 1.00 0.00 N ATOM 943 CA PRO A 63 -16.024 -6.801 3.129 1.00 0.00 C ATOM 944 C PRO A 63 -17.070 -7.696 2.472 1.00 0.00 C ATOM 945 O PRO A 63 -17.691 -8.541 3.116 1.00 0.00 O ATOM 946 CB PRO A 63 -14.673 -7.517 3.193 1.00 0.00 C ATOM 947 CG PRO A 63 -14.634 -8.131 4.550 1.00 0.00 C ATOM 948 CD PRO A 63 -15.390 -7.194 5.450 1.00 0.00 C ATOM 0 HA PRO A 63 -16.011 -5.891 2.530 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.589 -8.274 2.413 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.848 -6.819 3.050 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.091 -9.120 4.544 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -13.607 -8.257 4.892 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -15.912 -7.731 6.242 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.725 -6.479 5.935 1.00 0.00 H new ATOM 956 N PRO A 64 -17.270 -7.508 1.159 1.00 0.00 N ATOM 957 CA PRO A 64 -18.240 -8.290 0.386 1.00 0.00 C ATOM 958 C PRO A 64 -17.807 -9.741 0.212 1.00 0.00 C ATOM 959 O PRO A 64 -18.574 -10.665 0.482 1.00 0.00 O ATOM 960 CB PRO A 64 -18.273 -7.575 -0.968 1.00 0.00 C ATOM 961 CG PRO A 64 -16.948 -6.904 -1.074 1.00 0.00 C ATOM 962 CD PRO A 64 -16.565 -6.518 0.328 1.00 0.00 C ATOM 0 HA PRO A 64 -19.210 -8.341 0.880 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -18.426 -8.281 -1.785 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -19.088 -6.852 -1.014 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.206 -7.572 -1.511 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.005 -6.027 -1.718 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.486 -6.564 0.477 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -16.877 -5.500 0.564 1.00 0.00 H new ATOM 970 N HIS A 65 -16.572 -9.936 -0.242 1.00 0.00 N ATOM 971 CA HIS A 65 -16.037 -11.276 -0.451 1.00 0.00 C ATOM 972 C HIS A 65 -16.363 -12.182 0.732 1.00 0.00 C ATOM 973 O HIS A 65 -16.414 -13.405 0.596 1.00 0.00 O ATOM 974 CB HIS A 65 -14.524 -11.217 -0.661 1.00 0.00 C ATOM 975 CG HIS A 65 -13.738 -11.321 0.610 1.00 0.00 C ATOM 976 ND1 HIS A 65 -13.372 -10.224 1.361 1.00 0.00 N ATOM 977 CD2 HIS A 65 -13.249 -12.402 1.262 1.00 0.00 C ATOM 978 CE1 HIS A 65 -12.691 -10.625 2.419 1.00 0.00 C ATOM 979 NE2 HIS A 65 -12.603 -11.943 2.383 1.00 0.00 N ATOM 0 H HIS A 65 -15.924 -9.183 -0.472 1.00 0.00 H new ATOM 0 HA HIS A 65 -16.504 -11.692 -1.344 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -14.227 -12.025 -1.330 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -14.271 -10.281 -1.159 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.349 -13.433 0.957 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.277 -9.985 3.184 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.132 -12.525 3.076 1.00 0.00 H new