USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 721 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0107) USER MOD Single : A 22 LYS NZ :NH3+ -142:sc= -1.06 (180deg=-3.24!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN :FLIP amide:sc= 0 F(o=-0.84,f=0) USER MOD Single : A 30 SER OG : rot -11:sc= 0.691 USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= -0.104 (180deg=-0.474) USER MOD Single : A 38 THR OG1 : rot -141:sc= 0.169 USER MOD Single : A 43 SER OG : rot -150:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 163:sc= 0.384 (180deg=0.169) USER MOD Single : A 49 TYR OH : rot 108:sc= 0.0278 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -169:sc= -0.219 (180deg=-0.298) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 61 TYR OH : rot 51:sc= -0.243 USER MOD Single : A 63 SER OG : rot 74:sc= 0.146 USER MOD Single : A 66 ASN : amide:sc= 0.209 X(o=0.21,f=-0.1) USER MOD Single : A 73 TYR OH : rot 27:sc= 0.4 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot -83:sc= 0.372 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.761 K(o=-0.76,f=-3.7!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -98:sc= -0.0738 USER MOD Single : A 88 LYS NZ :NH3+ -102:sc= 0.236 (180deg=-0.0918) USER MOD Single : A 91 ASN : amide:sc= -0.22 X(o=-0.22,f=0) USER MOD Single : A 92 SER OG : rot 175:sc= -0.0744 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0546) USER MOD Single : A 97 GLN : amide:sc= 0.172 X(o=0.17,f=-0.12) USER MOD Single : A 99 GLN : amide:sc= -0.508 X(o=-0.51,f=-0.39) USER MOD Single : A 102 SER OG : rot 63:sc= -1.21! USER MOD Single : A 104 ASN : amide:sc= 0.593 K(o=0.59,f=0) USER MOD ----------------------------------------------------------------- ATOM 322 N ASP A 20 -10.267 -12.594 -6.489 1.00 13.42 N ATOM 323 CA ASP A 20 -10.916 -11.272 -6.637 1.00 40.31 C ATOM 324 C ASP A 20 -11.468 -10.714 -5.296 1.00 23.50 C ATOM 325 O ASP A 20 -11.524 -9.500 -5.126 1.00 53.14 O ATOM 326 CB ASP A 20 -12.039 -11.364 -7.689 1.00 55.01 C ATOM 327 CG ASP A 20 -11.500 -11.778 -9.064 1.00 40.14 C ATOM 328 OD1 ASP A 20 -10.794 -10.964 -9.700 1.00 22.51 O ATOM 329 OD2 ASP A 20 -11.746 -12.921 -9.496 1.00 33.12 O ATOM 0 HA ASP A 20 -10.152 -10.569 -6.969 1.00 40.31 H new ATOM 0 HB2 ASP A 20 -12.787 -12.085 -7.360 1.00 55.01 H new ATOM 0 HB3 ASP A 20 -12.540 -10.400 -7.771 1.00 55.01 H new ATOM 334 N LYS A 21 -11.884 -11.597 -4.356 1.00 41.21 N ATOM 335 CA LYS A 21 -12.297 -11.168 -2.990 1.00 13.51 C ATOM 336 C LYS A 21 -11.091 -10.721 -2.138 1.00 13.32 C ATOM 337 O LYS A 21 -11.258 -9.902 -1.233 1.00 35.04 O ATOM 338 CB LYS A 21 -13.129 -12.260 -2.244 1.00 70.14 C ATOM 339 CG LYS A 21 -14.649 -12.170 -2.503 1.00 2.23 C ATOM 340 CD LYS A 21 -15.474 -13.095 -1.573 1.00 55.21 C ATOM 341 CE LYS A 21 -16.988 -12.848 -1.682 1.00 44.55 C ATOM 342 NZ LYS A 21 -17.493 -12.989 -3.071 1.00 44.24 N ATOM 0 H LYS A 21 -11.944 -12.603 -4.513 1.00 41.21 H new ATOM 0 HA LYS A 21 -12.948 -10.305 -3.130 1.00 13.51 H new ATOM 0 HB2 LYS A 21 -12.775 -13.245 -2.549 1.00 70.14 H new ATOM 0 HB3 LYS A 21 -12.947 -12.174 -1.173 1.00 70.14 H new ATOM 0 HG2 LYS A 21 -14.976 -11.139 -2.365 1.00 2.23 H new ATOM 0 HG3 LYS A 21 -14.852 -12.432 -3.541 1.00 2.23 H new ATOM 0 HD2 LYS A 21 -15.261 -14.135 -1.820 1.00 55.21 H new ATOM 0 HD3 LYS A 21 -15.158 -12.941 -0.541 1.00 55.21 H new ATOM 0 HE2 LYS A 21 -17.514 -13.550 -1.035 1.00 44.55 H new ATOM 0 HE3 LYS A 21 -17.216 -11.847 -1.317 1.00 44.55 H new ATOM 0 HZ1 LYS A 21 -18.525 -12.863 -3.080 1.00 44.24 H new ATOM 0 HZ2 LYS A 21 -17.051 -12.268 -3.676 1.00 44.24 H new ATOM 0 HZ3 LYS A 21 -17.257 -13.936 -3.432 1.00 44.24 H new ATOM 356 N LYS A 22 -9.889 -11.268 -2.417 1.00 72.41 N ATOM 357 CA LYS A 22 -8.639 -10.772 -1.796 1.00 54.30 C ATOM 358 C LYS A 22 -8.314 -9.360 -2.325 1.00 64.41 C ATOM 359 O LYS A 22 -8.074 -8.443 -1.549 1.00 13.21 O ATOM 360 CB LYS A 22 -7.437 -11.710 -2.069 1.00 52.04 C ATOM 361 CG LYS A 22 -6.119 -11.237 -1.402 1.00 22.51 C ATOM 362 CD LYS A 22 -4.905 -12.105 -1.786 1.00 52.41 C ATOM 363 CE LYS A 22 -3.667 -11.820 -0.914 1.00 42.00 C ATOM 364 NZ LYS A 22 -2.593 -12.825 -1.119 1.00 4.01 N ATOM 0 H LYS A 22 -9.756 -12.047 -3.062 1.00 72.41 H new ATOM 0 HA LYS A 22 -8.803 -10.743 -0.719 1.00 54.30 H new ATOM 0 HB2 LYS A 22 -7.678 -12.710 -1.710 1.00 52.04 H new ATOM 0 HB3 LYS A 22 -7.283 -11.786 -3.145 1.00 52.04 H new ATOM 0 HG2 LYS A 22 -5.924 -10.203 -1.687 1.00 22.51 H new ATOM 0 HG3 LYS A 22 -6.241 -11.251 -0.319 1.00 22.51 H new ATOM 0 HD2 LYS A 22 -5.173 -13.158 -1.695 1.00 52.41 H new ATOM 0 HD3 LYS A 22 -4.655 -11.929 -2.832 1.00 52.41 H new ATOM 0 HE2 LYS A 22 -3.282 -10.827 -1.146 1.00 42.00 H new ATOM 0 HE3 LYS A 22 -3.959 -11.811 0.136 1.00 42.00 H new ATOM 0 HZ1 LYS A 22 -2.133 -13.031 -0.210 1.00 4.01 H new ATOM 0 HZ2 LYS A 22 -3.004 -13.699 -1.505 1.00 4.01 H new ATOM 0 HZ3 LYS A 22 -1.889 -12.450 -1.786 1.00 4.01 H new ATOM 378 N ARG A 23 -8.321 -9.213 -3.666 1.00 11.40 N ATOM 379 CA ARG A 23 -8.085 -7.919 -4.352 1.00 15.41 C ATOM 380 C ARG A 23 -9.089 -6.828 -3.880 1.00 23.13 C ATOM 381 O ARG A 23 -8.704 -5.686 -3.617 1.00 72.23 O ATOM 382 CB ARG A 23 -8.164 -8.146 -5.886 1.00 12.33 C ATOM 383 CG ARG A 23 -7.926 -6.889 -6.756 1.00 74.30 C ATOM 384 CD ARG A 23 -7.883 -7.204 -8.271 1.00 3.11 C ATOM 385 NE ARG A 23 -9.107 -7.884 -8.753 1.00 22.01 N ATOM 386 CZ ARG A 23 -10.197 -7.286 -9.194 1.00 54.32 C ATOM 387 NH1 ARG A 23 -10.309 -5.988 -9.188 1.00 64.21 N ATOM 388 NH2 ARG A 23 -11.177 -7.997 -9.635 1.00 31.31 N ATOM 0 H ARG A 23 -8.490 -9.988 -4.308 1.00 11.40 H new ATOM 0 HA ARG A 23 -7.092 -7.551 -4.094 1.00 15.41 H new ATOM 0 HB2 ARG A 23 -7.430 -8.903 -6.162 1.00 12.33 H new ATOM 0 HB3 ARG A 23 -9.147 -8.552 -6.126 1.00 12.33 H new ATOM 0 HG2 ARG A 23 -8.717 -6.165 -6.563 1.00 74.30 H new ATOM 0 HG3 ARG A 23 -6.987 -6.421 -6.461 1.00 74.30 H new ATOM 0 HD2 ARG A 23 -7.746 -6.276 -8.826 1.00 3.11 H new ATOM 0 HD3 ARG A 23 -7.017 -7.832 -8.482 1.00 3.11 H new ATOM 0 HE ARG A 23 -9.107 -8.904 -8.743 1.00 22.01 H new ATOM 0 HH11 ARG A 23 -9.544 -5.412 -8.837 1.00 64.21 H new ATOM 0 HH12 ARG A 23 -11.162 -5.548 -9.534 1.00 64.21 H new ATOM 0 HH21 ARG A 23 -11.106 -9.015 -9.641 1.00 31.31 H new ATOM 0 HH22 ARG A 23 -12.023 -7.542 -9.978 1.00 31.31 H new ATOM 402 N ALA A 24 -10.370 -7.223 -3.742 1.00 62.21 N ATOM 403 CA ALA A 24 -11.448 -6.348 -3.211 1.00 11.51 C ATOM 404 C ALA A 24 -11.210 -5.983 -1.722 1.00 40.25 C ATOM 405 O ALA A 24 -11.473 -4.851 -1.306 1.00 65.20 O ATOM 406 CB ALA A 24 -12.818 -7.026 -3.382 1.00 14.35 C ATOM 0 H ALA A 24 -10.692 -8.157 -3.994 1.00 62.21 H new ATOM 0 HA ALA A 24 -11.434 -5.421 -3.784 1.00 11.51 H new ATOM 0 HB1 ALA A 24 -13.598 -6.374 -2.989 1.00 14.35 H new ATOM 0 HB2 ALA A 24 -13.001 -7.214 -4.440 1.00 14.35 H new ATOM 0 HB3 ALA A 24 -12.827 -7.971 -2.839 1.00 14.35 H new ATOM 412 N ARG A 25 -10.725 -6.969 -0.935 1.00 13.05 N ATOM 413 CA ARG A 25 -10.338 -6.781 0.491 1.00 54.21 C ATOM 414 C ARG A 25 -9.205 -5.742 0.636 1.00 32.22 C ATOM 415 O ARG A 25 -9.226 -4.917 1.545 1.00 23.33 O ATOM 416 CB ARG A 25 -9.868 -8.137 1.102 1.00 62.14 C ATOM 417 CG ARG A 25 -9.319 -8.064 2.555 1.00 20.31 C ATOM 418 CD ARG A 25 -8.555 -9.341 2.968 1.00 2.53 C ATOM 419 NE ARG A 25 -9.414 -10.541 2.927 1.00 64.02 N ATOM 420 CZ ARG A 25 -9.101 -11.709 2.396 1.00 42.45 C ATOM 421 NH1 ARG A 25 -7.972 -11.903 1.780 1.00 41.31 N ATOM 422 NH2 ARG A 25 -9.943 -12.674 2.478 1.00 32.10 N ATOM 0 H ARG A 25 -10.588 -7.924 -1.268 1.00 13.05 H new ATOM 0 HA ARG A 25 -11.215 -6.416 1.025 1.00 54.21 H new ATOM 0 HB2 ARG A 25 -10.706 -8.833 1.084 1.00 62.14 H new ATOM 0 HB3 ARG A 25 -9.093 -8.555 0.460 1.00 62.14 H new ATOM 0 HG2 ARG A 25 -8.656 -7.204 2.646 1.00 20.31 H new ATOM 0 HG3 ARG A 25 -10.148 -7.902 3.244 1.00 20.31 H new ATOM 0 HD2 ARG A 25 -7.702 -9.483 2.304 1.00 2.53 H new ATOM 0 HD3 ARG A 25 -8.157 -9.215 3.975 1.00 2.53 H new ATOM 0 HE ARG A 25 -10.339 -10.460 3.350 1.00 64.02 H new ATOM 0 HH11 ARG A 25 -7.299 -11.141 1.697 1.00 41.31 H new ATOM 0 HH12 ARG A 25 -7.760 -12.817 1.380 1.00 41.31 H new ATOM 0 HH21 ARG A 25 -10.837 -12.532 2.948 1.00 32.10 H new ATOM 0 HH22 ARG A 25 -9.718 -13.583 2.074 1.00 32.10 H new ATOM 436 N LEU A 26 -8.217 -5.799 -0.270 1.00 51.21 N ATOM 437 CA LEU A 26 -7.018 -4.939 -0.208 1.00 0.14 C ATOM 438 C LEU A 26 -7.343 -3.469 -0.553 1.00 35.22 C ATOM 439 O LEU A 26 -6.876 -2.545 0.126 1.00 33.43 O ATOM 440 CB LEU A 26 -5.916 -5.489 -1.141 1.00 13.34 C ATOM 441 CG LEU A 26 -5.419 -6.939 -0.840 1.00 2.30 C ATOM 442 CD1 LEU A 26 -4.277 -7.337 -1.779 1.00 12.35 C ATOM 443 CD2 LEU A 26 -5.019 -7.090 0.638 1.00 23.03 C ATOM 0 H LEU A 26 -8.223 -6.439 -1.064 1.00 51.21 H new ATOM 0 HA LEU A 26 -6.653 -4.955 0.819 1.00 0.14 H new ATOM 0 HB2 LEU A 26 -6.288 -5.460 -2.165 1.00 13.34 H new ATOM 0 HB3 LEU A 26 -5.060 -4.816 -1.094 1.00 13.34 H new ATOM 0 HG LEU A 26 -6.246 -7.625 -1.026 1.00 2.30 H new ATOM 0 HD11 LEU A 26 -3.951 -8.351 -1.546 1.00 12.35 H new ATOM 0 HD12 LEU A 26 -4.624 -7.295 -2.812 1.00 12.35 H new ATOM 0 HD13 LEU A 26 -3.442 -6.649 -1.648 1.00 12.35 H new ATOM 0 HD21 LEU A 26 -4.677 -8.109 0.820 1.00 23.03 H new ATOM 0 HD22 LEU A 26 -4.216 -6.391 0.871 1.00 23.03 H new ATOM 0 HD23 LEU A 26 -5.880 -6.878 1.272 1.00 23.03 H new ATOM 455 N ILE A 27 -8.146 -3.269 -1.614 1.00 43.12 N ATOM 456 CA ILE A 27 -8.701 -1.940 -1.968 1.00 23.51 C ATOM 457 C ILE A 27 -9.636 -1.405 -0.830 1.00 42.23 C ATOM 458 O ILE A 27 -9.736 -0.205 -0.613 1.00 45.21 O ATOM 459 CB ILE A 27 -9.461 -1.988 -3.355 1.00 72.31 C ATOM 460 CG1 ILE A 27 -8.536 -2.582 -4.474 1.00 65.30 C ATOM 461 CG2 ILE A 27 -9.979 -0.582 -3.770 1.00 33.32 C ATOM 462 CD1 ILE A 27 -9.190 -2.814 -5.829 1.00 70.21 C ATOM 0 H ILE A 27 -8.430 -4.015 -2.249 1.00 43.12 H new ATOM 0 HA ILE A 27 -7.867 -1.246 -2.073 1.00 23.51 H new ATOM 0 HB ILE A 27 -10.326 -2.640 -3.233 1.00 72.31 H new ATOM 0 HG12 ILE A 27 -7.689 -1.910 -4.612 1.00 65.30 H new ATOM 0 HG13 ILE A 27 -8.135 -3.531 -4.119 1.00 65.30 H new ATOM 0 HG21 ILE A 27 -10.496 -0.653 -4.727 1.00 33.32 H new ATOM 0 HG22 ILE A 27 -10.668 -0.210 -3.012 1.00 33.32 H new ATOM 0 HG23 ILE A 27 -9.137 0.104 -3.862 1.00 33.32 H new ATOM 0 HD11 ILE A 27 -8.456 -3.226 -6.522 1.00 70.21 H new ATOM 0 HD12 ILE A 27 -10.018 -3.515 -5.718 1.00 70.21 H new ATOM 0 HD13 ILE A 27 -9.565 -1.868 -6.219 1.00 70.21 H new ATOM 474 N TYR A 28 -10.281 -2.324 -0.090 1.00 53.33 N ATOM 475 CA TYR A 28 -11.127 -1.992 1.091 1.00 11.33 C ATOM 476 C TYR A 28 -10.277 -1.571 2.333 1.00 44.20 C ATOM 477 O TYR A 28 -10.639 -0.638 3.056 1.00 72.33 O ATOM 478 CB TYR A 28 -12.029 -3.213 1.415 1.00 70.33 C ATOM 479 CG TYR A 28 -12.862 -3.115 2.703 1.00 4.04 C ATOM 480 CD1 TYR A 28 -13.971 -2.266 2.791 1.00 45.42 C ATOM 481 CD2 TYR A 28 -12.542 -3.891 3.825 1.00 54.43 C ATOM 482 CE1 TYR A 28 -14.722 -2.196 3.953 1.00 55.35 C ATOM 483 CE2 TYR A 28 -13.290 -3.823 4.982 1.00 75.31 C ATOM 484 CZ TYR A 28 -14.380 -2.979 5.043 1.00 13.44 C ATOM 485 OH TYR A 28 -15.121 -2.908 6.206 1.00 4.32 O ATOM 0 H TYR A 28 -10.236 -3.324 -0.287 1.00 53.33 H new ATOM 0 HA TYR A 28 -11.746 -1.129 0.845 1.00 11.33 H new ATOM 0 HB2 TYR A 28 -12.709 -3.369 0.578 1.00 70.33 H new ATOM 0 HB3 TYR A 28 -11.397 -4.099 1.482 1.00 70.33 H new ATOM 0 HD1 TYR A 28 -14.245 -1.657 1.942 1.00 45.42 H new ATOM 0 HD2 TYR A 28 -11.692 -4.556 3.783 1.00 54.43 H new ATOM 0 HE1 TYR A 28 -15.572 -1.532 4.009 1.00 55.35 H new ATOM 0 HE2 TYR A 28 -13.024 -4.428 5.836 1.00 75.31 H new ATOM 0 HH TYR A 28 -14.746 -3.523 6.871 1.00 4.32 H new ATOM 495 N GLN A 29 -9.145 -2.261 2.561 1.00 64.40 N ATOM 496 CA GLN A 29 -8.237 -1.985 3.713 1.00 21.15 C ATOM 497 C GLN A 29 -7.377 -0.714 3.477 1.00 63.45 C ATOM 498 O GLN A 29 -6.759 -0.188 4.409 1.00 35.35 O ATOM 499 CB GLN A 29 -7.330 -3.216 3.986 1.00 64.52 C ATOM 500 CG GLN A 29 -8.080 -4.481 4.467 1.00 41.51 C ATOM 501 CD GLN A 29 -7.193 -5.729 4.645 1.00 12.30 C ATOM 502 OE1 GLN A 29 -6.197 -5.909 3.794 1.00 33.23 O flip ATOM 503 NE2 GLN A 29 -7.440 -6.560 5.516 1.00 62.41 N flip ATOM 0 H GLN A 29 -8.826 -3.023 1.962 1.00 64.40 H new ATOM 0 HA GLN A 29 -8.857 -1.799 4.590 1.00 21.15 H new ATOM 0 HB2 GLN A 29 -6.786 -3.458 3.073 1.00 64.52 H new ATOM 0 HB3 GLN A 29 -6.588 -2.943 4.736 1.00 64.52 H new ATOM 0 HG2 GLN A 29 -8.566 -4.259 5.417 1.00 41.51 H new ATOM 0 HG3 GLN A 29 -8.869 -4.712 3.752 1.00 41.51 H new ATOM 0 HE21 GLN A 29 -8.212 -6.405 6.164 1.00 62.41 H new ATOM 0 HE22 GLN A 29 -6.873 -7.404 5.591 1.00 62.41 H new ATOM 512 N SER A 30 -7.334 -0.247 2.220 1.00 32.21 N ATOM 513 CA SER A 30 -6.726 1.054 1.852 1.00 54.24 C ATOM 514 C SER A 30 -7.751 2.206 1.984 1.00 1.31 C ATOM 515 O SER A 30 -7.370 3.377 2.018 1.00 25.42 O ATOM 516 CB SER A 30 -6.170 0.990 0.417 1.00 55.51 C ATOM 517 OG SER A 30 -7.181 0.741 -0.534 1.00 35.10 O ATOM 0 H SER A 30 -7.719 -0.757 1.424 1.00 32.21 H new ATOM 0 HA SER A 30 -5.906 1.255 2.541 1.00 54.24 H new ATOM 0 HB2 SER A 30 -5.673 1.931 0.179 1.00 55.51 H new ATOM 0 HB3 SER A 30 -5.415 0.206 0.356 1.00 55.51 H new ATOM 0 HG SER A 30 -8.008 0.488 -0.073 1.00 35.10 H new ATOM 523 N ARG A 31 -9.055 1.855 2.028 1.00 74.01 N ATOM 524 CA ARG A 31 -10.145 2.809 2.343 1.00 44.11 C ATOM 525 C ARG A 31 -10.342 2.952 3.871 1.00 22.02 C ATOM 526 O ARG A 31 -10.920 3.936 4.332 1.00 34.41 O ATOM 527 CB ARG A 31 -11.464 2.308 1.694 1.00 1.55 C ATOM 528 CG ARG A 31 -11.450 2.227 0.144 1.00 24.15 C ATOM 529 CD ARG A 31 -12.013 3.478 -0.550 1.00 2.34 C ATOM 530 NE ARG A 31 -11.301 4.726 -0.196 1.00 53.44 N ATOM 531 CZ ARG A 31 -11.637 5.930 -0.597 1.00 11.22 C ATOM 532 NH1 ARG A 31 -12.638 6.125 -1.397 1.00 54.40 N ATOM 533 NH2 ARG A 31 -10.964 6.938 -0.192 1.00 54.12 N ATOM 0 H ARG A 31 -9.382 0.906 1.847 1.00 74.01 H new ATOM 0 HA ARG A 31 -9.875 3.787 1.943 1.00 44.11 H new ATOM 0 HB2 ARG A 31 -11.693 1.319 2.091 1.00 1.55 H new ATOM 0 HB3 ARG A 31 -12.275 2.970 2.000 1.00 1.55 H new ATOM 0 HG2 ARG A 31 -10.426 2.067 -0.192 1.00 24.15 H new ATOM 0 HG3 ARG A 31 -12.028 1.358 -0.170 1.00 24.15 H new ATOM 0 HD2 ARG A 31 -11.965 3.336 -1.630 1.00 2.34 H new ATOM 0 HD3 ARG A 31 -13.066 3.584 -0.289 1.00 2.34 H new ATOM 0 HE ARG A 31 -10.483 4.644 0.408 1.00 53.44 H new ATOM 0 HH11 ARG A 31 -13.186 5.332 -1.730 1.00 54.40 H new ATOM 0 HH12 ARG A 31 -12.877 7.071 -1.693 1.00 54.40 H new ATOM 0 HH21 ARG A 31 -10.173 6.803 0.438 1.00 54.12 H new ATOM 0 HH22 ARG A 31 -11.218 7.877 -0.498 1.00 54.12 H new ATOM 547 N LYS A 32 -9.875 1.953 4.655 1.00 35.03 N ATOM 548 CA LYS A 32 -9.829 2.049 6.136 1.00 72.24 C ATOM 549 C LYS A 32 -8.414 2.492 6.555 1.00 0.45 C ATOM 550 O LYS A 32 -7.464 1.716 6.456 1.00 12.33 O ATOM 551 CB LYS A 32 -10.185 0.680 6.815 1.00 32.33 C ATOM 552 CG LYS A 32 -11.696 0.397 7.070 1.00 44.44 C ATOM 553 CD LYS A 32 -12.525 0.031 5.805 1.00 21.00 C ATOM 554 CE LYS A 32 -13.175 1.237 5.093 1.00 54.14 C ATOM 555 NZ LYS A 32 -14.078 2.004 5.987 1.00 12.45 N ATOM 0 H LYS A 32 -9.524 1.069 4.287 1.00 35.03 H new ATOM 0 HA LYS A 32 -10.570 2.778 6.464 1.00 72.24 H new ATOM 0 HB2 LYS A 32 -9.789 -0.122 6.192 1.00 32.33 H new ATOM 0 HB3 LYS A 32 -9.663 0.628 7.771 1.00 32.33 H new ATOM 0 HG2 LYS A 32 -11.780 -0.419 7.788 1.00 44.44 H new ATOM 0 HG3 LYS A 32 -12.141 1.277 7.534 1.00 44.44 H new ATOM 0 HD2 LYS A 32 -11.876 -0.485 5.098 1.00 21.00 H new ATOM 0 HD3 LYS A 32 -13.308 -0.671 6.090 1.00 21.00 H new ATOM 0 HE2 LYS A 32 -12.394 1.898 4.717 1.00 54.14 H new ATOM 0 HE3 LYS A 32 -13.738 0.885 4.229 1.00 54.14 H new ATOM 0 HZ1 LYS A 32 -14.734 2.571 5.414 1.00 12.45 H new ATOM 0 HZ2 LYS A 32 -14.619 1.345 6.582 1.00 12.45 H new ATOM 0 HZ3 LYS A 32 -13.514 2.634 6.593 1.00 12.45 H new ATOM 569 N ARG A 33 -8.308 3.723 7.080 1.00 33.45 N ATOM 570 CA ARG A 33 -7.010 4.389 7.366 1.00 22.24 C ATOM 571 C ARG A 33 -7.132 5.305 8.608 1.00 1.03 C ATOM 572 O ARG A 33 -8.226 5.775 8.946 1.00 74.44 O ATOM 573 CB ARG A 33 -6.550 5.260 6.151 1.00 55.25 C ATOM 574 CG ARG A 33 -6.215 4.519 4.822 1.00 2.01 C ATOM 575 CD ARG A 33 -4.899 3.697 4.835 1.00 70.45 C ATOM 576 NE ARG A 33 -5.073 2.325 5.344 1.00 35.25 N ATOM 577 CZ ARG A 33 -4.197 1.625 6.035 1.00 11.11 C ATOM 578 NH1 ARG A 33 -3.108 2.158 6.488 1.00 74.44 N ATOM 579 NH2 ARG A 33 -4.468 0.403 6.324 1.00 63.13 N ATOM 0 H ARG A 33 -9.118 4.293 7.322 1.00 33.45 H new ATOM 0 HA ARG A 33 -6.275 3.606 7.552 1.00 22.24 H new ATOM 0 HB2 ARG A 33 -7.334 5.987 5.942 1.00 55.25 H new ATOM 0 HB3 ARG A 33 -5.667 5.822 6.455 1.00 55.25 H new ATOM 0 HG2 ARG A 33 -7.040 3.849 4.581 1.00 2.01 H new ATOM 0 HG3 ARG A 33 -6.157 5.255 4.020 1.00 2.01 H new ATOM 0 HD2 ARG A 33 -4.496 3.653 3.823 1.00 70.45 H new ATOM 0 HD3 ARG A 33 -4.162 4.214 5.449 1.00 70.45 H new ATOM 0 HE ARG A 33 -5.963 1.871 5.140 1.00 35.25 H new ATOM 0 HH11 ARG A 33 -2.911 3.143 6.313 1.00 74.44 H new ATOM 0 HH12 ARG A 33 -2.447 1.593 7.020 1.00 74.44 H new ATOM 0 HH21 ARG A 33 -5.350 -0.010 6.019 1.00 63.13 H new ATOM 0 HH22 ARG A 33 -3.802 -0.155 6.858 1.00 63.13 H new ATOM 593 N GLY A 34 -5.988 5.560 9.261 1.00 23.52 N ATOM 594 CA GLY A 34 -5.879 6.538 10.353 1.00 23.11 C ATOM 595 C GLY A 34 -5.821 8.002 9.874 1.00 71.02 C ATOM 596 O GLY A 34 -6.338 8.897 10.553 1.00 23.54 O ATOM 0 H GLY A 34 -5.108 5.091 9.045 1.00 23.52 H new ATOM 0 HA2 GLY A 34 -6.731 6.418 11.022 1.00 23.11 H new ATOM 0 HA3 GLY A 34 -4.984 6.320 10.935 1.00 23.11 H new ATOM 600 N ILE A 35 -5.163 8.258 8.710 1.00 33.14 N ATOM 601 CA ILE A 35 -5.112 9.617 8.087 1.00 65.22 C ATOM 602 C ILE A 35 -5.541 9.582 6.599 1.00 70.02 C ATOM 603 O ILE A 35 -5.405 8.554 5.915 1.00 44.31 O ATOM 604 CB ILE A 35 -3.690 10.303 8.181 1.00 72.12 C ATOM 605 CG1 ILE A 35 -2.599 9.473 7.428 1.00 61.10 C ATOM 606 CG2 ILE A 35 -3.287 10.552 9.649 1.00 20.32 C ATOM 607 CD1 ILE A 35 -1.247 10.158 7.286 1.00 3.32 C ATOM 0 H ILE A 35 -4.660 7.544 8.182 1.00 33.14 H new ATOM 0 HA ILE A 35 -5.816 10.213 8.668 1.00 65.22 H new ATOM 0 HB ILE A 35 -3.762 11.271 7.686 1.00 72.12 H new ATOM 0 HG12 ILE A 35 -2.457 8.529 7.954 1.00 61.10 H new ATOM 0 HG13 ILE A 35 -2.972 9.231 6.433 1.00 61.10 H new ATOM 0 HG21 ILE A 35 -2.305 11.024 9.682 1.00 20.32 H new ATOM 0 HG22 ILE A 35 -4.020 11.206 10.122 1.00 20.32 H new ATOM 0 HG23 ILE A 35 -3.251 9.602 10.182 1.00 20.32 H new ATOM 0 HD11 ILE A 35 -0.561 9.502 6.750 1.00 3.32 H new ATOM 0 HD12 ILE A 35 -1.367 11.088 6.731 1.00 3.32 H new ATOM 0 HD13 ILE A 35 -0.844 10.375 8.275 1.00 3.32 H new ATOM 619 N LEU A 36 -6.031 10.741 6.108 1.00 45.31 N ATOM 620 CA LEU A 36 -6.537 10.903 4.727 1.00 65.31 C ATOM 621 C LEU A 36 -5.403 10.927 3.671 1.00 73.31 C ATOM 622 O LEU A 36 -5.620 10.526 2.533 1.00 43.01 O ATOM 623 CB LEU A 36 -7.413 12.183 4.617 1.00 23.34 C ATOM 624 CG LEU A 36 -8.190 12.386 3.274 1.00 63.12 C ATOM 625 CD1 LEU A 36 -9.107 11.183 2.961 1.00 4.33 C ATOM 626 CD2 LEU A 36 -8.999 13.704 3.289 1.00 61.51 C ATOM 0 H LEU A 36 -6.087 11.596 6.662 1.00 45.31 H new ATOM 0 HA LEU A 36 -7.149 10.028 4.510 1.00 65.31 H new ATOM 0 HB2 LEU A 36 -8.137 12.171 5.431 1.00 23.34 H new ATOM 0 HB3 LEU A 36 -6.771 13.050 4.774 1.00 23.34 H new ATOM 0 HG LEU A 36 -7.448 12.453 2.478 1.00 63.12 H new ATOM 0 HD11 LEU A 36 -9.630 11.359 2.021 1.00 4.33 H new ATOM 0 HD12 LEU A 36 -8.505 10.279 2.877 1.00 4.33 H new ATOM 0 HD13 LEU A 36 -9.834 11.061 3.764 1.00 4.33 H new ATOM 0 HD21 LEU A 36 -9.528 13.817 2.343 1.00 61.51 H new ATOM 0 HD22 LEU A 36 -9.719 13.679 4.107 1.00 61.51 H new ATOM 0 HD23 LEU A 36 -8.321 14.546 3.428 1.00 61.51 H new ATOM 638 N GLU A 37 -4.197 11.389 4.046 1.00 44.21 N ATOM 639 CA GLU A 37 -3.034 11.424 3.110 1.00 63.02 C ATOM 640 C GLU A 37 -2.546 10.004 2.734 1.00 75.33 C ATOM 641 O GLU A 37 -2.148 9.765 1.587 1.00 22.55 O ATOM 642 CB GLU A 37 -1.863 12.304 3.670 1.00 34.05 C ATOM 643 CG GLU A 37 -1.799 13.743 3.093 1.00 72.34 C ATOM 644 CD GLU A 37 -1.495 13.777 1.571 1.00 10.24 C ATOM 645 OE1 GLU A 37 -2.429 13.636 0.745 1.00 42.10 O ATOM 646 OE2 GLU A 37 -0.313 13.922 1.187 1.00 43.41 O ATOM 0 H GLU A 37 -3.992 11.743 4.980 1.00 44.21 H new ATOM 0 HA GLU A 37 -3.385 11.895 2.192 1.00 63.02 H new ATOM 0 HB2 GLU A 37 -1.960 12.366 4.754 1.00 34.05 H new ATOM 0 HB3 GLU A 37 -0.918 11.802 3.462 1.00 34.05 H new ATOM 0 HG2 GLU A 37 -2.749 14.245 3.279 1.00 72.34 H new ATOM 0 HG3 GLU A 37 -1.031 14.307 3.623 1.00 72.34 H new ATOM 653 N THR A 38 -2.559 9.081 3.711 1.00 44.53 N ATOM 654 CA THR A 38 -2.264 7.647 3.469 1.00 15.23 C ATOM 655 C THR A 38 -3.438 6.951 2.739 1.00 24.21 C ATOM 656 O THR A 38 -3.235 5.969 2.034 1.00 3.20 O ATOM 657 CB THR A 38 -1.893 6.902 4.790 1.00 70.13 C ATOM 658 OG1 THR A 38 -0.800 7.592 5.417 1.00 15.10 O ATOM 659 CG2 THR A 38 -1.483 5.436 4.558 1.00 11.14 C ATOM 0 H THR A 38 -2.772 9.299 4.684 1.00 44.53 H new ATOM 0 HA THR A 38 -1.392 7.599 2.817 1.00 15.23 H new ATOM 0 HB THR A 38 -2.782 6.896 5.421 1.00 70.13 H new ATOM 0 HG1 THR A 38 -0.177 6.939 5.799 1.00 15.10 H new ATOM 0 HG21 THR A 38 -1.237 4.972 5.513 1.00 11.14 H new ATOM 0 HG22 THR A 38 -2.309 4.896 4.094 1.00 11.14 H new ATOM 0 HG23 THR A 38 -0.613 5.401 3.902 1.00 11.14 H new ATOM 667 N ASP A 39 -4.672 7.448 2.945 1.00 60.14 N ATOM 668 CA ASP A 39 -5.860 6.996 2.176 1.00 62.53 C ATOM 669 C ASP A 39 -5.742 7.359 0.667 1.00 22.03 C ATOM 670 O ASP A 39 -5.974 6.525 -0.197 1.00 64.13 O ATOM 671 CB ASP A 39 -7.150 7.592 2.797 1.00 64.41 C ATOM 672 CG ASP A 39 -8.414 7.298 1.969 1.00 14.15 C ATOM 673 OD1 ASP A 39 -8.998 6.194 2.099 1.00 62.25 O ATOM 674 OD2 ASP A 39 -8.822 8.163 1.165 1.00 71.23 O ATOM 0 H ASP A 39 -4.879 8.166 3.639 1.00 60.14 H new ATOM 0 HA ASP A 39 -5.911 5.909 2.237 1.00 62.53 H new ATOM 0 HB2 ASP A 39 -7.280 7.191 3.802 1.00 64.41 H new ATOM 0 HB3 ASP A 39 -7.032 8.671 2.897 1.00 64.41 H new ATOM 679 N LEU A 40 -5.387 8.617 0.363 1.00 3.33 N ATOM 680 CA LEU A 40 -5.197 9.095 -1.033 1.00 23.14 C ATOM 681 C LEU A 40 -3.971 8.411 -1.696 1.00 51.11 C ATOM 682 O LEU A 40 -3.926 8.220 -2.920 1.00 71.24 O ATOM 683 CB LEU A 40 -5.049 10.642 -1.047 1.00 22.40 C ATOM 684 CG LEU A 40 -6.279 11.445 -0.503 1.00 0.30 C ATOM 685 CD1 LEU A 40 -6.020 12.967 -0.520 1.00 33.35 C ATOM 686 CD2 LEU A 40 -7.578 11.084 -1.264 1.00 63.25 C ATOM 0 H LEU A 40 -5.222 9.336 1.068 1.00 3.33 H new ATOM 0 HA LEU A 40 -6.077 8.824 -1.617 1.00 23.14 H new ATOM 0 HB2 LEU A 40 -4.173 10.910 -0.457 1.00 22.40 H new ATOM 0 HB3 LEU A 40 -4.854 10.961 -2.071 1.00 22.40 H new ATOM 0 HG LEU A 40 -6.418 11.151 0.537 1.00 0.30 H new ATOM 0 HD11 LEU A 40 -6.896 13.489 -0.135 1.00 33.35 H new ATOM 0 HD12 LEU A 40 -5.157 13.196 0.105 1.00 33.35 H new ATOM 0 HD13 LEU A 40 -5.824 13.291 -1.542 1.00 33.35 H new ATOM 0 HD21 LEU A 40 -8.409 11.661 -0.859 1.00 63.25 H new ATOM 0 HD22 LEU A 40 -7.457 11.317 -2.322 1.00 63.25 H new ATOM 0 HD23 LEU A 40 -7.784 10.020 -1.148 1.00 63.25 H new ATOM 698 N LEU A 41 -2.997 8.031 -0.853 1.00 13.41 N ATOM 699 CA LEU A 41 -1.799 7.277 -1.270 1.00 4.11 C ATOM 700 C LEU A 41 -2.146 5.794 -1.595 1.00 51.32 C ATOM 701 O LEU A 41 -1.912 5.325 -2.699 1.00 53.22 O ATOM 702 CB LEU A 41 -0.724 7.372 -0.150 1.00 12.54 C ATOM 703 CG LEU A 41 0.666 6.712 -0.426 1.00 42.35 C ATOM 704 CD1 LEU A 41 1.320 7.273 -1.710 1.00 31.54 C ATOM 705 CD2 LEU A 41 1.605 6.876 0.796 1.00 73.44 C ATOM 0 H LEU A 41 -3.017 8.239 0.145 1.00 13.41 H new ATOM 0 HA LEU A 41 -1.403 7.716 -2.186 1.00 4.11 H new ATOM 0 HB2 LEU A 41 -0.558 8.427 0.068 1.00 12.54 H new ATOM 0 HB3 LEU A 41 -1.137 6.921 0.752 1.00 12.54 H new ATOM 0 HG LEU A 41 0.499 5.647 -0.587 1.00 42.35 H new ATOM 0 HD11 LEU A 41 2.284 6.790 -1.868 1.00 31.54 H new ATOM 0 HD12 LEU A 41 0.672 7.077 -2.564 1.00 31.54 H new ATOM 0 HD13 LEU A 41 1.466 8.348 -1.604 1.00 31.54 H new ATOM 0 HD21 LEU A 41 2.566 6.409 0.581 1.00 73.44 H new ATOM 0 HD22 LEU A 41 1.754 7.936 1.001 1.00 73.44 H new ATOM 0 HD23 LEU A 41 1.156 6.398 1.667 1.00 73.44 H new ATOM 717 N LEU A 42 -2.720 5.075 -0.623 1.00 15.45 N ATOM 718 CA LEU A 42 -3.006 3.627 -0.745 1.00 72.33 C ATOM 719 C LEU A 42 -4.241 3.311 -1.621 1.00 52.35 C ATOM 720 O LEU A 42 -4.166 2.433 -2.461 1.00 61.23 O ATOM 721 CB LEU A 42 -3.130 2.967 0.655 1.00 64.00 C ATOM 722 CG LEU A 42 -1.801 2.892 1.472 1.00 32.23 C ATOM 723 CD1 LEU A 42 -2.001 2.154 2.812 1.00 3.21 C ATOM 724 CD2 LEU A 42 -0.680 2.241 0.632 1.00 42.14 C ATOM 0 H LEU A 42 -3.002 5.474 0.273 1.00 15.45 H new ATOM 0 HA LEU A 42 -2.152 3.193 -1.265 1.00 72.33 H new ATOM 0 HB2 LEU A 42 -3.866 3.522 1.237 1.00 64.00 H new ATOM 0 HB3 LEU A 42 -3.519 1.956 0.530 1.00 64.00 H new ATOM 0 HG LEU A 42 -1.496 3.911 1.709 1.00 32.23 H new ATOM 0 HD11 LEU A 42 -1.056 2.121 3.354 1.00 3.21 H new ATOM 0 HD12 LEU A 42 -2.744 2.681 3.410 1.00 3.21 H new ATOM 0 HD13 LEU A 42 -2.345 1.138 2.620 1.00 3.21 H new ATOM 0 HD21 LEU A 42 0.237 2.198 1.220 1.00 42.14 H new ATOM 0 HD22 LEU A 42 -0.977 1.231 0.349 1.00 42.14 H new ATOM 0 HD23 LEU A 42 -0.508 2.833 -0.267 1.00 42.14 H new ATOM 736 N SER A 43 -5.368 4.016 -1.417 1.00 62.12 N ATOM 737 CA SER A 43 -6.628 3.760 -2.192 1.00 14.54 C ATOM 738 C SER A 43 -6.481 4.183 -3.680 1.00 31.33 C ATOM 739 O SER A 43 -7.087 3.572 -4.572 1.00 15.43 O ATOM 740 CB SER A 43 -7.847 4.463 -1.545 1.00 70.43 C ATOM 741 OG SER A 43 -9.046 4.230 -2.275 1.00 4.45 O ATOM 0 H SER A 43 -5.448 4.766 -0.730 1.00 62.12 H new ATOM 0 HA SER A 43 -6.804 2.685 -2.164 1.00 14.54 H new ATOM 0 HB2 SER A 43 -7.970 4.107 -0.522 1.00 70.43 H new ATOM 0 HB3 SER A 43 -7.659 5.535 -1.489 1.00 70.43 H new ATOM 0 HG SER A 43 -9.647 4.997 -2.170 1.00 4.45 H new ATOM 747 N GLY A 44 -5.657 5.218 -3.937 1.00 13.03 N ATOM 748 CA GLY A 44 -5.256 5.582 -5.311 1.00 62.33 C ATOM 749 C GLY A 44 -4.349 4.518 -5.958 1.00 21.11 C ATOM 750 O GLY A 44 -4.550 4.114 -7.107 1.00 61.34 O ATOM 0 H GLY A 44 -5.257 5.815 -3.213 1.00 13.03 H new ATOM 0 HA2 GLY A 44 -6.148 5.717 -5.923 1.00 62.33 H new ATOM 0 HA3 GLY A 44 -4.734 6.539 -5.293 1.00 62.33 H new ATOM 754 N PHE A 45 -3.355 4.059 -5.169 1.00 25.33 N ATOM 755 CA PHE A 45 -2.453 2.931 -5.521 1.00 20.54 C ATOM 756 C PHE A 45 -3.265 1.629 -5.762 1.00 70.53 C ATOM 757 O PHE A 45 -2.908 0.798 -6.591 1.00 72.32 O ATOM 758 CB PHE A 45 -1.431 2.733 -4.363 1.00 52.54 C ATOM 759 CG PHE A 45 -0.267 1.776 -4.631 1.00 73.12 C ATOM 760 CD1 PHE A 45 -0.411 0.397 -4.477 1.00 11.11 C ATOM 761 CD2 PHE A 45 0.982 2.263 -5.010 1.00 45.31 C ATOM 762 CE1 PHE A 45 0.649 -0.458 -4.704 1.00 11.45 C ATOM 763 CE2 PHE A 45 2.038 1.404 -5.230 1.00 11.22 C ATOM 764 CZ PHE A 45 1.875 0.047 -5.077 1.00 34.43 C ATOM 0 H PHE A 45 -3.150 4.464 -4.256 1.00 25.33 H new ATOM 0 HA PHE A 45 -1.923 3.162 -6.445 1.00 20.54 H new ATOM 0 HB2 PHE A 45 -1.018 3.708 -4.103 1.00 52.54 H new ATOM 0 HB3 PHE A 45 -1.973 2.373 -3.488 1.00 52.54 H new ATOM 0 HD1 PHE A 45 -1.366 -0.008 -4.176 1.00 11.11 H new ATOM 0 HD2 PHE A 45 1.125 3.326 -5.133 1.00 45.31 H new ATOM 0 HE1 PHE A 45 0.517 -1.524 -4.589 1.00 11.45 H new ATOM 0 HE2 PHE A 45 2.999 1.799 -5.524 1.00 11.22 H new ATOM 0 HZ PHE A 45 2.706 -0.621 -5.249 1.00 34.43 H new ATOM 774 N ALA A 46 -4.361 1.478 -5.012 1.00 0.13 N ATOM 775 CA ALA A 46 -5.221 0.289 -5.057 1.00 34.24 C ATOM 776 C ALA A 46 -6.085 0.237 -6.333 1.00 21.12 C ATOM 777 O ALA A 46 -6.293 -0.836 -6.912 1.00 74.03 O ATOM 778 CB ALA A 46 -6.089 0.234 -3.799 1.00 51.15 C ATOM 0 H ALA A 46 -4.680 2.185 -4.349 1.00 0.13 H new ATOM 0 HA ALA A 46 -4.577 -0.590 -5.087 1.00 34.24 H new ATOM 0 HB1 ALA A 46 -6.726 -0.650 -3.835 1.00 51.15 H new ATOM 0 HB2 ALA A 46 -5.450 0.184 -2.918 1.00 51.15 H new ATOM 0 HB3 ALA A 46 -6.711 1.128 -3.746 1.00 51.15 H new ATOM 784 N ALA A 47 -6.590 1.402 -6.758 1.00 35.21 N ATOM 785 CA ALA A 47 -7.389 1.522 -7.995 1.00 21.14 C ATOM 786 C ALA A 47 -6.519 1.365 -9.270 1.00 73.35 C ATOM 787 O ALA A 47 -6.980 0.836 -10.292 1.00 34.12 O ATOM 788 CB ALA A 47 -8.123 2.870 -8.006 1.00 33.44 C ATOM 0 H ALA A 47 -6.461 2.284 -6.262 1.00 35.21 H new ATOM 0 HA ALA A 47 -8.116 0.710 -8.005 1.00 21.14 H new ATOM 0 HB1 ALA A 47 -8.712 2.956 -8.919 1.00 33.44 H new ATOM 0 HB2 ALA A 47 -8.784 2.932 -7.141 1.00 33.44 H new ATOM 0 HB3 ALA A 47 -7.396 3.681 -7.965 1.00 33.44 H new ATOM 794 N LYS A 48 -5.259 1.820 -9.184 1.00 63.01 N ATOM 795 CA LYS A 48 -4.327 1.840 -10.331 1.00 54.13 C ATOM 796 C LYS A 48 -3.520 0.515 -10.457 1.00 73.42 C ATOM 797 O LYS A 48 -3.592 -0.173 -11.478 1.00 71.42 O ATOM 798 CB LYS A 48 -3.363 3.051 -10.168 1.00 33.40 C ATOM 799 CG LYS A 48 -2.394 3.285 -11.352 1.00 33.10 C ATOM 800 CD LYS A 48 -1.410 4.461 -11.113 1.00 22.21 C ATOM 801 CE LYS A 48 -2.111 5.825 -10.948 1.00 2.44 C ATOM 802 NZ LYS A 48 -1.130 6.934 -10.795 1.00 14.40 N ATOM 0 H LYS A 48 -4.855 2.184 -8.321 1.00 63.01 H new ATOM 0 HA LYS A 48 -4.908 1.939 -11.248 1.00 54.13 H new ATOM 0 HB2 LYS A 48 -3.959 3.952 -10.023 1.00 33.40 H new ATOM 0 HB3 LYS A 48 -2.775 2.908 -9.261 1.00 33.40 H new ATOM 0 HG2 LYS A 48 -1.824 2.374 -11.532 1.00 33.10 H new ATOM 0 HG3 LYS A 48 -2.973 3.482 -12.254 1.00 33.10 H new ATOM 0 HD2 LYS A 48 -0.819 4.255 -10.221 1.00 22.21 H new ATOM 0 HD3 LYS A 48 -0.714 4.518 -11.950 1.00 22.21 H new ATOM 0 HE2 LYS A 48 -2.744 6.016 -11.815 1.00 2.44 H new ATOM 0 HE3 LYS A 48 -2.765 5.795 -10.076 1.00 2.44 H new ATOM 0 HZ1 LYS A 48 -1.603 7.843 -10.974 1.00 14.40 H new ATOM 0 HZ2 LYS A 48 -0.747 6.928 -9.828 1.00 14.40 H new ATOM 0 HZ3 LYS A 48 -0.354 6.807 -11.476 1.00 14.40 H new ATOM 816 N TYR A 49 -2.794 0.141 -9.389 1.00 45.14 N ATOM 817 CA TYR A 49 -1.797 -0.966 -9.425 1.00 34.04 C ATOM 818 C TYR A 49 -2.437 -2.375 -9.298 1.00 75.50 C ATOM 819 O TYR A 49 -2.027 -3.293 -10.020 1.00 71.13 O ATOM 820 CB TYR A 49 -0.715 -0.758 -8.326 1.00 13.41 C ATOM 821 CG TYR A 49 0.260 0.413 -8.586 1.00 2.21 C ATOM 822 CD1 TYR A 49 -0.160 1.745 -8.520 1.00 73.43 C ATOM 823 CD2 TYR A 49 1.610 0.180 -8.879 1.00 75.12 C ATOM 824 CE1 TYR A 49 0.722 2.791 -8.741 1.00 34.00 C ATOM 825 CE2 TYR A 49 2.488 1.226 -9.102 1.00 70.45 C ATOM 826 CZ TYR A 49 2.042 2.526 -9.033 1.00 1.11 C ATOM 827 OH TYR A 49 2.920 3.570 -9.251 1.00 71.20 O ATOM 0 H TYR A 49 -2.874 0.589 -8.476 1.00 45.14 H new ATOM 0 HA TYR A 49 -1.329 -0.929 -10.409 1.00 34.04 H new ATOM 0 HB2 TYR A 49 -1.215 -0.591 -7.372 1.00 13.41 H new ATOM 0 HB3 TYR A 49 -0.138 -1.677 -8.227 1.00 13.41 H new ATOM 0 HD1 TYR A 49 -1.193 1.963 -8.292 1.00 73.43 H new ATOM 0 HD2 TYR A 49 1.973 -0.836 -8.932 1.00 75.12 H new ATOM 0 HE1 TYR A 49 0.375 3.812 -8.684 1.00 34.00 H new ATOM 0 HE2 TYR A 49 3.524 1.022 -9.330 1.00 70.45 H new ATOM 0 HH TYR A 49 3.536 3.643 -8.492 1.00 71.20 H new ATOM 837 N LEU A 50 -3.442 -2.548 -8.396 1.00 14.04 N ATOM 838 CA LEU A 50 -4.128 -3.876 -8.196 1.00 21.33 C ATOM 839 C LEU A 50 -4.823 -4.397 -9.476 1.00 22.42 C ATOM 840 O LEU A 50 -5.081 -5.600 -9.606 1.00 74.23 O ATOM 841 CB LEU A 50 -5.119 -3.875 -6.994 1.00 33.25 C ATOM 842 CG LEU A 50 -4.485 -4.150 -5.592 1.00 55.44 C ATOM 843 CD1 LEU A 50 -3.707 -2.947 -5.059 1.00 34.31 C ATOM 844 CD2 LEU A 50 -5.540 -4.612 -4.573 1.00 4.03 C ATOM 0 H LEU A 50 -3.798 -1.802 -7.799 1.00 14.04 H new ATOM 0 HA LEU A 50 -3.323 -4.571 -7.955 1.00 21.33 H new ATOM 0 HB2 LEU A 50 -5.621 -2.908 -6.962 1.00 33.25 H new ATOM 0 HB3 LEU A 50 -5.886 -4.627 -7.179 1.00 33.25 H new ATOM 0 HG LEU A 50 -3.771 -4.962 -5.732 1.00 55.44 H new ATOM 0 HD11 LEU A 50 -3.286 -3.189 -4.083 1.00 34.31 H new ATOM 0 HD12 LEU A 50 -2.901 -2.700 -5.750 1.00 34.31 H new ATOM 0 HD13 LEU A 50 -4.378 -2.093 -4.963 1.00 34.31 H new ATOM 0 HD21 LEU A 50 -5.061 -4.793 -3.611 1.00 4.03 H new ATOM 0 HD22 LEU A 50 -6.300 -3.839 -4.460 1.00 4.03 H new ATOM 0 HD23 LEU A 50 -6.007 -5.532 -4.925 1.00 4.03 H new ATOM 856 N LYS A 51 -5.109 -3.484 -10.402 1.00 21.03 N ATOM 857 CA LYS A 51 -5.703 -3.798 -11.717 1.00 2.13 C ATOM 858 C LYS A 51 -4.780 -4.713 -12.585 1.00 54.21 C ATOM 859 O LYS A 51 -5.261 -5.455 -13.442 1.00 64.35 O ATOM 860 CB LYS A 51 -6.017 -2.460 -12.426 1.00 13.33 C ATOM 861 CG LYS A 51 -6.873 -2.568 -13.712 1.00 11.10 C ATOM 862 CD LYS A 51 -7.447 -1.195 -14.152 1.00 13.54 C ATOM 863 CE LYS A 51 -8.358 -0.567 -13.069 1.00 51.24 C ATOM 864 NZ LYS A 51 -8.907 0.751 -13.470 1.00 21.33 N ATOM 0 H LYS A 51 -4.935 -2.488 -10.266 1.00 21.03 H new ATOM 0 HA LYS A 51 -6.620 -4.370 -11.574 1.00 2.13 H new ATOM 0 HB2 LYS A 51 -6.534 -1.809 -11.721 1.00 13.33 H new ATOM 0 HB3 LYS A 51 -5.075 -1.973 -12.678 1.00 13.33 H new ATOM 0 HG2 LYS A 51 -6.265 -2.981 -14.517 1.00 11.10 H new ATOM 0 HG3 LYS A 51 -7.693 -3.265 -13.543 1.00 11.10 H new ATOM 0 HD2 LYS A 51 -6.625 -0.514 -14.373 1.00 13.54 H new ATOM 0 HD3 LYS A 51 -8.015 -1.319 -15.074 1.00 13.54 H new ATOM 0 HE2 LYS A 51 -9.182 -1.248 -12.855 1.00 51.24 H new ATOM 0 HE3 LYS A 51 -7.790 -0.453 -12.146 1.00 51.24 H new ATOM 0 HZ1 LYS A 51 -9.508 1.123 -12.707 1.00 21.33 H new ATOM 0 HZ2 LYS A 51 -8.125 1.413 -13.649 1.00 21.33 H new ATOM 0 HZ3 LYS A 51 -9.473 0.642 -14.336 1.00 21.33 H new ATOM 878 N LYS A 52 -3.451 -4.640 -12.342 1.00 72.05 N ATOM 879 CA LYS A 52 -2.429 -5.478 -13.035 1.00 32.21 C ATOM 880 C LYS A 52 -1.710 -6.462 -12.063 1.00 34.34 C ATOM 881 O LYS A 52 -1.009 -7.383 -12.506 1.00 64.45 O ATOM 882 CB LYS A 52 -1.361 -4.547 -13.679 1.00 60.52 C ATOM 883 CG LYS A 52 -1.923 -3.473 -14.644 1.00 62.50 C ATOM 884 CD LYS A 52 -0.814 -2.574 -15.250 1.00 63.45 C ATOM 885 CE LYS A 52 -0.007 -1.800 -14.186 1.00 64.43 C ATOM 886 NZ LYS A 52 1.108 -1.027 -14.784 1.00 51.40 N ATOM 0 H LYS A 52 -3.050 -3.998 -11.658 1.00 72.05 H new ATOM 0 HA LYS A 52 -2.947 -6.070 -13.790 1.00 32.21 H new ATOM 0 HB2 LYS A 52 -0.811 -4.046 -12.883 1.00 60.52 H new ATOM 0 HB3 LYS A 52 -0.645 -5.163 -14.223 1.00 60.52 H new ATOM 0 HG2 LYS A 52 -2.468 -3.964 -15.450 1.00 62.50 H new ATOM 0 HG3 LYS A 52 -2.639 -2.849 -14.109 1.00 62.50 H new ATOM 0 HD2 LYS A 52 -0.133 -3.193 -15.834 1.00 63.45 H new ATOM 0 HD3 LYS A 52 -1.269 -1.863 -15.940 1.00 63.45 H new ATOM 0 HE2 LYS A 52 -0.671 -1.122 -13.650 1.00 64.43 H new ATOM 0 HE3 LYS A 52 0.391 -2.501 -13.453 1.00 64.43 H new ATOM 0 HZ1 LYS A 52 1.623 -0.523 -14.034 1.00 51.40 H new ATOM 0 HZ2 LYS A 52 1.757 -1.676 -15.273 1.00 51.40 H new ATOM 0 HZ3 LYS A 52 0.728 -0.339 -15.465 1.00 51.40 H new ATOM 900 N MET A 53 -1.877 -6.237 -10.750 1.00 24.51 N ATOM 901 CA MET A 53 -1.077 -6.874 -9.689 1.00 45.14 C ATOM 902 C MET A 53 -1.383 -8.391 -9.494 1.00 45.30 C ATOM 903 O MET A 53 -2.548 -8.792 -9.370 1.00 3.42 O ATOM 904 CB MET A 53 -1.333 -6.083 -8.387 1.00 13.45 C ATOM 905 CG MET A 53 -0.498 -6.498 -7.198 1.00 35.12 C ATOM 906 SD MET A 53 -0.827 -5.537 -5.700 1.00 60.14 S ATOM 907 CE MET A 53 -0.227 -3.907 -6.145 1.00 42.43 C ATOM 0 H MET A 53 -2.584 -5.596 -10.389 1.00 24.51 H new ATOM 0 HA MET A 53 -0.026 -6.841 -9.977 1.00 45.14 H new ATOM 0 HB2 MET A 53 -1.153 -5.026 -8.584 1.00 13.45 H new ATOM 0 HB3 MET A 53 -2.386 -6.184 -8.122 1.00 13.45 H new ATOM 0 HG2 MET A 53 -0.680 -7.552 -6.989 1.00 35.12 H new ATOM 0 HG3 MET A 53 0.557 -6.401 -7.456 1.00 35.12 H new ATOM 0 HE1 MET A 53 -0.190 -3.278 -5.256 1.00 42.43 H new ATOM 0 HE2 MET A 53 0.772 -3.991 -6.572 1.00 42.43 H new ATOM 0 HE3 MET A 53 -0.898 -3.460 -6.878 1.00 42.43 H new ATOM 917 N ASN A 54 -0.308 -9.210 -9.457 1.00 62.10 N ATOM 918 CA ASN A 54 -0.389 -10.680 -9.226 1.00 14.31 C ATOM 919 C ASN A 54 -0.474 -11.024 -7.716 1.00 12.02 C ATOM 920 O ASN A 54 -0.185 -10.176 -6.872 1.00 61.52 O ATOM 921 CB ASN A 54 0.841 -11.399 -9.855 1.00 2.31 C ATOM 922 CG ASN A 54 0.939 -11.256 -11.373 1.00 22.42 C ATOM 923 OD1 ASN A 54 -0.058 -11.101 -12.071 1.00 33.54 O ATOM 924 ND2 ASN A 54 2.142 -11.344 -11.906 1.00 52.32 N ATOM 0 H ASN A 54 0.646 -8.874 -9.586 1.00 62.10 H new ATOM 0 HA ASN A 54 -1.303 -11.031 -9.706 1.00 14.31 H new ATOM 0 HB2 ASN A 54 1.750 -11.002 -9.404 1.00 2.31 H new ATOM 0 HB3 ASN A 54 0.797 -12.459 -9.603 1.00 2.31 H new ATOM 0 HD21 ASN A 54 2.257 -11.283 -12.918 1.00 52.32 H new ATOM 0 HD22 ASN A 54 2.957 -11.473 -11.307 1.00 52.32 H new ATOM 931 N GLU A 55 -0.822 -12.298 -7.405 1.00 42.03 N ATOM 932 CA GLU A 55 -1.034 -12.808 -6.016 1.00 25.41 C ATOM 933 C GLU A 55 0.167 -12.511 -5.081 1.00 24.22 C ATOM 934 O GLU A 55 -0.014 -12.089 -3.932 1.00 32.42 O ATOM 935 CB GLU A 55 -1.283 -14.349 -6.027 1.00 1.34 C ATOM 936 CG GLU A 55 -2.535 -14.854 -6.789 1.00 25.11 C ATOM 937 CD GLU A 55 -2.439 -14.799 -8.328 1.00 72.12 C ATOM 938 OE1 GLU A 55 -1.894 -15.747 -8.928 1.00 1.03 O ATOM 939 OE2 GLU A 55 -2.884 -13.799 -8.937 1.00 64.44 O ATOM 0 H GLU A 55 -0.966 -13.014 -8.117 1.00 42.03 H new ATOM 0 HA GLU A 55 -1.908 -12.283 -5.631 1.00 25.41 H new ATOM 0 HB2 GLU A 55 -0.406 -14.831 -6.459 1.00 1.34 H new ATOM 0 HB3 GLU A 55 -1.356 -14.688 -4.994 1.00 1.34 H new ATOM 0 HG2 GLU A 55 -2.730 -15.884 -6.491 1.00 25.11 H new ATOM 0 HG3 GLU A 55 -3.395 -14.262 -6.474 1.00 25.11 H new ATOM 946 N GLU A 56 1.380 -12.748 -5.609 1.00 41.54 N ATOM 947 CA GLU A 56 2.668 -12.515 -4.901 1.00 30.44 C ATOM 948 C GLU A 56 2.864 -11.027 -4.482 1.00 13.54 C ATOM 949 O GLU A 56 3.375 -10.732 -3.397 1.00 41.31 O ATOM 950 CB GLU A 56 3.835 -12.990 -5.811 1.00 55.13 C ATOM 951 CG GLU A 56 3.851 -12.349 -7.225 1.00 45.03 C ATOM 952 CD GLU A 56 5.007 -12.842 -8.105 1.00 43.13 C ATOM 953 OE1 GLU A 56 4.834 -13.850 -8.827 1.00 61.41 O ATOM 954 OE2 GLU A 56 6.100 -12.238 -8.068 1.00 61.23 O ATOM 0 H GLU A 56 1.504 -13.112 -6.554 1.00 41.54 H new ATOM 0 HA GLU A 56 2.655 -13.091 -3.975 1.00 30.44 H new ATOM 0 HB2 GLU A 56 4.780 -12.768 -5.315 1.00 55.13 H new ATOM 0 HB3 GLU A 56 3.778 -14.073 -5.918 1.00 55.13 H new ATOM 0 HG2 GLU A 56 2.906 -12.565 -7.724 1.00 45.03 H new ATOM 0 HG3 GLU A 56 3.918 -11.266 -7.124 1.00 45.03 H new ATOM 961 N GLU A 57 2.470 -10.109 -5.370 1.00 40.52 N ATOM 962 CA GLU A 57 2.530 -8.649 -5.129 1.00 12.21 C ATOM 963 C GLU A 57 1.350 -8.175 -4.226 1.00 42.42 C ATOM 964 O GLU A 57 1.486 -7.213 -3.465 1.00 71.35 O ATOM 965 CB GLU A 57 2.538 -7.909 -6.493 1.00 22.42 C ATOM 966 CG GLU A 57 3.631 -8.359 -7.491 1.00 12.12 C ATOM 967 CD GLU A 57 5.067 -8.003 -7.054 1.00 13.05 C ATOM 968 OE1 GLU A 57 5.700 -8.798 -6.329 1.00 72.34 O ATOM 969 OE2 GLU A 57 5.560 -6.920 -7.438 1.00 31.33 O ATOM 0 H GLU A 57 2.096 -10.352 -6.287 1.00 40.52 H new ATOM 0 HA GLU A 57 3.448 -8.411 -4.592 1.00 12.21 H new ATOM 0 HB2 GLU A 57 1.564 -8.042 -6.964 1.00 22.42 H new ATOM 0 HB3 GLU A 57 2.659 -6.842 -6.306 1.00 22.42 H new ATOM 0 HG2 GLU A 57 3.561 -9.438 -7.628 1.00 12.12 H new ATOM 0 HG3 GLU A 57 3.434 -7.901 -8.460 1.00 12.12 H new ATOM 976 N LEU A 58 0.190 -8.866 -4.343 1.00 63.33 N ATOM 977 CA LEU A 58 -1.041 -8.586 -3.553 1.00 53.11 C ATOM 978 C LEU A 58 -0.832 -8.862 -2.042 1.00 22.00 C ATOM 979 O LEU A 58 -1.244 -8.064 -1.199 1.00 11.42 O ATOM 980 CB LEU A 58 -2.237 -9.446 -4.081 1.00 32.11 C ATOM 981 CG LEU A 58 -2.840 -9.019 -5.460 1.00 72.12 C ATOM 982 CD1 LEU A 58 -3.855 -10.049 -5.985 1.00 25.34 C ATOM 983 CD2 LEU A 58 -3.492 -7.626 -5.373 1.00 43.25 C ATOM 0 H LEU A 58 0.078 -9.643 -4.995 1.00 63.33 H new ATOM 0 HA LEU A 58 -1.269 -7.527 -3.677 1.00 53.11 H new ATOM 0 HB2 LEU A 58 -1.906 -10.482 -4.158 1.00 32.11 H new ATOM 0 HB3 LEU A 58 -3.033 -9.420 -3.336 1.00 32.11 H new ATOM 0 HG LEU A 58 -2.012 -8.974 -6.168 1.00 72.12 H new ATOM 0 HD11 LEU A 58 -4.250 -9.714 -6.944 1.00 25.34 H new ATOM 0 HD12 LEU A 58 -3.363 -11.013 -6.112 1.00 25.34 H new ATOM 0 HD13 LEU A 58 -4.673 -10.150 -5.272 1.00 25.34 H new ATOM 0 HD21 LEU A 58 -3.903 -7.355 -6.346 1.00 43.25 H new ATOM 0 HD22 LEU A 58 -4.293 -7.645 -4.634 1.00 43.25 H new ATOM 0 HD23 LEU A 58 -2.743 -6.891 -5.078 1.00 43.25 H new ATOM 995 N GLU A 59 -0.201 -10.007 -1.712 1.00 64.32 N ATOM 996 CA GLU A 59 0.085 -10.384 -0.302 1.00 3.54 C ATOM 997 C GLU A 59 1.126 -9.438 0.338 1.00 62.21 C ATOM 998 O GLU A 59 1.106 -9.200 1.552 1.00 52.31 O ATOM 999 CB GLU A 59 0.538 -11.866 -0.220 1.00 73.55 C ATOM 1000 CG GLU A 59 1.793 -12.223 -1.042 1.00 42.44 C ATOM 1001 CD GLU A 59 2.044 -13.738 -1.133 1.00 63.24 C ATOM 1002 OE1 GLU A 59 1.369 -14.409 -1.949 1.00 63.32 O ATOM 1003 OE2 GLU A 59 2.889 -14.266 -0.379 1.00 43.22 O ATOM 0 H GLU A 59 0.122 -10.690 -2.398 1.00 64.32 H new ATOM 0 HA GLU A 59 -0.836 -10.278 0.271 1.00 3.54 H new ATOM 0 HB2 GLU A 59 0.727 -12.113 0.825 1.00 73.55 H new ATOM 0 HB3 GLU A 59 -0.285 -12.498 -0.553 1.00 73.55 H new ATOM 0 HG2 GLU A 59 1.689 -11.817 -2.048 1.00 42.44 H new ATOM 0 HG3 GLU A 59 2.663 -11.743 -0.593 1.00 42.44 H new ATOM 1010 N GLU A 60 2.019 -8.889 -0.505 1.00 70.00 N ATOM 1011 CA GLU A 60 2.960 -7.831 -0.100 1.00 71.32 C ATOM 1012 C GLU A 60 2.201 -6.523 0.213 1.00 10.21 C ATOM 1013 O GLU A 60 2.485 -5.841 1.204 1.00 4.21 O ATOM 1014 CB GLU A 60 3.998 -7.589 -1.225 1.00 64.21 C ATOM 1015 CG GLU A 60 5.201 -6.717 -0.824 1.00 53.54 C ATOM 1016 CD GLU A 60 6.112 -7.388 0.219 1.00 65.24 C ATOM 1017 OE1 GLU A 60 6.906 -8.274 -0.162 1.00 72.44 O ATOM 1018 OE2 GLU A 60 6.029 -7.053 1.420 1.00 33.34 O ATOM 0 H GLU A 60 2.108 -9.166 -1.483 1.00 70.00 H new ATOM 0 HA GLU A 60 3.481 -8.153 0.802 1.00 71.32 H new ATOM 0 HB2 GLU A 60 4.368 -8.554 -1.571 1.00 64.21 H new ATOM 0 HB3 GLU A 60 3.493 -7.119 -2.069 1.00 64.21 H new ATOM 0 HG2 GLU A 60 5.787 -6.485 -1.714 1.00 53.54 H new ATOM 0 HG3 GLU A 60 4.838 -5.770 -0.425 1.00 53.54 H new ATOM 1025 N TYR A 61 1.219 -6.187 -0.659 1.00 75.12 N ATOM 1026 CA TYR A 61 0.351 -5.003 -0.486 1.00 72.10 C ATOM 1027 C TYR A 61 -0.493 -5.100 0.803 1.00 11.21 C ATOM 1028 O TYR A 61 -0.702 -4.095 1.486 1.00 45.12 O ATOM 1029 CB TYR A 61 -0.550 -4.796 -1.728 1.00 61.33 C ATOM 1030 CG TYR A 61 -1.415 -3.528 -1.653 1.00 45.40 C ATOM 1031 CD1 TYR A 61 -0.824 -2.260 -1.630 1.00 53.40 C ATOM 1032 CD2 TYR A 61 -2.805 -3.594 -1.570 1.00 5.33 C ATOM 1033 CE1 TYR A 61 -1.591 -1.119 -1.535 1.00 55.12 C ATOM 1034 CE2 TYR A 61 -3.572 -2.453 -1.473 1.00 71.41 C ATOM 1035 CZ TYR A 61 -2.961 -1.221 -1.458 1.00 52.11 C ATOM 1036 OH TYR A 61 -3.723 -0.090 -1.356 1.00 45.52 O ATOM 0 H TYR A 61 1.009 -6.729 -1.498 1.00 75.12 H new ATOM 0 HA TYR A 61 0.998 -4.131 -0.385 1.00 72.10 H new ATOM 0 HB2 TYR A 61 0.077 -4.746 -2.618 1.00 61.33 H new ATOM 0 HB3 TYR A 61 -1.200 -5.663 -1.844 1.00 61.33 H new ATOM 0 HD1 TYR A 61 0.251 -2.174 -1.688 1.00 53.40 H new ATOM 0 HD2 TYR A 61 -3.291 -4.559 -1.582 1.00 5.33 H new ATOM 0 HE1 TYR A 61 -1.118 -0.148 -1.521 1.00 55.12 H new ATOM 0 HE2 TYR A 61 -4.648 -2.526 -1.409 1.00 71.41 H new ATOM 0 HH TYR A 61 -3.461 0.545 -2.055 1.00 45.52 H new ATOM 1046 N ASP A 62 -0.947 -6.325 1.132 1.00 13.15 N ATOM 1047 CA ASP A 62 -1.663 -6.606 2.396 1.00 53.32 C ATOM 1048 C ASP A 62 -0.805 -6.198 3.613 1.00 23.42 C ATOM 1049 O ASP A 62 -1.279 -5.498 4.512 1.00 75.13 O ATOM 1050 CB ASP A 62 -2.043 -8.107 2.487 1.00 70.43 C ATOM 1051 CG ASP A 62 -2.845 -8.440 3.762 1.00 72.24 C ATOM 1052 OD1 ASP A 62 -4.079 -8.233 3.772 1.00 22.42 O ATOM 1053 OD2 ASP A 62 -2.243 -8.902 4.762 1.00 2.20 O ATOM 0 H ASP A 62 -0.830 -7.144 0.535 1.00 13.15 H new ATOM 0 HA ASP A 62 -2.578 -6.014 2.404 1.00 53.32 H new ATOM 0 HB2 ASP A 62 -2.630 -8.383 1.611 1.00 70.43 H new ATOM 0 HB3 ASP A 62 -1.135 -8.710 2.466 1.00 70.43 H new ATOM 1058 N SER A 63 0.471 -6.616 3.590 1.00 74.33 N ATOM 1059 CA SER A 63 1.462 -6.284 4.639 1.00 61.53 C ATOM 1060 C SER A 63 1.568 -4.757 4.869 1.00 23.23 C ATOM 1061 O SER A 63 1.627 -4.304 6.013 1.00 13.14 O ATOM 1062 CB SER A 63 2.845 -6.860 4.264 1.00 71.41 C ATOM 1063 OG SER A 63 2.781 -8.263 4.045 1.00 52.42 O ATOM 0 H SER A 63 0.851 -7.196 2.842 1.00 74.33 H new ATOM 0 HA SER A 63 1.120 -6.736 5.570 1.00 61.53 H new ATOM 0 HB2 SER A 63 3.215 -6.367 3.365 1.00 71.41 H new ATOM 0 HB3 SER A 63 3.558 -6.647 5.061 1.00 71.41 H new ATOM 0 HG SER A 63 2.348 -8.440 3.184 1.00 52.42 H new ATOM 1069 N LEU A 64 1.528 -3.983 3.763 1.00 40.00 N ATOM 1070 CA LEU A 64 1.589 -2.501 3.785 1.00 24.04 C ATOM 1071 C LEU A 64 0.329 -1.881 4.445 1.00 50.14 C ATOM 1072 O LEU A 64 0.406 -0.856 5.123 1.00 62.30 O ATOM 1073 CB LEU A 64 1.762 -1.980 2.336 1.00 42.03 C ATOM 1074 CG LEU A 64 2.056 -0.459 2.161 1.00 4.53 C ATOM 1075 CD1 LEU A 64 3.372 -0.051 2.867 1.00 31.42 C ATOM 1076 CD2 LEU A 64 2.075 -0.069 0.663 1.00 70.34 C ATOM 0 H LEU A 64 1.452 -4.369 2.822 1.00 40.00 H new ATOM 0 HA LEU A 64 2.444 -2.198 4.390 1.00 24.04 H new ATOM 0 HB2 LEU A 64 2.574 -2.538 1.870 1.00 42.03 H new ATOM 0 HB3 LEU A 64 0.854 -2.216 1.781 1.00 42.03 H new ATOM 0 HG LEU A 64 1.248 0.093 2.640 1.00 4.53 H new ATOM 0 HD11 LEU A 64 3.546 1.016 2.725 1.00 31.42 H new ATOM 0 HD12 LEU A 64 3.295 -0.267 3.933 1.00 31.42 H new ATOM 0 HD13 LEU A 64 4.203 -0.614 2.442 1.00 31.42 H new ATOM 0 HD21 LEU A 64 2.282 0.997 0.567 1.00 70.34 H new ATOM 0 HD22 LEU A 64 2.850 -0.637 0.149 1.00 70.34 H new ATOM 0 HD23 LEU A 64 1.106 -0.292 0.217 1.00 70.34 H new ATOM 1088 N LEU A 65 -0.822 -2.533 4.244 1.00 13.23 N ATOM 1089 CA LEU A 65 -2.110 -2.137 4.864 1.00 44.10 C ATOM 1090 C LEU A 65 -2.123 -2.415 6.389 1.00 54.25 C ATOM 1091 O LEU A 65 -2.828 -1.739 7.142 1.00 61.42 O ATOM 1092 CB LEU A 65 -3.263 -2.898 4.163 1.00 61.33 C ATOM 1093 CG LEU A 65 -3.328 -2.708 2.616 1.00 51.22 C ATOM 1094 CD1 LEU A 65 -4.291 -3.707 1.965 1.00 42.34 C ATOM 1095 CD2 LEU A 65 -3.689 -1.259 2.241 1.00 41.23 C ATOM 0 H LEU A 65 -0.896 -3.355 3.645 1.00 13.23 H new ATOM 0 HA LEU A 65 -2.243 -1.063 4.734 1.00 44.10 H new ATOM 0 HB2 LEU A 65 -3.162 -3.961 4.380 1.00 61.33 H new ATOM 0 HB3 LEU A 65 -4.209 -2.573 4.595 1.00 61.33 H new ATOM 0 HG LEU A 65 -2.332 -2.911 2.224 1.00 51.22 H new ATOM 0 HD11 LEU A 65 -4.310 -3.544 0.887 1.00 42.34 H new ATOM 0 HD12 LEU A 65 -3.956 -4.723 2.173 1.00 42.34 H new ATOM 0 HD13 LEU A 65 -5.292 -3.565 2.371 1.00 42.34 H new ATOM 0 HD21 LEU A 65 -3.726 -1.162 1.156 1.00 41.23 H new ATOM 0 HD22 LEU A 65 -4.663 -1.006 2.661 1.00 41.23 H new ATOM 0 HD23 LEU A 65 -2.935 -0.581 2.640 1.00 41.23 H new ATOM 1107 N ASN A 66 -1.339 -3.421 6.830 1.00 34.02 N ATOM 1108 CA ASN A 66 -1.175 -3.751 8.270 1.00 13.25 C ATOM 1109 C ASN A 66 -0.087 -2.869 8.951 1.00 14.11 C ATOM 1110 O ASN A 66 0.123 -2.976 10.170 1.00 11.44 O ATOM 1111 CB ASN A 66 -0.851 -5.259 8.449 1.00 13.14 C ATOM 1112 CG ASN A 66 -1.999 -6.178 8.010 1.00 2.53 C ATOM 1113 OD1 ASN A 66 -2.941 -6.414 8.757 1.00 63.05 O ATOM 1114 ND2 ASN A 66 -1.914 -6.738 6.823 1.00 2.32 N ATOM 0 H ASN A 66 -0.804 -4.026 6.207 1.00 34.02 H new ATOM 0 HA ASN A 66 -2.122 -3.534 8.764 1.00 13.25 H new ATOM 0 HB2 ASN A 66 0.042 -5.503 7.874 1.00 13.14 H new ATOM 0 HB3 ASN A 66 -0.619 -5.453 9.496 1.00 13.14 H new ATOM 0 HD21 ASN A 66 -2.640 -7.382 6.510 1.00 2.32 H new ATOM 0 HD22 ASN A 66 -1.122 -6.528 6.216 1.00 2.32 H new ATOM 1121 N GLU A 67 0.596 -2.004 8.169 1.00 14.03 N ATOM 1122 CA GLU A 67 1.557 -1.013 8.711 1.00 53.41 C ATOM 1123 C GLU A 67 0.817 0.265 9.178 1.00 13.12 C ATOM 1124 O GLU A 67 -0.350 0.500 8.820 1.00 21.11 O ATOM 1125 CB GLU A 67 2.636 -0.637 7.653 1.00 31.13 C ATOM 1126 CG GLU A 67 3.395 -1.821 7.020 1.00 44.21 C ATOM 1127 CD GLU A 67 4.134 -2.724 8.026 1.00 64.43 C ATOM 1128 OE1 GLU A 67 5.256 -2.361 8.448 1.00 22.55 O ATOM 1129 OE2 GLU A 67 3.621 -3.818 8.372 1.00 61.34 O ATOM 0 H GLU A 67 0.500 -1.971 7.154 1.00 14.03 H new ATOM 0 HA GLU A 67 2.055 -1.471 9.566 1.00 53.41 H new ATOM 0 HB2 GLU A 67 2.155 -0.070 6.856 1.00 31.13 H new ATOM 0 HB3 GLU A 67 3.362 0.027 8.122 1.00 31.13 H new ATOM 0 HG2 GLU A 67 2.687 -2.430 6.458 1.00 44.21 H new ATOM 0 HG3 GLU A 67 4.118 -1.430 6.304 1.00 44.21 H new ATOM 1136 N LEU A 68 1.514 1.093 9.973 1.00 33.41 N ATOM 1137 CA LEU A 68 0.946 2.342 10.533 1.00 51.25 C ATOM 1138 C LEU A 68 0.989 3.474 9.486 1.00 61.34 C ATOM 1139 O LEU A 68 2.009 3.683 8.838 1.00 71.35 O ATOM 1140 CB LEU A 68 1.674 2.760 11.844 1.00 52.11 C ATOM 1141 CG LEU A 68 1.349 1.930 13.128 1.00 31.23 C ATOM 1142 CD1 LEU A 68 -0.124 2.101 13.558 1.00 34.41 C ATOM 1143 CD2 LEU A 68 1.707 0.447 12.945 1.00 3.31 C ATOM 0 H LEU A 68 2.481 0.922 10.248 1.00 33.41 H new ATOM 0 HA LEU A 68 -0.097 2.153 10.788 1.00 51.25 H new ATOM 0 HB2 LEU A 68 2.748 2.706 11.668 1.00 52.11 H new ATOM 0 HB3 LEU A 68 1.436 3.804 12.046 1.00 52.11 H new ATOM 0 HG LEU A 68 1.972 2.323 13.932 1.00 31.23 H new ATOM 0 HD11 LEU A 68 -0.313 1.509 14.454 1.00 34.41 H new ATOM 0 HD12 LEU A 68 -0.322 3.152 13.769 1.00 34.41 H new ATOM 0 HD13 LEU A 68 -0.779 1.763 12.755 1.00 34.41 H new ATOM 0 HD21 LEU A 68 1.468 -0.100 13.857 1.00 3.31 H new ATOM 0 HD22 LEU A 68 1.135 0.035 12.114 1.00 3.31 H new ATOM 0 HD23 LEU A 68 2.772 0.353 12.734 1.00 3.31 H new ATOM 1155 N ASP A 69 -0.142 4.172 9.360 1.00 0.54 N ATOM 1156 CA ASP A 69 -0.408 5.199 8.311 1.00 24.45 C ATOM 1157 C ASP A 69 0.726 6.221 8.095 1.00 71.42 C ATOM 1158 O ASP A 69 1.248 6.332 6.979 1.00 23.02 O ATOM 1159 CB ASP A 69 -1.708 5.943 8.641 1.00 41.52 C ATOM 1160 CG ASP A 69 -2.891 4.993 8.661 1.00 13.34 C ATOM 1161 OD1 ASP A 69 -3.167 4.382 9.720 1.00 71.32 O ATOM 1162 OD2 ASP A 69 -3.540 4.832 7.618 1.00 34.35 O ATOM 0 H ASP A 69 -0.930 4.046 9.996 1.00 0.54 H new ATOM 0 HA ASP A 69 -0.488 4.646 7.375 1.00 24.45 H new ATOM 0 HB2 ASP A 69 -1.614 6.433 9.610 1.00 41.52 H new ATOM 0 HB3 ASP A 69 -1.879 6.727 7.903 1.00 41.52 H new ATOM 1167 N TRP A 70 1.101 6.965 9.157 1.00 43.30 N ATOM 1168 CA TRP A 70 2.187 7.967 9.071 1.00 74.33 C ATOM 1169 C TRP A 70 3.527 7.318 8.657 1.00 72.33 C ATOM 1170 O TRP A 70 4.270 7.913 7.895 1.00 43.15 O ATOM 1171 CB TRP A 70 2.348 8.762 10.398 1.00 25.33 C ATOM 1172 CG TRP A 70 1.346 9.887 10.567 1.00 44.24 C ATOM 1173 CD1 TRP A 70 0.318 9.969 11.469 1.00 22.23 C ATOM 1174 CD2 TRP A 70 1.287 11.097 9.783 1.00 53.25 C ATOM 1175 NE1 TRP A 70 -0.357 11.154 11.304 1.00 74.03 N ATOM 1176 CE2 TRP A 70 0.212 11.858 10.274 1.00 1.14 C ATOM 1177 CE3 TRP A 70 2.046 11.608 8.717 1.00 24.14 C ATOM 1178 CZ2 TRP A 70 -0.133 13.096 9.733 1.00 25.15 C ATOM 1179 CZ3 TRP A 70 1.702 12.837 8.181 1.00 44.21 C ATOM 1180 CH2 TRP A 70 0.622 13.569 8.690 1.00 4.12 C ATOM 0 H TRP A 70 0.671 6.892 10.079 1.00 43.30 H new ATOM 0 HA TRP A 70 1.901 8.675 8.293 1.00 74.33 H new ATOM 0 HB2 TRP A 70 2.250 8.073 11.237 1.00 25.33 H new ATOM 0 HB3 TRP A 70 3.355 9.176 10.442 1.00 25.33 H new ATOM 0 HD1 TRP A 70 0.074 9.214 12.201 1.00 22.23 H new ATOM 0 HE1 TRP A 70 -1.155 11.462 11.860 1.00 74.03 H new ATOM 0 HE3 TRP A 70 2.883 11.052 8.323 1.00 24.14 H new ATOM 0 HZ2 TRP A 70 -0.966 13.663 10.122 1.00 25.15 H new ATOM 0 HZ3 TRP A 70 2.275 13.237 7.358 1.00 44.21 H new ATOM 0 HH2 TRP A 70 0.379 14.526 8.252 1.00 4.12 H new ATOM 1191 N ASP A 71 3.782 6.077 9.112 1.00 41.11 N ATOM 1192 CA ASP A 71 5.026 5.337 8.794 1.00 44.53 C ATOM 1193 C ASP A 71 5.086 4.981 7.291 1.00 74.41 C ATOM 1194 O ASP A 71 6.094 5.221 6.643 1.00 65.43 O ATOM 1195 CB ASP A 71 5.123 4.064 9.665 1.00 61.21 C ATOM 1196 CG ASP A 71 5.127 4.390 11.164 1.00 72.15 C ATOM 1197 OD1 ASP A 71 4.105 4.905 11.667 1.00 34.33 O ATOM 1198 OD2 ASP A 71 6.147 4.162 11.848 1.00 2.53 O ATOM 0 H ASP A 71 3.137 5.558 9.708 1.00 41.11 H new ATOM 0 HA ASP A 71 5.879 5.978 9.018 1.00 44.53 H new ATOM 0 HB2 ASP A 71 4.284 3.406 9.440 1.00 61.21 H new ATOM 0 HB3 ASP A 71 6.032 3.519 9.410 1.00 61.21 H new ATOM 1203 N ILE A 72 3.966 4.440 6.757 1.00 72.43 N ATOM 1204 CA ILE A 72 3.762 4.187 5.298 1.00 44.23 C ATOM 1205 C ILE A 72 4.080 5.463 4.477 1.00 3.21 C ATOM 1206 O ILE A 72 4.819 5.434 3.488 1.00 12.33 O ATOM 1207 CB ILE A 72 2.260 3.773 5.007 1.00 21.35 C ATOM 1208 CG1 ILE A 72 1.846 2.508 5.820 1.00 44.41 C ATOM 1209 CG2 ILE A 72 1.992 3.565 3.490 1.00 41.44 C ATOM 1210 CD1 ILE A 72 0.349 2.210 5.821 1.00 60.21 C ATOM 0 H ILE A 72 3.167 4.162 7.326 1.00 72.43 H new ATOM 0 HA ILE A 72 4.432 3.378 5.007 1.00 44.23 H new ATOM 0 HB ILE A 72 1.639 4.606 5.337 1.00 21.35 H new ATOM 0 HG12 ILE A 72 2.374 1.644 5.415 1.00 44.41 H new ATOM 0 HG13 ILE A 72 2.179 2.631 6.851 1.00 44.41 H new ATOM 0 HG21 ILE A 72 0.950 3.283 3.340 1.00 41.44 H new ATOM 0 HG22 ILE A 72 2.198 4.491 2.954 1.00 41.44 H new ATOM 0 HG23 ILE A 72 2.640 2.775 3.111 1.00 41.44 H new ATOM 0 HD11 ILE A 72 0.157 1.314 6.411 1.00 60.21 H new ATOM 0 HD12 ILE A 72 -0.189 3.052 6.255 1.00 60.21 H new ATOM 0 HD13 ILE A 72 0.009 2.051 4.798 1.00 60.21 H new ATOM 1222 N TYR A 73 3.520 6.579 4.964 1.00 50.32 N ATOM 1223 CA TYR A 73 3.634 7.908 4.343 1.00 71.44 C ATOM 1224 C TYR A 73 5.085 8.457 4.411 1.00 71.24 C ATOM 1225 O TYR A 73 5.561 9.061 3.452 1.00 24.21 O ATOM 1226 CB TYR A 73 2.633 8.863 5.045 1.00 12.11 C ATOM 1227 CG TYR A 73 2.539 10.265 4.430 1.00 23.23 C ATOM 1228 CD1 TYR A 73 1.856 10.476 3.227 1.00 63.42 C ATOM 1229 CD2 TYR A 73 3.127 11.373 5.049 1.00 34.52 C ATOM 1230 CE1 TYR A 73 1.768 11.738 2.672 1.00 53.32 C ATOM 1231 CE2 TYR A 73 3.036 12.634 4.496 1.00 64.20 C ATOM 1232 CZ TYR A 73 2.357 12.812 3.313 1.00 34.25 C ATOM 1233 OH TYR A 73 2.262 14.071 2.764 1.00 41.03 O ATOM 0 H TYR A 73 2.963 6.584 5.819 1.00 50.32 H new ATOM 0 HA TYR A 73 3.390 7.832 3.283 1.00 71.44 H new ATOM 0 HB2 TYR A 73 1.643 8.407 5.026 1.00 12.11 H new ATOM 0 HB3 TYR A 73 2.919 8.960 6.092 1.00 12.11 H new ATOM 0 HD1 TYR A 73 1.391 9.640 2.725 1.00 63.42 H new ATOM 0 HD2 TYR A 73 3.662 11.239 5.977 1.00 34.52 H new ATOM 0 HE1 TYR A 73 1.241 11.885 1.741 1.00 53.32 H new ATOM 0 HE2 TYR A 73 3.496 13.477 4.990 1.00 64.20 H new ATOM 0 HH TYR A 73 1.449 14.130 2.220 1.00 41.03 H new ATOM 1243 N TYR A 74 5.782 8.221 5.542 1.00 73.12 N ATOM 1244 CA TYR A 74 7.178 8.685 5.749 1.00 53.22 C ATOM 1245 C TYR A 74 8.170 7.892 4.878 1.00 34.43 C ATOM 1246 O TYR A 74 9.067 8.475 4.286 1.00 75.13 O ATOM 1247 CB TYR A 74 7.592 8.597 7.243 1.00 50.25 C ATOM 1248 CG TYR A 74 6.887 9.605 8.173 1.00 70.23 C ATOM 1249 CD1 TYR A 74 6.644 10.923 7.767 1.00 25.22 C ATOM 1250 CD2 TYR A 74 6.480 9.244 9.463 1.00 42.52 C ATOM 1251 CE1 TYR A 74 6.028 11.829 8.608 1.00 14.51 C ATOM 1252 CE2 TYR A 74 5.860 10.148 10.304 1.00 74.31 C ATOM 1253 CZ TYR A 74 5.635 11.437 9.874 1.00 31.14 C ATOM 1254 OH TYR A 74 5.020 12.344 10.711 1.00 44.53 O ATOM 0 H TYR A 74 5.400 7.707 6.336 1.00 73.12 H new ATOM 0 HA TYR A 74 7.212 9.731 5.445 1.00 53.22 H new ATOM 0 HB2 TYR A 74 7.388 7.589 7.603 1.00 50.25 H new ATOM 0 HB3 TYR A 74 8.669 8.749 7.316 1.00 50.25 H new ATOM 0 HD1 TYR A 74 6.944 11.237 6.778 1.00 25.22 H new ATOM 0 HD2 TYR A 74 6.655 8.236 9.809 1.00 42.52 H new ATOM 0 HE1 TYR A 74 5.854 12.842 8.277 1.00 14.51 H new ATOM 0 HE2 TYR A 74 5.553 9.845 11.294 1.00 74.31 H new ATOM 0 HH TYR A 74 4.806 11.910 11.563 1.00 44.53 H new ATOM 1264 N TRP A 75 7.985 6.562 4.794 1.00 71.02 N ATOM 1265 CA TRP A 75 8.797 5.692 3.908 1.00 73.34 C ATOM 1266 C TRP A 75 8.571 6.070 2.422 1.00 73.53 C ATOM 1267 O TRP A 75 9.487 6.006 1.602 1.00 21.23 O ATOM 1268 CB TRP A 75 8.455 4.194 4.140 1.00 31.53 C ATOM 1269 CG TRP A 75 8.617 3.705 5.570 1.00 73.50 C ATOM 1270 CD1 TRP A 75 9.518 4.142 6.502 1.00 72.54 C ATOM 1271 CD2 TRP A 75 7.852 2.672 6.222 1.00 45.01 C ATOM 1272 NE1 TRP A 75 9.360 3.459 7.675 1.00 14.31 N ATOM 1273 CE2 TRP A 75 8.348 2.551 7.531 1.00 13.41 C ATOM 1274 CE3 TRP A 75 6.798 1.841 5.820 1.00 24.42 C ATOM 1275 CZ2 TRP A 75 7.824 1.646 8.450 1.00 52.30 C ATOM 1276 CZ3 TRP A 75 6.277 0.939 6.733 1.00 22.42 C ATOM 1277 CH2 TRP A 75 6.794 0.844 8.034 1.00 45.34 C ATOM 0 H TRP A 75 7.278 6.059 5.330 1.00 71.02 H new ATOM 0 HA TRP A 75 9.848 5.846 4.152 1.00 73.34 H new ATOM 0 HB2 TRP A 75 7.425 4.021 3.829 1.00 31.53 H new ATOM 0 HB3 TRP A 75 9.089 3.589 3.492 1.00 31.53 H new ATOM 0 HD1 TRP A 75 10.251 4.917 6.334 1.00 72.54 H new ATOM 0 HE1 TRP A 75 9.909 3.603 8.522 1.00 14.31 H new ATOM 0 HE3 TRP A 75 6.400 1.903 4.818 1.00 24.42 H new ATOM 0 HZ2 TRP A 75 8.215 1.579 9.454 1.00 52.30 H new ATOM 0 HZ3 TRP A 75 5.459 0.298 6.439 1.00 22.42 H new ATOM 0 HH2 TRP A 75 6.372 0.125 8.721 1.00 45.34 H new ATOM 1288 N ALA A 76 7.326 6.477 2.112 1.00 44.42 N ATOM 1289 CA ALA A 76 6.930 6.965 0.776 1.00 25.44 C ATOM 1290 C ALA A 76 7.525 8.366 0.446 1.00 22.02 C ATOM 1291 O ALA A 76 7.818 8.664 -0.717 1.00 60.44 O ATOM 1292 CB ALA A 76 5.404 6.984 0.676 1.00 22.23 C ATOM 0 H ALA A 76 6.560 6.477 2.786 1.00 44.42 H new ATOM 0 HA ALA A 76 7.340 6.279 0.035 1.00 25.44 H new ATOM 0 HB1 ALA A 76 5.108 7.344 -0.309 1.00 22.23 H new ATOM 0 HB2 ALA A 76 5.017 5.976 0.825 1.00 22.23 H new ATOM 0 HB3 ALA A 76 4.997 7.646 1.441 1.00 22.23 H new ATOM 1298 N THR A 77 7.701 9.215 1.481 1.00 65.33 N ATOM 1299 CA THR A 77 8.282 10.585 1.338 1.00 20.30 C ATOM 1300 C THR A 77 9.768 10.643 1.788 1.00 73.35 C ATOM 1301 O THR A 77 10.330 11.739 1.929 1.00 61.44 O ATOM 1302 CB THR A 77 7.454 11.645 2.152 1.00 1.04 C ATOM 1303 OG1 THR A 77 7.426 11.294 3.548 1.00 24.34 O ATOM 1304 CG2 THR A 77 6.011 11.786 1.628 1.00 74.52 C ATOM 0 H THR A 77 7.448 8.979 2.441 1.00 65.33 H new ATOM 0 HA THR A 77 8.234 10.826 0.276 1.00 20.30 H new ATOM 0 HB THR A 77 7.952 12.606 2.022 1.00 1.04 H new ATOM 0 HG1 THR A 77 6.719 10.634 3.705 1.00 24.34 H new ATOM 0 HG21 THR A 77 5.479 12.529 2.222 1.00 74.52 H new ATOM 0 HG22 THR A 77 6.032 12.102 0.585 1.00 74.52 H new ATOM 0 HG23 THR A 77 5.500 10.826 1.706 1.00 74.52 H new ATOM 1312 N LYS A 78 10.382 9.455 1.992 1.00 31.12 N ATOM 1313 CA LYS A 78 11.794 9.289 2.416 1.00 61.01 C ATOM 1314 C LYS A 78 12.118 10.065 3.737 1.00 65.23 C ATOM 1315 O LYS A 78 12.797 11.099 3.725 1.00 25.12 O ATOM 1316 CB LYS A 78 12.777 9.661 1.257 1.00 74.32 C ATOM 1317 CG LYS A 78 14.252 9.281 1.519 1.00 33.50 C ATOM 1318 CD LYS A 78 15.186 9.617 0.333 1.00 45.34 C ATOM 1319 CE LYS A 78 16.648 9.207 0.597 1.00 23.42 C ATOM 1320 NZ LYS A 78 17.537 9.553 -0.539 1.00 61.02 N ATOM 0 H LYS A 78 9.900 8.565 1.864 1.00 31.12 H new ATOM 0 HA LYS A 78 11.940 8.233 2.645 1.00 61.01 H new ATOM 0 HB2 LYS A 78 12.445 9.167 0.344 1.00 74.32 H new ATOM 0 HB3 LYS A 78 12.718 10.735 1.079 1.00 74.32 H new ATOM 0 HG2 LYS A 78 14.603 9.803 2.409 1.00 33.50 H new ATOM 0 HG3 LYS A 78 14.314 8.214 1.731 1.00 33.50 H new ATOM 0 HD2 LYS A 78 14.826 9.111 -0.563 1.00 45.34 H new ATOM 0 HD3 LYS A 78 15.143 10.688 0.133 1.00 45.34 H new ATOM 0 HE2 LYS A 78 17.005 9.701 1.500 1.00 23.42 H new ATOM 0 HE3 LYS A 78 16.696 8.134 0.781 1.00 23.42 H new ATOM 0 HZ1 LYS A 78 18.510 9.260 -0.320 1.00 61.02 H new ATOM 0 HZ2 LYS A 78 17.212 9.062 -1.396 1.00 61.02 H new ATOM 0 HZ3 LYS A 78 17.512 10.580 -0.699 1.00 61.02 H new ATOM 1334 N ASN A 79 11.579 9.573 4.864 1.00 12.34 N ATOM 1335 CA ASN A 79 11.816 10.148 6.213 1.00 60.43 C ATOM 1336 C ASN A 79 11.966 8.995 7.233 1.00 3.11 C ATOM 1337 O ASN A 79 10.980 8.379 7.648 1.00 45.05 O ATOM 1338 CB ASN A 79 10.657 11.107 6.617 1.00 65.32 C ATOM 1339 CG ASN A 79 10.928 11.941 7.882 1.00 45.30 C ATOM 1340 OD1 ASN A 79 11.688 11.555 8.771 1.00 12.41 O ATOM 1341 ND2 ASN A 79 10.284 13.090 7.988 1.00 61.22 N ATOM 0 H ASN A 79 10.962 8.761 4.873 1.00 12.34 H new ATOM 0 HA ASN A 79 12.734 10.736 6.201 1.00 60.43 H new ATOM 0 HB2 ASN A 79 10.457 11.784 5.787 1.00 65.32 H new ATOM 0 HB3 ASN A 79 9.753 10.518 6.772 1.00 65.32 H new ATOM 0 HD21 ASN A 79 10.413 13.672 8.816 1.00 61.22 H new ATOM 0 HD22 ASN A 79 9.658 13.395 7.242 1.00 61.22 H new ATOM 1348 N PHE A 80 13.220 8.708 7.617 1.00 44.22 N ATOM 1349 CA PHE A 80 13.570 7.559 8.486 1.00 1.13 C ATOM 1350 C PHE A 80 14.136 8.024 9.852 1.00 2.34 C ATOM 1351 O PHE A 80 14.551 7.205 10.679 1.00 21.03 O ATOM 1352 CB PHE A 80 14.556 6.635 7.722 1.00 14.41 C ATOM 1353 CG PHE A 80 14.072 6.293 6.309 1.00 72.01 C ATOM 1354 CD1 PHE A 80 12.960 5.478 6.114 1.00 31.21 C ATOM 1355 CD2 PHE A 80 14.704 6.820 5.180 1.00 31.12 C ATOM 1356 CE1 PHE A 80 12.502 5.196 4.840 1.00 62.44 C ATOM 1357 CE2 PHE A 80 14.244 6.531 3.909 1.00 72.21 C ATOM 1358 CZ PHE A 80 13.143 5.719 3.739 1.00 13.14 C ATOM 0 H PHE A 80 14.027 9.265 7.336 1.00 44.22 H new ATOM 0 HA PHE A 80 12.668 6.993 8.719 1.00 1.13 H new ATOM 0 HB2 PHE A 80 15.530 7.121 7.660 1.00 14.41 H new ATOM 0 HB3 PHE A 80 14.695 5.713 8.287 1.00 14.41 H new ATOM 0 HD1 PHE A 80 12.449 5.061 6.969 1.00 31.21 H new ATOM 0 HD2 PHE A 80 15.564 7.462 5.302 1.00 31.12 H new ATOM 0 HE1 PHE A 80 11.637 4.562 4.708 1.00 62.44 H new ATOM 0 HE2 PHE A 80 14.748 6.942 3.047 1.00 72.21 H new ATOM 0 HZ PHE A 80 12.784 5.494 2.746 1.00 13.14 H new ATOM 1368 N LYS A 81 14.119 9.352 10.075 1.00 20.15 N ATOM 1369 CA LYS A 81 14.488 9.979 11.360 1.00 22.24 C ATOM 1370 C LYS A 81 13.377 9.756 12.421 1.00 10.52 C ATOM 1371 O LYS A 81 13.662 9.522 13.600 1.00 3.21 O ATOM 1372 CB LYS A 81 14.730 11.494 11.127 1.00 3.53 C ATOM 1373 CG LYS A 81 15.124 12.297 12.385 1.00 51.33 C ATOM 1374 CD LYS A 81 15.375 13.788 12.071 1.00 1.31 C ATOM 1375 CE LYS A 81 15.758 14.612 13.312 1.00 71.34 C ATOM 1376 NZ LYS A 81 16.041 16.029 12.959 1.00 24.43 N ATOM 0 H LYS A 81 13.846 10.027 9.361 1.00 20.15 H new ATOM 0 HA LYS A 81 15.400 9.519 11.740 1.00 22.24 H new ATOM 0 HB2 LYS A 81 15.516 11.610 10.381 1.00 3.53 H new ATOM 0 HB3 LYS A 81 13.824 11.930 10.706 1.00 3.53 H new ATOM 0 HG2 LYS A 81 14.333 12.213 13.130 1.00 51.33 H new ATOM 0 HG3 LYS A 81 16.023 11.864 12.824 1.00 51.33 H new ATOM 0 HD2 LYS A 81 16.171 13.868 11.330 1.00 1.31 H new ATOM 0 HD3 LYS A 81 14.478 14.214 11.622 1.00 1.31 H new ATOM 0 HE2 LYS A 81 14.948 14.572 14.041 1.00 71.34 H new ATOM 0 HE3 LYS A 81 16.635 14.172 13.786 1.00 71.34 H new ATOM 0 HZ1 LYS A 81 16.296 16.557 13.818 1.00 24.43 H new ATOM 0 HZ2 LYS A 81 16.830 16.067 12.282 1.00 24.43 H new ATOM 0 HZ3 LYS A 81 15.195 16.455 12.529 1.00 24.43 H new ATOM 1390 N THR A 82 12.103 9.864 11.980 1.00 52.12 N ATOM 1391 CA THR A 82 10.912 9.644 12.847 1.00 21.15 C ATOM 1392 C THR A 82 10.339 8.208 12.694 1.00 61.45 C ATOM 1393 O THR A 82 9.819 7.632 13.658 1.00 72.32 O ATOM 1394 CB THR A 82 9.796 10.713 12.561 1.00 1.41 C ATOM 1395 OG1 THR A 82 8.640 10.483 13.392 1.00 54.24 O ATOM 1396 CG2 THR A 82 9.376 10.743 11.078 1.00 21.41 C ATOM 0 H THR A 82 11.867 10.105 11.017 1.00 52.12 H new ATOM 0 HA THR A 82 11.246 9.759 13.878 1.00 21.15 H new ATOM 0 HB THR A 82 10.227 11.685 12.802 1.00 1.41 H new ATOM 0 HG1 THR A 82 7.958 11.160 13.199 1.00 54.24 H new ATOM 0 HG21 THR A 82 8.603 11.498 10.934 1.00 21.41 H new ATOM 0 HG22 THR A 82 10.240 10.986 10.460 1.00 21.41 H new ATOM 0 HG23 THR A 82 8.987 9.766 10.790 1.00 21.41 H new ATOM 1404 N SER A 83 10.434 7.641 11.474 1.00 73.23 N ATOM 1405 CA SER A 83 9.972 6.257 11.178 1.00 52.44 C ATOM 1406 C SER A 83 11.024 5.498 10.336 1.00 52.11 C ATOM 1407 O SER A 83 11.018 5.606 9.107 1.00 52.14 O ATOM 1408 CB SER A 83 8.607 6.276 10.445 1.00 70.02 C ATOM 1409 OG SER A 83 7.594 6.836 11.265 1.00 41.21 O ATOM 0 H SER A 83 10.830 8.121 10.666 1.00 73.23 H new ATOM 0 HA SER A 83 9.845 5.735 12.126 1.00 52.44 H new ATOM 0 HB2 SER A 83 8.693 6.852 9.524 1.00 70.02 H new ATOM 0 HB3 SER A 83 8.329 5.261 10.161 1.00 70.02 H new ATOM 0 HG SER A 83 7.081 6.116 11.688 1.00 41.21 H new ATOM 1415 N PRO A 84 11.967 4.730 10.988 1.00 51.25 N ATOM 1416 CA PRO A 84 13.020 3.947 10.271 1.00 44.52 C ATOM 1417 C PRO A 84 12.434 2.831 9.364 1.00 3.22 C ATOM 1418 O PRO A 84 11.332 2.321 9.614 1.00 4.33 O ATOM 1419 CB PRO A 84 13.880 3.355 11.424 1.00 72.32 C ATOM 1420 CG PRO A 84 12.963 3.340 12.612 1.00 22.31 C ATOM 1421 CD PRO A 84 12.093 4.570 12.466 1.00 12.30 C ATOM 0 HA PRO A 84 13.592 4.569 9.583 1.00 44.52 H new ATOM 0 HB2 PRO A 84 14.231 2.352 11.182 1.00 72.32 H new ATOM 0 HB3 PRO A 84 14.763 3.965 11.613 1.00 72.32 H new ATOM 0 HG2 PRO A 84 12.360 2.432 12.631 1.00 22.31 H new ATOM 0 HG3 PRO A 84 13.528 3.367 13.544 1.00 22.31 H new ATOM 0 HD2 PRO A 84 11.121 4.433 12.940 1.00 12.30 H new ATOM 0 HD3 PRO A 84 12.552 5.444 12.927 1.00 12.30 H new ATOM 1429 N LEU A 85 13.191 2.457 8.320 1.00 63.13 N ATOM 1430 CA LEU A 85 12.742 1.484 7.305 1.00 22.42 C ATOM 1431 C LEU A 85 13.120 0.026 7.698 1.00 52.02 C ATOM 1432 O LEU A 85 14.302 -0.258 7.928 1.00 42.34 O ATOM 1433 CB LEU A 85 13.377 1.840 5.934 1.00 21.24 C ATOM 1434 CG LEU A 85 12.795 1.090 4.702 1.00 21.05 C ATOM 1435 CD1 LEU A 85 11.290 1.391 4.538 1.00 25.14 C ATOM 1436 CD2 LEU A 85 13.582 1.436 3.414 1.00 62.22 C ATOM 0 H LEU A 85 14.130 2.819 8.154 1.00 63.13 H new ATOM 0 HA LEU A 85 11.655 1.539 7.240 1.00 22.42 H new ATOM 0 HB2 LEU A 85 13.264 2.912 5.770 1.00 21.24 H new ATOM 0 HB3 LEU A 85 14.447 1.637 5.987 1.00 21.24 H new ATOM 0 HG LEU A 85 12.905 0.020 4.875 1.00 21.05 H new ATOM 0 HD11 LEU A 85 10.904 0.856 3.670 1.00 25.14 H new ATOM 0 HD12 LEU A 85 10.755 1.068 5.431 1.00 25.14 H new ATOM 0 HD13 LEU A 85 11.146 2.462 4.397 1.00 25.14 H new ATOM 0 HD21 LEU A 85 13.153 0.897 2.569 1.00 62.22 H new ATOM 0 HD22 LEU A 85 13.523 2.508 3.228 1.00 62.22 H new ATOM 0 HD23 LEU A 85 14.626 1.146 3.536 1.00 62.22 H new ATOM 1448 N PRO A 86 12.124 -0.916 7.791 1.00 75.20 N ATOM 1449 CA PRO A 86 12.404 -2.368 7.967 1.00 64.54 C ATOM 1450 C PRO A 86 13.019 -3.018 6.694 1.00 12.34 C ATOM 1451 O PRO A 86 12.776 -2.554 5.573 1.00 53.42 O ATOM 1452 CB PRO A 86 11.002 -2.977 8.294 1.00 51.13 C ATOM 1453 CG PRO A 86 10.121 -1.796 8.608 1.00 31.34 C ATOM 1454 CD PRO A 86 10.664 -0.658 7.775 1.00 42.41 C ATOM 0 HA PRO A 86 13.144 -2.548 8.747 1.00 64.54 H new ATOM 0 HB2 PRO A 86 10.613 -3.545 7.449 1.00 51.13 H new ATOM 0 HB3 PRO A 86 11.058 -3.662 9.140 1.00 51.13 H new ATOM 0 HG2 PRO A 86 9.081 -2.004 8.358 1.00 31.34 H new ATOM 0 HG3 PRO A 86 10.151 -1.555 9.670 1.00 31.34 H new ATOM 0 HD2 PRO A 86 10.261 -0.668 6.762 1.00 42.41 H new ATOM 0 HD3 PRO A 86 10.419 0.313 8.206 1.00 42.41 H new ATOM 1462 N ASP A 87 13.802 -4.103 6.891 1.00 44.05 N ATOM 1463 CA ASP A 87 14.440 -4.883 5.791 1.00 44.53 C ATOM 1464 C ASP A 87 13.397 -5.443 4.789 1.00 15.01 C ATOM 1465 O ASP A 87 13.673 -5.547 3.585 1.00 34.21 O ATOM 1466 CB ASP A 87 15.290 -6.044 6.374 1.00 44.32 C ATOM 1467 CG ASP A 87 16.418 -5.543 7.288 1.00 24.54 C ATOM 1468 OD1 ASP A 87 16.157 -5.271 8.478 1.00 1.40 O ATOM 1469 OD2 ASP A 87 17.568 -5.402 6.816 1.00 64.24 O ATOM 0 H ASP A 87 14.014 -4.469 7.819 1.00 44.05 H new ATOM 0 HA ASP A 87 15.087 -4.197 5.244 1.00 44.53 H new ATOM 0 HB2 ASP A 87 14.643 -6.718 6.936 1.00 44.32 H new ATOM 0 HB3 ASP A 87 15.719 -6.623 5.556 1.00 44.32 H new ATOM 1474 N LYS A 88 12.194 -5.775 5.312 1.00 33.53 N ATOM 1475 CA LYS A 88 11.066 -6.301 4.504 1.00 75.13 C ATOM 1476 C LYS A 88 10.561 -5.275 3.452 1.00 1.24 C ATOM 1477 O LYS A 88 9.977 -5.657 2.435 1.00 61.03 O ATOM 1478 CB LYS A 88 9.896 -6.750 5.428 1.00 63.12 C ATOM 1479 CG LYS A 88 9.234 -5.616 6.246 1.00 24.24 C ATOM 1480 CD LYS A 88 8.019 -6.101 7.079 1.00 13.24 C ATOM 1481 CE LYS A 88 7.298 -4.950 7.801 1.00 53.01 C ATOM 1482 NZ LYS A 88 6.035 -5.392 8.447 1.00 72.11 N ATOM 0 H LYS A 88 11.977 -5.686 6.305 1.00 33.53 H new ATOM 0 HA LYS A 88 11.442 -7.165 3.956 1.00 75.13 H new ATOM 0 HB2 LYS A 88 9.132 -7.228 4.815 1.00 63.12 H new ATOM 0 HB3 LYS A 88 10.269 -7.506 6.119 1.00 63.12 H new ATOM 0 HG2 LYS A 88 9.975 -5.178 6.915 1.00 24.24 H new ATOM 0 HG3 LYS A 88 8.911 -4.827 5.567 1.00 24.24 H new ATOM 0 HD2 LYS A 88 7.314 -6.611 6.423 1.00 13.24 H new ATOM 0 HD3 LYS A 88 8.356 -6.832 7.814 1.00 13.24 H new ATOM 0 HE2 LYS A 88 7.960 -4.526 8.556 1.00 53.01 H new ATOM 0 HE3 LYS A 88 7.080 -4.156 7.087 1.00 53.01 H new ATOM 0 HZ1 LYS A 88 5.226 -5.103 7.861 1.00 72.11 H new ATOM 0 HZ2 LYS A 88 6.039 -6.427 8.545 1.00 72.11 H new ATOM 0 HZ3 LYS A 88 5.955 -4.955 9.387 1.00 72.11 H new ATOM 1496 N TRP A 89 10.776 -3.969 3.721 1.00 44.21 N ATOM 1497 CA TRP A 89 10.437 -2.879 2.775 1.00 74.41 C ATOM 1498 C TRP A 89 11.675 -2.364 2.010 1.00 12.24 C ATOM 1499 O TRP A 89 11.546 -1.869 0.885 1.00 45.51 O ATOM 1500 CB TRP A 89 9.727 -1.716 3.515 1.00 10.11 C ATOM 1501 CG TRP A 89 8.398 -2.100 4.140 1.00 60.34 C ATOM 1502 CD1 TRP A 89 8.011 -1.924 5.439 1.00 51.51 C ATOM 1503 CD2 TRP A 89 7.292 -2.742 3.482 1.00 33.44 C ATOM 1504 NE1 TRP A 89 6.742 -2.405 5.623 1.00 34.31 N ATOM 1505 CE2 TRP A 89 6.284 -2.918 4.441 1.00 13.33 C ATOM 1506 CE3 TRP A 89 7.058 -3.184 2.172 1.00 14.44 C ATOM 1507 CZ2 TRP A 89 5.070 -3.521 4.136 1.00 72.55 C ATOM 1508 CZ3 TRP A 89 5.857 -3.777 1.872 1.00 53.01 C ATOM 1509 CH2 TRP A 89 4.875 -3.943 2.848 1.00 4.53 C ATOM 0 H TRP A 89 11.187 -3.640 4.595 1.00 44.21 H new ATOM 0 HA TRP A 89 9.753 -3.295 2.035 1.00 74.41 H new ATOM 0 HB2 TRP A 89 10.388 -1.339 4.295 1.00 10.11 H new ATOM 0 HB3 TRP A 89 9.564 -0.899 2.813 1.00 10.11 H new ATOM 0 HD1 TRP A 89 8.618 -1.471 6.209 1.00 51.51 H new ATOM 0 HE1 TRP A 89 6.222 -2.384 6.500 1.00 34.31 H new ATOM 0 HE3 TRP A 89 7.813 -3.060 1.409 1.00 14.44 H new ATOM 0 HZ2 TRP A 89 4.307 -3.652 4.889 1.00 72.55 H new ATOM 0 HZ3 TRP A 89 5.670 -4.120 0.865 1.00 53.01 H new ATOM 0 HH2 TRP A 89 3.940 -4.415 2.582 1.00 4.53 H new ATOM 1520 N ALA A 90 12.869 -2.503 2.617 1.00 74.34 N ATOM 1521 CA ALA A 90 14.149 -2.044 2.018 1.00 55.41 C ATOM 1522 C ALA A 90 14.466 -2.754 0.678 1.00 20.35 C ATOM 1523 O ALA A 90 15.092 -2.173 -0.213 1.00 62.15 O ATOM 1524 CB ALA A 90 15.295 -2.248 3.018 1.00 63.44 C ATOM 0 H ALA A 90 12.980 -2.935 3.534 1.00 74.34 H new ATOM 0 HA ALA A 90 14.043 -0.983 1.794 1.00 55.41 H new ATOM 0 HB1 ALA A 90 16.231 -1.910 2.573 1.00 63.44 H new ATOM 0 HB2 ALA A 90 15.095 -1.674 3.923 1.00 63.44 H new ATOM 0 HB3 ALA A 90 15.374 -3.306 3.270 1.00 63.44 H new ATOM 1530 N ASN A 91 14.030 -4.022 0.551 1.00 10.41 N ATOM 1531 CA ASN A 91 14.216 -4.833 -0.682 1.00 40.34 C ATOM 1532 C ASN A 91 12.899 -4.980 -1.496 1.00 70.42 C ATOM 1533 O ASN A 91 12.882 -5.644 -2.536 1.00 64.35 O ATOM 1534 CB ASN A 91 14.753 -6.236 -0.298 1.00 41.04 C ATOM 1535 CG ASN A 91 16.050 -6.215 0.530 1.00 41.53 C ATOM 1536 OD1 ASN A 91 16.264 -7.080 1.368 1.00 32.15 O ATOM 1537 ND2 ASN A 91 16.934 -5.255 0.294 1.00 14.11 N ATOM 0 H ASN A 91 13.539 -4.518 1.295 1.00 10.41 H new ATOM 0 HA ASN A 91 14.933 -4.312 -1.316 1.00 40.34 H new ATOM 0 HB2 ASN A 91 13.984 -6.764 0.266 1.00 41.04 H new ATOM 0 HB3 ASN A 91 14.928 -6.807 -1.210 1.00 41.04 H new ATOM 0 HD21 ASN A 91 17.810 -5.229 0.815 1.00 14.11 H new ATOM 0 HD22 ASN A 91 16.738 -4.542 -0.409 1.00 14.11 H new ATOM 1544 N SER A 92 11.807 -4.344 -1.029 1.00 4.13 N ATOM 1545 CA SER A 92 10.445 -4.553 -1.593 1.00 74.43 C ATOM 1546 C SER A 92 10.192 -3.723 -2.868 1.00 75.42 C ATOM 1547 O SER A 92 10.377 -2.502 -2.872 1.00 74.20 O ATOM 1548 CB SER A 92 9.360 -4.214 -0.545 1.00 14.41 C ATOM 1549 OG SER A 92 8.046 -4.422 -1.055 1.00 10.30 O ATOM 0 H SER A 92 11.835 -3.676 -0.258 1.00 4.13 H new ATOM 0 HA SER A 92 10.387 -5.607 -1.863 1.00 74.43 H new ATOM 0 HB2 SER A 92 9.507 -4.830 0.342 1.00 14.41 H new ATOM 0 HB3 SER A 92 9.468 -3.175 -0.233 1.00 14.41 H new ATOM 0 HG SER A 92 7.391 -4.273 -0.342 1.00 10.30 H new ATOM 1555 N LYS A 93 9.732 -4.416 -3.931 1.00 13.21 N ATOM 1556 CA LYS A 93 9.255 -3.793 -5.195 1.00 2.20 C ATOM 1557 C LYS A 93 8.050 -2.861 -4.928 1.00 53.24 C ATOM 1558 O LYS A 93 7.942 -1.787 -5.515 1.00 60.40 O ATOM 1559 CB LYS A 93 8.853 -4.911 -6.205 1.00 3.30 C ATOM 1560 CG LYS A 93 8.318 -4.430 -7.580 1.00 33.32 C ATOM 1561 CD LYS A 93 9.360 -3.629 -8.396 1.00 52.32 C ATOM 1562 CE LYS A 93 8.845 -3.257 -9.800 1.00 13.50 C ATOM 1563 NZ LYS A 93 9.851 -2.497 -10.582 1.00 50.24 N ATOM 0 H LYS A 93 9.679 -5.435 -3.941 1.00 13.21 H new ATOM 0 HA LYS A 93 10.061 -3.193 -5.617 1.00 2.20 H new ATOM 0 HB2 LYS A 93 9.722 -5.545 -6.378 1.00 3.30 H new ATOM 0 HB3 LYS A 93 8.090 -5.535 -5.740 1.00 3.30 H new ATOM 0 HG2 LYS A 93 7.999 -5.295 -8.161 1.00 33.32 H new ATOM 0 HG3 LYS A 93 7.436 -3.810 -7.422 1.00 33.32 H new ATOM 0 HD2 LYS A 93 9.621 -2.720 -7.855 1.00 52.32 H new ATOM 0 HD3 LYS A 93 10.273 -4.216 -8.491 1.00 52.32 H new ATOM 0 HE2 LYS A 93 8.578 -4.166 -10.340 1.00 13.50 H new ATOM 0 HE3 LYS A 93 7.936 -2.663 -9.706 1.00 13.50 H new ATOM 0 HZ1 LYS A 93 9.462 -2.268 -11.519 1.00 50.24 H new ATOM 0 HZ2 LYS A 93 10.088 -1.617 -10.081 1.00 50.24 H new ATOM 0 HZ3 LYS A 93 10.710 -3.072 -10.695 1.00 50.24 H new ATOM 1577 N LEU A 94 7.173 -3.302 -4.008 1.00 33.03 N ATOM 1578 CA LEU A 94 5.951 -2.574 -3.618 1.00 54.03 C ATOM 1579 C LEU A 94 6.254 -1.154 -3.082 1.00 73.22 C ATOM 1580 O LEU A 94 5.612 -0.185 -3.490 1.00 0.04 O ATOM 1581 CB LEU A 94 5.200 -3.360 -2.522 1.00 13.44 C ATOM 1582 CG LEU A 94 3.838 -2.744 -2.074 1.00 4.40 C ATOM 1583 CD1 LEU A 94 2.735 -2.961 -3.129 1.00 2.41 C ATOM 1584 CD2 LEU A 94 3.421 -3.262 -0.697 1.00 31.13 C ATOM 0 H LEU A 94 7.294 -4.183 -3.509 1.00 33.03 H new ATOM 0 HA LEU A 94 5.341 -2.477 -4.516 1.00 54.03 H new ATOM 0 HB2 LEU A 94 5.021 -4.373 -2.883 1.00 13.44 H new ATOM 0 HB3 LEU A 94 5.847 -3.442 -1.649 1.00 13.44 H new ATOM 0 HG LEU A 94 3.980 -1.667 -1.987 1.00 4.40 H new ATOM 0 HD11 LEU A 94 1.803 -2.517 -2.778 1.00 2.41 H new ATOM 0 HD12 LEU A 94 3.031 -2.490 -4.067 1.00 2.41 H new ATOM 0 HD13 LEU A 94 2.590 -4.029 -3.289 1.00 2.41 H new ATOM 0 HD21 LEU A 94 2.469 -2.814 -0.413 1.00 31.13 H new ATOM 0 HD22 LEU A 94 3.316 -4.346 -0.733 1.00 31.13 H new ATOM 0 HD23 LEU A 94 4.181 -2.995 0.038 1.00 31.13 H new ATOM 1596 N LEU A 95 7.232 -1.061 -2.150 1.00 51.12 N ATOM 1597 CA LEU A 95 7.637 0.228 -1.535 1.00 1.25 C ATOM 1598 C LEU A 95 8.191 1.207 -2.597 1.00 13.21 C ATOM 1599 O LEU A 95 7.920 2.407 -2.549 1.00 33.41 O ATOM 1600 CB LEU A 95 8.706 0.019 -0.432 1.00 63.40 C ATOM 1601 CG LEU A 95 9.141 1.330 0.314 1.00 22.22 C ATOM 1602 CD1 LEU A 95 8.038 1.836 1.270 1.00 41.01 C ATOM 1603 CD2 LEU A 95 10.494 1.164 1.029 1.00 15.54 C ATOM 0 H LEU A 95 7.757 -1.865 -1.806 1.00 51.12 H new ATOM 0 HA LEU A 95 6.741 0.656 -1.085 1.00 1.25 H new ATOM 0 HB2 LEU A 95 8.319 -0.689 0.301 1.00 63.40 H new ATOM 0 HB3 LEU A 95 9.588 -0.437 -0.881 1.00 63.40 H new ATOM 0 HG LEU A 95 9.281 2.099 -0.446 1.00 22.22 H new ATOM 0 HD11 LEU A 95 8.377 2.745 1.768 1.00 41.01 H new ATOM 0 HD12 LEU A 95 7.133 2.049 0.701 1.00 41.01 H new ATOM 0 HD13 LEU A 95 7.825 1.071 2.017 1.00 41.01 H new ATOM 0 HD21 LEU A 95 10.756 2.095 1.532 1.00 15.54 H new ATOM 0 HD22 LEU A 95 10.421 0.362 1.764 1.00 15.54 H new ATOM 0 HD23 LEU A 95 11.264 0.917 0.298 1.00 15.54 H new ATOM 1615 N LYS A 96 8.978 0.663 -3.542 1.00 70.01 N ATOM 1616 CA LYS A 96 9.557 1.434 -4.669 1.00 31.13 C ATOM 1617 C LYS A 96 8.435 2.035 -5.552 1.00 12.40 C ATOM 1618 O LYS A 96 8.419 3.232 -5.816 1.00 1.33 O ATOM 1619 CB LYS A 96 10.480 0.516 -5.503 1.00 65.22 C ATOM 1620 CG LYS A 96 11.648 -0.102 -4.706 1.00 63.13 C ATOM 1621 CD LYS A 96 12.429 -1.165 -5.518 1.00 1.25 C ATOM 1622 CE LYS A 96 13.597 -1.780 -4.724 1.00 10.03 C ATOM 1623 NZ LYS A 96 14.627 -0.767 -4.372 1.00 20.20 N ATOM 0 H LYS A 96 9.234 -0.324 -3.550 1.00 70.01 H new ATOM 0 HA LYS A 96 10.146 2.260 -4.271 1.00 31.13 H new ATOM 0 HB2 LYS A 96 9.882 -0.288 -5.932 1.00 65.22 H new ATOM 0 HB3 LYS A 96 10.887 1.089 -6.336 1.00 65.22 H new ATOM 0 HG2 LYS A 96 12.332 0.689 -4.399 1.00 63.13 H new ATOM 0 HG3 LYS A 96 11.260 -0.559 -3.796 1.00 63.13 H new ATOM 0 HD2 LYS A 96 11.746 -1.957 -5.823 1.00 1.25 H new ATOM 0 HD3 LYS A 96 12.815 -0.709 -6.429 1.00 1.25 H new ATOM 0 HE2 LYS A 96 13.214 -2.239 -3.813 1.00 10.03 H new ATOM 0 HE3 LYS A 96 14.056 -2.575 -5.312 1.00 10.03 H new ATOM 0 HZ1 LYS A 96 15.441 -1.239 -3.929 1.00 20.20 H new ATOM 0 HZ2 LYS A 96 14.939 -0.275 -5.234 1.00 20.20 H new ATOM 0 HZ3 LYS A 96 14.223 -0.077 -3.707 1.00 20.20 H new ATOM 1637 N GLN A 97 7.470 1.174 -5.933 1.00 5.53 N ATOM 1638 CA GLN A 97 6.262 1.562 -6.708 1.00 41.54 C ATOM 1639 C GLN A 97 5.387 2.583 -5.934 1.00 71.31 C ATOM 1640 O GLN A 97 4.748 3.446 -6.537 1.00 13.42 O ATOM 1641 CB GLN A 97 5.424 0.288 -7.037 1.00 21.10 C ATOM 1642 CG GLN A 97 6.086 -0.711 -8.018 1.00 3.13 C ATOM 1643 CD GLN A 97 6.103 -0.230 -9.477 1.00 44.24 C ATOM 1644 OE1 GLN A 97 5.184 -0.503 -10.248 1.00 3.13 O ATOM 1645 NE2 GLN A 97 7.134 0.493 -9.865 1.00 22.12 N ATOM 0 H GLN A 97 7.503 0.179 -5.712 1.00 5.53 H new ATOM 0 HA GLN A 97 6.591 2.040 -7.631 1.00 41.54 H new ATOM 0 HB2 GLN A 97 5.208 -0.234 -6.105 1.00 21.10 H new ATOM 0 HB3 GLN A 97 4.468 0.602 -7.456 1.00 21.10 H new ATOM 0 HG2 GLN A 97 7.110 -0.898 -7.695 1.00 3.13 H new ATOM 0 HG3 GLN A 97 5.557 -1.662 -7.965 1.00 3.13 H new ATOM 0 HE21 GLN A 97 7.884 0.706 -9.207 1.00 22.12 H new ATOM 0 HE22 GLN A 97 7.182 0.839 -10.823 1.00 22.12 H new ATOM 1654 N LEU A 98 5.358 2.444 -4.591 1.00 22.01 N ATOM 1655 CA LEU A 98 4.605 3.347 -3.684 1.00 54.14 C ATOM 1656 C LEU A 98 5.213 4.769 -3.666 1.00 33.34 C ATOM 1657 O LEU A 98 4.485 5.758 -3.707 1.00 32.32 O ATOM 1658 CB LEU A 98 4.587 2.768 -2.243 1.00 22.11 C ATOM 1659 CG LEU A 98 3.713 3.547 -1.206 1.00 65.31 C ATOM 1660 CD1 LEU A 98 2.209 3.406 -1.534 1.00 41.14 C ATOM 1661 CD2 LEU A 98 4.030 3.105 0.240 1.00 21.51 C ATOM 0 H LEU A 98 5.856 1.701 -4.101 1.00 22.01 H new ATOM 0 HA LEU A 98 3.585 3.418 -4.061 1.00 54.14 H new ATOM 0 HB2 LEU A 98 4.230 1.739 -2.290 1.00 22.11 H new ATOM 0 HB3 LEU A 98 5.612 2.734 -1.873 1.00 22.11 H new ATOM 0 HG LEU A 98 3.965 4.605 -1.279 1.00 65.31 H new ATOM 0 HD11 LEU A 98 1.623 3.957 -0.798 1.00 41.14 H new ATOM 0 HD12 LEU A 98 2.014 3.808 -2.528 1.00 41.14 H new ATOM 0 HD13 LEU A 98 1.928 2.353 -1.507 1.00 41.14 H new ATOM 0 HD21 LEU A 98 3.406 3.665 0.937 1.00 21.51 H new ATOM 0 HD22 LEU A 98 3.828 2.039 0.347 1.00 21.51 H new ATOM 0 HD23 LEU A 98 5.080 3.298 0.458 1.00 21.51 H new ATOM 1673 N GLN A 99 6.556 4.841 -3.577 1.00 4.21 N ATOM 1674 CA GLN A 99 7.316 6.115 -3.640 1.00 51.34 C ATOM 1675 C GLN A 99 7.174 6.789 -5.026 1.00 54.25 C ATOM 1676 O GLN A 99 7.075 8.015 -5.123 1.00 12.03 O ATOM 1677 CB GLN A 99 8.812 5.869 -3.305 1.00 11.13 C ATOM 1678 CG GLN A 99 9.066 5.396 -1.856 1.00 40.13 C ATOM 1679 CD GLN A 99 10.542 5.191 -1.508 1.00 64.32 C ATOM 1680 OE1 GLN A 99 11.429 5.825 -2.070 1.00 22.14 O ATOM 1681 NE2 GLN A 99 10.818 4.326 -0.550 1.00 64.21 N ATOM 0 H GLN A 99 7.149 4.019 -3.459 1.00 4.21 H new ATOM 0 HA GLN A 99 6.896 6.793 -2.897 1.00 51.34 H new ATOM 0 HB2 GLN A 99 9.209 5.123 -3.994 1.00 11.13 H new ATOM 0 HB3 GLN A 99 9.368 6.791 -3.477 1.00 11.13 H new ATOM 0 HG2 GLN A 99 8.641 6.127 -1.168 1.00 40.13 H new ATOM 0 HG3 GLN A 99 8.533 4.459 -1.694 1.00 40.13 H new ATOM 0 HE21 GLN A 99 10.064 3.810 -0.096 1.00 64.21 H new ATOM 0 HE22 GLN A 99 11.785 4.174 -0.263 1.00 64.21 H new ATOM 1690 N GLU A 100 7.152 5.962 -6.088 1.00 42.01 N ATOM 1691 CA GLU A 100 6.899 6.421 -7.475 1.00 51.02 C ATOM 1692 C GLU A 100 5.452 6.940 -7.634 1.00 73.23 C ATOM 1693 O GLU A 100 5.204 7.903 -8.366 1.00 45.55 O ATOM 1694 CB GLU A 100 7.187 5.272 -8.478 1.00 35.14 C ATOM 1695 CG GLU A 100 8.668 4.843 -8.526 1.00 51.32 C ATOM 1696 CD GLU A 100 8.933 3.694 -9.510 1.00 51.45 C ATOM 1697 OE1 GLU A 100 9.013 3.957 -10.732 1.00 41.43 O ATOM 1698 OE2 GLU A 100 9.056 2.530 -9.080 1.00 4.44 O ATOM 0 H GLU A 100 7.308 4.957 -6.013 1.00 42.01 H new ATOM 0 HA GLU A 100 7.573 7.250 -7.691 1.00 51.02 H new ATOM 0 HB2 GLU A 100 6.577 4.409 -8.212 1.00 35.14 H new ATOM 0 HB3 GLU A 100 6.877 5.586 -9.475 1.00 35.14 H new ATOM 0 HG2 GLU A 100 9.279 5.701 -8.806 1.00 51.32 H new ATOM 0 HG3 GLU A 100 8.984 4.539 -7.528 1.00 51.32 H new ATOM 1705 N PHE A 101 4.502 6.303 -6.923 1.00 34.14 N ATOM 1706 CA PHE A 101 3.102 6.772 -6.869 1.00 40.22 C ATOM 1707 C PHE A 101 2.990 8.064 -6.026 1.00 51.23 C ATOM 1708 O PHE A 101 2.189 8.922 -6.341 1.00 24.12 O ATOM 1709 CB PHE A 101 2.143 5.674 -6.329 1.00 34.24 C ATOM 1710 CG PHE A 101 0.676 6.120 -6.315 1.00 14.41 C ATOM 1711 CD1 PHE A 101 -0.031 6.278 -7.506 1.00 71.20 C ATOM 1712 CD2 PHE A 101 0.026 6.452 -5.128 1.00 55.31 C ATOM 1713 CE1 PHE A 101 -1.330 6.740 -7.505 1.00 43.20 C ATOM 1714 CE2 PHE A 101 -1.273 6.927 -5.140 1.00 71.22 C ATOM 1715 CZ PHE A 101 -1.948 7.069 -6.325 1.00 23.15 C ATOM 0 H PHE A 101 4.678 5.460 -6.376 1.00 34.14 H new ATOM 0 HA PHE A 101 2.794 6.997 -7.890 1.00 40.22 H new ATOM 0 HB2 PHE A 101 2.240 4.779 -6.944 1.00 34.24 H new ATOM 0 HB3 PHE A 101 2.444 5.400 -5.318 1.00 34.24 H new ATOM 0 HD1 PHE A 101 0.446 6.035 -8.444 1.00 71.20 H new ATOM 0 HD2 PHE A 101 0.543 6.337 -4.187 1.00 55.31 H new ATOM 0 HE1 PHE A 101 -1.864 6.843 -8.438 1.00 43.20 H new ATOM 0 HE2 PHE A 101 -1.758 7.187 -4.211 1.00 71.22 H new ATOM 0 HZ PHE A 101 -2.963 7.439 -6.330 1.00 23.15 H new ATOM 1725 N SER A 102 3.805 8.197 -4.960 1.00 5.14 N ATOM 1726 CA SER A 102 3.851 9.439 -4.126 1.00 53.12 C ATOM 1727 C SER A 102 4.271 10.662 -4.965 1.00 44.20 C ATOM 1728 O SER A 102 3.831 11.786 -4.712 1.00 11.35 O ATOM 1729 CB SER A 102 4.817 9.272 -2.938 1.00 72.44 C ATOM 1730 OG SER A 102 4.402 8.227 -2.087 1.00 54.40 O ATOM 0 H SER A 102 4.444 7.466 -4.648 1.00 5.14 H new ATOM 0 HA SER A 102 2.844 9.607 -3.743 1.00 53.12 H new ATOM 0 HB2 SER A 102 5.821 9.066 -3.308 1.00 72.44 H new ATOM 0 HB3 SER A 102 4.870 10.204 -2.375 1.00 72.44 H new ATOM 0 HG SER A 102 4.426 7.378 -2.576 1.00 54.40 H new ATOM 1736 N GLU A 103 5.132 10.412 -5.964 1.00 51.24 N ATOM 1737 CA GLU A 103 5.545 11.427 -6.952 1.00 72.22 C ATOM 1738 C GLU A 103 4.428 11.693 -7.999 1.00 33.30 C ATOM 1739 O GLU A 103 4.286 12.813 -8.484 1.00 30.51 O ATOM 1740 CB GLU A 103 6.858 10.969 -7.646 1.00 0.12 C ATOM 1741 CG GLU A 103 8.062 10.784 -6.687 1.00 54.02 C ATOM 1742 CD GLU A 103 8.580 12.100 -6.063 1.00 15.12 C ATOM 1743 OE1 GLU A 103 8.018 12.565 -5.041 1.00 31.14 O ATOM 1744 OE2 GLU A 103 9.555 12.683 -6.590 1.00 53.01 O ATOM 0 H GLU A 103 5.563 9.500 -6.112 1.00 51.24 H new ATOM 0 HA GLU A 103 5.723 12.367 -6.430 1.00 72.22 H new ATOM 0 HB2 GLU A 103 6.672 10.027 -8.161 1.00 0.12 H new ATOM 0 HB3 GLU A 103 7.126 11.701 -8.408 1.00 0.12 H new ATOM 0 HG2 GLU A 103 7.773 10.104 -5.886 1.00 54.02 H new ATOM 0 HG3 GLU A 103 8.877 10.307 -7.232 1.00 54.02 H new ATOM 1751 N ASN A 104 3.650 10.642 -8.338 1.00 13.11 N ATOM 1752 CA ASN A 104 2.582 10.690 -9.378 1.00 2.03 C ATOM 1753 C ASN A 104 1.161 10.402 -8.806 1.00 52.42 C ATOM 1754 O ASN A 104 0.366 9.703 -9.444 1.00 73.42 O ATOM 1755 CB ASN A 104 2.929 9.684 -10.511 1.00 33.41 C ATOM 1756 CG ASN A 104 4.199 10.066 -11.277 1.00 31.42 C ATOM 1757 OD1 ASN A 104 4.152 10.809 -12.250 1.00 31.45 O ATOM 1758 ND2 ASN A 104 5.339 9.563 -10.850 1.00 21.43 N ATOM 0 H ASN A 104 3.741 9.726 -7.898 1.00 13.11 H new ATOM 0 HA ASN A 104 2.550 11.706 -9.772 1.00 2.03 H new ATOM 0 HB2 ASN A 104 3.054 8.690 -10.082 1.00 33.41 H new ATOM 0 HB3 ASN A 104 2.093 9.627 -11.208 1.00 33.41 H new ATOM 0 HD21 ASN A 104 6.209 9.790 -11.332 1.00 21.43 H new ATOM 0 HD22 ASN A 104 5.352 8.947 -10.037 1.00 21.43 H new