USER MOD reduce.3.24.130724 H: found=0, std=0, add=461, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 463 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 67 THR OG1 : rot 180:sc= -1.18 USER MOD Set 1.2: A 70 SER OG : rot -105:sc= 1.17 USER MOD Single : A 15 MET CE :methyl -123:sc= -0.049 (180deg=-0.384) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 TYR OH : rot 30:sc= -0.0206 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 157:sc= -2.16 (180deg=-3.28!) USER MOD Single : A 36 GLN : amide:sc= -0.358 K(o=-0.36,f=-3.1!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.152 X(o=-0.15,f=-0.032) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot -66:sc= -2.99! USER MOD Single : A 46 CYS SG : rot -32:sc= -0.0211 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 54:sc= -3.01! USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.346 USER MOD Single : A 72 GLN : amide:sc= -0.0267 X(o=-0.027,f=-0.48) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -151:sc= -0.334 (180deg=-1.08) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 185 N MET A 15 7.590 -9.128 8.254 1.00 0.00 N ATOM 186 CA MET A 15 8.389 -7.931 8.459 1.00 0.00 C ATOM 187 C MET A 15 7.582 -6.671 8.140 1.00 0.00 C ATOM 188 O MET A 15 6.562 -6.740 7.455 1.00 0.00 O ATOM 189 CB MET A 15 9.628 -7.985 7.564 1.00 0.00 C ATOM 190 CG MET A 15 9.251 -8.359 6.128 1.00 0.00 C ATOM 191 SD MET A 15 10.525 -7.816 5.002 1.00 0.00 S ATOM 192 CE MET A 15 10.170 -6.068 4.951 1.00 0.00 C ATOM 0 HA MET A 15 8.688 -7.892 9.506 1.00 0.00 H new ATOM 0 HB2 MET A 15 10.129 -7.017 7.572 1.00 0.00 H new ATOM 0 HB3 MET A 15 10.335 -8.714 7.960 1.00 0.00 H new ATOM 0 HG2 MET A 15 9.118 -9.438 6.047 1.00 0.00 H new ATOM 0 HG3 MET A 15 8.299 -7.900 5.862 1.00 0.00 H new ATOM 0 HE1 MET A 15 9.990 -5.763 3.920 1.00 0.00 H new ATOM 0 HE2 MET A 15 9.285 -5.859 5.551 1.00 0.00 H new ATOM 0 HE3 MET A 15 11.019 -5.513 5.350 1.00 0.00 H new ATOM 202 N THR A 16 8.068 -5.550 8.650 1.00 0.00 N ATOM 203 CA THR A 16 7.405 -4.277 8.428 1.00 0.00 C ATOM 204 C THR A 16 8.264 -3.376 7.538 1.00 0.00 C ATOM 205 O THR A 16 9.487 -3.356 7.665 1.00 0.00 O ATOM 206 CB THR A 16 7.092 -3.662 9.793 1.00 0.00 C ATOM 207 OG1 THR A 16 6.160 -4.568 10.377 1.00 0.00 O ATOM 208 CG2 THR A 16 6.315 -2.349 9.680 1.00 0.00 C ATOM 0 H THR A 16 8.914 -5.497 9.217 1.00 0.00 H new ATOM 0 HA THR A 16 6.465 -4.409 7.892 1.00 0.00 H new ATOM 0 HB THR A 16 8.022 -3.487 10.334 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.904 -4.246 11.267 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.119 -1.955 10.677 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.902 -1.626 9.113 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.369 -2.529 9.169 1.00 0.00 H new ATOM 216 N GLU A 17 7.589 -2.652 6.657 1.00 0.00 N ATOM 217 CA GLU A 17 8.275 -1.751 5.747 1.00 0.00 C ATOM 218 C GLU A 17 7.560 -0.400 5.697 1.00 0.00 C ATOM 219 O GLU A 17 6.335 -0.338 5.797 1.00 0.00 O ATOM 220 CB GLU A 17 8.387 -2.364 4.349 1.00 0.00 C ATOM 221 CG GLU A 17 9.123 -1.423 3.395 1.00 0.00 C ATOM 222 CD GLU A 17 10.637 -1.510 3.598 1.00 0.00 C ATOM 223 OE1 GLU A 17 11.254 -2.357 2.916 1.00 0.00 O ATOM 224 OE2 GLU A 17 11.144 -0.728 4.431 1.00 0.00 O ATOM 0 H GLU A 17 6.574 -2.671 6.554 1.00 0.00 H new ATOM 0 HA GLU A 17 9.287 -1.591 6.120 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.916 -3.315 4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.391 -2.576 3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.876 -1.678 2.364 1.00 0.00 H new ATOM 0 HG3 GLU A 17 8.789 -0.399 3.559 1.00 0.00 H new ATOM 231 N GLU A 18 8.354 0.649 5.542 1.00 0.00 N ATOM 232 CA GLU A 18 7.812 1.996 5.478 1.00 0.00 C ATOM 233 C GLU A 18 7.904 2.538 4.050 1.00 0.00 C ATOM 234 O GLU A 18 8.958 3.012 3.629 1.00 0.00 O ATOM 235 CB GLU A 18 8.526 2.922 6.463 1.00 0.00 C ATOM 236 CG GLU A 18 8.199 4.388 6.174 1.00 0.00 C ATOM 237 CD GLU A 18 8.464 5.262 7.401 1.00 0.00 C ATOM 238 OE1 GLU A 18 7.568 5.306 8.271 1.00 0.00 O ATOM 239 OE2 GLU A 18 9.558 5.867 7.442 1.00 0.00 O ATOM 0 H GLU A 18 9.369 0.594 5.459 1.00 0.00 H new ATOM 0 HA GLU A 18 6.761 1.957 5.764 1.00 0.00 H new ATOM 0 HB2 GLU A 18 8.229 2.674 7.482 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.603 2.766 6.398 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.801 4.740 5.336 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.154 4.479 5.877 1.00 0.00 H new ATOM 246 N TYR A 19 6.787 2.449 3.344 1.00 0.00 N ATOM 247 CA TYR A 19 6.728 2.925 1.972 1.00 0.00 C ATOM 248 C TYR A 19 5.991 4.263 1.887 1.00 0.00 C ATOM 249 O TYR A 19 4.888 4.402 2.412 1.00 0.00 O ATOM 250 CB TYR A 19 5.939 1.871 1.193 1.00 0.00 C ATOM 251 CG TYR A 19 6.136 1.940 -0.322 1.00 0.00 C ATOM 252 CD1 TYR A 19 7.402 1.828 -0.859 1.00 0.00 C ATOM 253 CD2 TYR A 19 5.047 2.113 -1.152 1.00 0.00 C ATOM 254 CE1 TYR A 19 7.588 1.894 -2.286 1.00 0.00 C ATOM 255 CE2 TYR A 19 5.232 2.178 -2.579 1.00 0.00 C ATOM 256 CZ TYR A 19 6.494 2.065 -3.075 1.00 0.00 C ATOM 257 OH TYR A 19 6.669 2.127 -4.423 1.00 0.00 O ATOM 0 H TYR A 19 5.915 2.054 3.696 1.00 0.00 H new ATOM 0 HA TYR A 19 7.732 3.074 1.574 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.232 0.881 1.542 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.879 1.987 1.417 1.00 0.00 H new ATOM 0 HD1 TYR A 19 8.254 1.691 -0.209 1.00 0.00 H new ATOM 0 HD2 TYR A 19 4.056 2.200 -0.732 1.00 0.00 H new ATOM 0 HE1 TYR A 19 8.574 1.810 -2.719 1.00 0.00 H new ATOM 0 HE2 TYR A 19 4.389 2.313 -3.240 1.00 0.00 H new ATOM 0 HH TYR A 19 7.448 1.590 -4.677 1.00 0.00 H new ATOM 267 N LYS A 20 6.631 5.213 1.220 1.00 0.00 N ATOM 268 CA LYS A 20 6.050 6.535 1.059 1.00 0.00 C ATOM 269 C LYS A 20 5.462 6.661 -0.348 1.00 0.00 C ATOM 270 O LYS A 20 6.045 6.172 -1.314 1.00 0.00 O ATOM 271 CB LYS A 20 7.078 7.617 1.395 1.00 0.00 C ATOM 272 CG LYS A 20 7.166 7.839 2.906 1.00 0.00 C ATOM 273 CD LYS A 20 7.096 9.329 3.246 1.00 0.00 C ATOM 274 CE LYS A 20 8.049 9.675 4.392 1.00 0.00 C ATOM 275 NZ LYS A 20 9.234 10.399 3.879 1.00 0.00 N ATOM 0 H LYS A 20 7.546 5.093 0.785 1.00 0.00 H new ATOM 0 HA LYS A 20 5.229 6.678 1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.055 7.328 1.009 1.00 0.00 H new ATOM 0 HB3 LYS A 20 6.804 8.550 0.902 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.353 7.310 3.403 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.098 7.419 3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.351 9.919 2.366 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.076 9.595 3.524 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.532 10.288 5.130 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.364 8.763 4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 9.871 10.626 4.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 9.735 9.801 3.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 8.930 11.279 3.415 1.00 0.00 H new ATOM 289 N VAL A 21 4.314 7.318 -0.418 1.00 0.00 N ATOM 290 CA VAL A 21 3.641 7.515 -1.691 1.00 0.00 C ATOM 291 C VAL A 21 3.184 8.970 -1.802 1.00 0.00 C ATOM 292 O VAL A 21 3.066 9.666 -0.795 1.00 0.00 O ATOM 293 CB VAL A 21 2.492 6.515 -1.835 1.00 0.00 C ATOM 294 CG1 VAL A 21 3.015 5.130 -2.223 1.00 0.00 C ATOM 295 CG2 VAL A 21 1.660 6.447 -0.553 1.00 0.00 C ATOM 0 H VAL A 21 3.833 7.721 0.386 1.00 0.00 H new ATOM 0 HA VAL A 21 4.325 7.326 -2.518 1.00 0.00 H new ATOM 0 HB VAL A 21 1.843 6.865 -2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.178 4.439 -2.319 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.543 5.194 -3.174 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.697 4.770 -1.453 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.850 5.729 -0.682 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.294 6.133 0.276 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.242 7.430 -0.338 1.00 0.00 H new ATOM 305 N PRO A 22 2.932 9.399 -3.068 1.00 0.00 N ATOM 306 CA PRO A 22 2.490 10.759 -3.324 1.00 0.00 C ATOM 307 C PRO A 22 1.022 10.942 -2.933 1.00 0.00 C ATOM 308 O PRO A 22 0.141 10.297 -3.499 1.00 0.00 O ATOM 309 CB PRO A 22 2.743 10.983 -4.806 1.00 0.00 C ATOM 310 CG PRO A 22 2.880 9.599 -5.419 1.00 0.00 C ATOM 311 CD PRO A 22 3.061 8.603 -4.285 1.00 0.00 C ATOM 0 HA PRO A 22 3.028 11.495 -2.726 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.921 11.533 -5.264 1.00 0.00 H new ATOM 0 HB3 PRO A 22 3.647 11.571 -4.963 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.995 9.352 -6.006 1.00 0.00 H new ATOM 0 HG3 PRO A 22 3.733 9.565 -6.097 1.00 0.00 H new ATOM 0 HD2 PRO A 22 2.308 7.816 -4.325 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.034 8.115 -4.338 1.00 0.00 H new ATOM 319 N ASP A 23 0.805 11.824 -1.969 1.00 0.00 N ATOM 320 CA ASP A 23 -0.541 12.099 -1.496 1.00 0.00 C ATOM 321 C ASP A 23 -1.429 12.473 -2.686 1.00 0.00 C ATOM 322 O ASP A 23 -2.648 12.324 -2.626 1.00 0.00 O ATOM 323 CB ASP A 23 -0.551 13.271 -0.513 1.00 0.00 C ATOM 324 CG ASP A 23 -1.932 13.861 -0.223 1.00 0.00 C ATOM 325 OD1 ASP A 23 -2.850 13.055 0.040 1.00 0.00 O ATOM 326 OD2 ASP A 23 -2.039 15.106 -0.272 1.00 0.00 O ATOM 0 H ASP A 23 1.539 12.358 -1.502 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.911 11.205 -0.995 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -0.109 12.941 0.427 1.00 0.00 H new ATOM 0 HB3 ASP A 23 0.089 14.061 -0.906 1.00 0.00 H new ATOM 331 N GLY A 24 -0.782 12.951 -3.738 1.00 0.00 N ATOM 332 CA GLY A 24 -1.497 13.347 -4.940 1.00 0.00 C ATOM 333 C GLY A 24 -1.984 12.122 -5.716 1.00 0.00 C ATOM 334 O GLY A 24 -2.760 12.251 -6.662 1.00 0.00 O ATOM 0 H GLY A 24 0.230 13.073 -3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.347 13.974 -4.672 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.845 13.948 -5.574 1.00 0.00 H new ATOM 338 N MET A 25 -1.509 10.962 -5.288 1.00 0.00 N ATOM 339 CA MET A 25 -1.887 9.715 -5.931 1.00 0.00 C ATOM 340 C MET A 25 -2.588 8.779 -4.945 1.00 0.00 C ATOM 341 O MET A 25 -3.510 8.055 -5.318 1.00 0.00 O ATOM 342 CB MET A 25 -0.638 9.028 -6.487 1.00 0.00 C ATOM 343 CG MET A 25 0.050 9.904 -7.535 1.00 0.00 C ATOM 344 SD MET A 25 -1.098 10.308 -8.841 1.00 0.00 S ATOM 345 CE MET A 25 -1.240 8.714 -9.632 1.00 0.00 C ATOM 0 H MET A 25 -0.865 10.859 -4.503 1.00 0.00 H new ATOM 0 HA MET A 25 -2.579 9.942 -6.742 1.00 0.00 H new ATOM 0 HB2 MET A 25 0.056 8.815 -5.674 1.00 0.00 H new ATOM 0 HB3 MET A 25 -0.912 8.071 -6.931 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.421 10.817 -7.070 1.00 0.00 H new ATOM 0 HG3 MET A 25 0.914 9.382 -7.947 1.00 0.00 H new ATOM 0 HE1 MET A 25 -2.180 8.663 -10.181 1.00 0.00 H new ATOM 0 HE2 MET A 25 -0.409 8.575 -10.323 1.00 0.00 H new ATOM 0 HE3 MET A 25 -1.218 7.929 -8.876 1.00 0.00 H new ATOM 355 N VAL A 26 -2.125 8.825 -3.704 1.00 0.00 N ATOM 356 CA VAL A 26 -2.696 7.990 -2.661 1.00 0.00 C ATOM 357 C VAL A 26 -4.223 8.039 -2.753 1.00 0.00 C ATOM 358 O VAL A 26 -4.881 7.000 -2.757 1.00 0.00 O ATOM 359 CB VAL A 26 -2.166 8.426 -1.293 1.00 0.00 C ATOM 360 CG1 VAL A 26 -2.940 9.636 -0.766 1.00 0.00 C ATOM 361 CG2 VAL A 26 -2.211 7.268 -0.294 1.00 0.00 C ATOM 0 H VAL A 26 -1.361 9.427 -3.398 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.395 6.951 -2.796 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.124 8.722 -1.415 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.544 9.926 0.207 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.834 10.467 -1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.994 9.378 -0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.829 7.604 0.670 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.240 6.927 -0.178 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.596 6.446 -0.661 1.00 0.00 H new ATOM 371 N GLY A 27 -4.741 9.256 -2.826 1.00 0.00 N ATOM 372 CA GLY A 27 -6.177 9.454 -2.919 1.00 0.00 C ATOM 373 C GLY A 27 -6.780 8.584 -4.024 1.00 0.00 C ATOM 374 O GLY A 27 -7.938 8.177 -3.936 1.00 0.00 O ATOM 0 H GLY A 27 -4.191 10.115 -2.823 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.644 9.211 -1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.391 10.504 -3.120 1.00 0.00 H new ATOM 378 N PHE A 28 -5.968 8.325 -5.038 1.00 0.00 N ATOM 379 CA PHE A 28 -6.407 7.510 -6.159 1.00 0.00 C ATOM 380 C PHE A 28 -6.018 6.045 -5.957 1.00 0.00 C ATOM 381 O PHE A 28 -6.641 5.149 -6.526 1.00 0.00 O ATOM 382 CB PHE A 28 -5.700 8.047 -7.405 1.00 0.00 C ATOM 383 CG PHE A 28 -5.570 7.023 -8.535 1.00 0.00 C ATOM 384 CD1 PHE A 28 -6.617 6.213 -8.843 1.00 0.00 C ATOM 385 CD2 PHE A 28 -4.406 6.925 -9.231 1.00 0.00 C ATOM 386 CE1 PHE A 28 -6.495 5.263 -9.891 1.00 0.00 C ATOM 387 CE2 PHE A 28 -4.284 5.975 -10.280 1.00 0.00 C ATOM 388 CZ PHE A 28 -5.332 5.164 -10.588 1.00 0.00 C ATOM 0 H PHE A 28 -5.009 8.665 -5.107 1.00 0.00 H new ATOM 0 HA PHE A 28 -7.492 7.559 -6.254 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -6.247 8.914 -7.775 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.705 8.393 -7.125 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -7.542 6.292 -8.291 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.574 7.569 -8.986 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -7.327 4.619 -10.135 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -3.360 5.897 -10.833 1.00 0.00 H new ATOM 0 HZ PHE A 28 -5.240 4.442 -11.386 1.00 0.00 H new ATOM 398 N ILE A 29 -4.990 5.845 -5.145 1.00 0.00 N ATOM 399 CA ILE A 29 -4.511 4.503 -4.861 1.00 0.00 C ATOM 400 C ILE A 29 -5.619 3.706 -4.169 1.00 0.00 C ATOM 401 O ILE A 29 -5.851 2.544 -4.499 1.00 0.00 O ATOM 402 CB ILE A 29 -3.204 4.557 -4.067 1.00 0.00 C ATOM 403 CG1 ILE A 29 -2.114 5.286 -4.855 1.00 0.00 C ATOM 404 CG2 ILE A 29 -2.764 3.156 -3.639 1.00 0.00 C ATOM 405 CD1 ILE A 29 -0.722 4.894 -4.355 1.00 0.00 C ATOM 0 H ILE A 29 -4.476 6.590 -4.675 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.273 3.980 -5.787 1.00 0.00 H new ATOM 0 HB ILE A 29 -3.380 5.130 -3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.205 5.047 -5.915 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.249 6.363 -4.759 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.833 3.223 -3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -3.535 2.708 -3.012 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.610 2.537 -4.523 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.035 5.426 -4.932 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.627 5.157 -3.301 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.581 3.820 -4.475 1.00 0.00 H new ATOM 417 N ILE A 30 -6.273 4.362 -3.222 1.00 0.00 N ATOM 418 CA ILE A 30 -7.350 3.729 -2.481 1.00 0.00 C ATOM 419 C ILE A 30 -8.373 3.157 -3.465 1.00 0.00 C ATOM 420 O ILE A 30 -8.645 1.958 -3.456 1.00 0.00 O ATOM 421 CB ILE A 30 -7.950 4.707 -1.468 1.00 0.00 C ATOM 422 CG1 ILE A 30 -6.854 5.507 -0.763 1.00 0.00 C ATOM 423 CG2 ILE A 30 -8.858 3.979 -0.475 1.00 0.00 C ATOM 424 CD1 ILE A 30 -6.923 6.987 -1.145 1.00 0.00 C ATOM 0 H ILE A 30 -6.078 5.326 -2.951 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.969 2.893 -1.895 1.00 0.00 H new ATOM 0 HB ILE A 30 -8.572 5.421 -2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.959 5.401 0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.877 5.104 -1.029 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.271 4.697 0.234 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -9.671 3.492 -1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -8.280 3.229 0.064 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -6.133 7.533 -0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.793 7.091 -2.222 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.892 7.393 -0.855 1.00 0.00 H new ATOM 436 N GLY A 31 -8.913 4.043 -4.289 1.00 0.00 N ATOM 437 CA GLY A 31 -9.900 3.642 -5.277 1.00 0.00 C ATOM 438 C GLY A 31 -11.296 4.131 -4.887 1.00 0.00 C ATOM 439 O GLY A 31 -11.505 4.597 -3.768 1.00 0.00 O ATOM 0 H GLY A 31 -8.686 5.037 -4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.629 4.046 -6.252 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.904 2.556 -5.372 1.00 0.00 H new ATOM 481 N GLU A 35 -11.174 -0.204 -3.366 1.00 0.00 N ATOM 482 CA GLU A 35 -11.046 -1.472 -4.065 1.00 0.00 C ATOM 483 C GLU A 35 -9.758 -1.495 -4.891 1.00 0.00 C ATOM 484 O GLU A 35 -9.198 -2.560 -5.143 1.00 0.00 O ATOM 485 CB GLU A 35 -12.268 -1.738 -4.946 1.00 0.00 C ATOM 486 CG GLU A 35 -12.062 -2.988 -5.805 1.00 0.00 C ATOM 487 CD GLU A 35 -13.363 -3.782 -5.938 1.00 0.00 C ATOM 488 OE1 GLU A 35 -14.168 -3.410 -6.819 1.00 0.00 O ATOM 489 OE2 GLU A 35 -13.525 -4.742 -5.154 1.00 0.00 O ATOM 0 HA GLU A 35 -10.993 -2.270 -3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.152 -1.864 -4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.452 -0.877 -5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.705 -2.699 -6.794 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.292 -3.617 -5.359 1.00 0.00 H new ATOM 496 N GLN A 36 -9.327 -0.307 -5.288 1.00 0.00 N ATOM 497 CA GLN A 36 -8.116 -0.177 -6.081 1.00 0.00 C ATOM 498 C GLN A 36 -6.914 -0.724 -5.307 1.00 0.00 C ATOM 499 O GLN A 36 -6.050 -1.385 -5.881 1.00 0.00 O ATOM 500 CB GLN A 36 -7.885 1.277 -6.495 1.00 0.00 C ATOM 501 CG GLN A 36 -6.544 1.435 -7.216 1.00 0.00 C ATOM 502 CD GLN A 36 -6.750 1.890 -8.663 1.00 0.00 C ATOM 503 OE1 GLN A 36 -7.858 2.128 -9.114 1.00 0.00 O ATOM 504 NE2 GLN A 36 -5.623 1.998 -9.361 1.00 0.00 N ATOM 0 H GLN A 36 -9.794 0.574 -5.076 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.236 -0.765 -6.991 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.694 1.606 -7.147 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.906 1.918 -5.613 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.926 2.161 -6.687 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.006 0.487 -7.202 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -4.728 1.783 -8.921 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.654 2.296 -10.336 1.00 0.00 H new ATOM 513 N ILE A 37 -6.898 -0.428 -4.015 1.00 0.00 N ATOM 514 CA ILE A 37 -5.817 -0.881 -3.157 1.00 0.00 C ATOM 515 C ILE A 37 -6.026 -2.359 -2.819 1.00 0.00 C ATOM 516 O ILE A 37 -5.067 -3.128 -2.763 1.00 0.00 O ATOM 517 CB ILE A 37 -5.695 0.020 -1.927 1.00 0.00 C ATOM 518 CG1 ILE A 37 -4.341 -0.169 -1.241 1.00 0.00 C ATOM 519 CG2 ILE A 37 -6.862 -0.206 -0.964 1.00 0.00 C ATOM 520 CD1 ILE A 37 -3.389 0.981 -1.580 1.00 0.00 C ATOM 0 H ILE A 37 -7.617 0.120 -3.542 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.861 -0.804 -3.675 1.00 0.00 H new ATOM 0 HB ILE A 37 -5.746 1.058 -2.257 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -4.481 -0.224 -0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -3.900 -1.115 -1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -6.751 0.447 -0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -7.801 0.019 -1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.867 -1.246 -0.636 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -2.434 0.822 -1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.232 1.018 -2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.822 1.923 -1.244 1.00 0.00 H new ATOM 532 N SER A 38 -7.284 -2.711 -2.602 1.00 0.00 N ATOM 533 CA SER A 38 -7.631 -4.083 -2.270 1.00 0.00 C ATOM 534 C SER A 38 -7.015 -5.040 -3.292 1.00 0.00 C ATOM 535 O SER A 38 -6.424 -6.053 -2.922 1.00 0.00 O ATOM 536 CB SER A 38 -9.149 -4.269 -2.216 1.00 0.00 C ATOM 537 OG SER A 38 -9.518 -5.429 -1.475 1.00 0.00 O ATOM 0 H SER A 38 -8.076 -2.070 -2.649 1.00 0.00 H new ATOM 0 HA SER A 38 -7.229 -4.309 -1.282 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.606 -3.389 -1.764 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.541 -4.346 -3.230 1.00 0.00 H new ATOM 0 HG SER A 38 -10.494 -5.512 -1.462 1.00 0.00 H new ATOM 543 N ARG A 39 -7.173 -4.685 -4.559 1.00 0.00 N ATOM 544 CA ARG A 39 -6.639 -5.499 -5.637 1.00 0.00 C ATOM 545 C ARG A 39 -5.126 -5.660 -5.482 1.00 0.00 C ATOM 546 O ARG A 39 -4.565 -6.686 -5.862 1.00 0.00 O ATOM 547 CB ARG A 39 -6.942 -4.875 -7.001 1.00 0.00 C ATOM 548 CG ARG A 39 -7.536 -5.911 -7.958 1.00 0.00 C ATOM 549 CD ARG A 39 -8.910 -5.466 -8.463 1.00 0.00 C ATOM 550 NE ARG A 39 -9.094 -5.890 -9.869 1.00 0.00 N ATOM 551 CZ ARG A 39 -8.307 -5.499 -10.881 1.00 0.00 C ATOM 552 NH1 ARG A 39 -7.278 -4.673 -10.649 1.00 0.00 N ATOM 553 NH2 ARG A 39 -8.549 -5.935 -12.125 1.00 0.00 N ATOM 0 H ARG A 39 -7.664 -3.844 -4.863 1.00 0.00 H new ATOM 0 HA ARG A 39 -7.119 -6.476 -5.583 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.639 -4.046 -6.879 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.028 -4.463 -7.428 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.864 -6.058 -8.803 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.625 -6.872 -7.451 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -9.693 -5.897 -7.839 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.001 -4.383 -8.386 1.00 0.00 H new ATOM 0 HE ARG A 39 -9.868 -6.519 -10.081 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.093 -4.342 -9.702 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.679 -4.376 -11.419 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.332 -6.564 -12.302 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.950 -5.637 -12.895 1.00 0.00 H new ATOM 567 N ILE A 40 -4.508 -4.630 -4.922 1.00 0.00 N ATOM 568 CA ILE A 40 -3.070 -4.644 -4.712 1.00 0.00 C ATOM 569 C ILE A 40 -2.750 -5.465 -3.461 1.00 0.00 C ATOM 570 O ILE A 40 -1.744 -6.171 -3.418 1.00 0.00 O ATOM 571 CB ILE A 40 -2.521 -3.217 -4.668 1.00 0.00 C ATOM 572 CG1 ILE A 40 -3.107 -2.369 -5.799 1.00 0.00 C ATOM 573 CG2 ILE A 40 -0.991 -3.217 -4.685 1.00 0.00 C ATOM 574 CD1 ILE A 40 -2.821 -0.883 -5.574 1.00 0.00 C ATOM 0 H ILE A 40 -4.977 -3.781 -4.607 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.567 -5.128 -5.549 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.832 -2.760 -3.729 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.683 -2.684 -6.752 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.183 -2.531 -5.860 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.627 -2.190 -4.653 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.617 -3.762 -3.818 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.637 -3.699 -5.596 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.248 -0.302 -6.392 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.267 -0.565 -4.632 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.744 -0.721 -5.538 1.00 0.00 H new ATOM 586 N GLN A 41 -3.625 -5.345 -2.473 1.00 0.00 N ATOM 587 CA GLN A 41 -3.448 -6.067 -1.225 1.00 0.00 C ATOM 588 C GLN A 41 -3.662 -7.566 -1.444 1.00 0.00 C ATOM 589 O GLN A 41 -3.044 -8.390 -0.771 1.00 0.00 O ATOM 590 CB GLN A 41 -4.389 -5.532 -0.144 1.00 0.00 C ATOM 591 CG GLN A 41 -3.799 -4.291 0.530 1.00 0.00 C ATOM 592 CD GLN A 41 -4.756 -3.734 1.586 1.00 0.00 C ATOM 593 OE1 GLN A 41 -4.811 -4.193 2.715 1.00 0.00 O ATOM 594 NE2 GLN A 41 -5.504 -2.721 1.158 1.00 0.00 N ATOM 0 H GLN A 41 -4.459 -4.758 -2.512 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.426 -5.912 -0.880 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.354 -5.286 -0.586 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.568 -6.306 0.603 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -2.846 -4.544 0.995 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -3.595 -3.527 -0.220 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.408 -2.385 0.200 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.174 -2.280 1.788 1.00 0.00 H new ATOM 603 N GLN A 42 -4.539 -7.875 -2.388 1.00 0.00 N ATOM 604 CA GLN A 42 -4.842 -9.261 -2.704 1.00 0.00 C ATOM 605 C GLN A 42 -3.849 -9.799 -3.735 1.00 0.00 C ATOM 606 O GLN A 42 -3.444 -10.959 -3.666 1.00 0.00 O ATOM 607 CB GLN A 42 -6.282 -9.407 -3.201 1.00 0.00 C ATOM 608 CG GLN A 42 -7.281 -9.129 -2.076 1.00 0.00 C ATOM 609 CD GLN A 42 -8.053 -10.397 -1.703 1.00 0.00 C ATOM 610 OE1 GLN A 42 -9.018 -10.779 -2.344 1.00 0.00 O ATOM 611 NE2 GLN A 42 -7.576 -11.024 -0.632 1.00 0.00 N ATOM 0 H GLN A 42 -5.050 -7.189 -2.944 1.00 0.00 H new ATOM 0 HA GLN A 42 -4.745 -9.851 -1.793 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -6.457 -8.717 -4.027 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -6.436 -10.414 -3.589 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -6.753 -8.750 -1.201 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.979 -8.352 -2.388 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.764 -10.650 -0.141 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -8.022 -11.879 -0.301 1.00 0.00 H new ATOM 620 N GLU A 43 -3.484 -8.931 -4.668 1.00 0.00 N ATOM 621 CA GLU A 43 -2.545 -9.306 -5.712 1.00 0.00 C ATOM 622 C GLU A 43 -1.223 -9.769 -5.096 1.00 0.00 C ATOM 623 O GLU A 43 -0.760 -10.874 -5.372 1.00 0.00 O ATOM 624 CB GLU A 43 -2.320 -8.149 -6.687 1.00 0.00 C ATOM 625 CG GLU A 43 -3.288 -8.232 -7.869 1.00 0.00 C ATOM 626 CD GLU A 43 -2.820 -9.272 -8.889 1.00 0.00 C ATOM 627 OE1 GLU A 43 -2.859 -10.470 -8.536 1.00 0.00 O ATOM 628 OE2 GLU A 43 -2.434 -8.845 -9.999 1.00 0.00 O ATOM 0 H GLU A 43 -3.821 -7.970 -4.723 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.971 -10.136 -6.276 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -2.455 -7.200 -6.168 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.293 -8.170 -7.051 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.284 -8.492 -7.510 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -3.366 -7.256 -8.349 1.00 0.00 H new ATOM 635 N SER A 44 -0.654 -8.900 -4.274 1.00 0.00 N ATOM 636 CA SER A 44 0.606 -9.206 -3.617 1.00 0.00 C ATOM 637 C SER A 44 0.346 -9.967 -2.316 1.00 0.00 C ATOM 638 O SER A 44 1.250 -10.598 -1.771 1.00 0.00 O ATOM 639 CB SER A 44 1.404 -7.931 -3.336 1.00 0.00 C ATOM 640 OG SER A 44 0.706 -7.046 -2.464 1.00 0.00 O ATOM 0 H SER A 44 -1.042 -7.984 -4.048 1.00 0.00 H new ATOM 0 HA SER A 44 1.197 -9.833 -4.285 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.364 -8.195 -2.892 1.00 0.00 H new ATOM 0 HB3 SER A 44 1.616 -7.421 -4.276 1.00 0.00 H new ATOM 0 HG SER A 44 -0.097 -6.710 -2.914 1.00 0.00 H new ATOM 646 N GLY A 45 -0.894 -9.884 -1.857 1.00 0.00 N ATOM 647 CA GLY A 45 -1.284 -10.558 -0.630 1.00 0.00 C ATOM 648 C GLY A 45 -0.572 -9.950 0.580 1.00 0.00 C ATOM 649 O GLY A 45 -0.309 -10.642 1.562 1.00 0.00 O ATOM 0 H GLY A 45 -1.642 -9.360 -2.312 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.363 -10.483 -0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -1.045 -11.619 -0.702 1.00 0.00 H new ATOM 653 N CYS A 46 -0.280 -8.662 0.469 1.00 0.00 N ATOM 654 CA CYS A 46 0.397 -7.953 1.542 1.00 0.00 C ATOM 655 C CYS A 46 -0.586 -6.952 2.151 1.00 0.00 C ATOM 656 O CYS A 46 -1.562 -6.565 1.509 1.00 0.00 O ATOM 657 CB CYS A 46 1.675 -7.271 1.051 1.00 0.00 C ATOM 658 SG CYS A 46 3.014 -7.492 2.279 1.00 0.00 S ATOM 0 H CYS A 46 -0.500 -8.091 -0.347 1.00 0.00 H new ATOM 0 HA CYS A 46 0.713 -8.662 2.307 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.977 -7.693 0.092 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.491 -6.209 0.889 1.00 0.00 H new ATOM 0 HG CYS A 46 2.505 -7.529 3.474 1.00 0.00 H new ATOM 664 N LYS A 47 -0.296 -6.561 3.383 1.00 0.00 N ATOM 665 CA LYS A 47 -1.142 -5.612 4.087 1.00 0.00 C ATOM 666 C LYS A 47 -0.666 -4.190 3.785 1.00 0.00 C ATOM 667 O LYS A 47 0.535 -3.937 3.704 1.00 0.00 O ATOM 668 CB LYS A 47 -1.189 -5.941 5.580 1.00 0.00 C ATOM 669 CG LYS A 47 -2.470 -5.402 6.220 1.00 0.00 C ATOM 670 CD LYS A 47 -3.036 -6.395 7.236 1.00 0.00 C ATOM 671 CE LYS A 47 -4.067 -5.723 8.145 1.00 0.00 C ATOM 672 NZ LYS A 47 -5.419 -5.812 7.549 1.00 0.00 N ATOM 0 H LYS A 47 0.514 -6.884 3.912 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.171 -5.685 3.736 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.135 -7.021 5.720 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.320 -5.511 6.078 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.263 -4.452 6.712 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.212 -5.205 5.446 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.498 -7.232 6.713 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.226 -6.804 7.840 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.063 -6.200 9.125 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.799 -4.678 8.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.107 -5.351 8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.423 -5.336 6.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.679 -6.811 7.425 1.00 0.00 H new ATOM 686 N ILE A 48 -1.633 -3.297 3.627 1.00 0.00 N ATOM 687 CA ILE A 48 -1.328 -1.907 3.336 1.00 0.00 C ATOM 688 C ILE A 48 -2.171 -1.005 4.239 1.00 0.00 C ATOM 689 O ILE A 48 -3.360 -0.809 3.991 1.00 0.00 O ATOM 690 CB ILE A 48 -1.504 -1.621 1.843 1.00 0.00 C ATOM 691 CG1 ILE A 48 -0.492 -2.410 1.010 1.00 0.00 C ATOM 692 CG2 ILE A 48 -1.433 -0.119 1.561 1.00 0.00 C ATOM 693 CD1 ILE A 48 -1.040 -2.698 -0.389 1.00 0.00 C ATOM 0 H ILE A 48 -2.628 -3.510 3.695 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.283 -1.692 3.557 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.497 -1.958 1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 48 0.438 -1.847 0.931 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.255 -3.348 1.512 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -1.561 0.057 0.493 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.224 0.392 2.110 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -0.464 0.265 1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.301 -3.260 -0.961 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.957 -3.282 -0.308 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -1.253 -1.757 -0.897 1.00 0.00 H new ATOM 705 N GLN A 49 -1.522 -0.479 5.268 1.00 0.00 N ATOM 706 CA GLN A 49 -2.197 0.398 6.209 1.00 0.00 C ATOM 707 C GLN A 49 -1.822 1.856 5.939 1.00 0.00 C ATOM 708 O GLN A 49 -0.755 2.312 6.348 1.00 0.00 O ATOM 709 CB GLN A 49 -1.874 0.007 7.652 1.00 0.00 C ATOM 710 CG GLN A 49 -2.819 -1.090 8.148 1.00 0.00 C ATOM 711 CD GLN A 49 -4.027 -0.488 8.868 1.00 0.00 C ATOM 712 OE1 GLN A 49 -4.664 0.441 8.398 1.00 0.00 O ATOM 713 NE2 GLN A 49 -4.306 -1.066 10.033 1.00 0.00 N ATOM 0 H GLN A 49 -0.536 -0.644 5.470 1.00 0.00 H new ATOM 0 HA GLN A 49 -3.273 0.288 6.070 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.843 -0.340 7.716 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -1.957 0.882 8.297 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.157 -1.693 7.305 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.284 -1.758 8.823 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.732 -1.840 10.369 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.094 -0.736 10.591 1.00 0.00 H new ATOM 722 N ILE A 50 -2.719 2.548 5.252 1.00 0.00 N ATOM 723 CA ILE A 50 -2.495 3.945 4.922 1.00 0.00 C ATOM 724 C ILE A 50 -3.171 4.827 5.974 1.00 0.00 C ATOM 725 O ILE A 50 -4.366 4.691 6.228 1.00 0.00 O ATOM 726 CB ILE A 50 -2.948 4.238 3.491 1.00 0.00 C ATOM 727 CG1 ILE A 50 -2.516 3.120 2.540 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.452 5.609 3.028 1.00 0.00 C ATOM 729 CD1 ILE A 50 -2.890 3.455 1.094 1.00 0.00 C ATOM 0 H ILE A 50 -3.603 2.167 4.915 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.430 4.176 4.947 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.037 4.269 3.477 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.439 2.969 2.615 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.990 2.184 2.834 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.788 5.792 2.007 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.851 6.381 3.685 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.363 5.632 3.061 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -2.572 2.644 0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -3.970 3.581 1.017 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.395 4.379 0.795 1.00 0.00 H new ATOM 741 N ALA A 51 -2.376 5.713 6.557 1.00 0.00 N ATOM 742 CA ALA A 51 -2.882 6.617 7.575 1.00 0.00 C ATOM 743 C ALA A 51 -3.873 7.593 6.937 1.00 0.00 C ATOM 744 O ALA A 51 -3.863 7.788 5.723 1.00 0.00 O ATOM 745 CB ALA A 51 -1.711 7.333 8.251 1.00 0.00 C ATOM 0 H ALA A 51 -1.385 5.824 6.343 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.415 6.064 8.348 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -2.091 8.011 9.015 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.053 6.597 8.714 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.153 7.901 7.507 1.00 0.00 H new ATOM 821 N PRO A 58 4.655 15.462 2.309 1.00 0.00 N ATOM 822 CA PRO A 58 4.220 15.446 0.923 1.00 0.00 C ATOM 823 C PRO A 58 3.803 14.038 0.495 1.00 0.00 C ATOM 824 O PRO A 58 2.972 13.877 -0.398 1.00 0.00 O ATOM 825 CB PRO A 58 5.404 15.981 0.133 1.00 0.00 C ATOM 826 CG PRO A 58 6.611 15.839 1.045 1.00 0.00 C ATOM 827 CD PRO A 58 6.104 15.565 2.451 1.00 0.00 C ATOM 0 HA PRO A 58 3.335 16.059 0.753 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.544 15.419 -0.790 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.247 17.022 -0.148 1.00 0.00 H new ATOM 0 HG2 PRO A 58 7.252 15.026 0.705 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.212 16.748 1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 58 6.529 14.645 2.853 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.379 16.368 3.135 1.00 0.00 H new ATOM 835 N GLU A 59 4.399 13.054 1.152 1.00 0.00 N ATOM 836 CA GLU A 59 4.100 11.664 0.851 1.00 0.00 C ATOM 837 C GLU A 59 3.346 11.019 2.015 1.00 0.00 C ATOM 838 O GLU A 59 3.612 11.325 3.177 1.00 0.00 O ATOM 839 CB GLU A 59 5.377 10.886 0.526 1.00 0.00 C ATOM 840 CG GLU A 59 5.926 11.280 -0.847 1.00 0.00 C ATOM 841 CD GLU A 59 7.388 11.720 -0.748 1.00 0.00 C ATOM 842 OE1 GLU A 59 7.618 12.795 -0.154 1.00 0.00 O ATOM 843 OE2 GLU A 59 8.242 10.970 -1.268 1.00 0.00 O ATOM 0 H GLU A 59 5.088 13.192 1.892 1.00 0.00 H new ATOM 0 HA GLU A 59 3.461 11.633 -0.031 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.129 11.079 1.291 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.170 9.816 0.545 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.842 10.436 -1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.326 12.089 -1.264 1.00 0.00 H new ATOM 850 N ARG A 60 2.421 10.138 1.664 1.00 0.00 N ATOM 851 CA ARG A 60 1.627 9.448 2.666 1.00 0.00 C ATOM 852 C ARG A 60 2.296 8.129 3.057 1.00 0.00 C ATOM 853 O ARG A 60 2.498 7.256 2.214 1.00 0.00 O ATOM 854 CB ARG A 60 0.216 9.161 2.148 1.00 0.00 C ATOM 855 CG ARG A 60 -0.526 8.201 3.080 1.00 0.00 C ATOM 856 CD ARG A 60 -1.305 8.968 4.151 1.00 0.00 C ATOM 857 NE ARG A 60 -0.453 9.178 5.343 1.00 0.00 N ATOM 858 CZ ARG A 60 -0.920 9.544 6.544 1.00 0.00 C ATOM 859 NH1 ARG A 60 -2.234 9.742 6.721 1.00 0.00 N ATOM 860 NH2 ARG A 60 -0.074 9.711 7.570 1.00 0.00 N ATOM 0 H ARG A 60 2.204 9.886 0.700 1.00 0.00 H new ATOM 0 HA ARG A 60 1.557 10.097 3.539 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.341 10.094 2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 60 0.272 8.731 1.148 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.211 7.582 2.500 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.187 7.527 3.556 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.634 9.929 3.755 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.202 8.413 4.428 1.00 0.00 H new ATOM 0 HE ARG A 60 0.552 9.035 5.244 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.879 9.614 5.941 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.589 10.021 7.636 1.00 0.00 H new ATOM 0 HH21 ARG A 60 0.926 9.559 7.436 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.430 9.990 8.484 1.00 0.00 H new ATOM 874 N SER A 61 2.623 8.025 4.337 1.00 0.00 N ATOM 875 CA SER A 61 3.266 6.828 4.851 1.00 0.00 C ATOM 876 C SER A 61 2.271 5.665 4.866 1.00 0.00 C ATOM 877 O SER A 61 1.162 5.799 5.380 1.00 0.00 O ATOM 878 CB SER A 61 3.828 7.063 6.255 1.00 0.00 C ATOM 879 OG SER A 61 4.530 5.925 6.746 1.00 0.00 O ATOM 0 H SER A 61 2.454 8.751 5.034 1.00 0.00 H new ATOM 0 HA SER A 61 4.098 6.578 4.193 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.498 7.923 6.238 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.013 7.308 6.936 1.00 0.00 H new ATOM 0 HG SER A 61 4.875 6.115 7.643 1.00 0.00 H new ATOM 885 N CYS A 62 2.705 4.551 4.295 1.00 0.00 N ATOM 886 CA CYS A 62 1.866 3.365 4.236 1.00 0.00 C ATOM 887 C CYS A 62 2.622 2.209 4.895 1.00 0.00 C ATOM 888 O CYS A 62 3.636 1.748 4.373 1.00 0.00 O ATOM 889 CB CYS A 62 1.455 3.034 2.800 1.00 0.00 C ATOM 890 SG CYS A 62 0.609 4.470 2.044 1.00 0.00 S ATOM 0 H CYS A 62 3.626 4.444 3.869 1.00 0.00 H new ATOM 0 HA CYS A 62 0.937 3.546 4.777 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.335 2.769 2.213 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.794 2.167 2.793 1.00 0.00 H new ATOM 0 HG CYS A 62 1.362 5.524 2.153 1.00 0.00 H new ATOM 896 N MET A 63 2.098 1.774 6.032 1.00 0.00 N ATOM 897 CA MET A 63 2.711 0.680 6.767 1.00 0.00 C ATOM 898 C MET A 63 2.305 -0.672 6.177 1.00 0.00 C ATOM 899 O MET A 63 1.132 -1.042 6.212 1.00 0.00 O ATOM 900 CB MET A 63 2.281 0.747 8.234 1.00 0.00 C ATOM 901 CG MET A 63 2.994 1.888 8.962 1.00 0.00 C ATOM 902 SD MET A 63 3.739 1.280 10.466 1.00 0.00 S ATOM 903 CE MET A 63 5.417 1.039 9.905 1.00 0.00 C ATOM 0 H MET A 63 1.257 2.159 6.462 1.00 0.00 H new ATOM 0 HA MET A 63 3.794 0.778 6.692 1.00 0.00 H new ATOM 0 HB2 MET A 63 1.202 0.890 8.294 1.00 0.00 H new ATOM 0 HB3 MET A 63 2.505 -0.199 8.726 1.00 0.00 H new ATOM 0 HG2 MET A 63 3.758 2.321 8.317 1.00 0.00 H new ATOM 0 HG3 MET A 63 2.285 2.683 9.193 1.00 0.00 H new ATOM 0 HE1 MET A 63 6.024 0.659 10.727 1.00 0.00 H new ATOM 0 HE2 MET A 63 5.427 0.322 9.084 1.00 0.00 H new ATOM 0 HE3 MET A 63 5.826 1.989 9.561 1.00 0.00 H new ATOM 913 N LEU A 64 3.298 -1.373 5.648 1.00 0.00 N ATOM 914 CA LEU A 64 3.059 -2.676 5.052 1.00 0.00 C ATOM 915 C LEU A 64 3.427 -3.768 6.058 1.00 0.00 C ATOM 916 O LEU A 64 4.350 -3.598 6.854 1.00 0.00 O ATOM 917 CB LEU A 64 3.795 -2.797 3.716 1.00 0.00 C ATOM 918 CG LEU A 64 3.517 -1.692 2.695 1.00 0.00 C ATOM 919 CD1 LEU A 64 4.721 -0.759 2.555 1.00 0.00 C ATOM 920 CD2 LEU A 64 3.091 -2.284 1.350 1.00 0.00 C ATOM 0 H LEU A 64 4.269 -1.063 5.620 1.00 0.00 H new ATOM 0 HA LEU A 64 2.001 -2.800 4.819 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.866 -2.820 3.915 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.534 -3.755 3.265 1.00 0.00 H new ATOM 0 HG LEU A 64 2.685 -1.090 3.061 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.497 0.017 1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.938 -0.298 3.518 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.588 -1.331 2.223 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.899 -1.478 0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 64 3.886 -2.923 0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.184 -2.873 1.483 1.00 0.00 H new ATOM 932 N THR A 65 2.688 -4.865 5.990 1.00 0.00 N ATOM 933 CA THR A 65 2.925 -5.985 6.885 1.00 0.00 C ATOM 934 C THR A 65 2.725 -7.310 6.147 1.00 0.00 C ATOM 935 O THR A 65 1.667 -7.547 5.565 1.00 0.00 O ATOM 936 CB THR A 65 2.010 -5.821 8.100 1.00 0.00 C ATOM 937 OG1 THR A 65 2.311 -4.517 8.589 1.00 0.00 O ATOM 938 CG2 THR A 65 2.395 -6.750 9.253 1.00 0.00 C ATOM 0 H THR A 65 1.924 -5.002 5.328 1.00 0.00 H new ATOM 0 HA THR A 65 3.957 -5.999 7.237 1.00 0.00 H new ATOM 0 HB THR A 65 0.979 -6.016 7.806 1.00 0.00 H new ATOM 0 HG1 THR A 65 1.760 -4.328 9.377 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.714 -6.593 10.090 1.00 0.00 H new ATOM 0 HG22 THR A 65 2.330 -7.787 8.922 1.00 0.00 H new ATOM 0 HG23 THR A 65 3.415 -6.533 9.570 1.00 0.00 H new ATOM 946 N GLY A 66 3.757 -8.139 6.194 1.00 0.00 N ATOM 947 CA GLY A 66 3.708 -9.434 5.537 1.00 0.00 C ATOM 948 C GLY A 66 5.097 -9.858 5.057 1.00 0.00 C ATOM 949 O GLY A 66 6.106 -9.321 5.511 1.00 0.00 O ATOM 0 H GLY A 66 4.633 -7.939 6.677 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.314 -10.181 6.226 1.00 0.00 H new ATOM 0 HA3 GLY A 66 3.024 -9.390 4.689 1.00 0.00 H new ATOM 953 N THR A 67 5.105 -10.818 4.144 1.00 0.00 N ATOM 954 CA THR A 67 6.354 -11.321 3.597 1.00 0.00 C ATOM 955 C THR A 67 7.068 -10.225 2.804 1.00 0.00 C ATOM 956 O THR A 67 6.458 -9.222 2.437 1.00 0.00 O ATOM 957 CB THR A 67 6.038 -12.566 2.765 1.00 0.00 C ATOM 958 OG1 THR A 67 5.405 -12.052 1.597 1.00 0.00 O ATOM 959 CG2 THR A 67 4.968 -13.447 3.412 1.00 0.00 C ATOM 0 H THR A 67 4.266 -11.261 3.769 1.00 0.00 H new ATOM 0 HA THR A 67 7.046 -11.609 4.389 1.00 0.00 H new ATOM 0 HB THR A 67 6.949 -13.147 2.622 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.168 -12.793 1.001 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.782 -14.316 2.781 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.312 -13.777 4.392 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.046 -12.876 3.525 1.00 0.00 H new ATOM 967 N PRO A 68 8.384 -10.460 2.555 1.00 0.00 N ATOM 968 CA PRO A 68 9.188 -9.505 1.812 1.00 0.00 C ATOM 969 C PRO A 68 8.861 -9.558 0.318 1.00 0.00 C ATOM 970 O PRO A 68 8.871 -8.532 -0.360 1.00 0.00 O ATOM 971 CB PRO A 68 10.628 -9.880 2.119 1.00 0.00 C ATOM 972 CG PRO A 68 10.585 -11.307 2.643 1.00 0.00 C ATOM 973 CD PRO A 68 9.139 -11.638 2.974 1.00 0.00 C ATOM 0 HA PRO A 68 8.989 -8.473 2.101 1.00 0.00 H new ATOM 0 HB2 PRO A 68 11.249 -9.811 1.226 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.058 -9.205 2.859 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.974 -12.000 1.897 1.00 0.00 H new ATOM 0 HG3 PRO A 68 11.212 -11.408 3.529 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.806 -12.531 2.445 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.011 -11.832 4.039 1.00 0.00 H new ATOM 981 N GLU A 69 8.579 -10.765 -0.150 1.00 0.00 N ATOM 982 CA GLU A 69 8.249 -10.965 -1.551 1.00 0.00 C ATOM 983 C GLU A 69 6.905 -10.312 -1.879 1.00 0.00 C ATOM 984 O GLU A 69 6.641 -9.971 -3.031 1.00 0.00 O ATOM 985 CB GLU A 69 8.237 -12.454 -1.904 1.00 0.00 C ATOM 986 CG GLU A 69 9.278 -12.772 -2.979 1.00 0.00 C ATOM 987 CD GLU A 69 10.475 -13.514 -2.380 1.00 0.00 C ATOM 988 OE1 GLU A 69 10.371 -14.754 -2.261 1.00 0.00 O ATOM 989 OE2 GLU A 69 11.466 -12.825 -2.056 1.00 0.00 O ATOM 0 H GLU A 69 8.572 -11.614 0.416 1.00 0.00 H new ATOM 0 HA GLU A 69 9.019 -10.488 -2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.440 -13.045 -1.011 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.246 -12.740 -2.257 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.824 -13.379 -3.762 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.616 -11.848 -3.448 1.00 0.00 H new ATOM 996 N SER A 70 6.090 -10.159 -0.846 1.00 0.00 N ATOM 997 CA SER A 70 4.780 -9.553 -1.010 1.00 0.00 C ATOM 998 C SER A 70 4.880 -8.036 -0.841 1.00 0.00 C ATOM 999 O SER A 70 4.104 -7.289 -1.436 1.00 0.00 O ATOM 1000 CB SER A 70 3.776 -10.133 -0.011 1.00 0.00 C ATOM 1001 OG SER A 70 3.232 -11.371 -0.460 1.00 0.00 O ATOM 0 H SER A 70 6.312 -10.444 0.108 1.00 0.00 H new ATOM 0 HA SER A 70 4.423 -9.777 -2.015 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.266 -10.280 0.952 1.00 0.00 H new ATOM 0 HB3 SER A 70 2.968 -9.418 0.148 1.00 0.00 H new ATOM 0 HG SER A 70 2.313 -11.231 -0.771 1.00 0.00 H new ATOM 1007 N VAL A 71 5.841 -7.625 -0.027 1.00 0.00 N ATOM 1008 CA VAL A 71 6.052 -6.210 0.228 1.00 0.00 C ATOM 1009 C VAL A 71 6.522 -5.529 -1.059 1.00 0.00 C ATOM 1010 O VAL A 71 6.033 -4.458 -1.413 1.00 0.00 O ATOM 1011 CB VAL A 71 7.029 -6.028 1.391 1.00 0.00 C ATOM 1012 CG1 VAL A 71 7.440 -4.561 1.538 1.00 0.00 C ATOM 1013 CG2 VAL A 71 6.435 -6.564 2.695 1.00 0.00 C ATOM 0 H VAL A 71 6.482 -8.247 0.465 1.00 0.00 H new ATOM 0 HA VAL A 71 5.119 -5.733 0.527 1.00 0.00 H new ATOM 0 HB VAL A 71 7.926 -6.606 1.169 1.00 0.00 H new ATOM 0 HG11 VAL A 71 8.135 -4.460 2.372 1.00 0.00 H new ATOM 0 HG12 VAL A 71 7.923 -4.225 0.620 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.556 -3.952 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 71 7.150 -6.422 3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.515 -6.026 2.924 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.216 -7.626 2.586 1.00 0.00 H new ATOM 1023 N GLN A 72 7.465 -6.180 -1.725 1.00 0.00 N ATOM 1024 CA GLN A 72 8.006 -5.651 -2.965 1.00 0.00 C ATOM 1025 C GLN A 72 6.939 -5.672 -4.062 1.00 0.00 C ATOM 1026 O GLN A 72 6.694 -4.658 -4.714 1.00 0.00 O ATOM 1027 CB GLN A 72 9.251 -6.429 -3.397 1.00 0.00 C ATOM 1028 CG GLN A 72 10.509 -5.857 -2.741 1.00 0.00 C ATOM 1029 CD GLN A 72 11.723 -6.009 -3.660 1.00 0.00 C ATOM 1030 OE1 GLN A 72 11.784 -6.880 -4.512 1.00 0.00 O ATOM 1031 NE2 GLN A 72 12.684 -5.116 -3.440 1.00 0.00 N ATOM 0 H GLN A 72 7.868 -7.069 -1.429 1.00 0.00 H new ATOM 0 HA GLN A 72 8.305 -4.617 -2.795 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.140 -7.479 -3.126 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.351 -6.389 -4.482 1.00 0.00 H new ATOM 0 HG2 GLN A 72 10.355 -4.804 -2.507 1.00 0.00 H new ATOM 0 HG3 GLN A 72 10.696 -6.369 -1.797 1.00 0.00 H new ATOM 0 HE21 GLN A 72 12.569 -4.413 -2.710 1.00 0.00 H new ATOM 0 HE22 GLN A 72 13.536 -5.135 -4.001 1.00 0.00 H new ATOM 1040 N SER A 73 6.332 -6.838 -4.230 1.00 0.00 N ATOM 1041 CA SER A 73 5.297 -7.004 -5.236 1.00 0.00 C ATOM 1042 C SER A 73 4.253 -5.894 -5.101 1.00 0.00 C ATOM 1043 O SER A 73 3.925 -5.223 -6.079 1.00 0.00 O ATOM 1044 CB SER A 73 4.631 -8.376 -5.120 1.00 0.00 C ATOM 1045 OG SER A 73 5.054 -9.264 -6.150 1.00 0.00 O ATOM 0 H SER A 73 6.537 -7.676 -3.686 1.00 0.00 H new ATOM 0 HA SER A 73 5.763 -6.938 -6.219 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.864 -8.811 -4.148 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.548 -8.258 -5.165 1.00 0.00 H new ATOM 0 HG SER A 73 4.608 -10.129 -6.040 1.00 0.00 H new ATOM 1051 N ALA A 74 3.760 -5.734 -3.882 1.00 0.00 N ATOM 1052 CA ALA A 74 2.760 -4.716 -3.606 1.00 0.00 C ATOM 1053 C ALA A 74 3.322 -3.342 -3.976 1.00 0.00 C ATOM 1054 O ALA A 74 2.694 -2.590 -4.720 1.00 0.00 O ATOM 1055 CB ALA A 74 2.339 -4.799 -2.138 1.00 0.00 C ATOM 0 H ALA A 74 4.034 -6.292 -3.074 1.00 0.00 H new ATOM 0 HA ALA A 74 1.868 -4.880 -4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.589 -4.036 -1.931 1.00 0.00 H new ATOM 0 HB2 ALA A 74 1.919 -5.784 -1.935 1.00 0.00 H new ATOM 0 HB3 ALA A 74 3.208 -4.636 -1.501 1.00 0.00 H new ATOM 1061 N LYS A 75 4.498 -3.055 -3.439 1.00 0.00 N ATOM 1062 CA LYS A 75 5.152 -1.784 -3.702 1.00 0.00 C ATOM 1063 C LYS A 75 5.127 -1.506 -5.207 1.00 0.00 C ATOM 1064 O LYS A 75 4.705 -0.433 -5.636 1.00 0.00 O ATOM 1065 CB LYS A 75 6.557 -1.768 -3.097 1.00 0.00 C ATOM 1066 CG LYS A 75 6.517 -1.340 -1.629 1.00 0.00 C ATOM 1067 CD LYS A 75 7.725 -1.885 -0.865 1.00 0.00 C ATOM 1068 CE LYS A 75 9.016 -1.202 -1.322 1.00 0.00 C ATOM 1069 NZ LYS A 75 9.626 -1.945 -2.447 1.00 0.00 N ATOM 0 H LYS A 75 5.016 -3.681 -2.822 1.00 0.00 H new ATOM 0 HA LYS A 75 4.613 -0.970 -3.217 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.003 -2.759 -3.178 1.00 0.00 H new ATOM 0 HB3 LYS A 75 7.192 -1.085 -3.661 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.502 -0.252 -1.564 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.598 -1.700 -1.167 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.585 -1.727 0.204 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.803 -2.961 -1.021 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.804 -0.178 -1.628 1.00 0.00 H new ATOM 0 HE3 LYS A 75 9.719 -1.147 -0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.657 -1.813 -2.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 9.405 -2.957 -2.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.244 -1.588 -3.346 1.00 0.00 H new ATOM 1083 N ARG A 76 5.585 -2.490 -5.966 1.00 0.00 N ATOM 1084 CA ARG A 76 5.620 -2.364 -7.413 1.00 0.00 C ATOM 1085 C ARG A 76 4.261 -1.900 -7.939 1.00 0.00 C ATOM 1086 O ARG A 76 4.189 -1.015 -8.790 1.00 0.00 O ATOM 1087 CB ARG A 76 5.988 -3.695 -8.073 1.00 0.00 C ATOM 1088 CG ARG A 76 7.428 -4.092 -7.741 1.00 0.00 C ATOM 1089 CD ARG A 76 8.427 -3.173 -8.446 1.00 0.00 C ATOM 1090 NE ARG A 76 9.795 -3.724 -8.324 1.00 0.00 N ATOM 1091 CZ ARG A 76 10.231 -4.805 -8.985 1.00 0.00 C ATOM 1092 NH1 ARG A 76 9.409 -5.458 -9.818 1.00 0.00 N ATOM 1093 NH2 ARG A 76 11.489 -5.234 -8.813 1.00 0.00 N ATOM 0 H ARG A 76 5.935 -3.378 -5.606 1.00 0.00 H new ATOM 0 HA ARG A 76 6.381 -1.625 -7.663 1.00 0.00 H new ATOM 0 HB2 ARG A 76 5.305 -4.474 -7.734 1.00 0.00 H new ATOM 0 HB3 ARG A 76 5.869 -3.614 -9.153 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.583 -4.044 -6.663 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.603 -5.125 -8.043 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.160 -3.071 -9.498 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.387 -2.175 -8.008 1.00 0.00 H new ATOM 0 HE ARG A 76 10.447 -3.251 -7.698 1.00 0.00 H new ATOM 0 HH11 ARG A 76 8.451 -5.132 -9.949 1.00 0.00 H new ATOM 0 HH12 ARG A 76 9.741 -6.281 -10.321 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.115 -4.738 -8.179 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.821 -6.057 -9.316 1.00 0.00 H new ATOM 1107 N LEU A 77 3.215 -2.520 -7.412 1.00 0.00 N ATOM 1108 CA LEU A 77 1.861 -2.182 -7.817 1.00 0.00 C ATOM 1109 C LEU A 77 1.582 -0.717 -7.475 1.00 0.00 C ATOM 1110 O LEU A 77 1.214 0.069 -8.346 1.00 0.00 O ATOM 1111 CB LEU A 77 0.858 -3.160 -7.203 1.00 0.00 C ATOM 1112 CG LEU A 77 0.755 -4.528 -7.879 1.00 0.00 C ATOM 1113 CD1 LEU A 77 0.330 -5.604 -6.878 1.00 0.00 C ATOM 1114 CD2 LEU A 77 -0.177 -4.472 -9.091 1.00 0.00 C ATOM 0 H LEU A 77 3.278 -3.255 -6.708 1.00 0.00 H new ATOM 0 HA LEU A 77 1.749 -2.284 -8.896 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.124 -3.313 -6.157 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.128 -2.695 -7.217 1.00 0.00 H new ATOM 0 HG LEU A 77 1.744 -4.803 -8.246 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.264 -6.567 -7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.065 -5.665 -6.076 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.643 -5.347 -6.459 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.232 -5.458 -9.553 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -1.173 -4.165 -8.771 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.209 -3.753 -9.814 1.00 0.00 H new ATOM 1126 N LEU A 78 1.767 -0.395 -6.203 1.00 0.00 N ATOM 1127 CA LEU A 78 1.539 0.962 -5.734 1.00 0.00 C ATOM 1128 C LEU A 78 2.258 1.944 -6.660 1.00 0.00 C ATOM 1129 O LEU A 78 1.620 2.768 -7.313 1.00 0.00 O ATOM 1130 CB LEU A 78 1.941 1.095 -4.264 1.00 0.00 C ATOM 1131 CG LEU A 78 1.137 0.254 -3.270 1.00 0.00 C ATOM 1132 CD1 LEU A 78 1.687 0.410 -1.850 1.00 0.00 C ATOM 1133 CD2 LEU A 78 -0.353 0.590 -3.347 1.00 0.00 C ATOM 0 H LEU A 78 2.072 -1.050 -5.483 1.00 0.00 H new ATOM 0 HA LEU A 78 0.477 1.206 -5.773 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.993 0.826 -4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 78 1.853 2.143 -3.977 1.00 0.00 H new ATOM 0 HG LEU A 78 1.245 -0.795 -3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.098 -0.198 -1.163 1.00 0.00 H new ATOM 0 HD12 LEU A 78 2.726 0.083 -1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.629 1.456 -1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.901 -0.022 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.501 1.644 -3.112 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.720 0.387 -4.353 1.00 0.00 H new ATOM 1145 N ASP A 79 3.578 1.825 -6.687 1.00 0.00 N ATOM 1146 CA ASP A 79 4.391 2.692 -7.522 1.00 0.00 C ATOM 1147 C ASP A 79 3.762 2.789 -8.914 1.00 0.00 C ATOM 1148 O ASP A 79 3.508 3.886 -9.409 1.00 0.00 O ATOM 1149 CB ASP A 79 5.807 2.135 -7.680 1.00 0.00 C ATOM 1150 CG ASP A 79 6.898 3.189 -7.876 1.00 0.00 C ATOM 1151 OD1 ASP A 79 6.585 4.379 -7.654 1.00 0.00 O ATOM 1152 OD2 ASP A 79 8.021 2.782 -8.244 1.00 0.00 O ATOM 0 H ASP A 79 4.104 1.141 -6.144 1.00 0.00 H new ATOM 0 HA ASP A 79 4.440 3.671 -7.045 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.049 1.543 -6.797 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.821 1.456 -8.533 1.00 0.00 H new ATOM 1157 N GLN A 80 3.530 1.626 -9.505 1.00 0.00 N ATOM 1158 CA GLN A 80 2.936 1.566 -10.830 1.00 0.00 C ATOM 1159 C GLN A 80 1.842 2.626 -10.970 1.00 0.00 C ATOM 1160 O GLN A 80 1.920 3.492 -11.840 1.00 0.00 O ATOM 1161 CB GLN A 80 2.385 0.168 -11.120 1.00 0.00 C ATOM 1162 CG GLN A 80 2.842 -0.326 -12.495 1.00 0.00 C ATOM 1163 CD GLN A 80 1.775 -0.052 -13.557 1.00 0.00 C ATOM 1164 OE1 GLN A 80 1.793 0.954 -14.247 1.00 0.00 O ATOM 1165 NE2 GLN A 80 0.848 -1.002 -13.650 1.00 0.00 N ATOM 0 H GLN A 80 3.742 0.718 -9.091 1.00 0.00 H new ATOM 0 HA GLN A 80 3.713 1.775 -11.565 1.00 0.00 H new ATOM 0 HB2 GLN A 80 2.721 -0.526 -10.350 1.00 0.00 H new ATOM 0 HB3 GLN A 80 1.296 0.187 -11.080 1.00 0.00 H new ATOM 0 HG2 GLN A 80 3.773 0.169 -12.773 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.051 -1.395 -12.451 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.892 -1.819 -13.041 1.00 0.00 H new ATOM 0 HE22 GLN A 80 0.093 -0.913 -14.330 1.00 0.00 H new ATOM 1174 N ILE A 81 0.848 2.524 -10.100 1.00 0.00 N ATOM 1175 CA ILE A 81 -0.260 3.463 -10.116 1.00 0.00 C ATOM 1176 C ILE A 81 0.283 4.883 -10.284 1.00 0.00 C ATOM 1177 O ILE A 81 -0.019 5.555 -11.269 1.00 0.00 O ATOM 1178 CB ILE A 81 -1.134 3.282 -8.873 1.00 0.00 C ATOM 1179 CG1 ILE A 81 -1.762 1.887 -8.842 1.00 0.00 C ATOM 1180 CG2 ILE A 81 -2.188 4.387 -8.778 1.00 0.00 C ATOM 1181 CD1 ILE A 81 -2.440 1.620 -7.497 1.00 0.00 C ATOM 0 H ILE A 81 0.787 1.805 -9.379 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.912 3.268 -10.967 1.00 0.00 H new ATOM 0 HB ILE A 81 -0.497 3.368 -7.993 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.492 1.795 -9.646 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.994 1.135 -9.022 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -2.795 4.235 -7.886 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.694 5.357 -8.719 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.826 4.358 -9.661 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.878 0.622 -7.502 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.702 1.688 -6.698 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.224 2.359 -7.332 1.00 0.00 H new ATOM 1193 N VAL A 82 1.075 5.299 -9.306 1.00 0.00 N ATOM 1194 CA VAL A 82 1.663 6.628 -9.334 1.00 0.00 C ATOM 1195 C VAL A 82 2.231 6.901 -10.728 1.00 0.00 C ATOM 1196 O VAL A 82 1.897 7.908 -11.351 1.00 0.00 O ATOM 1197 CB VAL A 82 2.710 6.759 -8.226 1.00 0.00 C ATOM 1198 CG1 VAL A 82 3.475 8.079 -8.348 1.00 0.00 C ATOM 1199 CG2 VAL A 82 2.067 6.623 -6.844 1.00 0.00 C ATOM 0 H VAL A 82 1.323 4.740 -8.490 1.00 0.00 H new ATOM 0 HA VAL A 82 0.904 7.386 -9.138 1.00 0.00 H new ATOM 0 HB VAL A 82 3.425 5.945 -8.343 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.213 8.147 -7.549 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.981 8.119 -9.313 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.777 8.913 -8.269 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.833 6.720 -6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.319 7.405 -6.712 1.00 0.00 H new ATOM 0 HG23 VAL A 82 1.590 5.647 -6.759 1.00 0.00 H new