USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 288 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 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 113 TYR OH : rot 180:sc= 0 USER MOD Single : B 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 155 N PRO A 11 1.395 -12.873 0.595 1.00 0.00 N ATOM 156 CA PRO A 11 0.410 -12.215 -0.268 1.00 0.00 C ATOM 157 C PRO A 11 0.060 -13.055 -1.492 1.00 0.00 C ATOM 158 O PRO A 11 -1.086 -13.067 -1.943 1.00 0.00 O ATOM 159 CB PRO A 11 1.114 -10.923 -0.690 1.00 0.00 C ATOM 160 CG PRO A 11 2.568 -11.231 -0.582 1.00 0.00 C ATOM 161 CD PRO A 11 2.703 -12.196 0.564 1.00 0.00 C ATOM 0 HA PRO A 11 -0.537 -12.052 0.246 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.844 -10.639 -1.707 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.836 -10.091 -0.043 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.944 -11.668 -1.507 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.146 -10.325 -0.400 1.00 0.00 H new ATOM 0 HD2 PRO A 11 3.517 -12.902 0.401 1.00 0.00 H new ATOM 0 HD3 PRO A 11 2.911 -11.680 1.501 1.00 0.00 H new ATOM 169 N VAL A 12 1.054 -13.759 -2.025 1.00 0.00 N ATOM 170 CA VAL A 12 0.851 -14.603 -3.196 1.00 0.00 C ATOM 171 C VAL A 12 -0.264 -15.615 -2.956 1.00 0.00 C ATOM 172 O VAL A 12 -0.860 -16.133 -3.902 1.00 0.00 O ATOM 173 CB VAL A 12 2.140 -15.356 -3.576 1.00 0.00 C ATOM 174 CG1 VAL A 12 2.314 -16.590 -2.704 1.00 0.00 C ATOM 175 CG2 VAL A 12 2.122 -15.733 -5.050 1.00 0.00 C ATOM 0 H VAL A 12 2.008 -13.761 -1.664 1.00 0.00 H new ATOM 0 HA VAL A 12 0.570 -13.944 -4.017 1.00 0.00 H new ATOM 0 HB VAL A 12 2.990 -14.696 -3.404 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.230 -17.109 -2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.375 -16.291 -1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.462 -17.256 -2.842 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.040 -16.264 -5.301 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.265 -16.375 -5.251 1.00 0.00 H new ATOM 0 HG23 VAL A 12 2.048 -14.830 -5.656 1.00 0.00 H new ATOM 185 N TYR A 13 -0.542 -15.891 -1.688 1.00 0.00 N ATOM 186 CA TYR A 13 -1.584 -16.844 -1.323 1.00 0.00 C ATOM 187 C TYR A 13 -2.970 -16.260 -1.577 1.00 0.00 C ATOM 188 O TYR A 13 -3.819 -16.893 -2.205 1.00 0.00 O ATOM 189 CB TYR A 13 -1.448 -17.243 0.147 1.00 0.00 C ATOM 190 CG TYR A 13 -0.844 -18.615 0.348 1.00 0.00 C ATOM 191 CD1 TYR A 13 0.267 -19.020 -0.382 1.00 0.00 C ATOM 192 CD2 TYR A 13 -1.383 -19.505 1.268 1.00 0.00 C ATOM 193 CE1 TYR A 13 0.822 -20.272 -0.202 1.00 0.00 C ATOM 194 CE2 TYR A 13 -0.833 -20.758 1.456 1.00 0.00 C ATOM 195 CZ TYR A 13 0.269 -21.138 0.719 1.00 0.00 C ATOM 196 OH TYR A 13 0.819 -22.385 0.902 1.00 0.00 O ATOM 0 H TYR A 13 -0.060 -15.468 -0.894 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.464 -17.731 -1.946 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -0.831 -16.505 0.660 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -2.432 -17.216 0.615 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.704 -18.344 -1.102 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -2.247 -19.212 1.846 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.684 -20.572 -0.779 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -1.264 -21.437 2.177 1.00 0.00 H new ATOM 0 HH TYR A 13 0.312 -22.869 1.587 1.00 0.00 H new ATOM 206 N CYS A 14 -3.193 -15.046 -1.084 1.00 0.00 N ATOM 207 CA CYS A 14 -4.474 -14.373 -1.257 1.00 0.00 C ATOM 208 C CYS A 14 -4.721 -14.042 -2.726 1.00 0.00 C ATOM 209 O CYS A 14 -5.866 -13.951 -3.169 1.00 0.00 O ATOM 210 CB CYS A 14 -4.519 -13.094 -0.421 1.00 0.00 C ATOM 211 SG CYS A 14 -6.034 -12.907 0.574 1.00 0.00 S ATOM 0 H CYS A 14 -2.502 -14.508 -0.561 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.259 -15.049 -0.918 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.656 -13.077 0.245 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.426 -12.235 -1.086 1.00 0.00 H new ATOM 216 N SER A 15 -3.638 -13.863 -3.477 1.00 0.00 N ATOM 217 CA SER A 15 -3.737 -13.537 -4.894 1.00 0.00 C ATOM 218 C SER A 15 -4.083 -14.776 -5.714 1.00 0.00 C ATOM 219 O SER A 15 -5.024 -14.765 -6.509 1.00 0.00 O ATOM 220 CB SER A 15 -2.423 -12.933 -5.394 1.00 0.00 C ATOM 221 OG SER A 15 -2.222 -11.636 -4.857 1.00 0.00 O ATOM 0 H SER A 15 -2.683 -13.938 -3.127 1.00 0.00 H new ATOM 0 HA SER A 15 -4.536 -12.805 -5.017 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.592 -13.579 -5.113 1.00 0.00 H new ATOM 0 HB3 SER A 15 -2.433 -12.882 -6.483 1.00 0.00 H new ATOM 0 HG SER A 15 -1.375 -11.272 -5.190 1.00 0.00 H new ATOM 227 N ILE A 16 -3.317 -15.843 -5.514 1.00 0.00 N ATOM 228 CA ILE A 16 -3.544 -17.091 -6.232 1.00 0.00 C ATOM 229 C ILE A 16 -4.863 -17.733 -5.815 1.00 0.00 C ATOM 230 O ILE A 16 -5.601 -18.258 -6.649 1.00 0.00 O ATOM 231 CB ILE A 16 -2.399 -18.094 -5.992 1.00 0.00 C ATOM 232 CG1 ILE A 16 -1.067 -17.501 -6.453 1.00 0.00 C ATOM 233 CG2 ILE A 16 -2.682 -19.402 -6.716 1.00 0.00 C ATOM 234 CD1 ILE A 16 0.140 -18.180 -5.845 1.00 0.00 C ATOM 0 H ILE A 16 -2.534 -15.868 -4.861 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.583 -16.843 -7.293 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.333 -18.299 -4.924 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.004 -17.571 -7.539 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.043 -16.441 -6.200 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.865 -20.101 -6.537 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.613 -19.830 -6.344 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.771 -19.214 -7.786 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.049 -17.707 -6.217 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.101 -18.088 -4.760 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.141 -19.235 -6.120 1.00 0.00 H new ATOM 246 N LEU A 17 -5.154 -17.685 -4.520 1.00 0.00 N ATOM 247 CA LEU A 17 -6.387 -18.259 -3.991 1.00 0.00 C ATOM 248 C LEU A 17 -7.606 -17.508 -4.516 1.00 0.00 C ATOM 249 O LEU A 17 -8.510 -18.106 -5.100 1.00 0.00 O ATOM 250 CB LEU A 17 -6.373 -18.226 -2.461 1.00 0.00 C ATOM 251 CG LEU A 17 -7.597 -18.822 -1.766 1.00 0.00 C ATOM 252 CD1 LEU A 17 -7.198 -20.020 -0.916 1.00 0.00 C ATOM 253 CD2 LEU A 17 -8.293 -17.770 -0.915 1.00 0.00 C ATOM 0 H LEU A 17 -4.553 -17.255 -3.817 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.449 -19.295 -4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.488 -18.759 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.267 -17.189 -2.141 1.00 0.00 H new ATOM 0 HG LEU A 17 -8.295 -19.161 -2.531 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.082 -20.431 -0.429 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.746 -20.782 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.480 -19.706 -0.159 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.162 -18.213 -0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -7.602 -17.399 -0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.614 -16.943 -1.549 1.00 0.00 H new ATOM 265 N ALA A 18 -7.624 -16.197 -4.306 1.00 0.00 N ATOM 266 CA ALA A 18 -8.729 -15.365 -4.764 1.00 0.00 C ATOM 267 C ALA A 18 -9.039 -15.622 -6.234 1.00 0.00 C ATOM 268 O ALA A 18 -10.196 -15.809 -6.610 1.00 0.00 O ATOM 269 CB ALA A 18 -8.410 -13.894 -4.540 1.00 0.00 C ATOM 0 H ALA A 18 -6.885 -15.687 -3.821 1.00 0.00 H new ATOM 0 HA ALA A 18 -9.613 -15.627 -4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.244 -13.284 -4.887 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.246 -13.715 -3.477 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.511 -13.628 -5.095 1.00 0.00 H new ATOM 275 N ALA A 19 -7.998 -15.631 -7.060 1.00 0.00 N ATOM 276 CA ALA A 19 -8.161 -15.866 -8.490 1.00 0.00 C ATOM 277 C ALA A 19 -8.899 -17.175 -8.751 1.00 0.00 C ATOM 278 O ALA A 19 -9.934 -17.194 -9.416 1.00 0.00 O ATOM 279 CB ALA A 19 -6.805 -15.877 -9.180 1.00 0.00 C ATOM 0 H ALA A 19 -7.034 -15.479 -6.764 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.760 -15.053 -8.901 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.941 -16.053 -10.247 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.313 -14.916 -9.031 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.188 -16.670 -8.757 1.00 0.00 H new ATOM 285 N VAL A 20 -8.358 -18.270 -8.222 1.00 0.00 N ATOM 286 CA VAL A 20 -8.966 -19.583 -8.398 1.00 0.00 C ATOM 287 C VAL A 20 -10.432 -19.571 -7.978 1.00 0.00 C ATOM 288 O VAL A 20 -11.265 -20.254 -8.573 1.00 0.00 O ATOM 289 CB VAL A 20 -8.220 -20.659 -7.586 1.00 0.00 C ATOM 290 CG1 VAL A 20 -8.806 -22.036 -7.860 1.00 0.00 C ATOM 291 CG2 VAL A 20 -6.733 -20.631 -7.906 1.00 0.00 C ATOM 0 H VAL A 20 -7.501 -18.272 -7.669 1.00 0.00 H new ATOM 0 HA VAL A 20 -8.897 -19.825 -9.459 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.345 -20.441 -6.525 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.267 -22.783 -7.278 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.859 -22.046 -7.577 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -8.713 -22.266 -8.921 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.221 -21.397 -7.324 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -6.586 -20.824 -8.969 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.325 -19.652 -7.655 1.00 0.00 H new ATOM 301 N VAL A 21 -10.740 -18.789 -6.948 1.00 0.00 N ATOM 302 CA VAL A 21 -12.106 -18.686 -6.448 1.00 0.00 C ATOM 303 C VAL A 21 -12.980 -17.877 -7.399 1.00 0.00 C ATOM 304 O VAL A 21 -14.102 -18.273 -7.718 1.00 0.00 O ATOM 305 CB VAL A 21 -12.146 -18.036 -5.053 1.00 0.00 C ATOM 306 CG1 VAL A 21 -13.581 -17.904 -4.566 1.00 0.00 C ATOM 307 CG2 VAL A 21 -11.312 -18.840 -4.067 1.00 0.00 C ATOM 0 H VAL A 21 -10.062 -18.218 -6.444 1.00 0.00 H new ATOM 0 HA VAL A 21 -12.494 -19.702 -6.378 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.719 -17.036 -5.125 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -13.589 -17.443 -3.579 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -14.146 -17.283 -5.261 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -14.038 -18.892 -4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -11.351 -18.366 -3.086 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.708 -19.853 -3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.278 -18.877 -4.411 1.00 0.00 H new ATOM 317 N VAL A 22 -12.460 -16.741 -7.851 1.00 0.00 N ATOM 318 CA VAL A 22 -13.191 -15.875 -8.769 1.00 0.00 C ATOM 319 C VAL A 22 -13.632 -16.639 -10.012 1.00 0.00 C ATOM 320 O VAL A 22 -14.823 -16.731 -10.307 1.00 0.00 O ATOM 321 CB VAL A 22 -12.340 -14.665 -9.198 1.00 0.00 C ATOM 322 CG1 VAL A 22 -13.126 -13.768 -10.142 1.00 0.00 C ATOM 323 CG2 VAL A 22 -11.868 -13.887 -7.979 1.00 0.00 C ATOM 0 H VAL A 22 -11.534 -16.398 -7.596 1.00 0.00 H new ATOM 0 HA VAL A 22 -14.071 -15.519 -8.234 1.00 0.00 H new ATOM 0 HB VAL A 22 -11.461 -15.030 -9.730 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -12.509 -12.918 -10.435 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -13.409 -14.334 -11.030 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -14.024 -13.408 -9.639 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -11.268 -13.036 -8.301 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -12.732 -13.531 -7.418 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.265 -14.536 -7.344 1.00 0.00 H new ATOM 333 N GLY A 23 -12.663 -17.189 -10.737 1.00 0.00 N ATOM 334 CA GLY A 23 -12.970 -17.940 -11.940 1.00 0.00 C ATOM 335 C GLY A 23 -13.865 -19.132 -11.666 1.00 0.00 C ATOM 336 O GLY A 23 -14.893 -19.311 -12.320 1.00 0.00 O ATOM 0 H GLY A 23 -11.670 -17.128 -10.512 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.456 -17.283 -12.661 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -12.042 -18.284 -12.397 1.00 0.00 H new ATOM 340 N LEU A 24 -13.473 -19.953 -10.698 1.00 0.00 N ATOM 341 CA LEU A 24 -14.247 -21.136 -10.338 1.00 0.00 C ATOM 342 C LEU A 24 -15.706 -20.776 -10.080 1.00 0.00 C ATOM 343 O LEU A 24 -16.606 -21.247 -10.776 1.00 0.00 O ATOM 344 CB LEU A 24 -13.648 -21.804 -9.100 1.00 0.00 C ATOM 345 CG LEU A 24 -14.416 -23.006 -8.547 1.00 0.00 C ATOM 346 CD1 LEU A 24 -14.371 -24.166 -9.529 1.00 0.00 C ATOM 347 CD2 LEU A 24 -13.851 -23.425 -7.198 1.00 0.00 C ATOM 0 H LEU A 24 -12.624 -19.821 -10.148 1.00 0.00 H new ATOM 0 HA LEU A 24 -14.208 -21.833 -11.175 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -12.634 -22.125 -9.340 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -13.567 -21.056 -8.311 1.00 0.00 H new ATOM 0 HG LEU A 24 -15.457 -22.715 -8.408 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -14.922 -25.012 -9.118 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -14.823 -23.861 -10.473 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -13.335 -24.457 -9.701 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -14.409 -24.281 -6.820 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.802 -23.698 -7.312 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.936 -22.597 -6.495 1.00 0.00 H new ATOM 359 N VAL A 25 -15.933 -19.934 -9.076 1.00 0.00 N ATOM 360 CA VAL A 25 -17.283 -19.506 -8.729 1.00 0.00 C ATOM 361 C VAL A 25 -18.003 -18.920 -9.939 1.00 0.00 C ATOM 362 O VAL A 25 -19.213 -19.077 -10.090 1.00 0.00 O ATOM 363 CB VAL A 25 -17.266 -18.459 -7.599 1.00 0.00 C ATOM 364 CG1 VAL A 25 -18.681 -18.015 -7.261 1.00 0.00 C ATOM 365 CG2 VAL A 25 -16.565 -19.014 -6.369 1.00 0.00 C ATOM 0 H VAL A 25 -15.200 -19.535 -8.489 1.00 0.00 H new ATOM 0 HA VAL A 25 -17.818 -20.392 -8.386 1.00 0.00 H new ATOM 0 HB VAL A 25 -16.710 -17.587 -7.944 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -18.649 -17.276 -6.461 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -19.145 -17.575 -8.144 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -19.265 -18.876 -6.936 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -16.562 -18.261 -5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -17.091 -19.902 -6.020 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -15.538 -19.277 -6.623 1.00 0.00 H new ATOM 375 N ALA A 26 -17.248 -18.244 -10.799 1.00 0.00 N ATOM 376 CA ALA A 26 -17.813 -17.636 -11.997 1.00 0.00 C ATOM 377 C ALA A 26 -18.210 -18.698 -13.016 1.00 0.00 C ATOM 378 O ALA A 26 -19.141 -18.503 -13.799 1.00 0.00 O ATOM 379 CB ALA A 26 -16.821 -16.658 -12.609 1.00 0.00 C ATOM 0 H ALA A 26 -16.244 -18.104 -10.688 1.00 0.00 H new ATOM 0 HA ALA A 26 -18.713 -17.092 -11.710 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -17.255 -16.211 -13.503 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -16.590 -15.875 -11.887 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.906 -17.187 -12.876 1.00 0.00 H new ATOM 385 N TYR A 27 -17.498 -19.820 -13.004 1.00 0.00 N ATOM 386 CA TYR A 27 -17.776 -20.911 -13.928 1.00 0.00 C ATOM 387 C TYR A 27 -19.021 -21.684 -13.502 1.00 0.00 C ATOM 388 O TYR A 27 -19.789 -22.157 -14.340 1.00 0.00 O ATOM 389 CB TYR A 27 -16.577 -21.858 -14.008 1.00 0.00 C ATOM 390 CG TYR A 27 -16.768 -22.996 -14.985 1.00 0.00 C ATOM 391 CD1 TYR A 27 -16.754 -22.770 -16.356 1.00 0.00 C ATOM 392 CD2 TYR A 27 -16.961 -24.298 -14.538 1.00 0.00 C ATOM 393 CE1 TYR A 27 -16.928 -23.807 -17.253 1.00 0.00 C ATOM 394 CE2 TYR A 27 -17.134 -25.340 -15.427 1.00 0.00 C ATOM 395 CZ TYR A 27 -17.117 -25.090 -16.783 1.00 0.00 C ATOM 396 OH TYR A 27 -17.290 -26.126 -17.673 1.00 0.00 O ATOM 0 H TYR A 27 -16.724 -19.997 -12.364 1.00 0.00 H new ATOM 0 HA TYR A 27 -17.958 -20.481 -14.913 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -15.693 -21.288 -14.295 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -16.383 -22.269 -13.017 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -16.605 -21.767 -16.727 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -16.976 -24.498 -13.477 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -16.916 -23.614 -18.316 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -17.282 -26.346 -15.062 1.00 0.00 H new ATOM 0 HH TYR A 27 -17.409 -26.964 -17.180 1.00 0.00 H new ATOM 406 N ILE A 28 -19.214 -21.805 -12.192 1.00 0.00 N ATOM 407 CA ILE A 28 -20.365 -22.518 -11.654 1.00 0.00 C ATOM 408 C ILE A 28 -21.608 -21.635 -11.655 1.00 0.00 C ATOM 409 O ILE A 28 -22.689 -22.068 -12.055 1.00 0.00 O ATOM 410 CB ILE A 28 -20.100 -23.010 -10.219 1.00 0.00 C ATOM 411 CG1 ILE A 28 -18.894 -23.951 -10.193 1.00 0.00 C ATOM 412 CG2 ILE A 28 -21.334 -23.706 -9.662 1.00 0.00 C ATOM 413 CD1 ILE A 28 -17.765 -23.463 -9.312 1.00 0.00 C ATOM 0 H ILE A 28 -18.588 -21.419 -11.485 1.00 0.00 H new ATOM 0 HA ILE A 28 -20.534 -23.379 -12.300 1.00 0.00 H new ATOM 0 HB ILE A 28 -19.877 -22.148 -9.590 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -19.217 -24.932 -9.846 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -18.522 -24.079 -11.209 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -21.132 -24.048 -8.647 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -22.171 -23.008 -9.649 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -21.584 -24.561 -10.290 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -16.944 -24.180 -9.342 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -17.415 -22.495 -9.672 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -18.121 -23.362 -8.287 1.00 0.00 H new ATOM 425 N ALA A 29 -21.447 -20.394 -11.207 1.00 0.00 N ATOM 426 CA ALA A 29 -22.555 -19.449 -11.161 1.00 0.00 C ATOM 427 C ALA A 29 -23.087 -19.157 -12.560 1.00 0.00 C ATOM 428 O ALA A 29 -24.252 -19.422 -12.861 1.00 0.00 O ATOM 429 CB ALA A 29 -22.122 -18.160 -10.479 1.00 0.00 C ATOM 0 H ALA A 29 -20.560 -20.020 -10.871 1.00 0.00 H new ATOM 0 HA ALA A 29 -23.360 -19.900 -10.582 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -22.960 -17.463 -10.452 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -21.798 -18.378 -9.461 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -21.297 -17.714 -11.035 1.00 0.00 H new ATOM 435 N PHE A 30 -22.227 -18.608 -13.412 1.00 0.00 N ATOM 436 CA PHE A 30 -22.610 -18.279 -14.779 1.00 0.00 C ATOM 437 C PHE A 30 -23.400 -19.420 -15.413 1.00 0.00 C ATOM 438 O PHE A 30 -24.514 -19.226 -15.901 1.00 0.00 O ATOM 439 CB PHE A 30 -21.370 -17.974 -15.621 1.00 0.00 C ATOM 440 CG PHE A 30 -21.676 -17.252 -16.901 1.00 0.00 C ATOM 441 CD1 PHE A 30 -22.380 -17.880 -17.915 1.00 0.00 C ATOM 442 CD2 PHE A 30 -21.260 -15.943 -17.091 1.00 0.00 C ATOM 443 CE1 PHE A 30 -22.662 -17.218 -19.095 1.00 0.00 C ATOM 444 CE2 PHE A 30 -21.539 -15.276 -18.269 1.00 0.00 C ATOM 445 CZ PHE A 30 -22.242 -15.914 -19.271 1.00 0.00 C ATOM 0 H PHE A 30 -21.260 -18.382 -13.179 1.00 0.00 H new ATOM 0 HA PHE A 30 -23.245 -17.394 -14.747 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -20.679 -17.372 -15.030 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -20.860 -18.909 -15.854 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -22.712 -18.899 -17.782 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -20.711 -15.439 -16.309 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -23.210 -17.720 -19.879 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -21.207 -14.257 -18.405 1.00 0.00 H new ATOM 0 HZ PHE A 30 -22.463 -15.394 -20.191 1.00 0.00 H new ATOM 455 N LYS A 31 -22.816 -20.613 -15.403 1.00 0.00 N ATOM 456 CA LYS A 31 -23.462 -21.789 -15.974 1.00 0.00 C ATOM 457 C LYS A 31 -24.785 -22.077 -15.272 1.00 0.00 C ATOM 458 O LYS A 31 -25.791 -22.367 -15.919 1.00 0.00 O ATOM 459 CB LYS A 31 -22.540 -23.005 -15.869 1.00 0.00 C ATOM 460 CG LYS A 31 -21.622 -23.178 -17.066 1.00 0.00 C ATOM 461 CD LYS A 31 -21.385 -24.645 -17.381 1.00 0.00 C ATOM 462 CE LYS A 31 -21.831 -24.992 -18.793 1.00 0.00 C ATOM 463 NZ LYS A 31 -21.464 -26.387 -19.164 1.00 0.00 N1+ ATOM 0 H LYS A 31 -21.894 -20.791 -15.005 1.00 0.00 H new ATOM 0 HA LYS A 31 -23.666 -21.586 -17.025 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -21.934 -22.914 -14.967 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -23.148 -23.903 -15.755 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -22.059 -22.685 -17.934 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -20.668 -22.689 -16.868 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -20.326 -24.876 -17.266 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -21.926 -25.264 -16.665 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -22.911 -24.867 -18.874 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -21.376 -24.297 -19.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -21.785 -26.584 -20.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -20.431 -26.500 -19.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -21.919 -27.052 -18.506 1.00 0.00 H new ATOM 477 N ARG A 32 -24.776 -21.995 -13.946 1.00 0.00 N ATOM 478 CA ARG A 32 -25.975 -22.248 -13.156 1.00 0.00 C ATOM 479 C ARG A 32 -27.090 -21.278 -13.535 1.00 0.00 C ATOM 480 O ARG A 32 -28.272 -21.583 -13.378 1.00 0.00 O ATOM 481 CB ARG A 32 -25.664 -22.125 -11.664 1.00 0.00 C ATOM 482 CG ARG A 32 -26.807 -22.567 -10.764 1.00 0.00 C ATOM 483 CD ARG A 32 -26.314 -22.930 -9.373 1.00 0.00 C ATOM 484 NE ARG A 32 -27.354 -22.758 -8.361 1.00 0.00 N ATOM 485 CZ ARG A 32 -27.669 -21.585 -7.824 1.00 0.00 C ATOM 486 NH1 ARG A 32 -27.029 -20.486 -8.199 1.00 0.00 N1+ ATOM 487 NH2 ARG A 32 -28.627 -21.510 -6.909 1.00 0.00 N ATOM 0 H ARG A 32 -23.951 -21.755 -13.396 1.00 0.00 H new ATOM 0 HA ARG A 32 -26.311 -23.263 -13.368 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -24.781 -22.722 -11.435 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -25.415 -21.088 -11.438 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -27.545 -21.768 -10.692 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -27.310 -23.426 -11.208 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -25.971 -23.965 -9.368 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -25.455 -22.309 -9.119 1.00 0.00 H new ATOM 0 HE ARG A 32 -27.866 -23.584 -8.050 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -26.292 -20.540 -8.902 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -27.274 -19.587 -7.784 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -29.121 -22.353 -6.618 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -28.869 -20.609 -6.497 1.00 0.00 H new ATOM 808 N PRO B 111 -7.839 -14.883 9.083 1.00 0.00 N ATOM 809 CA PRO B 111 -8.284 -15.535 7.846 1.00 0.00 C ATOM 810 C PRO B 111 -9.483 -14.831 7.219 1.00 0.00 C ATOM 811 O PRO B 111 -9.577 -14.715 5.997 1.00 0.00 O ATOM 812 CB PRO B 111 -8.670 -16.941 8.307 1.00 0.00 C ATOM 813 CG PRO B 111 -9.016 -16.788 9.747 1.00 0.00 C ATOM 814 CD PRO B 111 -8.120 -15.700 10.274 1.00 0.00 C ATOM 0 HA PRO B 111 -7.512 -15.521 7.076 1.00 0.00 H new ATOM 0 HB2 PRO B 111 -9.515 -17.326 7.736 1.00 0.00 H new ATOM 0 HB3 PRO B 111 -7.847 -17.642 8.170 1.00 0.00 H new ATOM 0 HG2 PRO B 111 -10.066 -16.523 9.870 1.00 0.00 H new ATOM 0 HG3 PRO B 111 -8.857 -17.721 10.288 1.00 0.00 H new ATOM 0 HD2 PRO B 111 -8.611 -15.118 11.054 1.00 0.00 H new ATOM 0 HD3 PRO B 111 -7.206 -16.107 10.707 1.00 0.00 H new ATOM 822 N VAL B 112 -10.396 -14.362 8.062 1.00 0.00 N ATOM 823 CA VAL B 112 -11.589 -13.669 7.590 1.00 0.00 C ATOM 824 C VAL B 112 -11.223 -12.528 6.648 1.00 0.00 C ATOM 825 O VAL B 112 -12.013 -12.144 5.785 1.00 0.00 O ATOM 826 CB VAL B 112 -12.413 -13.107 8.763 1.00 0.00 C ATOM 827 CG1 VAL B 112 -11.775 -11.838 9.304 1.00 0.00 C ATOM 828 CG2 VAL B 112 -13.849 -12.850 8.330 1.00 0.00 C ATOM 0 H VAL B 112 -10.333 -14.449 9.076 1.00 0.00 H new ATOM 0 HA VAL B 112 -12.190 -14.403 7.053 1.00 0.00 H new ATOM 0 HB VAL B 112 -12.426 -13.847 9.563 1.00 0.00 H new ATOM 0 HG11 VAL B 112 -12.371 -11.456 10.132 1.00 0.00 H new ATOM 0 HG12 VAL B 112 -10.767 -12.059 9.654 1.00 0.00 H new ATOM 0 HG13 VAL B 112 -11.729 -11.089 8.514 1.00 0.00 H new ATOM 0 HG21 VAL B 112 -14.417 -12.453 9.171 1.00 0.00 H new ATOM 0 HG22 VAL B 112 -13.859 -12.129 7.513 1.00 0.00 H new ATOM 0 HG23 VAL B 112 -14.301 -13.784 7.995 1.00 0.00 H new ATOM 838 N TYR B 113 -10.020 -11.989 6.818 1.00 0.00 N ATOM 839 CA TYR B 113 -9.549 -10.890 5.982 1.00 0.00 C ATOM 840 C TYR B 113 -9.361 -11.346 4.539 1.00 0.00 C ATOM 841 O TYR B 113 -9.839 -10.702 3.604 1.00 0.00 O ATOM 842 CB TYR B 113 -8.233 -10.334 6.529 1.00 0.00 C ATOM 843 CG TYR B 113 -8.388 -9.017 7.255 1.00 0.00 C ATOM 844 CD1 TYR B 113 -9.399 -8.831 8.190 1.00 0.00 C ATOM 845 CD2 TYR B 113 -7.525 -7.958 7.004 1.00 0.00 C ATOM 846 CE1 TYR B 113 -9.544 -7.628 8.855 1.00 0.00 C ATOM 847 CE2 TYR B 113 -7.662 -6.752 7.665 1.00 0.00 C ATOM 848 CZ TYR B 113 -8.673 -6.592 8.589 1.00 0.00 C ATOM 849 OH TYR B 113 -8.813 -5.393 9.249 1.00 0.00 O ATOM 0 H TYR B 113 -9.354 -12.295 7.527 1.00 0.00 H new ATOM 0 HA TYR B 113 -10.303 -10.103 6.000 1.00 0.00 H new ATOM 0 HB2 TYR B 113 -7.794 -11.065 7.209 1.00 0.00 H new ATOM 0 HB3 TYR B 113 -7.532 -10.204 5.704 1.00 0.00 H new ATOM 0 HD1 TYR B 113 -10.083 -9.640 8.401 1.00 0.00 H new ATOM 0 HD2 TYR B 113 -6.733 -8.079 6.280 1.00 0.00 H new ATOM 0 HE1 TYR B 113 -10.335 -7.500 9.579 1.00 0.00 H new ATOM 0 HE2 TYR B 113 -6.981 -5.939 7.459 1.00 0.00 H new ATOM 0 HH TYR B 113 -8.119 -4.770 8.947 1.00 0.00 H new ATOM 859 N CYS B 114 -8.662 -12.463 4.364 1.00 0.00 N ATOM 860 CA CYS B 114 -8.411 -13.008 3.036 1.00 0.00 C ATOM 861 C CYS B 114 -9.709 -13.477 2.385 1.00 0.00 C ATOM 862 O CYS B 114 -9.852 -13.438 1.162 1.00 0.00 O ATOM 863 CB CYS B 114 -7.419 -14.170 3.118 1.00 0.00 C ATOM 864 SG CYS B 114 -5.807 -13.828 2.341 1.00 0.00 S ATOM 0 H CYS B 114 -8.259 -13.008 5.126 1.00 0.00 H new ATOM 0 HA CYS B 114 -7.983 -12.216 2.421 1.00 0.00 H new ATOM 0 HB2 CYS B 114 -7.259 -14.424 4.166 1.00 0.00 H new ATOM 0 HB3 CYS B 114 -7.861 -15.045 2.642 1.00 0.00 H new ATOM 869 N SER B 115 -10.652 -13.921 3.210 1.00 0.00 N ATOM 870 CA SER B 115 -11.936 -14.401 2.715 1.00 0.00 C ATOM 871 C SER B 115 -12.808 -13.238 2.252 1.00 0.00 C ATOM 872 O SER B 115 -13.344 -13.254 1.142 1.00 0.00 O ATOM 873 CB SER B 115 -12.662 -15.194 3.804 1.00 0.00 C ATOM 874 OG SER B 115 -12.016 -16.430 4.050 1.00 0.00 O ATOM 0 H SER B 115 -10.550 -13.958 4.224 1.00 0.00 H new ATOM 0 HA SER B 115 -11.748 -15.054 1.863 1.00 0.00 H new ATOM 0 HB2 SER B 115 -12.696 -14.609 4.723 1.00 0.00 H new ATOM 0 HB3 SER B 115 -13.694 -15.373 3.501 1.00 0.00 H new ATOM 0 HG SER B 115 -12.498 -16.917 4.751 1.00 0.00 H new ATOM 880 N ILE B 116 -12.947 -12.232 3.108 1.00 0.00 N ATOM 881 CA ILE B 116 -13.753 -11.060 2.786 1.00 0.00 C ATOM 882 C ILE B 116 -13.197 -10.328 1.570 1.00 0.00 C ATOM 883 O ILE B 116 -13.950 -9.794 0.755 1.00 0.00 O ATOM 884 CB ILE B 116 -13.823 -10.082 3.973 1.00 0.00 C ATOM 885 CG1 ILE B 116 -14.484 -10.754 5.178 1.00 0.00 C ATOM 886 CG2 ILE B 116 -14.583 -8.824 3.579 1.00 0.00 C ATOM 887 CD1 ILE B 116 -14.095 -10.137 6.503 1.00 0.00 C ATOM 0 H ILE B 116 -12.512 -12.204 4.030 1.00 0.00 H new ATOM 0 HA ILE B 116 -14.758 -11.419 2.562 1.00 0.00 H new ATOM 0 HB ILE B 116 -12.808 -9.798 4.251 1.00 0.00 H new ATOM 0 HG12 ILE B 116 -15.567 -10.700 5.065 1.00 0.00 H new ATOM 0 HG13 ILE B 116 -14.217 -11.811 5.186 1.00 0.00 H new ATOM 0 HG21 ILE B 116 -14.624 -8.143 4.429 1.00 0.00 H new ATOM 0 HG22 ILE B 116 -14.074 -8.337 2.747 1.00 0.00 H new ATOM 0 HG23 ILE B 116 -15.596 -9.090 3.278 1.00 0.00 H new ATOM 0 HD11 ILE B 116 -14.601 -10.664 7.312 1.00 0.00 H new ATOM 0 HD12 ILE B 116 -13.016 -10.215 6.638 1.00 0.00 H new ATOM 0 HD13 ILE B 116 -14.387 -9.087 6.515 1.00 0.00 H new ATOM 899 N LEU B 117 -11.874 -10.308 1.452 1.00 0.00 N ATOM 900 CA LEU B 117 -11.216 -9.642 0.334 1.00 0.00 C ATOM 901 C LEU B 117 -11.536 -10.343 -0.983 1.00 0.00 C ATOM 902 O LEU B 117 -12.053 -9.728 -1.914 1.00 0.00 O ATOM 903 CB LEU B 117 -9.701 -9.611 0.552 1.00 0.00 C ATOM 904 CG LEU B 117 -8.865 -9.084 -0.614 1.00 0.00 C ATOM 905 CD1 LEU B 117 -8.093 -7.841 -0.199 1.00 0.00 C ATOM 906 CD2 LEU B 117 -7.916 -10.161 -1.119 1.00 0.00 C ATOM 0 H LEU B 117 -11.236 -10.745 2.117 1.00 0.00 H new ATOM 0 HA LEU B 117 -11.591 -8.620 0.282 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -9.493 -8.997 1.428 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -9.367 -10.622 0.784 1.00 0.00 H new ATOM 0 HG LEU B 117 -9.539 -8.812 -1.426 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -7.504 -7.480 -1.042 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -8.793 -7.065 0.113 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -7.429 -8.085 0.630 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -7.329 -9.768 -1.949 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -7.248 -10.464 -0.313 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -8.491 -11.023 -1.457 1.00 0.00 H new ATOM 918 N ALA B 118 -11.228 -11.633 -1.050 1.00 0.00 N ATOM 919 CA ALA B 118 -11.487 -12.419 -2.251 1.00 0.00 C ATOM 920 C ALA B 118 -12.923 -12.234 -2.728 1.00 0.00 C ATOM 921 O ALA B 118 -13.168 -12.005 -3.913 1.00 0.00 O ATOM 922 CB ALA B 118 -11.202 -13.891 -1.989 1.00 0.00 C ATOM 0 H ALA B 118 -10.799 -12.157 -0.287 1.00 0.00 H new ATOM 0 HA ALA B 118 -10.821 -12.065 -3.038 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -11.399 -14.466 -2.893 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -10.158 -14.014 -1.701 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -11.844 -14.248 -1.184 1.00 0.00 H new ATOM 928 N ALA B 119 -13.868 -12.333 -1.800 1.00 0.00 N ATOM 929 CA ALA B 119 -15.280 -12.174 -2.127 1.00 0.00 C ATOM 930 C ALA B 119 -15.535 -10.847 -2.833 1.00 0.00 C ATOM 931 O ALA B 119 -16.071 -10.814 -3.940 1.00 0.00 O ATOM 932 CB ALA B 119 -16.128 -12.276 -0.868 1.00 0.00 C ATOM 0 H ALA B 119 -13.682 -12.523 -0.815 1.00 0.00 H new ATOM 0 HA ALA B 119 -15.562 -12.977 -2.808 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -17.180 -12.155 -1.127 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -15.978 -13.252 -0.406 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -15.835 -11.494 -0.168 1.00 0.00 H new ATOM 938 N VAL B 120 -15.146 -9.754 -2.184 1.00 0.00 N ATOM 939 CA VAL B 120 -15.331 -8.423 -2.750 1.00 0.00 C ATOM 940 C VAL B 120 -14.752 -8.339 -4.158 1.00 0.00 C ATOM 941 O VAL B 120 -15.298 -7.657 -5.026 1.00 0.00 O ATOM 942 CB VAL B 120 -14.673 -7.342 -1.872 1.00 0.00 C ATOM 943 CG1 VAL B 120 -14.951 -5.956 -2.433 1.00 0.00 C ATOM 944 CG2 VAL B 120 -15.164 -7.453 -0.436 1.00 0.00 C ATOM 0 H VAL B 120 -14.701 -9.764 -1.266 1.00 0.00 H new ATOM 0 HA VAL B 120 -16.405 -8.244 -2.790 1.00 0.00 H new ATOM 0 HB VAL B 120 -13.595 -7.500 -1.878 1.00 0.00 H new ATOM 0 HG11 VAL B 120 -14.478 -5.206 -1.799 1.00 0.00 H new ATOM 0 HG12 VAL B 120 -14.547 -5.885 -3.443 1.00 0.00 H new ATOM 0 HG13 VAL B 120 -16.027 -5.783 -2.459 1.00 0.00 H new ATOM 0 HG21 VAL B 120 -14.690 -6.682 0.171 1.00 0.00 H new ATOM 0 HG22 VAL B 120 -16.246 -7.321 -0.410 1.00 0.00 H new ATOM 0 HG23 VAL B 120 -14.909 -8.436 -0.039 1.00 0.00 H new ATOM 954 N VAL B 121 -13.643 -9.037 -4.378 1.00 0.00 N ATOM 955 CA VAL B 121 -12.990 -9.043 -5.682 1.00 0.00 C ATOM 956 C VAL B 121 -13.779 -9.874 -6.688 1.00 0.00 C ATOM 957 O VAL B 121 -13.984 -9.458 -7.828 1.00 0.00 O ATOM 958 CB VAL B 121 -11.555 -9.597 -5.589 1.00 0.00 C ATOM 959 CG1 VAL B 121 -10.903 -9.625 -6.963 1.00 0.00 C ATOM 960 CG2 VAL B 121 -10.729 -8.771 -4.614 1.00 0.00 C ATOM 0 H VAL B 121 -13.178 -9.606 -3.671 1.00 0.00 H new ATOM 0 HA VAL B 121 -12.951 -8.008 -6.021 1.00 0.00 H new ATOM 0 HB VAL B 121 -11.602 -10.620 -5.215 1.00 0.00 H new ATOM 0 HG11 VAL B 121 -9.890 -10.019 -6.877 1.00 0.00 H new ATOM 0 HG12 VAL B 121 -11.485 -10.262 -7.629 1.00 0.00 H new ATOM 0 HG13 VAL B 121 -10.866 -8.614 -7.369 1.00 0.00 H new ATOM 0 HG21 VAL B 121 -9.718 -9.175 -4.560 1.00 0.00 H new ATOM 0 HG22 VAL B 121 -10.688 -7.737 -4.957 1.00 0.00 H new ATOM 0 HG23 VAL B 121 -11.188 -8.808 -3.626 1.00 0.00 H new ATOM 970 N VAL B 122 -14.219 -11.052 -6.258 1.00 0.00 N ATOM 971 CA VAL B 122 -14.986 -11.943 -7.120 1.00 0.00 C ATOM 972 C VAL B 122 -16.215 -11.239 -7.684 1.00 0.00 C ATOM 973 O VAL B 122 -16.369 -11.113 -8.899 1.00 0.00 O ATOM 974 CB VAL B 122 -15.434 -13.208 -6.364 1.00 0.00 C ATOM 975 CG1 VAL B 122 -16.229 -14.126 -7.281 1.00 0.00 C ATOM 976 CG2 VAL B 122 -14.231 -13.935 -5.781 1.00 0.00 C ATOM 0 H VAL B 122 -14.057 -11.412 -5.317 1.00 0.00 H new ATOM 0 HA VAL B 122 -14.329 -12.233 -7.940 1.00 0.00 H new ATOM 0 HB VAL B 122 -16.082 -12.907 -5.541 1.00 0.00 H new ATOM 0 HG11 VAL B 122 -16.537 -15.014 -6.729 1.00 0.00 H new ATOM 0 HG12 VAL B 122 -17.112 -13.601 -7.645 1.00 0.00 H new ATOM 0 HG13 VAL B 122 -15.608 -14.422 -8.127 1.00 0.00 H new ATOM 0 HG21 VAL B 122 -14.566 -14.826 -5.250 1.00 0.00 H new ATOM 0 HG22 VAL B 122 -13.556 -14.225 -6.586 1.00 0.00 H new ATOM 0 HG23 VAL B 122 -13.708 -13.276 -5.088 1.00 0.00 H new ATOM 986 N GLY B 123 -17.089 -10.781 -6.792 1.00 0.00 N ATOM 987 CA GLY B 123 -18.294 -10.095 -7.220 1.00 0.00 C ATOM 988 C GLY B 123 -17.996 -8.844 -8.023 1.00 0.00 C ATOM 989 O GLY B 123 -18.544 -8.648 -9.109 1.00 0.00 O ATOM 0 H GLY B 123 -16.984 -10.873 -5.782 1.00 0.00 H new ATOM 0 HA2 GLY B 123 -18.900 -10.773 -7.821 1.00 0.00 H new ATOM 0 HA3 GLY B 123 -18.887 -9.829 -6.345 1.00 0.00 H new ATOM 993 N LEU B 124 -17.126 -7.994 -7.490 1.00 0.00 N ATOM 994 CA LEU B 124 -16.756 -6.754 -8.163 1.00 0.00 C ATOM 995 C LEU B 124 -16.288 -7.027 -9.589 1.00 0.00 C ATOM 996 O LEU B 124 -16.899 -6.568 -10.553 1.00 0.00 O ATOM 997 CB LEU B 124 -15.655 -6.035 -7.382 1.00 0.00 C ATOM 998 CG LEU B 124 -15.104 -4.758 -8.018 1.00 0.00 C ATOM 999 CD1 LEU B 124 -16.173 -3.677 -8.055 1.00 0.00 C ATOM 1000 CD2 LEU B 124 -13.877 -4.271 -7.262 1.00 0.00 C ATOM 0 H LEU B 124 -16.663 -8.141 -6.593 1.00 0.00 H new ATOM 0 HA LEU B 124 -17.639 -6.116 -8.206 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -16.041 -5.787 -6.393 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -14.828 -6.730 -7.236 1.00 0.00 H new ATOM 0 HG LEU B 124 -14.808 -4.984 -9.042 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -15.763 -2.776 -8.511 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -17.023 -4.026 -8.641 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -16.500 -3.454 -7.039 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -13.499 -3.362 -7.729 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -14.147 -4.062 -6.227 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -13.105 -5.040 -7.288 1.00 0.00 H new