USER MOD reduce.3.24.130724 H: found=0, std=0, add=720, rem=0, adj=23 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 Set 1.1: A 93 LYS NZ :NH3+ -176:sc= 1.32 (180deg=1.05) USER MOD Set 1.2: A 97 GLN :FLIP amide:sc= -2.59! F(o=-1.8,f=-1.3!) USER MOD Set 2.1: A 30 SER OG : rot -18:sc= 0.975 USER MOD Set 2.2: A 43 SER OG : rot 89:sc= 0.0899 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -109:sc= 0.303 (180deg=-2.05!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -1.42 K(o=-1.4,f=-2.7!) USER MOD Single : A 32 LYS NZ :NH3+ -165:sc= -0.0247 (180deg=-0.267) USER MOD Single : A 38 THR OG1 : rot -135:sc= 0.579 USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0532) USER MOD Single : A 49 TYR OH : rot 87:sc= 0.236 USER MOD Single : A 51 LYS NZ :NH3+ -171:sc= -0.0123 (180deg=-0.106) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -133:sc= -0.0322 (180deg=-2.23!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 61 TYR OH : rot 70:sc= 0.0144 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.0262 X(o=-0.026,f=-0.14) USER MOD Single : A 73 TYR OH : rot 48:sc= 0.185 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.102 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -0.543 K(o=-0.54,f=-2.8!) 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 -112:sc= 0.00306 USER MOD Single : A 88 LYS NZ :NH3+ 157:sc= 1.54 (180deg=-0.0568) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 172:sc= 0.058 USER MOD Single : A 96 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0246) USER MOD Single : A 99 GLN : amide:sc= 0.0499 X(o=0.05,f=-0.33) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0.0901 X(o=0.09,f=-0.034) USER MOD ----------------------------------------------------------------- ATOM 322 N ASP A 20 -10.774 -11.980 -7.107 1.00 32.44 N ATOM 323 CA ASP A 20 -11.871 -10.989 -7.233 1.00 54.13 C ATOM 324 C ASP A 20 -12.271 -10.411 -5.844 1.00 70.20 C ATOM 325 O ASP A 20 -12.378 -9.191 -5.666 1.00 70.11 O ATOM 326 CB ASP A 20 -13.089 -11.656 -7.919 1.00 73.41 C ATOM 327 CG ASP A 20 -12.729 -12.239 -9.299 1.00 42.22 C ATOM 328 OD1 ASP A 20 -12.784 -11.504 -10.308 1.00 24.30 O ATOM 329 OD2 ASP A 20 -12.344 -13.425 -9.369 1.00 25.22 O ATOM 0 HA ASP A 20 -11.523 -10.157 -7.845 1.00 54.13 H new ATOM 0 HB2 ASP A 20 -13.475 -12.450 -7.280 1.00 73.41 H new ATOM 0 HB3 ASP A 20 -13.887 -10.922 -8.033 1.00 73.41 H new ATOM 334 N LYS A 21 -12.463 -11.310 -4.862 1.00 15.52 N ATOM 335 CA LYS A 21 -12.802 -10.933 -3.467 1.00 22.11 C ATOM 336 C LYS A 21 -11.582 -10.352 -2.705 1.00 2.13 C ATOM 337 O LYS A 21 -11.748 -9.524 -1.814 1.00 23.53 O ATOM 338 CB LYS A 21 -13.364 -12.154 -2.708 1.00 34.14 C ATOM 339 CG LYS A 21 -14.696 -12.683 -3.274 1.00 21.44 C ATOM 340 CD LYS A 21 -15.316 -13.799 -2.408 1.00 32.30 C ATOM 341 CE LYS A 21 -15.654 -13.340 -0.971 1.00 5.21 C ATOM 342 NZ LYS A 21 -16.231 -14.441 -0.157 1.00 22.44 N ATOM 0 H LYS A 21 -12.389 -12.317 -5.007 1.00 15.52 H new ATOM 0 HA LYS A 21 -13.560 -10.152 -3.517 1.00 22.11 H new ATOM 0 HB2 LYS A 21 -12.626 -12.956 -2.733 1.00 34.14 H new ATOM 0 HB3 LYS A 21 -13.507 -11.885 -1.662 1.00 34.14 H new ATOM 0 HG2 LYS A 21 -15.404 -11.858 -3.355 1.00 21.44 H new ATOM 0 HG3 LYS A 21 -14.531 -13.062 -4.283 1.00 21.44 H new ATOM 0 HD2 LYS A 21 -16.224 -14.161 -2.890 1.00 32.30 H new ATOM 0 HD3 LYS A 21 -14.624 -14.640 -2.360 1.00 32.30 H new ATOM 0 HE2 LYS A 21 -14.751 -12.966 -0.488 1.00 5.21 H new ATOM 0 HE3 LYS A 21 -16.360 -12.511 -1.012 1.00 5.21 H new ATOM 0 HZ1 LYS A 21 -16.443 -14.091 0.799 1.00 22.44 H new ATOM 0 HZ2 LYS A 21 -17.106 -14.781 -0.604 1.00 22.44 H new ATOM 0 HZ3 LYS A 21 -15.548 -15.223 -0.096 1.00 22.44 H new ATOM 356 N LYS A 22 -10.370 -10.799 -3.078 1.00 23.35 N ATOM 357 CA LYS A 22 -9.104 -10.402 -2.421 1.00 52.35 C ATOM 358 C LYS A 22 -8.753 -8.954 -2.783 1.00 64.23 C ATOM 359 O LYS A 22 -8.538 -8.127 -1.910 1.00 63.33 O ATOM 360 CB LYS A 22 -7.951 -11.348 -2.850 1.00 32.32 C ATOM 361 CG LYS A 22 -6.582 -11.060 -2.176 1.00 11.05 C ATOM 362 CD LYS A 22 -5.440 -11.871 -2.827 1.00 24.03 C ATOM 363 CE LYS A 22 -4.077 -11.712 -2.125 1.00 33.42 C ATOM 364 NZ LYS A 22 -3.024 -12.592 -2.721 1.00 34.13 N ATOM 0 H LYS A 22 -10.236 -11.452 -3.850 1.00 23.35 H new ATOM 0 HA LYS A 22 -9.236 -10.477 -1.342 1.00 52.35 H new ATOM 0 HB2 LYS A 22 -8.241 -12.375 -2.626 1.00 32.32 H new ATOM 0 HB3 LYS A 22 -7.828 -11.280 -3.931 1.00 32.32 H new ATOM 0 HG2 LYS A 22 -6.358 -9.996 -2.248 1.00 11.05 H new ATOM 0 HG3 LYS A 22 -6.641 -11.303 -1.115 1.00 11.05 H new ATOM 0 HD2 LYS A 22 -5.714 -12.926 -2.831 1.00 24.03 H new ATOM 0 HD3 LYS A 22 -5.339 -11.564 -3.868 1.00 24.03 H new ATOM 0 HE2 LYS A 22 -3.757 -10.672 -2.189 1.00 33.42 H new ATOM 0 HE3 LYS A 22 -4.187 -11.947 -1.066 1.00 33.42 H new ATOM 0 HZ1 LYS A 22 -2.794 -13.358 -2.056 1.00 34.13 H new ATOM 0 HZ2 LYS A 22 -3.375 -13.000 -3.611 1.00 34.13 H new ATOM 0 HZ3 LYS A 22 -2.169 -12.031 -2.911 1.00 34.13 H new ATOM 378 N ARG A 23 -8.711 -8.681 -4.101 1.00 73.12 N ATOM 379 CA ARG A 23 -8.470 -7.333 -4.667 1.00 1.42 C ATOM 380 C ARG A 23 -9.491 -6.304 -4.127 1.00 61.43 C ATOM 381 O ARG A 23 -9.125 -5.184 -3.780 1.00 3.01 O ATOM 382 CB ARG A 23 -8.529 -7.438 -6.212 1.00 33.44 C ATOM 383 CG ARG A 23 -8.372 -6.123 -7.011 1.00 24.24 C ATOM 384 CD ARG A 23 -8.366 -6.368 -8.542 1.00 10.00 C ATOM 385 NE ARG A 23 -9.544 -7.147 -8.992 1.00 35.43 N ATOM 386 CZ ARG A 23 -9.531 -8.392 -9.445 1.00 22.02 C ATOM 387 NH1 ARG A 23 -8.428 -9.076 -9.536 1.00 23.12 N ATOM 388 NH2 ARG A 23 -10.641 -8.954 -9.789 1.00 64.52 N ATOM 0 H ARG A 23 -8.845 -9.397 -4.815 1.00 73.12 H new ATOM 0 HA ARG A 23 -7.486 -6.976 -4.363 1.00 1.42 H new ATOM 0 HB2 ARG A 23 -7.748 -8.126 -6.535 1.00 33.44 H new ATOM 0 HB3 ARG A 23 -9.483 -7.888 -6.485 1.00 33.44 H new ATOM 0 HG2 ARG A 23 -9.186 -5.445 -6.756 1.00 24.24 H new ATOM 0 HG3 ARG A 23 -7.444 -5.631 -6.719 1.00 24.24 H new ATOM 0 HD2 ARG A 23 -8.347 -5.410 -9.061 1.00 10.00 H new ATOM 0 HD3 ARG A 23 -7.455 -6.898 -8.819 1.00 10.00 H new ATOM 0 HE ARG A 23 -10.450 -6.681 -8.949 1.00 35.43 H new ATOM 0 HH11 ARG A 23 -7.542 -8.655 -9.255 1.00 23.12 H new ATOM 0 HH12 ARG A 23 -8.449 -10.033 -9.889 1.00 23.12 H new ATOM 0 HH21 ARG A 23 -11.519 -8.440 -9.711 1.00 64.52 H new ATOM 0 HH22 ARG A 23 -10.641 -9.912 -10.139 1.00 64.52 H new ATOM 402 N ALA A 24 -10.765 -6.725 -4.027 1.00 23.32 N ATOM 403 CA ALA A 24 -11.842 -5.909 -3.414 1.00 64.25 C ATOM 404 C ALA A 24 -11.564 -5.630 -1.908 1.00 61.24 C ATOM 405 O ALA A 24 -11.710 -4.499 -1.438 1.00 64.25 O ATOM 406 CB ALA A 24 -13.195 -6.612 -3.590 1.00 62.21 C ATOM 0 H ALA A 24 -11.081 -7.634 -4.365 1.00 23.32 H new ATOM 0 HA ALA A 24 -11.869 -4.946 -3.925 1.00 64.25 H new ATOM 0 HB1 ALA A 24 -13.981 -6.007 -3.138 1.00 62.21 H new ATOM 0 HB2 ALA A 24 -13.403 -6.741 -4.652 1.00 62.21 H new ATOM 0 HB3 ALA A 24 -13.164 -7.588 -3.105 1.00 62.21 H new ATOM 412 N ARG A 25 -11.144 -6.686 -1.181 1.00 62.41 N ATOM 413 CA ARG A 25 -10.840 -6.633 0.275 1.00 3.22 C ATOM 414 C ARG A 25 -9.581 -5.769 0.573 1.00 20.24 C ATOM 415 O ARG A 25 -9.500 -5.127 1.620 1.00 5.03 O ATOM 416 CB ARG A 25 -10.689 -8.096 0.826 1.00 61.32 C ATOM 417 CG ARG A 25 -10.601 -8.267 2.378 1.00 61.45 C ATOM 418 CD ARG A 25 -9.170 -8.181 2.949 1.00 62.40 C ATOM 419 NE ARG A 25 -8.279 -9.221 2.407 1.00 12.45 N ATOM 420 CZ ARG A 25 -7.078 -9.507 2.864 1.00 5.32 C ATOM 421 NH1 ARG A 25 -6.604 -8.936 3.925 1.00 44.43 N ATOM 422 NH2 ARG A 25 -6.373 -10.410 2.274 1.00 0.25 N ATOM 0 H ARG A 25 -11.003 -7.611 -1.587 1.00 62.41 H new ATOM 0 HA ARG A 25 -11.668 -6.147 0.790 1.00 3.22 H new ATOM 0 HB2 ARG A 25 -11.536 -8.681 0.469 1.00 61.32 H new ATOM 0 HB3 ARG A 25 -9.792 -8.532 0.386 1.00 61.32 H new ATOM 0 HG2 ARG A 25 -11.214 -7.500 2.851 1.00 61.45 H new ATOM 0 HG3 ARG A 25 -11.030 -9.231 2.650 1.00 61.45 H new ATOM 0 HD2 ARG A 25 -8.753 -7.199 2.727 1.00 62.40 H new ATOM 0 HD3 ARG A 25 -9.210 -8.272 4.034 1.00 62.40 H new ATOM 0 HE ARG A 25 -8.620 -9.763 1.613 1.00 12.45 H new ATOM 0 HH11 ARG A 25 -7.164 -8.247 4.427 1.00 44.43 H new ATOM 0 HH12 ARG A 25 -5.670 -9.175 4.259 1.00 44.43 H new ATOM 0 HH21 ARG A 25 -6.746 -10.897 1.459 1.00 0.25 H new ATOM 0 HH22 ARG A 25 -5.441 -10.638 2.622 1.00 0.25 H new ATOM 436 N LEU A 26 -8.606 -5.760 -0.351 1.00 34.25 N ATOM 437 CA LEU A 26 -7.358 -4.976 -0.198 1.00 32.05 C ATOM 438 C LEU A 26 -7.602 -3.466 -0.433 1.00 21.53 C ATOM 439 O LEU A 26 -7.101 -2.631 0.331 1.00 22.34 O ATOM 440 CB LEU A 26 -6.266 -5.504 -1.157 1.00 45.22 C ATOM 441 CG LEU A 26 -5.771 -6.964 -0.914 1.00 31.25 C ATOM 442 CD1 LEU A 26 -4.721 -7.365 -1.960 1.00 51.13 C ATOM 443 CD2 LEU A 26 -5.241 -7.123 0.528 1.00 31.42 C ATOM 0 H LEU A 26 -8.655 -6.290 -1.221 1.00 34.25 H new ATOM 0 HA LEU A 26 -7.013 -5.099 0.829 1.00 32.05 H new ATOM 0 HB2 LEU A 26 -6.647 -5.438 -2.176 1.00 45.22 H new ATOM 0 HB3 LEU A 26 -5.406 -4.837 -1.094 1.00 45.22 H new ATOM 0 HG LEU A 26 -6.615 -7.644 -1.029 1.00 31.25 H new ATOM 0 HD11 LEU A 26 -4.391 -8.386 -1.771 1.00 51.13 H new ATOM 0 HD12 LEU A 26 -5.158 -7.304 -2.957 1.00 51.13 H new ATOM 0 HD13 LEU A 26 -3.868 -6.690 -1.896 1.00 51.13 H new ATOM 0 HD21 LEU A 26 -4.900 -8.147 0.680 1.00 31.42 H new ATOM 0 HD22 LEU A 26 -4.410 -6.436 0.688 1.00 31.42 H new ATOM 0 HD23 LEU A 26 -6.039 -6.898 1.236 1.00 31.42 H new ATOM 455 N ILE A 27 -8.374 -3.126 -1.492 1.00 54.01 N ATOM 456 CA ILE A 27 -8.833 -1.731 -1.734 1.00 74.41 C ATOM 457 C ILE A 27 -9.744 -1.242 -0.564 1.00 63.23 C ATOM 458 O ILE A 27 -9.724 -0.075 -0.191 1.00 60.10 O ATOM 459 CB ILE A 27 -9.581 -1.590 -3.123 1.00 35.11 C ATOM 460 CG1 ILE A 27 -8.681 -2.111 -4.293 1.00 62.11 C ATOM 461 CG2 ILE A 27 -10.016 -0.122 -3.385 1.00 44.05 C ATOM 462 CD1 ILE A 27 -9.298 -2.055 -5.684 1.00 40.10 C ATOM 0 H ILE A 27 -8.693 -3.795 -2.193 1.00 54.01 H new ATOM 0 HA ILE A 27 -7.947 -1.097 -1.775 1.00 74.41 H new ATOM 0 HB ILE A 27 -10.481 -2.204 -3.077 1.00 35.11 H new ATOM 0 HG12 ILE A 27 -7.759 -1.530 -4.302 1.00 62.11 H new ATOM 0 HG13 ILE A 27 -8.405 -3.144 -4.081 1.00 62.11 H new ATOM 0 HG21 ILE A 27 -10.526 -0.060 -4.346 1.00 44.05 H new ATOM 0 HG22 ILE A 27 -10.691 0.204 -2.594 1.00 44.05 H new ATOM 0 HG23 ILE A 27 -9.136 0.521 -3.399 1.00 44.05 H new ATOM 0 HD11 ILE A 27 -8.586 -2.440 -6.414 1.00 40.10 H new ATOM 0 HD12 ILE A 27 -10.203 -2.662 -5.705 1.00 40.10 H new ATOM 0 HD13 ILE A 27 -9.547 -1.023 -5.930 1.00 40.10 H new ATOM 474 N TYR A 28 -10.514 -2.167 0.021 1.00 54.42 N ATOM 475 CA TYR A 28 -11.292 -1.933 1.268 1.00 14.00 C ATOM 476 C TYR A 28 -10.369 -1.540 2.468 1.00 1.31 C ATOM 477 O TYR A 28 -10.653 -0.573 3.188 1.00 32.01 O ATOM 478 CB TYR A 28 -12.146 -3.212 1.564 1.00 32.44 C ATOM 479 CG TYR A 28 -12.531 -3.462 3.032 1.00 44.22 C ATOM 480 CD1 TYR A 28 -13.535 -2.726 3.657 1.00 54.43 C ATOM 481 CD2 TYR A 28 -11.874 -4.442 3.792 1.00 1.51 C ATOM 482 CE1 TYR A 28 -13.869 -2.957 4.975 1.00 14.32 C ATOM 483 CE2 TYR A 28 -12.206 -4.673 5.110 1.00 23.24 C ATOM 484 CZ TYR A 28 -13.203 -3.929 5.699 1.00 42.52 C ATOM 485 OH TYR A 28 -13.539 -4.155 7.018 1.00 13.44 O ATOM 0 H TYR A 28 -10.623 -3.110 -0.352 1.00 54.42 H new ATOM 0 HA TYR A 28 -11.960 -1.083 1.129 1.00 14.00 H new ATOM 0 HB2 TYR A 28 -13.063 -3.152 0.977 1.00 32.44 H new ATOM 0 HB3 TYR A 28 -11.594 -4.080 1.205 1.00 32.44 H new ATOM 0 HD1 TYR A 28 -14.060 -1.963 3.101 1.00 54.43 H new ATOM 0 HD2 TYR A 28 -11.091 -5.028 3.334 1.00 1.51 H new ATOM 0 HE1 TYR A 28 -14.652 -2.378 5.442 1.00 14.32 H new ATOM 0 HE2 TYR A 28 -11.687 -5.432 5.676 1.00 23.24 H new ATOM 0 HH TYR A 28 -12.977 -4.871 7.381 1.00 13.44 H new ATOM 495 N GLN A 29 -9.265 -2.291 2.657 1.00 43.13 N ATOM 496 CA GLN A 29 -8.295 -2.049 3.762 1.00 21.43 C ATOM 497 C GLN A 29 -7.402 -0.805 3.503 1.00 24.42 C ATOM 498 O GLN A 29 -6.748 -0.310 4.424 1.00 31.54 O ATOM 499 CB GLN A 29 -7.403 -3.299 3.977 1.00 21.40 C ATOM 500 CG GLN A 29 -8.125 -4.550 4.524 1.00 64.25 C ATOM 501 CD GLN A 29 -7.214 -5.783 4.670 1.00 11.34 C ATOM 502 OE1 GLN A 29 -7.402 -6.607 5.559 1.00 54.30 O ATOM 503 NE2 GLN A 29 -6.260 -5.962 3.771 1.00 34.11 N ATOM 0 H GLN A 29 -9.016 -3.078 2.057 1.00 43.13 H new ATOM 0 HA GLN A 29 -8.879 -1.853 4.662 1.00 21.43 H new ATOM 0 HB2 GLN A 29 -6.936 -3.558 3.026 1.00 21.40 H new ATOM 0 HB3 GLN A 29 -6.600 -3.036 4.665 1.00 21.40 H new ATOM 0 HG2 GLN A 29 -8.556 -4.312 5.496 1.00 64.25 H new ATOM 0 HG3 GLN A 29 -8.953 -4.799 3.860 1.00 64.25 H new ATOM 0 HE21 GLN A 29 -6.114 -5.269 3.037 1.00 34.11 H new ATOM 0 HE22 GLN A 29 -5.670 -6.793 3.812 1.00 34.11 H new ATOM 512 N SER A 30 -7.340 -0.334 2.245 1.00 44.50 N ATOM 513 CA SER A 30 -6.642 0.928 1.893 1.00 70.34 C ATOM 514 C SER A 30 -7.551 2.152 2.124 1.00 3.23 C ATOM 515 O SER A 30 -7.059 3.267 2.333 1.00 53.42 O ATOM 516 CB SER A 30 -6.155 0.891 0.431 1.00 4.44 C ATOM 517 OG SER A 30 -7.218 0.832 -0.505 1.00 52.33 O ATOM 0 H SER A 30 -7.765 -0.807 1.447 1.00 44.50 H new ATOM 0 HA SER A 30 -5.775 1.022 2.547 1.00 70.34 H new ATOM 0 HB2 SER A 30 -5.552 1.777 0.232 1.00 4.44 H new ATOM 0 HB3 SER A 30 -5.507 0.026 0.291 1.00 4.44 H new ATOM 0 HG SER A 30 -8.035 0.534 -0.054 1.00 52.33 H new ATOM 523 N ARG A 31 -8.879 1.930 2.047 1.00 2.33 N ATOM 524 CA ARG A 31 -9.895 2.961 2.362 1.00 1.41 C ATOM 525 C ARG A 31 -10.213 3.002 3.883 1.00 54.11 C ATOM 526 O ARG A 31 -10.922 3.898 4.348 1.00 30.31 O ATOM 527 CB ARG A 31 -11.178 2.725 1.521 1.00 24.44 C ATOM 528 CG ARG A 31 -10.937 2.762 -0.010 1.00 25.34 C ATOM 529 CD ARG A 31 -12.229 2.669 -0.840 1.00 32.01 C ATOM 530 NE ARG A 31 -13.063 3.869 -0.677 1.00 73.34 N ATOM 531 CZ ARG A 31 -14.221 4.094 -1.256 1.00 1.11 C ATOM 532 NH1 ARG A 31 -14.747 3.246 -2.086 1.00 23.54 N ATOM 533 NH2 ARG A 31 -14.836 5.198 -1.001 1.00 10.54 N ATOM 0 H ARG A 31 -9.279 1.035 1.766 1.00 2.33 H new ATOM 0 HA ARG A 31 -9.485 3.936 2.096 1.00 1.41 H new ATOM 0 HB2 ARG A 31 -11.604 1.758 1.789 1.00 24.44 H new ATOM 0 HB3 ARG A 31 -11.917 3.483 1.782 1.00 24.44 H new ATOM 0 HG2 ARG A 31 -10.417 3.685 -0.265 1.00 25.34 H new ATOM 0 HG3 ARG A 31 -10.278 1.939 -0.286 1.00 25.34 H new ATOM 0 HD2 ARG A 31 -11.978 2.540 -1.893 1.00 32.01 H new ATOM 0 HD3 ARG A 31 -12.795 1.788 -0.537 1.00 32.01 H new ATOM 0 HE ARG A 31 -12.709 4.596 -0.055 1.00 73.34 H new ATOM 0 HH11 ARG A 31 -14.260 2.377 -2.304 1.00 23.54 H new ATOM 0 HH12 ARG A 31 -15.648 3.449 -2.520 1.00 23.54 H new ATOM 0 HH21 ARG A 31 -14.422 5.876 -0.361 1.00 10.54 H new ATOM 0 HH22 ARG A 31 -15.736 5.393 -1.439 1.00 10.54 H new ATOM 547 N LYS A 32 -9.710 2.011 4.649 1.00 73.15 N ATOM 548 CA LYS A 32 -9.646 2.088 6.126 1.00 32.04 C ATOM 549 C LYS A 32 -8.183 2.289 6.567 1.00 2.12 C ATOM 550 O LYS A 32 -7.391 1.356 6.493 1.00 31.53 O ATOM 551 CB LYS A 32 -10.195 0.788 6.773 1.00 4.11 C ATOM 552 CG LYS A 32 -11.724 0.630 6.716 1.00 33.44 C ATOM 553 CD LYS A 32 -12.200 -0.578 7.550 1.00 62.31 C ATOM 554 CE LYS A 32 -13.730 -0.646 7.692 1.00 2.54 C ATOM 555 NZ LYS A 32 -14.287 0.567 8.347 1.00 23.14 N ATOM 0 H LYS A 32 -9.339 1.141 4.266 1.00 73.15 H new ATOM 0 HA LYS A 32 -10.258 2.929 6.453 1.00 32.04 H new ATOM 0 HB2 LYS A 32 -9.737 -0.068 6.277 1.00 4.11 H new ATOM 0 HB3 LYS A 32 -9.880 0.758 7.816 1.00 4.11 H new ATOM 0 HG2 LYS A 32 -12.199 1.539 7.086 1.00 33.44 H new ATOM 0 HG3 LYS A 32 -12.039 0.505 5.680 1.00 33.44 H new ATOM 0 HD2 LYS A 32 -11.843 -1.497 7.085 1.00 62.31 H new ATOM 0 HD3 LYS A 32 -11.751 -0.527 8.542 1.00 62.31 H new ATOM 0 HE2 LYS A 32 -14.180 -0.764 6.706 1.00 2.54 H new ATOM 0 HE3 LYS A 32 -14.001 -1.528 8.273 1.00 2.54 H new ATOM 0 HZ1 LYS A 32 -15.264 0.380 8.651 1.00 23.14 H new ATOM 0 HZ2 LYS A 32 -13.707 0.812 9.175 1.00 23.14 H new ATOM 0 HZ3 LYS A 32 -14.280 1.359 7.673 1.00 23.14 H new ATOM 569 N ARG A 33 -7.858 3.475 7.105 1.00 0.41 N ATOM 570 CA ARG A 33 -6.509 3.817 7.623 1.00 40.33 C ATOM 571 C ARG A 33 -6.632 4.601 8.959 1.00 15.44 C ATOM 572 O ARG A 33 -7.713 4.651 9.573 1.00 72.35 O ATOM 573 CB ARG A 33 -5.715 4.669 6.571 1.00 74.14 C ATOM 574 CG ARG A 33 -5.361 3.980 5.218 1.00 52.54 C ATOM 575 CD ARG A 33 -4.270 2.885 5.328 1.00 63.25 C ATOM 576 NE ARG A 33 -4.786 1.593 5.799 1.00 42.54 N ATOM 577 CZ ARG A 33 -4.204 0.783 6.653 1.00 44.32 C ATOM 578 NH1 ARG A 33 -3.092 1.090 7.240 1.00 42.22 N ATOM 579 NH2 ARG A 33 -4.787 -0.324 6.944 1.00 44.32 N ATOM 0 H ARG A 33 -8.528 4.238 7.197 1.00 0.41 H new ATOM 0 HA ARG A 33 -5.963 2.891 7.804 1.00 40.33 H new ATOM 0 HB2 ARG A 33 -6.297 5.564 6.352 1.00 74.14 H new ATOM 0 HB3 ARG A 33 -4.786 4.999 7.035 1.00 74.14 H new ATOM 0 HG2 ARG A 33 -6.265 3.535 4.802 1.00 52.54 H new ATOM 0 HG3 ARG A 33 -5.026 4.741 4.513 1.00 52.54 H new ATOM 0 HD2 ARG A 33 -3.804 2.748 4.352 1.00 63.25 H new ATOM 0 HD3 ARG A 33 -3.490 3.226 6.009 1.00 63.25 H new ATOM 0 HE ARG A 33 -5.687 1.295 5.425 1.00 42.54 H new ATOM 0 HH11 ARG A 33 -2.642 1.984 7.044 1.00 42.22 H new ATOM 0 HH12 ARG A 33 -2.666 0.438 7.899 1.00 42.22 H new ATOM 0 HH21 ARG A 33 -5.682 -0.557 6.514 1.00 44.32 H new ATOM 0 HH22 ARG A 33 -4.355 -0.970 7.605 1.00 44.32 H new ATOM 593 N GLY A 34 -5.507 5.182 9.409 1.00 74.53 N ATOM 594 CA GLY A 34 -5.474 6.071 10.584 1.00 32.23 C ATOM 595 C GLY A 34 -5.595 7.554 10.207 1.00 24.24 C ATOM 596 O GLY A 34 -6.343 8.308 10.841 1.00 42.43 O ATOM 0 H GLY A 34 -4.596 5.049 8.970 1.00 74.53 H new ATOM 0 HA2 GLY A 34 -6.287 5.804 11.259 1.00 32.23 H new ATOM 0 HA3 GLY A 34 -4.543 5.913 11.128 1.00 32.23 H new ATOM 600 N ILE A 35 -4.839 7.970 9.165 1.00 74.21 N ATOM 601 CA ILE A 35 -4.865 9.359 8.633 1.00 1.42 C ATOM 602 C ILE A 35 -5.353 9.377 7.161 1.00 61.31 C ATOM 603 O ILE A 35 -5.117 8.425 6.403 1.00 70.23 O ATOM 604 CB ILE A 35 -3.451 10.057 8.712 1.00 40.45 C ATOM 605 CG1 ILE A 35 -2.382 9.262 7.891 1.00 43.03 C ATOM 606 CG2 ILE A 35 -3.009 10.242 10.186 1.00 70.32 C ATOM 607 CD1 ILE A 35 -1.068 9.980 7.665 1.00 23.33 C ATOM 0 H ILE A 35 -4.194 7.356 8.668 1.00 74.21 H new ATOM 0 HA ILE A 35 -5.560 9.916 9.262 1.00 1.42 H new ATOM 0 HB ILE A 35 -3.538 11.047 8.264 1.00 40.45 H new ATOM 0 HG12 ILE A 35 -2.179 8.323 8.405 1.00 43.03 H new ATOM 0 HG13 ILE A 35 -2.809 9.008 6.921 1.00 43.03 H new ATOM 0 HG21 ILE A 35 -2.032 10.725 10.215 1.00 70.32 H new ATOM 0 HG22 ILE A 35 -3.736 10.863 10.709 1.00 70.32 H new ATOM 0 HG23 ILE A 35 -2.947 9.268 10.672 1.00 70.32 H new ATOM 0 HD11 ILE A 35 -0.400 9.342 7.087 1.00 23.33 H new ATOM 0 HD12 ILE A 35 -1.249 10.906 7.119 1.00 23.33 H new ATOM 0 HD13 ILE A 35 -0.609 10.209 8.627 1.00 23.33 H new ATOM 619 N LEU A 36 -5.988 10.500 6.765 1.00 52.53 N ATOM 620 CA LEU A 36 -6.581 10.668 5.417 1.00 23.24 C ATOM 621 C LEU A 36 -5.513 10.829 4.311 1.00 32.01 C ATOM 622 O LEU A 36 -5.811 10.605 3.137 1.00 32.21 O ATOM 623 CB LEU A 36 -7.600 11.852 5.393 1.00 13.42 C ATOM 624 CG LEU A 36 -8.960 11.635 6.149 1.00 11.23 C ATOM 625 CD1 LEU A 36 -9.693 10.373 5.648 1.00 72.44 C ATOM 626 CD2 LEU A 36 -8.782 11.618 7.687 1.00 3.43 C ATOM 0 H LEU A 36 -6.105 11.315 7.367 1.00 52.53 H new ATOM 0 HA LEU A 36 -7.121 9.747 5.197 1.00 23.24 H new ATOM 0 HB2 LEU A 36 -7.112 12.729 5.819 1.00 13.42 H new ATOM 0 HB3 LEU A 36 -7.824 12.086 4.352 1.00 13.42 H new ATOM 0 HG LEU A 36 -9.589 12.494 5.916 1.00 11.23 H new ATOM 0 HD11 LEU A 36 -10.629 10.255 6.194 1.00 72.44 H new ATOM 0 HD12 LEU A 36 -9.904 10.473 4.583 1.00 72.44 H new ATOM 0 HD13 LEU A 36 -9.065 9.498 5.813 1.00 72.44 H new ATOM 0 HD21 LEU A 36 -9.750 11.465 8.164 1.00 3.43 H new ATOM 0 HD22 LEU A 36 -8.108 10.808 7.966 1.00 3.43 H new ATOM 0 HD23 LEU A 36 -8.362 12.569 8.015 1.00 3.43 H new ATOM 638 N GLU A 37 -4.275 11.207 4.683 1.00 70.32 N ATOM 639 CA GLU A 37 -3.136 11.221 3.734 1.00 63.24 C ATOM 640 C GLU A 37 -2.770 9.795 3.269 1.00 23.04 C ATOM 641 O GLU A 37 -2.531 9.571 2.084 1.00 21.23 O ATOM 642 CB GLU A 37 -1.894 11.932 4.345 1.00 54.21 C ATOM 643 CG GLU A 37 -1.969 13.472 4.353 1.00 44.31 C ATOM 644 CD GLU A 37 -2.224 14.063 2.950 1.00 12.24 C ATOM 645 OE1 GLU A 37 -1.350 13.917 2.061 1.00 14.14 O ATOM 646 OE2 GLU A 37 -3.300 14.659 2.723 1.00 23.33 O ATOM 0 H GLU A 37 -4.035 11.506 5.628 1.00 70.32 H new ATOM 0 HA GLU A 37 -3.455 11.790 2.860 1.00 63.24 H new ATOM 0 HB2 GLU A 37 -1.761 11.584 5.369 1.00 54.21 H new ATOM 0 HB3 GLU A 37 -1.008 11.628 3.787 1.00 54.21 H new ATOM 0 HG2 GLU A 37 -2.765 13.789 5.027 1.00 44.31 H new ATOM 0 HG3 GLU A 37 -1.037 13.875 4.749 1.00 44.31 H new ATOM 653 N THR A 38 -2.727 8.836 4.213 1.00 32.12 N ATOM 654 CA THR A 38 -2.444 7.416 3.887 1.00 4.41 C ATOM 655 C THR A 38 -3.662 6.746 3.191 1.00 1.11 C ATOM 656 O THR A 38 -3.481 5.812 2.409 1.00 35.43 O ATOM 657 CB THR A 38 -1.987 6.605 5.145 1.00 43.23 C ATOM 658 OG1 THR A 38 -0.922 7.314 5.794 1.00 34.13 O ATOM 659 CG2 THR A 38 -1.469 5.198 4.793 1.00 45.01 C ATOM 0 H THR A 38 -2.883 9.013 5.205 1.00 32.12 H new ATOM 0 HA THR A 38 -1.611 7.407 3.184 1.00 4.41 H new ATOM 0 HB THR A 38 -2.860 6.495 5.789 1.00 43.23 H new ATOM 0 HG1 THR A 38 -0.210 6.685 6.035 1.00 34.13 H new ATOM 0 HG21 THR A 38 -1.167 4.683 5.705 1.00 45.01 H new ATOM 0 HG22 THR A 38 -2.260 4.631 4.302 1.00 45.01 H new ATOM 0 HG23 THR A 38 -0.613 5.282 4.123 1.00 45.01 H new ATOM 667 N ASP A 39 -4.907 7.205 3.505 1.00 44.40 N ATOM 668 CA ASP A 39 -6.120 6.813 2.727 1.00 2.00 C ATOM 669 C ASP A 39 -5.967 7.187 1.232 1.00 73.14 C ATOM 670 O ASP A 39 -6.016 6.320 0.377 1.00 23.21 O ATOM 671 CB ASP A 39 -7.408 7.467 3.296 1.00 31.55 C ATOM 672 CG ASP A 39 -7.869 6.831 4.612 1.00 34.53 C ATOM 673 OD1 ASP A 39 -8.380 5.693 4.581 1.00 11.42 O ATOM 674 OD2 ASP A 39 -7.740 7.458 5.676 1.00 23.14 O ATOM 0 H ASP A 39 -5.096 7.839 4.281 1.00 44.40 H new ATOM 0 HA ASP A 39 -6.215 5.731 2.818 1.00 2.00 H new ATOM 0 HB2 ASP A 39 -7.229 8.530 3.455 1.00 31.55 H new ATOM 0 HB3 ASP A 39 -8.207 7.385 2.559 1.00 31.55 H new ATOM 679 N LEU A 40 -5.745 8.485 0.942 1.00 45.15 N ATOM 680 CA LEU A 40 -5.593 9.002 -0.449 1.00 10.32 C ATOM 681 C LEU A 40 -4.363 8.384 -1.170 1.00 33.41 C ATOM 682 O LEU A 40 -4.388 8.172 -2.392 1.00 75.52 O ATOM 683 CB LEU A 40 -5.504 10.554 -0.425 1.00 5.42 C ATOM 684 CG LEU A 40 -6.775 11.289 0.121 1.00 31.15 C ATOM 685 CD1 LEU A 40 -6.552 12.812 0.208 1.00 15.54 C ATOM 686 CD2 LEU A 40 -8.025 10.949 -0.726 1.00 12.23 C ATOM 0 H LEU A 40 -5.665 9.208 1.657 1.00 45.15 H new ATOM 0 HA LEU A 40 -6.473 8.703 -1.019 1.00 10.32 H new ATOM 0 HB2 LEU A 40 -4.648 10.843 0.184 1.00 5.42 H new ATOM 0 HB3 LEU A 40 -5.308 10.906 -1.438 1.00 5.42 H new ATOM 0 HG LEU A 40 -6.954 10.928 1.134 1.00 31.15 H new ATOM 0 HD11 LEU A 40 -7.454 13.290 0.591 1.00 15.54 H new ATOM 0 HD12 LEU A 40 -5.718 13.020 0.879 1.00 15.54 H new ATOM 0 HD13 LEU A 40 -6.326 13.204 -0.784 1.00 15.54 H new ATOM 0 HD21 LEU A 40 -8.891 11.474 -0.323 1.00 12.23 H new ATOM 0 HD22 LEU A 40 -7.861 11.259 -1.758 1.00 12.23 H new ATOM 0 HD23 LEU A 40 -8.205 9.874 -0.694 1.00 12.23 H new ATOM 698 N LEU A 41 -3.309 8.070 -0.394 1.00 22.34 N ATOM 699 CA LEU A 41 -2.083 7.419 -0.913 1.00 34.24 C ATOM 700 C LEU A 41 -2.366 5.953 -1.342 1.00 50.12 C ATOM 701 O LEU A 41 -2.240 5.607 -2.512 1.00 33.24 O ATOM 702 CB LEU A 41 -0.970 7.457 0.174 1.00 14.41 C ATOM 703 CG LEU A 41 0.429 6.874 -0.221 1.00 23.43 C ATOM 704 CD1 LEU A 41 1.086 7.685 -1.362 1.00 11.35 C ATOM 705 CD2 LEU A 41 1.355 6.790 1.013 1.00 43.32 C ATOM 0 H LEU A 41 -3.279 8.258 0.608 1.00 22.34 H new ATOM 0 HA LEU A 41 -1.747 7.966 -1.794 1.00 34.24 H new ATOM 0 HB2 LEU A 41 -0.831 8.494 0.480 1.00 14.41 H new ATOM 0 HB3 LEU A 41 -1.330 6.912 1.047 1.00 14.41 H new ATOM 0 HG LEU A 41 0.272 5.863 -0.597 1.00 23.43 H new ATOM 0 HD11 LEU A 41 2.055 7.249 -1.607 1.00 11.35 H new ATOM 0 HD12 LEU A 41 0.444 7.660 -2.242 1.00 11.35 H new ATOM 0 HD13 LEU A 41 1.223 8.718 -1.042 1.00 11.35 H new ATOM 0 HD21 LEU A 41 2.321 6.382 0.716 1.00 43.32 H new ATOM 0 HD22 LEU A 41 1.495 7.787 1.431 1.00 43.32 H new ATOM 0 HD23 LEU A 41 0.903 6.142 1.764 1.00 43.32 H new ATOM 717 N LEU A 42 -2.811 5.119 -0.395 1.00 51.04 N ATOM 718 CA LEU A 42 -2.989 3.667 -0.628 1.00 60.24 C ATOM 719 C LEU A 42 -4.220 3.328 -1.485 1.00 44.22 C ATOM 720 O LEU A 42 -4.179 2.363 -2.225 1.00 63.12 O ATOM 721 CB LEU A 42 -3.028 2.896 0.714 1.00 52.50 C ATOM 722 CG LEU A 42 -1.659 2.791 1.461 1.00 50.30 C ATOM 723 CD1 LEU A 42 -1.775 1.938 2.737 1.00 12.53 C ATOM 724 CD2 LEU A 42 -0.554 2.245 0.523 1.00 0.31 C ATOM 0 H LEU A 42 -3.058 5.420 0.548 1.00 51.04 H new ATOM 0 HA LEU A 42 -2.121 3.345 -1.203 1.00 60.24 H new ATOM 0 HB2 LEU A 42 -3.747 3.382 1.373 1.00 52.50 H new ATOM 0 HB3 LEU A 42 -3.399 1.889 0.525 1.00 52.50 H new ATOM 0 HG LEU A 42 -1.374 3.798 1.766 1.00 50.30 H new ATOM 0 HD11 LEU A 42 -0.804 1.887 3.230 1.00 12.53 H new ATOM 0 HD12 LEU A 42 -2.502 2.390 3.412 1.00 12.53 H new ATOM 0 HD13 LEU A 42 -2.101 0.932 2.474 1.00 12.53 H new ATOM 0 HD21 LEU A 42 0.388 2.182 1.068 1.00 0.31 H new ATOM 0 HD22 LEU A 42 -0.835 1.253 0.169 1.00 0.31 H new ATOM 0 HD23 LEU A 42 -0.436 2.915 -0.329 1.00 0.31 H new ATOM 736 N SER A 43 -5.304 4.108 -1.374 1.00 31.22 N ATOM 737 CA SER A 43 -6.551 3.879 -2.167 1.00 22.11 C ATOM 738 C SER A 43 -6.344 4.216 -3.660 1.00 12.24 C ATOM 739 O SER A 43 -6.892 3.536 -4.538 1.00 44.33 O ATOM 740 CB SER A 43 -7.727 4.696 -1.595 1.00 14.40 C ATOM 741 OG SER A 43 -8.050 4.287 -0.275 1.00 61.23 O ATOM 0 H SER A 43 -5.356 4.909 -0.745 1.00 31.22 H new ATOM 0 HA SER A 43 -6.792 2.819 -2.090 1.00 22.11 H new ATOM 0 HB2 SER A 43 -7.470 5.755 -1.596 1.00 14.40 H new ATOM 0 HB3 SER A 43 -8.600 4.579 -2.237 1.00 14.40 H new ATOM 0 HG SER A 43 -7.511 4.795 0.366 1.00 61.23 H new ATOM 747 N GLY A 44 -5.556 5.274 -3.936 1.00 40.15 N ATOM 748 CA GLY A 44 -5.127 5.593 -5.311 1.00 20.13 C ATOM 749 C GLY A 44 -4.168 4.536 -5.875 1.00 20.30 C ATOM 750 O GLY A 44 -4.267 4.131 -7.039 1.00 31.31 O ATOM 0 H GLY A 44 -5.205 5.919 -3.228 1.00 40.15 H new ATOM 0 HA2 GLY A 44 -6.003 5.668 -5.956 1.00 20.13 H new ATOM 0 HA3 GLY A 44 -4.639 6.568 -5.321 1.00 20.13 H new ATOM 754 N PHE A 45 -3.230 4.094 -5.006 1.00 1.22 N ATOM 755 CA PHE A 45 -2.304 2.968 -5.273 1.00 74.33 C ATOM 756 C PHE A 45 -3.100 1.661 -5.509 1.00 43.13 C ATOM 757 O PHE A 45 -2.699 0.813 -6.296 1.00 12.11 O ATOM 758 CB PHE A 45 -1.323 2.819 -4.068 1.00 10.42 C ATOM 759 CG PHE A 45 -0.200 1.792 -4.242 1.00 24.31 C ATOM 760 CD1 PHE A 45 -0.400 0.445 -3.934 1.00 51.22 C ATOM 761 CD2 PHE A 45 1.059 2.170 -4.712 1.00 12.32 C ATOM 762 CE1 PHE A 45 0.611 -0.481 -4.090 1.00 62.35 C ATOM 763 CE2 PHE A 45 2.063 1.237 -4.865 1.00 21.24 C ATOM 764 CZ PHE A 45 1.841 -0.085 -4.556 1.00 75.34 C ATOM 0 H PHE A 45 -3.093 4.515 -4.087 1.00 1.22 H new ATOM 0 HA PHE A 45 -1.728 3.171 -6.176 1.00 74.33 H new ATOM 0 HB2 PHE A 45 -0.872 3.791 -3.869 1.00 10.42 H new ATOM 0 HB3 PHE A 45 -1.902 2.549 -3.185 1.00 10.42 H new ATOM 0 HD1 PHE A 45 -1.363 0.122 -3.567 1.00 51.22 H new ATOM 0 HD2 PHE A 45 1.249 3.204 -4.958 1.00 12.32 H new ATOM 0 HE1 PHE A 45 0.435 -1.518 -3.845 1.00 62.35 H new ATOM 0 HE2 PHE A 45 3.031 1.547 -5.230 1.00 21.24 H new ATOM 0 HZ PHE A 45 2.632 -0.810 -4.680 1.00 75.34 H new ATOM 774 N ALA A 46 -4.232 1.527 -4.814 1.00 2.12 N ATOM 775 CA ALA A 46 -5.085 0.335 -4.879 1.00 43.52 C ATOM 776 C ALA A 46 -5.867 0.248 -6.207 1.00 70.30 C ATOM 777 O ALA A 46 -6.002 -0.833 -6.788 1.00 62.33 O ATOM 778 CB ALA A 46 -6.028 0.301 -3.673 1.00 63.14 C ATOM 0 H ALA A 46 -4.586 2.248 -4.185 1.00 2.12 H new ATOM 0 HA ALA A 46 -4.438 -0.542 -4.845 1.00 43.52 H new ATOM 0 HB1 ALA A 46 -6.658 -0.587 -3.729 1.00 63.14 H new ATOM 0 HB2 ALA A 46 -5.443 0.274 -2.754 1.00 63.14 H new ATOM 0 HB3 ALA A 46 -6.656 1.192 -3.677 1.00 63.14 H new ATOM 784 N ALA A 47 -6.369 1.396 -6.681 1.00 51.41 N ATOM 785 CA ALA A 47 -7.086 1.490 -7.975 1.00 24.12 C ATOM 786 C ALA A 47 -6.138 1.268 -9.184 1.00 2.13 C ATOM 787 O ALA A 47 -6.529 0.693 -10.208 1.00 51.34 O ATOM 788 CB ALA A 47 -7.780 2.856 -8.083 1.00 62.33 C ATOM 0 H ALA A 47 -6.294 2.285 -6.187 1.00 51.41 H new ATOM 0 HA ALA A 47 -7.833 0.696 -8.003 1.00 24.12 H new ATOM 0 HB1 ALA A 47 -8.306 2.922 -9.035 1.00 62.33 H new ATOM 0 HB2 ALA A 47 -8.493 2.968 -7.266 1.00 62.33 H new ATOM 0 HB3 ALA A 47 -7.034 3.649 -8.025 1.00 62.33 H new ATOM 794 N LYS A 48 -4.883 1.724 -9.035 1.00 65.11 N ATOM 795 CA LYS A 48 -3.876 1.715 -10.117 1.00 14.31 C ATOM 796 C LYS A 48 -3.082 0.387 -10.178 1.00 54.54 C ATOM 797 O LYS A 48 -2.999 -0.257 -11.228 1.00 2.32 O ATOM 798 CB LYS A 48 -2.902 2.906 -9.902 1.00 1.42 C ATOM 799 CG LYS A 48 -1.800 3.055 -10.977 1.00 11.31 C ATOM 800 CD LYS A 48 -0.826 4.220 -10.673 1.00 64.31 C ATOM 801 CE LYS A 48 -1.500 5.604 -10.733 1.00 52.22 C ATOM 802 NZ LYS A 48 -2.008 5.922 -12.094 1.00 12.24 N ATOM 0 H LYS A 48 -4.534 2.111 -8.158 1.00 65.11 H new ATOM 0 HA LYS A 48 -4.400 1.812 -11.068 1.00 14.31 H new ATOM 0 HB2 LYS A 48 -3.482 3.828 -9.869 1.00 1.42 H new ATOM 0 HB3 LYS A 48 -2.425 2.794 -8.928 1.00 1.42 H new ATOM 0 HG2 LYS A 48 -1.237 2.124 -11.046 1.00 11.31 H new ATOM 0 HG3 LYS A 48 -2.265 3.219 -11.949 1.00 11.31 H new ATOM 0 HD2 LYS A 48 -0.394 4.076 -9.683 1.00 64.31 H new ATOM 0 HD3 LYS A 48 -0.003 4.193 -11.387 1.00 64.31 H new ATOM 0 HE2 LYS A 48 -2.326 5.635 -10.022 1.00 52.22 H new ATOM 0 HE3 LYS A 48 -0.786 6.368 -10.426 1.00 52.22 H new ATOM 0 HZ1 LYS A 48 -2.330 6.910 -12.122 1.00 12.24 H new ATOM 0 HZ2 LYS A 48 -1.247 5.786 -12.789 1.00 12.24 H new ATOM 0 HZ3 LYS A 48 -2.803 5.292 -12.324 1.00 12.24 H new ATOM 816 N TYR A 49 -2.477 0.004 -9.046 1.00 31.32 N ATOM 817 CA TYR A 49 -1.517 -1.120 -8.978 1.00 11.15 C ATOM 818 C TYR A 49 -2.183 -2.505 -8.864 1.00 53.24 C ATOM 819 O TYR A 49 -1.718 -3.436 -9.507 1.00 33.22 O ATOM 820 CB TYR A 49 -0.503 -0.891 -7.837 1.00 51.11 C ATOM 821 CG TYR A 49 0.569 0.145 -8.197 1.00 60.54 C ATOM 822 CD1 TYR A 49 0.352 1.518 -8.046 1.00 71.23 C ATOM 823 CD2 TYR A 49 1.800 -0.262 -8.708 1.00 34.33 C ATOM 824 CE1 TYR A 49 1.328 2.436 -8.390 1.00 63.33 C ATOM 825 CE2 TYR A 49 2.770 0.655 -9.050 1.00 21.30 C ATOM 826 CZ TYR A 49 2.532 1.999 -8.887 1.00 14.20 C ATOM 827 OH TYR A 49 3.508 2.909 -9.235 1.00 71.24 O ATOM 0 H TYR A 49 -2.635 0.461 -8.148 1.00 31.32 H new ATOM 0 HA TYR A 49 -0.990 -1.131 -9.932 1.00 11.15 H new ATOM 0 HB2 TYR A 49 -1.035 -0.562 -6.944 1.00 51.11 H new ATOM 0 HB3 TYR A 49 -0.020 -1.837 -7.590 1.00 51.11 H new ATOM 0 HD1 TYR A 49 -0.592 1.867 -7.655 1.00 71.23 H new ATOM 0 HD2 TYR A 49 1.997 -1.316 -8.838 1.00 34.33 H new ATOM 0 HE1 TYR A 49 1.144 3.493 -8.268 1.00 63.33 H new ATOM 0 HE2 TYR A 49 3.717 0.318 -9.446 1.00 21.30 H new ATOM 0 HH TYR A 49 4.051 3.124 -8.448 1.00 71.24 H new ATOM 837 N LEU A 50 -3.258 -2.657 -8.051 1.00 61.40 N ATOM 838 CA LEU A 50 -4.022 -3.953 -7.977 1.00 4.31 C ATOM 839 C LEU A 50 -4.631 -4.345 -9.343 1.00 71.42 C ATOM 840 O LEU A 50 -4.948 -5.514 -9.581 1.00 42.03 O ATOM 841 CB LEU A 50 -5.141 -3.936 -6.896 1.00 45.25 C ATOM 842 CG LEU A 50 -4.685 -4.176 -5.424 1.00 63.02 C ATOM 843 CD1 LEU A 50 -3.890 -3.004 -4.856 1.00 74.24 C ATOM 844 CD2 LEU A 50 -5.879 -4.506 -4.522 1.00 34.43 C ATOM 0 H LEU A 50 -3.619 -1.921 -7.444 1.00 61.40 H new ATOM 0 HA LEU A 50 -3.286 -4.703 -7.688 1.00 4.31 H new ATOM 0 HB2 LEU A 50 -5.648 -2.972 -6.944 1.00 45.25 H new ATOM 0 HB3 LEU A 50 -5.877 -4.697 -7.154 1.00 45.25 H new ATOM 0 HG LEU A 50 -4.015 -5.036 -5.445 1.00 63.02 H new ATOM 0 HD11 LEU A 50 -3.599 -3.226 -3.829 1.00 74.24 H new ATOM 0 HD12 LEU A 50 -2.997 -2.843 -5.460 1.00 74.24 H new ATOM 0 HD13 LEU A 50 -4.506 -2.105 -4.872 1.00 74.24 H new ATOM 0 HD21 LEU A 50 -5.531 -4.668 -3.502 1.00 34.43 H new ATOM 0 HD22 LEU A 50 -6.586 -3.677 -4.536 1.00 34.43 H new ATOM 0 HD23 LEU A 50 -6.371 -5.408 -4.885 1.00 34.43 H new ATOM 856 N LYS A 51 -4.804 -3.342 -10.210 1.00 2.13 N ATOM 857 CA LYS A 51 -5.266 -3.521 -11.596 1.00 2.30 C ATOM 858 C LYS A 51 -4.274 -4.382 -12.438 1.00 43.05 C ATOM 859 O LYS A 51 -4.687 -5.072 -13.378 1.00 63.01 O ATOM 860 CB LYS A 51 -5.449 -2.111 -12.239 1.00 24.54 C ATOM 861 CG LYS A 51 -6.149 -2.066 -13.627 1.00 34.34 C ATOM 862 CD LYS A 51 -7.701 -1.982 -13.562 1.00 24.22 C ATOM 863 CE LYS A 51 -8.385 -3.238 -12.989 1.00 41.14 C ATOM 864 NZ LYS A 51 -8.045 -4.457 -13.773 1.00 60.55 N ATOM 0 H LYS A 51 -4.625 -2.367 -9.968 1.00 2.13 H new ATOM 0 HA LYS A 51 -6.213 -4.060 -11.585 1.00 2.30 H new ATOM 0 HB2 LYS A 51 -6.022 -1.493 -11.548 1.00 24.54 H new ATOM 0 HB3 LYS A 51 -4.466 -1.651 -12.338 1.00 24.54 H new ATOM 0 HG2 LYS A 51 -5.774 -1.206 -14.182 1.00 34.34 H new ATOM 0 HG3 LYS A 51 -5.869 -2.956 -14.191 1.00 34.34 H new ATOM 0 HD2 LYS A 51 -7.981 -1.122 -12.954 1.00 24.22 H new ATOM 0 HD3 LYS A 51 -8.085 -1.801 -14.566 1.00 24.22 H new ATOM 0 HE2 LYS A 51 -8.081 -3.376 -11.951 1.00 41.14 H new ATOM 0 HE3 LYS A 51 -9.466 -3.095 -12.988 1.00 41.14 H new ATOM 0 HZ1 LYS A 51 -8.638 -5.250 -13.456 1.00 60.55 H new ATOM 0 HZ2 LYS A 51 -8.216 -4.279 -14.783 1.00 60.55 H new ATOM 0 HZ3 LYS A 51 -7.043 -4.694 -13.629 1.00 60.55 H new ATOM 878 N LYS A 52 -2.965 -4.315 -12.094 1.00 55.04 N ATOM 879 CA LYS A 52 -1.875 -5.023 -12.826 1.00 42.42 C ATOM 880 C LYS A 52 -1.095 -6.065 -11.965 1.00 63.10 C ATOM 881 O LYS A 52 -0.491 -6.989 -12.525 1.00 24.21 O ATOM 882 CB LYS A 52 -0.863 -3.977 -13.378 1.00 53.13 C ATOM 883 CG LYS A 52 -1.476 -2.917 -14.323 1.00 3.55 C ATOM 884 CD LYS A 52 -0.421 -1.983 -14.968 1.00 55.35 C ATOM 885 CE LYS A 52 0.370 -1.149 -13.941 1.00 12.24 C ATOM 886 NZ LYS A 52 1.375 -0.281 -14.601 1.00 13.34 N ATOM 0 H LYS A 52 -2.630 -3.769 -11.300 1.00 55.04 H new ATOM 0 HA LYS A 52 -2.363 -5.580 -13.626 1.00 42.42 H new ATOM 0 HB2 LYS A 52 -0.395 -3.466 -12.537 1.00 53.13 H new ATOM 0 HB3 LYS A 52 -0.072 -4.504 -13.911 1.00 53.13 H new ATOM 0 HG2 LYS A 52 -2.033 -3.423 -15.112 1.00 3.55 H new ATOM 0 HG3 LYS A 52 -2.191 -2.314 -13.764 1.00 3.55 H new ATOM 0 HD2 LYS A 52 0.277 -2.584 -15.551 1.00 55.35 H new ATOM 0 HD3 LYS A 52 -0.921 -1.309 -15.664 1.00 55.35 H new ATOM 0 HE2 LYS A 52 -0.319 -0.534 -13.363 1.00 12.24 H new ATOM 0 HE3 LYS A 52 0.870 -1.815 -13.238 1.00 12.24 H new ATOM 0 HZ1 LYS A 52 1.888 0.266 -13.880 1.00 13.34 H new ATOM 0 HZ2 LYS A 52 2.047 -0.870 -15.133 1.00 13.34 H new ATOM 0 HZ3 LYS A 52 0.895 0.371 -15.254 1.00 13.34 H new ATOM 900 N MET A 53 -1.085 -5.912 -10.620 1.00 13.12 N ATOM 901 CA MET A 53 -0.205 -6.725 -9.725 1.00 4.54 C ATOM 902 C MET A 53 -0.658 -8.201 -9.613 1.00 41.04 C ATOM 903 O MET A 53 -1.854 -8.517 -9.669 1.00 61.12 O ATOM 904 CB MET A 53 -0.067 -6.101 -8.295 1.00 53.33 C ATOM 905 CG MET A 53 0.956 -4.956 -8.179 1.00 41.44 C ATOM 906 SD MET A 53 1.373 -4.523 -6.467 1.00 54.40 S ATOM 907 CE MET A 53 -0.203 -4.011 -5.794 1.00 1.12 C ATOM 0 H MET A 53 -1.670 -5.239 -10.126 1.00 13.12 H new ATOM 0 HA MET A 53 0.775 -6.711 -10.203 1.00 4.54 H new ATOM 0 HB2 MET A 53 -1.043 -5.729 -7.982 1.00 53.33 H new ATOM 0 HB3 MET A 53 0.213 -6.890 -7.597 1.00 53.33 H new ATOM 0 HG2 MET A 53 1.867 -5.240 -8.705 1.00 41.44 H new ATOM 0 HG3 MET A 53 0.560 -4.074 -8.682 1.00 41.44 H new ATOM 0 HE1 MET A 53 -0.080 -3.074 -5.252 1.00 1.12 H new ATOM 0 HE2 MET A 53 -0.917 -3.870 -6.606 1.00 1.12 H new ATOM 0 HE3 MET A 53 -0.574 -4.777 -5.114 1.00 1.12 H new ATOM 917 N ASN A 54 0.340 -9.081 -9.427 1.00 31.32 N ATOM 918 CA ASN A 54 0.142 -10.536 -9.279 1.00 23.21 C ATOM 919 C ASN A 54 -0.256 -10.903 -7.834 1.00 12.21 C ATOM 920 O ASN A 54 -0.111 -10.084 -6.924 1.00 12.55 O ATOM 921 CB ASN A 54 1.436 -11.278 -9.682 1.00 44.24 C ATOM 922 CG ASN A 54 1.893 -10.960 -11.105 1.00 64.13 C ATOM 923 OD1 ASN A 54 1.091 -10.666 -11.984 1.00 72.40 O ATOM 924 ND2 ASN A 54 3.185 -11.025 -11.339 1.00 54.22 N ATOM 0 H ASN A 54 1.319 -8.800 -9.374 1.00 31.32 H new ATOM 0 HA ASN A 54 -0.673 -10.842 -9.936 1.00 23.21 H new ATOM 0 HB2 ASN A 54 2.231 -11.014 -8.984 1.00 44.24 H new ATOM 0 HB3 ASN A 54 1.275 -12.352 -9.590 1.00 44.24 H new ATOM 0 HD21 ASN A 54 3.545 -10.828 -12.273 1.00 54.22 H new ATOM 0 HD22 ASN A 54 3.828 -11.272 -10.587 1.00 54.22 H new ATOM 931 N GLU A 55 -0.726 -12.157 -7.646 1.00 53.45 N ATOM 932 CA GLU A 55 -1.206 -12.685 -6.340 1.00 34.04 C ATOM 933 C GLU A 55 -0.200 -12.438 -5.190 1.00 0.52 C ATOM 934 O GLU A 55 -0.580 -11.963 -4.114 1.00 75.23 O ATOM 935 CB GLU A 55 -1.474 -14.205 -6.469 1.00 64.12 C ATOM 936 CG GLU A 55 -2.481 -14.577 -7.576 1.00 42.11 C ATOM 937 CD GLU A 55 -2.753 -16.084 -7.705 1.00 13.35 C ATOM 938 OE1 GLU A 55 -3.297 -16.685 -6.751 1.00 43.20 O ATOM 939 OE2 GLU A 55 -2.454 -16.672 -8.766 1.00 62.04 O ATOM 0 H GLU A 55 -0.785 -12.840 -8.401 1.00 53.45 H new ATOM 0 HA GLU A 55 -2.122 -12.150 -6.090 1.00 34.04 H new ATOM 0 HB2 GLU A 55 -0.530 -14.714 -6.666 1.00 64.12 H new ATOM 0 HB3 GLU A 55 -1.845 -14.580 -5.515 1.00 64.12 H new ATOM 0 HG2 GLU A 55 -3.423 -14.065 -7.380 1.00 42.11 H new ATOM 0 HG3 GLU A 55 -2.108 -14.204 -8.530 1.00 42.11 H new ATOM 946 N GLU A 56 1.087 -12.740 -5.469 1.00 24.53 N ATOM 947 CA GLU A 56 2.198 -12.589 -4.497 1.00 4.23 C ATOM 948 C GLU A 56 2.447 -11.104 -4.089 1.00 34.42 C ATOM 949 O GLU A 56 2.777 -10.819 -2.936 1.00 12.51 O ATOM 950 CB GLU A 56 3.491 -13.240 -5.057 1.00 61.23 C ATOM 951 CG GLU A 56 3.973 -12.677 -6.412 1.00 4.51 C ATOM 952 CD GLU A 56 5.269 -13.350 -6.892 1.00 55.02 C ATOM 953 OE1 GLU A 56 5.194 -14.394 -7.572 1.00 52.05 O ATOM 954 OE2 GLU A 56 6.366 -12.848 -6.575 1.00 65.55 O ATOM 0 H GLU A 56 1.388 -13.096 -6.376 1.00 24.53 H new ATOM 0 HA GLU A 56 1.903 -13.109 -3.586 1.00 4.23 H new ATOM 0 HB2 GLU A 56 4.289 -13.115 -4.325 1.00 61.23 H new ATOM 0 HB3 GLU A 56 3.322 -14.311 -5.165 1.00 61.23 H new ATOM 0 HG2 GLU A 56 3.193 -12.819 -7.160 1.00 4.51 H new ATOM 0 HG3 GLU A 56 4.136 -11.603 -6.320 1.00 4.51 H new ATOM 961 N GLU A 57 2.281 -10.175 -5.050 1.00 31.22 N ATOM 962 CA GLU A 57 2.411 -8.714 -4.809 1.00 34.43 C ATOM 963 C GLU A 57 1.214 -8.169 -3.992 1.00 11.24 C ATOM 964 O GLU A 57 1.381 -7.310 -3.130 1.00 21.40 O ATOM 965 CB GLU A 57 2.509 -7.970 -6.159 1.00 20.14 C ATOM 966 CG GLU A 57 3.694 -8.392 -7.045 1.00 23.22 C ATOM 967 CD GLU A 57 3.723 -7.631 -8.380 1.00 14.22 C ATOM 968 OE1 GLU A 57 4.095 -6.440 -8.375 1.00 53.22 O ATOM 969 OE2 GLU A 57 3.363 -8.212 -9.428 1.00 43.34 O ATOM 0 H GLU A 57 2.053 -10.410 -6.016 1.00 31.22 H new ATOM 0 HA GLU A 57 3.319 -8.544 -4.230 1.00 34.43 H new ATOM 0 HB2 GLU A 57 1.584 -8.130 -6.714 1.00 20.14 H new ATOM 0 HB3 GLU A 57 2.583 -6.900 -5.964 1.00 20.14 H new ATOM 0 HG2 GLU A 57 4.627 -8.216 -6.509 1.00 23.22 H new ATOM 0 HG3 GLU A 57 3.636 -9.463 -7.241 1.00 23.22 H new ATOM 976 N LEU A 58 0.008 -8.669 -4.313 1.00 1.02 N ATOM 977 CA LEU A 58 -1.248 -8.343 -3.592 1.00 1.42 C ATOM 978 C LEU A 58 -1.225 -8.735 -2.087 1.00 30.41 C ATOM 979 O LEU A 58 -1.667 -7.964 -1.239 1.00 24.04 O ATOM 980 CB LEU A 58 -2.467 -9.018 -4.283 1.00 1.35 C ATOM 981 CG LEU A 58 -2.755 -8.602 -5.759 1.00 42.20 C ATOM 982 CD1 LEU A 58 -4.137 -9.097 -6.215 1.00 62.41 C ATOM 983 CD2 LEU A 58 -2.620 -7.084 -5.961 1.00 45.33 C ATOM 0 H LEU A 58 -0.130 -9.318 -5.088 1.00 1.02 H new ATOM 0 HA LEU A 58 -1.340 -7.258 -3.637 1.00 1.42 H new ATOM 0 HB2 LEU A 58 -2.318 -10.097 -4.257 1.00 1.35 H new ATOM 0 HB3 LEU A 58 -3.356 -8.804 -3.690 1.00 1.35 H new ATOM 0 HG LEU A 58 -2.001 -9.082 -6.382 1.00 42.20 H new ATOM 0 HD11 LEU A 58 -4.310 -8.792 -7.247 1.00 62.41 H new ATOM 0 HD12 LEU A 58 -4.175 -10.184 -6.146 1.00 62.41 H new ATOM 0 HD13 LEU A 58 -4.907 -8.666 -5.575 1.00 62.41 H new ATOM 0 HD21 LEU A 58 -2.828 -6.835 -7.002 1.00 45.33 H new ATOM 0 HD22 LEU A 58 -3.329 -6.567 -5.315 1.00 45.33 H new ATOM 0 HD23 LEU A 58 -1.606 -6.772 -5.710 1.00 45.33 H new ATOM 995 N GLU A 59 -0.741 -9.944 -1.764 1.00 52.15 N ATOM 996 CA GLU A 59 -0.648 -10.418 -0.355 1.00 3.44 C ATOM 997 C GLU A 59 0.503 -9.717 0.401 1.00 50.32 C ATOM 998 O GLU A 59 0.470 -9.592 1.629 1.00 11.13 O ATOM 999 CB GLU A 59 -0.520 -11.961 -0.316 1.00 63.33 C ATOM 1000 CG GLU A 59 0.688 -12.534 -1.085 1.00 4.34 C ATOM 1001 CD GLU A 59 0.541 -14.026 -1.418 1.00 13.11 C ATOM 1002 OE1 GLU A 59 -0.356 -14.363 -2.224 1.00 12.13 O ATOM 1003 OE2 GLU A 59 1.309 -14.855 -0.888 1.00 33.01 O ATOM 0 H GLU A 59 -0.406 -10.618 -2.452 1.00 52.15 H new ATOM 0 HA GLU A 59 -1.568 -10.148 0.164 1.00 3.44 H new ATOM 0 HB2 GLU A 59 -0.453 -12.279 0.724 1.00 63.33 H new ATOM 0 HB3 GLU A 59 -1.432 -12.397 -0.725 1.00 63.33 H new ATOM 0 HG2 GLU A 59 0.821 -11.973 -2.010 1.00 4.34 H new ATOM 0 HG3 GLU A 59 1.591 -12.388 -0.492 1.00 4.34 H new ATOM 1010 N GLU A 60 1.525 -9.269 -0.346 1.00 25.31 N ATOM 1011 CA GLU A 60 2.560 -8.364 0.188 1.00 54.44 C ATOM 1012 C GLU A 60 1.957 -6.959 0.476 1.00 73.43 C ATOM 1013 O GLU A 60 2.313 -6.304 1.463 1.00 54.10 O ATOM 1014 CB GLU A 60 3.743 -8.266 -0.806 1.00 41.50 C ATOM 1015 CG GLU A 60 4.947 -7.456 -0.290 1.00 5.31 C ATOM 1016 CD GLU A 60 5.503 -7.984 1.046 1.00 5.12 C ATOM 1017 OE1 GLU A 60 5.983 -9.137 1.090 1.00 24.01 O ATOM 1018 OE2 GLU A 60 5.460 -7.259 2.062 1.00 22.35 O ATOM 0 H GLU A 60 1.658 -9.519 -1.326 1.00 25.31 H new ATOM 0 HA GLU A 60 2.933 -8.769 1.128 1.00 54.44 H new ATOM 0 HB2 GLU A 60 4.078 -9.274 -1.052 1.00 41.50 H new ATOM 0 HB3 GLU A 60 3.387 -7.813 -1.731 1.00 41.50 H new ATOM 0 HG2 GLU A 60 5.738 -7.476 -1.039 1.00 5.31 H new ATOM 0 HG3 GLU A 60 4.651 -6.414 -0.167 1.00 5.31 H new ATOM 1025 N TYR A 61 1.031 -6.513 -0.403 1.00 23.34 N ATOM 1026 CA TYR A 61 0.267 -5.261 -0.215 1.00 52.14 C ATOM 1027 C TYR A 61 -0.646 -5.346 1.023 1.00 54.45 C ATOM 1028 O TYR A 61 -0.843 -4.349 1.714 1.00 34.15 O ATOM 1029 CB TYR A 61 -0.550 -4.919 -1.488 1.00 72.24 C ATOM 1030 CG TYR A 61 -1.350 -3.613 -1.380 1.00 13.12 C ATOM 1031 CD1 TYR A 61 -0.694 -2.394 -1.198 1.00 64.34 C ATOM 1032 CD2 TYR A 61 -2.749 -3.598 -1.426 1.00 63.10 C ATOM 1033 CE1 TYR A 61 -1.397 -1.217 -1.075 1.00 33.00 C ATOM 1034 CE2 TYR A 61 -3.454 -2.416 -1.302 1.00 64.31 C ATOM 1035 CZ TYR A 61 -2.773 -1.232 -1.128 1.00 72.01 C ATOM 1036 OH TYR A 61 -3.467 -0.058 -1.003 1.00 71.11 O ATOM 0 H TYR A 61 0.793 -7.011 -1.261 1.00 23.34 H new ATOM 0 HA TYR A 61 0.980 -4.455 -0.044 1.00 52.14 H new ATOM 0 HB2 TYR A 61 0.130 -4.848 -2.337 1.00 72.24 H new ATOM 0 HB3 TYR A 61 -1.237 -5.739 -1.698 1.00 72.24 H new ATOM 0 HD1 TYR A 61 0.385 -2.374 -1.153 1.00 64.34 H new ATOM 0 HD2 TYR A 61 -3.286 -4.525 -1.561 1.00 63.10 H new ATOM 0 HE1 TYR A 61 -0.871 -0.284 -0.937 1.00 33.00 H new ATOM 0 HE2 TYR A 61 -4.533 -2.421 -1.341 1.00 64.31 H new ATOM 0 HH TYR A 61 -3.331 0.489 -1.805 1.00 71.11 H new ATOM 1046 N ASP A 62 -1.180 -6.549 1.295 1.00 43.13 N ATOM 1047 CA ASP A 62 -1.944 -6.836 2.527 1.00 71.04 C ATOM 1048 C ASP A 62 -1.076 -6.521 3.774 1.00 44.21 C ATOM 1049 O ASP A 62 -1.513 -5.822 4.682 1.00 53.21 O ATOM 1050 CB ASP A 62 -2.410 -8.322 2.523 1.00 1.40 C ATOM 1051 CG ASP A 62 -3.401 -8.721 3.639 1.00 5.51 C ATOM 1052 OD1 ASP A 62 -3.909 -7.844 4.379 1.00 2.01 O ATOM 1053 OD2 ASP A 62 -3.719 -9.928 3.744 1.00 5.25 O ATOM 0 H ASP A 62 -1.096 -7.350 0.670 1.00 43.13 H new ATOM 0 HA ASP A 62 -2.829 -6.201 2.564 1.00 71.04 H new ATOM 0 HB2 ASP A 62 -2.873 -8.535 1.559 1.00 1.40 H new ATOM 0 HB3 ASP A 62 -1.529 -8.959 2.601 1.00 1.40 H new ATOM 1058 N SER A 63 0.183 -7.000 3.754 1.00 23.25 N ATOM 1059 CA SER A 63 1.186 -6.715 4.815 1.00 20.34 C ATOM 1060 C SER A 63 1.466 -5.200 4.980 1.00 52.42 C ATOM 1061 O SER A 63 1.706 -4.737 6.095 1.00 61.21 O ATOM 1062 CB SER A 63 2.500 -7.462 4.516 1.00 72.20 C ATOM 1063 OG SER A 63 2.290 -8.866 4.483 1.00 63.25 O ATOM 0 H SER A 63 0.539 -7.595 3.006 1.00 23.25 H new ATOM 0 HA SER A 63 0.764 -7.069 5.756 1.00 20.34 H new ATOM 0 HB2 SER A 63 2.903 -7.128 3.560 1.00 72.20 H new ATOM 0 HB3 SER A 63 3.242 -7.219 5.277 1.00 72.20 H new ATOM 0 HG SER A 63 3.137 -9.319 4.290 1.00 63.25 H new ATOM 1069 N LEU A 64 1.424 -4.440 3.859 1.00 31.13 N ATOM 1070 CA LEU A 64 1.560 -2.960 3.868 1.00 54.43 C ATOM 1071 C LEU A 64 0.335 -2.286 4.548 1.00 22.14 C ATOM 1072 O LEU A 64 0.467 -1.267 5.224 1.00 45.15 O ATOM 1073 CB LEU A 64 1.738 -2.430 2.417 1.00 23.40 C ATOM 1074 CG LEU A 64 2.044 -0.906 2.259 1.00 71.44 C ATOM 1075 CD1 LEU A 64 3.372 -0.520 2.954 1.00 1.02 C ATOM 1076 CD2 LEU A 64 2.044 -0.485 0.767 1.00 32.33 C ATOM 0 H LEU A 64 1.296 -4.832 2.926 1.00 31.13 H new ATOM 0 HA LEU A 64 2.446 -2.704 4.449 1.00 54.43 H new ATOM 0 HB2 LEU A 64 2.547 -2.990 1.947 1.00 23.40 H new ATOM 0 HB3 LEU A 64 0.829 -2.654 1.859 1.00 23.40 H new ATOM 0 HG LEU A 64 1.244 -0.357 2.757 1.00 71.44 H new ATOM 0 HD11 LEU A 64 3.554 0.547 2.824 1.00 1.02 H new ATOM 0 HD12 LEU A 64 3.306 -0.750 4.017 1.00 1.02 H new ATOM 0 HD13 LEU A 64 4.192 -1.084 2.510 1.00 1.02 H new ATOM 0 HD21 LEU A 64 2.260 0.581 0.690 1.00 32.33 H new ATOM 0 HD22 LEU A 64 2.806 -1.050 0.230 1.00 32.33 H new ATOM 0 HD23 LEU A 64 1.066 -0.690 0.331 1.00 32.33 H new ATOM 1088 N LEU A 65 -0.853 -2.881 4.356 1.00 73.22 N ATOM 1089 CA LEU A 65 -2.111 -2.450 5.018 1.00 41.01 C ATOM 1090 C LEU A 65 -2.098 -2.786 6.536 1.00 12.30 C ATOM 1091 O LEU A 65 -2.806 -2.164 7.328 1.00 33.40 O ATOM 1092 CB LEU A 65 -3.307 -3.130 4.298 1.00 71.43 C ATOM 1093 CG LEU A 65 -3.396 -2.834 2.762 1.00 70.11 C ATOM 1094 CD1 LEU A 65 -4.377 -3.775 2.045 1.00 21.24 C ATOM 1095 CD2 LEU A 65 -3.741 -1.358 2.499 1.00 25.22 C ATOM 0 H LEU A 65 -0.977 -3.680 3.735 1.00 73.22 H new ATOM 0 HA LEU A 65 -2.209 -1.367 4.941 1.00 41.01 H new ATOM 0 HB2 LEU A 65 -3.237 -4.208 4.444 1.00 71.43 H new ATOM 0 HB3 LEU A 65 -4.233 -2.804 4.772 1.00 71.43 H new ATOM 0 HG LEU A 65 -2.409 -3.028 2.342 1.00 70.11 H new ATOM 0 HD11 LEU A 65 -4.405 -3.531 0.983 1.00 21.24 H new ATOM 0 HD12 LEU A 65 -4.050 -4.807 2.172 1.00 21.24 H new ATOM 0 HD13 LEU A 65 -5.373 -3.655 2.471 1.00 21.24 H new ATOM 0 HD21 LEU A 65 -3.796 -1.183 1.425 1.00 25.22 H new ATOM 0 HD22 LEU A 65 -4.703 -1.122 2.955 1.00 25.22 H new ATOM 0 HD23 LEU A 65 -2.969 -0.721 2.931 1.00 25.22 H new ATOM 1107 N ASN A 66 -1.277 -3.778 6.933 1.00 15.15 N ATOM 1108 CA ASN A 66 -1.043 -4.115 8.361 1.00 31.34 C ATOM 1109 C ASN A 66 0.136 -3.290 8.975 1.00 5.55 C ATOM 1110 O ASN A 66 0.539 -3.546 10.117 1.00 35.22 O ATOM 1111 CB ASN A 66 -0.793 -5.641 8.530 1.00 74.11 C ATOM 1112 CG ASN A 66 -2.012 -6.501 8.165 1.00 21.51 C ATOM 1113 OD1 ASN A 66 -2.923 -6.671 8.963 1.00 54.44 O ATOM 1114 ND2 ASN A 66 -2.017 -7.091 6.988 1.00 61.02 N ATOM 0 H ASN A 66 -0.758 -4.368 6.282 1.00 15.15 H new ATOM 0 HA ASN A 66 -1.945 -3.845 8.909 1.00 31.34 H new ATOM 0 HB2 ASN A 66 0.050 -5.935 7.905 1.00 74.11 H new ATOM 0 HB3 ASN A 66 -0.511 -5.844 9.563 1.00 74.11 H new ATOM 0 HD21 ASN A 66 -2.790 -7.703 6.728 1.00 61.02 H new ATOM 0 HD22 ASN A 66 -1.248 -6.936 6.337 1.00 61.02 H new ATOM 1121 N GLU A 67 0.678 -2.299 8.226 1.00 63.33 N ATOM 1122 CA GLU A 67 1.728 -1.368 8.745 1.00 44.00 C ATOM 1123 C GLU A 67 1.127 -0.080 9.350 1.00 3.22 C ATOM 1124 O GLU A 67 -0.077 0.191 9.231 1.00 13.03 O ATOM 1125 CB GLU A 67 2.739 -0.973 7.624 1.00 4.25 C ATOM 1126 CG GLU A 67 3.475 -2.149 6.967 1.00 50.15 C ATOM 1127 CD GLU A 67 4.227 -3.043 7.961 1.00 12.00 C ATOM 1128 OE1 GLU A 67 5.329 -2.665 8.405 1.00 71.34 O ATOM 1129 OE2 GLU A 67 3.741 -4.148 8.285 1.00 30.04 O ATOM 0 H GLU A 67 0.410 -2.118 7.259 1.00 63.33 H new ATOM 0 HA GLU A 67 2.247 -1.912 9.534 1.00 44.00 H new ATOM 0 HB2 GLU A 67 2.203 -0.422 6.851 1.00 4.25 H new ATOM 0 HB3 GLU A 67 3.478 -0.292 8.046 1.00 4.25 H new ATOM 0 HG2 GLU A 67 2.754 -2.757 6.420 1.00 50.15 H new ATOM 0 HG3 GLU A 67 4.183 -1.759 6.236 1.00 50.15 H new ATOM 1136 N LEU A 68 2.008 0.712 9.988 1.00 33.32 N ATOM 1137 CA LEU A 68 1.660 2.013 10.592 1.00 0.10 C ATOM 1138 C LEU A 68 1.530 3.111 9.507 1.00 10.22 C ATOM 1139 O LEU A 68 2.423 3.280 8.683 1.00 13.10 O ATOM 1140 CB LEU A 68 2.722 2.394 11.653 1.00 10.03 C ATOM 1141 CG LEU A 68 2.874 1.382 12.837 1.00 23.24 C ATOM 1142 CD1 LEU A 68 4.061 1.753 13.749 1.00 45.34 C ATOM 1143 CD2 LEU A 68 1.556 1.272 13.645 1.00 63.35 C ATOM 0 H LEU A 68 2.991 0.465 10.100 1.00 33.32 H new ATOM 0 HA LEU A 68 0.691 1.928 11.083 1.00 0.10 H new ATOM 0 HB2 LEU A 68 3.687 2.496 11.157 1.00 10.03 H new ATOM 0 HB3 LEU A 68 2.469 3.372 12.062 1.00 10.03 H new ATOM 0 HG LEU A 68 3.087 0.402 12.410 1.00 23.24 H new ATOM 0 HD11 LEU A 68 4.137 1.029 14.560 1.00 45.34 H new ATOM 0 HD12 LEU A 68 4.983 1.744 13.168 1.00 45.34 H new ATOM 0 HD13 LEU A 68 3.903 2.748 14.164 1.00 45.34 H new ATOM 0 HD21 LEU A 68 1.688 0.563 14.462 1.00 63.35 H new ATOM 0 HD22 LEU A 68 1.296 2.249 14.052 1.00 63.35 H new ATOM 0 HD23 LEU A 68 0.756 0.927 12.990 1.00 63.35 H new ATOM 1155 N ASP A 69 0.403 3.829 9.544 1.00 33.23 N ATOM 1156 CA ASP A 69 -0.025 4.800 8.501 1.00 4.43 C ATOM 1157 C ASP A 69 1.030 5.877 8.156 1.00 11.30 C ATOM 1158 O ASP A 69 1.370 6.053 6.978 1.00 72.43 O ATOM 1159 CB ASP A 69 -1.338 5.457 8.948 1.00 64.33 C ATOM 1160 CG ASP A 69 -2.397 4.397 9.255 1.00 20.13 C ATOM 1161 OD1 ASP A 69 -2.951 3.819 8.308 1.00 11.55 O ATOM 1162 OD2 ASP A 69 -2.649 4.109 10.444 1.00 63.34 O ATOM 0 H ASP A 69 -0.262 3.758 10.314 1.00 33.23 H new ATOM 0 HA ASP A 69 -0.162 4.235 7.579 1.00 4.43 H new ATOM 0 HB2 ASP A 69 -1.161 6.068 9.833 1.00 64.33 H new ATOM 0 HB3 ASP A 69 -1.701 6.125 8.166 1.00 64.33 H new ATOM 1167 N TRP A 70 1.545 6.594 9.180 1.00 35.33 N ATOM 1168 CA TRP A 70 2.613 7.610 8.980 1.00 73.44 C ATOM 1169 C TRP A 70 3.895 6.988 8.389 1.00 12.14 C ATOM 1170 O TRP A 70 4.546 7.613 7.565 1.00 3.21 O ATOM 1171 CB TRP A 70 2.945 8.366 10.291 1.00 32.23 C ATOM 1172 CG TRP A 70 1.888 9.364 10.697 1.00 4.14 C ATOM 1173 CD1 TRP A 70 0.972 9.248 11.708 1.00 44.04 C ATOM 1174 CD2 TRP A 70 1.638 10.634 10.069 1.00 64.43 C ATOM 1175 NE1 TRP A 70 0.181 10.368 11.750 1.00 25.53 N ATOM 1176 CE2 TRP A 70 0.567 11.230 10.754 1.00 61.51 C ATOM 1177 CE3 TRP A 70 2.220 11.324 8.990 1.00 62.43 C ATOM 1178 CZ2 TRP A 70 0.059 12.476 10.398 1.00 70.32 C ATOM 1179 CZ3 TRP A 70 1.715 12.560 8.636 1.00 60.41 C ATOM 1180 CH2 TRP A 70 0.643 13.125 9.339 1.00 24.52 C ATOM 0 H TRP A 70 1.243 6.492 10.149 1.00 35.33 H new ATOM 0 HA TRP A 70 2.219 8.329 8.262 1.00 73.44 H new ATOM 0 HB2 TRP A 70 3.077 7.642 11.095 1.00 32.23 H new ATOM 0 HB3 TRP A 70 3.896 8.885 10.170 1.00 32.23 H new ATOM 0 HD1 TRP A 70 0.885 8.401 12.373 1.00 44.04 H new ATOM 0 HE1 TRP A 70 -0.574 10.534 12.416 1.00 25.53 H new ATOM 0 HE3 TRP A 70 3.049 10.894 8.447 1.00 62.43 H new ATOM 0 HZ2 TRP A 70 -0.767 12.917 10.937 1.00 70.32 H new ATOM 0 HZ3 TRP A 70 2.152 13.097 7.807 1.00 60.41 H new ATOM 0 HH2 TRP A 70 0.268 14.093 9.041 1.00 24.52 H new ATOM 1191 N ASP A 71 4.224 5.745 8.792 1.00 25.40 N ATOM 1192 CA ASP A 71 5.400 5.020 8.264 1.00 1.14 C ATOM 1193 C ASP A 71 5.251 4.769 6.751 1.00 31.25 C ATOM 1194 O ASP A 71 6.126 5.149 5.983 1.00 14.22 O ATOM 1195 CB ASP A 71 5.613 3.702 9.048 1.00 21.35 C ATOM 1196 CG ASP A 71 6.020 3.950 10.508 1.00 42.31 C ATOM 1197 OD1 ASP A 71 5.240 4.589 11.246 1.00 73.21 O ATOM 1198 OD2 ASP A 71 7.122 3.525 10.922 1.00 4.22 O ATOM 0 H ASP A 71 3.690 5.219 9.484 1.00 25.40 H new ATOM 0 HA ASP A 71 6.288 5.637 8.404 1.00 1.14 H new ATOM 0 HB2 ASP A 71 4.695 3.115 9.024 1.00 21.35 H new ATOM 0 HB3 ASP A 71 6.383 3.109 8.554 1.00 21.35 H new ATOM 1203 N ILE A 72 4.100 4.196 6.346 1.00 25.44 N ATOM 1204 CA ILE A 72 3.727 3.987 4.916 1.00 74.11 C ATOM 1205 C ILE A 72 3.892 5.295 4.093 1.00 72.12 C ATOM 1206 O ILE A 72 4.470 5.303 2.996 1.00 22.34 O ATOM 1207 CB ILE A 72 2.225 3.510 4.812 1.00 23.31 C ATOM 1208 CG1 ILE A 72 1.974 2.223 5.660 1.00 10.22 C ATOM 1209 CG2 ILE A 72 1.794 3.291 3.337 1.00 5.21 C ATOM 1210 CD1 ILE A 72 0.504 1.860 5.845 1.00 41.22 C ATOM 0 H ILE A 72 3.393 3.860 6.999 1.00 25.44 H new ATOM 0 HA ILE A 72 4.393 3.226 4.510 1.00 74.11 H new ATOM 0 HB ILE A 72 1.608 4.309 5.223 1.00 23.31 H new ATOM 0 HG12 ILE A 72 2.484 1.385 5.184 1.00 10.22 H new ATOM 0 HG13 ILE A 72 2.428 2.357 6.642 1.00 10.22 H new ATOM 0 HG21 ILE A 72 0.755 2.963 3.306 1.00 5.21 H new ATOM 0 HG22 ILE A 72 1.896 4.226 2.785 1.00 5.21 H new ATOM 0 HG23 ILE A 72 2.428 2.530 2.882 1.00 5.21 H new ATOM 0 HD11 ILE A 72 0.426 0.954 6.446 1.00 41.22 H new ATOM 0 HD12 ILE A 72 -0.012 2.676 6.351 1.00 41.22 H new ATOM 0 HD13 ILE A 72 0.046 1.690 4.871 1.00 41.22 H new ATOM 1222 N TYR A 73 3.406 6.399 4.685 1.00 32.34 N ATOM 1223 CA TYR A 73 3.411 7.736 4.069 1.00 13.51 C ATOM 1224 C TYR A 73 4.853 8.300 3.918 1.00 21.03 C ATOM 1225 O TYR A 73 5.204 8.849 2.875 1.00 65.33 O ATOM 1226 CB TYR A 73 2.521 8.681 4.922 1.00 54.32 C ATOM 1227 CG TYR A 73 2.311 10.074 4.321 1.00 21.32 C ATOM 1228 CD1 TYR A 73 1.591 10.239 3.132 1.00 54.13 C ATOM 1229 CD2 TYR A 73 2.834 11.224 4.928 1.00 35.41 C ATOM 1230 CE1 TYR A 73 1.402 11.491 2.578 1.00 12.21 C ATOM 1231 CE2 TYR A 73 2.644 12.476 4.374 1.00 40.20 C ATOM 1232 CZ TYR A 73 1.929 12.604 3.201 1.00 64.31 C ATOM 1233 OH TYR A 73 1.734 13.849 2.645 1.00 72.02 O ATOM 0 H TYR A 73 2.993 6.387 5.618 1.00 32.34 H new ATOM 0 HA TYR A 73 3.005 7.663 3.060 1.00 13.51 H new ATOM 0 HB2 TYR A 73 1.548 8.211 5.065 1.00 54.32 H new ATOM 0 HB3 TYR A 73 2.971 8.790 5.909 1.00 54.32 H new ATOM 0 HD1 TYR A 73 1.176 9.373 2.639 1.00 54.13 H new ATOM 0 HD2 TYR A 73 3.396 11.130 5.846 1.00 35.41 H new ATOM 0 HE1 TYR A 73 0.843 11.598 1.660 1.00 12.21 H new ATOM 0 HE2 TYR A 73 3.054 13.351 4.857 1.00 40.20 H new ATOM 0 HH TYR A 73 0.789 13.958 2.410 1.00 72.02 H new ATOM 1243 N TYR A 74 5.682 8.135 4.964 1.00 53.11 N ATOM 1244 CA TYR A 74 7.069 8.667 5.001 1.00 62.52 C ATOM 1245 C TYR A 74 8.062 7.827 4.153 1.00 65.35 C ATOM 1246 O TYR A 74 9.059 8.374 3.658 1.00 20.31 O ATOM 1247 CB TYR A 74 7.563 8.798 6.469 1.00 62.22 C ATOM 1248 CG TYR A 74 7.024 10.033 7.220 1.00 75.31 C ATOM 1249 CD1 TYR A 74 7.294 11.326 6.755 1.00 55.54 C ATOM 1250 CD2 TYR A 74 6.277 9.918 8.394 1.00 3.51 C ATOM 1251 CE1 TYR A 74 6.831 12.444 7.427 1.00 34.24 C ATOM 1252 CE2 TYR A 74 5.812 11.029 9.064 1.00 30.04 C ATOM 1253 CZ TYR A 74 6.089 12.289 8.581 1.00 35.41 C ATOM 1254 OH TYR A 74 5.623 13.398 9.259 1.00 34.21 O ATOM 0 H TYR A 74 5.416 7.631 5.810 1.00 53.11 H new ATOM 0 HA TYR A 74 7.040 9.658 4.547 1.00 62.52 H new ATOM 0 HB2 TYR A 74 7.274 7.901 7.017 1.00 62.22 H new ATOM 0 HB3 TYR A 74 8.652 8.835 6.470 1.00 62.22 H new ATOM 0 HD1 TYR A 74 7.875 11.453 5.854 1.00 55.54 H new ATOM 0 HD2 TYR A 74 6.059 8.936 8.786 1.00 3.51 H new ATOM 0 HE1 TYR A 74 7.049 13.433 7.051 1.00 34.24 H new ATOM 0 HE2 TYR A 74 5.231 10.912 9.967 1.00 30.04 H new ATOM 0 HH TYR A 74 5.119 13.111 10.049 1.00 34.21 H new ATOM 1264 N TRP A 75 7.794 6.513 3.993 1.00 3.41 N ATOM 1265 CA TRP A 75 8.583 5.644 3.083 1.00 32.13 C ATOM 1266 C TRP A 75 8.321 6.050 1.611 1.00 71.51 C ATOM 1267 O TRP A 75 9.251 6.141 0.805 1.00 0.14 O ATOM 1268 CB TRP A 75 8.234 4.133 3.251 1.00 31.01 C ATOM 1269 CG TRP A 75 8.327 3.545 4.647 1.00 24.41 C ATOM 1270 CD1 TRP A 75 9.103 3.962 5.698 1.00 30.42 C ATOM 1271 CD2 TRP A 75 7.602 2.397 5.128 1.00 53.45 C ATOM 1272 NE1 TRP A 75 8.892 3.158 6.789 1.00 61.23 N ATOM 1273 CE2 TRP A 75 7.978 2.191 6.465 1.00 4.14 C ATOM 1274 CE3 TRP A 75 6.663 1.529 4.549 1.00 54.42 C ATOM 1275 CZ2 TRP A 75 7.450 1.162 7.237 1.00 51.10 C ATOM 1276 CZ3 TRP A 75 6.141 0.506 5.320 1.00 33.45 C ATOM 1277 CH2 TRP A 75 6.537 0.330 6.652 1.00 63.11 C ATOM 0 H TRP A 75 7.040 6.028 4.480 1.00 3.41 H new ATOM 0 HA TRP A 75 9.632 5.782 3.344 1.00 32.13 H new ATOM 0 HB2 TRP A 75 7.218 3.980 2.888 1.00 31.01 H new ATOM 0 HB3 TRP A 75 8.895 3.560 2.600 1.00 31.01 H new ATOM 0 HD1 TRP A 75 9.782 4.802 5.671 1.00 30.42 H new ATOM 0 HE1 TRP A 75 9.344 3.264 7.697 1.00 61.23 H new ATOM 0 HE3 TRP A 75 6.354 1.657 3.522 1.00 54.42 H new ATOM 0 HZ2 TRP A 75 7.751 1.025 8.265 1.00 51.10 H new ATOM 0 HZ3 TRP A 75 5.416 -0.168 4.888 1.00 33.45 H new ATOM 0 HH2 TRP A 75 6.113 -0.479 7.228 1.00 63.11 H new ATOM 1288 N ALA A 76 7.027 6.291 1.306 1.00 21.13 N ATOM 1289 CA ALA A 76 6.544 6.685 -0.038 1.00 50.54 C ATOM 1290 C ALA A 76 7.111 8.050 -0.487 1.00 65.22 C ATOM 1291 O ALA A 76 7.676 8.184 -1.576 1.00 13.41 O ATOM 1292 CB ALA A 76 5.011 6.735 -0.030 1.00 34.41 C ATOM 0 H ALA A 76 6.278 6.217 1.995 1.00 21.13 H new ATOM 0 HA ALA A 76 6.895 5.939 -0.751 1.00 50.54 H new ATOM 0 HB1 ALA A 76 4.651 7.025 -1.017 1.00 34.41 H new ATOM 0 HB2 ALA A 76 4.616 5.752 0.226 1.00 34.41 H new ATOM 0 HB3 ALA A 76 4.675 7.464 0.707 1.00 34.41 H new ATOM 1298 N THR A 77 6.943 9.064 0.377 1.00 14.13 N ATOM 1299 CA THR A 77 7.469 10.433 0.142 1.00 4.52 C ATOM 1300 C THR A 77 9.017 10.479 0.211 1.00 33.32 C ATOM 1301 O THR A 77 9.632 11.467 -0.209 1.00 55.52 O ATOM 1302 CB THR A 77 6.890 11.450 1.181 1.00 41.45 C ATOM 1303 OG1 THR A 77 7.256 11.050 2.521 1.00 1.14 O ATOM 1304 CG2 THR A 77 5.353 11.573 1.076 1.00 61.32 C ATOM 0 H THR A 77 6.440 8.966 1.259 1.00 14.13 H new ATOM 0 HA THR A 77 7.151 10.714 -0.862 1.00 4.52 H new ATOM 0 HB THR A 77 7.318 12.427 0.956 1.00 41.45 H new ATOM 0 HG1 THR A 77 6.891 11.692 3.165 1.00 1.14 H new ATOM 0 HG21 THR A 77 4.994 12.289 1.815 1.00 61.32 H new ATOM 0 HG22 THR A 77 5.083 11.916 0.077 1.00 61.32 H new ATOM 0 HG23 THR A 77 4.897 10.601 1.261 1.00 61.32 H new ATOM 1312 N LYS A 78 9.617 9.407 0.792 1.00 32.22 N ATOM 1313 CA LYS A 78 11.081 9.241 0.970 1.00 32.52 C ATOM 1314 C LYS A 78 11.662 10.328 1.933 1.00 54.03 C ATOM 1315 O LYS A 78 12.866 10.609 1.951 1.00 72.04 O ATOM 1316 CB LYS A 78 11.800 9.206 -0.417 1.00 61.34 C ATOM 1317 CG LYS A 78 13.238 8.631 -0.410 1.00 60.34 C ATOM 1318 CD LYS A 78 13.916 8.701 -1.799 1.00 74.03 C ATOM 1319 CE LYS A 78 14.045 10.150 -2.326 1.00 25.41 C ATOM 1320 NZ LYS A 78 14.671 10.207 -3.665 1.00 33.31 N ATOM 0 H LYS A 78 9.083 8.618 1.157 1.00 32.22 H new ATOM 0 HA LYS A 78 11.271 8.281 1.450 1.00 32.52 H new ATOM 0 HB2 LYS A 78 11.195 8.616 -1.105 1.00 61.34 H new ATOM 0 HB3 LYS A 78 11.835 10.221 -0.814 1.00 61.34 H new ATOM 0 HG2 LYS A 78 13.841 9.181 0.312 1.00 60.34 H new ATOM 0 HG3 LYS A 78 13.208 7.594 -0.077 1.00 60.34 H new ATOM 0 HD2 LYS A 78 14.907 8.251 -1.739 1.00 74.03 H new ATOM 0 HD3 LYS A 78 13.340 8.109 -2.511 1.00 74.03 H new ATOM 0 HE2 LYS A 78 13.057 10.608 -2.370 1.00 25.41 H new ATOM 0 HE3 LYS A 78 14.638 10.738 -1.625 1.00 25.41 H new ATOM 0 HZ1 LYS A 78 14.736 11.197 -3.976 1.00 33.31 H new ATOM 0 HZ2 LYS A 78 15.625 9.795 -3.620 1.00 33.31 H new ATOM 0 HZ3 LYS A 78 14.093 9.669 -4.342 1.00 33.31 H new ATOM 1334 N ASN A 79 10.771 10.910 2.759 1.00 75.44 N ATOM 1335 CA ASN A 79 11.142 11.848 3.831 1.00 5.22 C ATOM 1336 C ASN A 79 11.728 11.042 5.014 1.00 64.13 C ATOM 1337 O ASN A 79 12.841 11.311 5.466 1.00 0.30 O ATOM 1338 CB ASN A 79 9.880 12.650 4.282 1.00 22.22 C ATOM 1339 CG ASN A 79 10.151 13.802 5.273 1.00 63.44 C ATOM 1340 OD1 ASN A 79 11.147 13.835 5.985 1.00 4.31 O ATOM 1341 ND2 ASN A 79 9.243 14.758 5.338 1.00 32.44 N ATOM 0 H ASN A 79 9.767 10.740 2.699 1.00 75.44 H new ATOM 0 HA ASN A 79 11.890 12.556 3.474 1.00 5.22 H new ATOM 0 HB2 ASN A 79 9.395 13.061 3.396 1.00 22.22 H new ATOM 0 HB3 ASN A 79 9.174 11.957 4.740 1.00 22.22 H new ATOM 0 HD21 ASN A 79 9.367 15.536 5.986 1.00 32.44 H new ATOM 0 HD22 ASN A 79 8.418 14.719 4.740 1.00 32.44 H new ATOM 1348 N PHE A 80 10.947 10.027 5.457 1.00 33.43 N ATOM 1349 CA PHE A 80 11.209 9.190 6.649 1.00 22.03 C ATOM 1350 C PHE A 80 11.134 10.043 7.940 1.00 20.24 C ATOM 1351 O PHE A 80 10.095 10.091 8.608 1.00 62.43 O ATOM 1352 CB PHE A 80 12.542 8.393 6.530 1.00 61.22 C ATOM 1353 CG PHE A 80 12.576 7.397 5.362 1.00 74.30 C ATOM 1354 CD1 PHE A 80 12.092 6.100 5.507 1.00 5.40 C ATOM 1355 CD2 PHE A 80 13.086 7.765 4.114 1.00 11.45 C ATOM 1356 CE1 PHE A 80 12.115 5.210 4.451 1.00 3.33 C ATOM 1357 CE2 PHE A 80 13.106 6.869 3.060 1.00 75.22 C ATOM 1358 CZ PHE A 80 12.620 5.590 3.231 1.00 33.21 C ATOM 0 H PHE A 80 10.088 9.761 4.976 1.00 33.43 H new ATOM 0 HA PHE A 80 10.424 8.437 6.709 1.00 22.03 H new ATOM 0 HB2 PHE A 80 13.365 9.098 6.416 1.00 61.22 H new ATOM 0 HB3 PHE A 80 12.713 7.851 7.460 1.00 61.22 H new ATOM 0 HD1 PHE A 80 11.692 5.785 6.460 1.00 5.40 H new ATOM 0 HD2 PHE A 80 13.470 8.764 3.970 1.00 11.45 H new ATOM 0 HE1 PHE A 80 11.733 4.209 4.585 1.00 3.33 H new ATOM 0 HE2 PHE A 80 13.503 7.172 2.102 1.00 75.22 H new ATOM 0 HZ PHE A 80 12.636 4.890 2.409 1.00 33.21 H new ATOM 1368 N LYS A 81 12.227 10.773 8.188 1.00 10.01 N ATOM 1369 CA LYS A 81 12.460 11.654 9.357 1.00 43.43 C ATOM 1370 C LYS A 81 12.202 10.962 10.726 1.00 5.30 C ATOM 1371 O LYS A 81 13.145 10.592 11.436 1.00 75.20 O ATOM 1372 CB LYS A 81 11.650 12.975 9.208 1.00 42.14 C ATOM 1373 CG LYS A 81 12.078 14.087 10.185 1.00 12.43 C ATOM 1374 CD LYS A 81 11.344 15.424 9.927 1.00 32.30 C ATOM 1375 CE LYS A 81 11.815 16.549 10.869 1.00 44.10 C ATOM 1376 NZ LYS A 81 11.173 17.849 10.543 1.00 25.31 N ATOM 0 H LYS A 81 13.021 10.771 7.548 1.00 10.01 H new ATOM 0 HA LYS A 81 13.523 11.894 9.362 1.00 43.43 H new ATOM 0 HB2 LYS A 81 11.757 13.342 8.187 1.00 42.14 H new ATOM 0 HB3 LYS A 81 10.592 12.760 9.360 1.00 42.14 H new ATOM 0 HG2 LYS A 81 11.883 13.762 11.207 1.00 12.43 H new ATOM 0 HG3 LYS A 81 13.153 14.245 10.100 1.00 12.43 H new ATOM 0 HD2 LYS A 81 11.505 15.729 8.893 1.00 32.30 H new ATOM 0 HD3 LYS A 81 10.271 15.276 10.052 1.00 32.30 H new ATOM 0 HE2 LYS A 81 11.586 16.279 11.900 1.00 44.10 H new ATOM 0 HE3 LYS A 81 12.898 16.651 10.800 1.00 44.10 H new ATOM 0 HZ1 LYS A 81 11.516 18.580 11.199 1.00 25.31 H new ATOM 0 HZ2 LYS A 81 11.412 18.119 9.568 1.00 25.31 H new ATOM 0 HZ3 LYS A 81 10.141 17.759 10.634 1.00 25.31 H new ATOM 1390 N THR A 82 10.917 10.774 11.061 1.00 3.45 N ATOM 1391 CA THR A 82 10.467 10.152 12.343 1.00 43.31 C ATOM 1392 C THR A 82 10.171 8.638 12.173 1.00 12.30 C ATOM 1393 O THR A 82 10.220 7.870 13.142 1.00 13.04 O ATOM 1394 CB THR A 82 9.194 10.880 12.906 1.00 40.32 C ATOM 1395 OG1 THR A 82 8.816 10.323 14.180 1.00 41.21 O ATOM 1396 CG2 THR A 82 7.995 10.816 11.932 1.00 41.01 C ATOM 0 H THR A 82 10.144 11.047 10.454 1.00 3.45 H new ATOM 0 HA THR A 82 11.285 10.264 13.055 1.00 43.31 H new ATOM 0 HB THR A 82 9.462 11.929 13.029 1.00 40.32 H new ATOM 0 HG1 THR A 82 8.022 10.788 14.518 1.00 41.21 H new ATOM 0 HG21 THR A 82 7.142 11.334 12.370 1.00 41.01 H new ATOM 0 HG22 THR A 82 8.265 11.294 10.990 1.00 41.01 H new ATOM 0 HG23 THR A 82 7.731 9.775 11.748 1.00 41.01 H new ATOM 1404 N SER A 83 9.857 8.237 10.931 1.00 12.14 N ATOM 1405 CA SER A 83 9.503 6.845 10.565 1.00 13.14 C ATOM 1406 C SER A 83 10.595 6.218 9.655 1.00 22.32 C ATOM 1407 O SER A 83 10.597 6.457 8.443 1.00 53.25 O ATOM 1408 CB SER A 83 8.137 6.832 9.837 1.00 51.21 C ATOM 1409 OG SER A 83 7.088 7.313 10.666 1.00 70.54 O ATOM 0 H SER A 83 9.840 8.876 10.136 1.00 12.14 H new ATOM 0 HA SER A 83 9.436 6.251 11.477 1.00 13.14 H new ATOM 0 HB2 SER A 83 8.199 7.446 8.938 1.00 51.21 H new ATOM 0 HB3 SER A 83 7.908 5.816 9.514 1.00 51.21 H new ATOM 0 HG SER A 83 6.475 6.578 10.878 1.00 70.54 H new ATOM 1415 N PRO A 84 11.563 5.424 10.223 1.00 10.14 N ATOM 1416 CA PRO A 84 12.653 4.782 9.433 1.00 44.04 C ATOM 1417 C PRO A 84 12.183 3.529 8.643 1.00 45.01 C ATOM 1418 O PRO A 84 11.067 3.034 8.846 1.00 30.44 O ATOM 1419 CB PRO A 84 13.682 4.411 10.527 1.00 43.20 C ATOM 1420 CG PRO A 84 12.838 4.110 11.735 1.00 54.35 C ATOM 1421 CD PRO A 84 11.673 5.088 11.674 1.00 55.24 C ATOM 0 HA PRO A 84 13.045 5.438 8.656 1.00 44.04 H new ATOM 0 HB2 PRO A 84 14.282 3.549 10.235 1.00 43.20 H new ATOM 0 HB3 PRO A 84 14.374 5.231 10.718 1.00 43.20 H new ATOM 0 HG2 PRO A 84 12.485 3.079 11.720 1.00 54.35 H new ATOM 0 HG3 PRO A 84 13.410 4.238 12.654 1.00 54.35 H new ATOM 0 HD2 PRO A 84 10.754 4.639 12.051 1.00 55.24 H new ATOM 0 HD3 PRO A 84 11.865 5.976 12.276 1.00 55.24 H new ATOM 1429 N LEU A 85 13.047 3.020 7.746 1.00 52.33 N ATOM 1430 CA LEU A 85 12.727 1.852 6.901 1.00 22.41 C ATOM 1431 C LEU A 85 13.120 0.516 7.600 1.00 14.01 C ATOM 1432 O LEU A 85 14.298 0.319 7.915 1.00 24.05 O ATOM 1433 CB LEU A 85 13.455 1.964 5.537 1.00 2.22 C ATOM 1434 CG LEU A 85 12.988 0.954 4.445 1.00 64.21 C ATOM 1435 CD1 LEU A 85 11.503 1.191 4.081 1.00 52.11 C ATOM 1436 CD2 LEU A 85 13.895 1.011 3.198 1.00 4.32 C ATOM 0 H LEU A 85 13.979 3.402 7.586 1.00 52.33 H new ATOM 0 HA LEU A 85 11.649 1.845 6.739 1.00 22.41 H new ATOM 0 HB2 LEU A 85 13.320 2.975 5.154 1.00 2.22 H new ATOM 0 HB3 LEU A 85 14.524 1.826 5.702 1.00 2.22 H new ATOM 0 HG LEU A 85 13.075 -0.052 4.857 1.00 64.21 H new ATOM 0 HD11 LEU A 85 11.197 0.476 3.317 1.00 52.11 H new ATOM 0 HD12 LEU A 85 10.885 1.060 4.969 1.00 52.11 H new ATOM 0 HD13 LEU A 85 11.379 2.204 3.699 1.00 52.11 H new ATOM 0 HD21 LEU A 85 13.541 0.294 2.457 1.00 4.32 H new ATOM 0 HD22 LEU A 85 13.868 2.015 2.774 1.00 4.32 H new ATOM 0 HD23 LEU A 85 14.918 0.764 3.481 1.00 4.32 H new ATOM 1448 N PRO A 86 12.142 -0.418 7.852 1.00 40.12 N ATOM 1449 CA PRO A 86 12.432 -1.783 8.383 1.00 43.21 C ATOM 1450 C PRO A 86 13.111 -2.711 7.336 1.00 12.52 C ATOM 1451 O PRO A 86 13.112 -2.423 6.132 1.00 63.12 O ATOM 1452 CB PRO A 86 11.022 -2.326 8.796 1.00 62.33 C ATOM 1453 CG PRO A 86 10.123 -1.120 8.773 1.00 43.00 C ATOM 1454 CD PRO A 86 10.685 -0.227 7.691 1.00 74.13 C ATOM 0 HA PRO A 86 13.142 -1.751 9.209 1.00 43.21 H new ATOM 0 HB2 PRO A 86 10.674 -3.092 8.102 1.00 62.33 H new ATOM 0 HB3 PRO A 86 11.048 -2.781 9.786 1.00 62.33 H new ATOM 0 HG2 PRO A 86 9.093 -1.401 8.556 1.00 43.00 H new ATOM 0 HG3 PRO A 86 10.118 -0.614 9.738 1.00 43.00 H new ATOM 0 HD2 PRO A 86 10.343 -0.524 6.700 1.00 74.13 H new ATOM 0 HD3 PRO A 86 10.393 0.814 7.830 1.00 74.13 H new ATOM 1462 N ASP A 87 13.648 -3.845 7.822 1.00 4.31 N ATOM 1463 CA ASP A 87 14.438 -4.805 7.008 1.00 23.31 C ATOM 1464 C ASP A 87 13.576 -5.513 5.932 1.00 12.32 C ATOM 1465 O ASP A 87 14.017 -5.703 4.793 1.00 3.54 O ATOM 1466 CB ASP A 87 15.094 -5.859 7.934 1.00 24.04 C ATOM 1467 CG ASP A 87 15.901 -5.213 9.073 1.00 41.34 C ATOM 1468 OD1 ASP A 87 15.308 -4.932 10.137 1.00 44.54 O ATOM 1469 OD2 ASP A 87 17.110 -4.955 8.899 1.00 23.01 O ATOM 0 H ASP A 87 13.549 -4.129 8.797 1.00 4.31 H new ATOM 0 HA ASP A 87 15.207 -4.236 6.485 1.00 23.31 H new ATOM 0 HB2 ASP A 87 14.320 -6.499 8.358 1.00 24.04 H new ATOM 0 HB3 ASP A 87 15.750 -6.499 7.344 1.00 24.04 H new ATOM 1474 N LYS A 88 12.343 -5.897 6.321 1.00 21.01 N ATOM 1475 CA LYS A 88 11.373 -6.578 5.425 1.00 61.32 C ATOM 1476 C LYS A 88 10.858 -5.662 4.278 1.00 34.52 C ATOM 1477 O LYS A 88 10.252 -6.148 3.323 1.00 72.13 O ATOM 1478 CB LYS A 88 10.192 -7.152 6.265 1.00 53.42 C ATOM 1479 CG LYS A 88 9.212 -6.111 6.872 1.00 63.24 C ATOM 1480 CD LYS A 88 8.231 -6.759 7.886 1.00 50.11 C ATOM 1481 CE LYS A 88 7.066 -5.831 8.287 1.00 41.54 C ATOM 1482 NZ LYS A 88 6.073 -5.670 7.194 1.00 64.13 N ATOM 0 H LYS A 88 11.987 -5.746 7.265 1.00 21.01 H new ATOM 0 HA LYS A 88 11.899 -7.398 4.936 1.00 61.32 H new ATOM 0 HB2 LYS A 88 9.621 -7.832 5.633 1.00 53.42 H new ATOM 0 HB3 LYS A 88 10.608 -7.746 7.079 1.00 53.42 H new ATOM 0 HG2 LYS A 88 9.780 -5.325 7.369 1.00 63.24 H new ATOM 0 HG3 LYS A 88 8.645 -5.637 6.071 1.00 63.24 H new ATOM 0 HD2 LYS A 88 7.825 -7.674 7.454 1.00 50.11 H new ATOM 0 HD3 LYS A 88 8.782 -7.046 8.781 1.00 50.11 H new ATOM 0 HE2 LYS A 88 6.570 -6.235 9.169 1.00 41.54 H new ATOM 0 HE3 LYS A 88 7.461 -4.853 8.563 1.00 41.54 H new ATOM 0 HZ1 LYS A 88 5.157 -5.388 7.596 1.00 64.13 H new ATOM 0 HZ2 LYS A 88 6.401 -4.938 6.532 1.00 64.13 H new ATOM 0 HZ3 LYS A 88 5.965 -6.572 6.687 1.00 64.13 H new ATOM 1496 N TRP A 89 11.097 -4.337 4.388 1.00 2.13 N ATOM 1497 CA TRP A 89 10.762 -3.353 3.323 1.00 14.35 C ATOM 1498 C TRP A 89 12.014 -2.863 2.571 1.00 35.45 C ATOM 1499 O TRP A 89 11.899 -2.268 1.494 1.00 3.44 O ATOM 1500 CB TRP A 89 9.981 -2.165 3.926 1.00 23.32 C ATOM 1501 CG TRP A 89 8.662 -2.588 4.527 1.00 10.44 C ATOM 1502 CD1 TRP A 89 8.325 -2.627 5.846 1.00 31.12 C ATOM 1503 CD2 TRP A 89 7.523 -3.083 3.808 1.00 24.23 C ATOM 1504 NE1 TRP A 89 7.052 -3.093 5.991 1.00 14.45 N ATOM 1505 CE2 TRP A 89 6.538 -3.384 4.756 1.00 44.24 C ATOM 1506 CE3 TRP A 89 7.246 -3.292 2.452 1.00 42.51 C ATOM 1507 CZ2 TRP A 89 5.296 -3.893 4.395 1.00 61.24 C ATOM 1508 CZ3 TRP A 89 6.015 -3.790 2.095 1.00 51.51 C ATOM 1509 CH2 TRP A 89 5.049 -4.089 3.065 1.00 50.02 C ATOM 0 H TRP A 89 11.526 -3.916 5.212 1.00 2.13 H new ATOM 0 HA TRP A 89 10.132 -3.858 2.591 1.00 14.35 H new ATOM 0 HB2 TRP A 89 10.589 -1.686 4.693 1.00 23.32 H new ATOM 0 HB3 TRP A 89 9.801 -1.421 3.150 1.00 23.32 H new ATOM 0 HD1 TRP A 89 8.972 -2.332 6.659 1.00 31.12 H new ATOM 0 HE1 TRP A 89 6.561 -3.207 6.878 1.00 14.45 H new ATOM 0 HE3 TRP A 89 7.986 -3.066 1.699 1.00 42.51 H new ATOM 0 HZ2 TRP A 89 4.551 -4.126 5.141 1.00 61.24 H new ATOM 0 HZ3 TRP A 89 5.789 -3.953 1.052 1.00 51.51 H new ATOM 0 HH2 TRP A 89 4.092 -4.482 2.756 1.00 50.02 H new ATOM 1520 N ALA A 90 13.207 -3.097 3.148 1.00 22.30 N ATOM 1521 CA ALA A 90 14.482 -2.873 2.445 1.00 12.31 C ATOM 1522 C ALA A 90 14.593 -3.840 1.229 1.00 23.41 C ATOM 1523 O ALA A 90 14.556 -5.067 1.405 1.00 33.41 O ATOM 1524 CB ALA A 90 15.664 -3.050 3.415 1.00 41.01 C ATOM 0 H ALA A 90 13.314 -3.442 4.102 1.00 22.30 H new ATOM 0 HA ALA A 90 14.512 -1.850 2.069 1.00 12.31 H new ATOM 0 HB1 ALA A 90 16.600 -2.882 2.882 1.00 41.01 H new ATOM 0 HB2 ALA A 90 15.576 -2.332 4.230 1.00 41.01 H new ATOM 0 HB3 ALA A 90 15.654 -4.062 3.820 1.00 41.01 H new ATOM 1530 N ASN A 91 14.681 -3.246 0.015 1.00 1.11 N ATOM 1531 CA ASN A 91 14.710 -3.954 -1.304 1.00 41.21 C ATOM 1532 C ASN A 91 13.327 -4.574 -1.680 1.00 23.32 C ATOM 1533 O ASN A 91 13.256 -5.549 -2.439 1.00 5.23 O ATOM 1534 CB ASN A 91 15.842 -5.025 -1.385 1.00 25.32 C ATOM 1535 CG ASN A 91 17.237 -4.456 -1.103 1.00 22.42 C ATOM 1536 OD1 ASN A 91 17.903 -3.940 -1.992 1.00 23.10 O ATOM 1537 ND2 ASN A 91 17.697 -4.563 0.128 1.00 21.43 N ATOM 0 H ASN A 91 14.736 -2.232 -0.085 1.00 1.11 H new ATOM 0 HA ASN A 91 14.936 -3.186 -2.044 1.00 41.21 H new ATOM 0 HB2 ASN A 91 15.631 -5.821 -0.671 1.00 25.32 H new ATOM 0 HB3 ASN A 91 15.835 -5.476 -2.377 1.00 25.32 H new ATOM 0 HD21 ASN A 91 18.627 -4.212 0.357 1.00 21.43 H new ATOM 0 HD22 ASN A 91 17.123 -4.997 0.851 1.00 21.43 H new ATOM 1544 N SER A 92 12.227 -3.984 -1.163 1.00 62.31 N ATOM 1545 CA SER A 92 10.838 -4.389 -1.529 1.00 30.41 C ATOM 1546 C SER A 92 10.395 -3.768 -2.874 1.00 54.33 C ATOM 1547 O SER A 92 10.520 -2.554 -3.063 1.00 50.01 O ATOM 1548 CB SER A 92 9.840 -3.971 -0.421 1.00 61.44 C ATOM 1549 OG SER A 92 8.484 -4.185 -0.814 1.00 2.51 O ATOM 0 H SER A 92 12.268 -3.221 -0.487 1.00 62.31 H new ATOM 0 HA SER A 92 10.838 -5.474 -1.634 1.00 30.41 H new ATOM 0 HB2 SER A 92 10.048 -4.537 0.487 1.00 61.44 H new ATOM 0 HB3 SER A 92 9.986 -2.918 -0.180 1.00 61.44 H new ATOM 0 HG SER A 92 7.893 -4.032 -0.047 1.00 2.51 H new ATOM 1555 N LYS A 93 9.860 -4.610 -3.788 1.00 74.14 N ATOM 1556 CA LYS A 93 9.281 -4.147 -5.081 1.00 22.35 C ATOM 1557 C LYS A 93 8.049 -3.249 -4.837 1.00 71.13 C ATOM 1558 O LYS A 93 7.906 -2.196 -5.461 1.00 3.21 O ATOM 1559 CB LYS A 93 8.886 -5.359 -5.974 1.00 20.21 C ATOM 1560 CG LYS A 93 8.289 -4.981 -7.359 1.00 11.32 C ATOM 1561 CD LYS A 93 8.067 -6.206 -8.276 1.00 63.31 C ATOM 1562 CE LYS A 93 7.606 -5.813 -9.695 1.00 12.11 C ATOM 1563 NZ LYS A 93 6.241 -5.232 -9.716 1.00 51.24 N ATOM 0 H LYS A 93 9.815 -5.621 -3.657 1.00 74.14 H new ATOM 0 HA LYS A 93 10.042 -3.564 -5.600 1.00 22.35 H new ATOM 0 HB2 LYS A 93 9.768 -5.979 -6.131 1.00 20.21 H new ATOM 0 HB3 LYS A 93 8.160 -5.968 -5.435 1.00 20.21 H new ATOM 0 HG2 LYS A 93 7.339 -4.468 -7.211 1.00 11.32 H new ATOM 0 HG3 LYS A 93 8.957 -4.278 -7.857 1.00 11.32 H new ATOM 0 HD2 LYS A 93 8.994 -6.776 -8.344 1.00 63.31 H new ATOM 0 HD3 LYS A 93 7.322 -6.862 -7.825 1.00 63.31 H new ATOM 0 HE2 LYS A 93 8.309 -5.093 -10.114 1.00 12.11 H new ATOM 0 HE3 LYS A 93 7.631 -6.693 -10.337 1.00 12.11 H new ATOM 0 HZ1 LYS A 93 5.957 -5.049 -10.700 1.00 51.24 H new ATOM 0 HZ2 LYS A 93 5.573 -5.899 -9.281 1.00 51.24 H new ATOM 0 HZ3 LYS A 93 6.235 -4.339 -9.183 1.00 51.24 H new ATOM 1577 N LEU A 94 7.188 -3.686 -3.900 1.00 42.45 N ATOM 1578 CA LEU A 94 5.967 -2.956 -3.482 1.00 40.21 C ATOM 1579 C LEU A 94 6.298 -1.536 -2.959 1.00 51.34 C ATOM 1580 O LEU A 94 5.580 -0.566 -3.245 1.00 75.13 O ATOM 1581 CB LEU A 94 5.244 -3.761 -2.379 1.00 13.31 C ATOM 1582 CG LEU A 94 3.906 -3.151 -1.854 1.00 62.11 C ATOM 1583 CD1 LEU A 94 2.786 -3.210 -2.916 1.00 22.30 C ATOM 1584 CD2 LEU A 94 3.477 -3.818 -0.542 1.00 44.45 C ATOM 0 H LEU A 94 7.318 -4.567 -3.403 1.00 42.45 H new ATOM 0 HA LEU A 94 5.322 -2.847 -4.354 1.00 40.21 H new ATOM 0 HB2 LEU A 94 5.039 -4.761 -2.761 1.00 13.31 H new ATOM 0 HB3 LEU A 94 5.924 -3.876 -1.535 1.00 13.31 H new ATOM 0 HG LEU A 94 4.087 -2.096 -1.649 1.00 62.11 H new ATOM 0 HD11 LEU A 94 1.874 -2.775 -2.507 1.00 22.30 H new ATOM 0 HD12 LEU A 94 3.092 -2.649 -3.799 1.00 22.30 H new ATOM 0 HD13 LEU A 94 2.601 -4.248 -3.192 1.00 22.30 H new ATOM 0 HD21 LEU A 94 2.542 -3.375 -0.197 1.00 44.45 H new ATOM 0 HD22 LEU A 94 3.334 -4.886 -0.707 1.00 44.45 H new ATOM 0 HD23 LEU A 94 4.249 -3.668 0.212 1.00 44.45 H new ATOM 1596 N LEU A 95 7.400 -1.438 -2.186 1.00 22.24 N ATOM 1597 CA LEU A 95 7.907 -0.151 -1.668 1.00 10.54 C ATOM 1598 C LEU A 95 8.311 0.797 -2.821 1.00 55.13 C ATOM 1599 O LEU A 95 7.923 1.959 -2.835 1.00 31.23 O ATOM 1600 CB LEU A 95 9.126 -0.371 -0.742 1.00 12.10 C ATOM 1601 CG LEU A 95 9.704 0.928 -0.097 1.00 63.54 C ATOM 1602 CD1 LEU A 95 8.709 1.532 0.910 1.00 62.25 C ATOM 1603 CD2 LEU A 95 11.086 0.691 0.538 1.00 43.42 C ATOM 0 H LEU A 95 7.960 -2.243 -1.905 1.00 22.24 H new ATOM 0 HA LEU A 95 7.099 0.307 -1.098 1.00 10.54 H new ATOM 0 HB2 LEU A 95 8.840 -1.058 0.054 1.00 12.10 H new ATOM 0 HB3 LEU A 95 9.916 -0.857 -1.314 1.00 12.10 H new ATOM 0 HG LEU A 95 9.849 1.654 -0.897 1.00 63.54 H new ATOM 0 HD11 LEU A 95 9.135 2.436 1.345 1.00 62.25 H new ATOM 0 HD12 LEU A 95 7.779 1.779 0.399 1.00 62.25 H new ATOM 0 HD13 LEU A 95 8.507 0.809 1.700 1.00 62.25 H new ATOM 0 HD21 LEU A 95 11.450 1.621 0.975 1.00 43.42 H new ATOM 0 HD22 LEU A 95 11.003 -0.067 1.316 1.00 43.42 H new ATOM 0 HD23 LEU A 95 11.784 0.351 -0.227 1.00 43.42 H new ATOM 1615 N LYS A 96 9.089 0.262 -3.782 1.00 13.03 N ATOM 1616 CA LYS A 96 9.577 1.021 -4.966 1.00 12.51 C ATOM 1617 C LYS A 96 8.402 1.587 -5.801 1.00 24.45 C ATOM 1618 O LYS A 96 8.436 2.738 -6.246 1.00 42.23 O ATOM 1619 CB LYS A 96 10.468 0.105 -5.836 1.00 62.51 C ATOM 1620 CG LYS A 96 11.758 -0.362 -5.129 1.00 61.12 C ATOM 1621 CD LYS A 96 12.582 -1.357 -5.974 1.00 30.44 C ATOM 1622 CE LYS A 96 12.989 -0.786 -7.347 1.00 23.43 C ATOM 1623 NZ LYS A 96 13.754 0.484 -7.222 1.00 54.55 N ATOM 0 H LYS A 96 9.401 -0.709 -3.766 1.00 13.03 H new ATOM 0 HA LYS A 96 10.164 1.869 -4.613 1.00 12.51 H new ATOM 0 HB2 LYS A 96 9.891 -0.770 -6.135 1.00 62.51 H new ATOM 0 HB3 LYS A 96 10.737 0.636 -6.749 1.00 62.51 H new ATOM 0 HG2 LYS A 96 12.374 0.507 -4.898 1.00 61.12 H new ATOM 0 HG3 LYS A 96 11.497 -0.829 -4.180 1.00 61.12 H new ATOM 0 HD2 LYS A 96 13.479 -1.638 -5.423 1.00 30.44 H new ATOM 0 HD3 LYS A 96 12.001 -2.267 -6.123 1.00 30.44 H new ATOM 0 HE2 LYS A 96 13.592 -1.521 -7.880 1.00 23.43 H new ATOM 0 HE3 LYS A 96 12.095 -0.612 -7.946 1.00 23.43 H new ATOM 0 HZ1 LYS A 96 14.065 0.796 -8.164 1.00 54.55 H new ATOM 0 HZ2 LYS A 96 13.147 1.215 -6.798 1.00 54.55 H new ATOM 0 HZ3 LYS A 96 14.585 0.330 -6.616 1.00 54.55 H new ATOM 1637 N GLN A 97 7.363 0.748 -5.962 1.00 53.20 N ATOM 1638 CA GLN A 97 6.081 1.115 -6.599 1.00 72.01 C ATOM 1639 C GLN A 97 5.385 2.281 -5.850 1.00 0.23 C ATOM 1640 O GLN A 97 4.860 3.201 -6.473 1.00 62.13 O ATOM 1641 CB GLN A 97 5.146 -0.128 -6.612 1.00 0.31 C ATOM 1642 CG GLN A 97 5.593 -1.287 -7.533 1.00 72.25 C ATOM 1643 CD GLN A 97 4.716 -2.544 -7.393 1.00 50.04 C ATOM 1644 OE1 GLN A 97 4.522 -3.276 -8.475 1.00 42.51 O flip ATOM 1645 NE2 GLN A 97 4.201 -2.845 -6.322 1.00 53.43 N flip ATOM 0 H GLN A 97 7.389 -0.222 -5.648 1.00 53.20 H new ATOM 0 HA GLN A 97 6.286 1.447 -7.617 1.00 72.01 H new ATOM 0 HB2 GLN A 97 5.061 -0.508 -5.594 1.00 0.31 H new ATOM 0 HB3 GLN A 97 4.150 0.192 -6.917 1.00 0.31 H new ATOM 0 HG2 GLN A 97 5.570 -0.949 -8.569 1.00 72.25 H new ATOM 0 HG3 GLN A 97 6.627 -1.546 -7.305 1.00 72.25 H new ATOM 0 HE21 GLN A 97 4.363 -2.267 -5.498 1.00 53.43 H new ATOM 0 HE22 GLN A 97 3.610 -3.674 -6.255 1.00 53.43 H new ATOM 1654 N LEU A 98 5.389 2.207 -4.506 1.00 35.40 N ATOM 1655 CA LEU A 98 4.733 3.201 -3.615 1.00 5.43 C ATOM 1656 C LEU A 98 5.471 4.571 -3.621 1.00 73.34 C ATOM 1657 O LEU A 98 4.836 5.631 -3.553 1.00 35.42 O ATOM 1658 CB LEU A 98 4.657 2.620 -2.172 1.00 71.31 C ATOM 1659 CG LEU A 98 3.839 3.451 -1.131 1.00 21.52 C ATOM 1660 CD1 LEU A 98 2.355 3.568 -1.540 1.00 51.04 C ATOM 1661 CD2 LEU A 98 3.999 2.879 0.298 1.00 12.41 C ATOM 0 H LEU A 98 5.849 1.452 -3.997 1.00 35.40 H new ATOM 0 HA LEU A 98 3.727 3.388 -3.991 1.00 5.43 H new ATOM 0 HB2 LEU A 98 4.224 1.621 -2.228 1.00 71.31 H new ATOM 0 HB3 LEU A 98 5.674 2.506 -1.795 1.00 71.31 H new ATOM 0 HG LEU A 98 4.248 4.461 -1.122 1.00 21.52 H new ATOM 0 HD11 LEU A 98 1.817 4.152 -0.793 1.00 51.04 H new ATOM 0 HD12 LEU A 98 2.282 4.062 -2.509 1.00 51.04 H new ATOM 0 HD13 LEU A 98 1.916 2.572 -1.607 1.00 51.04 H new ATOM 0 HD21 LEU A 98 3.418 3.480 0.998 1.00 12.41 H new ATOM 0 HD22 LEU A 98 3.642 1.849 0.320 1.00 12.41 H new ATOM 0 HD23 LEU A 98 5.050 2.904 0.584 1.00 12.41 H new ATOM 1673 N GLN A 99 6.811 4.519 -3.700 1.00 24.45 N ATOM 1674 CA GLN A 99 7.679 5.722 -3.717 1.00 12.43 C ATOM 1675 C GLN A 99 7.504 6.549 -5.009 1.00 3.34 C ATOM 1676 O GLN A 99 7.282 7.764 -4.951 1.00 45.43 O ATOM 1677 CB GLN A 99 9.164 5.308 -3.524 1.00 1.24 C ATOM 1678 CG GLN A 99 9.456 4.682 -2.142 1.00 53.05 C ATOM 1679 CD GLN A 99 10.909 4.248 -1.947 1.00 62.15 C ATOM 1680 OE1 GLN A 99 11.595 3.851 -2.889 1.00 13.11 O ATOM 1681 NE2 GLN A 99 11.396 4.324 -0.720 1.00 42.23 N ATOM 0 H GLN A 99 7.330 3.643 -3.754 1.00 24.45 H new ATOM 0 HA GLN A 99 7.375 6.362 -2.889 1.00 12.43 H new ATOM 0 HB2 GLN A 99 9.438 4.595 -4.302 1.00 1.24 H new ATOM 0 HB3 GLN A 99 9.797 6.185 -3.658 1.00 1.24 H new ATOM 0 HG2 GLN A 99 9.196 5.403 -1.367 1.00 53.05 H new ATOM 0 HG3 GLN A 99 8.808 3.817 -2.003 1.00 53.05 H new ATOM 0 HE21 GLN A 99 10.806 4.656 0.043 1.00 42.23 H new ATOM 0 HE22 GLN A 99 12.361 4.050 -0.537 1.00 42.23 H new ATOM 1690 N GLU A 100 7.573 5.866 -6.167 1.00 15.11 N ATOM 1691 CA GLU A 100 7.382 6.505 -7.490 1.00 63.31 C ATOM 1692 C GLU A 100 5.901 6.923 -7.691 1.00 65.34 C ATOM 1693 O GLU A 100 5.613 7.868 -8.436 1.00 64.22 O ATOM 1694 CB GLU A 100 7.843 5.557 -8.629 1.00 45.00 C ATOM 1695 CG GLU A 100 6.977 4.292 -8.803 1.00 31.11 C ATOM 1696 CD GLU A 100 7.491 3.359 -9.905 1.00 64.15 C ATOM 1697 OE1 GLU A 100 8.352 2.501 -9.619 1.00 31.24 O ATOM 1698 OE2 GLU A 100 7.049 3.499 -11.068 1.00 13.32 O ATOM 0 H GLU A 100 7.761 4.865 -6.216 1.00 15.11 H new ATOM 0 HA GLU A 100 7.997 7.404 -7.524 1.00 63.31 H new ATOM 0 HB2 GLU A 100 7.845 6.112 -9.567 1.00 45.00 H new ATOM 0 HB3 GLU A 100 8.872 5.253 -8.437 1.00 45.00 H new ATOM 0 HG2 GLU A 100 6.946 3.747 -7.859 1.00 31.11 H new ATOM 0 HG3 GLU A 100 5.954 4.588 -9.034 1.00 31.11 H new ATOM 1705 N PHE A 101 4.969 6.197 -7.022 1.00 24.12 N ATOM 1706 CA PHE A 101 3.541 6.553 -7.007 1.00 22.20 C ATOM 1707 C PHE A 101 3.320 7.902 -6.291 1.00 74.30 C ATOM 1708 O PHE A 101 2.684 8.784 -6.844 1.00 4.31 O ATOM 1709 CB PHE A 101 2.690 5.432 -6.341 1.00 33.53 C ATOM 1710 CG PHE A 101 1.222 5.805 -6.155 1.00 32.23 C ATOM 1711 CD1 PHE A 101 0.342 5.817 -7.237 1.00 63.32 C ATOM 1712 CD2 PHE A 101 0.739 6.202 -4.908 1.00 50.21 C ATOM 1713 CE1 PHE A 101 -0.969 6.205 -7.073 1.00 31.51 C ATOM 1714 CE2 PHE A 101 -0.568 6.600 -4.754 1.00 4.24 C ATOM 1715 CZ PHE A 101 -1.423 6.602 -5.835 1.00 0.41 C ATOM 0 H PHE A 101 5.191 5.358 -6.485 1.00 24.12 H new ATOM 0 HA PHE A 101 3.212 6.656 -8.041 1.00 22.20 H new ATOM 0 HB2 PHE A 101 2.752 4.530 -6.950 1.00 33.53 H new ATOM 0 HB3 PHE A 101 3.120 5.190 -5.369 1.00 33.53 H new ATOM 0 HD1 PHE A 101 0.693 5.519 -8.214 1.00 63.32 H new ATOM 0 HD2 PHE A 101 1.399 6.197 -4.054 1.00 50.21 H new ATOM 0 HE1 PHE A 101 -1.643 6.198 -7.917 1.00 31.51 H new ATOM 0 HE2 PHE A 101 -0.925 6.912 -3.784 1.00 4.24 H new ATOM 0 HZ PHE A 101 -2.449 6.915 -5.711 1.00 0.41 H new ATOM 1725 N SER A 102 3.877 8.049 -5.070 1.00 71.10 N ATOM 1726 CA SER A 102 3.702 9.271 -4.225 1.00 31.35 C ATOM 1727 C SER A 102 4.116 10.571 -4.967 1.00 70.21 C ATOM 1728 O SER A 102 3.591 11.661 -4.689 1.00 54.24 O ATOM 1729 CB SER A 102 4.516 9.135 -2.924 1.00 62.24 C ATOM 1730 OG SER A 102 4.340 10.255 -2.068 1.00 43.31 O ATOM 0 H SER A 102 4.460 7.333 -4.635 1.00 71.10 H new ATOM 0 HA SER A 102 2.640 9.350 -3.994 1.00 31.35 H new ATOM 0 HB2 SER A 102 4.215 8.228 -2.401 1.00 62.24 H new ATOM 0 HB3 SER A 102 5.573 9.027 -3.167 1.00 62.24 H new ATOM 0 HG SER A 102 4.871 10.131 -1.253 1.00 43.31 H new ATOM 1736 N GLU A 103 5.061 10.430 -5.908 1.00 41.01 N ATOM 1737 CA GLU A 103 5.514 11.527 -6.785 1.00 24.42 C ATOM 1738 C GLU A 103 4.417 11.945 -7.804 1.00 62.30 C ATOM 1739 O GLU A 103 4.165 13.138 -8.022 1.00 24.04 O ATOM 1740 CB GLU A 103 6.787 11.076 -7.549 1.00 62.11 C ATOM 1741 CG GLU A 103 7.941 10.567 -6.657 1.00 14.11 C ATOM 1742 CD GLU A 103 8.482 11.625 -5.678 1.00 70.33 C ATOM 1743 OE1 GLU A 103 9.306 12.469 -6.099 1.00 42.24 O ATOM 1744 OE2 GLU A 103 8.090 11.621 -4.488 1.00 43.24 O ATOM 0 H GLU A 103 5.538 9.546 -6.086 1.00 41.01 H new ATOM 0 HA GLU A 103 5.731 12.392 -6.159 1.00 24.42 H new ATOM 0 HB2 GLU A 103 6.512 10.285 -8.247 1.00 62.11 H new ATOM 0 HB3 GLU A 103 7.151 11.914 -8.144 1.00 62.11 H new ATOM 0 HG2 GLU A 103 7.595 9.703 -6.089 1.00 14.11 H new ATOM 0 HG3 GLU A 103 8.756 10.224 -7.294 1.00 14.11 H new ATOM 1751 N ASN A 104 3.775 10.934 -8.422 1.00 44.32 N ATOM 1752 CA ASN A 104 2.841 11.115 -9.568 1.00 41.52 C ATOM 1753 C ASN A 104 1.385 10.670 -9.237 1.00 62.12 C ATOM 1754 O ASN A 104 0.590 10.409 -10.151 1.00 61.44 O ATOM 1755 CB ASN A 104 3.382 10.303 -10.781 1.00 44.33 C ATOM 1756 CG ASN A 104 4.837 10.649 -11.133 1.00 24.40 C ATOM 1757 OD1 ASN A 104 5.110 11.576 -11.882 1.00 51.01 O ATOM 1758 ND2 ASN A 104 5.779 9.891 -10.605 1.00 23.35 N ATOM 0 H ASN A 104 3.886 9.959 -8.143 1.00 44.32 H new ATOM 0 HA ASN A 104 2.795 12.179 -9.800 1.00 41.52 H new ATOM 0 HB2 ASN A 104 3.311 9.238 -10.559 1.00 44.33 H new ATOM 0 HB3 ASN A 104 2.749 10.491 -11.648 1.00 44.33 H new ATOM 0 HD21 ASN A 104 6.760 10.073 -10.819 1.00 23.35 H new ATOM 0 HD22 ASN A 104 5.527 9.123 -9.983 1.00 23.35 H new