USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 606 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 49 LYS NZ :NH3+ 157:sc= 1.17 (180deg=-0.103) USER MOD Set 1.2: A 72 TYR OH : rot 180:sc= 0.991 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= -0.0663 USER MOD Single : A 31 GLN : amide:sc= 1.09 K(o=1.1,f=-0.4) USER MOD Single : A 32 ASN : amide:sc= 0.509 K(o=0.51,f=0) USER MOD Single : A 36 SER OG : rot 83:sc= 0.793 USER MOD Single : A 38 SER OG : rot 178:sc= 0.707 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot -122:sc= 0.0418 USER MOD Single : A 46 TYR OH : rot 39:sc= -2.04! USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl -156:sc= -0.289 (180deg=-1.11) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.527 F(o=-2.2!,f=-0.53) USER MOD Single : A 60 SER OG : rot 114:sc= -2.2! USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 175:sc= 0.936 (180deg=0.909) USER MOD Single : A 73 ASN : amide:sc= -0.16 K(o=-0.16,f=-0.77) USER MOD Single : A 80 ASN :FLIP amide:sc= 0 F(o=-1.6!,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 160:sc= 1.06 (180deg=0.745) USER MOD Single : A 108 THR OG1 : rot 180:sc= -0.225 USER MOD ----------------------------------------------------------------- ATOM 281 N LEU A 19 -13.176 -0.672 -4.244 1.00 51.03 N ATOM 282 CA LEU A 19 -12.333 -1.222 -3.180 1.00 65.43 C ATOM 283 C LEU A 19 -12.592 -0.464 -1.876 1.00 13.45 C ATOM 284 O LEU A 19 -12.551 0.761 -1.847 1.00 53.14 O ATOM 285 CB LEU A 19 -10.850 -1.140 -3.569 1.00 21.33 C ATOM 286 CG LEU A 19 -10.462 -1.934 -4.825 1.00 44.54 C ATOM 287 CD1 LEU A 19 -8.974 -1.777 -5.124 1.00 50.41 C ATOM 288 CD2 LEU A 19 -10.826 -3.410 -4.665 1.00 50.55 C ATOM 0 HA LEU A 19 -12.584 -2.273 -3.035 1.00 65.43 H new ATOM 0 HB2 LEU A 19 -10.588 -0.093 -3.724 1.00 21.33 H new ATOM 0 HB3 LEU A 19 -10.250 -1.498 -2.732 1.00 21.33 H new ATOM 0 HG LEU A 19 -11.024 -1.533 -5.668 1.00 44.54 H new ATOM 0 HD11 LEU A 19 -8.720 -2.347 -6.018 1.00 50.41 H new ATOM 0 HD12 LEU A 19 -8.745 -0.724 -5.288 1.00 50.41 H new ATOM 0 HD13 LEU A 19 -8.392 -2.147 -4.280 1.00 50.41 H new ATOM 0 HD21 LEU A 19 -10.543 -3.954 -5.566 1.00 50.55 H new ATOM 0 HD22 LEU A 19 -10.295 -3.825 -3.808 1.00 50.55 H new ATOM 0 HD23 LEU A 19 -11.900 -3.505 -4.507 1.00 50.55 H new ATOM 300 N LYS A 20 -12.871 -1.188 -0.799 1.00 75.23 N ATOM 301 CA LYS A 20 -13.246 -0.548 0.464 1.00 72.44 C ATOM 302 C LYS A 20 -12.057 -0.527 1.440 1.00 32.11 C ATOM 303 O LYS A 20 -11.559 -1.575 1.863 1.00 2.13 O ATOM 304 CB LYS A 20 -14.470 -1.261 1.063 1.00 13.51 C ATOM 305 CG LYS A 20 -15.515 -1.628 0.003 1.00 43.04 C ATOM 306 CD LYS A 20 -16.908 -1.867 0.587 1.00 1.53 C ATOM 307 CE LYS A 20 -17.597 -0.560 0.964 1.00 14.24 C ATOM 308 NZ LYS A 20 -19.018 -0.772 1.336 1.00 4.53 N ATOM 0 H LYS A 20 -12.846 -2.207 -0.770 1.00 75.23 H new ATOM 0 HA LYS A 20 -13.519 0.490 0.275 1.00 72.44 H new ATOM 0 HB2 LYS A 20 -14.144 -2.166 1.575 1.00 13.51 H new ATOM 0 HB3 LYS A 20 -14.929 -0.618 1.814 1.00 13.51 H new ATOM 0 HG2 LYS A 20 -15.570 -0.828 -0.736 1.00 43.04 H new ATOM 0 HG3 LYS A 20 -15.190 -2.526 -0.523 1.00 43.04 H new ATOM 0 HD2 LYS A 20 -17.519 -2.404 -0.139 1.00 1.53 H new ATOM 0 HD3 LYS A 20 -16.828 -2.503 1.469 1.00 1.53 H new ATOM 0 HE2 LYS A 20 -17.068 -0.098 1.798 1.00 14.24 H new ATOM 0 HE3 LYS A 20 -17.541 0.135 0.126 1.00 14.24 H new ATOM 0 HZ1 LYS A 20 -19.451 0.140 1.586 1.00 4.53 H new ATOM 0 HZ2 LYS A 20 -19.529 -1.189 0.532 1.00 4.53 H new ATOM 0 HZ3 LYS A 20 -19.071 -1.415 2.151 1.00 4.53 H new ATOM 322 N PHE A 21 -11.603 0.685 1.763 1.00 1.14 N ATOM 323 CA PHE A 21 -10.400 0.902 2.581 1.00 34.43 C ATOM 324 C PHE A 21 -10.519 0.276 3.984 1.00 52.12 C ATOM 325 O PHE A 21 -11.594 0.271 4.583 1.00 24.31 O ATOM 326 CB PHE A 21 -10.141 2.412 2.699 1.00 4.34 C ATOM 327 CG PHE A 21 -8.823 2.772 3.342 1.00 74.04 C ATOM 328 CD1 PHE A 21 -8.724 2.950 4.716 1.00 11.42 C ATOM 329 CD2 PHE A 21 -7.684 2.938 2.569 1.00 62.53 C ATOM 330 CE1 PHE A 21 -7.517 3.283 5.302 1.00 14.13 C ATOM 331 CE2 PHE A 21 -6.478 3.271 3.150 1.00 34.35 C ATOM 332 CZ PHE A 21 -6.394 3.442 4.518 1.00 50.15 C ATOM 0 H PHE A 21 -12.058 1.548 1.466 1.00 1.14 H new ATOM 0 HA PHE A 21 -9.564 0.409 2.085 1.00 34.43 H new ATOM 0 HB2 PHE A 21 -10.178 2.853 1.703 1.00 4.34 H new ATOM 0 HB3 PHE A 21 -10.948 2.862 3.277 1.00 4.34 H new ATOM 0 HD1 PHE A 21 -9.601 2.827 5.334 1.00 11.42 H new ATOM 0 HD2 PHE A 21 -7.742 2.805 1.499 1.00 62.53 H new ATOM 0 HE1 PHE A 21 -7.454 3.418 6.372 1.00 14.13 H new ATOM 0 HE2 PHE A 21 -5.599 3.398 2.535 1.00 34.35 H new ATOM 0 HZ PHE A 21 -5.449 3.700 4.973 1.00 50.15 H new ATOM 342 N SER A 22 -9.409 -0.255 4.506 1.00 51.24 N ATOM 343 CA SER A 22 -9.397 -0.821 5.865 1.00 22.34 C ATOM 344 C SER A 22 -8.367 -0.123 6.766 1.00 21.54 C ATOM 345 O SER A 22 -8.733 0.557 7.728 1.00 21.31 O ATOM 346 CB SER A 22 -9.087 -2.325 5.812 1.00 52.22 C ATOM 347 OG SER A 22 -9.140 -2.914 7.103 1.00 62.30 O ATOM 0 H SER A 22 -8.515 -0.306 4.017 1.00 51.24 H new ATOM 0 HA SER A 22 -10.388 -0.660 6.290 1.00 22.34 H new ATOM 0 HB2 SER A 22 -9.801 -2.822 5.155 1.00 52.22 H new ATOM 0 HB3 SER A 22 -8.097 -2.478 5.381 1.00 52.22 H new ATOM 0 HG SER A 22 -8.940 -3.871 7.034 1.00 62.30 H new ATOM 353 N ALA A 23 -7.080 -0.286 6.451 1.00 22.05 N ATOM 354 CA ALA A 23 -6.005 0.329 7.244 1.00 12.35 C ATOM 355 C ALA A 23 -4.673 0.387 6.472 1.00 12.23 C ATOM 356 O ALA A 23 -4.576 -0.082 5.336 1.00 45.12 O ATOM 357 CB ALA A 23 -5.826 -0.429 8.556 1.00 53.40 C ATOM 0 H ALA A 23 -6.754 -0.836 5.656 1.00 22.05 H new ATOM 0 HA ALA A 23 -6.299 1.357 7.455 1.00 12.35 H new ATOM 0 HB1 ALA A 23 -5.028 0.033 9.137 1.00 53.40 H new ATOM 0 HB2 ALA A 23 -6.755 -0.396 9.125 1.00 53.40 H new ATOM 0 HB3 ALA A 23 -5.567 -1.466 8.344 1.00 53.40 H new ATOM 363 N LEU A 24 -3.650 0.968 7.101 1.00 34.51 N ATOM 364 CA LEU A 24 -2.279 0.916 6.572 1.00 54.03 C ATOM 365 C LEU A 24 -1.518 -0.257 7.212 1.00 40.53 C ATOM 366 O LEU A 24 -1.152 -0.203 8.387 1.00 60.41 O ATOM 367 CB LEU A 24 -1.535 2.233 6.849 1.00 33.24 C ATOM 368 CG LEU A 24 -0.063 2.264 6.396 1.00 31.14 C ATOM 369 CD1 LEU A 24 0.043 2.195 4.875 1.00 60.44 C ATOM 370 CD2 LEU A 24 0.646 3.503 6.937 1.00 42.32 C ATOM 0 H LEU A 24 -3.741 1.481 7.978 1.00 34.51 H new ATOM 0 HA LEU A 24 -2.331 0.770 5.493 1.00 54.03 H new ATOM 0 HB2 LEU A 24 -2.068 3.044 6.353 1.00 33.24 H new ATOM 0 HB3 LEU A 24 -1.573 2.435 7.919 1.00 33.24 H new ATOM 0 HG LEU A 24 0.434 1.385 6.806 1.00 31.14 H new ATOM 0 HD11 LEU A 24 1.093 2.219 4.582 1.00 60.44 H new ATOM 0 HD12 LEU A 24 -0.412 1.270 4.520 1.00 60.44 H new ATOM 0 HD13 LEU A 24 -0.476 3.047 4.435 1.00 60.44 H new ATOM 0 HD21 LEU A 24 1.684 3.503 6.604 1.00 42.32 H new ATOM 0 HD22 LEU A 24 0.146 4.399 6.567 1.00 42.32 H new ATOM 0 HD23 LEU A 24 0.615 3.494 8.027 1.00 42.32 H new ATOM 382 N ARG A 25 -1.283 -1.307 6.433 1.00 1.24 N ATOM 383 CA ARG A 25 -0.683 -2.542 6.952 1.00 22.22 C ATOM 384 C ARG A 25 0.759 -2.330 7.436 1.00 53.13 C ATOM 385 O ARG A 25 1.066 -2.548 8.608 1.00 51.33 O ATOM 386 CB ARG A 25 -0.725 -3.635 5.875 1.00 52.34 C ATOM 387 CG ARG A 25 -0.194 -4.993 6.338 1.00 71.43 C ATOM 388 CD ARG A 25 -0.878 -5.463 7.618 1.00 14.14 C ATOM 389 NE ARG A 25 -0.621 -6.875 7.895 1.00 34.12 N ATOM 390 CZ ARG A 25 -0.343 -7.364 9.075 1.00 62.35 C ATOM 391 NH1 ARG A 25 -0.135 -6.585 10.087 1.00 1.42 N ATOM 392 NH2 ARG A 25 -0.244 -8.642 9.234 1.00 0.20 N ATOM 0 H ARG A 25 -1.498 -1.333 5.436 1.00 1.24 H new ATOM 0 HA ARG A 25 -1.270 -2.854 7.816 1.00 22.22 H new ATOM 0 HB2 ARG A 25 -1.754 -3.756 5.536 1.00 52.34 H new ATOM 0 HB3 ARG A 25 -0.143 -3.304 5.015 1.00 52.34 H new ATOM 0 HG2 ARG A 25 -0.349 -5.731 5.551 1.00 71.43 H new ATOM 0 HG3 ARG A 25 0.881 -4.925 6.504 1.00 71.43 H new ATOM 0 HD2 ARG A 25 -0.529 -4.861 8.457 1.00 14.14 H new ATOM 0 HD3 ARG A 25 -1.953 -5.301 7.534 1.00 14.14 H new ATOM 0 HE ARG A 25 -0.662 -7.526 7.111 1.00 34.12 H new ATOM 0 HH11 ARG A 25 -0.187 -5.573 9.971 1.00 1.42 H new ATOM 0 HH12 ARG A 25 0.081 -6.983 11.001 1.00 1.42 H new ATOM 0 HH21 ARG A 25 -0.383 -9.267 8.440 1.00 0.20 H new ATOM 0 HH22 ARG A 25 -0.027 -9.026 10.154 1.00 0.20 H new ATOM 406 N ARG A 26 1.639 -1.905 6.532 1.00 55.41 N ATOM 407 CA ARG A 26 3.063 -1.748 6.849 1.00 24.11 C ATOM 408 C ARG A 26 3.807 -0.931 5.783 1.00 63.33 C ATOM 409 O ARG A 26 3.584 -1.100 4.586 1.00 14.53 O ATOM 410 CB ARG A 26 3.724 -3.134 7.004 1.00 71.13 C ATOM 411 CG ARG A 26 5.247 -3.124 6.851 1.00 61.55 C ATOM 412 CD ARG A 26 5.866 -4.505 7.067 1.00 52.42 C ATOM 413 NE ARG A 26 5.977 -4.861 8.483 1.00 2.22 N ATOM 414 CZ ARG A 26 5.916 -6.084 8.945 1.00 74.24 C ATOM 415 NH1 ARG A 26 5.610 -7.073 8.162 1.00 24.42 N ATOM 416 NH2 ARG A 26 6.137 -6.307 10.200 1.00 61.31 N ATOM 0 H ARG A 26 1.394 -1.662 5.572 1.00 55.41 H new ATOM 0 HA ARG A 26 3.130 -1.199 7.789 1.00 24.11 H new ATOM 0 HB2 ARG A 26 3.471 -3.537 7.985 1.00 71.13 H new ATOM 0 HB3 ARG A 26 3.300 -3.811 6.262 1.00 71.13 H new ATOM 0 HG2 ARG A 26 5.507 -2.765 5.855 1.00 61.55 H new ATOM 0 HG3 ARG A 26 5.676 -2.421 7.565 1.00 61.55 H new ATOM 0 HD2 ARG A 26 5.261 -5.253 6.555 1.00 52.42 H new ATOM 0 HD3 ARG A 26 6.856 -4.530 6.612 1.00 52.42 H new ATOM 0 HE ARG A 26 6.111 -4.105 9.154 1.00 2.22 H new ATOM 0 HH11 ARG A 26 5.414 -6.901 7.176 1.00 24.42 H new ATOM 0 HH12 ARG A 26 5.565 -8.022 8.533 1.00 24.42 H new ATOM 0 HH21 ARG A 26 6.358 -5.531 10.825 1.00 61.31 H new ATOM 0 HH22 ARG A 26 6.091 -7.258 10.565 1.00 61.31 H new ATOM 430 N GLU A 27 4.685 -0.037 6.232 1.00 13.34 N ATOM 431 CA GLU A 27 5.573 0.700 5.329 1.00 22.31 C ATOM 432 C GLU A 27 6.948 0.009 5.259 1.00 21.11 C ATOM 433 O GLU A 27 7.760 0.138 6.177 1.00 41.51 O ATOM 434 CB GLU A 27 5.736 2.152 5.809 1.00 14.25 C ATOM 435 CG GLU A 27 4.413 2.897 5.968 1.00 51.03 C ATOM 436 CD GLU A 27 4.600 4.344 6.401 1.00 32.14 C ATOM 437 OE1 GLU A 27 4.730 4.596 7.619 1.00 71.11 O ATOM 438 OE2 GLU A 27 4.625 5.235 5.523 1.00 1.24 O ATOM 0 H GLU A 27 4.802 0.197 7.218 1.00 13.34 H new ATOM 0 HA GLU A 27 5.130 0.708 4.333 1.00 22.31 H new ATOM 0 HB2 GLU A 27 6.261 2.153 6.764 1.00 14.25 H new ATOM 0 HB3 GLU A 27 6.364 2.692 5.100 1.00 14.25 H new ATOM 0 HG2 GLU A 27 3.871 2.872 5.022 1.00 51.03 H new ATOM 0 HG3 GLU A 27 3.796 2.380 6.702 1.00 51.03 H new ATOM 445 N VAL A 28 7.197 -0.740 4.183 1.00 72.32 N ATOM 446 CA VAL A 28 8.454 -1.489 4.043 1.00 71.33 C ATOM 447 C VAL A 28 9.646 -0.541 3.821 1.00 44.53 C ATOM 448 O VAL A 28 9.635 0.296 2.914 1.00 64.45 O ATOM 449 CB VAL A 28 8.383 -2.541 2.900 1.00 62.12 C ATOM 450 CG1 VAL A 28 7.303 -3.581 3.194 1.00 71.32 C ATOM 451 CG2 VAL A 28 8.142 -1.880 1.541 1.00 22.51 C ATOM 0 H VAL A 28 6.552 -0.846 3.400 1.00 72.32 H new ATOM 0 HA VAL A 28 8.605 -2.025 4.980 1.00 71.33 H new ATOM 0 HB VAL A 28 9.348 -3.045 2.854 1.00 62.12 H new ATOM 0 HG11 VAL A 28 7.268 -4.309 2.383 1.00 71.32 H new ATOM 0 HG12 VAL A 28 7.534 -4.091 4.129 1.00 71.32 H new ATOM 0 HG13 VAL A 28 6.335 -3.087 3.279 1.00 71.32 H new ATOM 0 HG21 VAL A 28 8.098 -2.646 0.767 1.00 22.51 H new ATOM 0 HG22 VAL A 28 7.199 -1.333 1.564 1.00 22.51 H new ATOM 0 HG23 VAL A 28 8.957 -1.189 1.323 1.00 22.51 H new ATOM 461 N ARG A 29 10.671 -0.675 4.657 1.00 4.33 N ATOM 462 CA ARG A 29 11.817 0.238 4.630 1.00 42.12 C ATOM 463 C ARG A 29 13.059 -0.401 3.989 1.00 32.30 C ATOM 464 O ARG A 29 13.255 -1.620 4.039 1.00 63.03 O ATOM 465 CB ARG A 29 12.125 0.720 6.052 1.00 52.32 C ATOM 466 CG ARG A 29 10.992 1.546 6.653 1.00 50.10 C ATOM 467 CD ARG A 29 11.246 1.906 8.110 1.00 51.44 C ATOM 468 NE ARG A 29 10.158 2.715 8.661 1.00 62.52 N ATOM 469 CZ ARG A 29 9.358 2.327 9.617 1.00 65.24 C ATOM 470 NH1 ARG A 29 9.491 1.159 10.158 1.00 53.14 N ATOM 471 NH2 ARG A 29 8.418 3.110 10.034 1.00 71.13 N ATOM 0 H ARG A 29 10.735 -1.407 5.364 1.00 4.33 H new ATOM 0 HA ARG A 29 11.549 1.091 4.007 1.00 42.12 H new ATOM 0 HB2 ARG A 29 12.318 -0.143 6.690 1.00 52.32 H new ATOM 0 HB3 ARG A 29 13.037 1.317 6.039 1.00 52.32 H new ATOM 0 HG2 ARG A 29 10.865 2.460 6.073 1.00 50.10 H new ATOM 0 HG3 ARG A 29 10.059 0.988 6.577 1.00 50.10 H new ATOM 0 HD2 ARG A 29 11.356 0.994 8.697 1.00 51.44 H new ATOM 0 HD3 ARG A 29 12.185 2.453 8.192 1.00 51.44 H new ATOM 0 HE ARG A 29 10.015 3.647 8.271 1.00 62.52 H new ATOM 0 HH11 ARG A 29 10.227 0.530 9.838 1.00 53.14 H new ATOM 0 HH12 ARG A 29 8.860 0.868 10.904 1.00 53.14 H new ATOM 0 HH21 ARG A 29 8.300 4.033 9.616 1.00 71.13 H new ATOM 0 HH22 ARG A 29 7.794 2.805 10.781 1.00 71.13 H new ATOM 485 N ILE A 30 13.895 0.452 3.409 1.00 3.34 N ATOM 486 CA ILE A 30 15.064 0.027 2.635 1.00 43.44 C ATOM 487 C ILE A 30 16.132 -0.655 3.510 1.00 12.03 C ATOM 488 O ILE A 30 16.638 -0.069 4.468 1.00 33.14 O ATOM 489 CB ILE A 30 15.689 1.248 1.914 1.00 24.35 C ATOM 490 CG1 ILE A 30 14.625 1.953 1.050 1.00 62.00 C ATOM 491 CG2 ILE A 30 16.884 0.824 1.061 1.00 21.53 C ATOM 492 CD1 ILE A 30 15.086 3.270 0.458 1.00 3.22 C ATOM 0 H ILE A 30 13.784 1.465 3.460 1.00 3.34 H new ATOM 0 HA ILE A 30 14.719 -0.706 1.906 1.00 43.44 H new ATOM 0 HB ILE A 30 16.048 1.949 2.667 1.00 24.35 H new ATOM 0 HG12 ILE A 30 14.329 1.286 0.240 1.00 62.00 H new ATOM 0 HG13 ILE A 30 13.737 2.130 1.657 1.00 62.00 H new ATOM 0 HG21 ILE A 30 17.305 1.698 0.565 1.00 21.53 H new ATOM 0 HG22 ILE A 30 17.642 0.367 1.698 1.00 21.53 H new ATOM 0 HG23 ILE A 30 16.558 0.103 0.311 1.00 21.53 H new ATOM 0 HD11 ILE A 30 14.281 3.703 -0.136 1.00 3.22 H new ATOM 0 HD12 ILE A 30 15.354 3.956 1.261 1.00 3.22 H new ATOM 0 HD13 ILE A 30 15.955 3.099 -0.178 1.00 3.22 H new ATOM 504 N GLN A 31 16.472 -1.898 3.170 1.00 72.30 N ATOM 505 CA GLN A 31 17.478 -2.665 3.917 1.00 52.31 C ATOM 506 C GLN A 31 18.844 -2.623 3.208 1.00 63.30 C ATOM 507 O GLN A 31 18.935 -2.843 1.998 1.00 72.34 O ATOM 508 CB GLN A 31 17.008 -4.116 4.090 1.00 42.15 C ATOM 509 CG GLN A 31 17.903 -4.955 4.995 1.00 51.03 C ATOM 510 CD GLN A 31 17.365 -6.359 5.220 1.00 14.23 C ATOM 511 OE1 GLN A 31 16.693 -6.926 4.365 1.00 52.02 O ATOM 512 NE2 GLN A 31 17.646 -6.927 6.371 1.00 34.52 N ATOM 0 H GLN A 31 16.066 -2.400 2.380 1.00 72.30 H new ATOM 0 HA GLN A 31 17.597 -2.210 4.900 1.00 52.31 H new ATOM 0 HB2 GLN A 31 15.997 -4.113 4.498 1.00 42.15 H new ATOM 0 HB3 GLN A 31 16.955 -4.589 3.109 1.00 42.15 H new ATOM 0 HG2 GLN A 31 18.898 -5.019 4.555 1.00 51.03 H new ATOM 0 HG3 GLN A 31 18.011 -4.454 5.957 1.00 51.03 H new ATOM 0 HE21 GLN A 31 18.208 -6.429 7.062 1.00 34.52 H new ATOM 0 HE22 GLN A 31 17.303 -7.866 6.574 1.00 34.52 H new ATOM 521 N ASN A 32 19.904 -2.350 3.971 1.00 34.04 N ATOM 522 CA ASN A 32 21.253 -2.190 3.403 1.00 30.23 C ATOM 523 C ASN A 32 21.992 -3.529 3.257 1.00 12.23 C ATOM 524 O ASN A 32 21.561 -4.557 3.783 1.00 72.14 O ATOM 525 CB ASN A 32 22.085 -1.241 4.266 1.00 42.44 C ATOM 526 CG ASN A 32 21.445 0.127 4.404 1.00 0.21 C ATOM 527 OD1 ASN A 32 21.634 1.001 3.566 1.00 41.11 O ATOM 528 ND2 ASN A 32 20.690 0.321 5.466 1.00 52.52 N ATOM 0 H ASN A 32 19.859 -2.234 4.983 1.00 34.04 H new ATOM 0 HA ASN A 32 21.126 -1.770 2.405 1.00 30.23 H new ATOM 0 HB2 ASN A 32 22.219 -1.678 5.256 1.00 42.44 H new ATOM 0 HB3 ASN A 32 23.077 -1.132 3.828 1.00 42.44 H new ATOM 0 HD21 ASN A 32 20.239 1.224 5.613 1.00 52.52 H new ATOM 0 HD22 ASN A 32 20.557 -0.432 6.141 1.00 52.52 H new ATOM 535 N GLU A 33 23.127 -3.487 2.555 1.00 52.40 N ATOM 536 CA GLU A 33 23.949 -4.681 2.303 1.00 23.23 C ATOM 537 C GLU A 33 24.415 -5.331 3.615 1.00 52.05 C ATOM 538 O GLU A 33 24.514 -6.554 3.716 1.00 3.14 O ATOM 539 CB GLU A 33 25.179 -4.323 1.446 1.00 51.34 C ATOM 540 CG GLU A 33 24.853 -3.707 0.081 1.00 33.33 C ATOM 541 CD GLU A 33 24.324 -2.282 0.174 1.00 62.51 C ATOM 542 OE1 GLU A 33 25.138 -1.345 0.302 1.00 43.15 O ATOM 543 OE2 GLU A 33 23.089 -2.089 0.133 1.00 4.15 O ATOM 0 H GLU A 33 23.503 -2.632 2.146 1.00 52.40 H new ATOM 0 HA GLU A 33 23.325 -5.394 1.764 1.00 23.23 H new ATOM 0 HB2 GLU A 33 25.803 -3.625 2.004 1.00 51.34 H new ATOM 0 HB3 GLU A 33 25.771 -5.225 1.290 1.00 51.34 H new ATOM 0 HG2 GLU A 33 25.751 -3.714 -0.537 1.00 33.33 H new ATOM 0 HG3 GLU A 33 24.114 -4.329 -0.424 1.00 33.33 H new ATOM 550 N ASP A 34 24.702 -4.495 4.615 1.00 64.52 N ATOM 551 CA ASP A 34 25.094 -4.966 5.950 1.00 41.43 C ATOM 552 C ASP A 34 23.994 -5.825 6.606 1.00 44.25 C ATOM 553 O ASP A 34 24.282 -6.712 7.410 1.00 10.43 O ATOM 554 CB ASP A 34 25.420 -3.754 6.834 1.00 55.33 C ATOM 555 CG ASP A 34 25.641 -4.117 8.294 1.00 25.42 C ATOM 556 OD1 ASP A 34 26.752 -4.564 8.645 1.00 24.02 O ATOM 557 OD2 ASP A 34 24.700 -3.951 9.099 1.00 63.25 O ATOM 0 H ASP A 34 24.670 -3.479 4.526 1.00 64.52 H new ATOM 0 HA ASP A 34 25.974 -5.600 5.844 1.00 41.43 H new ATOM 0 HB2 ASP A 34 26.314 -3.263 6.450 1.00 55.33 H new ATOM 0 HB3 ASP A 34 24.605 -3.033 6.765 1.00 55.33 H new ATOM 562 N GLY A 35 22.742 -5.565 6.245 1.00 14.21 N ATOM 563 CA GLY A 35 21.616 -6.233 6.889 1.00 12.51 C ATOM 564 C GLY A 35 20.751 -5.268 7.692 1.00 33.43 C ATOM 565 O GLY A 35 19.547 -5.469 7.838 1.00 13.23 O ATOM 0 H GLY A 35 22.482 -4.901 5.515 1.00 14.21 H new ATOM 0 HA2 GLY A 35 21.004 -6.720 6.130 1.00 12.51 H new ATOM 0 HA3 GLY A 35 21.990 -7.016 7.548 1.00 12.51 H new ATOM 569 N SER A 36 21.372 -4.210 8.211 1.00 61.11 N ATOM 570 CA SER A 36 20.644 -3.168 8.950 1.00 64.02 C ATOM 571 C SER A 36 19.663 -2.412 8.043 1.00 2.44 C ATOM 572 O SER A 36 19.953 -2.146 6.872 1.00 52.51 O ATOM 573 CB SER A 36 21.615 -2.168 9.579 1.00 61.24 C ATOM 574 OG SER A 36 22.467 -2.800 10.522 1.00 50.43 O ATOM 0 H SER A 36 22.376 -4.048 8.136 1.00 61.11 H new ATOM 0 HA SER A 36 20.079 -3.671 9.735 1.00 64.02 H new ATOM 0 HB2 SER A 36 22.216 -1.701 8.799 1.00 61.24 H new ATOM 0 HB3 SER A 36 21.054 -1.372 10.069 1.00 61.24 H new ATOM 0 HG SER A 36 23.223 -3.213 10.055 1.00 50.43 H new ATOM 580 N VAL A 37 18.512 -2.052 8.596 1.00 51.40 N ATOM 581 CA VAL A 37 17.457 -1.383 7.833 1.00 75.01 C ATOM 582 C VAL A 37 17.459 0.138 8.069 1.00 35.13 C ATOM 583 O VAL A 37 17.578 0.606 9.205 1.00 34.33 O ATOM 584 CB VAL A 37 16.070 -1.956 8.203 1.00 51.44 C ATOM 585 CG1 VAL A 37 14.968 -1.350 7.331 1.00 1.32 C ATOM 586 CG2 VAL A 37 16.089 -3.478 8.094 1.00 54.05 C ATOM 0 H VAL A 37 18.281 -2.212 9.577 1.00 51.40 H new ATOM 0 HA VAL A 37 17.659 -1.568 6.778 1.00 75.01 H new ATOM 0 HB VAL A 37 15.848 -1.686 9.235 1.00 51.44 H new ATOM 0 HG11 VAL A 37 14.005 -1.773 7.616 1.00 1.32 H new ATOM 0 HG12 VAL A 37 14.945 -0.269 7.472 1.00 1.32 H new ATOM 0 HG13 VAL A 37 15.168 -1.575 6.283 1.00 1.32 H new ATOM 0 HG21 VAL A 37 15.108 -3.874 8.356 1.00 54.05 H new ATOM 0 HG22 VAL A 37 16.335 -3.767 7.072 1.00 54.05 H new ATOM 0 HG23 VAL A 37 16.837 -3.882 8.776 1.00 54.05 H new ATOM 596 N SER A 38 17.326 0.892 6.984 1.00 42.33 N ATOM 597 CA SER A 38 17.313 2.362 7.032 1.00 43.21 C ATOM 598 C SER A 38 15.922 2.901 7.395 1.00 13.02 C ATOM 599 O SER A 38 14.913 2.221 7.208 1.00 13.12 O ATOM 600 CB SER A 38 17.736 2.935 5.669 1.00 40.25 C ATOM 601 OG SER A 38 17.714 4.358 5.664 1.00 15.22 O ATOM 0 H SER A 38 17.224 0.509 6.044 1.00 42.33 H new ATOM 0 HA SER A 38 18.017 2.674 7.804 1.00 43.21 H new ATOM 0 HB2 SER A 38 18.739 2.586 5.424 1.00 40.25 H new ATOM 0 HB3 SER A 38 17.069 2.558 4.894 1.00 40.25 H new ATOM 0 HG SER A 38 18.026 4.687 4.795 1.00 15.22 H new ATOM 607 N ASP A 39 15.871 4.133 7.904 1.00 32.50 N ATOM 608 CA ASP A 39 14.592 4.795 8.191 1.00 62.44 C ATOM 609 C ASP A 39 13.913 5.258 6.893 1.00 60.23 C ATOM 610 O ASP A 39 12.768 5.719 6.901 1.00 31.44 O ATOM 611 CB ASP A 39 14.806 5.986 9.131 1.00 10.14 C ATOM 612 CG ASP A 39 15.429 5.562 10.448 1.00 35.41 C ATOM 613 OD1 ASP A 39 14.685 5.136 11.357 1.00 12.51 O ATOM 614 OD2 ASP A 39 16.667 5.638 10.574 1.00 53.54 O ATOM 0 H ASP A 39 16.695 4.692 8.126 1.00 32.50 H new ATOM 0 HA ASP A 39 13.939 4.074 8.682 1.00 62.44 H new ATOM 0 HB2 ASP A 39 15.448 6.721 8.646 1.00 10.14 H new ATOM 0 HB3 ASP A 39 13.850 6.474 9.322 1.00 10.14 H new ATOM 619 N GLU A 40 14.642 5.146 5.784 1.00 33.15 N ATOM 620 CA GLU A 40 14.109 5.461 4.456 1.00 1.24 C ATOM 621 C GLU A 40 13.125 4.375 3.988 1.00 31.35 C ATOM 622 O GLU A 40 13.417 3.182 4.065 1.00 1.13 O ATOM 623 CB GLU A 40 15.266 5.592 3.458 1.00 30.51 C ATOM 624 CG GLU A 40 16.265 6.683 3.825 1.00 1.44 C ATOM 625 CD GLU A 40 17.519 6.646 2.966 1.00 53.50 C ATOM 626 OE1 GLU A 40 17.514 7.240 1.868 1.00 53.05 O ATOM 627 OE2 GLU A 40 18.513 6.018 3.385 1.00 32.20 O ATOM 0 H GLU A 40 15.614 4.836 5.778 1.00 33.15 H new ATOM 0 HA GLU A 40 13.568 6.406 4.511 1.00 1.24 H new ATOM 0 HB2 GLU A 40 15.789 4.638 3.393 1.00 30.51 H new ATOM 0 HB3 GLU A 40 14.860 5.800 2.468 1.00 30.51 H new ATOM 0 HG2 GLU A 40 15.787 7.657 3.721 1.00 1.44 H new ATOM 0 HG3 GLU A 40 16.545 6.576 4.873 1.00 1.44 H new ATOM 634 N ILE A 41 11.966 4.791 3.492 1.00 1.00 N ATOM 635 CA ILE A 41 10.903 3.852 3.110 1.00 74.15 C ATOM 636 C ILE A 41 10.915 3.572 1.598 1.00 54.40 C ATOM 637 O ILE A 41 11.292 4.432 0.799 1.00 15.22 O ATOM 638 CB ILE A 41 9.509 4.398 3.519 1.00 30.52 C ATOM 639 CG1 ILE A 41 9.504 4.776 5.009 1.00 51.32 C ATOM 640 CG2 ILE A 41 8.411 3.374 3.222 1.00 23.21 C ATOM 641 CD1 ILE A 41 8.199 5.380 5.485 1.00 32.31 C ATOM 0 H ILE A 41 11.732 5.773 3.342 1.00 1.00 H new ATOM 0 HA ILE A 41 11.095 2.919 3.640 1.00 74.15 H new ATOM 0 HB ILE A 41 9.304 5.291 2.929 1.00 30.52 H new ATOM 0 HG12 ILE A 41 9.718 3.886 5.600 1.00 51.32 H new ATOM 0 HG13 ILE A 41 10.311 5.485 5.197 1.00 51.32 H new ATOM 0 HG21 ILE A 41 7.444 3.781 3.518 1.00 23.21 H new ATOM 0 HG22 ILE A 41 8.400 3.152 2.155 1.00 23.21 H new ATOM 0 HG23 ILE A 41 8.606 2.459 3.781 1.00 23.21 H new ATOM 0 HD11 ILE A 41 8.275 5.620 6.546 1.00 32.31 H new ATOM 0 HD12 ILE A 41 7.992 6.290 4.921 1.00 32.31 H new ATOM 0 HD13 ILE A 41 7.390 4.666 5.331 1.00 32.31 H new ATOM 653 N LYS A 42 10.514 2.363 1.211 1.00 32.14 N ATOM 654 CA LYS A 42 10.442 1.980 -0.203 1.00 22.52 C ATOM 655 C LYS A 42 8.988 2.005 -0.710 1.00 24.24 C ATOM 656 O LYS A 42 8.670 2.699 -1.676 1.00 22.14 O ATOM 657 CB LYS A 42 11.050 0.584 -0.399 1.00 71.44 C ATOM 658 CG LYS A 42 11.338 0.237 -1.856 1.00 60.40 C ATOM 659 CD LYS A 42 12.353 1.204 -2.468 1.00 3.24 C ATOM 660 CE LYS A 42 12.728 0.808 -3.893 1.00 4.34 C ATOM 661 NZ LYS A 42 13.702 1.758 -4.492 1.00 13.04 N ATOM 0 H LYS A 42 10.232 1.627 1.858 1.00 32.14 H new ATOM 0 HA LYS A 42 11.014 2.704 -0.784 1.00 22.52 H new ATOM 0 HB2 LYS A 42 11.977 0.519 0.170 1.00 71.44 H new ATOM 0 HB3 LYS A 42 10.369 -0.160 0.014 1.00 71.44 H new ATOM 0 HG2 LYS A 42 11.719 -0.782 -1.921 1.00 60.40 H new ATOM 0 HG3 LYS A 42 10.412 0.268 -2.429 1.00 60.40 H new ATOM 0 HD2 LYS A 42 11.939 2.212 -2.468 1.00 3.24 H new ATOM 0 HD3 LYS A 42 13.250 1.228 -1.850 1.00 3.24 H new ATOM 0 HE2 LYS A 42 13.153 -0.196 -3.891 1.00 4.34 H new ATOM 0 HE3 LYS A 42 11.829 0.772 -4.509 1.00 4.34 H new ATOM 0 HZ1 LYS A 42 13.932 1.455 -5.460 1.00 13.04 H new ATOM 0 HZ2 LYS A 42 13.287 2.711 -4.517 1.00 13.04 H new ATOM 0 HZ3 LYS A 42 14.570 1.773 -3.919 1.00 13.04 H new ATOM 675 N GLU A 43 8.115 1.234 -0.057 1.00 5.20 N ATOM 676 CA GLU A 43 6.682 1.197 -0.398 1.00 2.21 C ATOM 677 C GLU A 43 5.810 1.108 0.868 1.00 13.20 C ATOM 678 O GLU A 43 6.242 0.589 1.898 1.00 10.12 O ATOM 679 CB GLU A 43 6.380 0.001 -1.322 1.00 74.35 C ATOM 680 CG GLU A 43 7.144 0.044 -2.638 1.00 50.52 C ATOM 681 CD GLU A 43 6.755 -1.067 -3.608 1.00 12.13 C ATOM 682 OE1 GLU A 43 5.554 -1.206 -3.918 1.00 5.50 O ATOM 683 OE2 GLU A 43 7.661 -1.785 -4.091 1.00 54.41 O ATOM 0 H GLU A 43 8.373 0.621 0.717 1.00 5.20 H new ATOM 0 HA GLU A 43 6.441 2.124 -0.918 1.00 2.21 H new ATOM 0 HB2 GLU A 43 6.625 -0.923 -0.799 1.00 74.35 H new ATOM 0 HB3 GLU A 43 5.311 -0.025 -1.532 1.00 74.35 H new ATOM 0 HG2 GLU A 43 6.973 1.008 -3.116 1.00 50.52 H new ATOM 0 HG3 GLU A 43 8.212 -0.024 -2.431 1.00 50.52 H new ATOM 690 N ARG A 44 4.586 1.627 0.789 1.00 14.30 N ATOM 691 CA ARG A 44 3.635 1.553 1.909 1.00 64.34 C ATOM 692 C ARG A 44 2.393 0.726 1.533 1.00 33.33 C ATOM 693 O ARG A 44 1.640 1.081 0.624 1.00 3.21 O ATOM 694 CB ARG A 44 3.241 2.964 2.390 1.00 54.23 C ATOM 695 CG ARG A 44 2.960 3.963 1.272 1.00 13.31 C ATOM 696 CD ARG A 44 2.591 5.344 1.821 1.00 22.23 C ATOM 697 NE ARG A 44 3.555 5.825 2.817 1.00 3.24 N ATOM 698 CZ ARG A 44 4.185 6.969 2.752 1.00 1.42 C ATOM 699 NH1 ARG A 44 4.018 7.765 1.744 1.00 22.14 N ATOM 700 NH2 ARG A 44 4.989 7.310 3.706 1.00 20.20 N ATOM 0 H ARG A 44 4.225 2.104 -0.037 1.00 14.30 H new ATOM 0 HA ARG A 44 4.131 1.043 2.735 1.00 64.34 H new ATOM 0 HB2 ARG A 44 2.354 2.884 3.019 1.00 54.23 H new ATOM 0 HB3 ARG A 44 4.042 3.356 3.017 1.00 54.23 H new ATOM 0 HG2 ARG A 44 3.839 4.049 0.633 1.00 13.31 H new ATOM 0 HG3 ARG A 44 2.147 3.591 0.648 1.00 13.31 H new ATOM 0 HD2 ARG A 44 2.537 6.057 0.998 1.00 22.23 H new ATOM 0 HD3 ARG A 44 1.599 5.300 2.271 1.00 22.23 H new ATOM 0 HE ARG A 44 3.748 5.224 3.618 1.00 3.24 H new ATOM 0 HH11 ARG A 44 3.388 7.503 0.986 1.00 22.14 H new ATOM 0 HH12 ARG A 44 4.517 8.654 1.708 1.00 22.14 H new ATOM 0 HH21 ARG A 44 5.128 6.688 4.502 1.00 20.20 H new ATOM 0 HH22 ARG A 44 5.484 8.201 3.662 1.00 20.20 H new ATOM 714 N THR A 45 2.199 -0.387 2.242 1.00 14.13 N ATOM 715 CA THR A 45 1.120 -1.343 1.948 1.00 73.14 C ATOM 716 C THR A 45 -0.167 -1.040 2.732 1.00 62.32 C ATOM 717 O THR A 45 -0.159 -0.979 3.963 1.00 30.41 O ATOM 718 CB THR A 45 1.561 -2.794 2.269 1.00 22.42 C ATOM 719 OG1 THR A 45 2.693 -3.157 1.465 1.00 34.51 O ATOM 720 CG2 THR A 45 0.425 -3.787 2.027 1.00 4.23 C ATOM 0 H THR A 45 2.782 -0.655 3.035 1.00 14.13 H new ATOM 0 HA THR A 45 0.910 -1.239 0.883 1.00 73.14 H new ATOM 0 HB THR A 45 1.833 -2.832 3.324 1.00 22.42 H new ATOM 0 HG1 THR A 45 2.475 -3.949 0.931 1.00 34.51 H new ATOM 0 HG21 THR A 45 0.767 -4.795 2.261 1.00 4.23 H new ATOM 0 HG22 THR A 45 -0.422 -3.534 2.665 1.00 4.23 H new ATOM 0 HG23 THR A 45 0.119 -3.742 0.982 1.00 4.23 H new ATOM 728 N TYR A 46 -1.267 -0.859 2.004 1.00 14.25 N ATOM 729 CA TYR A 46 -2.599 -0.676 2.597 1.00 22.11 C ATOM 730 C TYR A 46 -3.444 -1.957 2.459 1.00 25.23 C ATOM 731 O TYR A 46 -3.306 -2.699 1.482 1.00 70.24 O ATOM 732 CB TYR A 46 -3.342 0.477 1.903 1.00 71.04 C ATOM 733 CG TYR A 46 -2.663 1.833 2.000 1.00 12.34 C ATOM 734 CD1 TYR A 46 -1.572 2.150 1.196 1.00 1.14 C ATOM 735 CD2 TYR A 46 -3.132 2.805 2.877 1.00 42.00 C ATOM 736 CE1 TYR A 46 -0.969 3.392 1.268 1.00 71.44 C ATOM 737 CE2 TYR A 46 -2.538 4.050 2.946 1.00 35.23 C ATOM 738 CZ TYR A 46 -1.460 4.340 2.142 1.00 74.24 C ATOM 739 OH TYR A 46 -0.870 5.584 2.207 1.00 65.44 O ATOM 0 H TYR A 46 -1.265 -0.834 0.984 1.00 14.25 H new ATOM 0 HA TYR A 46 -2.459 -0.446 3.653 1.00 22.11 H new ATOM 0 HB2 TYR A 46 -3.468 0.226 0.850 1.00 71.04 H new ATOM 0 HB3 TYR A 46 -4.340 0.556 2.333 1.00 71.04 H new ATOM 0 HD1 TYR A 46 -1.190 1.414 0.504 1.00 1.14 H new ATOM 0 HD2 TYR A 46 -3.975 2.583 3.515 1.00 42.00 H new ATOM 0 HE1 TYR A 46 -0.118 3.619 0.643 1.00 71.44 H new ATOM 0 HE2 TYR A 46 -2.919 4.794 3.630 1.00 35.23 H new ATOM 0 HH TYR A 46 -0.620 5.875 1.305 1.00 65.44 H new ATOM 749 N ASP A 47 -4.321 -2.204 3.429 1.00 31.24 N ATOM 750 CA ASP A 47 -5.265 -3.329 3.353 1.00 14.14 C ATOM 751 C ASP A 47 -6.615 -2.873 2.776 1.00 75.54 C ATOM 752 O ASP A 47 -7.273 -1.983 3.329 1.00 32.35 O ATOM 753 CB ASP A 47 -5.492 -3.943 4.741 1.00 63.24 C ATOM 754 CG ASP A 47 -4.238 -4.556 5.346 1.00 71.43 C ATOM 755 OD1 ASP A 47 -3.572 -5.367 4.665 1.00 14.45 O ATOM 756 OD2 ASP A 47 -3.931 -4.252 6.519 1.00 33.35 O ATOM 0 H ASP A 47 -4.402 -1.644 4.278 1.00 31.24 H new ATOM 0 HA ASP A 47 -4.829 -4.080 2.694 1.00 14.14 H new ATOM 0 HB2 ASP A 47 -5.871 -3.173 5.413 1.00 63.24 H new ATOM 0 HB3 ASP A 47 -6.263 -4.710 4.669 1.00 63.24 H new ATOM 761 N LEU A 48 -7.029 -3.476 1.663 1.00 30.34 N ATOM 762 CA LEU A 48 -8.330 -3.172 1.047 1.00 71.32 C ATOM 763 C LEU A 48 -9.177 -4.448 0.900 1.00 65.21 C ATOM 764 O LEU A 48 -8.644 -5.533 0.673 1.00 24.01 O ATOM 765 CB LEU A 48 -8.141 -2.527 -0.341 1.00 5.31 C ATOM 766 CG LEU A 48 -7.257 -1.268 -0.389 1.00 3.12 C ATOM 767 CD1 LEU A 48 -7.207 -0.700 -1.805 1.00 71.34 C ATOM 768 CD2 LEU A 48 -7.756 -0.211 0.590 1.00 32.02 C ATOM 0 H LEU A 48 -6.485 -4.180 1.165 1.00 30.34 H new ATOM 0 HA LEU A 48 -8.848 -2.471 1.702 1.00 71.32 H new ATOM 0 HB2 LEU A 48 -7.712 -3.273 -1.010 1.00 5.31 H new ATOM 0 HB3 LEU A 48 -9.124 -2.271 -0.737 1.00 5.31 H new ATOM 0 HG LEU A 48 -6.248 -1.555 -0.094 1.00 3.12 H new ATOM 0 HD11 LEU A 48 -6.577 0.190 -1.818 1.00 71.34 H new ATOM 0 HD12 LEU A 48 -6.794 -1.447 -2.482 1.00 71.34 H new ATOM 0 HD13 LEU A 48 -8.214 -0.436 -2.127 1.00 71.34 H new ATOM 0 HD21 LEU A 48 -7.113 0.668 0.535 1.00 32.02 H new ATOM 0 HD22 LEU A 48 -8.777 0.070 0.333 1.00 32.02 H new ATOM 0 HD23 LEU A 48 -7.735 -0.614 1.603 1.00 32.02 H new ATOM 780 N LYS A 49 -10.497 -4.322 1.044 1.00 4.53 N ATOM 781 CA LYS A 49 -11.409 -5.456 0.815 1.00 22.04 C ATOM 782 C LYS A 49 -12.281 -5.219 -0.426 1.00 54.13 C ATOM 783 O LYS A 49 -12.723 -4.097 -0.687 1.00 0.43 O ATOM 784 CB LYS A 49 -12.300 -5.725 2.046 1.00 12.01 C ATOM 785 CG LYS A 49 -11.534 -6.238 3.272 1.00 33.01 C ATOM 786 CD LYS A 49 -10.876 -5.108 4.065 1.00 51.44 C ATOM 787 CE LYS A 49 -11.866 -4.415 4.999 1.00 14.44 C ATOM 788 NZ LYS A 49 -12.224 -5.275 6.163 1.00 65.15 N ATOM 0 H LYS A 49 -10.961 -3.455 1.316 1.00 4.53 H new ATOM 0 HA LYS A 49 -10.790 -6.337 0.645 1.00 22.04 H new ATOM 0 HB2 LYS A 49 -12.819 -4.805 2.314 1.00 12.01 H new ATOM 0 HB3 LYS A 49 -13.064 -6.455 1.776 1.00 12.01 H new ATOM 0 HG2 LYS A 49 -12.218 -6.783 3.922 1.00 33.01 H new ATOM 0 HG3 LYS A 49 -10.769 -6.945 2.949 1.00 33.01 H new ATOM 0 HD2 LYS A 49 -10.047 -5.509 4.648 1.00 51.44 H new ATOM 0 HD3 LYS A 49 -10.456 -4.377 3.374 1.00 51.44 H new ATOM 0 HE2 LYS A 49 -11.435 -3.480 5.357 1.00 14.44 H new ATOM 0 HE3 LYS A 49 -12.769 -4.158 4.445 1.00 14.44 H new ATOM 0 HZ1 LYS A 49 -12.559 -4.678 6.946 1.00 65.15 H new ATOM 0 HZ2 LYS A 49 -12.976 -5.938 5.887 1.00 65.15 H new ATOM 0 HZ3 LYS A 49 -11.387 -5.810 6.470 1.00 65.15 H new ATOM 802 N SER A 50 -12.520 -6.281 -1.191 1.00 73.23 N ATOM 803 CA SER A 50 -13.302 -6.190 -2.435 1.00 41.33 C ATOM 804 C SER A 50 -14.696 -6.807 -2.278 1.00 63.11 C ATOM 805 O SER A 50 -14.917 -7.667 -1.422 1.00 61.43 O ATOM 806 CB SER A 50 -12.561 -6.904 -3.572 1.00 34.51 C ATOM 807 OG SER A 50 -12.416 -8.292 -3.304 1.00 32.25 O ATOM 0 H SER A 50 -12.185 -7.220 -0.976 1.00 73.23 H new ATOM 0 HA SER A 50 -13.421 -5.132 -2.669 1.00 41.33 H new ATOM 0 HB2 SER A 50 -13.106 -6.767 -4.506 1.00 34.51 H new ATOM 0 HB3 SER A 50 -11.578 -6.453 -3.707 1.00 34.51 H new ATOM 0 HG SER A 50 -11.942 -8.721 -4.047 1.00 32.25 H new ATOM 866 N ARG A 55 -12.990 -10.634 -0.140 1.00 33.24 N ATOM 867 CA ARG A 55 -11.687 -10.996 0.436 1.00 75.12 C ATOM 868 C ARG A 55 -10.761 -9.776 0.547 1.00 41.14 C ATOM 869 O ARG A 55 -11.047 -8.710 -0.007 1.00 10.02 O ATOM 870 CB ARG A 55 -11.029 -12.083 -0.426 1.00 12.30 C ATOM 871 CG ARG A 55 -10.659 -11.615 -1.827 1.00 61.01 C ATOM 872 CD ARG A 55 -10.284 -12.782 -2.733 1.00 13.31 C ATOM 873 NE ARG A 55 -11.425 -13.652 -3.010 1.00 53.53 N ATOM 874 CZ ARG A 55 -11.355 -14.755 -3.702 1.00 52.50 C ATOM 875 NH1 ARG A 55 -10.209 -15.215 -4.106 1.00 23.24 N ATOM 876 NH2 ARG A 55 -12.431 -15.420 -3.963 1.00 74.41 N ATOM 0 HA ARG A 55 -11.853 -11.377 1.444 1.00 75.12 H new ATOM 0 HB2 ARG A 55 -10.130 -12.439 0.078 1.00 12.30 H new ATOM 0 HB3 ARG A 55 -11.708 -12.932 -0.504 1.00 12.30 H new ATOM 0 HG2 ARG A 55 -11.498 -11.072 -2.262 1.00 61.01 H new ATOM 0 HG3 ARG A 55 -9.824 -10.917 -1.768 1.00 61.01 H new ATOM 0 HD2 ARG A 55 -9.885 -12.398 -3.672 1.00 13.31 H new ATOM 0 HD3 ARG A 55 -9.490 -13.364 -2.264 1.00 13.31 H new ATOM 0 HE ARG A 55 -12.335 -13.379 -2.638 1.00 53.53 H new ATOM 0 HH11 ARG A 55 -9.350 -14.712 -3.883 1.00 23.24 H new ATOM 0 HH12 ARG A 55 -10.168 -16.079 -4.647 1.00 23.24 H new ATOM 0 HH21 ARG A 55 -13.333 -15.082 -3.628 1.00 74.41 H new ATOM 0 HH22 ARG A 55 -12.379 -16.283 -4.504 1.00 74.41 H new ATOM 890 N MET A 56 -9.652 -9.938 1.268 1.00 41.53 N ATOM 891 CA MET A 56 -8.689 -8.850 1.453 1.00 5.41 C ATOM 892 C MET A 56 -7.539 -8.923 0.435 1.00 74.20 C ATOM 893 O MET A 56 -7.135 -10.002 -0.005 1.00 51.14 O ATOM 894 CB MET A 56 -8.123 -8.857 2.882 1.00 11.10 C ATOM 895 CG MET A 56 -7.331 -10.111 3.240 1.00 72.02 C ATOM 896 SD MET A 56 -6.522 -9.982 4.850 1.00 64.21 S ATOM 897 CE MET A 56 -5.435 -8.583 4.569 1.00 41.32 C ATOM 0 H MET A 56 -9.397 -10.809 1.733 1.00 41.53 H new ATOM 0 HA MET A 56 -9.227 -7.917 1.287 1.00 5.41 H new ATOM 0 HB2 MET A 56 -7.479 -7.987 3.009 1.00 11.10 H new ATOM 0 HB3 MET A 56 -8.947 -8.749 3.587 1.00 11.10 H new ATOM 0 HG2 MET A 56 -8.000 -10.971 3.241 1.00 72.02 H new ATOM 0 HG3 MET A 56 -6.579 -10.293 2.473 1.00 72.02 H new ATOM 0 HE1 MET A 56 -4.595 -8.630 5.261 1.00 41.32 H new ATOM 0 HE2 MET A 56 -5.063 -8.611 3.545 1.00 41.32 H new ATOM 0 HE3 MET A 56 -5.986 -7.656 4.730 1.00 41.32 H new ATOM 907 N ILE A 57 -7.027 -7.754 0.069 1.00 72.53 N ATOM 908 CA ILE A 57 -5.900 -7.626 -0.867 1.00 42.11 C ATOM 909 C ILE A 57 -4.838 -6.685 -0.276 1.00 1.32 C ATOM 910 O ILE A 57 -5.180 -5.783 0.493 1.00 34.21 O ATOM 911 CB ILE A 57 -6.381 -7.052 -2.230 1.00 13.15 C ATOM 912 CG1 ILE A 57 -6.920 -5.618 -2.052 1.00 44.14 C ATOM 913 CG2 ILE A 57 -7.458 -7.945 -2.834 1.00 24.21 C ATOM 914 CD1 ILE A 57 -7.463 -4.984 -3.318 1.00 52.23 C ATOM 0 H ILE A 57 -7.379 -6.860 0.411 1.00 72.53 H new ATOM 0 HA ILE A 57 -5.474 -8.616 -1.027 1.00 42.11 H new ATOM 0 HB ILE A 57 -5.529 -7.023 -2.909 1.00 13.15 H new ATOM 0 HG12 ILE A 57 -7.710 -5.632 -1.301 1.00 44.14 H new ATOM 0 HG13 ILE A 57 -6.120 -4.989 -1.661 1.00 44.14 H new ATOM 0 HG21 ILE A 57 -7.783 -7.529 -3.787 1.00 24.21 H new ATOM 0 HG22 ILE A 57 -7.054 -8.945 -2.993 1.00 24.21 H new ATOM 0 HG23 ILE A 57 -8.308 -8.001 -2.154 1.00 24.21 H new ATOM 0 HD11 ILE A 57 -7.819 -3.978 -3.097 1.00 52.23 H new ATOM 0 HD12 ILE A 57 -6.673 -4.933 -4.067 1.00 52.23 H new ATOM 0 HD13 ILE A 57 -8.288 -5.585 -3.701 1.00 52.23 H new ATOM 926 N GLN A 58 -3.551 -6.866 -0.615 1.00 54.50 N ATOM 927 CA GLN A 58 -2.537 -5.942 -0.095 1.00 12.32 C ATOM 928 C GLN A 58 -2.029 -4.999 -1.190 1.00 53.14 C ATOM 929 O GLN A 58 -1.272 -5.390 -2.063 1.00 71.35 O ATOM 930 CB GLN A 58 -1.373 -6.677 0.610 1.00 45.13 C ATOM 931 CG GLN A 58 -0.976 -8.040 0.035 1.00 70.34 C ATOM 932 CD GLN A 58 -1.913 -9.166 0.456 1.00 31.13 C ATOM 933 OE1 GLN A 58 -2.812 -9.569 -0.420 1.00 63.30 O flip ATOM 934 NE2 GLN A 58 -1.784 -9.715 1.543 1.00 43.44 N flip ATOM 0 H GLN A 58 -3.201 -7.609 -1.219 1.00 54.50 H new ATOM 0 HA GLN A 58 -3.025 -5.334 0.667 1.00 12.32 H new ATOM 0 HB2 GLN A 58 -0.497 -6.029 0.587 1.00 45.13 H new ATOM 0 HB3 GLN A 58 -1.641 -6.814 1.658 1.00 45.13 H new ATOM 0 HG2 GLN A 58 -0.960 -7.977 -1.053 1.00 70.34 H new ATOM 0 HG3 GLN A 58 0.038 -8.281 0.355 1.00 70.34 H new ATOM 0 HE21 GLN A 58 -1.080 -9.382 2.202 1.00 43.44 H new ATOM 0 HE22 GLN A 58 -2.380 -10.505 1.789 1.00 43.44 H new ATOM 943 N VAL A 59 -2.464 -3.747 -1.136 1.00 44.40 N ATOM 944 CA VAL A 59 -2.105 -2.757 -2.153 1.00 5.34 C ATOM 945 C VAL A 59 -0.889 -1.936 -1.724 1.00 22.13 C ATOM 946 O VAL A 59 -0.912 -1.276 -0.688 1.00 21.11 O ATOM 947 CB VAL A 59 -3.294 -1.809 -2.446 1.00 75.54 C ATOM 948 CG1 VAL A 59 -2.890 -0.694 -3.414 1.00 55.03 C ATOM 949 CG2 VAL A 59 -4.476 -2.605 -2.997 1.00 30.12 C ATOM 0 H VAL A 59 -3.069 -3.388 -0.397 1.00 44.40 H new ATOM 0 HA VAL A 59 -1.854 -3.304 -3.062 1.00 5.34 H new ATOM 0 HB VAL A 59 -3.594 -1.338 -1.510 1.00 75.54 H new ATOM 0 HG11 VAL A 59 -3.746 -0.045 -3.600 1.00 55.03 H new ATOM 0 HG12 VAL A 59 -2.080 -0.110 -2.978 1.00 55.03 H new ATOM 0 HG13 VAL A 59 -2.556 -1.132 -4.355 1.00 55.03 H new ATOM 0 HG21 VAL A 59 -5.307 -1.929 -3.200 1.00 30.12 H new ATOM 0 HG22 VAL A 59 -4.180 -3.104 -3.920 1.00 30.12 H new ATOM 0 HG23 VAL A 59 -4.785 -3.351 -2.265 1.00 30.12 H new ATOM 959 N SER A 60 0.174 -1.972 -2.519 1.00 72.05 N ATOM 960 CA SER A 60 1.401 -1.238 -2.180 1.00 50.35 C ATOM 961 C SER A 60 1.669 -0.106 -3.172 1.00 33.12 C ATOM 962 O SER A 60 1.597 -0.288 -4.391 1.00 43.30 O ATOM 963 CB SER A 60 2.618 -2.174 -2.128 1.00 51.14 C ATOM 964 OG SER A 60 2.938 -2.688 -3.406 1.00 4.24 O ATOM 0 H SER A 60 0.218 -2.493 -3.395 1.00 72.05 H new ATOM 0 HA SER A 60 1.246 -0.807 -1.191 1.00 50.35 H new ATOM 0 HB2 SER A 60 3.476 -1.633 -1.728 1.00 51.14 H new ATOM 0 HB3 SER A 60 2.414 -2.998 -1.445 1.00 51.14 H new ATOM 0 HG SER A 60 3.810 -2.342 -3.689 1.00 4.24 H new ATOM 970 N ILE A 61 1.955 1.074 -2.636 1.00 11.13 N ATOM 971 CA ILE A 61 2.331 2.230 -3.448 1.00 23.41 C ATOM 972 C ILE A 61 3.707 2.764 -3.012 1.00 24.31 C ATOM 973 O ILE A 61 4.056 2.700 -1.829 1.00 24.52 O ATOM 974 CB ILE A 61 1.273 3.364 -3.343 1.00 41.13 C ATOM 975 CG1 ILE A 61 1.113 3.824 -1.883 1.00 64.11 C ATOM 976 CG2 ILE A 61 -0.070 2.903 -3.920 1.00 72.11 C ATOM 977 CD1 ILE A 61 0.114 4.949 -1.694 1.00 34.14 C ATOM 0 H ILE A 61 1.934 1.259 -1.633 1.00 11.13 H new ATOM 0 HA ILE A 61 2.381 1.903 -4.486 1.00 23.41 H new ATOM 0 HB ILE A 61 1.621 4.214 -3.930 1.00 41.13 H new ATOM 0 HG12 ILE A 61 0.804 2.972 -1.277 1.00 64.11 H new ATOM 0 HG13 ILE A 61 2.084 4.147 -1.507 1.00 64.11 H new ATOM 0 HG21 ILE A 61 -0.798 3.710 -3.838 1.00 72.11 H new ATOM 0 HG22 ILE A 61 0.057 2.635 -4.969 1.00 72.11 H new ATOM 0 HG23 ILE A 61 -0.426 2.035 -3.364 1.00 72.11 H new ATOM 0 HD11 ILE A 61 0.060 5.214 -0.638 1.00 34.14 H new ATOM 0 HD12 ILE A 61 0.431 5.818 -2.271 1.00 34.14 H new ATOM 0 HD13 ILE A 61 -0.868 4.625 -2.037 1.00 34.14 H new ATOM 989 N PRO A 62 4.516 3.273 -3.962 1.00 61.15 N ATOM 990 CA PRO A 62 5.851 3.819 -3.655 1.00 12.04 C ATOM 991 C PRO A 62 5.838 4.847 -2.507 1.00 22.20 C ATOM 992 O PRO A 62 4.868 5.583 -2.329 1.00 31.03 O ATOM 993 CB PRO A 62 6.268 4.487 -4.972 1.00 43.11 C ATOM 994 CG PRO A 62 5.529 3.731 -6.026 1.00 14.31 C ATOM 995 CD PRO A 62 4.208 3.345 -5.407 1.00 25.33 C ATOM 0 HA PRO A 62 6.533 3.041 -3.313 1.00 12.04 H new ATOM 0 HB2 PRO A 62 6.002 5.544 -4.982 1.00 43.11 H new ATOM 0 HB3 PRO A 62 7.346 4.428 -5.123 1.00 43.11 H new ATOM 0 HG2 PRO A 62 5.380 4.344 -6.915 1.00 14.31 H new ATOM 0 HG3 PRO A 62 6.087 2.848 -6.338 1.00 14.31 H new ATOM 0 HD2 PRO A 62 3.435 4.084 -5.617 1.00 25.33 H new ATOM 0 HD3 PRO A 62 3.849 2.390 -5.790 1.00 25.33 H new ATOM 1003 N ALA A 63 6.925 4.896 -1.734 1.00 61.21 N ATOM 1004 CA ALA A 63 7.035 5.832 -0.606 1.00 11.05 C ATOM 1005 C ALA A 63 6.927 7.294 -1.068 1.00 3.00 C ATOM 1006 O ALA A 63 6.590 8.180 -0.285 1.00 1.20 O ATOM 1007 CB ALA A 63 8.349 5.609 0.132 1.00 3.43 C ATOM 0 H ALA A 63 7.742 4.300 -1.866 1.00 61.21 H new ATOM 0 HA ALA A 63 6.203 5.637 0.071 1.00 11.05 H new ATOM 0 HB1 ALA A 63 8.421 6.307 0.966 1.00 3.43 H new ATOM 0 HB2 ALA A 63 8.385 4.587 0.510 1.00 3.43 H new ATOM 0 HB3 ALA A 63 9.182 5.773 -0.551 1.00 3.43 H new ATOM 1013 N SER A 64 7.223 7.533 -2.344 1.00 70.32 N ATOM 1014 CA SER A 64 7.093 8.869 -2.940 1.00 31.24 C ATOM 1015 C SER A 64 5.626 9.332 -2.987 1.00 1.31 C ATOM 1016 O SER A 64 5.347 10.529 -3.071 1.00 70.03 O ATOM 1017 CB SER A 64 7.693 8.881 -4.355 1.00 34.25 C ATOM 1018 OG SER A 64 7.104 7.883 -5.179 1.00 43.23 O ATOM 0 H SER A 64 7.556 6.818 -2.991 1.00 70.32 H new ATOM 0 HA SER A 64 7.643 9.566 -2.308 1.00 31.24 H new ATOM 0 HB2 SER A 64 7.544 9.862 -4.806 1.00 34.25 H new ATOM 0 HB3 SER A 64 8.769 8.718 -4.297 1.00 34.25 H new ATOM 0 HG SER A 64 7.505 7.918 -6.072 1.00 43.23 H new ATOM 1024 N VAL A 65 4.698 8.378 -2.927 1.00 23.30 N ATOM 1025 CA VAL A 65 3.261 8.677 -2.924 1.00 43.02 C ATOM 1026 C VAL A 65 2.761 8.972 -1.491 1.00 42.34 C ATOM 1027 O VAL A 65 2.941 8.153 -0.587 1.00 31.40 O ATOM 1028 CB VAL A 65 2.448 7.501 -3.527 1.00 41.12 C ATOM 1029 CG1 VAL A 65 0.973 7.876 -3.669 1.00 44.44 C ATOM 1030 CG2 VAL A 65 3.036 7.077 -4.873 1.00 74.43 C ATOM 0 H VAL A 65 4.915 7.383 -2.879 1.00 23.30 H new ATOM 0 HA VAL A 65 3.110 9.563 -3.540 1.00 43.02 H new ATOM 0 HB VAL A 65 2.514 6.654 -2.844 1.00 41.12 H new ATOM 0 HG11 VAL A 65 0.423 7.036 -4.094 1.00 44.44 H new ATOM 0 HG12 VAL A 65 0.563 8.119 -2.689 1.00 44.44 H new ATOM 0 HG13 VAL A 65 0.879 8.741 -4.326 1.00 44.44 H new ATOM 0 HG21 VAL A 65 2.453 6.251 -5.281 1.00 74.43 H new ATOM 0 HG22 VAL A 65 3.006 7.919 -5.565 1.00 74.43 H new ATOM 0 HG23 VAL A 65 4.069 6.758 -4.735 1.00 74.43 H new ATOM 1040 N PRO A 66 2.129 10.147 -1.269 1.00 1.40 N ATOM 1041 CA PRO A 66 1.680 10.586 0.076 1.00 35.24 C ATOM 1042 C PRO A 66 0.783 9.572 0.817 1.00 55.03 C ATOM 1043 O PRO A 66 0.167 8.693 0.208 1.00 44.53 O ATOM 1044 CB PRO A 66 0.896 11.872 -0.223 1.00 32.41 C ATOM 1045 CG PRO A 66 1.469 12.378 -1.502 1.00 32.23 C ATOM 1046 CD PRO A 66 1.811 11.151 -2.304 1.00 24.41 C ATOM 0 HA PRO A 66 2.531 10.710 0.745 1.00 35.24 H new ATOM 0 HB2 PRO A 66 -0.171 11.671 -0.319 1.00 32.41 H new ATOM 0 HB3 PRO A 66 1.012 12.602 0.579 1.00 32.41 H new ATOM 0 HG2 PRO A 66 0.752 13.006 -2.032 1.00 32.23 H new ATOM 0 HG3 PRO A 66 2.354 12.988 -1.321 1.00 32.23 H new ATOM 0 HD2 PRO A 66 0.977 10.834 -2.929 1.00 24.41 H new ATOM 0 HD3 PRO A 66 2.658 11.327 -2.967 1.00 24.41 H new ATOM 1054 N LEU A 67 0.710 9.715 2.143 1.00 64.03 N ATOM 1055 CA LEU A 67 -0.110 8.840 2.994 1.00 11.12 C ATOM 1056 C LEU A 67 -1.607 9.187 2.871 1.00 42.23 C ATOM 1057 O LEU A 67 -2.002 10.344 3.022 1.00 32.43 O ATOM 1058 CB LEU A 67 0.357 8.960 4.454 1.00 51.15 C ATOM 1059 CG LEU A 67 -0.329 8.016 5.454 1.00 62.30 C ATOM 1060 CD1 LEU A 67 -0.094 6.559 5.072 1.00 51.23 C ATOM 1061 CD2 LEU A 67 0.163 8.289 6.874 1.00 62.12 C ATOM 0 H LEU A 67 1.214 10.437 2.658 1.00 64.03 H new ATOM 0 HA LEU A 67 0.016 7.810 2.660 1.00 11.12 H new ATOM 0 HB2 LEU A 67 1.431 8.777 4.489 1.00 51.15 H new ATOM 0 HB3 LEU A 67 0.197 9.987 4.784 1.00 51.15 H new ATOM 0 HG LEU A 67 -1.402 8.205 5.421 1.00 62.30 H new ATOM 0 HD11 LEU A 67 -0.589 5.909 5.794 1.00 51.23 H new ATOM 0 HD12 LEU A 67 -0.501 6.373 4.078 1.00 51.23 H new ATOM 0 HD13 LEU A 67 0.976 6.351 5.071 1.00 51.23 H new ATOM 0 HD21 LEU A 67 -0.334 7.611 7.568 1.00 62.12 H new ATOM 0 HD22 LEU A 67 1.241 8.132 6.922 1.00 62.12 H new ATOM 0 HD23 LEU A 67 -0.066 9.319 7.147 1.00 62.12 H new ATOM 1073 N LYS A 68 -2.437 8.175 2.601 1.00 54.31 N ATOM 1074 CA LYS A 68 -3.873 8.388 2.343 1.00 11.25 C ATOM 1075 C LYS A 68 -4.709 8.476 3.635 1.00 41.21 C ATOM 1076 O LYS A 68 -5.307 9.512 3.919 1.00 34.42 O ATOM 1077 CB LYS A 68 -4.420 7.279 1.426 1.00 71.51 C ATOM 1078 CG LYS A 68 -4.080 7.469 -0.057 1.00 74.01 C ATOM 1079 CD LYS A 68 -2.577 7.436 -0.324 1.00 55.40 C ATOM 1080 CE LYS A 68 -2.245 7.771 -1.775 1.00 21.33 C ATOM 1081 NZ LYS A 68 -2.654 9.154 -2.145 1.00 62.04 N ATOM 0 H LYS A 68 -2.144 7.199 2.554 1.00 54.31 H new ATOM 0 HA LYS A 68 -3.964 9.353 1.844 1.00 11.25 H new ATOM 0 HB2 LYS A 68 -4.024 6.319 1.758 1.00 71.51 H new ATOM 0 HB3 LYS A 68 -5.503 7.233 1.536 1.00 71.51 H new ATOM 0 HG2 LYS A 68 -4.566 6.687 -0.640 1.00 74.01 H new ATOM 0 HG3 LYS A 68 -4.485 8.421 -0.400 1.00 74.01 H new ATOM 0 HD2 LYS A 68 -2.076 8.145 0.335 1.00 55.40 H new ATOM 0 HD3 LYS A 68 -2.188 6.447 -0.082 1.00 55.40 H new ATOM 0 HE2 LYS A 68 -1.173 7.657 -1.936 1.00 21.33 H new ATOM 0 HE3 LYS A 68 -2.744 7.059 -2.433 1.00 21.33 H new ATOM 0 HZ1 LYS A 68 -2.333 9.364 -3.111 1.00 62.04 H new ATOM 0 HZ2 LYS A 68 -3.690 9.234 -2.100 1.00 62.04 H new ATOM 0 HZ3 LYS A 68 -2.225 9.832 -1.483 1.00 62.04 H new ATOM 1095 N GLU A 69 -4.760 7.380 4.395 1.00 62.35 N ATOM 1096 CA GLU A 69 -5.556 7.315 5.634 1.00 2.21 C ATOM 1097 C GLU A 69 -7.050 7.631 5.404 1.00 24.32 C ATOM 1098 O GLU A 69 -7.625 8.490 6.077 1.00 2.30 O ATOM 1099 CB GLU A 69 -4.989 8.264 6.702 1.00 41.23 C ATOM 1100 CG GLU A 69 -3.595 7.894 7.193 1.00 2.10 C ATOM 1101 CD GLU A 69 -3.140 8.766 8.353 1.00 72.41 C ATOM 1102 OE1 GLU A 69 -2.593 9.863 8.106 1.00 50.42 O ATOM 1103 OE2 GLU A 69 -3.339 8.362 9.519 1.00 54.24 O ATOM 0 H GLU A 69 -4.259 6.519 4.177 1.00 62.35 H new ATOM 0 HA GLU A 69 -5.486 6.285 5.984 1.00 2.21 H new ATOM 0 HB2 GLU A 69 -4.962 9.275 6.295 1.00 41.23 H new ATOM 0 HB3 GLU A 69 -5.669 8.281 7.554 1.00 41.23 H new ATOM 0 HG2 GLU A 69 -3.587 6.849 7.502 1.00 2.10 H new ATOM 0 HG3 GLU A 69 -2.886 7.988 6.371 1.00 2.10 H new ATOM 1110 N PHE A 70 -7.679 6.939 4.457 1.00 12.23 N ATOM 1111 CA PHE A 70 -9.129 7.069 4.252 1.00 0.15 C ATOM 1112 C PHE A 70 -9.922 6.387 5.384 1.00 42.24 C ATOM 1113 O PHE A 70 -9.347 5.718 6.247 1.00 0.34 O ATOM 1114 CB PHE A 70 -9.545 6.474 2.897 1.00 72.20 C ATOM 1115 CG PHE A 70 -8.979 7.199 1.704 1.00 40.34 C ATOM 1116 CD1 PHE A 70 -9.343 8.512 1.439 1.00 4.24 C ATOM 1117 CD2 PHE A 70 -8.093 6.570 0.840 1.00 3.11 C ATOM 1118 CE1 PHE A 70 -8.835 9.181 0.343 1.00 1.40 C ATOM 1119 CE2 PHE A 70 -7.586 7.233 -0.260 1.00 10.33 C ATOM 1120 CZ PHE A 70 -7.957 8.541 -0.509 1.00 11.24 C ATOM 0 H PHE A 70 -7.218 6.287 3.822 1.00 12.23 H new ATOM 0 HA PHE A 70 -9.362 8.134 4.261 1.00 0.15 H new ATOM 0 HB2 PHE A 70 -9.229 5.432 2.858 1.00 72.20 H new ATOM 0 HB3 PHE A 70 -10.633 6.480 2.829 1.00 72.20 H new ATOM 0 HD1 PHE A 70 -10.033 9.017 2.099 1.00 4.24 H new ATOM 0 HD2 PHE A 70 -7.797 5.549 1.031 1.00 3.11 H new ATOM 0 HE1 PHE A 70 -9.124 10.204 0.152 1.00 1.40 H new ATOM 0 HE2 PHE A 70 -6.900 6.730 -0.925 1.00 10.33 H new ATOM 0 HZ PHE A 70 -7.561 9.061 -1.368 1.00 11.24 H new ATOM 1130 N ASP A 71 -11.238 6.568 5.374 1.00 0.01 N ATOM 1131 CA ASP A 71 -12.120 5.943 6.368 1.00 74.44 C ATOM 1132 C ASP A 71 -12.221 4.419 6.167 1.00 62.20 C ATOM 1133 O ASP A 71 -11.923 3.900 5.089 1.00 24.34 O ATOM 1134 CB ASP A 71 -13.519 6.559 6.279 1.00 11.42 C ATOM 1135 CG ASP A 71 -13.502 8.064 6.463 1.00 22.22 C ATOM 1136 OD1 ASP A 71 -13.270 8.785 5.470 1.00 2.32 O ATOM 1137 OD2 ASP A 71 -13.711 8.534 7.598 1.00 33.33 O ATOM 0 H ASP A 71 -11.725 7.144 4.687 1.00 0.01 H new ATOM 0 HA ASP A 71 -11.689 6.127 7.352 1.00 74.44 H new ATOM 0 HB2 ASP A 71 -13.957 6.319 5.310 1.00 11.42 H new ATOM 0 HB3 ASP A 71 -14.159 6.110 7.038 1.00 11.42 H new ATOM 1142 N TYR A 72 -12.647 3.709 7.207 1.00 23.42 N ATOM 1143 CA TYR A 72 -12.893 2.269 7.103 1.00 51.52 C ATOM 1144 C TYR A 72 -14.153 2.011 6.254 1.00 51.00 C ATOM 1145 O TYR A 72 -15.171 2.677 6.438 1.00 4.34 O ATOM 1146 CB TYR A 72 -13.047 1.652 8.504 1.00 22.53 C ATOM 1147 CG TYR A 72 -13.093 0.132 8.509 1.00 73.41 C ATOM 1148 CD1 TYR A 72 -11.923 -0.618 8.441 1.00 34.23 C ATOM 1149 CD2 TYR A 72 -14.302 -0.554 8.576 1.00 31.53 C ATOM 1150 CE1 TYR A 72 -11.957 -1.999 8.437 1.00 64.10 C ATOM 1151 CE2 TYR A 72 -14.342 -1.935 8.571 1.00 11.21 C ATOM 1152 CZ TYR A 72 -13.168 -2.651 8.502 1.00 22.43 C ATOM 1153 OH TYR A 72 -13.205 -4.027 8.492 1.00 13.22 O ATOM 0 H TYR A 72 -12.829 4.103 8.130 1.00 23.42 H new ATOM 0 HA TYR A 72 -12.041 1.798 6.613 1.00 51.52 H new ATOM 0 HB2 TYR A 72 -12.217 1.982 9.128 1.00 22.53 H new ATOM 0 HB3 TYR A 72 -13.960 2.034 8.960 1.00 22.53 H new ATOM 0 HD1 TYR A 72 -10.971 -0.111 8.390 1.00 34.23 H new ATOM 0 HD2 TYR A 72 -15.225 0.003 8.633 1.00 31.53 H new ATOM 0 HE1 TYR A 72 -11.038 -2.564 8.383 1.00 64.10 H new ATOM 0 HE2 TYR A 72 -15.290 -2.450 8.621 1.00 11.21 H new ATOM 0 HH TYR A 72 -14.136 -4.330 8.545 1.00 13.22 H new ATOM 1163 N ASN A 73 -14.066 1.056 5.324 1.00 10.43 N ATOM 1164 CA ASN A 73 -15.153 0.765 4.365 1.00 73.31 C ATOM 1165 C ASN A 73 -15.353 1.907 3.349 1.00 60.31 C ATOM 1166 O ASN A 73 -16.350 1.930 2.626 1.00 60.53 O ATOM 1167 CB ASN A 73 -16.477 0.479 5.093 1.00 52.41 C ATOM 1168 CG ASN A 73 -16.412 -0.769 5.951 1.00 75.35 C ATOM 1169 OD1 ASN A 73 -15.727 -1.731 5.623 1.00 22.34 O ATOM 1170 ND2 ASN A 73 -17.120 -0.763 7.059 1.00 73.35 N ATOM 0 H ASN A 73 -13.246 0.461 5.209 1.00 10.43 H new ATOM 0 HA ASN A 73 -14.850 -0.126 3.816 1.00 73.31 H new ATOM 0 HB2 ASN A 73 -16.735 1.333 5.719 1.00 52.41 H new ATOM 0 HB3 ASN A 73 -17.275 0.370 4.359 1.00 52.41 H new ATOM 0 HD21 ASN A 73 -17.110 -1.576 7.675 1.00 73.35 H new ATOM 0 HD22 ASN A 73 -17.679 0.054 7.302 1.00 73.35 H new ATOM 1177 N ALA A 74 -14.403 2.843 3.286 1.00 54.40 N ATOM 1178 CA ALA A 74 -14.476 3.957 2.328 1.00 33.33 C ATOM 1179 C ALA A 74 -14.301 3.471 0.883 1.00 53.33 C ATOM 1180 O ALA A 74 -13.436 2.644 0.595 1.00 20.00 O ATOM 1181 CB ALA A 74 -13.429 5.016 2.658 1.00 35.21 C ATOM 0 H ALA A 74 -13.576 2.855 3.883 1.00 54.40 H new ATOM 0 HA ALA A 74 -15.468 4.400 2.414 1.00 33.33 H new ATOM 0 HB1 ALA A 74 -13.498 5.832 1.939 1.00 35.21 H new ATOM 0 HB2 ALA A 74 -13.605 5.401 3.662 1.00 35.21 H new ATOM 0 HB3 ALA A 74 -12.435 4.572 2.609 1.00 35.21 H new ATOM 1187 N ARG A 75 -15.122 3.995 -0.021 1.00 12.11 N ATOM 1188 CA ARG A 75 -15.097 3.581 -1.425 1.00 74.31 C ATOM 1189 C ARG A 75 -13.925 4.241 -2.170 1.00 22.24 C ATOM 1190 O ARG A 75 -13.966 5.435 -2.478 1.00 1.13 O ATOM 1191 CB ARG A 75 -16.432 3.944 -2.093 1.00 61.11 C ATOM 1192 CG ARG A 75 -17.653 3.525 -1.275 1.00 42.23 C ATOM 1193 CD ARG A 75 -18.960 3.994 -1.913 1.00 44.42 C ATOM 1194 NE ARG A 75 -19.256 3.294 -3.160 1.00 35.31 N ATOM 1195 CZ ARG A 75 -19.854 3.828 -4.190 1.00 63.22 C ATOM 1196 NH1 ARG A 75 -20.218 5.074 -4.183 1.00 42.40 N ATOM 1197 NH2 ARG A 75 -20.090 3.105 -5.232 1.00 32.14 N ATOM 0 H ARG A 75 -15.817 4.711 0.192 1.00 12.11 H new ATOM 0 HA ARG A 75 -14.956 2.501 -1.470 1.00 74.31 H new ATOM 0 HB2 ARG A 75 -16.466 5.021 -2.258 1.00 61.11 H new ATOM 0 HB3 ARG A 75 -16.480 3.470 -3.073 1.00 61.11 H new ATOM 0 HG2 ARG A 75 -17.667 2.440 -1.176 1.00 42.23 H new ATOM 0 HG3 ARG A 75 -17.573 3.936 -0.269 1.00 42.23 H new ATOM 0 HD2 ARG A 75 -19.779 3.840 -1.211 1.00 44.42 H new ATOM 0 HD3 ARG A 75 -18.902 5.065 -2.106 1.00 44.42 H new ATOM 0 HE ARG A 75 -18.975 2.316 -3.231 1.00 35.31 H new ATOM 0 HH11 ARG A 75 -20.038 5.653 -3.363 1.00 42.40 H new ATOM 0 HH12 ARG A 75 -20.684 5.474 -4.997 1.00 42.40 H new ATOM 0 HH21 ARG A 75 -19.810 2.124 -5.246 1.00 32.14 H new ATOM 0 HH22 ARG A 75 -20.557 3.514 -6.041 1.00 32.14 H new ATOM 1211 N VAL A 76 -12.875 3.467 -2.437 1.00 23.12 N ATOM 1212 CA VAL A 76 -11.679 3.977 -3.120 1.00 14.15 C ATOM 1213 C VAL A 76 -11.343 3.159 -4.380 1.00 55.25 C ATOM 1214 O VAL A 76 -11.709 1.987 -4.500 1.00 32.14 O ATOM 1215 CB VAL A 76 -10.447 3.988 -2.178 1.00 23.53 C ATOM 1216 CG1 VAL A 76 -10.708 4.866 -0.956 1.00 1.40 C ATOM 1217 CG2 VAL A 76 -10.058 2.569 -1.756 1.00 55.35 C ATOM 0 H VAL A 76 -12.825 2.478 -2.191 1.00 23.12 H new ATOM 0 HA VAL A 76 -11.912 4.999 -3.418 1.00 14.15 H new ATOM 0 HB VAL A 76 -9.608 4.412 -2.730 1.00 23.53 H new ATOM 0 HG11 VAL A 76 -9.831 4.859 -0.309 1.00 1.40 H new ATOM 0 HG12 VAL A 76 -10.913 5.887 -1.279 1.00 1.40 H new ATOM 0 HG13 VAL A 76 -11.567 4.480 -0.407 1.00 1.40 H new ATOM 0 HG21 VAL A 76 -9.191 2.610 -1.096 1.00 55.35 H new ATOM 0 HG22 VAL A 76 -10.892 2.104 -1.231 1.00 55.35 H new ATOM 0 HG23 VAL A 76 -9.813 1.981 -2.640 1.00 55.35 H new ATOM 1227 N GLU A 77 -10.655 3.795 -5.327 1.00 51.33 N ATOM 1228 CA GLU A 77 -10.196 3.124 -6.547 1.00 53.21 C ATOM 1229 C GLU A 77 -8.701 3.393 -6.791 1.00 73.22 C ATOM 1230 O GLU A 77 -8.146 4.392 -6.326 1.00 25.24 O ATOM 1231 CB GLU A 77 -11.027 3.577 -7.760 1.00 15.43 C ATOM 1232 CG GLU A 77 -10.995 5.080 -8.015 1.00 15.11 C ATOM 1233 CD GLU A 77 -11.771 5.477 -9.262 1.00 31.43 C ATOM 1234 OE1 GLU A 77 -13.010 5.317 -9.275 1.00 5.04 O ATOM 1235 OE2 GLU A 77 -11.143 5.927 -10.245 1.00 2.22 O ATOM 0 H GLU A 77 -10.401 4.781 -5.274 1.00 51.33 H new ATOM 0 HA GLU A 77 -10.333 2.051 -6.414 1.00 53.21 H new ATOM 0 HB2 GLU A 77 -10.663 3.061 -8.649 1.00 15.43 H new ATOM 0 HB3 GLU A 77 -12.062 3.267 -7.613 1.00 15.43 H new ATOM 0 HG2 GLU A 77 -11.410 5.600 -7.152 1.00 15.11 H new ATOM 0 HG3 GLU A 77 -9.960 5.406 -8.116 1.00 15.11 H new ATOM 1242 N LEU A 78 -8.054 2.492 -7.524 1.00 33.02 N ATOM 1243 CA LEU A 78 -6.605 2.567 -7.739 1.00 54.10 C ATOM 1244 C LEU A 78 -6.247 3.101 -9.132 1.00 42.45 C ATOM 1245 O LEU A 78 -6.869 2.751 -10.135 1.00 63.44 O ATOM 1246 CB LEU A 78 -5.971 1.186 -7.544 1.00 45.40 C ATOM 1247 CG LEU A 78 -6.107 0.600 -6.131 1.00 15.04 C ATOM 1248 CD1 LEU A 78 -5.486 -0.792 -6.062 1.00 62.53 C ATOM 1249 CD2 LEU A 78 -5.463 1.533 -5.106 1.00 31.01 C ATOM 0 H LEU A 78 -8.506 1.700 -7.981 1.00 33.02 H new ATOM 0 HA LEU A 78 -6.210 3.268 -7.004 1.00 54.10 H new ATOM 0 HB2 LEU A 78 -6.423 0.493 -8.253 1.00 45.40 H new ATOM 0 HB3 LEU A 78 -4.912 1.251 -7.793 1.00 45.40 H new ATOM 0 HG LEU A 78 -7.167 0.508 -5.895 1.00 15.04 H new ATOM 0 HD11 LEU A 78 -5.593 -1.189 -5.052 1.00 62.53 H new ATOM 0 HD12 LEU A 78 -5.992 -1.452 -6.767 1.00 62.53 H new ATOM 0 HD13 LEU A 78 -4.428 -0.732 -6.318 1.00 62.53 H new ATOM 0 HD21 LEU A 78 -5.567 1.105 -4.109 1.00 31.01 H new ATOM 0 HD22 LEU A 78 -4.406 1.656 -5.340 1.00 31.01 H new ATOM 0 HD23 LEU A 78 -5.957 2.504 -5.137 1.00 31.01 H new ATOM 1261 N ILE A 79 -5.225 3.951 -9.176 1.00 63.10 N ATOM 1262 CA ILE A 79 -4.700 4.483 -10.435 1.00 21.13 C ATOM 1263 C ILE A 79 -3.675 3.508 -11.048 1.00 13.25 C ATOM 1264 O ILE A 79 -2.559 3.372 -10.547 1.00 54.22 O ATOM 1265 CB ILE A 79 -4.039 5.872 -10.208 1.00 63.24 C ATOM 1266 CG1 ILE A 79 -5.029 6.842 -9.533 1.00 65.44 C ATOM 1267 CG2 ILE A 79 -3.524 6.457 -11.521 1.00 13.12 C ATOM 1268 CD1 ILE A 79 -6.286 7.112 -10.342 1.00 54.35 C ATOM 0 H ILE A 79 -4.738 4.290 -8.346 1.00 63.10 H new ATOM 0 HA ILE A 79 -5.533 4.600 -11.128 1.00 21.13 H new ATOM 0 HB ILE A 79 -3.186 5.733 -9.544 1.00 63.24 H new ATOM 0 HG12 ILE A 79 -5.315 6.435 -8.563 1.00 65.44 H new ATOM 0 HG13 ILE A 79 -4.522 7.788 -9.344 1.00 65.44 H new ATOM 0 HG21 ILE A 79 -3.067 7.428 -11.332 1.00 13.12 H new ATOM 0 HG22 ILE A 79 -2.783 5.785 -11.953 1.00 13.12 H new ATOM 0 HG23 ILE A 79 -4.355 6.576 -12.217 1.00 13.12 H new ATOM 0 HD11 ILE A 79 -6.928 7.803 -9.796 1.00 54.35 H new ATOM 0 HD12 ILE A 79 -6.014 7.550 -11.302 1.00 54.35 H new ATOM 0 HD13 ILE A 79 -6.819 6.176 -10.509 1.00 54.35 H new ATOM 1280 N ASN A 80 -4.077 2.821 -12.122 1.00 42.53 N ATOM 1281 CA ASN A 80 -3.240 1.793 -12.778 1.00 33.51 C ATOM 1282 C ASN A 80 -2.766 0.702 -11.789 1.00 31.32 C ATOM 1283 O ASN A 80 -1.581 0.623 -11.460 1.00 3.34 O ATOM 1284 CB ASN A 80 -2.027 2.424 -13.487 1.00 71.30 C ATOM 1285 CG ASN A 80 -2.425 3.366 -14.608 1.00 21.34 C ATOM 1286 OD1 ASN A 80 -2.491 4.645 -14.310 1.00 24.54 O flip ATOM 1287 ND2 ASN A 80 -2.647 2.948 -15.741 1.00 15.14 N flip ATOM 0 H ASN A 80 -4.986 2.956 -12.565 1.00 42.53 H new ATOM 0 HA ASN A 80 -3.873 1.314 -13.525 1.00 33.51 H new ATOM 0 HB2 ASN A 80 -1.428 2.968 -12.757 1.00 71.30 H new ATOM 0 HB3 ASN A 80 -1.396 1.632 -13.891 1.00 71.30 H new ATOM 0 HD21 ASN A 80 -2.587 1.949 -15.937 1.00 15.14 H new ATOM 0 HD22 ASN A 80 -2.892 3.600 -16.486 1.00 15.14 H new ATOM 1294 N PRO A 81 -3.693 -0.140 -11.285 1.00 23.23 N ATOM 1295 CA PRO A 81 -3.353 -1.243 -10.367 1.00 22.22 C ATOM 1296 C PRO A 81 -2.817 -2.500 -11.088 1.00 20.33 C ATOM 1297 O PRO A 81 -3.413 -2.982 -12.053 1.00 63.11 O ATOM 1298 CB PRO A 81 -4.696 -1.541 -9.695 1.00 14.32 C ATOM 1299 CG PRO A 81 -5.717 -1.216 -10.733 1.00 2.24 C ATOM 1300 CD PRO A 81 -5.148 -0.080 -11.554 1.00 21.03 C ATOM 0 HA PRO A 81 -2.551 -0.969 -9.682 1.00 22.22 H new ATOM 0 HB2 PRO A 81 -4.762 -2.584 -9.387 1.00 14.32 H new ATOM 0 HB3 PRO A 81 -4.834 -0.935 -8.800 1.00 14.32 H new ATOM 0 HG2 PRO A 81 -5.922 -2.083 -11.360 1.00 2.24 H new ATOM 0 HG3 PRO A 81 -6.661 -0.926 -10.271 1.00 2.24 H new ATOM 0 HD2 PRO A 81 -5.364 -0.207 -12.615 1.00 21.03 H new ATOM 0 HD3 PRO A 81 -5.570 0.879 -11.255 1.00 21.03 H new ATOM 1308 N ILE A 82 -1.691 -3.028 -10.611 1.00 74.22 N ATOM 1309 CA ILE A 82 -1.108 -4.260 -11.166 1.00 31.42 C ATOM 1310 C ILE A 82 -0.895 -5.321 -10.071 1.00 22.33 C ATOM 1311 O ILE A 82 -0.539 -4.994 -8.939 1.00 62.50 O ATOM 1312 CB ILE A 82 0.252 -3.994 -11.871 1.00 32.21 C ATOM 1313 CG1 ILE A 82 1.318 -3.557 -10.851 1.00 55.33 C ATOM 1314 CG2 ILE A 82 0.097 -2.941 -12.972 1.00 31.42 C ATOM 1315 CD1 ILE A 82 2.705 -3.399 -11.437 1.00 1.44 C ATOM 0 H ILE A 82 -1.159 -2.625 -9.840 1.00 74.22 H new ATOM 0 HA ILE A 82 -1.823 -4.630 -11.901 1.00 31.42 H new ATOM 0 HB ILE A 82 0.581 -4.925 -12.333 1.00 32.21 H new ATOM 0 HG12 ILE A 82 1.013 -2.610 -10.406 1.00 55.33 H new ATOM 0 HG13 ILE A 82 1.357 -4.290 -10.045 1.00 55.33 H new ATOM 0 HG21 ILE A 82 1.061 -2.771 -13.451 1.00 31.42 H new ATOM 0 HG22 ILE A 82 -0.620 -3.293 -13.714 1.00 31.42 H new ATOM 0 HG23 ILE A 82 -0.261 -2.008 -12.536 1.00 31.42 H new ATOM 0 HD11 ILE A 82 3.398 -3.089 -10.654 1.00 1.44 H new ATOM 0 HD12 ILE A 82 3.033 -4.350 -11.857 1.00 1.44 H new ATOM 0 HD13 ILE A 82 2.684 -2.644 -12.223 1.00 1.44 H new ATOM 1327 N ALA A 83 -1.116 -6.587 -10.410 1.00 10.20 N ATOM 1328 CA ALA A 83 -0.884 -7.692 -9.472 1.00 73.21 C ATOM 1329 C ALA A 83 0.567 -8.195 -9.564 1.00 45.44 C ATOM 1330 O ALA A 83 0.992 -8.700 -10.607 1.00 34.55 O ATOM 1331 CB ALA A 83 -1.864 -8.833 -9.747 1.00 30.33 C ATOM 0 H ALA A 83 -1.456 -6.879 -11.327 1.00 10.20 H new ATOM 0 HA ALA A 83 -1.050 -7.323 -8.460 1.00 73.21 H new ATOM 0 HB1 ALA A 83 -1.682 -9.646 -9.045 1.00 30.33 H new ATOM 0 HB2 ALA A 83 -2.886 -8.472 -9.627 1.00 30.33 H new ATOM 0 HB3 ALA A 83 -1.724 -9.195 -10.766 1.00 30.33 H new ATOM 1337 N ASP A 84 1.330 -8.043 -8.479 1.00 14.21 N ATOM 1338 CA ASP A 84 2.731 -8.481 -8.461 1.00 61.31 C ATOM 1339 C ASP A 84 2.835 -10.018 -8.348 1.00 62.12 C ATOM 1340 O ASP A 84 1.861 -10.701 -8.030 1.00 71.43 O ATOM 1341 CB ASP A 84 3.487 -7.802 -7.305 1.00 55.01 C ATOM 1342 CG ASP A 84 4.996 -7.933 -7.443 1.00 45.40 C ATOM 1343 OD1 ASP A 84 5.556 -8.964 -7.021 1.00 21.34 O ATOM 1344 OD2 ASP A 84 5.633 -7.014 -8.002 1.00 12.32 O ATOM 0 H ASP A 84 1.006 -7.624 -7.607 1.00 14.21 H new ATOM 0 HA ASP A 84 3.191 -8.184 -9.404 1.00 61.31 H new ATOM 0 HB2 ASP A 84 3.218 -6.746 -7.269 1.00 55.01 H new ATOM 0 HB3 ASP A 84 3.172 -8.243 -6.359 1.00 55.01 H new ATOM 1522 N TRP A 98 -0.745 -11.698 -2.660 1.00 23.11 N ATOM 1523 CA TRP A 98 -0.752 -10.754 -3.781 1.00 63.20 C ATOM 1524 C TRP A 98 -0.811 -9.268 -3.360 1.00 11.12 C ATOM 1525 O TRP A 98 -1.834 -8.744 -2.847 1.00 41.04 O ATOM 1526 CB TRP A 98 -1.841 -11.105 -4.811 1.00 74.34 C ATOM 1527 CG TRP A 98 -3.264 -11.072 -4.324 1.00 43.23 C ATOM 1528 CD1 TRP A 98 -3.751 -11.448 -3.103 1.00 44.33 C ATOM 1529 CD2 TRP A 98 -4.399 -10.676 -5.102 1.00 34.21 C ATOM 1530 NE1 TRP A 98 -5.117 -11.294 -3.075 1.00 54.31 N ATOM 1531 CE2 TRP A 98 -5.536 -10.822 -4.292 1.00 61.21 C ATOM 1532 CE3 TRP A 98 -4.554 -10.198 -6.409 1.00 72.13 C ATOM 1533 CZ2 TRP A 98 -6.818 -10.516 -4.750 1.00 11.43 C ATOM 1534 CZ3 TRP A 98 -5.824 -9.897 -6.861 1.00 1.33 C ATOM 1535 CH2 TRP A 98 -6.940 -10.056 -6.032 1.00 42.22 C ATOM 0 HA TRP A 98 0.218 -10.871 -4.263 1.00 63.20 H new ATOM 0 HB2 TRP A 98 -1.752 -10.415 -5.650 1.00 74.34 H new ATOM 0 HB3 TRP A 98 -1.636 -12.104 -5.197 1.00 74.34 H new ATOM 0 HD1 TRP A 98 -3.151 -11.812 -2.282 1.00 44.33 H new ATOM 0 HE1 TRP A 98 -5.720 -11.498 -2.278 1.00 54.31 H new ATOM 0 HE3 TRP A 98 -3.696 -10.067 -7.052 1.00 72.13 H new ATOM 0 HZ2 TRP A 98 -7.683 -10.638 -4.115 1.00 11.43 H new ATOM 0 HZ3 TRP A 98 -5.958 -9.534 -7.869 1.00 1.33 H new ATOM 0 HH2 TRP A 98 -7.920 -9.810 -6.413 1.00 42.22 H new ATOM 1546 N TYR A 99 0.338 -8.613 -3.562 1.00 73.11 N ATOM 1547 CA TYR A 99 0.457 -7.168 -3.449 1.00 43.53 C ATOM 1548 C TYR A 99 0.055 -6.494 -4.765 1.00 62.35 C ATOM 1549 O TYR A 99 0.730 -6.641 -5.788 1.00 72.02 O ATOM 1550 CB TYR A 99 1.889 -6.746 -3.078 1.00 71.34 C ATOM 1551 CG TYR A 99 2.314 -7.141 -1.674 1.00 73.13 C ATOM 1552 CD1 TYR A 99 2.771 -8.424 -1.393 1.00 75.03 C ATOM 1553 CD2 TYR A 99 2.249 -6.226 -0.630 1.00 65.53 C ATOM 1554 CE1 TYR A 99 3.155 -8.783 -0.114 1.00 3.45 C ATOM 1555 CE2 TYR A 99 2.633 -6.576 0.653 1.00 42.01 C ATOM 1556 CZ TYR A 99 3.085 -7.854 0.905 1.00 70.31 C ATOM 1557 OH TYR A 99 3.468 -8.208 2.181 1.00 14.04 O ATOM 0 H TYR A 99 1.211 -9.079 -3.809 1.00 73.11 H new ATOM 0 HA TYR A 99 -0.215 -6.848 -2.653 1.00 43.53 H new ATOM 0 HB2 TYR A 99 2.582 -7.189 -3.793 1.00 71.34 H new ATOM 0 HB3 TYR A 99 1.974 -5.664 -3.180 1.00 71.34 H new ATOM 0 HD1 TYR A 99 2.827 -9.153 -2.188 1.00 75.03 H new ATOM 0 HD2 TYR A 99 1.893 -5.225 -0.823 1.00 65.53 H new ATOM 0 HE1 TYR A 99 3.508 -9.784 0.087 1.00 3.45 H new ATOM 0 HE2 TYR A 99 2.579 -5.852 1.452 1.00 42.01 H new ATOM 0 HH TYR A 99 3.359 -7.440 2.780 1.00 14.04 H new ATOM 1567 N ILE A 100 -1.049 -5.766 -4.737 1.00 30.30 N ATOM 1568 CA ILE A 100 -1.514 -5.038 -5.914 1.00 62.51 C ATOM 1569 C ILE A 100 -0.917 -3.624 -5.917 1.00 51.11 C ATOM 1570 O ILE A 100 -1.326 -2.757 -5.149 1.00 12.45 O ATOM 1571 CB ILE A 100 -3.067 -4.976 -5.961 1.00 23.21 C ATOM 1572 CG1 ILE A 100 -3.650 -6.392 -5.791 1.00 11.10 C ATOM 1573 CG2 ILE A 100 -3.549 -4.351 -7.273 1.00 52.02 C ATOM 1574 CD1 ILE A 100 -5.162 -6.448 -5.860 1.00 42.14 C ATOM 0 H ILE A 100 -1.642 -5.661 -3.914 1.00 30.30 H new ATOM 0 HA ILE A 100 -1.179 -5.570 -6.804 1.00 62.51 H new ATOM 0 HB ILE A 100 -3.416 -4.347 -5.142 1.00 23.21 H new ATOM 0 HG12 ILE A 100 -3.237 -7.039 -6.565 1.00 11.10 H new ATOM 0 HG13 ILE A 100 -3.325 -6.795 -4.832 1.00 11.10 H new ATOM 0 HG21 ILE A 100 -4.638 -4.319 -7.282 1.00 52.02 H new ATOM 0 HG22 ILE A 100 -3.155 -3.338 -7.360 1.00 52.02 H new ATOM 0 HG23 ILE A 100 -3.197 -4.950 -8.113 1.00 52.02 H new ATOM 0 HD11 ILE A 100 -5.494 -7.478 -5.732 1.00 42.14 H new ATOM 0 HD12 ILE A 100 -5.585 -5.829 -5.069 1.00 42.14 H new ATOM 0 HD13 ILE A 100 -5.496 -6.077 -6.829 1.00 42.14 H new ATOM 1586 N LYS A 101 0.079 -3.416 -6.770 1.00 23.34 N ATOM 1587 CA LYS A 101 0.823 -2.154 -6.807 1.00 43.31 C ATOM 1588 C LYS A 101 0.121 -1.110 -7.683 1.00 53.25 C ATOM 1589 O LYS A 101 -0.265 -1.394 -8.819 1.00 12.52 O ATOM 1590 CB LYS A 101 2.251 -2.409 -7.306 1.00 0.25 C ATOM 1591 CG LYS A 101 3.030 -3.362 -6.405 1.00 4.41 C ATOM 1592 CD LYS A 101 4.434 -3.652 -6.926 1.00 4.12 C ATOM 1593 CE LYS A 101 5.233 -4.487 -5.929 1.00 2.11 C ATOM 1594 NZ LYS A 101 6.575 -4.860 -6.450 1.00 55.41 N ATOM 0 H LYS A 101 0.395 -4.107 -7.451 1.00 23.34 H new ATOM 0 HA LYS A 101 0.863 -1.752 -5.795 1.00 43.31 H new ATOM 0 HB2 LYS A 101 2.211 -2.821 -8.314 1.00 0.25 H new ATOM 0 HB3 LYS A 101 2.784 -1.460 -7.370 1.00 0.25 H new ATOM 0 HG2 LYS A 101 3.100 -2.934 -5.405 1.00 4.41 H new ATOM 0 HG3 LYS A 101 2.481 -4.299 -6.313 1.00 4.41 H new ATOM 0 HD2 LYS A 101 4.369 -4.180 -7.877 1.00 4.12 H new ATOM 0 HD3 LYS A 101 4.954 -2.714 -7.117 1.00 4.12 H new ATOM 0 HE2 LYS A 101 5.349 -3.927 -5.001 1.00 2.11 H new ATOM 0 HE3 LYS A 101 4.675 -5.392 -5.688 1.00 2.11 H new ATOM 0 HZ1 LYS A 101 7.196 -5.117 -5.657 1.00 55.41 H new ATOM 0 HZ2 LYS A 101 6.484 -5.671 -7.095 1.00 55.41 H new ATOM 0 HZ3 LYS A 101 6.984 -4.054 -6.963 1.00 55.41 H new ATOM 1608 N ALA A 102 -0.033 0.100 -7.158 1.00 51.41 N ATOM 1609 CA ALA A 102 -0.745 1.166 -7.871 1.00 3.40 C ATOM 1610 C ALA A 102 0.058 2.471 -7.913 1.00 3.11 C ATOM 1611 O ALA A 102 0.917 2.718 -7.067 1.00 31.35 O ATOM 1612 CB ALA A 102 -2.109 1.406 -7.234 1.00 73.50 C ATOM 0 H ALA A 102 0.324 0.372 -6.242 1.00 51.41 H new ATOM 0 HA ALA A 102 -0.879 0.835 -8.901 1.00 3.40 H new ATOM 0 HB1 ALA A 102 -2.627 2.199 -7.772 1.00 73.50 H new ATOM 0 HB2 ALA A 102 -2.699 0.490 -7.281 1.00 73.50 H new ATOM 0 HB3 ALA A 102 -1.978 1.700 -6.193 1.00 73.50 H new ATOM 1618 N ASP A 103 -0.234 3.297 -8.913 1.00 65.13 N ATOM 1619 CA ASP A 103 0.393 4.610 -9.057 1.00 23.42 C ATOM 1620 C ASP A 103 -0.072 5.569 -7.940 1.00 15.14 C ATOM 1621 O ASP A 103 0.717 6.350 -7.401 1.00 22.31 O ATOM 1622 CB ASP A 103 0.051 5.174 -10.444 1.00 33.43 C ATOM 1623 CG ASP A 103 0.621 6.559 -10.693 1.00 1.14 C ATOM 1624 OD1 ASP A 103 1.832 6.762 -10.479 1.00 63.55 O ATOM 1625 OD2 ASP A 103 -0.143 7.449 -11.114 1.00 4.23 O ATOM 0 H ASP A 103 -0.910 3.078 -9.645 1.00 65.13 H new ATOM 0 HA ASP A 103 1.474 4.507 -8.965 1.00 23.42 H new ATOM 0 HB2 ASP A 103 0.427 4.493 -11.207 1.00 33.43 H new ATOM 0 HB3 ASP A 103 -1.033 5.211 -10.555 1.00 33.43 H new ATOM 1630 N ASP A 104 -1.358 5.487 -7.596 1.00 54.44 N ATOM 1631 CA ASP A 104 -1.941 6.311 -6.527 1.00 21.25 C ATOM 1632 C ASP A 104 -3.307 5.760 -6.073 1.00 11.33 C ATOM 1633 O ASP A 104 -3.939 4.972 -6.781 1.00 20.22 O ATOM 1634 CB ASP A 104 -2.082 7.768 -7.000 1.00 74.10 C ATOM 1635 CG ASP A 104 -2.629 8.699 -5.925 1.00 23.40 C ATOM 1636 OD1 ASP A 104 -2.092 8.692 -4.796 1.00 55.04 O ATOM 1637 OD2 ASP A 104 -3.595 9.434 -6.199 1.00 44.21 O ATOM 0 H ASP A 104 -2.022 4.855 -8.043 1.00 54.44 H new ATOM 0 HA ASP A 104 -1.268 6.277 -5.670 1.00 21.25 H new ATOM 0 HB2 ASP A 104 -1.108 8.133 -7.326 1.00 74.10 H new ATOM 0 HB3 ASP A 104 -2.741 7.799 -7.868 1.00 74.10 H new ATOM 1642 N ILE A 105 -3.753 6.184 -4.890 1.00 0.34 N ATOM 1643 CA ILE A 105 -5.024 5.723 -4.313 1.00 35.20 C ATOM 1644 C ILE A 105 -5.998 6.898 -4.109 1.00 24.42 C ATOM 1645 O ILE A 105 -5.733 7.800 -3.312 1.00 12.42 O ATOM 1646 CB ILE A 105 -4.802 5.017 -2.951 1.00 2.42 C ATOM 1647 CG1 ILE A 105 -3.741 3.909 -3.083 1.00 63.24 C ATOM 1648 CG2 ILE A 105 -6.118 4.447 -2.412 1.00 74.22 C ATOM 1649 CD1 ILE A 105 -3.466 3.159 -1.792 1.00 22.11 C ATOM 0 H ILE A 105 -3.250 6.852 -4.305 1.00 0.34 H new ATOM 0 HA ILE A 105 -5.453 5.013 -5.020 1.00 35.20 H new ATOM 0 HB ILE A 105 -4.438 5.757 -2.238 1.00 2.42 H new ATOM 0 HG12 ILE A 105 -4.066 3.198 -3.842 1.00 63.24 H new ATOM 0 HG13 ILE A 105 -2.811 4.352 -3.439 1.00 63.24 H new ATOM 0 HG21 ILE A 105 -5.937 3.956 -1.456 1.00 74.22 H new ATOM 0 HG22 ILE A 105 -6.836 5.256 -2.275 1.00 74.22 H new ATOM 0 HG23 ILE A 105 -6.518 3.723 -3.121 1.00 74.22 H new ATOM 0 HD11 ILE A 105 -2.708 2.396 -1.969 1.00 22.11 H new ATOM 0 HD12 ILE A 105 -3.109 3.857 -1.035 1.00 22.11 H new ATOM 0 HD13 ILE A 105 -4.384 2.685 -1.444 1.00 22.11 H new ATOM 1661 N VAL A 106 -7.124 6.878 -4.819 1.00 71.12 N ATOM 1662 CA VAL A 106 -8.123 7.959 -4.740 1.00 24.13 C ATOM 1663 C VAL A 106 -9.517 7.419 -4.382 1.00 73.21 C ATOM 1664 O VAL A 106 -9.738 6.211 -4.369 1.00 45.10 O ATOM 1665 CB VAL A 106 -8.210 8.738 -6.080 1.00 23.22 C ATOM 1666 CG1 VAL A 106 -6.878 9.403 -6.415 1.00 41.43 C ATOM 1667 CG2 VAL A 106 -8.656 7.816 -7.216 1.00 51.50 C ATOM 0 H VAL A 106 -7.374 6.125 -5.460 1.00 71.12 H new ATOM 0 HA VAL A 106 -7.793 8.633 -3.949 1.00 24.13 H new ATOM 0 HB VAL A 106 -8.958 9.523 -5.964 1.00 23.22 H new ATOM 0 HG11 VAL A 106 -6.967 9.942 -7.358 1.00 41.43 H new ATOM 0 HG12 VAL A 106 -6.611 10.102 -5.622 1.00 41.43 H new ATOM 0 HG13 VAL A 106 -6.103 8.641 -6.504 1.00 41.43 H new ATOM 0 HG21 VAL A 106 -8.710 8.383 -8.145 1.00 51.50 H new ATOM 0 HG22 VAL A 106 -7.938 7.003 -7.328 1.00 51.50 H new ATOM 0 HG23 VAL A 106 -9.638 7.403 -6.985 1.00 51.50 H new ATOM 1677 N LEU A 107 -10.457 8.319 -4.092 1.00 30.15 N ATOM 1678 CA LEU A 107 -11.848 7.927 -3.823 1.00 42.44 C ATOM 1679 C LEU A 107 -12.552 7.482 -5.114 1.00 74.34 C ATOM 1680 O LEU A 107 -12.370 8.093 -6.170 1.00 61.04 O ATOM 1681 CB LEU A 107 -12.622 9.090 -3.182 1.00 75.31 C ATOM 1682 CG LEU A 107 -12.146 9.510 -1.779 1.00 50.02 C ATOM 1683 CD1 LEU A 107 -12.918 10.734 -1.292 1.00 40.30 C ATOM 1684 CD2 LEU A 107 -12.297 8.355 -0.787 1.00 32.41 C ATOM 0 H LEU A 107 -10.285 9.323 -4.037 1.00 30.15 H new ATOM 0 HA LEU A 107 -11.830 7.087 -3.129 1.00 42.44 H new ATOM 0 HB2 LEU A 107 -12.557 9.955 -3.843 1.00 75.31 H new ATOM 0 HB3 LEU A 107 -13.675 8.813 -3.122 1.00 75.31 H new ATOM 0 HG LEU A 107 -11.090 9.771 -1.844 1.00 50.02 H new ATOM 0 HD11 LEU A 107 -12.567 11.014 -0.299 1.00 40.30 H new ATOM 0 HD12 LEU A 107 -12.758 11.563 -1.981 1.00 40.30 H new ATOM 0 HD13 LEU A 107 -13.982 10.499 -1.248 1.00 40.30 H new ATOM 0 HD21 LEU A 107 -11.955 8.674 0.198 1.00 32.41 H new ATOM 0 HD22 LEU A 107 -13.345 8.060 -0.729 1.00 32.41 H new ATOM 0 HD23 LEU A 107 -11.699 7.507 -1.122 1.00 32.41 H new ATOM 1696 N THR A 108 -13.348 6.418 -5.023 1.00 43.23 N ATOM 1697 CA THR A 108 -14.086 5.894 -6.181 1.00 44.30 C ATOM 1698 C THR A 108 -15.003 6.955 -6.796 1.00 24.52 C ATOM 1699 O THR A 108 -15.838 7.543 -6.103 1.00 50.55 O ATOM 1700 CB THR A 108 -14.953 4.663 -5.805 1.00 43.22 C ATOM 1701 OG1 THR A 108 -14.142 3.644 -5.212 1.00 3.12 O ATOM 1702 CG2 THR A 108 -15.666 4.084 -7.026 1.00 35.52 C ATOM 0 H THR A 108 -13.501 5.898 -4.159 1.00 43.23 H new ATOM 0 HA THR A 108 -13.329 5.598 -6.907 1.00 44.30 H new ATOM 0 HB THR A 108 -15.703 5.002 -5.091 1.00 43.22 H new ATOM 0 HG1 THR A 108 -14.702 2.875 -4.979 1.00 3.12 H new ATOM 0 HG21 THR A 108 -16.263 3.224 -6.724 1.00 35.52 H new ATOM 0 HG22 THR A 108 -16.316 4.843 -7.461 1.00 35.52 H new ATOM 0 HG23 THR A 108 -14.928 3.772 -7.765 1.00 35.52 H new