USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 635 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 191 GLN : amide:sc= -0.195! K(o=1!,f=-1) USER MOD Set 1.2: A 193 TYR OH : rot -21:sc= 1.23 USER MOD Set 2.1: A 113 CYS SG : rot -21:sc= -0.972 USER MOD Set 2.2: A 185 MET CE :methyl -120:sc= -0.586 (180deg=-1.49) USER MOD Set 2.3: A 194 TYR OH : rot 93:sc= 0.334 USER MOD Single : A 89 SER OG : rot 35:sc= 0.76 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 179:sc= -1.22 (180deg=-1.24) USER MOD Single : A 103 LYS NZ :NH3+ 160:sc= -0.099 (180deg=-0.417) USER MOD Single : A 104 MET CE :methyl -122:sc= -2.06 (180deg=-3.73!) USER MOD Single : A 167 SER OG : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 165:sc= -0.019 (180deg=-0.221) USER MOD Single : A 171 TYR OH : rot 180:sc= 0 USER MOD Single : A 176 CYS SG : rot 132:sc= -0.662! USER MOD Single : A 177 SER OG : rot -117:sc= 1.27 USER MOD Single : A 178 CYS SG : rot 45:sc= 1.36 USER MOD Single : A 181 GLN :FLIP amide:sc= -1.31 F(o=-2!,f=-1.3) USER MOD Single : A 182 ASN : amide:sc= -9.96! C(o=-10!,f=-13!) USER MOD Single : A 184 THR OG1 : rot -2:sc= 0.405 USER MOD Single : A 186 CYS SG : rot 180:sc= -0.0112 USER MOD Single : A 187 GLN :FLIP amide:sc= -0.355 F(o=-0.88,f=-0.35) USER MOD Single : A 189 SER OG : rot -51:sc= 0.0705 USER MOD Single : A 195 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 198 LYS NZ :NH3+ -137:sc= 0.162 (180deg=0) USER MOD Single : A 209 HIS : no HD1:sc= -0.56 X(o=-0.56,f=-0.22) USER MOD ----------------------------------------------------------------- ATOM 388 N ILE A 78 -7.873 4.703 4.710 1.00 1.90 N ATOM 389 CA ILE A 78 -6.629 3.957 4.777 1.00 1.74 C ATOM 390 C ILE A 78 -5.766 4.498 5.912 1.00 1.48 C ATOM 391 O ILE A 78 -5.297 5.636 5.852 1.00 1.42 O ATOM 392 CB ILE A 78 -5.843 4.044 3.451 1.00 1.86 C ATOM 393 CG1 ILE A 78 -6.699 3.531 2.289 1.00 2.18 C ATOM 394 CG2 ILE A 78 -4.546 3.250 3.549 1.00 1.84 C ATOM 395 CD1 ILE A 78 -6.041 3.688 0.934 1.00 2.45 C ATOM 0 HA ILE A 78 -6.876 2.911 4.959 1.00 1.74 H new ATOM 0 HB ILE A 78 -5.595 5.088 3.263 1.00 1.86 H new ATOM 0 HG12 ILE A 78 -6.926 2.478 2.453 1.00 2.18 H new ATOM 0 HG13 ILE A 78 -7.649 4.065 2.286 1.00 2.18 H new ATOM 0 HG21 ILE A 78 -4.004 3.321 2.606 1.00 1.84 H new ATOM 0 HG22 ILE A 78 -3.931 3.655 4.353 1.00 1.84 H new ATOM 0 HG23 ILE A 78 -4.774 2.205 3.758 1.00 1.84 H new ATOM 0 HD11 ILE A 78 -6.705 3.303 0.160 1.00 2.45 H new ATOM 0 HD12 ILE A 78 -5.839 4.743 0.748 1.00 2.45 H new ATOM 0 HD13 ILE A 78 -5.104 3.131 0.918 1.00 2.45 H new ATOM 407 N PRO A 79 -5.577 3.707 6.976 1.00 1.44 N ATOM 408 CA PRO A 79 -4.781 4.118 8.132 1.00 1.27 C ATOM 409 C PRO A 79 -3.302 4.248 7.796 1.00 1.11 C ATOM 410 O PRO A 79 -2.725 3.391 7.124 1.00 1.23 O ATOM 411 CB PRO A 79 -5.006 3.000 9.150 1.00 1.50 C ATOM 412 CG PRO A 79 -5.419 1.817 8.344 1.00 1.75 C ATOM 413 CD PRO A 79 -6.129 2.351 7.135 1.00 1.70 C ATOM 0 HA PRO A 79 -5.078 5.101 8.498 1.00 1.27 H new ATOM 0 HB2 PRO A 79 -4.097 2.794 9.716 1.00 1.50 H new ATOM 0 HB3 PRO A 79 -5.776 3.273 9.872 1.00 1.50 H new ATOM 0 HG2 PRO A 79 -4.552 1.224 8.054 1.00 1.75 H new ATOM 0 HG3 PRO A 79 -6.074 1.164 8.921 1.00 1.75 H new ATOM 0 HD2 PRO A 79 -5.940 1.736 6.255 1.00 1.70 H new ATOM 0 HD3 PRO A 79 -7.209 2.373 7.282 1.00 1.70 H new ATOM 421 N ILE A 80 -2.700 5.329 8.258 1.00 0.93 N ATOM 422 CA ILE A 80 -1.301 5.605 7.997 1.00 0.82 C ATOM 423 C ILE A 80 -0.582 5.928 9.305 1.00 0.72 C ATOM 424 O ILE A 80 -1.120 6.641 10.154 1.00 0.74 O ATOM 425 CB ILE A 80 -1.101 6.775 6.989 1.00 0.86 C ATOM 426 CG1 ILE A 80 -1.689 8.097 7.515 1.00 0.89 C ATOM 427 CG2 ILE A 80 -1.723 6.431 5.644 1.00 1.01 C ATOM 428 CD1 ILE A 80 -3.200 8.190 7.440 1.00 0.99 C ATOM 0 H ILE A 80 -3.167 6.038 8.823 1.00 0.93 H new ATOM 0 HA ILE A 80 -0.876 4.708 7.545 1.00 0.82 H new ATOM 0 HB ILE A 80 -0.027 6.914 6.866 1.00 0.86 H new ATOM 0 HG12 ILE A 80 -1.381 8.229 8.552 1.00 0.89 H new ATOM 0 HG13 ILE A 80 -1.259 8.922 6.947 1.00 0.89 H new ATOM 0 HG21 ILE A 80 -1.574 7.260 4.952 1.00 1.01 H new ATOM 0 HG22 ILE A 80 -1.251 5.534 5.243 1.00 1.01 H new ATOM 0 HG23 ILE A 80 -2.791 6.253 5.772 1.00 1.01 H new ATOM 0 HD11 ILE A 80 -3.525 9.154 7.831 1.00 0.99 H new ATOM 0 HD12 ILE A 80 -3.519 8.093 6.402 1.00 0.99 H new ATOM 0 HD13 ILE A 80 -3.644 7.390 8.032 1.00 0.99 H new ATOM 440 N PRO A 81 0.633 5.374 9.491 1.00 0.68 N ATOM 441 CA PRO A 81 1.455 5.610 10.688 1.00 0.67 C ATOM 442 C PRO A 81 1.590 7.093 11.023 1.00 0.64 C ATOM 443 O PRO A 81 1.574 7.945 10.134 1.00 0.61 O ATOM 444 CB PRO A 81 2.809 5.020 10.307 1.00 0.69 C ATOM 445 CG PRO A 81 2.482 3.948 9.330 1.00 0.71 C ATOM 446 CD PRO A 81 1.294 4.448 8.554 1.00 0.73 C ATOM 0 HA PRO A 81 1.014 5.162 11.579 1.00 0.67 H new ATOM 0 HB2 PRO A 81 3.461 5.774 9.866 1.00 0.69 H new ATOM 0 HB3 PRO A 81 3.327 4.619 11.178 1.00 0.69 H new ATOM 0 HG2 PRO A 81 3.326 3.751 8.669 1.00 0.71 H new ATOM 0 HG3 PRO A 81 2.251 3.012 9.839 1.00 0.71 H new ATOM 0 HD2 PRO A 81 1.598 4.954 7.638 1.00 0.73 H new ATOM 0 HD3 PRO A 81 0.633 3.632 8.263 1.00 0.73 H new ATOM 454 N ALA A 82 1.773 7.374 12.307 1.00 0.75 N ATOM 455 CA ALA A 82 1.698 8.732 12.842 1.00 0.80 C ATOM 456 C ALA A 82 2.751 9.681 12.261 1.00 0.71 C ATOM 457 O ALA A 82 2.717 10.880 12.530 1.00 0.78 O ATOM 458 CB ALA A 82 1.814 8.695 14.357 1.00 1.04 C ATOM 0 H ALA A 82 1.979 6.665 13.011 1.00 0.75 H new ATOM 0 HA ALA A 82 0.728 9.130 12.543 1.00 0.80 H new ATOM 0 HB1 ALA A 82 1.758 9.710 14.751 1.00 1.04 H new ATOM 0 HB2 ALA A 82 1.000 8.100 14.770 1.00 1.04 H new ATOM 0 HB3 ALA A 82 2.768 8.249 14.638 1.00 1.04 H new ATOM 464 N ASP A 83 3.676 9.169 11.464 1.00 0.67 N ATOM 465 CA ASP A 83 4.719 10.016 10.890 1.00 0.70 C ATOM 466 C ASP A 83 4.546 10.195 9.395 1.00 0.55 C ATOM 467 O ASP A 83 5.345 10.872 8.754 1.00 0.60 O ATOM 468 CB ASP A 83 6.103 9.446 11.184 1.00 0.88 C ATOM 469 CG ASP A 83 6.403 9.410 12.662 1.00 1.05 C ATOM 470 OD1 ASP A 83 6.471 10.488 13.288 1.00 1.39 O ATOM 471 OD2 ASP A 83 6.580 8.306 13.209 1.00 1.66 O ATOM 0 H ASP A 83 3.730 8.185 11.200 1.00 0.67 H new ATOM 0 HA ASP A 83 4.626 10.995 11.360 1.00 0.70 H new ATOM 0 HB2 ASP A 83 6.173 8.438 10.776 1.00 0.88 H new ATOM 0 HB3 ASP A 83 6.857 10.048 10.677 1.00 0.88 H new ATOM 476 N PHE A 84 3.495 9.620 8.843 1.00 0.45 N ATOM 477 CA PHE A 84 3.210 9.772 7.426 1.00 0.41 C ATOM 478 C PHE A 84 1.763 10.164 7.251 1.00 0.40 C ATOM 479 O PHE A 84 0.897 9.670 7.964 1.00 0.56 O ATOM 480 CB PHE A 84 3.509 8.483 6.652 1.00 0.42 C ATOM 481 CG PHE A 84 4.937 8.047 6.767 1.00 0.56 C ATOM 482 CD1 PHE A 84 5.339 7.211 7.796 1.00 0.66 C ATOM 483 CD2 PHE A 84 5.880 8.484 5.854 1.00 0.79 C ATOM 484 CE1 PHE A 84 6.655 6.822 7.913 1.00 0.87 C ATOM 485 CE2 PHE A 84 7.199 8.095 5.966 1.00 0.98 C ATOM 486 CZ PHE A 84 7.586 7.265 6.995 1.00 1.00 C ATOM 0 H PHE A 84 2.824 9.044 9.352 1.00 0.45 H new ATOM 0 HA PHE A 84 3.856 10.552 7.023 1.00 0.41 H new ATOM 0 HB2 PHE A 84 2.862 7.687 7.020 1.00 0.42 H new ATOM 0 HB3 PHE A 84 3.265 8.633 5.600 1.00 0.42 H new ATOM 0 HD1 PHE A 84 4.613 6.861 8.514 1.00 0.66 H new ATOM 0 HD2 PHE A 84 5.581 9.136 5.046 1.00 0.79 H new ATOM 0 HE1 PHE A 84 6.958 6.172 8.721 1.00 0.87 H new ATOM 0 HE2 PHE A 84 7.927 8.441 5.248 1.00 0.98 H new ATOM 0 HZ PHE A 84 8.618 6.961 7.084 1.00 1.00 H new ATOM 496 N GLU A 85 1.500 11.087 6.353 1.00 0.39 N ATOM 497 CA GLU A 85 0.137 11.489 6.084 1.00 0.44 C ATOM 498 C GLU A 85 -0.162 11.356 4.603 1.00 0.39 C ATOM 499 O GLU A 85 0.656 11.725 3.758 1.00 0.40 O ATOM 500 CB GLU A 85 -0.116 12.924 6.561 1.00 0.61 C ATOM 501 CG GLU A 85 -1.555 13.390 6.375 1.00 1.15 C ATOM 502 CD GLU A 85 -2.560 12.493 7.079 1.00 1.60 C ATOM 503 OE1 GLU A 85 -3.005 12.850 8.188 1.00 1.88 O ATOM 504 OE2 GLU A 85 -2.902 11.422 6.528 1.00 2.27 O ATOM 0 H GLU A 85 2.207 11.571 5.799 1.00 0.39 H new ATOM 0 HA GLU A 85 -0.533 10.831 6.637 1.00 0.44 H new ATOM 0 HB2 GLU A 85 0.146 12.998 7.616 1.00 0.61 H new ATOM 0 HB3 GLU A 85 0.547 13.599 6.020 1.00 0.61 H new ATOM 0 HG2 GLU A 85 -1.655 14.407 6.754 1.00 1.15 H new ATOM 0 HG3 GLU A 85 -1.787 13.422 5.310 1.00 1.15 H new ATOM 511 N LEU A 86 -1.330 10.822 4.293 1.00 0.41 N ATOM 512 CA LEU A 86 -1.729 10.632 2.914 1.00 0.43 C ATOM 513 C LEU A 86 -2.356 11.905 2.396 1.00 0.44 C ATOM 514 O LEU A 86 -3.291 12.447 2.986 1.00 0.48 O ATOM 515 CB LEU A 86 -2.695 9.455 2.783 1.00 0.52 C ATOM 516 CG LEU A 86 -2.901 8.918 1.359 1.00 0.59 C ATOM 517 CD1 LEU A 86 -3.437 7.504 1.409 1.00 0.79 C ATOM 518 CD2 LEU A 86 -3.855 9.800 0.564 1.00 0.70 C ATOM 0 H LEU A 86 -2.018 10.513 4.980 1.00 0.41 H new ATOM 0 HA LEU A 86 -0.848 10.399 2.316 1.00 0.43 H new ATOM 0 HB2 LEU A 86 -2.333 8.640 3.410 1.00 0.52 H new ATOM 0 HB3 LEU A 86 -3.664 9.758 3.181 1.00 0.52 H new ATOM 0 HG LEU A 86 -1.933 8.925 0.858 1.00 0.59 H new ATOM 0 HD11 LEU A 86 -3.579 7.133 0.394 1.00 0.79 H new ATOM 0 HD12 LEU A 86 -2.727 6.864 1.933 1.00 0.79 H new ATOM 0 HD13 LEU A 86 -4.391 7.495 1.936 1.00 0.79 H new ATOM 0 HD21 LEU A 86 -3.978 9.391 -0.439 1.00 0.70 H new ATOM 0 HD22 LEU A 86 -4.823 9.832 1.064 1.00 0.70 H new ATOM 0 HD23 LEU A 86 -3.447 10.809 0.497 1.00 0.70 H new ATOM 530 N ARG A 87 -1.829 12.368 1.288 1.00 0.47 N ATOM 531 CA ARG A 87 -2.250 13.618 0.701 1.00 0.55 C ATOM 532 C ARG A 87 -2.236 13.498 -0.807 1.00 0.61 C ATOM 533 O ARG A 87 -1.188 13.232 -1.403 1.00 0.66 O ATOM 534 CB ARG A 87 -1.315 14.745 1.135 1.00 0.62 C ATOM 535 CG ARG A 87 -1.478 15.182 2.581 1.00 0.69 C ATOM 536 CD ARG A 87 -0.432 16.219 2.955 1.00 1.04 C ATOM 537 NE ARG A 87 -0.428 17.343 2.019 1.00 1.63 N ATOM 538 CZ ARG A 87 0.673 17.921 1.539 1.00 2.32 C ATOM 539 NH1 ARG A 87 1.873 17.539 1.958 1.00 2.62 N ATOM 540 NH2 ARG A 87 0.570 18.894 0.649 1.00 3.21 N ATOM 0 H ARG A 87 -1.095 11.888 0.767 1.00 0.47 H new ATOM 0 HA ARG A 87 -3.260 13.847 1.040 1.00 0.55 H new ATOM 0 HB2 ARG A 87 -0.285 14.424 0.980 1.00 0.62 H new ATOM 0 HB3 ARG A 87 -1.481 15.606 0.488 1.00 0.62 H new ATOM 0 HG2 ARG A 87 -2.475 15.596 2.730 1.00 0.69 H new ATOM 0 HG3 ARG A 87 -1.390 14.317 3.239 1.00 0.69 H new ATOM 0 HD2 ARG A 87 -0.626 16.585 3.963 1.00 1.04 H new ATOM 0 HD3 ARG A 87 0.554 15.754 2.969 1.00 1.04 H new ATOM 0 HE ARG A 87 -1.329 17.710 1.713 1.00 1.63 H new ATOM 0 HH11 ARG A 87 1.958 16.797 2.653 1.00 2.62 H new ATOM 0 HH12 ARG A 87 2.710 17.987 1.585 1.00 2.62 H new ATOM 0 HH21 ARG A 87 -0.350 19.200 0.332 1.00 3.21 H new ATOM 0 HH22 ARG A 87 1.411 19.338 0.280 1.00 3.21 H new ATOM 554 N GLU A 88 -3.389 13.665 -1.424 1.00 0.73 N ATOM 555 CA GLU A 88 -3.465 13.599 -2.865 1.00 0.84 C ATOM 556 C GLU A 88 -3.021 14.930 -3.453 1.00 0.87 C ATOM 557 O GLU A 88 -3.718 15.940 -3.334 1.00 0.98 O ATOM 558 CB GLU A 88 -4.888 13.269 -3.315 1.00 1.06 C ATOM 559 CG GLU A 88 -5.029 13.095 -4.816 1.00 1.61 C ATOM 560 CD GLU A 88 -6.470 12.939 -5.245 1.00 1.96 C ATOM 561 OE1 GLU A 88 -7.152 13.961 -5.445 1.00 2.46 O ATOM 562 OE2 GLU A 88 -6.926 11.786 -5.390 1.00 2.21 O ATOM 0 H GLU A 88 -4.276 13.845 -0.954 1.00 0.73 H new ATOM 0 HA GLU A 88 -2.806 12.807 -3.221 1.00 0.84 H new ATOM 0 HB2 GLU A 88 -5.213 12.354 -2.820 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -5.557 14.064 -2.986 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -4.594 13.957 -5.321 1.00 1.61 H new ATOM 0 HG3 GLU A 88 -4.462 12.220 -5.132 1.00 1.61 H new ATOM 569 N SER A 89 -1.866 14.912 -4.089 1.00 0.85 N ATOM 570 CA SER A 89 -1.309 16.098 -4.711 1.00 0.95 C ATOM 571 C SER A 89 -0.208 15.682 -5.667 1.00 0.90 C ATOM 572 O SER A 89 0.847 15.221 -5.236 1.00 1.11 O ATOM 573 CB SER A 89 -0.759 17.055 -3.646 1.00 1.03 C ATOM 574 OG SER A 89 0.248 16.432 -2.862 1.00 1.58 O ATOM 0 H SER A 89 -1.288 14.077 -4.189 1.00 0.85 H new ATOM 0 HA SER A 89 -2.091 16.621 -5.261 1.00 0.95 H new ATOM 0 HB2 SER A 89 -0.350 17.943 -4.128 1.00 1.03 H new ATOM 0 HB3 SER A 89 -1.571 17.389 -3.000 1.00 1.03 H new ATOM 0 HG SER A 89 0.769 15.821 -3.424 1.00 1.58 H new ATOM 580 N SER A 90 -0.465 15.812 -6.954 1.00 0.86 N ATOM 581 CA SER A 90 0.473 15.353 -7.959 1.00 0.88 C ATOM 582 C SER A 90 1.705 16.246 -8.002 1.00 0.87 C ATOM 583 O SER A 90 1.649 17.383 -8.470 1.00 1.02 O ATOM 584 CB SER A 90 -0.210 15.312 -9.325 1.00 1.13 C ATOM 585 OG SER A 90 -1.372 14.499 -9.282 1.00 1.86 O ATOM 0 H SER A 90 -1.316 16.232 -7.328 1.00 0.86 H new ATOM 0 HA SER A 90 0.800 14.347 -7.696 1.00 0.88 H new ATOM 0 HB2 SER A 90 -0.479 16.322 -9.633 1.00 1.13 H new ATOM 0 HB3 SER A 90 0.483 14.925 -10.072 1.00 1.13 H new ATOM 0 HG SER A 90 -1.796 14.487 -10.166 1.00 1.86 H new ATOM 591 N ILE A 91 2.807 15.738 -7.473 1.00 0.86 N ATOM 592 CA ILE A 91 4.084 16.419 -7.579 1.00 1.01 C ATOM 593 C ILE A 91 4.826 15.899 -8.810 1.00 1.09 C ATOM 594 O ILE A 91 5.107 14.702 -8.920 1.00 1.08 O ATOM 595 CB ILE A 91 4.927 16.258 -6.276 1.00 1.10 C ATOM 596 CG1 ILE A 91 6.307 16.933 -6.401 1.00 1.35 C ATOM 597 CG2 ILE A 91 5.072 14.792 -5.890 1.00 1.07 C ATOM 598 CD1 ILE A 91 7.403 16.044 -6.965 1.00 1.45 C ATOM 0 H ILE A 91 2.841 14.854 -6.965 1.00 0.86 H new ATOM 0 HA ILE A 91 3.913 17.489 -7.700 1.00 1.01 H new ATOM 0 HB ILE A 91 4.385 16.765 -5.478 1.00 1.10 H new ATOM 0 HG12 ILE A 91 6.209 17.813 -7.037 1.00 1.35 H new ATOM 0 HG13 ILE A 91 6.614 17.284 -5.416 1.00 1.35 H new ATOM 0 HG21 ILE A 91 5.664 14.713 -4.978 1.00 1.07 H new ATOM 0 HG22 ILE A 91 4.085 14.361 -5.720 1.00 1.07 H new ATOM 0 HG23 ILE A 91 5.570 14.251 -6.695 1.00 1.07 H new ATOM 0 HD11 ILE A 91 8.336 16.605 -7.016 1.00 1.45 H new ATOM 0 HD12 ILE A 91 7.536 15.176 -6.319 1.00 1.45 H new ATOM 0 HD13 ILE A 91 7.124 15.713 -7.965 1.00 1.45 H new ATOM 610 N PRO A 92 5.100 16.792 -9.778 1.00 1.24 N ATOM 611 CA PRO A 92 5.761 16.429 -11.037 1.00 1.37 C ATOM 612 C PRO A 92 7.054 15.656 -10.816 1.00 1.47 C ATOM 613 O PRO A 92 7.973 16.137 -10.155 1.00 1.61 O ATOM 614 CB PRO A 92 6.056 17.780 -11.688 1.00 1.58 C ATOM 615 CG PRO A 92 5.028 18.699 -11.130 1.00 1.59 C ATOM 616 CD PRO A 92 4.777 18.231 -9.724 1.00 1.37 C ATOM 0 HA PRO A 92 5.138 15.773 -11.644 1.00 1.37 H new ATOM 0 HB2 PRO A 92 7.064 18.122 -11.452 1.00 1.58 H new ATOM 0 HB3 PRO A 92 5.986 17.720 -12.774 1.00 1.58 H new ATOM 0 HG2 PRO A 92 5.379 19.731 -11.141 1.00 1.59 H new ATOM 0 HG3 PRO A 92 4.113 18.667 -11.722 1.00 1.59 H new ATOM 0 HD2 PRO A 92 5.407 18.757 -9.007 1.00 1.37 H new ATOM 0 HD3 PRO A 92 3.743 18.399 -9.423 1.00 1.37 H new ATOM 624 N GLY A 93 7.109 14.452 -11.364 1.00 1.47 N ATOM 625 CA GLY A 93 8.286 13.623 -11.225 1.00 1.62 C ATOM 626 C GLY A 93 8.058 12.445 -10.300 1.00 1.58 C ATOM 627 O GLY A 93 8.835 11.494 -10.303 1.00 1.74 O ATOM 0 H GLY A 93 6.354 14.033 -11.906 1.00 1.47 H new ATOM 0 HA2 GLY A 93 8.587 13.257 -12.207 1.00 1.62 H new ATOM 0 HA3 GLY A 93 9.109 14.227 -10.843 1.00 1.62 H new ATOM 631 N ALA A 94 6.995 12.505 -9.507 1.00 1.40 N ATOM 632 CA ALA A 94 6.664 11.406 -8.607 1.00 1.40 C ATOM 633 C ALA A 94 5.175 11.082 -8.655 1.00 1.27 C ATOM 634 O ALA A 94 4.777 9.979 -9.041 1.00 1.38 O ATOM 635 CB ALA A 94 7.089 11.734 -7.185 1.00 1.41 C ATOM 0 H ALA A 94 6.352 13.296 -9.468 1.00 1.40 H new ATOM 0 HA ALA A 94 7.211 10.525 -8.941 1.00 1.40 H new ATOM 0 HB1 ALA A 94 6.834 10.902 -6.528 1.00 1.41 H new ATOM 0 HB2 ALA A 94 8.166 11.902 -7.157 1.00 1.41 H new ATOM 0 HB3 ALA A 94 6.573 12.633 -6.849 1.00 1.41 H new ATOM 641 N GLY A 95 4.355 12.051 -8.281 1.00 1.09 N ATOM 642 CA GLY A 95 2.926 11.850 -8.259 1.00 1.02 C ATOM 643 C GLY A 95 2.346 12.072 -6.881 1.00 0.91 C ATOM 644 O GLY A 95 2.497 13.147 -6.311 1.00 1.02 O ATOM 0 H GLY A 95 4.659 12.980 -7.990 1.00 1.09 H new ATOM 0 HA2 GLY A 95 2.453 12.531 -8.966 1.00 1.02 H new ATOM 0 HA3 GLY A 95 2.697 10.837 -8.590 1.00 1.02 H new ATOM 648 N LEU A 96 1.667 11.066 -6.361 1.00 0.79 N ATOM 649 CA LEU A 96 1.122 11.120 -5.011 1.00 0.70 C ATOM 650 C LEU A 96 2.002 10.318 -4.064 1.00 0.65 C ATOM 651 O LEU A 96 2.749 9.447 -4.502 1.00 0.99 O ATOM 652 CB LEU A 96 -0.294 10.545 -4.995 1.00 0.77 C ATOM 653 CG LEU A 96 -1.126 10.870 -6.232 1.00 1.35 C ATOM 654 CD1 LEU A 96 -2.419 10.075 -6.229 1.00 2.05 C ATOM 655 CD2 LEU A 96 -1.417 12.356 -6.293 1.00 2.31 C ATOM 0 H LEU A 96 1.477 10.194 -6.855 1.00 0.79 H new ATOM 0 HA LEU A 96 1.093 12.160 -4.686 1.00 0.70 H new ATOM 0 HB2 LEU A 96 -0.231 9.462 -4.890 1.00 0.77 H new ATOM 0 HB3 LEU A 96 -0.815 10.921 -4.114 1.00 0.77 H new ATOM 0 HG LEU A 96 -0.555 10.591 -7.117 1.00 1.35 H new ATOM 0 HD11 LEU A 96 -2.999 10.320 -7.119 1.00 2.05 H new ATOM 0 HD12 LEU A 96 -2.191 9.009 -6.227 1.00 2.05 H new ATOM 0 HD13 LEU A 96 -2.997 10.324 -5.339 1.00 2.05 H new ATOM 0 HD21 LEU A 96 -2.011 12.574 -7.180 1.00 2.31 H new ATOM 0 HD22 LEU A 96 -1.971 12.655 -5.403 1.00 2.31 H new ATOM 0 HD23 LEU A 96 -0.479 12.909 -6.340 1.00 2.31 H new ATOM 667 N GLY A 97 1.917 10.611 -2.775 1.00 0.59 N ATOM 668 CA GLY A 97 2.688 9.872 -1.799 1.00 0.57 C ATOM 669 C GLY A 97 2.223 10.144 -0.385 1.00 0.52 C ATOM 670 O GLY A 97 1.300 10.935 -0.170 1.00 0.55 O ATOM 0 H GLY A 97 1.327 11.348 -2.388 1.00 0.59 H new ATOM 0 HA2 GLY A 97 2.609 8.805 -2.007 1.00 0.57 H new ATOM 0 HA3 GLY A 97 3.741 10.138 -1.892 1.00 0.57 H new ATOM 674 N VAL A 98 2.839 9.470 0.579 1.00 0.48 N ATOM 675 CA VAL A 98 2.555 9.719 1.982 1.00 0.46 C ATOM 676 C VAL A 98 3.701 10.510 2.606 1.00 0.47 C ATOM 677 O VAL A 98 4.832 10.036 2.701 1.00 0.67 O ATOM 678 CB VAL A 98 2.289 8.414 2.773 1.00 0.47 C ATOM 679 CG1 VAL A 98 1.031 7.734 2.256 1.00 0.49 C ATOM 680 CG2 VAL A 98 3.475 7.460 2.703 1.00 0.53 C ATOM 0 H VAL A 98 3.539 8.747 0.412 1.00 0.48 H new ATOM 0 HA VAL A 98 1.638 10.306 2.036 1.00 0.46 H new ATOM 0 HB VAL A 98 2.146 8.683 3.819 1.00 0.47 H new ATOM 0 HG11 VAL A 98 0.855 6.818 2.820 1.00 0.49 H new ATOM 0 HG12 VAL A 98 0.180 8.404 2.376 1.00 0.49 H new ATOM 0 HG13 VAL A 98 1.156 7.492 1.201 1.00 0.49 H new ATOM 0 HG21 VAL A 98 3.249 6.557 3.270 1.00 0.53 H new ATOM 0 HG22 VAL A 98 3.669 7.197 1.663 1.00 0.53 H new ATOM 0 HG23 VAL A 98 4.356 7.943 3.126 1.00 0.53 H new ATOM 690 N TRP A 99 3.397 11.724 3.016 1.00 0.38 N ATOM 691 CA TRP A 99 4.420 12.675 3.415 1.00 0.39 C ATOM 692 C TRP A 99 4.856 12.450 4.856 1.00 0.35 C ATOM 693 O TRP A 99 4.025 12.375 5.764 1.00 0.38 O ATOM 694 CB TRP A 99 3.896 14.101 3.230 1.00 0.44 C ATOM 695 CG TRP A 99 3.365 14.354 1.850 1.00 0.50 C ATOM 696 CD1 TRP A 99 2.120 14.044 1.386 1.00 0.66 C ATOM 697 CD2 TRP A 99 4.060 14.962 0.754 1.00 0.62 C ATOM 698 NE1 TRP A 99 1.997 14.415 0.071 1.00 0.69 N ATOM 699 CE2 TRP A 99 3.176 14.983 -0.342 1.00 0.66 C ATOM 700 CE3 TRP A 99 5.343 15.489 0.591 1.00 0.88 C ATOM 701 CZ2 TRP A 99 3.533 15.508 -1.580 1.00 0.82 C ATOM 702 CZ3 TRP A 99 5.697 16.012 -0.638 1.00 1.13 C ATOM 703 CH2 TRP A 99 4.796 16.019 -1.710 1.00 1.06 C ATOM 0 H TRP A 99 2.443 12.080 3.083 1.00 0.38 H new ATOM 0 HA TRP A 99 5.294 12.526 2.781 1.00 0.39 H new ATOM 0 HB2 TRP A 99 3.107 14.290 3.958 1.00 0.44 H new ATOM 0 HB3 TRP A 99 4.699 14.808 3.440 1.00 0.44 H new ATOM 0 HD1 TRP A 99 1.343 13.574 1.970 1.00 0.66 H new ATOM 0 HE1 TRP A 99 1.165 14.289 -0.506 1.00 0.69 H new ATOM 0 HE3 TRP A 99 6.046 15.488 1.411 1.00 0.88 H new ATOM 0 HZ2 TRP A 99 2.839 15.512 -2.408 1.00 0.82 H new ATOM 0 HZ3 TRP A 99 6.686 16.423 -0.774 1.00 1.13 H new ATOM 0 HH2 TRP A 99 5.104 16.436 -2.658 1.00 1.06 H new ATOM 714 N ALA A 100 6.162 12.321 5.048 1.00 0.39 N ATOM 715 CA ALA A 100 6.733 12.157 6.374 1.00 0.42 C ATOM 716 C ALA A 100 6.719 13.482 7.128 1.00 0.43 C ATOM 717 O ALA A 100 7.372 14.443 6.719 1.00 0.49 O ATOM 718 CB ALA A 100 8.153 11.612 6.279 1.00 0.54 C ATOM 0 H ALA A 100 6.849 12.327 4.294 1.00 0.39 H new ATOM 0 HA ALA A 100 6.125 11.440 6.926 1.00 0.42 H new ATOM 0 HB1 ALA A 100 8.566 11.495 7.281 1.00 0.54 H new ATOM 0 HB2 ALA A 100 8.139 10.644 5.777 1.00 0.54 H new ATOM 0 HB3 ALA A 100 8.772 12.306 5.710 1.00 0.54 H new ATOM 724 N LYS A 101 5.968 13.529 8.222 1.00 0.47 N ATOM 725 CA LYS A 101 5.856 14.746 9.015 1.00 0.57 C ATOM 726 C LYS A 101 6.929 14.768 10.093 1.00 0.56 C ATOM 727 O LYS A 101 7.005 15.694 10.898 1.00 0.63 O ATOM 728 CB LYS A 101 4.467 14.857 9.650 1.00 0.69 C ATOM 729 CG LYS A 101 3.331 14.536 8.690 1.00 1.17 C ATOM 730 CD LYS A 101 2.869 13.095 8.841 1.00 0.84 C ATOM 731 CE LYS A 101 1.991 12.927 10.056 1.00 0.88 C ATOM 732 NZ LYS A 101 1.377 11.578 10.131 1.00 1.68 N ATOM 0 H LYS A 101 5.429 12.740 8.579 1.00 0.47 H new ATOM 0 HA LYS A 101 5.999 15.601 8.354 1.00 0.57 H new ATOM 0 HB2 LYS A 101 4.412 14.182 10.504 1.00 0.69 H new ATOM 0 HB3 LYS A 101 4.332 15.868 10.034 1.00 0.69 H new ATOM 0 HG2 LYS A 101 2.494 15.209 8.876 1.00 1.17 H new ATOM 0 HG3 LYS A 101 3.659 14.709 7.665 1.00 1.17 H new ATOM 0 HD2 LYS A 101 2.322 12.791 7.949 1.00 0.84 H new ATOM 0 HD3 LYS A 101 3.736 12.439 8.922 1.00 0.84 H new ATOM 0 HE2 LYS A 101 2.582 13.104 10.955 1.00 0.88 H new ATOM 0 HE3 LYS A 101 1.204 13.681 10.038 1.00 0.88 H new ATOM 0 HZ1 LYS A 101 0.797 11.508 10.992 1.00 1.68 H new ATOM 0 HZ2 LYS A 101 0.777 11.423 9.296 1.00 1.68 H new ATOM 0 HZ3 LYS A 101 2.126 10.857 10.158 1.00 1.68 H new ATOM 746 N ARG A 102 7.750 13.731 10.102 1.00 0.54 N ATOM 747 CA ARG A 102 8.884 13.654 11.002 1.00 0.58 C ATOM 748 C ARG A 102 10.066 13.050 10.263 1.00 0.54 C ATOM 749 O ARG A 102 9.890 12.335 9.276 1.00 0.54 O ATOM 750 CB ARG A 102 8.549 12.822 12.248 1.00 0.72 C ATOM 751 CG ARG A 102 9.696 12.758 13.250 1.00 0.83 C ATOM 752 CD ARG A 102 9.337 11.977 14.505 1.00 1.16 C ATOM 753 NE ARG A 102 8.902 10.611 14.225 1.00 1.80 N ATOM 754 CZ ARG A 102 9.498 9.515 14.698 1.00 2.52 C ATOM 755 NH1 ARG A 102 10.590 9.617 15.451 1.00 2.75 N ATOM 756 NH2 ARG A 102 8.993 8.318 14.425 1.00 3.50 N ATOM 0 H ARG A 102 7.648 12.923 9.488 1.00 0.54 H new ATOM 0 HA ARG A 102 9.136 14.660 11.337 1.00 0.58 H new ATOM 0 HB2 ARG A 102 7.671 13.246 12.736 1.00 0.72 H new ATOM 0 HB3 ARG A 102 8.285 11.810 11.942 1.00 0.72 H new ATOM 0 HG2 ARG A 102 10.562 12.297 12.775 1.00 0.83 H new ATOM 0 HG3 ARG A 102 9.987 13.771 13.528 1.00 0.83 H new ATOM 0 HD2 ARG A 102 10.202 11.948 15.167 1.00 1.16 H new ATOM 0 HD3 ARG A 102 8.545 12.502 15.038 1.00 1.16 H new ATOM 0 HE ARG A 102 8.086 10.486 13.626 1.00 1.80 H new ATOM 0 HH11 ARG A 102 10.975 10.536 15.669 1.00 2.75 H new ATOM 0 HH12 ARG A 102 11.042 8.776 15.810 1.00 2.75 H new ATOM 0 HH21 ARG A 102 8.151 8.238 13.855 1.00 3.50 H new ATOM 0 HH22 ARG A 102 9.447 7.479 14.785 1.00 3.50 H new ATOM 770 N LYS A 103 11.264 13.344 10.738 1.00 0.59 N ATOM 771 CA LYS A 103 12.477 12.859 10.112 1.00 0.63 C ATOM 772 C LYS A 103 12.759 11.420 10.525 1.00 0.68 C ATOM 773 O LYS A 103 12.259 10.940 11.546 1.00 0.82 O ATOM 774 CB LYS A 103 13.655 13.778 10.468 1.00 0.73 C ATOM 775 CG LYS A 103 13.593 14.365 11.876 1.00 0.98 C ATOM 776 CD LYS A 103 13.587 13.288 12.946 1.00 1.17 C ATOM 777 CE LYS A 103 14.971 12.692 13.174 1.00 2.05 C ATOM 778 NZ LYS A 103 15.937 13.699 13.689 1.00 2.40 N ATOM 0 H LYS A 103 11.421 13.922 11.564 1.00 0.59 H new ATOM 0 HA LYS A 103 12.344 12.872 9.030 1.00 0.63 H new ATOM 0 HB2 LYS A 103 14.583 13.216 10.362 1.00 0.73 H new ATOM 0 HB3 LYS A 103 13.693 14.595 9.748 1.00 0.73 H new ATOM 0 HG2 LYS A 103 14.447 15.024 12.031 1.00 0.98 H new ATOM 0 HG3 LYS A 103 12.696 14.977 11.974 1.00 0.98 H new ATOM 0 HD2 LYS A 103 13.217 13.709 13.881 1.00 1.17 H new ATOM 0 HD3 LYS A 103 12.896 12.496 12.658 1.00 1.17 H new ATOM 0 HE2 LYS A 103 14.897 11.866 13.882 1.00 2.05 H new ATOM 0 HE3 LYS A 103 15.345 12.277 12.238 1.00 2.05 H new ATOM 0 HZ1 LYS A 103 16.737 13.213 14.143 1.00 2.40 H new ATOM 0 HZ2 LYS A 103 16.287 14.279 12.900 1.00 2.40 H new ATOM 0 HZ3 LYS A 103 15.464 14.310 14.385 1.00 2.40 H new ATOM 792 N MET A 104 13.550 10.735 9.729 1.00 0.73 N ATOM 793 CA MET A 104 13.907 9.357 10.010 1.00 0.83 C ATOM 794 C MET A 104 15.410 9.184 9.931 1.00 0.87 C ATOM 795 O MET A 104 16.085 9.927 9.224 1.00 0.93 O ATOM 796 CB MET A 104 13.197 8.412 9.043 1.00 0.85 C ATOM 797 CG MET A 104 11.727 8.211 9.371 1.00 0.97 C ATOM 798 SD MET A 104 10.850 7.287 8.100 1.00 1.22 S ATOM 799 CE MET A 104 10.962 8.443 6.740 1.00 0.92 C ATOM 0 H MET A 104 13.962 11.111 8.875 1.00 0.73 H new ATOM 0 HA MET A 104 13.584 9.108 11.021 1.00 0.83 H new ATOM 0 HB2 MET A 104 13.286 8.805 8.030 1.00 0.85 H new ATOM 0 HB3 MET A 104 13.700 7.445 9.055 1.00 0.85 H new ATOM 0 HG2 MET A 104 11.640 7.685 10.322 1.00 0.97 H new ATOM 0 HG3 MET A 104 11.252 9.183 9.500 1.00 0.97 H new ATOM 0 HE1 MET A 104 9.960 8.699 6.397 1.00 0.92 H new ATOM 0 HE2 MET A 104 11.474 9.346 7.072 1.00 0.92 H new ATOM 0 HE3 MET A 104 11.521 7.989 5.922 1.00 0.92 H new ATOM 809 N GLU A 105 15.925 8.222 10.677 1.00 0.90 N ATOM 810 CA GLU A 105 17.355 7.982 10.735 1.00 0.93 C ATOM 811 C GLU A 105 17.669 6.558 10.298 1.00 0.89 C ATOM 812 O GLU A 105 16.952 5.619 10.662 1.00 1.13 O ATOM 813 CB GLU A 105 17.877 8.267 12.147 1.00 1.08 C ATOM 814 CG GLU A 105 17.029 7.670 13.257 1.00 1.64 C ATOM 815 CD GLU A 105 17.362 8.265 14.609 1.00 1.94 C ATOM 816 OE1 GLU A 105 16.685 9.231 15.021 1.00 2.25 O ATOM 817 OE2 GLU A 105 18.300 7.776 15.265 1.00 2.31 O ATOM 0 H GLU A 105 15.369 7.591 11.254 1.00 0.90 H new ATOM 0 HA GLU A 105 17.862 8.658 10.047 1.00 0.93 H new ATOM 0 HB2 GLU A 105 18.892 7.879 12.232 1.00 1.08 H new ATOM 0 HB3 GLU A 105 17.935 9.346 12.290 1.00 1.08 H new ATOM 0 HG2 GLU A 105 15.975 7.837 13.037 1.00 1.64 H new ATOM 0 HG3 GLU A 105 17.181 6.591 13.289 1.00 1.64 H new ATOM 824 N ALA A 106 18.758 6.432 9.534 1.00 0.78 N ATOM 825 CA ALA A 106 19.129 5.196 8.836 1.00 0.78 C ATOM 826 C ALA A 106 18.866 3.940 9.656 1.00 0.76 C ATOM 827 O ALA A 106 19.353 3.800 10.784 1.00 0.78 O ATOM 828 CB ALA A 106 20.592 5.251 8.425 1.00 0.84 C ATOM 0 H ALA A 106 19.416 7.196 9.380 1.00 0.78 H new ATOM 0 HA ALA A 106 18.492 5.132 7.953 1.00 0.78 H new ATOM 0 HB1 ALA A 106 20.859 4.330 7.907 1.00 0.84 H new ATOM 0 HB2 ALA A 106 20.752 6.100 7.760 1.00 0.84 H new ATOM 0 HB3 ALA A 106 21.215 5.363 9.312 1.00 0.84 H new ATOM 834 N GLY A 107 18.107 3.030 9.069 1.00 0.83 N ATOM 835 CA GLY A 107 17.727 1.809 9.745 1.00 0.91 C ATOM 836 C GLY A 107 16.227 1.730 9.924 1.00 0.87 C ATOM 837 O GLY A 107 15.712 0.828 10.586 1.00 1.04 O ATOM 0 H GLY A 107 17.742 3.118 8.121 1.00 0.83 H new ATOM 0 HA2 GLY A 107 18.074 0.949 9.172 1.00 0.91 H new ATOM 0 HA3 GLY A 107 18.216 1.761 10.718 1.00 0.91 H new ATOM 841 N GLU A 108 15.530 2.681 9.323 1.00 0.71 N ATOM 842 CA GLU A 108 14.086 2.773 9.431 1.00 0.74 C ATOM 843 C GLU A 108 13.403 1.891 8.386 1.00 0.61 C ATOM 844 O GLU A 108 14.024 1.462 7.409 1.00 0.61 O ATOM 845 CB GLU A 108 13.625 4.230 9.281 1.00 0.87 C ATOM 846 CG GLU A 108 13.942 4.855 7.927 1.00 0.85 C ATOM 847 CD GLU A 108 15.394 5.268 7.766 1.00 1.78 C ATOM 848 OE1 GLU A 108 16.225 4.393 7.465 1.00 2.62 O ATOM 849 OE2 GLU A 108 15.701 6.470 7.942 1.00 2.13 O ATOM 0 H GLU A 108 15.951 3.410 8.747 1.00 0.71 H new ATOM 0 HA GLU A 108 13.799 2.416 10.420 1.00 0.74 H new ATOM 0 HB2 GLU A 108 12.549 4.276 9.446 1.00 0.87 H new ATOM 0 HB3 GLU A 108 14.093 4.829 10.062 1.00 0.87 H new ATOM 0 HG2 GLU A 108 13.687 4.144 7.141 1.00 0.85 H new ATOM 0 HG3 GLU A 108 13.307 5.730 7.784 1.00 0.85 H new ATOM 856 N ARG A 109 12.130 1.605 8.611 1.00 0.63 N ATOM 857 CA ARG A 109 11.362 0.748 7.722 1.00 0.56 C ATOM 858 C ARG A 109 9.906 1.197 7.682 1.00 0.46 C ATOM 859 O ARG A 109 9.302 1.428 8.726 1.00 0.55 O ATOM 860 CB ARG A 109 11.470 -0.713 8.197 1.00 0.73 C ATOM 861 CG ARG A 109 10.572 -1.696 7.454 1.00 0.80 C ATOM 862 CD ARG A 109 9.184 -1.786 8.077 1.00 1.22 C ATOM 863 NE ARG A 109 9.210 -2.318 9.440 1.00 2.02 N ATOM 864 CZ ARG A 109 8.362 -1.953 10.406 1.00 2.71 C ATOM 865 NH1 ARG A 109 7.463 -0.997 10.189 1.00 2.91 N ATOM 866 NH2 ARG A 109 8.428 -2.536 11.599 1.00 3.62 N ATOM 0 H ARG A 109 11.603 1.958 9.410 1.00 0.63 H new ATOM 0 HA ARG A 109 11.766 0.821 6.712 1.00 0.56 H new ATOM 0 HB2 ARG A 109 12.505 -1.038 8.093 1.00 0.73 H new ATOM 0 HB3 ARG A 109 11.228 -0.754 9.259 1.00 0.73 H new ATOM 0 HG2 ARG A 109 10.482 -1.389 6.412 1.00 0.80 H new ATOM 0 HG3 ARG A 109 11.035 -2.683 7.456 1.00 0.80 H new ATOM 0 HD2 ARG A 109 8.730 -0.795 8.087 1.00 1.22 H new ATOM 0 HD3 ARG A 109 8.552 -2.420 7.456 1.00 1.22 H new ATOM 0 HE ARG A 109 9.922 -3.012 9.667 1.00 2.02 H new ATOM 0 HH11 ARG A 109 7.417 -0.537 9.280 1.00 2.91 H new ATOM 0 HH12 ARG A 109 6.819 -0.724 10.932 1.00 2.91 H new ATOM 0 HH21 ARG A 109 9.125 -3.260 11.775 1.00 3.62 H new ATOM 0 HH22 ARG A 109 7.782 -2.259 12.338 1.00 3.62 H new ATOM 880 N LEU A 110 9.342 1.321 6.488 1.00 0.38 N ATOM 881 CA LEU A 110 7.918 1.610 6.369 1.00 0.39 C ATOM 882 C LEU A 110 7.163 0.308 6.186 1.00 0.49 C ATOM 883 O LEU A 110 7.536 -0.518 5.349 1.00 0.53 O ATOM 884 CB LEU A 110 7.586 2.530 5.188 1.00 0.35 C ATOM 885 CG LEU A 110 8.486 3.747 4.971 1.00 0.35 C ATOM 886 CD1 LEU A 110 7.746 4.785 4.140 1.00 0.39 C ATOM 887 CD2 LEU A 110 8.945 4.347 6.292 1.00 0.41 C ATOM 0 H LEU A 110 9.838 1.228 5.602 1.00 0.38 H new ATOM 0 HA LEU A 110 7.622 2.126 7.282 1.00 0.39 H new ATOM 0 HB2 LEU A 110 7.605 1.930 4.278 1.00 0.35 H new ATOM 0 HB3 LEU A 110 6.563 2.885 5.315 1.00 0.35 H new ATOM 0 HG LEU A 110 9.379 3.423 4.436 1.00 0.35 H new ATOM 0 HD11 LEU A 110 8.388 5.652 3.986 1.00 0.39 H new ATOM 0 HD12 LEU A 110 7.479 4.355 3.175 1.00 0.39 H new ATOM 0 HD13 LEU A 110 6.841 5.092 4.664 1.00 0.39 H new ATOM 0 HD21 LEU A 110 9.582 5.210 6.098 1.00 0.41 H new ATOM 0 HD22 LEU A 110 8.076 4.661 6.871 1.00 0.41 H new ATOM 0 HD23 LEU A 110 9.506 3.601 6.855 1.00 0.41 H new ATOM 899 N GLY A 111 6.117 0.117 6.965 1.00 0.61 N ATOM 900 CA GLY A 111 5.352 -1.101 6.870 1.00 0.77 C ATOM 901 C GLY A 111 4.131 -1.084 7.755 1.00 0.88 C ATOM 902 O GLY A 111 4.007 -0.222 8.624 1.00 1.02 O ATOM 0 H GLY A 111 5.783 0.783 7.662 1.00 0.61 H new ATOM 0 HA2 GLY A 111 5.045 -1.254 5.835 1.00 0.77 H new ATOM 0 HA3 GLY A 111 5.984 -1.946 7.144 1.00 0.77 H new ATOM 906 N PRO A 112 3.207 -2.029 7.550 1.00 1.23 N ATOM 907 CA PRO A 112 3.309 -3.020 6.483 1.00 1.24 C ATOM 908 C PRO A 112 2.718 -2.524 5.164 1.00 1.05 C ATOM 909 O PRO A 112 1.919 -1.588 5.141 1.00 1.19 O ATOM 910 CB PRO A 112 2.491 -4.185 7.036 1.00 1.78 C ATOM 911 CG PRO A 112 1.447 -3.555 7.897 1.00 2.10 C ATOM 912 CD PRO A 112 1.994 -2.222 8.362 1.00 1.83 C ATOM 0 HA PRO A 112 4.342 -3.271 6.244 1.00 1.24 H new ATOM 0 HB2 PRO A 112 2.040 -4.767 6.232 1.00 1.78 H new ATOM 0 HB3 PRO A 112 3.117 -4.868 7.611 1.00 1.78 H new ATOM 0 HG2 PRO A 112 0.521 -3.417 7.340 1.00 2.10 H new ATOM 0 HG3 PRO A 112 1.214 -4.194 8.749 1.00 2.10 H new ATOM 0 HD2 PRO A 112 1.275 -1.418 8.202 1.00 1.83 H new ATOM 0 HD3 PRO A 112 2.225 -2.236 9.427 1.00 1.83 H new ATOM 920 N CYS A 113 3.147 -3.129 4.064 1.00 1.00 N ATOM 921 CA CYS A 113 2.578 -2.831 2.757 1.00 1.00 C ATOM 922 C CYS A 113 1.625 -3.944 2.351 1.00 1.17 C ATOM 923 O CYS A 113 0.471 -3.703 2.003 1.00 1.67 O ATOM 924 CB CYS A 113 3.678 -2.679 1.703 1.00 1.05 C ATOM 925 SG CYS A 113 3.073 -2.215 0.064 1.00 2.00 S ATOM 0 H CYS A 113 3.888 -3.830 4.051 1.00 1.00 H new ATOM 0 HA CYS A 113 2.035 -1.888 2.822 1.00 1.00 H new ATOM 0 HB2 CYS A 113 4.389 -1.926 2.042 1.00 1.05 H new ATOM 0 HB3 CYS A 113 4.223 -3.620 1.624 1.00 1.05 H new ATOM 0 HG CYS A 113 1.817 -2.532 -0.041 1.00 2.00 H new ATOM 1692 N GLY A 166 -1.771 -0.808 4.709 1.00 1.30 N ATOM 1693 CA GLY A 166 -0.905 -1.442 3.735 1.00 1.24 C ATOM 1694 C GLY A 166 -1.011 -0.761 2.388 1.00 1.03 C ATOM 1695 O GLY A 166 -0.011 -0.545 1.701 1.00 1.05 O ATOM 0 HA2 GLY A 166 0.127 -1.407 4.084 1.00 1.24 H new ATOM 0 HA3 GLY A 166 -1.172 -2.494 3.636 1.00 1.24 H new ATOM 1699 N SER A 167 -2.237 -0.398 2.029 1.00 0.98 N ATOM 1700 CA SER A 167 -2.513 0.301 0.781 1.00 0.99 C ATOM 1701 C SER A 167 -1.864 1.688 0.760 1.00 0.78 C ATOM 1702 O SER A 167 -1.751 2.313 -0.288 1.00 0.86 O ATOM 1703 CB SER A 167 -4.024 0.426 0.597 1.00 1.17 C ATOM 1704 OG SER A 167 -4.657 -0.828 0.782 1.00 1.82 O ATOM 0 H SER A 167 -3.066 -0.580 2.594 1.00 0.98 H new ATOM 0 HA SER A 167 -2.086 -0.276 -0.040 1.00 0.99 H new ATOM 0 HB2 SER A 167 -4.423 1.149 1.308 1.00 1.17 H new ATOM 0 HB3 SER A 167 -4.244 0.806 -0.401 1.00 1.17 H new ATOM 0 HG SER A 167 -5.624 -0.727 0.662 1.00 1.82 H new ATOM 1710 N TRP A 168 -1.443 2.164 1.923 1.00 0.62 N ATOM 1711 CA TRP A 168 -0.841 3.489 2.033 1.00 0.51 C ATOM 1712 C TRP A 168 0.546 3.522 1.387 1.00 0.42 C ATOM 1713 O TRP A 168 1.001 4.567 0.927 1.00 0.43 O ATOM 1714 CB TRP A 168 -0.748 3.909 3.506 1.00 0.56 C ATOM 1715 CG TRP A 168 0.220 3.100 4.319 1.00 0.55 C ATOM 1716 CD1 TRP A 168 0.075 1.804 4.721 1.00 0.69 C ATOM 1717 CD2 TRP A 168 1.475 3.541 4.844 1.00 0.49 C ATOM 1718 NE1 TRP A 168 1.171 1.406 5.444 1.00 0.70 N ATOM 1719 CE2 TRP A 168 2.043 2.458 5.539 1.00 0.56 C ATOM 1720 CE3 TRP A 168 2.175 4.746 4.788 1.00 0.49 C ATOM 1721 CZ2 TRP A 168 3.281 2.547 6.174 1.00 0.55 C ATOM 1722 CZ3 TRP A 168 3.403 4.835 5.417 1.00 0.51 C ATOM 1723 CH2 TRP A 168 3.945 3.741 6.102 1.00 0.50 C ATOM 0 H TRP A 168 -1.506 1.654 2.804 1.00 0.62 H new ATOM 0 HA TRP A 168 -1.479 4.194 1.501 1.00 0.51 H new ATOM 0 HB2 TRP A 168 -0.457 4.958 3.555 1.00 0.56 H new ATOM 0 HB3 TRP A 168 -1.737 3.831 3.957 1.00 0.56 H new ATOM 0 HD1 TRP A 168 -0.780 1.181 4.502 1.00 0.69 H new ATOM 0 HE1 TRP A 168 1.313 0.479 5.845 1.00 0.70 H new ATOM 0 HE3 TRP A 168 1.765 5.595 4.262 1.00 0.49 H new ATOM 0 HZ2 TRP A 168 3.700 1.704 6.703 1.00 0.55 H new ATOM 0 HZ3 TRP A 168 3.953 5.764 5.379 1.00 0.51 H new ATOM 0 HH2 TRP A 168 4.907 3.842 6.583 1.00 0.50 H new ATOM 1734 N LEU A 169 1.201 2.369 1.330 1.00 0.41 N ATOM 1735 CA LEU A 169 2.579 2.297 0.863 1.00 0.38 C ATOM 1736 C LEU A 169 2.679 2.164 -0.653 1.00 0.39 C ATOM 1737 O LEU A 169 3.745 2.382 -1.221 1.00 0.41 O ATOM 1738 CB LEU A 169 3.313 1.142 1.543 1.00 0.44 C ATOM 1739 CG LEU A 169 3.877 1.460 2.926 1.00 0.46 C ATOM 1740 CD1 LEU A 169 4.523 0.231 3.539 1.00 0.66 C ATOM 1741 CD2 LEU A 169 4.882 2.596 2.839 1.00 0.55 C ATOM 0 H LEU A 169 0.800 1.471 1.601 1.00 0.41 H new ATOM 0 HA LEU A 169 3.054 3.240 1.134 1.00 0.38 H new ATOM 0 HB2 LEU A 169 2.628 0.298 1.632 1.00 0.44 H new ATOM 0 HB3 LEU A 169 4.132 0.822 0.898 1.00 0.44 H new ATOM 0 HG LEU A 169 3.053 1.770 3.568 1.00 0.46 H new ATOM 0 HD11 LEU A 169 4.918 0.480 4.524 1.00 0.66 H new ATOM 0 HD12 LEU A 169 3.780 -0.561 3.636 1.00 0.66 H new ATOM 0 HD13 LEU A 169 5.336 -0.111 2.898 1.00 0.66 H new ATOM 0 HD21 LEU A 169 5.275 2.811 3.833 1.00 0.55 H new ATOM 0 HD22 LEU A 169 5.701 2.308 2.179 1.00 0.55 H new ATOM 0 HD23 LEU A 169 4.392 3.485 2.442 1.00 0.55 H new ATOM 1753 N LYS A 170 1.582 1.824 -1.316 1.00 0.44 N ATOM 1754 CA LYS A 170 1.611 1.664 -2.769 1.00 0.52 C ATOM 1755 C LYS A 170 1.591 3.022 -3.469 1.00 0.50 C ATOM 1756 O LYS A 170 1.647 3.099 -4.696 1.00 0.61 O ATOM 1757 CB LYS A 170 0.453 0.768 -3.258 1.00 0.66 C ATOM 1758 CG LYS A 170 -0.948 1.265 -2.906 1.00 0.74 C ATOM 1759 CD LYS A 170 -1.445 2.362 -3.844 1.00 0.83 C ATOM 1760 CE LYS A 170 -1.752 1.831 -5.238 1.00 1.15 C ATOM 1761 NZ LYS A 170 -2.891 0.875 -5.238 1.00 1.48 N ATOM 0 H LYS A 170 0.674 1.655 -0.883 1.00 0.44 H new ATOM 0 HA LYS A 170 2.545 1.166 -3.030 1.00 0.52 H new ATOM 0 HB2 LYS A 170 0.524 0.669 -4.341 1.00 0.66 H new ATOM 0 HB3 LYS A 170 0.584 -0.229 -2.837 1.00 0.66 H new ATOM 0 HG2 LYS A 170 -1.643 0.426 -2.936 1.00 0.74 H new ATOM 0 HG3 LYS A 170 -0.948 1.642 -1.883 1.00 0.74 H new ATOM 0 HD2 LYS A 170 -2.342 2.817 -3.425 1.00 0.83 H new ATOM 0 HD3 LYS A 170 -0.692 3.147 -3.914 1.00 0.83 H new ATOM 0 HE2 LYS A 170 -1.981 2.666 -5.900 1.00 1.15 H new ATOM 0 HE3 LYS A 170 -0.867 1.338 -5.640 1.00 1.15 H new ATOM 0 HZ1 LYS A 170 -3.228 0.736 -6.212 1.00 1.48 H new ATOM 0 HZ2 LYS A 170 -2.579 -0.037 -4.846 1.00 1.48 H new ATOM 0 HZ3 LYS A 170 -3.664 1.256 -4.655 1.00 1.48 H new ATOM 1775 N TYR A 171 1.512 4.090 -2.683 1.00 0.45 N ATOM 1776 CA TYR A 171 1.420 5.433 -3.238 1.00 0.52 C ATOM 1777 C TYR A 171 2.789 6.011 -3.579 1.00 0.53 C ATOM 1778 O TYR A 171 2.935 6.669 -4.605 1.00 0.68 O ATOM 1779 CB TYR A 171 0.680 6.362 -2.275 1.00 0.56 C ATOM 1780 CG TYR A 171 -0.816 6.170 -2.306 1.00 0.85 C ATOM 1781 CD1 TYR A 171 -1.593 6.737 -3.308 1.00 1.12 C ATOM 1782 CD2 TYR A 171 -1.452 5.437 -1.316 1.00 1.03 C ATOM 1783 CE1 TYR A 171 -2.965 6.578 -3.317 1.00 1.44 C ATOM 1784 CE2 TYR A 171 -2.821 5.269 -1.322 1.00 1.42 C ATOM 1785 CZ TYR A 171 -3.566 5.797 -2.406 1.00 1.58 C ATOM 1786 OH TYR A 171 -4.939 5.686 -2.318 1.00 1.97 O ATOM 0 H TYR A 171 1.510 4.051 -1.664 1.00 0.45 H new ATOM 0 HA TYR A 171 0.856 5.357 -4.168 1.00 0.52 H new ATOM 0 HB2 TYR A 171 1.042 6.190 -1.262 1.00 0.56 H new ATOM 0 HB3 TYR A 171 0.914 7.397 -2.525 1.00 0.56 H new ATOM 0 HD1 TYR A 171 -1.118 7.310 -4.091 1.00 1.12 H new ATOM 0 HD2 TYR A 171 -0.866 4.990 -0.527 1.00 1.03 H new ATOM 0 HE1 TYR A 171 -3.559 7.086 -4.063 1.00 1.44 H new ATOM 0 HE2 TYR A 171 -3.315 4.746 -0.517 1.00 1.42 H new ATOM 0 HH TYR A 171 -5.172 5.070 -1.593 1.00 1.97 H new ATOM 1796 N ILE A 172 3.790 5.737 -2.747 1.00 0.43 N ATOM 1797 CA ILE A 172 5.120 6.312 -2.952 1.00 0.46 C ATOM 1798 C ILE A 172 5.736 5.792 -4.246 1.00 0.56 C ATOM 1799 O ILE A 172 5.759 4.584 -4.498 1.00 0.67 O ATOM 1800 CB ILE A 172 6.079 6.037 -1.766 1.00 0.42 C ATOM 1801 CG1 ILE A 172 5.411 5.154 -0.698 1.00 0.42 C ATOM 1802 CG2 ILE A 172 6.575 7.350 -1.174 1.00 0.57 C ATOM 1803 CD1 ILE A 172 6.025 5.261 0.684 1.00 0.54 C ATOM 0 H ILE A 172 3.710 5.128 -1.933 1.00 0.43 H new ATOM 0 HA ILE A 172 4.985 7.392 -3.019 1.00 0.46 H new ATOM 0 HB ILE A 172 6.941 5.486 -2.142 1.00 0.42 H new ATOM 0 HG12 ILE A 172 4.356 5.420 -0.634 1.00 0.42 H new ATOM 0 HG13 ILE A 172 5.459 4.115 -1.023 1.00 0.42 H new ATOM 0 HG21 ILE A 172 7.248 7.143 -0.342 1.00 0.57 H new ATOM 0 HG22 ILE A 172 7.107 7.916 -1.939 1.00 0.57 H new ATOM 0 HG23 ILE A 172 5.725 7.932 -0.817 1.00 0.57 H new ATOM 0 HD11 ILE A 172 5.491 4.605 1.371 1.00 0.54 H new ATOM 0 HD12 ILE A 172 7.073 4.965 0.640 1.00 0.54 H new ATOM 0 HD13 ILE A 172 5.953 6.290 1.035 1.00 0.54 H new ATOM 1815 N ARG A 173 6.203 6.712 -5.083 1.00 0.71 N ATOM 1816 CA ARG A 173 6.745 6.348 -6.386 1.00 0.92 C ATOM 1817 C ARG A 173 8.203 6.776 -6.506 1.00 0.69 C ATOM 1818 O ARG A 173 8.847 7.083 -5.505 1.00 0.61 O ATOM 1819 CB ARG A 173 5.916 6.975 -7.512 1.00 1.38 C ATOM 1820 CG ARG A 173 4.439 6.612 -7.467 1.00 1.82 C ATOM 1821 CD ARG A 173 4.227 5.108 -7.386 1.00 2.22 C ATOM 1822 NE ARG A 173 4.814 4.399 -8.523 1.00 2.79 N ATOM 1823 CZ ARG A 173 5.289 3.155 -8.460 1.00 3.52 C ATOM 1824 NH1 ARG A 173 5.291 2.497 -7.307 1.00 3.84 N ATOM 1825 NH2 ARG A 173 5.773 2.576 -9.551 1.00 4.34 N ATOM 0 H ARG A 173 6.217 7.712 -4.883 1.00 0.71 H new ATOM 0 HA ARG A 173 6.695 5.263 -6.479 1.00 0.92 H new ATOM 0 HB2 ARG A 173 6.015 8.059 -7.462 1.00 1.38 H new ATOM 0 HB3 ARG A 173 6.328 6.661 -8.471 1.00 1.38 H new ATOM 0 HG2 ARG A 173 3.973 7.091 -6.606 1.00 1.82 H new ATOM 0 HG3 ARG A 173 3.942 7.001 -8.356 1.00 1.82 H new ATOM 0 HD2 ARG A 173 4.665 4.732 -6.462 1.00 2.22 H new ATOM 0 HD3 ARG A 173 3.159 4.896 -7.342 1.00 2.22 H new ATOM 0 HE ARG A 173 4.863 4.886 -9.418 1.00 2.79 H new ATOM 0 HH11 ARG A 173 4.928 2.943 -6.465 1.00 3.84 H new ATOM 0 HH12 ARG A 173 5.655 1.545 -7.264 1.00 3.84 H new ATOM 0 HH21 ARG A 173 5.781 3.083 -10.436 1.00 4.34 H new ATOM 0 HH22 ARG A 173 6.137 1.624 -9.505 1.00 4.34 H new ATOM 1839 N VAL A 174 8.715 6.789 -7.731 1.00 0.70 N ATOM 1840 CA VAL A 174 10.116 7.111 -7.976 1.00 0.63 C ATOM 1841 C VAL A 174 10.372 8.599 -7.744 1.00 0.55 C ATOM 1842 O VAL A 174 9.523 9.439 -8.033 1.00 0.62 O ATOM 1843 CB VAL A 174 10.538 6.735 -9.415 1.00 0.73 C ATOM 1844 CG1 VAL A 174 12.054 6.755 -9.553 1.00 0.98 C ATOM 1845 CG2 VAL A 174 9.981 5.372 -9.805 1.00 1.07 C ATOM 0 H VAL A 174 8.179 6.579 -8.573 1.00 0.70 H new ATOM 0 HA VAL A 174 10.712 6.526 -7.276 1.00 0.63 H new ATOM 0 HB VAL A 174 10.122 7.478 -10.095 1.00 0.73 H new ATOM 0 HG11 VAL A 174 12.330 6.488 -10.573 1.00 0.98 H new ATOM 0 HG12 VAL A 174 12.427 7.754 -9.326 1.00 0.98 H new ATOM 0 HG13 VAL A 174 12.492 6.038 -8.859 1.00 0.98 H new ATOM 0 HG21 VAL A 174 10.291 5.129 -10.821 1.00 1.07 H new ATOM 0 HG22 VAL A 174 10.360 4.614 -9.119 1.00 1.07 H new ATOM 0 HG23 VAL A 174 8.892 5.396 -9.754 1.00 1.07 H new ATOM 1855 N ALA A 175 11.549 8.906 -7.207 1.00 0.53 N ATOM 1856 CA ALA A 175 11.928 10.280 -6.910 1.00 0.57 C ATOM 1857 C ALA A 175 12.063 11.099 -8.185 1.00 0.52 C ATOM 1858 O ALA A 175 12.528 10.603 -9.214 1.00 0.57 O ATOM 1859 CB ALA A 175 13.230 10.308 -6.128 1.00 0.71 C ATOM 0 H ALA A 175 12.260 8.215 -6.968 1.00 0.53 H new ATOM 0 HA ALA A 175 11.139 10.725 -6.303 1.00 0.57 H new ATOM 0 HB1 ALA A 175 13.503 11.341 -5.912 1.00 0.71 H new ATOM 0 HB2 ALA A 175 13.104 9.763 -5.193 1.00 0.71 H new ATOM 0 HB3 ALA A 175 14.019 9.840 -6.717 1.00 0.71 H new ATOM 1865 N CYS A 176 11.658 12.361 -8.088 1.00 0.62 N ATOM 1866 CA CYS A 176 11.684 13.292 -9.210 1.00 0.69 C ATOM 1867 C CYS A 176 13.112 13.546 -9.689 1.00 0.68 C ATOM 1868 O CYS A 176 13.330 13.986 -10.818 1.00 0.84 O ATOM 1869 CB CYS A 176 11.030 14.611 -8.786 1.00 0.85 C ATOM 1870 SG CYS A 176 10.889 15.843 -10.105 1.00 1.88 S ATOM 0 H CYS A 176 11.301 12.769 -7.224 1.00 0.62 H new ATOM 0 HA CYS A 176 11.129 12.852 -10.039 1.00 0.69 H new ATOM 0 HB2 CYS A 176 10.034 14.399 -8.398 1.00 0.85 H new ATOM 0 HB3 CYS A 176 11.607 15.040 -7.967 1.00 0.85 H new ATOM 0 HG CYS A 176 9.684 16.330 -10.117 1.00 1.88 H new ATOM 1876 N SER A 177 14.081 13.254 -8.836 1.00 0.63 N ATOM 1877 CA SER A 177 15.474 13.464 -9.174 1.00 0.71 C ATOM 1878 C SER A 177 16.271 12.177 -8.985 1.00 0.65 C ATOM 1879 O SER A 177 16.080 11.443 -8.010 1.00 0.66 O ATOM 1880 CB SER A 177 16.047 14.593 -8.313 1.00 0.88 C ATOM 1881 OG SER A 177 17.460 14.681 -8.424 1.00 1.63 O ATOM 0 H SER A 177 13.925 12.870 -7.904 1.00 0.63 H new ATOM 0 HA SER A 177 15.548 13.751 -10.223 1.00 0.71 H new ATOM 0 HB2 SER A 177 15.600 15.541 -8.613 1.00 0.88 H new ATOM 0 HB3 SER A 177 15.775 14.428 -7.271 1.00 0.88 H new ATOM 0 HG SER A 177 17.869 14.500 -7.552 1.00 1.63 H new ATOM 1887 N CYS A 178 17.169 11.915 -9.929 1.00 0.71 N ATOM 1888 CA CYS A 178 17.964 10.693 -9.933 1.00 0.76 C ATOM 1889 C CYS A 178 19.101 10.769 -8.925 1.00 0.71 C ATOM 1890 O CYS A 178 19.569 9.755 -8.421 1.00 0.77 O ATOM 1891 CB CYS A 178 18.522 10.445 -11.336 1.00 1.00 C ATOM 1892 SG CYS A 178 19.368 11.877 -12.048 1.00 1.96 S ATOM 0 H CYS A 178 17.365 12.541 -10.710 1.00 0.71 H new ATOM 0 HA CYS A 178 17.317 9.864 -9.646 1.00 0.76 H new ATOM 0 HB2 CYS A 178 19.217 9.606 -11.298 1.00 1.00 H new ATOM 0 HB3 CYS A 178 17.705 10.152 -11.995 1.00 1.00 H new ATOM 0 HG CYS A 178 20.148 12.409 -11.154 1.00 1.96 H new ATOM 1898 N ASP A 179 19.544 11.977 -8.626 1.00 0.76 N ATOM 1899 CA ASP A 179 20.626 12.171 -7.670 1.00 0.88 C ATOM 1900 C ASP A 179 20.067 12.290 -6.260 1.00 0.82 C ATOM 1901 O ASP A 179 20.810 12.369 -5.281 1.00 0.99 O ATOM 1902 CB ASP A 179 21.446 13.410 -8.037 1.00 1.08 C ATOM 1903 CG ASP A 179 22.207 13.228 -9.335 1.00 1.81 C ATOM 1904 OD1 ASP A 179 21.570 13.183 -10.405 1.00 2.40 O ATOM 1905 OD2 ASP A 179 23.456 13.152 -9.294 1.00 2.42 O ATOM 0 H ASP A 179 19.174 12.838 -9.029 1.00 0.76 H new ATOM 0 HA ASP A 179 21.286 11.304 -7.705 1.00 0.88 H new ATOM 0 HB2 ASP A 179 20.782 14.270 -8.124 1.00 1.08 H new ATOM 0 HB3 ASP A 179 22.149 13.630 -7.233 1.00 1.08 H new ATOM 1910 N ASP A 180 18.745 12.278 -6.169 1.00 0.70 N ATOM 1911 CA ASP A 180 18.054 12.385 -4.893 1.00 0.75 C ATOM 1912 C ASP A 180 17.439 11.049 -4.508 1.00 0.60 C ATOM 1913 O ASP A 180 16.557 10.989 -3.652 1.00 0.64 O ATOM 1914 CB ASP A 180 16.961 13.459 -4.949 1.00 0.92 C ATOM 1915 CG ASP A 180 17.512 14.870 -5.029 1.00 1.41 C ATOM 1916 OD1 ASP A 180 18.257 15.172 -5.986 1.00 2.12 O ATOM 1917 OD2 ASP A 180 17.204 15.688 -4.135 1.00 1.55 O ATOM 0 H ASP A 180 18.124 12.194 -6.974 1.00 0.70 H new ATOM 0 HA ASP A 180 18.787 12.672 -4.139 1.00 0.75 H new ATOM 0 HB2 ASP A 180 16.324 13.275 -5.814 1.00 0.92 H new ATOM 0 HB3 ASP A 180 16.330 13.372 -4.065 1.00 0.92 H new ATOM 1922 N GLN A 181 17.889 9.980 -5.163 1.00 0.51 N ATOM 1923 CA GLN A 181 17.378 8.643 -4.878 1.00 0.46 C ATOM 1924 C GLN A 181 17.593 8.279 -3.421 1.00 0.46 C ATOM 1925 O GLN A 181 18.719 8.256 -2.926 1.00 0.56 O ATOM 1926 CB GLN A 181 18.038 7.585 -5.760 1.00 0.56 C ATOM 1927 CG GLN A 181 17.766 7.757 -7.248 1.00 0.62 C ATOM 1928 CD GLN A 181 16.318 7.517 -7.629 1.00 0.70 C ATOM 1929 OE1 GLN A 181 15.530 8.578 -7.669 1.00 1.35 O flip ATOM 1930 NE2 GLN A 181 15.913 6.390 -7.911 1.00 0.98 N flip ATOM 0 H GLN A 181 18.603 10.014 -5.891 1.00 0.51 H new ATOM 0 HA GLN A 181 16.310 8.662 -5.095 1.00 0.46 H new ATOM 0 HB2 GLN A 181 19.115 7.609 -5.593 1.00 0.56 H new ATOM 0 HB3 GLN A 181 17.690 6.600 -5.450 1.00 0.56 H new ATOM 0 HG2 GLN A 181 18.050 8.766 -7.547 1.00 0.62 H new ATOM 0 HG3 GLN A 181 18.400 7.069 -7.807 1.00 0.62 H new ATOM 0 HE21 GLN A 181 16.549 5.594 -7.869 1.00 0.98 H new ATOM 0 HE22 GLN A 181 14.941 6.252 -8.187 1.00 0.98 H new ATOM 1939 N ASN A 182 16.497 8.015 -2.747 1.00 0.40 N ATOM 1940 CA ASN A 182 16.516 7.565 -1.375 1.00 0.41 C ATOM 1941 C ASN A 182 15.397 6.545 -1.215 1.00 0.36 C ATOM 1942 O ASN A 182 14.742 6.445 -0.182 1.00 0.42 O ATOM 1943 CB ASN A 182 16.353 8.763 -0.434 1.00 0.49 C ATOM 1944 CG ASN A 182 16.542 8.405 1.021 1.00 0.99 C ATOM 1945 OD1 ASN A 182 17.660 8.311 1.515 1.00 1.68 O ATOM 1946 ND2 ASN A 182 15.447 8.223 1.722 1.00 0.93 N ATOM 0 H ASN A 182 15.560 8.107 -3.139 1.00 0.40 H new ATOM 0 HA ASN A 182 17.465 7.094 -1.119 1.00 0.41 H new ATOM 0 HB2 ASN A 182 17.073 9.534 -0.709 1.00 0.49 H new ATOM 0 HB3 ASN A 182 15.360 9.192 -0.570 1.00 0.49 H new ATOM 0 HD21 ASN A 182 15.509 7.995 2.714 1.00 0.93 H new ATOM 0 HD22 ASN A 182 14.535 8.310 1.274 1.00 0.93 H new ATOM 1953 N LEU A 183 15.197 5.778 -2.275 1.00 0.34 N ATOM 1954 CA LEU A 183 14.080 4.854 -2.354 1.00 0.35 C ATOM 1955 C LEU A 183 14.570 3.423 -2.534 1.00 0.36 C ATOM 1956 O LEU A 183 15.343 3.135 -3.448 1.00 0.39 O ATOM 1957 CB LEU A 183 13.166 5.217 -3.533 1.00 0.39 C ATOM 1958 CG LEU A 183 13.030 6.705 -3.851 1.00 0.46 C ATOM 1959 CD1 LEU A 183 14.160 7.173 -4.744 1.00 0.73 C ATOM 1960 CD2 LEU A 183 11.698 6.989 -4.513 1.00 0.81 C ATOM 0 H LEU A 183 15.800 5.779 -3.098 1.00 0.34 H new ATOM 0 HA LEU A 183 13.523 4.929 -1.420 1.00 0.35 H new ATOM 0 HB2 LEU A 183 13.538 4.710 -4.423 1.00 0.39 H new ATOM 0 HB3 LEU A 183 12.172 4.818 -3.331 1.00 0.39 H new ATOM 0 HG LEU A 183 13.081 7.254 -2.910 1.00 0.46 H new ATOM 0 HD11 LEU A 183 14.040 8.235 -4.956 1.00 0.73 H new ATOM 0 HD12 LEU A 183 15.113 7.008 -4.241 1.00 0.73 H new ATOM 0 HD13 LEU A 183 14.141 6.612 -5.679 1.00 0.73 H new ATOM 0 HD21 LEU A 183 11.620 8.054 -4.732 1.00 0.81 H new ATOM 0 HD22 LEU A 183 11.625 6.422 -5.441 1.00 0.81 H new ATOM 0 HD23 LEU A 183 10.889 6.696 -3.844 1.00 0.81 H new ATOM 1972 N THR A 184 14.143 2.534 -1.650 1.00 0.37 N ATOM 1973 CA THR A 184 14.428 1.115 -1.796 1.00 0.41 C ATOM 1974 C THR A 184 13.319 0.274 -1.167 1.00 0.41 C ATOM 1975 O THR A 184 12.867 0.552 -0.057 1.00 0.45 O ATOM 1976 CB THR A 184 15.787 0.742 -1.159 1.00 0.45 C ATOM 1977 OG1 THR A 184 16.845 1.459 -1.807 1.00 0.51 O ATOM 1978 CG2 THR A 184 16.057 -0.753 -1.259 1.00 0.49 C ATOM 0 H THR A 184 13.597 2.771 -0.822 1.00 0.37 H new ATOM 0 HA THR A 184 14.478 0.903 -2.864 1.00 0.41 H new ATOM 0 HB THR A 184 15.745 1.015 -0.104 1.00 0.45 H new ATOM 0 HG1 THR A 184 16.475 2.001 -2.535 1.00 0.51 H new ATOM 0 HG21 THR A 184 17.020 -0.980 -0.802 1.00 0.49 H new ATOM 0 HG22 THR A 184 15.270 -1.300 -0.740 1.00 0.49 H new ATOM 0 HG23 THR A 184 16.074 -1.050 -2.308 1.00 0.49 H new ATOM 1986 N MET A 185 12.859 -0.732 -1.889 1.00 0.49 N ATOM 1987 CA MET A 185 11.892 -1.674 -1.348 1.00 0.51 C ATOM 1988 C MET A 185 12.605 -2.948 -0.915 1.00 0.60 C ATOM 1989 O MET A 185 13.525 -3.412 -1.587 1.00 0.90 O ATOM 1990 CB MET A 185 10.814 -1.999 -2.383 1.00 0.77 C ATOM 1991 CG MET A 185 9.854 -3.095 -1.940 1.00 1.01 C ATOM 1992 SD MET A 185 8.684 -3.565 -3.229 1.00 1.35 S ATOM 1993 CE MET A 185 7.694 -2.080 -3.363 1.00 1.03 C ATOM 0 H MET A 185 13.139 -0.919 -2.852 1.00 0.49 H new ATOM 0 HA MET A 185 11.408 -1.220 -0.483 1.00 0.51 H new ATOM 0 HB2 MET A 185 10.245 -1.095 -2.599 1.00 0.77 H new ATOM 0 HB3 MET A 185 11.295 -2.303 -3.313 1.00 0.77 H new ATOM 0 HG2 MET A 185 10.426 -3.972 -1.638 1.00 1.01 H new ATOM 0 HG3 MET A 185 9.303 -2.756 -1.062 1.00 1.01 H new ATOM 0 HE1 MET A 185 6.654 -2.315 -3.138 1.00 1.03 H new ATOM 0 HE2 MET A 185 8.059 -1.334 -2.657 1.00 1.03 H new ATOM 0 HE3 MET A 185 7.765 -1.685 -4.377 1.00 1.03 H new ATOM 2003 N CYS A 186 12.188 -3.501 0.211 1.00 0.55 N ATOM 2004 CA CYS A 186 12.800 -4.707 0.739 1.00 0.81 C ATOM 2005 C CYS A 186 11.760 -5.794 0.971 1.00 0.71 C ATOM 2006 O CYS A 186 10.704 -5.551 1.560 1.00 0.65 O ATOM 2007 CB CYS A 186 13.551 -4.391 2.037 1.00 1.10 C ATOM 2008 SG CYS A 186 15.164 -3.616 1.780 1.00 1.73 S ATOM 0 H CYS A 186 11.425 -3.132 0.779 1.00 0.55 H new ATOM 0 HA CYS A 186 13.512 -5.081 0.003 1.00 0.81 H new ATOM 0 HB2 CYS A 186 12.936 -3.732 2.650 1.00 1.10 H new ATOM 0 HB3 CYS A 186 13.688 -5.314 2.600 1.00 1.10 H new ATOM 0 HG CYS A 186 15.722 -3.384 2.931 1.00 1.73 H new ATOM 2014 N GLN A 187 12.064 -6.989 0.488 1.00 0.81 N ATOM 2015 CA GLN A 187 11.205 -8.140 0.687 1.00 0.79 C ATOM 2016 C GLN A 187 11.845 -9.052 1.727 1.00 0.87 C ATOM 2017 O GLN A 187 12.825 -9.740 1.447 1.00 1.01 O ATOM 2018 CB GLN A 187 11.003 -8.870 -0.652 1.00 0.95 C ATOM 2019 CG GLN A 187 9.914 -9.940 -0.655 1.00 1.08 C ATOM 2020 CD GLN A 187 10.374 -11.276 -0.100 1.00 1.47 C ATOM 2021 OE1 GLN A 187 10.150 -11.498 1.183 1.00 1.93 O flip ATOM 2022 NE2 GLN A 187 10.902 -12.115 -0.829 1.00 1.60 N flip ATOM 0 H GLN A 187 12.908 -7.185 -0.049 1.00 0.81 H new ATOM 0 HA GLN A 187 10.225 -7.830 1.049 1.00 0.79 H new ATOM 0 HB2 GLN A 187 10.765 -8.131 -1.417 1.00 0.95 H new ATOM 0 HB3 GLN A 187 11.946 -9.334 -0.939 1.00 0.95 H new ATOM 0 HG2 GLN A 187 9.066 -9.585 -0.069 1.00 1.08 H new ATOM 0 HG3 GLN A 187 9.559 -10.083 -1.676 1.00 1.08 H new ATOM 0 HE21 GLN A 187 11.059 -11.907 -1.815 1.00 1.60 H new ATOM 0 HE22 GLN A 187 11.183 -13.018 -0.447 1.00 1.60 H new ATOM 2031 N ILE A 188 11.295 -9.033 2.929 1.00 0.82 N ATOM 2032 CA ILE A 188 11.824 -9.822 4.035 1.00 0.92 C ATOM 2033 C ILE A 188 10.683 -10.430 4.834 1.00 0.95 C ATOM 2034 O ILE A 188 9.625 -9.822 4.946 1.00 0.87 O ATOM 2035 CB ILE A 188 12.712 -8.974 4.979 1.00 0.99 C ATOM 2036 CG1 ILE A 188 11.980 -7.697 5.397 1.00 0.96 C ATOM 2037 CG2 ILE A 188 14.031 -8.628 4.308 1.00 1.07 C ATOM 2038 CD1 ILE A 188 12.717 -6.884 6.439 1.00 1.11 C ATOM 0 H ILE A 188 10.475 -8.475 3.168 1.00 0.82 H new ATOM 0 HA ILE A 188 12.442 -10.610 3.604 1.00 0.92 H new ATOM 0 HB ILE A 188 12.923 -9.564 5.871 1.00 0.99 H new ATOM 0 HG12 ILE A 188 11.817 -7.078 4.515 1.00 0.96 H new ATOM 0 HG13 ILE A 188 10.997 -7.963 5.786 1.00 0.96 H new ATOM 0 HG21 ILE A 188 14.640 -8.032 4.988 1.00 1.07 H new ATOM 0 HG22 ILE A 188 14.562 -9.546 4.055 1.00 1.07 H new ATOM 0 HG23 ILE A 188 13.838 -8.058 3.399 1.00 1.07 H new ATOM 0 HD11 ILE A 188 12.136 -5.995 6.684 1.00 1.11 H new ATOM 0 HD12 ILE A 188 12.857 -7.485 7.337 1.00 1.11 H new ATOM 0 HD13 ILE A 188 13.689 -6.586 6.047 1.00 1.11 H new ATOM 2050 N SER A 189 10.889 -11.645 5.336 1.00 1.12 N ATOM 2051 CA SER A 189 9.890 -12.343 6.146 1.00 1.23 C ATOM 2052 C SER A 189 8.645 -12.647 5.306 1.00 1.13 C ATOM 2053 O SER A 189 7.527 -12.707 5.820 1.00 1.15 O ATOM 2054 CB SER A 189 9.525 -11.506 7.385 1.00 1.31 C ATOM 2055 OG SER A 189 8.898 -12.295 8.386 1.00 1.86 O ATOM 0 H SER A 189 11.750 -12.173 5.194 1.00 1.12 H new ATOM 0 HA SER A 189 10.312 -13.288 6.487 1.00 1.23 H new ATOM 0 HB2 SER A 189 10.426 -11.049 7.794 1.00 1.31 H new ATOM 0 HB3 SER A 189 8.860 -10.694 7.092 1.00 1.31 H new ATOM 0 HG SER A 189 8.152 -12.793 7.991 1.00 1.86 H new ATOM 2061 N GLU A 190 8.866 -12.839 4.005 1.00 1.11 N ATOM 2062 CA GLU A 190 7.797 -13.115 3.042 1.00 1.13 C ATOM 2063 C GLU A 190 6.756 -11.990 3.026 1.00 0.96 C ATOM 2064 O GLU A 190 5.564 -12.234 2.845 1.00 1.05 O ATOM 2065 CB GLU A 190 7.119 -14.458 3.341 1.00 1.34 C ATOM 2066 CG GLU A 190 8.086 -15.632 3.455 1.00 1.74 C ATOM 2067 CD GLU A 190 8.995 -15.777 2.249 1.00 2.26 C ATOM 2068 OE1 GLU A 190 8.520 -16.224 1.186 1.00 2.66 O ATOM 2069 OE2 GLU A 190 10.198 -15.467 2.369 1.00 2.83 O ATOM 0 H GLU A 190 9.796 -12.807 3.587 1.00 1.11 H new ATOM 0 HA GLU A 190 8.256 -13.170 2.055 1.00 1.13 H new ATOM 0 HB2 GLU A 190 6.559 -14.371 4.272 1.00 1.34 H new ATOM 0 HB3 GLU A 190 6.397 -14.671 2.553 1.00 1.34 H new ATOM 0 HG2 GLU A 190 8.697 -15.506 4.349 1.00 1.74 H new ATOM 0 HG3 GLU A 190 7.516 -16.552 3.585 1.00 1.74 H new ATOM 2076 N GLN A 191 7.214 -10.761 3.236 1.00 0.81 N ATOM 2077 CA GLN A 191 6.338 -9.595 3.201 1.00 0.71 C ATOM 2078 C GLN A 191 7.071 -8.387 2.629 1.00 0.61 C ATOM 2079 O GLN A 191 8.303 -8.314 2.680 1.00 0.65 O ATOM 2080 CB GLN A 191 5.793 -9.301 4.603 1.00 0.78 C ATOM 2081 CG GLN A 191 6.819 -9.506 5.708 1.00 0.87 C ATOM 2082 CD GLN A 191 6.236 -9.501 7.113 1.00 1.15 C ATOM 2083 OE1 GLN A 191 6.912 -9.125 8.068 1.00 1.75 O ATOM 2084 NE2 GLN A 191 4.992 -9.932 7.260 1.00 1.46 N ATOM 0 H GLN A 191 8.191 -10.546 3.433 1.00 0.81 H new ATOM 0 HA GLN A 191 5.494 -9.810 2.546 1.00 0.71 H new ATOM 0 HB2 GLN A 191 5.435 -8.272 4.637 1.00 0.78 H new ATOM 0 HB3 GLN A 191 4.933 -9.944 4.792 1.00 0.78 H new ATOM 0 HG2 GLN A 191 7.329 -10.455 5.542 1.00 0.87 H new ATOM 0 HG3 GLN A 191 7.573 -8.722 5.637 1.00 0.87 H new ATOM 0 HE21 GLN A 191 4.458 -10.237 6.446 1.00 1.46 H new ATOM 0 HE22 GLN A 191 4.568 -9.959 8.187 1.00 1.46 H new ATOM 2093 N ILE A 192 6.312 -7.456 2.061 1.00 0.56 N ATOM 2094 CA ILE A 192 6.887 -6.294 1.395 1.00 0.50 C ATOM 2095 C ILE A 192 6.985 -5.095 2.334 1.00 0.47 C ATOM 2096 O ILE A 192 6.006 -4.715 2.985 1.00 0.61 O ATOM 2097 CB ILE A 192 6.053 -5.897 0.155 1.00 0.65 C ATOM 2098 CG1 ILE A 192 6.020 -7.045 -0.857 1.00 0.89 C ATOM 2099 CG2 ILE A 192 6.595 -4.629 -0.490 1.00 0.64 C ATOM 2100 CD1 ILE A 192 7.378 -7.417 -1.412 1.00 1.01 C ATOM 0 H ILE A 192 5.292 -7.485 2.049 1.00 0.56 H new ATOM 0 HA ILE A 192 7.892 -6.577 1.083 1.00 0.50 H new ATOM 0 HB ILE A 192 5.034 -5.694 0.485 1.00 0.65 H new ATOM 0 HG12 ILE A 192 5.581 -7.922 -0.382 1.00 0.89 H new ATOM 0 HG13 ILE A 192 5.365 -6.769 -1.683 1.00 0.89 H new ATOM 0 HG21 ILE A 192 5.988 -4.375 -1.359 1.00 0.64 H new ATOM 0 HG22 ILE A 192 6.559 -3.811 0.229 1.00 0.64 H new ATOM 0 HG23 ILE A 192 7.626 -4.792 -0.803 1.00 0.64 H new ATOM 0 HD11 ILE A 192 7.269 -8.238 -2.121 1.00 1.01 H new ATOM 0 HD12 ILE A 192 7.813 -6.555 -1.918 1.00 1.01 H new ATOM 0 HD13 ILE A 192 8.032 -7.727 -0.597 1.00 1.01 H new ATOM 2112 N TYR A 193 8.178 -4.514 2.398 1.00 0.48 N ATOM 2113 CA TYR A 193 8.419 -3.305 3.172 1.00 0.68 C ATOM 2114 C TYR A 193 9.165 -2.276 2.337 1.00 0.50 C ATOM 2115 O TYR A 193 9.858 -2.623 1.381 1.00 0.47 O ATOM 2116 CB TYR A 193 9.248 -3.613 4.418 1.00 1.05 C ATOM 2117 CG TYR A 193 8.508 -4.377 5.486 1.00 1.54 C ATOM 2118 CD1 TYR A 193 8.968 -5.609 5.928 1.00 2.35 C ATOM 2119 CD2 TYR A 193 7.361 -3.857 6.065 1.00 1.86 C ATOM 2120 CE1 TYR A 193 8.305 -6.300 6.919 1.00 3.17 C ATOM 2121 CE2 TYR A 193 6.689 -4.543 7.055 1.00 2.49 C ATOM 2122 CZ TYR A 193 7.166 -5.762 7.481 1.00 3.09 C ATOM 2123 OH TYR A 193 6.501 -6.439 8.474 1.00 3.94 O ATOM 0 H TYR A 193 9.003 -4.869 1.915 1.00 0.48 H new ATOM 0 HA TYR A 193 7.449 -2.907 3.469 1.00 0.68 H new ATOM 0 HB2 TYR A 193 10.127 -4.186 4.122 1.00 1.05 H new ATOM 0 HB3 TYR A 193 9.606 -2.675 4.842 1.00 1.05 H new ATOM 0 HD1 TYR A 193 9.859 -6.033 5.489 1.00 2.35 H new ATOM 0 HD2 TYR A 193 6.987 -2.899 5.735 1.00 1.86 H new ATOM 0 HE1 TYR A 193 8.675 -7.258 7.254 1.00 3.17 H new ATOM 0 HE2 TYR A 193 5.794 -4.126 7.493 1.00 2.49 H new ATOM 0 HH TYR A 193 6.738 -7.389 8.437 1.00 3.94 H new ATOM 2133 N TYR A 194 9.023 -1.012 2.696 1.00 0.49 N ATOM 2134 CA TYR A 194 9.796 0.041 2.069 1.00 0.41 C ATOM 2135 C TYR A 194 10.906 0.465 3.011 1.00 0.40 C ATOM 2136 O TYR A 194 10.647 0.984 4.097 1.00 0.49 O ATOM 2137 CB TYR A 194 8.906 1.233 1.707 1.00 0.56 C ATOM 2138 CG TYR A 194 7.918 0.940 0.593 1.00 0.59 C ATOM 2139 CD1 TYR A 194 6.902 0.004 0.763 1.00 0.80 C ATOM 2140 CD2 TYR A 194 7.987 1.609 -0.622 1.00 0.78 C ATOM 2141 CE1 TYR A 194 5.992 -0.256 -0.241 1.00 0.89 C ATOM 2142 CE2 TYR A 194 7.079 1.354 -1.631 1.00 0.85 C ATOM 2143 CZ TYR A 194 6.128 0.382 -1.464 1.00 0.80 C ATOM 2144 OH TYR A 194 5.179 0.167 -2.438 1.00 0.92 O ATOM 0 H TYR A 194 8.379 -0.692 3.419 1.00 0.49 H new ATOM 0 HA TYR A 194 10.230 -0.335 1.142 1.00 0.41 H new ATOM 0 HB2 TYR A 194 8.357 1.548 2.594 1.00 0.56 H new ATOM 0 HB3 TYR A 194 9.538 2.070 1.410 1.00 0.56 H new ATOM 0 HD1 TYR A 194 6.824 -0.529 1.699 1.00 0.80 H new ATOM 0 HD2 TYR A 194 8.764 2.342 -0.781 1.00 0.78 H new ATOM 0 HE1 TYR A 194 5.181 -0.950 -0.076 1.00 0.89 H new ATOM 0 HE2 TYR A 194 7.119 1.920 -2.550 1.00 0.85 H new ATOM 0 HH TYR A 194 4.488 0.859 -2.380 1.00 0.92 H new ATOM 2154 N LYS A 195 12.137 0.220 2.607 1.00 0.37 N ATOM 2155 CA LYS A 195 13.281 0.490 3.454 1.00 0.38 C ATOM 2156 C LYS A 195 13.925 1.799 3.048 1.00 0.39 C ATOM 2157 O LYS A 195 14.387 1.954 1.917 1.00 0.43 O ATOM 2158 CB LYS A 195 14.290 -0.663 3.379 1.00 0.40 C ATOM 2159 CG LYS A 195 15.473 -0.516 4.327 1.00 0.43 C ATOM 2160 CD LYS A 195 16.663 0.178 3.675 1.00 0.46 C ATOM 2161 CE LYS A 195 17.305 -0.690 2.604 1.00 0.53 C ATOM 2162 NZ LYS A 195 18.572 -0.099 2.097 1.00 1.11 N ATOM 0 H LYS A 195 12.371 -0.167 1.693 1.00 0.37 H new ATOM 0 HA LYS A 195 12.945 0.574 4.487 1.00 0.38 H new ATOM 0 HB2 LYS A 195 13.775 -1.598 3.600 1.00 0.40 H new ATOM 0 HB3 LYS A 195 14.664 -0.739 2.358 1.00 0.40 H new ATOM 0 HG2 LYS A 195 15.162 0.051 5.205 1.00 0.43 H new ATOM 0 HG3 LYS A 195 15.779 -1.502 4.676 1.00 0.43 H new ATOM 0 HD2 LYS A 195 16.337 1.120 3.233 1.00 0.46 H new ATOM 0 HD3 LYS A 195 17.403 0.423 4.437 1.00 0.46 H new ATOM 0 HE2 LYS A 195 17.504 -1.681 3.011 1.00 0.53 H new ATOM 0 HE3 LYS A 195 16.608 -0.820 1.776 1.00 0.53 H new ATOM 0 HZ1 LYS A 195 18.978 -0.721 1.369 1.00 1.11 H new ATOM 0 HZ2 LYS A 195 18.378 0.836 1.685 1.00 1.11 H new ATOM 0 HZ3 LYS A 195 19.247 0.001 2.882 1.00 1.11 H new ATOM 2176 N VAL A 196 13.949 2.739 3.969 1.00 0.41 N ATOM 2177 CA VAL A 196 14.534 4.033 3.704 1.00 0.45 C ATOM 2178 C VAL A 196 16.034 3.966 3.910 1.00 0.43 C ATOM 2179 O VAL A 196 16.540 3.147 4.676 1.00 0.41 O ATOM 2180 CB VAL A 196 13.942 5.138 4.583 1.00 0.51 C ATOM 2181 CG1 VAL A 196 14.095 6.468 3.887 1.00 0.70 C ATOM 2182 CG2 VAL A 196 12.481 4.863 4.913 1.00 0.68 C ATOM 0 H VAL A 196 13.569 2.629 4.909 1.00 0.41 H new ATOM 0 HA VAL A 196 14.304 4.286 2.669 1.00 0.45 H new ATOM 0 HB VAL A 196 14.486 5.162 5.527 1.00 0.51 H new ATOM 0 HG11 VAL A 196 13.674 7.256 4.511 1.00 0.70 H new ATOM 0 HG12 VAL A 196 15.152 6.668 3.714 1.00 0.70 H new ATOM 0 HG13 VAL A 196 13.569 6.442 2.932 1.00 0.70 H new ATOM 0 HG21 VAL A 196 12.092 5.667 5.538 1.00 0.68 H new ATOM 0 HG22 VAL A 196 11.903 4.809 3.990 1.00 0.68 H new ATOM 0 HG23 VAL A 196 12.401 3.916 5.447 1.00 0.68 H new ATOM 2192 N ILE A 197 16.730 4.821 3.194 1.00 0.47 N ATOM 2193 CA ILE A 197 18.175 4.720 3.060 1.00 0.45 C ATOM 2194 C ILE A 197 18.884 5.583 4.090 1.00 0.45 C ATOM 2195 O ILE A 197 19.725 5.100 4.847 1.00 0.49 O ATOM 2196 CB ILE A 197 18.644 5.151 1.651 1.00 0.47 C ATOM 2197 CG1 ILE A 197 17.527 4.977 0.624 1.00 0.60 C ATOM 2198 CG2 ILE A 197 19.863 4.353 1.226 1.00 0.47 C ATOM 2199 CD1 ILE A 197 17.002 3.567 0.512 1.00 0.62 C ATOM 0 H ILE A 197 16.317 5.605 2.688 1.00 0.47 H new ATOM 0 HA ILE A 197 18.430 3.673 3.221 1.00 0.45 H new ATOM 0 HB ILE A 197 18.910 6.207 1.698 1.00 0.47 H new ATOM 0 HG12 ILE A 197 16.702 5.640 0.886 1.00 0.60 H new ATOM 0 HG13 ILE A 197 17.894 5.294 -0.352 1.00 0.60 H new ATOM 0 HG21 ILE A 197 20.178 4.671 0.232 1.00 0.47 H new ATOM 0 HG22 ILE A 197 20.674 4.522 1.935 1.00 0.47 H new ATOM 0 HG23 ILE A 197 19.614 3.292 1.206 1.00 0.47 H new ATOM 0 HD11 ILE A 197 16.212 3.531 -0.238 1.00 0.62 H new ATOM 0 HD12 ILE A 197 17.812 2.899 0.218 1.00 0.62 H new ATOM 0 HD13 ILE A 197 16.602 3.250 1.475 1.00 0.62 H new ATOM 2211 N LYS A 198 18.551 6.861 4.107 1.00 0.47 N ATOM 2212 CA LYS A 198 19.175 7.788 5.045 1.00 0.49 C ATOM 2213 C LYS A 198 18.194 8.838 5.545 1.00 0.48 C ATOM 2214 O LYS A 198 17.027 8.845 5.149 1.00 0.49 O ATOM 2215 CB LYS A 198 20.427 8.447 4.435 1.00 0.59 C ATOM 2216 CG LYS A 198 20.344 8.731 2.937 1.00 0.75 C ATOM 2217 CD LYS A 198 20.230 10.220 2.621 1.00 0.94 C ATOM 2218 CE LYS A 198 18.835 10.757 2.890 1.00 0.98 C ATOM 2219 NZ LYS A 198 18.693 12.180 2.484 1.00 1.38 N ATOM 0 H LYS A 198 17.858 7.282 3.489 1.00 0.47 H new ATOM 0 HA LYS A 198 19.491 7.202 5.908 1.00 0.49 H new ATOM 0 HB2 LYS A 198 20.616 9.385 4.957 1.00 0.59 H new ATOM 0 HB3 LYS A 198 21.285 7.801 4.620 1.00 0.59 H new ATOM 0 HG2 LYS A 198 21.229 8.327 2.446 1.00 0.75 H new ATOM 0 HG3 LYS A 198 19.482 8.209 2.520 1.00 0.75 H new ATOM 0 HD2 LYS A 198 20.953 10.774 3.221 1.00 0.94 H new ATOM 0 HD3 LYS A 198 20.487 10.389 1.575 1.00 0.94 H new ATOM 0 HE2 LYS A 198 18.105 10.153 2.352 1.00 0.98 H new ATOM 0 HE3 LYS A 198 18.609 10.660 3.952 1.00 0.98 H new ATOM 0 HZ1 LYS A 198 18.169 12.699 3.217 1.00 1.38 H new ATOM 0 HZ2 LYS A 198 19.636 12.603 2.367 1.00 1.38 H new ATOM 0 HZ3 LYS A 198 18.175 12.234 1.584 1.00 1.38 H new ATOM 2233 N ASP A 199 18.702 9.724 6.404 1.00 0.52 N ATOM 2234 CA ASP A 199 17.902 10.750 7.078 1.00 0.56 C ATOM 2235 C ASP A 199 16.953 11.479 6.136 1.00 0.55 C ATOM 2236 O ASP A 199 17.366 12.086 5.146 1.00 0.67 O ATOM 2237 CB ASP A 199 18.831 11.747 7.770 1.00 0.67 C ATOM 2238 CG ASP A 199 18.105 12.936 8.365 1.00 1.56 C ATOM 2239 OD1 ASP A 199 17.346 12.754 9.337 1.00 2.23 O ATOM 2240 OD2 ASP A 199 18.326 14.068 7.887 1.00 2.13 O ATOM 0 H ASP A 199 19.690 9.750 6.654 1.00 0.52 H new ATOM 0 HA ASP A 199 17.278 10.243 7.814 1.00 0.56 H new ATOM 0 HB2 ASP A 199 19.379 11.233 8.560 1.00 0.67 H new ATOM 0 HB3 ASP A 199 19.568 12.104 7.051 1.00 0.67 H new ATOM 2245 N ILE A 200 15.677 11.411 6.467 1.00 0.52 N ATOM 2246 CA ILE A 200 14.635 12.016 5.653 1.00 0.55 C ATOM 2247 C ILE A 200 14.326 13.431 6.111 1.00 0.54 C ATOM 2248 O ILE A 200 14.118 13.683 7.299 1.00 0.57 O ATOM 2249 CB ILE A 200 13.330 11.180 5.681 1.00 0.63 C ATOM 2250 CG1 ILE A 200 13.506 9.885 4.892 1.00 0.69 C ATOM 2251 CG2 ILE A 200 12.150 11.975 5.127 1.00 0.80 C ATOM 2252 CD1 ILE A 200 13.859 10.109 3.438 1.00 0.88 C ATOM 0 H ILE A 200 15.333 10.938 7.303 1.00 0.52 H new ATOM 0 HA ILE A 200 15.017 12.044 4.632 1.00 0.55 H new ATOM 0 HB ILE A 200 13.116 10.935 6.721 1.00 0.63 H new ATOM 0 HG12 ILE A 200 14.288 9.287 5.360 1.00 0.69 H new ATOM 0 HG13 ILE A 200 12.584 9.306 4.949 1.00 0.69 H new ATOM 0 HG21 ILE A 200 11.250 11.361 5.160 1.00 0.80 H new ATOM 0 HG22 ILE A 200 12.000 12.871 5.729 1.00 0.80 H new ATOM 0 HG23 ILE A 200 12.356 12.261 4.096 1.00 0.80 H new ATOM 0 HD11 ILE A 200 13.969 9.147 2.938 1.00 0.88 H new ATOM 0 HD12 ILE A 200 13.066 10.680 2.955 1.00 0.88 H new ATOM 0 HD13 ILE A 200 14.796 10.661 3.372 1.00 0.88 H new ATOM 2264 N GLU A 201 14.301 14.344 5.154 1.00 0.55 N ATOM 2265 CA GLU A 201 13.842 15.698 5.400 1.00 0.57 C ATOM 2266 C GLU A 201 12.320 15.700 5.464 1.00 0.49 C ATOM 2267 O GLU A 201 11.661 15.270 4.517 1.00 0.55 O ATOM 2268 CB GLU A 201 14.311 16.631 4.280 1.00 0.68 C ATOM 2269 CG GLU A 201 15.815 16.844 4.240 1.00 0.81 C ATOM 2270 CD GLU A 201 16.309 17.710 5.378 1.00 1.29 C ATOM 2271 OE1 GLU A 201 16.407 18.938 5.199 1.00 1.51 O ATOM 2272 OE2 GLU A 201 16.593 17.166 6.465 1.00 2.06 O ATOM 0 H GLU A 201 14.596 14.168 4.193 1.00 0.55 H new ATOM 0 HA GLU A 201 14.256 16.053 6.344 1.00 0.57 H new ATOM 0 HB2 GLU A 201 13.987 16.223 3.322 1.00 0.68 H new ATOM 0 HB3 GLU A 201 13.821 17.597 4.397 1.00 0.68 H new ATOM 0 HG2 GLU A 201 16.317 15.877 4.280 1.00 0.81 H new ATOM 0 HG3 GLU A 201 16.088 17.306 3.291 1.00 0.81 H new ATOM 2279 N PRO A 202 11.735 16.145 6.584 1.00 0.43 N ATOM 2280 CA PRO A 202 10.282 16.232 6.717 1.00 0.43 C ATOM 2281 C PRO A 202 9.672 17.039 5.577 1.00 0.45 C ATOM 2282 O PRO A 202 9.933 18.238 5.437 1.00 0.51 O ATOM 2283 CB PRO A 202 10.082 16.943 8.058 1.00 0.49 C ATOM 2284 CG PRO A 202 11.331 16.667 8.824 1.00 0.49 C ATOM 2285 CD PRO A 202 12.433 16.588 7.803 1.00 0.45 C ATOM 0 HA PRO A 202 9.798 15.256 6.678 1.00 0.43 H new ATOM 0 HB2 PRO A 202 9.931 18.014 7.920 1.00 0.49 H new ATOM 0 HB3 PRO A 202 9.205 16.562 8.581 1.00 0.49 H new ATOM 0 HG2 PRO A 202 11.527 17.457 9.549 1.00 0.49 H new ATOM 0 HG3 PRO A 202 11.249 15.735 9.382 1.00 0.49 H new ATOM 0 HD2 PRO A 202 12.919 17.553 7.660 1.00 0.45 H new ATOM 0 HD3 PRO A 202 13.208 15.882 8.102 1.00 0.45 H new ATOM 2293 N GLY A 203 8.888 16.372 4.743 1.00 0.44 N ATOM 2294 CA GLY A 203 8.284 17.038 3.609 1.00 0.52 C ATOM 2295 C GLY A 203 8.643 16.405 2.275 1.00 0.54 C ATOM 2296 O GLY A 203 8.203 16.880 1.229 1.00 0.70 O ATOM 0 H GLY A 203 8.660 15.382 4.832 1.00 0.44 H new ATOM 0 HA2 GLY A 203 7.200 17.029 3.727 1.00 0.52 H new ATOM 0 HA3 GLY A 203 8.595 18.083 3.602 1.00 0.52 H new ATOM 2300 N GLU A 204 9.455 15.350 2.294 1.00 0.48 N ATOM 2301 CA GLU A 204 9.764 14.621 1.066 1.00 0.51 C ATOM 2302 C GLU A 204 9.642 13.113 1.275 1.00 0.39 C ATOM 2303 O GLU A 204 10.267 12.538 2.168 1.00 0.40 O ATOM 2304 CB GLU A 204 11.163 14.984 0.544 1.00 0.65 C ATOM 2305 CG GLU A 204 12.287 14.788 1.551 1.00 0.71 C ATOM 2306 CD GLU A 204 13.649 15.095 0.964 1.00 0.99 C ATOM 2307 OE1 GLU A 204 14.524 14.202 0.962 1.00 1.16 O ATOM 2308 OE2 GLU A 204 13.852 16.232 0.485 1.00 1.27 O ATOM 0 H GLU A 204 9.905 14.985 3.133 1.00 0.48 H new ATOM 0 HA GLU A 204 9.034 14.919 0.314 1.00 0.51 H new ATOM 0 HB2 GLU A 204 11.375 14.380 -0.339 1.00 0.65 H new ATOM 0 HB3 GLU A 204 11.158 16.026 0.224 1.00 0.65 H new ATOM 0 HG2 GLU A 204 12.114 15.430 2.414 1.00 0.71 H new ATOM 0 HG3 GLU A 204 12.273 13.759 1.911 1.00 0.71 H new ATOM 2315 N GLU A 205 8.807 12.486 0.463 1.00 0.47 N ATOM 2316 CA GLU A 205 8.597 11.045 0.519 1.00 0.51 C ATOM 2317 C GLU A 205 9.182 10.341 -0.700 1.00 0.43 C ATOM 2318 O GLU A 205 8.545 10.262 -1.749 1.00 0.49 O ATOM 2319 CB GLU A 205 7.106 10.712 0.634 1.00 0.80 C ATOM 2320 CG GLU A 205 6.159 11.824 0.182 1.00 1.49 C ATOM 2321 CD GLU A 205 6.328 12.212 -1.274 1.00 2.41 C ATOM 2322 OE1 GLU A 205 7.106 13.141 -1.562 1.00 2.84 O ATOM 2323 OE2 GLU A 205 5.671 11.585 -2.134 1.00 2.92 O ATOM 0 H GLU A 205 8.256 12.959 -0.253 1.00 0.47 H new ATOM 0 HA GLU A 205 9.116 10.684 1.407 1.00 0.51 H new ATOM 0 HB2 GLU A 205 6.902 9.819 0.043 1.00 0.80 H new ATOM 0 HB3 GLU A 205 6.883 10.465 1.672 1.00 0.80 H new ATOM 0 HG2 GLU A 205 5.130 11.503 0.347 1.00 1.49 H new ATOM 0 HG3 GLU A 205 6.322 12.704 0.805 1.00 1.49 H new ATOM 2330 N LEU A 206 10.388 9.819 -0.579 1.00 0.37 N ATOM 2331 CA LEU A 206 10.956 9.051 -1.673 1.00 0.36 C ATOM 2332 C LEU A 206 11.096 7.588 -1.259 1.00 0.36 C ATOM 2333 O LEU A 206 12.061 7.224 -0.598 1.00 0.39 O ATOM 2334 CB LEU A 206 12.336 9.603 -2.082 1.00 0.41 C ATOM 2335 CG LEU A 206 12.420 11.098 -2.430 1.00 0.44 C ATOM 2336 CD1 LEU A 206 11.249 11.529 -3.299 1.00 0.90 C ATOM 2337 CD2 LEU A 206 12.510 11.947 -1.169 1.00 0.84 C ATOM 0 H LEU A 206 10.982 9.908 0.245 1.00 0.37 H new ATOM 0 HA LEU A 206 10.285 9.131 -2.528 1.00 0.36 H new ATOM 0 HB2 LEU A 206 13.033 9.406 -1.268 1.00 0.41 H new ATOM 0 HB3 LEU A 206 12.685 9.035 -2.945 1.00 0.41 H new ATOM 0 HG LEU A 206 13.332 11.255 -3.005 1.00 0.44 H new ATOM 0 HD11 LEU A 206 11.337 12.591 -3.528 1.00 0.90 H new ATOM 0 HD12 LEU A 206 11.254 10.956 -4.226 1.00 0.90 H new ATOM 0 HD13 LEU A 206 10.315 11.349 -2.767 1.00 0.90 H new ATOM 0 HD21 LEU A 206 12.568 13.000 -1.443 1.00 0.84 H new ATOM 0 HD22 LEU A 206 11.625 11.780 -0.554 1.00 0.84 H new ATOM 0 HD23 LEU A 206 13.401 11.669 -0.606 1.00 0.84 H new ATOM 2349 N LEU A 207 10.140 6.755 -1.673 1.00 0.37 N ATOM 2350 CA LEU A 207 10.169 5.315 -1.388 1.00 0.40 C ATOM 2351 C LEU A 207 9.567 4.525 -2.557 1.00 0.43 C ATOM 2352 O LEU A 207 8.382 4.644 -2.838 1.00 0.53 O ATOM 2353 CB LEU A 207 9.396 4.992 -0.095 1.00 0.43 C ATOM 2354 CG LEU A 207 10.132 5.208 1.241 1.00 0.45 C ATOM 2355 CD1 LEU A 207 11.591 4.774 1.155 1.00 0.49 C ATOM 2356 CD2 LEU A 207 10.012 6.652 1.705 1.00 0.44 C ATOM 0 H LEU A 207 9.328 7.054 -2.212 1.00 0.37 H new ATOM 0 HA LEU A 207 11.211 5.023 -1.255 1.00 0.40 H new ATOM 0 HB2 LEU A 207 8.490 5.598 -0.083 1.00 0.43 H new ATOM 0 HB3 LEU A 207 9.081 3.950 -0.142 1.00 0.43 H new ATOM 0 HG LEU A 207 9.649 4.576 1.987 1.00 0.45 H new ATOM 0 HD11 LEU A 207 12.078 4.941 2.116 1.00 0.49 H new ATOM 0 HD12 LEU A 207 11.641 3.715 0.902 1.00 0.49 H new ATOM 0 HD13 LEU A 207 12.099 5.355 0.385 1.00 0.49 H new ATOM 0 HD21 LEU A 207 10.541 6.776 2.650 1.00 0.44 H new ATOM 0 HD22 LEU A 207 10.449 7.312 0.956 1.00 0.44 H new ATOM 0 HD23 LEU A 207 8.960 6.904 1.842 1.00 0.44 H new ATOM 2368 N VAL A 208 10.382 3.730 -3.238 1.00 0.43 N ATOM 2369 CA VAL A 208 9.913 2.953 -4.380 1.00 0.50 C ATOM 2370 C VAL A 208 10.810 1.737 -4.592 1.00 0.57 C ATOM 2371 O VAL A 208 11.937 1.698 -4.097 1.00 0.59 O ATOM 2372 CB VAL A 208 9.884 3.798 -5.676 1.00 0.48 C ATOM 2373 CG1 VAL A 208 11.282 3.973 -6.241 1.00 0.91 C ATOM 2374 CG2 VAL A 208 8.952 3.183 -6.709 1.00 0.88 C ATOM 0 H VAL A 208 11.371 3.606 -3.020 1.00 0.43 H new ATOM 0 HA VAL A 208 8.895 2.631 -4.159 1.00 0.50 H new ATOM 0 HB VAL A 208 9.497 4.785 -5.423 1.00 0.48 H new ATOM 0 HG11 VAL A 208 11.234 4.570 -7.151 1.00 0.91 H new ATOM 0 HG12 VAL A 208 11.910 4.479 -5.508 1.00 0.91 H new ATOM 0 HG13 VAL A 208 11.707 2.996 -6.470 1.00 0.91 H new ATOM 0 HG21 VAL A 208 8.951 3.797 -7.609 1.00 0.88 H new ATOM 0 HG22 VAL A 208 9.295 2.178 -6.956 1.00 0.88 H new ATOM 0 HG23 VAL A 208 7.942 3.132 -6.303 1.00 0.88 H new ATOM 2384 N HIS A 209 10.303 0.748 -5.307 1.00 0.69 N ATOM 2385 CA HIS A 209 11.125 -0.353 -5.760 1.00 0.82 C ATOM 2386 C HIS A 209 11.626 -0.022 -7.152 1.00 0.94 C ATOM 2387 O HIS A 209 10.844 0.014 -8.105 1.00 1.09 O ATOM 2388 CB HIS A 209 10.329 -1.663 -5.787 1.00 1.02 C ATOM 2389 CG HIS A 209 11.133 -2.846 -6.243 1.00 1.20 C ATOM 2390 ND1 HIS A 209 11.187 -3.208 -7.569 1.00 1.42 N ATOM 2391 CD2 HIS A 209 11.888 -3.709 -5.520 1.00 1.41 C ATOM 2392 CE1 HIS A 209 11.972 -4.271 -7.620 1.00 1.54 C ATOM 2393 NE2 HIS A 209 12.419 -4.608 -6.404 1.00 1.55 N ATOM 0 H HIS A 209 9.324 0.688 -5.585 1.00 0.69 H new ATOM 0 HA HIS A 209 11.960 -0.491 -5.073 1.00 0.82 H new ATOM 0 HB2 HIS A 209 9.939 -1.862 -4.789 1.00 1.02 H new ATOM 0 HB3 HIS A 209 9.469 -1.543 -6.446 1.00 1.02 H new ATOM 0 HD2 HIS A 209 12.041 -3.690 -4.451 1.00 1.41 H new ATOM 0 HE1 HIS A 209 12.221 -4.800 -8.528 1.00 1.54 H new ATOM 0 HE2 HIS A 209 13.038 -5.387 -6.179 1.00 1.55 H new ATOM 2401 N VAL A 210 12.912 0.238 -7.266 1.00 1.14 N ATOM 2402 CA VAL A 210 13.496 0.564 -8.550 1.00 1.45 C ATOM 2403 C VAL A 210 13.570 -0.682 -9.427 1.00 1.58 C ATOM 2404 O VAL A 210 14.241 -1.660 -9.093 1.00 1.82 O ATOM 2405 CB VAL A 210 14.882 1.221 -8.400 1.00 1.92 C ATOM 2406 CG1 VAL A 210 14.745 2.627 -7.835 1.00 2.56 C ATOM 2407 CG2 VAL A 210 15.801 0.388 -7.517 1.00 2.44 C ATOM 0 H VAL A 210 13.571 0.230 -6.487 1.00 1.14 H new ATOM 0 HA VAL A 210 12.850 1.295 -9.036 1.00 1.45 H new ATOM 0 HB VAL A 210 15.330 1.278 -9.392 1.00 1.92 H new ATOM 0 HG11 VAL A 210 15.733 3.077 -7.735 1.00 2.56 H new ATOM 0 HG12 VAL A 210 14.137 3.232 -8.508 1.00 2.56 H new ATOM 0 HG13 VAL A 210 14.267 2.581 -6.857 1.00 2.56 H new ATOM 0 HG21 VAL A 210 16.770 0.881 -7.433 1.00 2.44 H new ATOM 0 HG22 VAL A 210 15.359 0.286 -6.526 1.00 2.44 H new ATOM 0 HG23 VAL A 210 15.933 -0.599 -7.959 1.00 2.44 H new