USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=18 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 185 MET CE :methyl -166:sc= -0.192 (180deg=-0.624) USER MOD Set 1.2: A 194 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 44:sc= 1.15 USER MOD Single : A 90 SER OG : rot 45:sc= 0.151 USER MOD Single : A 101 LYS NZ :NH3+ -173:sc= 0.73 (180deg=0.598) USER MOD Single : A 103 LYS NZ :NH3+ -151:sc= 3.22 (180deg=0.707!) USER MOD Single : A 104 MET CE :methyl -142:sc= -5.44! (180deg=-6.62!) USER MOD Single : A 113 CYS SG : rot 100:sc= -1.82! USER MOD Single : A 167 SER OG : rot 180:sc= 0.0544 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 TYR OH : rot 180:sc= 0 USER MOD Single : A 176 CYS SG : rot 180:sc= -0.236 USER MOD Single : A 177 SER OG : rot 180:sc= 0 USER MOD Single : A 178 CYS SG : rot 180:sc= 0 USER MOD Single : A 181 GLN : amide:sc= -2.44! C(o=-2.4!,f=-6.6!) USER MOD Single : A 182 ASN : amide:sc= -6.27! C(o=-6.3!,f=-11!) USER MOD Single : A 184 THR OG1 : rot 0:sc= 0.42 USER MOD Single : A 186 CYS SG : rot 180:sc= -0.803 USER MOD Single : A 187 GLN : amide:sc= -0.235 X(o=-0.24,f=-0.056) USER MOD Single : A 189 SER OG : rot 180:sc= 0 USER MOD Single : A 191 GLN : amide:sc= -0.958 X(o=-0.96,f=-0.86) USER MOD Single : A 193 TYR OH : rot 180:sc= 0 USER MOD Single : A 195 LYS NZ :NH3+ -162:sc= -0.0635 (180deg=-0.369) USER MOD Single : A 198 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 209 HIS : no HD1:sc=-0.00799 X(o=-0.008,f=0) USER MOD ----------------------------------------------------------------- ATOM 388 N ILE A 78 -7.705 5.334 5.130 1.00 1.90 N ATOM 389 CA ILE A 78 -6.542 4.470 5.142 1.00 1.74 C ATOM 390 C ILE A 78 -5.654 4.830 6.328 1.00 1.48 C ATOM 391 O ILE A 78 -5.043 5.900 6.349 1.00 1.42 O ATOM 392 CB ILE A 78 -5.739 4.596 3.832 1.00 1.86 C ATOM 393 CG1 ILE A 78 -6.636 4.283 2.628 1.00 2.18 C ATOM 394 CG2 ILE A 78 -4.532 3.666 3.855 1.00 1.84 C ATOM 395 CD1 ILE A 78 -5.952 4.473 1.289 1.00 2.45 C ATOM 0 HA ILE A 78 -6.881 3.438 5.232 1.00 1.74 H new ATOM 0 HB ILE A 78 -5.380 5.621 3.741 1.00 1.86 H new ATOM 0 HG12 ILE A 78 -6.984 3.253 2.704 1.00 2.18 H new ATOM 0 HG13 ILE A 78 -7.518 4.922 2.668 1.00 2.18 H new ATOM 0 HG21 ILE A 78 -3.976 3.768 2.923 1.00 1.84 H new ATOM 0 HG22 ILE A 78 -3.886 3.929 4.693 1.00 1.84 H new ATOM 0 HG23 ILE A 78 -4.869 2.635 3.966 1.00 1.84 H new ATOM 0 HD11 ILE A 78 -6.650 4.232 0.487 1.00 2.45 H new ATOM 0 HD12 ILE A 78 -5.628 5.509 1.190 1.00 2.45 H new ATOM 0 HD13 ILE A 78 -5.086 3.814 1.226 1.00 2.45 H new ATOM 407 N PRO A 79 -5.609 3.959 7.347 1.00 1.44 N ATOM 408 CA PRO A 79 -4.801 4.184 8.549 1.00 1.27 C ATOM 409 C PRO A 79 -3.313 4.291 8.233 1.00 1.11 C ATOM 410 O PRO A 79 -2.712 3.364 7.689 1.00 1.23 O ATOM 411 CB PRO A 79 -5.073 2.950 9.416 1.00 1.50 C ATOM 412 CG PRO A 79 -6.325 2.353 8.872 1.00 1.75 C ATOM 413 CD PRO A 79 -6.350 2.692 7.410 1.00 1.70 C ATOM 0 HA PRO A 79 -5.062 5.123 9.037 1.00 1.27 H new ATOM 0 HB2 PRO A 79 -4.245 2.243 9.364 1.00 1.50 H new ATOM 0 HB3 PRO A 79 -5.192 3.225 10.464 1.00 1.50 H new ATOM 0 HG2 PRO A 79 -6.338 1.273 9.021 1.00 1.75 H new ATOM 0 HG3 PRO A 79 -7.201 2.756 9.380 1.00 1.75 H new ATOM 0 HD2 PRO A 79 -5.875 1.917 6.809 1.00 1.70 H new ATOM 0 HD3 PRO A 79 -7.369 2.803 7.040 1.00 1.70 H new ATOM 421 N ILE A 80 -2.733 5.434 8.561 1.00 0.93 N ATOM 422 CA ILE A 80 -1.316 5.659 8.348 1.00 0.82 C ATOM 423 C ILE A 80 -0.666 6.117 9.650 1.00 0.72 C ATOM 424 O ILE A 80 -1.293 6.827 10.443 1.00 0.74 O ATOM 425 CB ILE A 80 -1.038 6.716 7.241 1.00 0.86 C ATOM 426 CG1 ILE A 80 -1.487 8.121 7.675 1.00 0.89 C ATOM 427 CG2 ILE A 80 -1.728 6.327 5.943 1.00 1.01 C ATOM 428 CD1 ILE A 80 -2.984 8.356 7.598 1.00 0.99 C ATOM 0 H ILE A 80 -3.226 6.223 8.978 1.00 0.93 H new ATOM 0 HA ILE A 80 -0.889 4.713 8.017 1.00 0.82 H new ATOM 0 HB ILE A 80 0.039 6.741 7.078 1.00 0.86 H new ATOM 0 HG12 ILE A 80 -1.157 8.293 8.700 1.00 0.89 H new ATOM 0 HG13 ILE A 80 -0.984 8.859 7.050 1.00 0.89 H new ATOM 0 HG21 ILE A 80 -1.521 7.079 5.182 1.00 1.01 H new ATOM 0 HG22 ILE A 80 -1.354 5.359 5.608 1.00 1.01 H new ATOM 0 HG23 ILE A 80 -2.804 6.263 6.108 1.00 1.01 H new ATOM 0 HD11 ILE A 80 -3.210 9.372 7.922 1.00 0.99 H new ATOM 0 HD12 ILE A 80 -3.321 8.219 6.571 1.00 0.99 H new ATOM 0 HD13 ILE A 80 -3.498 7.646 8.246 1.00 0.99 H new ATOM 440 N PRO A 81 0.583 5.692 9.903 1.00 0.68 N ATOM 441 CA PRO A 81 1.347 6.139 11.070 1.00 0.67 C ATOM 442 C PRO A 81 1.477 7.657 11.103 1.00 0.64 C ATOM 443 O PRO A 81 1.611 8.295 10.060 1.00 0.61 O ATOM 444 CB PRO A 81 2.719 5.487 10.876 1.00 0.69 C ATOM 445 CG PRO A 81 2.468 4.322 9.982 1.00 0.71 C ATOM 446 CD PRO A 81 1.338 4.731 9.081 1.00 0.73 C ATOM 0 HA PRO A 81 0.868 5.863 12.009 1.00 0.67 H new ATOM 0 HB2 PRO A 81 3.427 6.184 10.427 1.00 0.69 H new ATOM 0 HB3 PRO A 81 3.144 5.170 11.828 1.00 0.69 H new ATOM 0 HG2 PRO A 81 3.358 4.074 9.404 1.00 0.71 H new ATOM 0 HG3 PRO A 81 2.206 3.436 10.560 1.00 0.71 H new ATOM 0 HD2 PRO A 81 1.702 5.187 8.160 1.00 0.73 H new ATOM 0 HD3 PRO A 81 0.724 3.878 8.793 1.00 0.73 H new ATOM 454 N ALA A 82 1.458 8.220 12.310 1.00 0.75 N ATOM 455 CA ALA A 82 1.434 9.673 12.510 1.00 0.80 C ATOM 456 C ALA A 82 2.652 10.373 11.911 1.00 0.71 C ATOM 457 O ALA A 82 2.676 11.599 11.792 1.00 0.78 O ATOM 458 CB ALA A 82 1.337 9.989 13.994 1.00 1.04 C ATOM 0 H ALA A 82 1.459 7.684 13.178 1.00 0.75 H new ATOM 0 HA ALA A 82 0.556 10.052 11.986 1.00 0.80 H new ATOM 0 HB1 ALA A 82 1.320 11.070 14.136 1.00 1.04 H new ATOM 0 HB2 ALA A 82 0.423 9.555 14.399 1.00 1.04 H new ATOM 0 HB3 ALA A 82 2.199 9.569 14.513 1.00 1.04 H new ATOM 464 N ASP A 83 3.659 9.599 11.533 1.00 0.67 N ATOM 465 CA ASP A 83 4.871 10.153 10.946 1.00 0.70 C ATOM 466 C ASP A 83 4.670 10.453 9.461 1.00 0.55 C ATOM 467 O ASP A 83 5.494 11.123 8.832 1.00 0.60 O ATOM 468 CB ASP A 83 6.044 9.189 11.139 1.00 0.88 C ATOM 469 CG ASP A 83 6.406 9.003 12.599 1.00 1.05 C ATOM 470 OD1 ASP A 83 6.629 10.013 13.296 1.00 1.39 O ATOM 471 OD2 ASP A 83 6.467 7.843 13.059 1.00 1.66 O ATOM 0 H ASP A 83 3.661 8.583 11.623 1.00 0.67 H new ATOM 0 HA ASP A 83 5.098 11.090 11.455 1.00 0.70 H new ATOM 0 HB2 ASP A 83 5.791 8.222 10.704 1.00 0.88 H new ATOM 0 HB3 ASP A 83 6.912 9.565 10.597 1.00 0.88 H new ATOM 476 N PHE A 84 3.566 9.965 8.910 1.00 0.45 N ATOM 477 CA PHE A 84 3.229 10.197 7.511 1.00 0.41 C ATOM 478 C PHE A 84 1.766 10.602 7.417 1.00 0.40 C ATOM 479 O PHE A 84 1.016 10.437 8.378 1.00 0.56 O ATOM 480 CB PHE A 84 3.461 8.932 6.665 1.00 0.42 C ATOM 481 CG PHE A 84 4.620 8.089 7.122 1.00 0.56 C ATOM 482 CD1 PHE A 84 4.433 7.055 8.021 1.00 0.66 C ATOM 483 CD2 PHE A 84 5.897 8.332 6.644 1.00 0.79 C ATOM 484 CE1 PHE A 84 5.497 6.276 8.435 1.00 0.87 C ATOM 485 CE2 PHE A 84 6.965 7.559 7.054 1.00 0.98 C ATOM 486 CZ PHE A 84 6.756 6.534 7.981 1.00 1.00 C ATOM 0 H PHE A 84 2.883 9.401 9.416 1.00 0.45 H new ATOM 0 HA PHE A 84 3.871 10.989 7.125 1.00 0.41 H new ATOM 0 HB2 PHE A 84 2.556 8.325 6.683 1.00 0.42 H new ATOM 0 HB3 PHE A 84 3.627 9.227 5.629 1.00 0.42 H new ATOM 0 HD1 PHE A 84 3.444 6.854 8.404 1.00 0.66 H new ATOM 0 HD2 PHE A 84 6.059 9.136 5.942 1.00 0.79 H new ATOM 0 HE1 PHE A 84 5.330 5.459 9.121 1.00 0.87 H new ATOM 0 HE2 PHE A 84 7.954 7.745 6.662 1.00 0.98 H new ATOM 0 HZ PHE A 84 7.590 5.948 8.337 1.00 1.00 H new ATOM 496 N GLU A 85 1.353 11.142 6.282 1.00 0.39 N ATOM 497 CA GLU A 85 -0.054 11.432 6.065 1.00 0.44 C ATOM 498 C GLU A 85 -0.371 11.470 4.579 1.00 0.39 C ATOM 499 O GLU A 85 0.462 11.866 3.765 1.00 0.40 O ATOM 500 CB GLU A 85 -0.468 12.747 6.732 1.00 0.61 C ATOM 501 CG GLU A 85 0.182 13.983 6.141 1.00 1.15 C ATOM 502 CD GLU A 85 -0.457 15.256 6.649 1.00 1.60 C ATOM 503 OE1 GLU A 85 0.133 15.928 7.518 1.00 1.88 O ATOM 504 OE2 GLU A 85 -1.560 15.592 6.174 1.00 2.27 O ATOM 0 H GLU A 85 1.965 11.386 5.504 1.00 0.39 H new ATOM 0 HA GLU A 85 -0.629 10.629 6.526 1.00 0.44 H new ATOM 0 HB2 GLU A 85 -1.551 12.851 6.660 1.00 0.61 H new ATOM 0 HB3 GLU A 85 -0.223 12.695 7.793 1.00 0.61 H new ATOM 0 HG2 GLU A 85 1.244 13.987 6.387 1.00 1.15 H new ATOM 0 HG3 GLU A 85 0.107 13.948 5.054 1.00 1.15 H new ATOM 511 N LEU A 86 -1.578 11.054 4.236 1.00 0.41 N ATOM 512 CA LEU A 86 -1.986 10.952 2.846 1.00 0.43 C ATOM 513 C LEU A 86 -2.658 12.235 2.396 1.00 0.44 C ATOM 514 O LEU A 86 -3.543 12.760 3.072 1.00 0.48 O ATOM 515 CB LEU A 86 -2.923 9.757 2.668 1.00 0.52 C ATOM 516 CG LEU A 86 -3.179 9.295 1.227 1.00 0.59 C ATOM 517 CD1 LEU A 86 -3.694 7.870 1.231 1.00 0.79 C ATOM 518 CD2 LEU A 86 -4.181 10.195 0.518 1.00 0.70 C ATOM 0 H LEU A 86 -2.296 10.780 4.906 1.00 0.41 H new ATOM 0 HA LEU A 86 -1.103 10.799 2.226 1.00 0.43 H new ATOM 0 HB2 LEU A 86 -2.513 8.916 3.228 1.00 0.52 H new ATOM 0 HB3 LEU A 86 -3.882 10.005 3.122 1.00 0.52 H new ATOM 0 HG LEU A 86 -2.234 9.350 0.686 1.00 0.59 H new ATOM 0 HD11 LEU A 86 -3.875 7.546 0.206 1.00 0.79 H new ATOM 0 HD12 LEU A 86 -2.954 7.217 1.693 1.00 0.79 H new ATOM 0 HD13 LEU A 86 -4.625 7.821 1.796 1.00 0.79 H new ATOM 0 HD21 LEU A 86 -4.336 9.836 -0.499 1.00 0.70 H new ATOM 0 HD22 LEU A 86 -5.128 10.180 1.057 1.00 0.70 H new ATOM 0 HD23 LEU A 86 -3.797 11.215 0.488 1.00 0.70 H new ATOM 530 N ARG A 87 -2.237 12.720 1.247 1.00 0.47 N ATOM 531 CA ARG A 87 -2.759 13.952 0.692 1.00 0.55 C ATOM 532 C ARG A 87 -2.836 13.844 -0.819 1.00 0.61 C ATOM 533 O ARG A 87 -1.933 13.295 -1.453 1.00 0.66 O ATOM 534 CB ARG A 87 -1.862 15.130 1.059 1.00 0.62 C ATOM 535 CG ARG A 87 -1.894 15.534 2.522 1.00 0.69 C ATOM 536 CD ARG A 87 -1.237 16.890 2.721 1.00 1.04 C ATOM 537 NE ARG A 87 -0.848 17.126 4.106 1.00 1.63 N ATOM 538 CZ ARG A 87 -0.082 18.142 4.501 1.00 2.32 C ATOM 539 NH1 ARG A 87 0.297 19.067 3.627 1.00 2.62 N ATOM 540 NH2 ARG A 87 0.296 18.232 5.769 1.00 3.21 N ATOM 0 H ARG A 87 -1.524 12.272 0.671 1.00 0.47 H new ATOM 0 HA ARG A 87 -3.754 14.118 1.105 1.00 0.55 H new ATOM 0 HB2 ARG A 87 -0.835 14.882 0.789 1.00 0.62 H new ATOM 0 HB3 ARG A 87 -2.152 15.989 0.455 1.00 0.62 H new ATOM 0 HG2 ARG A 87 -2.926 15.570 2.872 1.00 0.69 H new ATOM 0 HG3 ARG A 87 -1.380 14.784 3.123 1.00 0.69 H new ATOM 0 HD2 ARG A 87 -0.356 16.960 2.083 1.00 1.04 H new ATOM 0 HD3 ARG A 87 -1.925 17.673 2.402 1.00 1.04 H new ATOM 0 HE ARG A 87 -1.182 16.474 4.815 1.00 1.63 H new ATOM 0 HH11 ARG A 87 0.002 19.000 2.653 1.00 2.62 H new ATOM 0 HH12 ARG A 87 0.883 19.845 3.930 1.00 2.62 H new ATOM 0 HH21 ARG A 87 0.000 17.524 6.441 1.00 3.21 H new ATOM 0 HH22 ARG A 87 0.882 19.009 6.072 1.00 3.21 H new ATOM 554 N GLU A 88 -3.911 14.348 -1.394 1.00 0.73 N ATOM 555 CA GLU A 88 -4.022 14.401 -2.836 1.00 0.84 C ATOM 556 C GLU A 88 -3.280 15.620 -3.353 1.00 0.87 C ATOM 557 O GLU A 88 -3.670 16.760 -3.085 1.00 0.98 O ATOM 558 CB GLU A 88 -5.484 14.434 -3.287 1.00 1.06 C ATOM 559 CG GLU A 88 -6.267 13.184 -2.920 1.00 1.61 C ATOM 560 CD GLU A 88 -6.887 13.258 -1.540 1.00 1.96 C ATOM 561 OE1 GLU A 88 -8.099 13.536 -1.448 1.00 2.46 O ATOM 562 OE2 GLU A 88 -6.175 13.040 -0.538 1.00 2.21 O ATOM 0 H GLU A 88 -4.713 14.723 -0.888 1.00 0.73 H new ATOM 0 HA GLU A 88 -3.575 13.497 -3.250 1.00 0.84 H new ATOM 0 HB2 GLU A 88 -5.972 15.301 -2.842 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -5.518 14.569 -4.368 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -7.054 13.025 -3.658 1.00 1.61 H new ATOM 0 HG3 GLU A 88 -5.605 12.320 -2.969 1.00 1.61 H new ATOM 569 N SER A 89 -2.204 15.371 -4.073 1.00 0.85 N ATOM 570 CA SER A 89 -1.362 16.429 -4.598 1.00 0.95 C ATOM 571 C SER A 89 -0.374 15.851 -5.596 1.00 0.90 C ATOM 572 O SER A 89 0.717 15.417 -5.224 1.00 1.11 O ATOM 573 CB SER A 89 -0.619 17.132 -3.456 1.00 1.03 C ATOM 574 OG SER A 89 0.001 16.186 -2.594 1.00 1.58 O ATOM 0 H SER A 89 -1.889 14.431 -4.311 1.00 0.85 H new ATOM 0 HA SER A 89 -1.988 17.164 -5.105 1.00 0.95 H new ATOM 0 HB2 SER A 89 0.135 17.804 -3.867 1.00 1.03 H new ATOM 0 HB3 SER A 89 -1.317 17.746 -2.887 1.00 1.03 H new ATOM 0 HG SER A 89 0.445 15.497 -3.130 1.00 1.58 H new ATOM 580 N SER A 90 -0.769 15.814 -6.857 1.00 0.86 N ATOM 581 CA SER A 90 0.079 15.274 -7.900 1.00 0.88 C ATOM 582 C SER A 90 1.267 16.191 -8.158 1.00 0.87 C ATOM 583 O SER A 90 1.128 17.269 -8.738 1.00 1.02 O ATOM 584 CB SER A 90 -0.733 15.067 -9.177 1.00 1.13 C ATOM 585 OG SER A 90 -1.513 16.213 -9.476 1.00 1.86 O ATOM 0 H SER A 90 -1.675 16.153 -7.182 1.00 0.86 H new ATOM 0 HA SER A 90 0.466 14.309 -7.572 1.00 0.88 H new ATOM 0 HB2 SER A 90 -0.061 14.853 -10.008 1.00 1.13 H new ATOM 0 HB3 SER A 90 -1.384 14.200 -9.062 1.00 1.13 H new ATOM 0 HG SER A 90 -0.965 17.018 -9.370 1.00 1.86 H new ATOM 591 N ILE A 91 2.431 15.776 -7.692 1.00 0.86 N ATOM 592 CA ILE A 91 3.650 16.513 -7.964 1.00 1.01 C ATOM 593 C ILE A 91 4.206 16.070 -9.319 1.00 1.09 C ATOM 594 O ILE A 91 4.418 14.877 -9.549 1.00 1.08 O ATOM 595 CB ILE A 91 4.687 16.340 -6.815 1.00 1.10 C ATOM 596 CG1 ILE A 91 6.062 16.950 -7.164 1.00 1.35 C ATOM 597 CG2 ILE A 91 4.822 14.879 -6.422 1.00 1.07 C ATOM 598 CD1 ILE A 91 7.013 16.018 -7.896 1.00 1.45 C ATOM 0 H ILE A 91 2.557 14.937 -7.126 1.00 0.86 H new ATOM 0 HA ILE A 91 3.429 17.579 -8.011 1.00 1.01 H new ATOM 0 HB ILE A 91 4.306 16.894 -5.957 1.00 1.10 H new ATOM 0 HG12 ILE A 91 5.904 17.837 -7.777 1.00 1.35 H new ATOM 0 HG13 ILE A 91 6.540 17.281 -6.242 1.00 1.35 H new ATOM 0 HG21 ILE A 91 5.552 14.784 -5.618 1.00 1.07 H new ATOM 0 HG22 ILE A 91 3.857 14.503 -6.082 1.00 1.07 H new ATOM 0 HG23 ILE A 91 5.154 14.300 -7.283 1.00 1.07 H new ATOM 0 HD11 ILE A 91 7.950 16.538 -8.096 1.00 1.45 H new ATOM 0 HD12 ILE A 91 7.209 15.141 -7.279 1.00 1.45 H new ATOM 0 HD13 ILE A 91 6.563 15.706 -8.838 1.00 1.45 H new ATOM 610 N PRO A 92 4.407 17.028 -10.243 1.00 1.24 N ATOM 611 CA PRO A 92 4.826 16.743 -11.622 1.00 1.37 C ATOM 612 C PRO A 92 6.091 15.898 -11.690 1.00 1.47 C ATOM 613 O PRO A 92 7.143 16.290 -11.186 1.00 1.61 O ATOM 614 CB PRO A 92 5.078 18.128 -12.231 1.00 1.58 C ATOM 615 CG PRO A 92 5.133 19.066 -11.074 1.00 1.59 C ATOM 616 CD PRO A 92 4.247 18.470 -10.021 1.00 1.37 C ATOM 0 HA PRO A 92 4.069 16.165 -12.152 1.00 1.37 H new ATOM 0 HB2 PRO A 92 6.010 18.145 -12.795 1.00 1.58 H new ATOM 0 HB3 PRO A 92 4.282 18.404 -12.923 1.00 1.58 H new ATOM 0 HG2 PRO A 92 6.154 19.177 -10.709 1.00 1.59 H new ATOM 0 HG3 PRO A 92 4.787 20.059 -11.359 1.00 1.59 H new ATOM 0 HD2 PRO A 92 4.557 18.762 -9.018 1.00 1.37 H new ATOM 0 HD3 PRO A 92 3.210 18.785 -10.138 1.00 1.37 H new ATOM 624 N GLY A 93 5.973 14.736 -12.313 1.00 1.47 N ATOM 625 CA GLY A 93 7.106 13.846 -12.431 1.00 1.62 C ATOM 626 C GLY A 93 7.022 12.685 -11.468 1.00 1.58 C ATOM 627 O GLY A 93 7.788 11.730 -11.572 1.00 1.74 O ATOM 0 H GLY A 93 5.112 14.394 -12.739 1.00 1.47 H new ATOM 0 HA2 GLY A 93 7.163 13.466 -13.451 1.00 1.62 H new ATOM 0 HA3 GLY A 93 8.024 14.403 -12.247 1.00 1.62 H new ATOM 631 N ALA A 94 6.092 12.759 -10.524 1.00 1.40 N ATOM 632 CA ALA A 94 5.929 11.697 -9.545 1.00 1.40 C ATOM 633 C ALA A 94 4.459 11.319 -9.364 1.00 1.27 C ATOM 634 O ALA A 94 4.065 10.189 -9.654 1.00 1.38 O ATOM 635 CB ALA A 94 6.554 12.103 -8.222 1.00 1.41 C ATOM 0 H ALA A 94 5.444 13.539 -10.417 1.00 1.40 H new ATOM 0 HA ALA A 94 6.445 10.812 -9.918 1.00 1.40 H new ATOM 0 HB1 ALA A 94 6.425 11.299 -7.497 1.00 1.41 H new ATOM 0 HB2 ALA A 94 7.617 12.295 -8.366 1.00 1.41 H new ATOM 0 HB3 ALA A 94 6.069 13.006 -7.852 1.00 1.41 H new ATOM 641 N GLY A 95 3.653 12.261 -8.890 1.00 1.09 N ATOM 642 CA GLY A 95 2.233 12.012 -8.731 1.00 1.02 C ATOM 643 C GLY A 95 1.754 12.184 -7.299 1.00 0.91 C ATOM 644 O GLY A 95 2.248 13.052 -6.580 1.00 1.02 O ATOM 0 H GLY A 95 3.958 13.194 -8.613 1.00 1.09 H new ATOM 0 HA2 GLY A 95 1.677 12.690 -9.378 1.00 1.02 H new ATOM 0 HA3 GLY A 95 2.008 10.999 -9.064 1.00 1.02 H new ATOM 648 N LEU A 96 0.776 11.371 -6.902 1.00 0.79 N ATOM 649 CA LEU A 96 0.255 11.379 -5.530 1.00 0.70 C ATOM 650 C LEU A 96 1.258 10.758 -4.566 1.00 0.65 C ATOM 651 O LEU A 96 2.125 10.007 -4.987 1.00 0.99 O ATOM 652 CB LEU A 96 -1.087 10.624 -5.451 1.00 0.77 C ATOM 653 CG LEU A 96 -1.225 9.377 -6.337 1.00 1.35 C ATOM 654 CD1 LEU A 96 -0.255 8.284 -5.916 1.00 2.05 C ATOM 655 CD2 LEU A 96 -2.655 8.864 -6.296 1.00 2.31 C ATOM 0 H LEU A 96 0.324 10.692 -7.514 1.00 0.79 H new ATOM 0 HA LEU A 96 0.091 12.417 -5.242 1.00 0.70 H new ATOM 0 HB2 LEU A 96 -1.251 10.326 -4.415 1.00 0.77 H new ATOM 0 HB3 LEU A 96 -1.885 11.319 -5.713 1.00 0.77 H new ATOM 0 HG LEU A 96 -0.977 9.661 -7.360 1.00 1.35 H new ATOM 0 HD11 LEU A 96 -0.380 7.417 -6.564 1.00 2.05 H new ATOM 0 HD12 LEU A 96 0.767 8.653 -5.998 1.00 2.05 H new ATOM 0 HD13 LEU A 96 -0.456 7.997 -4.884 1.00 2.05 H new ATOM 0 HD21 LEU A 96 -2.743 7.980 -6.927 1.00 2.31 H new ATOM 0 HD22 LEU A 96 -2.920 8.605 -5.271 1.00 2.31 H new ATOM 0 HD23 LEU A 96 -3.330 9.638 -6.661 1.00 2.31 H new ATOM 667 N GLY A 97 1.141 11.073 -3.284 1.00 0.59 N ATOM 668 CA GLY A 97 2.043 10.498 -2.302 1.00 0.57 C ATOM 669 C GLY A 97 1.594 10.764 -0.879 1.00 0.52 C ATOM 670 O GLY A 97 0.597 11.461 -0.655 1.00 0.55 O ATOM 0 H GLY A 97 0.442 11.713 -2.906 1.00 0.59 H new ATOM 0 HA2 GLY A 97 2.113 9.422 -2.463 1.00 0.57 H new ATOM 0 HA3 GLY A 97 3.043 10.908 -2.447 1.00 0.57 H new ATOM 674 N VAL A 98 2.315 10.204 0.082 1.00 0.48 N ATOM 675 CA VAL A 98 2.054 10.472 1.486 1.00 0.46 C ATOM 676 C VAL A 98 3.209 11.281 2.067 1.00 0.47 C ATOM 677 O VAL A 98 4.338 10.807 2.175 1.00 0.67 O ATOM 678 CB VAL A 98 1.816 9.178 2.317 1.00 0.47 C ATOM 679 CG1 VAL A 98 0.590 8.433 1.808 1.00 0.49 C ATOM 680 CG2 VAL A 98 3.027 8.258 2.304 1.00 0.53 C ATOM 0 H VAL A 98 3.087 9.560 -0.087 1.00 0.48 H new ATOM 0 HA VAL A 98 1.129 11.045 1.547 1.00 0.46 H new ATOM 0 HB VAL A 98 1.647 9.487 3.348 1.00 0.47 H new ATOM 0 HG11 VAL A 98 0.440 7.531 2.401 1.00 0.49 H new ATOM 0 HG12 VAL A 98 -0.287 9.074 1.894 1.00 0.49 H new ATOM 0 HG13 VAL A 98 0.738 8.159 0.763 1.00 0.49 H new ATOM 0 HG21 VAL A 98 2.814 7.368 2.897 1.00 0.53 H new ATOM 0 HG22 VAL A 98 3.251 7.966 1.278 1.00 0.53 H new ATOM 0 HG23 VAL A 98 3.885 8.780 2.728 1.00 0.53 H new ATOM 690 N TRP A 99 2.930 12.509 2.455 1.00 0.38 N ATOM 691 CA TRP A 99 3.994 13.431 2.803 1.00 0.39 C ATOM 692 C TRP A 99 4.489 13.182 4.217 1.00 0.35 C ATOM 693 O TRP A 99 3.864 13.589 5.199 1.00 0.38 O ATOM 694 CB TRP A 99 3.521 14.874 2.646 1.00 0.44 C ATOM 695 CG TRP A 99 3.078 15.198 1.252 1.00 0.50 C ATOM 696 CD1 TRP A 99 1.822 15.550 0.854 1.00 0.66 C ATOM 697 CD2 TRP A 99 3.884 15.181 0.066 1.00 0.62 C ATOM 698 NE1 TRP A 99 1.802 15.771 -0.502 1.00 0.69 N ATOM 699 CE2 TRP A 99 3.053 15.546 -1.008 1.00 0.66 C ATOM 700 CE3 TRP A 99 5.229 14.897 -0.189 1.00 0.88 C ATOM 701 CZ2 TRP A 99 3.523 15.637 -2.315 1.00 0.82 C ATOM 702 CZ3 TRP A 99 5.693 14.985 -1.488 1.00 1.13 C ATOM 703 CH2 TRP A 99 4.842 15.352 -2.537 1.00 1.06 C ATOM 0 H TRP A 99 1.987 12.889 2.537 1.00 0.38 H new ATOM 0 HA TRP A 99 4.827 13.262 2.120 1.00 0.39 H new ATOM 0 HB2 TRP A 99 2.696 15.057 3.335 1.00 0.44 H new ATOM 0 HB3 TRP A 99 4.329 15.548 2.930 1.00 0.44 H new ATOM 0 HD1 TRP A 99 0.968 15.642 1.509 1.00 0.66 H new ATOM 0 HE1 TRP A 99 0.986 16.057 -1.044 1.00 0.69 H new ATOM 0 HE3 TRP A 99 5.893 14.614 0.614 1.00 0.88 H new ATOM 0 HZ2 TRP A 99 2.869 15.923 -3.125 1.00 0.82 H new ATOM 0 HZ3 TRP A 99 6.730 14.767 -1.697 1.00 1.13 H new ATOM 0 HH2 TRP A 99 5.235 15.411 -3.541 1.00 1.06 H new ATOM 714 N ALA A 100 5.620 12.491 4.296 1.00 0.39 N ATOM 715 CA ALA A 100 6.268 12.195 5.560 1.00 0.42 C ATOM 716 C ALA A 100 6.727 13.473 6.242 1.00 0.43 C ATOM 717 O ALA A 100 7.521 14.231 5.685 1.00 0.49 O ATOM 718 CB ALA A 100 7.450 11.266 5.334 1.00 0.54 C ATOM 0 H ALA A 100 6.111 12.121 3.482 1.00 0.39 H new ATOM 0 HA ALA A 100 5.547 11.700 6.211 1.00 0.42 H new ATOM 0 HB1 ALA A 100 7.930 11.049 6.288 1.00 0.54 H new ATOM 0 HB2 ALA A 100 7.101 10.336 4.884 1.00 0.54 H new ATOM 0 HB3 ALA A 100 8.167 11.745 4.667 1.00 0.54 H new ATOM 724 N LYS A 101 6.228 13.705 7.445 1.00 0.47 N ATOM 725 CA LYS A 101 6.584 14.897 8.200 1.00 0.57 C ATOM 726 C LYS A 101 7.613 14.537 9.258 1.00 0.56 C ATOM 727 O LYS A 101 7.890 15.310 10.176 1.00 0.63 O ATOM 728 CB LYS A 101 5.348 15.542 8.843 1.00 0.69 C ATOM 729 CG LYS A 101 4.687 14.722 9.942 1.00 1.17 C ATOM 730 CD LYS A 101 3.705 13.715 9.368 1.00 0.84 C ATOM 731 CE LYS A 101 2.498 14.377 8.735 1.00 0.88 C ATOM 732 NZ LYS A 101 1.775 15.280 9.668 1.00 1.68 N ATOM 0 H LYS A 101 5.574 13.083 7.921 1.00 0.47 H new ATOM 0 HA LYS A 101 7.012 15.628 7.514 1.00 0.57 H new ATOM 0 HB2 LYS A 101 5.636 16.509 9.256 1.00 0.69 H new ATOM 0 HB3 LYS A 101 4.612 15.735 8.063 1.00 0.69 H new ATOM 0 HG2 LYS A 101 5.451 14.200 10.518 1.00 1.17 H new ATOM 0 HG3 LYS A 101 4.167 15.387 10.632 1.00 1.17 H new ATOM 0 HD2 LYS A 101 4.212 13.102 8.622 1.00 0.84 H new ATOM 0 HD3 LYS A 101 3.373 13.044 10.160 1.00 0.84 H new ATOM 0 HE2 LYS A 101 2.819 14.946 7.863 1.00 0.88 H new ATOM 0 HE3 LYS A 101 1.813 13.607 8.379 1.00 0.88 H new ATOM 0 HZ1 LYS A 101 0.896 15.610 9.220 1.00 1.68 H new ATOM 0 HZ2 LYS A 101 1.546 14.765 10.542 1.00 1.68 H new ATOM 0 HZ3 LYS A 101 2.376 16.098 9.896 1.00 1.68 H new ATOM 746 N ARG A 102 8.176 13.354 9.107 1.00 0.54 N ATOM 747 CA ARG A 102 9.175 12.851 10.024 1.00 0.58 C ATOM 748 C ARG A 102 10.415 12.452 9.241 1.00 0.54 C ATOM 749 O ARG A 102 10.339 12.177 8.043 1.00 0.54 O ATOM 750 CB ARG A 102 8.622 11.638 10.777 1.00 0.72 C ATOM 751 CG ARG A 102 9.501 11.156 11.910 1.00 0.83 C ATOM 752 CD ARG A 102 9.463 12.127 13.058 1.00 1.16 C ATOM 753 NE ARG A 102 8.144 12.179 13.682 1.00 1.80 N ATOM 754 CZ ARG A 102 7.691 13.218 14.381 1.00 2.52 C ATOM 755 NH1 ARG A 102 8.462 14.278 14.580 1.00 2.75 N ATOM 756 NH2 ARG A 102 6.466 13.190 14.892 1.00 3.50 N ATOM 0 H ARG A 102 7.952 12.715 8.344 1.00 0.54 H new ATOM 0 HA ARG A 102 9.434 13.626 10.745 1.00 0.58 H new ATOM 0 HB2 ARG A 102 7.640 11.890 11.176 1.00 0.72 H new ATOM 0 HB3 ARG A 102 8.479 10.820 10.070 1.00 0.72 H new ATOM 0 HG2 ARG A 102 9.166 10.174 12.245 1.00 0.83 H new ATOM 0 HG3 ARG A 102 10.526 11.040 11.558 1.00 0.83 H new ATOM 0 HD2 ARG A 102 10.206 11.839 13.802 1.00 1.16 H new ATOM 0 HD3 ARG A 102 9.736 13.121 12.703 1.00 1.16 H new ATOM 0 HE ARG A 102 7.532 11.370 13.576 1.00 1.80 H new ATOM 0 HH11 ARG A 102 9.407 14.300 14.197 1.00 2.75 H new ATOM 0 HH12 ARG A 102 8.110 15.071 15.116 1.00 2.75 H new ATOM 0 HH21 ARG A 102 5.872 12.373 14.749 1.00 3.50 H new ATOM 0 HH22 ARG A 102 6.118 13.986 15.428 1.00 3.50 H new ATOM 770 N LYS A 103 11.557 12.443 9.905 1.00 0.59 N ATOM 771 CA LYS A 103 12.783 11.974 9.285 1.00 0.63 C ATOM 772 C LYS A 103 12.894 10.457 9.360 1.00 0.68 C ATOM 773 O LYS A 103 12.980 9.877 10.441 1.00 0.82 O ATOM 774 CB LYS A 103 14.030 12.615 9.915 1.00 0.73 C ATOM 775 CG LYS A 103 13.842 13.157 11.333 1.00 0.98 C ATOM 776 CD LYS A 103 13.383 12.096 12.329 1.00 1.17 C ATOM 777 CE LYS A 103 14.532 11.303 12.935 1.00 2.05 C ATOM 778 NZ LYS A 103 15.186 10.393 11.957 1.00 2.40 N ATOM 0 H LYS A 103 11.661 12.754 10.871 1.00 0.59 H new ATOM 0 HA LYS A 103 12.736 12.276 8.239 1.00 0.63 H new ATOM 0 HB2 LYS A 103 14.830 11.875 9.930 1.00 0.73 H new ATOM 0 HB3 LYS A 103 14.362 13.431 9.273 1.00 0.73 H new ATOM 0 HG2 LYS A 103 14.783 13.586 11.678 1.00 0.98 H new ATOM 0 HG3 LYS A 103 13.111 13.966 11.312 1.00 0.98 H new ATOM 0 HD2 LYS A 103 12.821 12.578 13.129 1.00 1.17 H new ATOM 0 HD3 LYS A 103 12.700 11.409 11.829 1.00 1.17 H new ATOM 0 HE2 LYS A 103 15.274 11.995 13.333 1.00 2.05 H new ATOM 0 HE3 LYS A 103 14.159 10.718 13.776 1.00 2.05 H new ATOM 0 HZ1 LYS A 103 15.580 9.571 12.457 1.00 2.40 H new ATOM 0 HZ2 LYS A 103 14.485 10.071 11.260 1.00 2.40 H new ATOM 0 HZ3 LYS A 103 15.952 10.900 11.469 1.00 2.40 H new ATOM 792 N MET A 104 12.893 9.826 8.210 1.00 0.73 N ATOM 793 CA MET A 104 13.149 8.400 8.134 1.00 0.83 C ATOM 794 C MET A 104 14.643 8.183 8.042 1.00 0.87 C ATOM 795 O MET A 104 15.308 8.831 7.244 1.00 0.93 O ATOM 796 CB MET A 104 12.450 7.758 6.934 1.00 0.85 C ATOM 797 CG MET A 104 10.943 7.613 7.089 1.00 0.97 C ATOM 798 SD MET A 104 10.073 9.181 7.032 1.00 1.22 S ATOM 799 CE MET A 104 10.362 9.615 5.325 1.00 0.92 C ATOM 0 H MET A 104 12.718 10.275 7.311 1.00 0.73 H new ATOM 0 HA MET A 104 12.748 7.926 9.030 1.00 0.83 H new ATOM 0 HB2 MET A 104 12.656 8.356 6.046 1.00 0.85 H new ATOM 0 HB3 MET A 104 12.882 6.772 6.762 1.00 0.85 H new ATOM 0 HG2 MET A 104 10.564 6.965 6.299 1.00 0.97 H new ATOM 0 HG3 MET A 104 10.727 7.119 8.037 1.00 0.97 H new ATOM 0 HE1 MET A 104 10.532 10.689 5.246 1.00 0.92 H new ATOM 0 HE2 MET A 104 11.238 9.081 4.957 1.00 0.92 H new ATOM 0 HE3 MET A 104 9.492 9.341 4.728 1.00 0.92 H new ATOM 809 N GLU A 105 15.167 7.297 8.865 1.00 0.90 N ATOM 810 CA GLU A 105 16.603 7.105 8.960 1.00 0.93 C ATOM 811 C GLU A 105 17.020 5.707 8.521 1.00 0.89 C ATOM 812 O GLU A 105 16.177 4.860 8.222 1.00 1.13 O ATOM 813 CB GLU A 105 17.078 7.394 10.386 1.00 1.08 C ATOM 814 CG GLU A 105 16.307 6.643 11.458 1.00 1.64 C ATOM 815 CD GLU A 105 16.577 7.190 12.842 1.00 1.94 C ATOM 816 OE1 GLU A 105 15.972 8.220 13.197 1.00 2.25 O ATOM 817 OE2 GLU A 105 17.393 6.602 13.575 1.00 2.31 O ATOM 0 H GLU A 105 14.619 6.696 9.480 1.00 0.90 H new ATOM 0 HA GLU A 105 17.081 7.809 8.278 1.00 0.93 H new ATOM 0 HB2 GLU A 105 18.134 7.137 10.465 1.00 1.08 H new ATOM 0 HB3 GLU A 105 16.995 8.464 10.576 1.00 1.08 H new ATOM 0 HG2 GLU A 105 15.240 6.704 11.246 1.00 1.64 H new ATOM 0 HG3 GLU A 105 16.578 5.588 11.427 1.00 1.64 H new ATOM 824 N ALA A 106 18.325 5.488 8.469 1.00 0.78 N ATOM 825 CA ALA A 106 18.894 4.230 8.000 1.00 0.78 C ATOM 826 C ALA A 106 18.302 3.011 8.704 1.00 0.76 C ATOM 827 O ALA A 106 18.262 2.944 9.935 1.00 0.78 O ATOM 828 CB ALA A 106 20.402 4.245 8.188 1.00 0.84 C ATOM 0 H ALA A 106 19.022 6.177 8.751 1.00 0.78 H new ATOM 0 HA ALA A 106 18.644 4.143 6.943 1.00 0.78 H new ATOM 0 HB1 ALA A 106 20.822 3.303 7.836 1.00 0.84 H new ATOM 0 HB2 ALA A 106 20.832 5.069 7.618 1.00 0.84 H new ATOM 0 HB3 ALA A 106 20.636 4.374 9.245 1.00 0.84 H new ATOM 834 N GLY A 107 17.812 2.066 7.909 1.00 0.83 N ATOM 835 CA GLY A 107 17.460 0.760 8.432 1.00 0.91 C ATOM 836 C GLY A 107 15.989 0.600 8.767 1.00 0.87 C ATOM 837 O GLY A 107 15.509 -0.526 8.907 1.00 1.04 O ATOM 0 H GLY A 107 17.652 2.182 6.908 1.00 0.83 H new ATOM 0 HA2 GLY A 107 17.739 0.001 7.701 1.00 0.91 H new ATOM 0 HA3 GLY A 107 18.048 0.570 9.330 1.00 0.91 H new ATOM 841 N GLU A 108 15.264 1.703 8.893 1.00 0.71 N ATOM 842 CA GLU A 108 13.875 1.627 9.323 1.00 0.74 C ATOM 843 C GLU A 108 12.963 1.152 8.204 1.00 0.61 C ATOM 844 O GLU A 108 13.314 1.218 7.024 1.00 0.61 O ATOM 845 CB GLU A 108 13.376 2.965 9.863 1.00 0.87 C ATOM 846 CG GLU A 108 13.338 4.096 8.849 1.00 0.85 C ATOM 847 CD GLU A 108 12.504 5.253 9.350 1.00 1.78 C ATOM 848 OE1 GLU A 108 11.288 5.273 9.077 1.00 2.62 O ATOM 849 OE2 GLU A 108 13.063 6.164 9.997 1.00 2.13 O ATOM 0 H GLU A 108 15.607 2.646 8.707 1.00 0.71 H new ATOM 0 HA GLU A 108 13.843 0.894 10.129 1.00 0.74 H new ATOM 0 HB2 GLU A 108 12.373 2.825 10.266 1.00 0.87 H new ATOM 0 HB3 GLU A 108 14.014 3.264 10.694 1.00 0.87 H new ATOM 0 HG2 GLU A 108 14.352 4.438 8.644 1.00 0.85 H new ATOM 0 HG3 GLU A 108 12.928 3.730 7.908 1.00 0.85 H new ATOM 856 N ARG A 109 11.792 0.665 8.592 1.00 0.63 N ATOM 857 CA ARG A 109 10.823 0.143 7.648 1.00 0.56 C ATOM 858 C ARG A 109 9.554 0.976 7.667 1.00 0.46 C ATOM 859 O ARG A 109 9.120 1.435 8.723 1.00 0.55 O ATOM 860 CB ARG A 109 10.467 -1.300 7.998 1.00 0.73 C ATOM 861 CG ARG A 109 9.568 -1.977 6.980 1.00 0.80 C ATOM 862 CD ARG A 109 8.580 -2.910 7.654 1.00 1.22 C ATOM 863 NE ARG A 109 7.964 -3.849 6.713 1.00 2.02 N ATOM 864 CZ ARG A 109 7.419 -5.013 7.078 1.00 2.71 C ATOM 865 NH1 ARG A 109 7.369 -5.354 8.359 1.00 2.91 N ATOM 866 NH2 ARG A 109 6.917 -5.835 6.165 1.00 3.62 N ATOM 0 H ARG A 109 11.492 0.622 9.566 1.00 0.63 H new ATOM 0 HA ARG A 109 11.269 0.183 6.654 1.00 0.56 H new ATOM 0 HB2 ARG A 109 11.387 -1.877 8.096 1.00 0.73 H new ATOM 0 HB3 ARG A 109 9.975 -1.317 8.970 1.00 0.73 H new ATOM 0 HG2 ARG A 109 9.028 -1.222 6.409 1.00 0.80 H new ATOM 0 HG3 ARG A 109 10.176 -2.538 6.270 1.00 0.80 H new ATOM 0 HD2 ARG A 109 9.090 -3.469 8.439 1.00 1.22 H new ATOM 0 HD3 ARG A 109 7.801 -2.321 8.137 1.00 1.22 H new ATOM 0 HE ARG A 109 7.950 -3.600 5.724 1.00 2.02 H new ATOM 0 HH11 ARG A 109 7.747 -4.727 9.069 1.00 2.91 H new ATOM 0 HH12 ARG A 109 6.952 -6.243 8.634 1.00 2.91 H new ATOM 0 HH21 ARG A 109 6.946 -5.580 5.178 1.00 3.62 H new ATOM 0 HH22 ARG A 109 6.502 -6.722 6.450 1.00 3.62 H new ATOM 880 N LEU A 110 8.965 1.175 6.502 1.00 0.38 N ATOM 881 CA LEU A 110 7.646 1.778 6.428 1.00 0.39 C ATOM 882 C LEU A 110 6.599 0.676 6.422 1.00 0.49 C ATOM 883 O LEU A 110 6.763 -0.340 5.738 1.00 0.53 O ATOM 884 CB LEU A 110 7.472 2.631 5.169 1.00 0.35 C ATOM 885 CG LEU A 110 8.479 3.765 4.944 1.00 0.35 C ATOM 886 CD1 LEU A 110 7.820 4.872 4.129 1.00 0.39 C ATOM 887 CD2 LEU A 110 9.020 4.314 6.261 1.00 0.41 C ATOM 0 H LEU A 110 9.375 0.930 5.600 1.00 0.38 H new ATOM 0 HA LEU A 110 7.528 2.429 7.294 1.00 0.39 H new ATOM 0 HB2 LEU A 110 7.511 1.968 4.304 1.00 0.35 H new ATOM 0 HB3 LEU A 110 6.473 3.066 5.192 1.00 0.35 H new ATOM 0 HG LEU A 110 9.330 3.364 4.394 1.00 0.35 H new ATOM 0 HD11 LEU A 110 8.534 5.679 3.968 1.00 0.39 H new ATOM 0 HD12 LEU A 110 7.499 4.474 3.166 1.00 0.39 H new ATOM 0 HD13 LEU A 110 6.955 5.256 4.669 1.00 0.39 H new ATOM 0 HD21 LEU A 110 9.730 5.115 6.057 1.00 0.41 H new ATOM 0 HD22 LEU A 110 8.196 4.703 6.859 1.00 0.41 H new ATOM 0 HD23 LEU A 110 9.521 3.516 6.809 1.00 0.41 H new ATOM 899 N GLY A 111 5.541 0.859 7.190 1.00 0.61 N ATOM 900 CA GLY A 111 4.475 -0.113 7.207 1.00 0.77 C ATOM 901 C GLY A 111 3.765 -0.176 8.542 1.00 0.88 C ATOM 902 O GLY A 111 3.674 0.836 9.238 1.00 1.02 O ATOM 0 H GLY A 111 5.401 1.663 7.802 1.00 0.61 H new ATOM 0 HA2 GLY A 111 3.753 0.131 6.427 1.00 0.77 H new ATOM 0 HA3 GLY A 111 4.881 -1.096 6.969 1.00 0.77 H new ATOM 906 N PRO A 112 3.269 -1.360 8.937 1.00 1.23 N ATOM 907 CA PRO A 112 3.444 -2.600 8.167 1.00 1.24 C ATOM 908 C PRO A 112 2.540 -2.656 6.932 1.00 1.05 C ATOM 909 O PRO A 112 1.362 -2.311 6.989 1.00 1.19 O ATOM 910 CB PRO A 112 3.052 -3.683 9.173 1.00 1.78 C ATOM 911 CG PRO A 112 2.053 -3.025 10.060 1.00 2.10 C ATOM 912 CD PRO A 112 2.472 -1.581 10.160 1.00 1.83 C ATOM 0 HA PRO A 112 4.455 -2.703 7.774 1.00 1.24 H new ATOM 0 HB2 PRO A 112 2.627 -4.553 8.673 1.00 1.78 H new ATOM 0 HB3 PRO A 112 3.916 -4.031 9.738 1.00 1.78 H new ATOM 0 HG2 PRO A 112 1.048 -3.112 9.647 1.00 2.10 H new ATOM 0 HG3 PRO A 112 2.035 -3.495 11.043 1.00 2.10 H new ATOM 0 HD2 PRO A 112 1.609 -0.916 10.201 1.00 1.83 H new ATOM 0 HD3 PRO A 112 3.060 -1.396 11.059 1.00 1.83 H new ATOM 920 N CYS A 113 3.127 -3.067 5.812 1.00 1.00 N ATOM 921 CA CYS A 113 2.388 -3.228 4.567 1.00 1.00 C ATOM 922 C CYS A 113 1.532 -4.483 4.635 1.00 1.17 C ATOM 923 O CYS A 113 0.308 -4.417 4.667 1.00 1.67 O ATOM 924 CB CYS A 113 3.362 -3.315 3.388 1.00 1.05 C ATOM 925 SG CYS A 113 2.578 -3.569 1.779 1.00 2.00 S ATOM 0 H CYS A 113 4.119 -3.296 5.743 1.00 1.00 H new ATOM 0 HA CYS A 113 1.739 -2.365 4.422 1.00 1.00 H new ATOM 0 HB2 CYS A 113 3.949 -2.397 3.350 1.00 1.05 H new ATOM 0 HB3 CYS A 113 4.060 -4.132 3.570 1.00 1.05 H new ATOM 0 HG CYS A 113 2.503 -2.434 1.149 1.00 2.00 H new ATOM 1692 N GLY A 166 -1.232 -2.342 2.716 1.00 1.30 N ATOM 1693 CA GLY A 166 -0.192 -1.483 2.182 1.00 1.24 C ATOM 1694 C GLY A 166 -0.758 -0.425 1.263 1.00 1.03 C ATOM 1695 O GLY A 166 -0.042 0.157 0.451 1.00 1.05 O ATOM 0 HA2 GLY A 166 0.342 -1.004 3.003 1.00 1.24 H new ATOM 0 HA3 GLY A 166 0.535 -2.086 1.638 1.00 1.24 H new ATOM 1699 N SER A 167 -2.051 -0.173 1.415 1.00 0.98 N ATOM 1700 CA SER A 167 -2.783 0.757 0.564 1.00 0.99 C ATOM 1701 C SER A 167 -2.128 2.138 0.519 1.00 0.78 C ATOM 1702 O SER A 167 -2.135 2.799 -0.514 1.00 0.86 O ATOM 1703 CB SER A 167 -4.211 0.871 1.085 1.00 1.17 C ATOM 1704 OG SER A 167 -4.696 -0.404 1.477 1.00 1.82 O ATOM 0 H SER A 167 -2.625 -0.610 2.136 1.00 0.98 H new ATOM 0 HA SER A 167 -2.776 0.370 -0.455 1.00 0.99 H new ATOM 0 HB2 SER A 167 -4.242 1.556 1.932 1.00 1.17 H new ATOM 0 HB3 SER A 167 -4.855 1.291 0.312 1.00 1.17 H new ATOM 0 HG SER A 167 -5.613 -0.317 1.811 1.00 1.82 H new ATOM 1710 N TRP A 168 -1.549 2.566 1.634 1.00 0.62 N ATOM 1711 CA TRP A 168 -0.945 3.889 1.708 1.00 0.51 C ATOM 1712 C TRP A 168 0.484 3.877 1.171 1.00 0.42 C ATOM 1713 O TRP A 168 1.038 4.918 0.831 1.00 0.43 O ATOM 1714 CB TRP A 168 -0.967 4.414 3.149 1.00 0.56 C ATOM 1715 CG TRP A 168 -0.108 3.641 4.110 1.00 0.55 C ATOM 1716 CD1 TRP A 168 -0.416 2.463 4.730 1.00 0.69 C ATOM 1717 CD2 TRP A 168 1.192 4.013 4.579 1.00 0.49 C ATOM 1718 NE1 TRP A 168 0.622 2.075 5.543 1.00 0.70 N ATOM 1719 CE2 TRP A 168 1.620 3.012 5.469 1.00 0.56 C ATOM 1720 CE3 TRP A 168 2.037 5.095 4.326 1.00 0.49 C ATOM 1721 CZ2 TRP A 168 2.858 3.063 6.109 1.00 0.55 C ATOM 1722 CZ3 TRP A 168 3.264 5.147 4.960 1.00 0.51 C ATOM 1723 CH2 TRP A 168 3.666 4.137 5.841 1.00 0.50 C ATOM 0 H TRP A 168 -1.485 2.020 2.493 1.00 0.62 H new ATOM 0 HA TRP A 168 -1.536 4.558 1.082 1.00 0.51 H new ATOM 0 HB2 TRP A 168 -0.642 5.454 3.148 1.00 0.56 H new ATOM 0 HB3 TRP A 168 -1.995 4.402 3.511 1.00 0.56 H new ATOM 0 HD1 TRP A 168 -1.339 1.917 4.600 1.00 0.69 H new ATOM 0 HE1 TRP A 168 0.646 1.227 6.110 1.00 0.70 H new ATOM 0 HE3 TRP A 168 1.737 5.879 3.646 1.00 0.49 H new ATOM 0 HZ2 TRP A 168 3.169 2.285 6.791 1.00 0.55 H new ATOM 0 HZ3 TRP A 168 3.924 5.981 4.772 1.00 0.51 H new ATOM 0 HH2 TRP A 168 4.632 4.205 6.319 1.00 0.50 H new ATOM 1734 N LEU A 169 1.070 2.690 1.075 1.00 0.41 N ATOM 1735 CA LEU A 169 2.459 2.560 0.658 1.00 0.38 C ATOM 1736 C LEU A 169 2.591 2.510 -0.857 1.00 0.39 C ATOM 1737 O LEU A 169 3.683 2.679 -1.396 1.00 0.41 O ATOM 1738 CB LEU A 169 3.097 1.333 1.303 1.00 0.44 C ATOM 1739 CG LEU A 169 3.563 1.535 2.745 1.00 0.46 C ATOM 1740 CD1 LEU A 169 3.982 0.212 3.360 1.00 0.66 C ATOM 1741 CD2 LEU A 169 4.714 2.530 2.796 1.00 0.55 C ATOM 0 H LEU A 169 0.605 1.805 1.280 1.00 0.41 H new ATOM 0 HA LEU A 169 2.992 3.448 0.998 1.00 0.38 H new ATOM 0 HB2 LEU A 169 2.379 0.513 1.280 1.00 0.44 H new ATOM 0 HB3 LEU A 169 3.951 1.026 0.700 1.00 0.44 H new ATOM 0 HG LEU A 169 2.730 1.936 3.323 1.00 0.46 H new ATOM 0 HD11 LEU A 169 4.311 0.376 4.386 1.00 0.66 H new ATOM 0 HD12 LEU A 169 3.136 -0.476 3.355 1.00 0.66 H new ATOM 0 HD13 LEU A 169 4.800 -0.215 2.781 1.00 0.66 H new ATOM 0 HD21 LEU A 169 5.034 2.663 3.829 1.00 0.55 H new ATOM 0 HD22 LEU A 169 5.547 2.153 2.203 1.00 0.55 H new ATOM 0 HD23 LEU A 169 4.385 3.488 2.392 1.00 0.55 H new ATOM 1753 N LYS A 170 1.480 2.288 -1.549 1.00 0.44 N ATOM 1754 CA LYS A 170 1.488 2.328 -3.005 1.00 0.52 C ATOM 1755 C LYS A 170 1.576 3.776 -3.475 1.00 0.50 C ATOM 1756 O LYS A 170 1.795 4.055 -4.656 1.00 0.61 O ATOM 1757 CB LYS A 170 0.239 1.640 -3.581 1.00 0.66 C ATOM 1758 CG LYS A 170 -1.071 2.407 -3.396 1.00 0.74 C ATOM 1759 CD LYS A 170 -1.391 3.290 -4.600 1.00 0.83 C ATOM 1760 CE LYS A 170 -2.830 3.775 -4.573 1.00 1.15 C ATOM 1761 NZ LYS A 170 -3.227 4.400 -5.862 1.00 1.48 N ATOM 0 H LYS A 170 0.573 2.081 -1.131 1.00 0.44 H new ATOM 0 HA LYS A 170 2.360 1.784 -3.368 1.00 0.52 H new ATOM 0 HB2 LYS A 170 0.395 1.472 -4.647 1.00 0.66 H new ATOM 0 HB3 LYS A 170 0.136 0.660 -3.115 1.00 0.66 H new ATOM 0 HG2 LYS A 170 -1.886 1.700 -3.238 1.00 0.74 H new ATOM 0 HG3 LYS A 170 -1.006 3.025 -2.500 1.00 0.74 H new ATOM 0 HD2 LYS A 170 -0.718 4.147 -4.612 1.00 0.83 H new ATOM 0 HD3 LYS A 170 -1.212 2.732 -5.519 1.00 0.83 H new ATOM 0 HE2 LYS A 170 -3.492 2.937 -4.357 1.00 1.15 H new ATOM 0 HE3 LYS A 170 -2.955 4.496 -3.766 1.00 1.15 H new ATOM 0 HZ1 LYS A 170 -4.215 4.718 -5.804 1.00 1.48 H new ATOM 0 HZ2 LYS A 170 -2.612 5.216 -6.056 1.00 1.48 H new ATOM 0 HZ3 LYS A 170 -3.132 3.704 -6.629 1.00 1.48 H new ATOM 1775 N TYR A 171 1.409 4.691 -2.527 1.00 0.45 N ATOM 1776 CA TYR A 171 1.426 6.112 -2.816 1.00 0.52 C ATOM 1777 C TYR A 171 2.842 6.643 -2.962 1.00 0.53 C ATOM 1778 O TYR A 171 3.058 7.579 -3.725 1.00 0.68 O ATOM 1779 CB TYR A 171 0.689 6.894 -1.727 1.00 0.56 C ATOM 1780 CG TYR A 171 -0.816 6.850 -1.857 1.00 0.85 C ATOM 1781 CD1 TYR A 171 -1.517 7.902 -2.428 1.00 1.12 C ATOM 1782 CD2 TYR A 171 -1.535 5.751 -1.406 1.00 1.03 C ATOM 1783 CE1 TYR A 171 -2.893 7.861 -2.545 1.00 1.44 C ATOM 1784 CE2 TYR A 171 -2.910 5.702 -1.521 1.00 1.42 C ATOM 1785 CZ TYR A 171 -3.582 6.781 -2.104 1.00 1.58 C ATOM 1786 OH TYR A 171 -4.952 6.716 -2.204 1.00 1.97 O ATOM 0 H TYR A 171 1.259 4.466 -1.543 1.00 0.45 H new ATOM 0 HA TYR A 171 0.914 6.251 -3.768 1.00 0.52 H new ATOM 0 HB2 TYR A 171 0.972 6.496 -0.752 1.00 0.56 H new ATOM 0 HB3 TYR A 171 1.016 7.933 -1.754 1.00 0.56 H new ATOM 0 HD1 TYR A 171 -0.979 8.767 -2.787 1.00 1.12 H new ATOM 0 HD2 TYR A 171 -1.010 4.921 -0.958 1.00 1.03 H new ATOM 0 HE1 TYR A 171 -3.421 8.692 -2.989 1.00 1.44 H new ATOM 0 HE2 TYR A 171 -3.459 4.842 -1.166 1.00 1.42 H new ATOM 0 HH TYR A 171 -5.267 5.864 -1.836 1.00 1.97 H new ATOM 1796 N ILE A 172 3.805 6.038 -2.255 1.00 0.43 N ATOM 1797 CA ILE A 172 5.171 6.542 -2.269 1.00 0.46 C ATOM 1798 C ILE A 172 5.697 6.619 -3.696 1.00 0.56 C ATOM 1799 O ILE A 172 5.597 5.653 -4.462 1.00 0.67 O ATOM 1800 CB ILE A 172 6.133 5.659 -1.462 1.00 0.42 C ATOM 1801 CG1 ILE A 172 5.459 5.072 -0.214 1.00 0.42 C ATOM 1802 CG2 ILE A 172 7.342 6.489 -1.072 1.00 0.57 C ATOM 1803 CD1 ILE A 172 5.478 5.974 1.008 1.00 0.54 C ATOM 0 H ILE A 172 3.660 5.211 -1.676 1.00 0.43 H new ATOM 0 HA ILE A 172 5.132 7.531 -1.813 1.00 0.46 H new ATOM 0 HB ILE A 172 6.439 4.816 -2.082 1.00 0.42 H new ATOM 0 HG12 ILE A 172 4.423 4.835 -0.456 1.00 0.42 H new ATOM 0 HG13 ILE A 172 5.951 4.132 0.038 1.00 0.42 H new ATOM 0 HG21 ILE A 172 8.035 5.875 -0.497 1.00 0.57 H new ATOM 0 HG22 ILE A 172 7.839 6.853 -1.971 1.00 0.57 H new ATOM 0 HG23 ILE A 172 7.021 7.337 -0.467 1.00 0.57 H new ATOM 0 HD11 ILE A 172 4.979 5.473 1.838 1.00 0.54 H new ATOM 0 HD12 ILE A 172 6.510 6.192 1.283 1.00 0.54 H new ATOM 0 HD13 ILE A 172 4.959 6.905 0.781 1.00 0.54 H new ATOM 1815 N ARG A 173 6.242 7.764 -4.057 1.00 0.71 N ATOM 1816 CA ARG A 173 6.742 7.970 -5.401 1.00 0.92 C ATOM 1817 C ARG A 173 8.224 7.665 -5.504 1.00 0.69 C ATOM 1818 O ARG A 173 8.999 7.919 -4.581 1.00 0.61 O ATOM 1819 CB ARG A 173 6.476 9.398 -5.862 1.00 1.38 C ATOM 1820 CG ARG A 173 4.999 9.743 -5.934 1.00 1.82 C ATOM 1821 CD ARG A 173 4.190 8.608 -6.549 1.00 2.22 C ATOM 1822 NE ARG A 173 4.731 8.163 -7.833 1.00 2.79 N ATOM 1823 CZ ARG A 173 4.887 6.883 -8.166 1.00 3.52 C ATOM 1824 NH1 ARG A 173 4.607 5.925 -7.290 1.00 3.84 N ATOM 1825 NH2 ARG A 173 5.353 6.561 -9.365 1.00 4.34 N ATOM 0 H ARG A 173 6.350 8.567 -3.437 1.00 0.71 H new ATOM 0 HA ARG A 173 6.208 7.277 -6.051 1.00 0.92 H new ATOM 0 HB2 ARG A 173 6.970 10.090 -5.180 1.00 1.38 H new ATOM 0 HB3 ARG A 173 6.924 9.544 -6.845 1.00 1.38 H new ATOM 0 HG2 ARG A 173 4.625 9.957 -4.933 1.00 1.82 H new ATOM 0 HG3 ARG A 173 4.864 10.649 -6.525 1.00 1.82 H new ATOM 0 HD2 ARG A 173 4.168 7.766 -5.857 1.00 2.22 H new ATOM 0 HD3 ARG A 173 3.159 8.935 -6.687 1.00 2.22 H new ATOM 0 HE ARG A 173 5.004 8.873 -8.512 1.00 2.79 H new ATOM 0 HH11 ARG A 173 4.271 6.168 -6.358 1.00 3.84 H new ATOM 0 HH12 ARG A 173 4.728 4.946 -7.549 1.00 3.84 H new ATOM 0 HH21 ARG A 173 5.592 7.294 -10.033 1.00 4.34 H new ATOM 0 HH22 ARG A 173 5.472 5.580 -9.619 1.00 4.34 H new ATOM 1839 N VAL A 174 8.607 7.099 -6.642 1.00 0.70 N ATOM 1840 CA VAL A 174 9.997 6.799 -6.910 1.00 0.63 C ATOM 1841 C VAL A 174 10.719 8.083 -7.309 1.00 0.55 C ATOM 1842 O VAL A 174 10.085 9.022 -7.800 1.00 0.62 O ATOM 1843 CB VAL A 174 10.142 5.702 -7.998 1.00 0.73 C ATOM 1844 CG1 VAL A 174 9.531 6.136 -9.317 1.00 0.98 C ATOM 1845 CG2 VAL A 174 11.595 5.293 -8.188 1.00 1.07 C ATOM 0 H VAL A 174 7.967 6.840 -7.393 1.00 0.70 H new ATOM 0 HA VAL A 174 10.456 6.401 -6.005 1.00 0.63 H new ATOM 0 HB VAL A 174 9.590 4.831 -7.645 1.00 0.73 H new ATOM 0 HG11 VAL A 174 9.652 5.341 -10.053 1.00 0.98 H new ATOM 0 HG12 VAL A 174 8.470 6.341 -9.176 1.00 0.98 H new ATOM 0 HG13 VAL A 174 10.031 7.038 -9.670 1.00 0.98 H new ATOM 0 HG21 VAL A 174 11.659 4.523 -8.957 1.00 1.07 H new ATOM 0 HG22 VAL A 174 12.180 6.160 -8.493 1.00 1.07 H new ATOM 0 HG23 VAL A 174 11.989 4.902 -7.250 1.00 1.07 H new ATOM 1855 N ALA A 175 12.029 8.122 -7.069 1.00 0.53 N ATOM 1856 CA ALA A 175 12.828 9.334 -7.243 1.00 0.57 C ATOM 1857 C ALA A 175 12.562 10.010 -8.579 1.00 0.52 C ATOM 1858 O ALA A 175 12.898 9.477 -9.638 1.00 0.57 O ATOM 1859 CB ALA A 175 14.308 9.018 -7.111 1.00 0.71 C ATOM 0 H ALA A 175 12.565 7.316 -6.749 1.00 0.53 H new ATOM 0 HA ALA A 175 12.532 10.027 -6.456 1.00 0.57 H new ATOM 0 HB1 ALA A 175 14.888 9.931 -7.243 1.00 0.71 H new ATOM 0 HB2 ALA A 175 14.505 8.603 -6.122 1.00 0.71 H new ATOM 0 HB3 ALA A 175 14.595 8.293 -7.873 1.00 0.71 H new ATOM 1865 N CYS A 176 11.941 11.181 -8.508 1.00 0.62 N ATOM 1866 CA CYS A 176 11.673 11.988 -9.685 1.00 0.69 C ATOM 1867 C CYS A 176 12.986 12.475 -10.286 1.00 0.68 C ATOM 1868 O CYS A 176 13.119 12.606 -11.502 1.00 0.84 O ATOM 1869 CB CYS A 176 10.782 13.176 -9.308 1.00 0.85 C ATOM 1870 SG CYS A 176 10.373 14.272 -10.690 1.00 1.88 S ATOM 0 H CYS A 176 11.611 11.594 -7.635 1.00 0.62 H new ATOM 0 HA CYS A 176 11.152 11.383 -10.428 1.00 0.69 H new ATOM 0 HB2 CYS A 176 9.857 12.797 -8.874 1.00 0.85 H new ATOM 0 HB3 CYS A 176 11.282 13.758 -8.534 1.00 0.85 H new ATOM 0 HG CYS A 176 9.616 15.241 -10.266 1.00 1.88 H new ATOM 1876 N SER A 177 13.954 12.727 -9.419 1.00 0.63 N ATOM 1877 CA SER A 177 15.282 13.125 -9.837 1.00 0.71 C ATOM 1878 C SER A 177 16.309 12.265 -9.106 1.00 0.65 C ATOM 1879 O SER A 177 16.052 11.785 -7.999 1.00 0.66 O ATOM 1880 CB SER A 177 15.499 14.609 -9.533 1.00 0.88 C ATOM 1881 OG SER A 177 16.676 15.099 -10.151 1.00 1.63 O ATOM 0 H SER A 177 13.838 12.661 -8.408 1.00 0.63 H new ATOM 0 HA SER A 177 15.396 12.979 -10.911 1.00 0.71 H new ATOM 0 HB2 SER A 177 14.639 15.182 -9.880 1.00 0.88 H new ATOM 0 HB3 SER A 177 15.565 14.755 -8.455 1.00 0.88 H new ATOM 0 HG SER A 177 16.785 16.050 -9.939 1.00 1.63 H new ATOM 1887 N CYS A 178 17.466 12.070 -9.726 1.00 0.71 N ATOM 1888 CA CYS A 178 18.501 11.195 -9.181 1.00 0.76 C ATOM 1889 C CYS A 178 19.174 11.816 -7.959 1.00 0.71 C ATOM 1890 O CYS A 178 20.006 11.184 -7.312 1.00 0.77 O ATOM 1891 CB CYS A 178 19.545 10.888 -10.253 1.00 1.00 C ATOM 1892 SG CYS A 178 18.854 10.153 -11.752 1.00 1.96 S ATOM 0 H CYS A 178 17.714 12.509 -10.613 1.00 0.71 H new ATOM 0 HA CYS A 178 18.022 10.268 -8.865 1.00 0.76 H new ATOM 0 HB2 CYS A 178 20.064 11.810 -10.517 1.00 1.00 H new ATOM 0 HB3 CYS A 178 20.291 10.210 -9.837 1.00 1.00 H new ATOM 0 HG CYS A 178 19.809 9.929 -12.605 1.00 1.96 H new ATOM 1898 N ASP A 179 18.827 13.059 -7.661 1.00 0.76 N ATOM 1899 CA ASP A 179 19.336 13.728 -6.471 1.00 0.88 C ATOM 1900 C ASP A 179 18.418 13.486 -5.277 1.00 0.82 C ATOM 1901 O ASP A 179 18.660 13.995 -4.184 1.00 0.99 O ATOM 1902 CB ASP A 179 19.497 15.231 -6.718 1.00 1.08 C ATOM 1903 CG ASP A 179 20.623 15.543 -7.680 1.00 1.81 C ATOM 1904 OD1 ASP A 179 20.339 15.837 -8.861 1.00 2.40 O ATOM 1905 OD2 ASP A 179 21.802 15.488 -7.265 1.00 2.42 O ATOM 0 H ASP A 179 18.195 13.626 -8.226 1.00 0.76 H new ATOM 0 HA ASP A 179 20.316 13.307 -6.245 1.00 0.88 H new ATOM 0 HB2 ASP A 179 18.564 15.633 -7.113 1.00 1.08 H new ATOM 0 HB3 ASP A 179 19.684 15.734 -5.769 1.00 1.08 H new ATOM 1910 N ASP A 180 17.361 12.713 -5.493 1.00 0.70 N ATOM 1911 CA ASP A 180 16.382 12.434 -4.443 1.00 0.75 C ATOM 1912 C ASP A 180 16.465 10.984 -3.988 1.00 0.60 C ATOM 1913 O ASP A 180 15.553 10.481 -3.332 1.00 0.64 O ATOM 1914 CB ASP A 180 14.956 12.718 -4.930 1.00 0.92 C ATOM 1915 CG ASP A 180 14.756 14.147 -5.388 1.00 1.41 C ATOM 1916 OD1 ASP A 180 14.657 14.377 -6.612 1.00 2.12 O ATOM 1917 OD2 ASP A 180 14.706 15.046 -4.527 1.00 1.55 O ATOM 0 H ASP A 180 17.157 12.266 -6.387 1.00 0.70 H new ATOM 0 HA ASP A 180 16.616 13.090 -3.605 1.00 0.75 H new ATOM 0 HB2 ASP A 180 14.719 12.043 -5.752 1.00 0.92 H new ATOM 0 HB3 ASP A 180 14.254 12.499 -4.125 1.00 0.92 H new ATOM 1922 N GLN A 181 17.553 10.314 -4.343 1.00 0.51 N ATOM 1923 CA GLN A 181 17.686 8.883 -4.083 1.00 0.46 C ATOM 1924 C GLN A 181 17.692 8.573 -2.589 1.00 0.46 C ATOM 1925 O GLN A 181 18.600 8.973 -1.856 1.00 0.56 O ATOM 1926 CB GLN A 181 18.963 8.336 -4.723 1.00 0.56 C ATOM 1927 CG GLN A 181 19.033 8.534 -6.229 1.00 0.62 C ATOM 1928 CD GLN A 181 17.879 7.893 -6.977 1.00 0.70 C ATOM 1929 OE1 GLN A 181 17.465 8.380 -8.027 1.00 1.35 O ATOM 1930 NE2 GLN A 181 17.360 6.791 -6.455 1.00 0.98 N ATOM 0 H GLN A 181 18.356 10.735 -4.811 1.00 0.51 H new ATOM 0 HA GLN A 181 16.818 8.396 -4.527 1.00 0.46 H new ATOM 0 HB2 GLN A 181 19.824 8.820 -4.263 1.00 0.56 H new ATOM 0 HB3 GLN A 181 19.040 7.271 -4.503 1.00 0.56 H new ATOM 0 HG2 GLN A 181 19.049 9.602 -6.447 1.00 0.62 H new ATOM 0 HG3 GLN A 181 19.971 8.119 -6.599 1.00 0.62 H new ATOM 0 HE21 GLN A 181 17.731 6.417 -5.581 1.00 0.98 H new ATOM 0 HE22 GLN A 181 16.590 6.317 -6.927 1.00 0.98 H new ATOM 1939 N ASN A 182 16.668 7.852 -2.156 1.00 0.40 N ATOM 1940 CA ASN A 182 16.557 7.382 -0.787 1.00 0.41 C ATOM 1941 C ASN A 182 15.547 6.232 -0.741 1.00 0.36 C ATOM 1942 O ASN A 182 14.863 6.005 0.251 1.00 0.42 O ATOM 1943 CB ASN A 182 16.146 8.551 0.122 1.00 0.49 C ATOM 1944 CG ASN A 182 15.968 8.159 1.576 1.00 0.99 C ATOM 1945 OD1 ASN A 182 16.934 7.952 2.305 1.00 1.68 O ATOM 1946 ND2 ASN A 182 14.727 8.103 2.012 1.00 0.93 N ATOM 0 H ASN A 182 15.887 7.576 -2.751 1.00 0.40 H new ATOM 0 HA ASN A 182 17.514 7.007 -0.425 1.00 0.41 H new ATOM 0 HB2 ASN A 182 16.901 9.334 0.056 1.00 0.49 H new ATOM 0 HB3 ASN A 182 15.213 8.976 -0.247 1.00 0.49 H new ATOM 0 HD21 ASN A 182 14.539 7.881 2.990 1.00 0.93 H new ATOM 0 HD22 ASN A 182 13.953 8.282 1.372 1.00 0.93 H new ATOM 1953 N LEU A 183 15.483 5.480 -1.828 1.00 0.34 N ATOM 1954 CA LEU A 183 14.451 4.469 -1.982 1.00 0.35 C ATOM 1955 C LEU A 183 15.059 3.079 -2.127 1.00 0.36 C ATOM 1956 O LEU A 183 15.870 2.836 -3.022 1.00 0.39 O ATOM 1957 CB LEU A 183 13.578 4.768 -3.205 1.00 0.39 C ATOM 1958 CG LEU A 183 13.259 6.232 -3.467 1.00 0.46 C ATOM 1959 CD1 LEU A 183 14.361 6.896 -4.271 1.00 0.73 C ATOM 1960 CD2 LEU A 183 11.937 6.352 -4.194 1.00 0.81 C ATOM 0 H LEU A 183 16.130 5.550 -2.613 1.00 0.34 H new ATOM 0 HA LEU A 183 13.835 4.493 -1.083 1.00 0.35 H new ATOM 0 HB2 LEU A 183 14.075 4.364 -4.087 1.00 0.39 H new ATOM 0 HB3 LEU A 183 12.638 4.228 -3.094 1.00 0.39 H new ATOM 0 HG LEU A 183 13.187 6.743 -2.507 1.00 0.46 H new ATOM 0 HD11 LEU A 183 14.106 7.942 -4.443 1.00 0.73 H new ATOM 0 HD12 LEU A 183 15.299 6.837 -3.720 1.00 0.73 H new ATOM 0 HD13 LEU A 183 14.470 6.387 -5.228 1.00 0.73 H new ATOM 0 HD21 LEU A 183 11.717 7.404 -4.377 1.00 0.81 H new ATOM 0 HD22 LEU A 183 11.995 5.822 -5.145 1.00 0.81 H new ATOM 0 HD23 LEU A 183 11.146 5.917 -3.584 1.00 0.81 H new ATOM 1972 N THR A 184 14.676 2.175 -1.239 1.00 0.37 N ATOM 1973 CA THR A 184 15.098 0.785 -1.325 1.00 0.41 C ATOM 1974 C THR A 184 14.031 -0.135 -0.727 1.00 0.41 C ATOM 1975 O THR A 184 13.460 0.156 0.326 1.00 0.45 O ATOM 1976 CB THR A 184 16.450 0.568 -0.608 1.00 0.45 C ATOM 1977 OG1 THR A 184 17.474 1.320 -1.275 1.00 0.51 O ATOM 1978 CG2 THR A 184 16.841 -0.900 -0.577 1.00 0.49 C ATOM 0 H THR A 184 14.069 2.381 -0.445 1.00 0.37 H new ATOM 0 HA THR A 184 15.228 0.539 -2.379 1.00 0.41 H new ATOM 0 HB THR A 184 16.341 0.910 0.421 1.00 0.45 H new ATOM 0 HG1 THR A 184 17.083 1.805 -2.032 1.00 0.51 H new ATOM 0 HG21 THR A 184 17.797 -1.011 -0.065 1.00 0.49 H new ATOM 0 HG22 THR A 184 16.077 -1.469 -0.047 1.00 0.49 H new ATOM 0 HG23 THR A 184 16.930 -1.274 -1.597 1.00 0.49 H new ATOM 1986 N MET A 185 13.750 -1.229 -1.416 1.00 0.49 N ATOM 1987 CA MET A 185 12.761 -2.189 -0.952 1.00 0.51 C ATOM 1988 C MET A 185 13.380 -3.576 -0.884 1.00 0.60 C ATOM 1989 O MET A 185 14.097 -3.988 -1.797 1.00 0.90 O ATOM 1990 CB MET A 185 11.549 -2.205 -1.885 1.00 0.77 C ATOM 1991 CG MET A 185 10.438 -3.145 -1.442 1.00 1.01 C ATOM 1992 SD MET A 185 9.096 -3.253 -2.644 1.00 1.35 S ATOM 1993 CE MET A 185 8.508 -1.561 -2.670 1.00 1.03 C ATOM 0 H MET A 185 14.194 -1.475 -2.301 1.00 0.49 H new ATOM 0 HA MET A 185 12.429 -1.893 0.043 1.00 0.51 H new ATOM 0 HB2 MET A 185 11.147 -1.194 -1.959 1.00 0.77 H new ATOM 0 HB3 MET A 185 11.877 -2.492 -2.884 1.00 0.77 H new ATOM 0 HG2 MET A 185 10.853 -4.139 -1.277 1.00 1.01 H new ATOM 0 HG3 MET A 185 10.038 -2.804 -0.487 1.00 1.01 H new ATOM 0 HE1 MET A 185 7.538 -1.520 -3.167 1.00 1.03 H new ATOM 0 HE2 MET A 185 8.408 -1.195 -1.648 1.00 1.03 H new ATOM 0 HE3 MET A 185 9.219 -0.937 -3.211 1.00 1.03 H new ATOM 2003 N CYS A 186 13.114 -4.280 0.198 1.00 0.55 N ATOM 2004 CA CYS A 186 13.619 -5.628 0.372 1.00 0.81 C ATOM 2005 C CYS A 186 12.459 -6.614 0.406 1.00 0.71 C ATOM 2006 O CYS A 186 11.339 -6.254 0.780 1.00 0.65 O ATOM 2007 CB CYS A 186 14.434 -5.720 1.663 1.00 1.10 C ATOM 2008 SG CYS A 186 15.399 -7.240 1.829 1.00 1.73 S ATOM 0 H CYS A 186 12.548 -3.939 0.975 1.00 0.55 H new ATOM 0 HA CYS A 186 14.268 -5.878 -0.467 1.00 0.81 H new ATOM 0 HB2 CYS A 186 15.111 -4.867 1.713 1.00 1.10 H new ATOM 0 HB3 CYS A 186 13.756 -5.639 2.513 1.00 1.10 H new ATOM 0 HG CYS A 186 16.053 -7.218 2.952 1.00 1.73 H new ATOM 2014 N GLN A 187 12.720 -7.844 0.003 1.00 0.81 N ATOM 2015 CA GLN A 187 11.702 -8.876 0.023 1.00 0.79 C ATOM 2016 C GLN A 187 12.128 -9.976 0.992 1.00 0.87 C ATOM 2017 O GLN A 187 13.024 -10.769 0.693 1.00 1.01 O ATOM 2018 CB GLN A 187 11.493 -9.426 -1.395 1.00 0.95 C ATOM 2019 CG GLN A 187 10.083 -9.934 -1.675 1.00 1.08 C ATOM 2020 CD GLN A 187 9.763 -11.241 -0.983 1.00 1.47 C ATOM 2021 OE1 GLN A 187 10.001 -12.317 -1.526 1.00 1.93 O ATOM 2022 NE2 GLN A 187 9.207 -11.160 0.213 1.00 1.60 N ATOM 0 H GLN A 187 13.629 -8.152 -0.342 1.00 0.81 H new ATOM 0 HA GLN A 187 10.752 -8.464 0.363 1.00 0.79 H new ATOM 0 HB2 GLN A 187 11.733 -8.642 -2.114 1.00 0.95 H new ATOM 0 HB3 GLN A 187 12.199 -10.240 -1.563 1.00 0.95 H new ATOM 0 HG2 GLN A 187 9.364 -9.179 -1.358 1.00 1.08 H new ATOM 0 HG3 GLN A 187 9.958 -10.061 -2.750 1.00 1.08 H new ATOM 0 HE21 GLN A 187 9.025 -10.247 0.630 1.00 1.60 H new ATOM 0 HE22 GLN A 187 8.960 -12.010 0.719 1.00 1.60 H new ATOM 2031 N ILE A 188 11.495 -10.001 2.157 1.00 0.82 N ATOM 2032 CA ILE A 188 11.852 -10.938 3.216 1.00 0.92 C ATOM 2033 C ILE A 188 10.603 -11.555 3.826 1.00 0.95 C ATOM 2034 O ILE A 188 9.565 -10.902 3.906 1.00 0.87 O ATOM 2035 CB ILE A 188 12.666 -10.261 4.343 1.00 0.99 C ATOM 2036 CG1 ILE A 188 11.922 -9.041 4.887 1.00 0.96 C ATOM 2037 CG2 ILE A 188 14.038 -9.856 3.840 1.00 1.07 C ATOM 2038 CD1 ILE A 188 12.551 -8.442 6.126 1.00 1.11 C ATOM 0 H ILE A 188 10.724 -9.377 2.395 1.00 0.82 H new ATOM 0 HA ILE A 188 12.469 -11.709 2.754 1.00 0.92 H new ATOM 0 HB ILE A 188 12.790 -10.981 5.152 1.00 0.99 H new ATOM 0 HG12 ILE A 188 11.877 -8.279 4.109 1.00 0.96 H new ATOM 0 HG13 ILE A 188 10.895 -9.326 5.114 1.00 0.96 H new ATOM 0 HG21 ILE A 188 14.596 -9.381 4.647 1.00 1.07 H new ATOM 0 HG22 ILE A 188 14.576 -10.740 3.498 1.00 1.07 H new ATOM 0 HG23 ILE A 188 13.930 -9.155 3.013 1.00 1.07 H new ATOM 0 HD11 ILE A 188 11.966 -7.581 6.451 1.00 1.11 H new ATOM 0 HD12 ILE A 188 12.572 -9.188 6.921 1.00 1.11 H new ATOM 0 HD13 ILE A 188 13.569 -8.125 5.900 1.00 1.11 H new ATOM 2050 N SER A 189 10.701 -12.826 4.206 1.00 1.12 N ATOM 2051 CA SER A 189 9.616 -13.533 4.886 1.00 1.23 C ATOM 2052 C SER A 189 8.333 -13.524 4.056 1.00 1.13 C ATOM 2053 O SER A 189 7.228 -13.531 4.601 1.00 1.15 O ATOM 2054 CB SER A 189 9.368 -12.915 6.266 1.00 1.31 C ATOM 2055 OG SER A 189 10.549 -12.935 7.056 1.00 1.86 O ATOM 0 H SER A 189 11.533 -13.396 4.052 1.00 1.12 H new ATOM 0 HA SER A 189 9.918 -14.573 5.011 1.00 1.23 H new ATOM 0 HB2 SER A 189 9.021 -11.888 6.151 1.00 1.31 H new ATOM 0 HB3 SER A 189 8.576 -13.463 6.776 1.00 1.31 H new ATOM 0 HG SER A 189 10.364 -12.534 7.931 1.00 1.86 H new ATOM 2061 N GLU A 190 8.505 -13.492 2.733 1.00 1.11 N ATOM 2062 CA GLU A 190 7.394 -13.532 1.783 1.00 1.13 C ATOM 2063 C GLU A 190 6.501 -12.287 1.915 1.00 0.96 C ATOM 2064 O GLU A 190 5.368 -12.263 1.436 1.00 1.05 O ATOM 2065 CB GLU A 190 6.591 -14.822 1.984 1.00 1.34 C ATOM 2066 CG GLU A 190 5.809 -15.272 0.763 1.00 1.74 C ATOM 2067 CD GLU A 190 5.277 -16.680 0.917 1.00 2.26 C ATOM 2068 OE1 GLU A 190 6.077 -17.639 0.859 1.00 2.66 O ATOM 2069 OE2 GLU A 190 4.048 -16.837 1.092 1.00 2.83 O ATOM 0 H GLU A 190 9.422 -13.437 2.290 1.00 1.11 H new ATOM 0 HA GLU A 190 7.797 -13.527 0.770 1.00 1.13 H new ATOM 0 HB2 GLU A 190 7.275 -15.619 2.276 1.00 1.34 H new ATOM 0 HB3 GLU A 190 5.897 -14.678 2.812 1.00 1.34 H new ATOM 0 HG2 GLU A 190 4.978 -14.587 0.592 1.00 1.74 H new ATOM 0 HG3 GLU A 190 6.450 -15.221 -0.117 1.00 1.74 H new ATOM 2076 N GLN A 191 7.029 -11.249 2.556 1.00 0.81 N ATOM 2077 CA GLN A 191 6.308 -9.993 2.704 1.00 0.71 C ATOM 2078 C GLN A 191 7.146 -8.838 2.164 1.00 0.61 C ATOM 2079 O GLN A 191 8.339 -8.993 1.894 1.00 0.65 O ATOM 2080 CB GLN A 191 5.940 -9.749 4.173 1.00 0.78 C ATOM 2081 CG GLN A 191 7.134 -9.589 5.099 1.00 0.87 C ATOM 2082 CD GLN A 191 6.732 -9.284 6.529 1.00 1.15 C ATOM 2083 OE1 GLN A 191 7.450 -8.591 7.252 1.00 1.75 O ATOM 2084 NE2 GLN A 191 5.583 -9.792 6.947 1.00 1.46 N ATOM 0 H GLN A 191 7.956 -11.255 2.982 1.00 0.81 H new ATOM 0 HA GLN A 191 5.385 -10.054 2.128 1.00 0.71 H new ATOM 0 HB2 GLN A 191 5.323 -8.853 4.237 1.00 0.78 H new ATOM 0 HB3 GLN A 191 5.331 -10.581 4.526 1.00 0.78 H new ATOM 0 HG2 GLN A 191 7.727 -10.503 5.080 1.00 0.87 H new ATOM 0 HG3 GLN A 191 7.772 -8.787 4.727 1.00 0.87 H new ATOM 0 HE21 GLN A 191 5.018 -10.361 6.317 1.00 1.46 H new ATOM 0 HE22 GLN A 191 5.263 -9.614 7.899 1.00 1.46 H new ATOM 2093 N ILE A 192 6.511 -7.686 1.996 1.00 0.56 N ATOM 2094 CA ILE A 192 7.173 -6.520 1.423 1.00 0.50 C ATOM 2095 C ILE A 192 7.807 -5.664 2.515 1.00 0.47 C ATOM 2096 O ILE A 192 7.158 -5.322 3.509 1.00 0.61 O ATOM 2097 CB ILE A 192 6.183 -5.659 0.606 1.00 0.65 C ATOM 2098 CG1 ILE A 192 5.460 -6.519 -0.436 1.00 0.89 C ATOM 2099 CG2 ILE A 192 6.909 -4.504 -0.070 1.00 0.64 C ATOM 2100 CD1 ILE A 192 6.390 -7.231 -1.394 1.00 1.01 C ATOM 0 H ILE A 192 5.535 -7.533 2.249 1.00 0.56 H new ATOM 0 HA ILE A 192 7.953 -6.886 0.756 1.00 0.50 H new ATOM 0 HB ILE A 192 5.442 -5.246 1.290 1.00 0.65 H new ATOM 0 HG12 ILE A 192 4.848 -7.260 0.079 1.00 0.89 H new ATOM 0 HG13 ILE A 192 4.781 -5.886 -1.007 1.00 0.89 H new ATOM 0 HG21 ILE A 192 6.195 -3.910 -0.640 1.00 0.64 H new ATOM 0 HG22 ILE A 192 7.380 -3.877 0.687 1.00 0.64 H new ATOM 0 HG23 ILE A 192 7.672 -4.897 -0.742 1.00 0.64 H new ATOM 0 HD11 ILE A 192 5.804 -7.819 -2.101 1.00 1.01 H new ATOM 0 HD12 ILE A 192 6.984 -6.497 -1.938 1.00 1.01 H new ATOM 0 HD13 ILE A 192 7.053 -7.891 -0.835 1.00 1.01 H new ATOM 2112 N TYR A 193 9.073 -5.319 2.329 1.00 0.48 N ATOM 2113 CA TYR A 193 9.813 -4.547 3.316 1.00 0.68 C ATOM 2114 C TYR A 193 10.335 -3.249 2.700 1.00 0.50 C ATOM 2115 O TYR A 193 11.059 -3.269 1.708 1.00 0.47 O ATOM 2116 CB TYR A 193 10.977 -5.388 3.855 1.00 1.05 C ATOM 2117 CG TYR A 193 11.687 -4.795 5.053 1.00 1.54 C ATOM 2118 CD1 TYR A 193 12.791 -3.967 4.885 1.00 2.35 C ATOM 2119 CD2 TYR A 193 11.249 -5.048 6.347 1.00 1.86 C ATOM 2120 CE1 TYR A 193 13.435 -3.409 5.971 1.00 3.17 C ATOM 2121 CE2 TYR A 193 11.892 -4.494 7.440 1.00 2.49 C ATOM 2122 CZ TYR A 193 13.005 -3.737 7.264 1.00 3.09 C ATOM 2123 OH TYR A 193 13.626 -3.118 8.332 1.00 3.94 O ATOM 0 H TYR A 193 9.612 -5.564 1.498 1.00 0.48 H new ATOM 0 HA TYR A 193 9.146 -4.288 4.138 1.00 0.68 H new ATOM 0 HB2 TYR A 193 10.600 -6.374 4.125 1.00 1.05 H new ATOM 0 HB3 TYR A 193 11.703 -5.533 3.055 1.00 1.05 H new ATOM 0 HD1 TYR A 193 13.151 -3.757 3.889 1.00 2.35 H new ATOM 0 HD2 TYR A 193 10.393 -5.688 6.502 1.00 1.86 H new ATOM 0 HE1 TYR A 193 14.260 -2.728 5.826 1.00 3.17 H new ATOM 0 HE2 TYR A 193 11.508 -4.664 8.435 1.00 2.49 H new ATOM 0 HH TYR A 193 13.230 -3.436 9.170 1.00 3.94 H new ATOM 2133 N TYR A 194 9.965 -2.125 3.293 1.00 0.49 N ATOM 2134 CA TYR A 194 10.441 -0.823 2.839 1.00 0.41 C ATOM 2135 C TYR A 194 11.577 -0.374 3.738 1.00 0.40 C ATOM 2136 O TYR A 194 11.360 -0.125 4.915 1.00 0.49 O ATOM 2137 CB TYR A 194 9.312 0.218 2.895 1.00 0.56 C ATOM 2138 CG TYR A 194 8.196 -0.008 1.900 1.00 0.59 C ATOM 2139 CD1 TYR A 194 7.366 -1.120 1.997 1.00 0.80 C ATOM 2140 CD2 TYR A 194 7.972 0.887 0.862 1.00 0.78 C ATOM 2141 CE1 TYR A 194 6.349 -1.331 1.085 1.00 0.89 C ATOM 2142 CE2 TYR A 194 6.957 0.682 -0.052 1.00 0.85 C ATOM 2143 CZ TYR A 194 6.138 -0.418 0.076 1.00 0.80 C ATOM 2144 OH TYR A 194 5.141 -0.633 -0.846 1.00 0.92 O ATOM 0 H TYR A 194 9.334 -2.086 4.093 1.00 0.49 H new ATOM 0 HA TYR A 194 10.783 -0.912 1.808 1.00 0.41 H new ATOM 0 HB2 TYR A 194 8.890 0.222 3.900 1.00 0.56 H new ATOM 0 HB3 TYR A 194 9.738 1.206 2.724 1.00 0.56 H new ATOM 0 HD1 TYR A 194 7.519 -1.829 2.797 1.00 0.80 H new ATOM 0 HD2 TYR A 194 8.603 1.759 0.768 1.00 0.78 H new ATOM 0 HE1 TYR A 194 5.723 -2.208 1.163 1.00 0.89 H new ATOM 0 HE2 TYR A 194 6.806 1.380 -0.862 1.00 0.85 H new ATOM 0 HH TYR A 194 5.125 0.106 -1.489 1.00 0.92 H new ATOM 2154 N LYS A 195 12.777 -0.277 3.195 1.00 0.37 N ATOM 2155 CA LYS A 195 13.935 0.086 4.000 1.00 0.38 C ATOM 2156 C LYS A 195 14.419 1.473 3.626 1.00 0.39 C ATOM 2157 O LYS A 195 14.713 1.744 2.462 1.00 0.43 O ATOM 2158 CB LYS A 195 15.061 -0.944 3.827 1.00 0.40 C ATOM 2159 CG LYS A 195 16.261 -0.707 4.740 1.00 0.43 C ATOM 2160 CD LYS A 195 17.315 0.189 4.099 1.00 0.46 C ATOM 2161 CE LYS A 195 18.095 -0.534 3.011 1.00 0.53 C ATOM 2162 NZ LYS A 195 18.874 -1.682 3.551 1.00 1.11 N ATOM 0 H LYS A 195 12.977 -0.442 2.209 1.00 0.37 H new ATOM 0 HA LYS A 195 13.639 0.092 5.049 1.00 0.38 H new ATOM 0 HB2 LYS A 195 14.662 -1.940 4.019 1.00 0.40 H new ATOM 0 HB3 LYS A 195 15.397 -0.930 2.790 1.00 0.40 H new ATOM 0 HG2 LYS A 195 15.921 -0.254 5.671 1.00 0.43 H new ATOM 0 HG3 LYS A 195 16.712 -1.665 4.998 1.00 0.43 H new ATOM 0 HD2 LYS A 195 16.832 1.069 3.674 1.00 0.46 H new ATOM 0 HD3 LYS A 195 18.005 0.542 4.865 1.00 0.46 H new ATOM 0 HE2 LYS A 195 17.405 -0.892 2.247 1.00 0.53 H new ATOM 0 HE3 LYS A 195 18.773 0.167 2.524 1.00 0.53 H new ATOM 0 HZ1 LYS A 195 19.610 -1.953 2.869 1.00 1.11 H new ATOM 0 HZ2 LYS A 195 19.319 -1.407 4.450 1.00 1.11 H new ATOM 0 HZ3 LYS A 195 18.237 -2.488 3.712 1.00 1.11 H new ATOM 2176 N VAL A 196 14.499 2.352 4.610 1.00 0.41 N ATOM 2177 CA VAL A 196 14.969 3.699 4.362 1.00 0.45 C ATOM 2178 C VAL A 196 16.461 3.801 4.615 1.00 0.43 C ATOM 2179 O VAL A 196 17.040 3.067 5.418 1.00 0.41 O ATOM 2180 CB VAL A 196 14.237 4.757 5.191 1.00 0.51 C ATOM 2181 CG1 VAL A 196 14.292 6.088 4.462 1.00 0.70 C ATOM 2182 CG2 VAL A 196 12.797 4.336 5.462 1.00 0.68 C ATOM 0 H VAL A 196 14.247 2.158 5.579 1.00 0.41 H new ATOM 0 HA VAL A 196 14.753 3.904 3.313 1.00 0.45 H new ATOM 0 HB VAL A 196 14.730 4.861 6.158 1.00 0.51 H new ATOM 0 HG11 VAL A 196 13.772 6.846 5.048 1.00 0.70 H new ATOM 0 HG12 VAL A 196 15.332 6.385 4.325 1.00 0.70 H new ATOM 0 HG13 VAL A 196 13.812 5.990 3.488 1.00 0.70 H new ATOM 0 HG21 VAL A 196 12.298 5.104 6.053 1.00 0.68 H new ATOM 0 HG22 VAL A 196 12.271 4.207 4.516 1.00 0.68 H new ATOM 0 HG23 VAL A 196 12.790 3.395 6.012 1.00 0.68 H new ATOM 2192 N ILE A 197 17.055 4.727 3.902 1.00 0.47 N ATOM 2193 CA ILE A 197 18.494 4.799 3.721 1.00 0.45 C ATOM 2194 C ILE A 197 19.126 5.853 4.608 1.00 0.45 C ATOM 2195 O ILE A 197 20.039 5.576 5.380 1.00 0.49 O ATOM 2196 CB ILE A 197 18.800 5.173 2.264 1.00 0.47 C ATOM 2197 CG1 ILE A 197 17.624 4.781 1.369 1.00 0.60 C ATOM 2198 CG2 ILE A 197 20.084 4.513 1.803 1.00 0.47 C ATOM 2199 CD1 ILE A 197 17.384 3.297 1.278 1.00 0.62 C ATOM 0 H ILE A 197 16.546 5.468 3.420 1.00 0.47 H new ATOM 0 HA ILE A 197 18.905 3.824 3.983 1.00 0.45 H new ATOM 0 HB ILE A 197 18.940 6.252 2.195 1.00 0.47 H new ATOM 0 HG12 ILE A 197 16.720 5.261 1.745 1.00 0.60 H new ATOM 0 HG13 ILE A 197 17.799 5.171 0.366 1.00 0.60 H new ATOM 0 HG21 ILE A 197 20.284 4.790 0.768 1.00 0.47 H new ATOM 0 HG22 ILE A 197 20.910 4.844 2.433 1.00 0.47 H new ATOM 0 HG23 ILE A 197 19.983 3.430 1.876 1.00 0.47 H new ATOM 0 HD11 ILE A 197 16.533 3.105 0.624 1.00 0.62 H new ATOM 0 HD12 ILE A 197 18.270 2.809 0.872 1.00 0.62 H new ATOM 0 HD13 ILE A 197 17.175 2.901 2.272 1.00 0.62 H new ATOM 2211 N LYS A 198 18.639 7.069 4.461 1.00 0.47 N ATOM 2212 CA LYS A 198 19.188 8.215 5.173 1.00 0.49 C ATOM 2213 C LYS A 198 18.067 9.138 5.621 1.00 0.48 C ATOM 2214 O LYS A 198 16.952 9.057 5.104 1.00 0.49 O ATOM 2215 CB LYS A 198 20.194 8.963 4.284 1.00 0.59 C ATOM 2216 CG LYS A 198 19.663 9.330 2.912 1.00 0.75 C ATOM 2217 CD LYS A 198 19.018 10.705 2.907 1.00 0.94 C ATOM 2218 CE LYS A 198 18.242 10.925 1.628 1.00 0.98 C ATOM 2219 NZ LYS A 198 17.811 12.337 1.461 1.00 1.38 N ATOM 0 H LYS A 198 17.855 7.294 3.848 1.00 0.47 H new ATOM 0 HA LYS A 198 19.716 7.862 6.059 1.00 0.49 H new ATOM 0 HB2 LYS A 198 20.506 9.874 4.795 1.00 0.59 H new ATOM 0 HB3 LYS A 198 21.084 8.345 4.163 1.00 0.59 H new ATOM 0 HG2 LYS A 198 20.478 9.308 2.189 1.00 0.75 H new ATOM 0 HG3 LYS A 198 18.934 8.585 2.593 1.00 0.75 H new ATOM 0 HD2 LYS A 198 18.352 10.803 3.764 1.00 0.94 H new ATOM 0 HD3 LYS A 198 19.785 11.473 3.010 1.00 0.94 H new ATOM 0 HE2 LYS A 198 18.859 10.634 0.778 1.00 0.98 H new ATOM 0 HE3 LYS A 198 17.365 10.278 1.623 1.00 0.98 H new ATOM 0 HZ1 LYS A 198 17.283 12.436 0.570 1.00 1.38 H new ATOM 0 HZ2 LYS A 198 17.200 12.610 2.257 1.00 1.38 H new ATOM 0 HZ3 LYS A 198 18.647 12.955 1.439 1.00 1.38 H new ATOM 2233 N ASP A 199 18.382 10.016 6.569 1.00 0.52 N ATOM 2234 CA ASP A 199 17.382 10.880 7.193 1.00 0.56 C ATOM 2235 C ASP A 199 16.661 11.750 6.177 1.00 0.55 C ATOM 2236 O ASP A 199 17.248 12.652 5.575 1.00 0.67 O ATOM 2237 CB ASP A 199 18.009 11.761 8.278 1.00 0.67 C ATOM 2238 CG ASP A 199 18.101 11.056 9.617 1.00 1.56 C ATOM 2239 OD1 ASP A 199 19.083 10.320 9.842 1.00 2.23 O ATOM 2240 OD2 ASP A 199 17.190 11.240 10.455 1.00 2.13 O ATOM 0 H ASP A 199 19.329 10.149 6.925 1.00 0.52 H new ATOM 0 HA ASP A 199 16.647 10.219 7.653 1.00 0.56 H new ATOM 0 HB2 ASP A 199 19.007 12.066 7.962 1.00 0.67 H new ATOM 0 HB3 ASP A 199 17.418 12.670 8.390 1.00 0.67 H new ATOM 2245 N ILE A 200 15.382 11.459 5.990 1.00 0.52 N ATOM 2246 CA ILE A 200 14.528 12.252 5.122 1.00 0.55 C ATOM 2247 C ILE A 200 14.279 13.626 5.716 1.00 0.54 C ATOM 2248 O ILE A 200 14.213 13.793 6.936 1.00 0.57 O ATOM 2249 CB ILE A 200 13.166 11.550 4.862 1.00 0.63 C ATOM 2250 CG1 ILE A 200 13.308 10.470 3.794 1.00 0.69 C ATOM 2251 CG2 ILE A 200 12.078 12.541 4.460 1.00 0.80 C ATOM 2252 CD1 ILE A 200 13.871 10.986 2.484 1.00 0.88 C ATOM 0 H ILE A 200 14.910 10.671 6.433 1.00 0.52 H new ATOM 0 HA ILE A 200 15.052 12.358 4.172 1.00 0.55 H new ATOM 0 HB ILE A 200 12.864 11.086 5.801 1.00 0.63 H new ATOM 0 HG12 ILE A 200 13.955 9.679 4.172 1.00 0.69 H new ATOM 0 HG13 ILE A 200 12.332 10.022 3.609 1.00 0.69 H new ATOM 0 HG21 ILE A 200 11.144 12.006 4.288 1.00 0.80 H new ATOM 0 HG22 ILE A 200 11.937 13.270 5.258 1.00 0.80 H new ATOM 0 HG23 ILE A 200 12.374 13.056 3.546 1.00 0.80 H new ATOM 0 HD11 ILE A 200 13.945 10.165 1.771 1.00 0.88 H new ATOM 0 HD12 ILE A 200 13.212 11.757 2.083 1.00 0.88 H new ATOM 0 HD13 ILE A 200 14.861 11.408 2.655 1.00 0.88 H new ATOM 2264 N GLU A 201 14.169 14.605 4.842 1.00 0.55 N ATOM 2265 CA GLU A 201 13.766 15.939 5.235 1.00 0.57 C ATOM 2266 C GLU A 201 12.254 16.057 5.084 1.00 0.49 C ATOM 2267 O GLU A 201 11.731 15.912 3.977 1.00 0.55 O ATOM 2268 CB GLU A 201 14.488 16.963 4.364 1.00 0.68 C ATOM 2269 CG GLU A 201 15.997 16.884 4.505 1.00 0.81 C ATOM 2270 CD GLU A 201 16.722 17.363 3.269 1.00 1.29 C ATOM 2271 OE1 GLU A 201 17.006 18.576 3.186 1.00 1.51 O ATOM 2272 OE2 GLU A 201 17.002 16.539 2.374 1.00 2.06 O ATOM 0 H GLU A 201 14.355 14.499 3.845 1.00 0.55 H new ATOM 0 HA GLU A 201 14.032 16.130 6.275 1.00 0.57 H new ATOM 0 HB2 GLU A 201 14.215 16.805 3.321 1.00 0.68 H new ATOM 0 HB3 GLU A 201 14.153 17.965 4.633 1.00 0.68 H new ATOM 0 HG2 GLU A 201 16.310 17.483 5.360 1.00 0.81 H new ATOM 0 HG3 GLU A 201 16.285 15.854 4.714 1.00 0.81 H new ATOM 2279 N PRO A 202 11.540 16.298 6.200 1.00 0.43 N ATOM 2280 CA PRO A 202 10.071 16.311 6.239 1.00 0.43 C ATOM 2281 C PRO A 202 9.433 17.041 5.061 1.00 0.45 C ATOM 2282 O PRO A 202 9.691 18.221 4.827 1.00 0.51 O ATOM 2283 CB PRO A 202 9.774 17.043 7.543 1.00 0.49 C ATOM 2284 CG PRO A 202 10.915 16.687 8.430 1.00 0.49 C ATOM 2285 CD PRO A 202 12.119 16.571 7.532 1.00 0.45 C ATOM 0 HA PRO A 202 9.661 15.303 6.179 1.00 0.43 H new ATOM 0 HB2 PRO A 202 9.710 18.120 7.389 1.00 0.49 H new ATOM 0 HB3 PRO A 202 8.823 16.725 7.970 1.00 0.49 H new ATOM 0 HG2 PRO A 202 11.069 17.450 9.193 1.00 0.49 H new ATOM 0 HG3 PRO A 202 10.726 15.749 8.952 1.00 0.49 H new ATOM 0 HD2 PRO A 202 12.708 17.488 7.532 1.00 0.45 H new ATOM 0 HD3 PRO A 202 12.781 15.767 7.853 1.00 0.45 H new ATOM 2293 N GLY A 203 8.592 16.324 4.326 1.00 0.44 N ATOM 2294 CA GLY A 203 7.919 16.909 3.187 1.00 0.52 C ATOM 2295 C GLY A 203 8.198 16.175 1.888 1.00 0.54 C ATOM 2296 O GLY A 203 7.646 16.527 0.848 1.00 0.70 O ATOM 0 H GLY A 203 8.365 15.345 4.501 1.00 0.44 H new ATOM 0 HA2 GLY A 203 6.845 16.914 3.371 1.00 0.52 H new ATOM 0 HA3 GLY A 203 8.230 17.949 3.084 1.00 0.52 H new ATOM 2300 N GLU A 204 9.052 15.158 1.938 1.00 0.48 N ATOM 2301 CA GLU A 204 9.359 14.370 0.749 1.00 0.51 C ATOM 2302 C GLU A 204 9.402 12.878 1.076 1.00 0.39 C ATOM 2303 O GLU A 204 10.099 12.445 1.995 1.00 0.40 O ATOM 2304 CB GLU A 204 10.684 14.827 0.129 1.00 0.65 C ATOM 2305 CG GLU A 204 11.864 14.768 1.085 1.00 0.71 C ATOM 2306 CD GLU A 204 13.135 15.308 0.475 1.00 0.99 C ATOM 2307 OE1 GLU A 204 13.977 14.502 0.029 1.00 1.16 O ATOM 2308 OE2 GLU A 204 13.305 16.545 0.440 1.00 1.27 O ATOM 0 H GLU A 204 9.541 14.861 2.783 1.00 0.48 H new ATOM 0 HA GLU A 204 8.564 14.531 0.021 1.00 0.51 H new ATOM 0 HB2 GLU A 204 10.901 14.205 -0.739 1.00 0.65 H new ATOM 0 HB3 GLU A 204 10.572 15.850 -0.231 1.00 0.65 H new ATOM 0 HG2 GLU A 204 11.627 15.337 1.984 1.00 0.71 H new ATOM 0 HG3 GLU A 204 12.024 13.735 1.394 1.00 0.71 H new ATOM 2315 N GLU A 205 8.623 12.101 0.343 1.00 0.47 N ATOM 2316 CA GLU A 205 8.571 10.658 0.537 1.00 0.51 C ATOM 2317 C GLU A 205 9.220 9.914 -0.625 1.00 0.43 C ATOM 2318 O GLU A 205 8.682 9.882 -1.726 1.00 0.49 O ATOM 2319 CB GLU A 205 7.119 10.209 0.708 1.00 0.80 C ATOM 2320 CG GLU A 205 6.154 10.848 -0.284 1.00 1.49 C ATOM 2321 CD GLU A 205 5.457 9.832 -1.164 1.00 2.41 C ATOM 2322 OE1 GLU A 205 5.755 9.790 -2.373 1.00 2.84 O ATOM 2323 OE2 GLU A 205 4.610 9.076 -0.644 1.00 2.92 O ATOM 0 H GLU A 205 8.013 12.447 -0.398 1.00 0.47 H new ATOM 0 HA GLU A 205 9.133 10.417 1.439 1.00 0.51 H new ATOM 0 HB2 GLU A 205 7.069 9.125 0.602 1.00 0.80 H new ATOM 0 HB3 GLU A 205 6.793 10.445 1.721 1.00 0.80 H new ATOM 0 HG2 GLU A 205 5.406 11.422 0.263 1.00 1.49 H new ATOM 0 HG3 GLU A 205 6.700 11.552 -0.912 1.00 1.49 H new ATOM 2330 N LEU A 206 10.392 9.334 -0.397 1.00 0.37 N ATOM 2331 CA LEU A 206 11.003 8.497 -1.420 1.00 0.36 C ATOM 2332 C LEU A 206 11.271 7.099 -0.859 1.00 0.36 C ATOM 2333 O LEU A 206 12.283 6.884 -0.201 1.00 0.39 O ATOM 2334 CB LEU A 206 12.337 9.097 -1.920 1.00 0.41 C ATOM 2335 CG LEU A 206 12.330 10.549 -2.428 1.00 0.44 C ATOM 2336 CD1 LEU A 206 11.208 10.787 -3.432 1.00 0.90 C ATOM 2337 CD2 LEU A 206 12.257 11.527 -1.266 1.00 0.84 C ATOM 0 H LEU A 206 10.928 9.424 0.466 1.00 0.37 H new ATOM 0 HA LEU A 206 10.308 8.442 -2.258 1.00 0.36 H new ATOM 0 HB2 LEU A 206 13.059 9.032 -1.106 1.00 0.41 H new ATOM 0 HB3 LEU A 206 12.707 8.463 -2.726 1.00 0.41 H new ATOM 0 HG LEU A 206 13.269 10.723 -2.953 1.00 0.44 H new ATOM 0 HD11 LEU A 206 11.235 11.823 -3.769 1.00 0.90 H new ATOM 0 HD12 LEU A 206 11.339 10.124 -4.287 1.00 0.90 H new ATOM 0 HD13 LEU A 206 10.247 10.584 -2.959 1.00 0.90 H new ATOM 0 HD21 LEU A 206 12.253 12.547 -1.649 1.00 0.84 H new ATOM 0 HD22 LEU A 206 11.344 11.349 -0.698 1.00 0.84 H new ATOM 0 HD23 LEU A 206 13.121 11.386 -0.617 1.00 0.84 H new ATOM 2349 N LEU A 207 10.368 6.160 -1.139 1.00 0.37 N ATOM 2350 CA LEU A 207 10.545 4.745 -0.790 1.00 0.40 C ATOM 2351 C LEU A 207 9.831 3.883 -1.831 1.00 0.43 C ATOM 2352 O LEU A 207 8.618 3.699 -1.761 1.00 0.53 O ATOM 2353 CB LEU A 207 9.945 4.437 0.603 1.00 0.43 C ATOM 2354 CG LEU A 207 10.849 4.661 1.827 1.00 0.45 C ATOM 2355 CD1 LEU A 207 12.275 4.197 1.562 1.00 0.49 C ATOM 2356 CD2 LEU A 207 10.818 6.118 2.273 1.00 0.44 C ATOM 0 H LEU A 207 9.488 6.357 -1.616 1.00 0.37 H new ATOM 0 HA LEU A 207 11.612 4.525 -0.770 1.00 0.40 H new ATOM 0 HB2 LEU A 207 9.051 5.048 0.728 1.00 0.43 H new ATOM 0 HB3 LEU A 207 9.622 3.396 0.608 1.00 0.43 H new ATOM 0 HG LEU A 207 10.454 4.053 2.641 1.00 0.45 H new ATOM 0 HD11 LEU A 207 12.885 4.371 2.449 1.00 0.49 H new ATOM 0 HD12 LEU A 207 12.273 3.133 1.326 1.00 0.49 H new ATOM 0 HD13 LEU A 207 12.689 4.755 0.722 1.00 0.49 H new ATOM 0 HD21 LEU A 207 11.466 6.247 3.140 1.00 0.44 H new ATOM 0 HD22 LEU A 207 11.168 6.755 1.460 1.00 0.44 H new ATOM 0 HD23 LEU A 207 9.798 6.396 2.538 1.00 0.44 H new ATOM 2368 N VAL A 208 10.587 3.306 -2.750 1.00 0.43 N ATOM 2369 CA VAL A 208 10.045 2.487 -3.831 1.00 0.50 C ATOM 2370 C VAL A 208 11.129 1.553 -4.338 1.00 0.57 C ATOM 2371 O VAL A 208 12.315 1.814 -4.139 1.00 0.59 O ATOM 2372 CB VAL A 208 9.565 3.340 -5.037 1.00 0.48 C ATOM 2373 CG1 VAL A 208 8.715 2.528 -5.999 1.00 0.91 C ATOM 2374 CG2 VAL A 208 8.810 4.560 -4.572 1.00 0.88 C ATOM 0 H VAL A 208 11.603 3.391 -2.770 1.00 0.43 H new ATOM 0 HA VAL A 208 9.192 1.943 -3.424 1.00 0.50 H new ATOM 0 HB VAL A 208 10.456 3.666 -5.573 1.00 0.48 H new ATOM 0 HG11 VAL A 208 8.399 3.161 -6.829 1.00 0.91 H new ATOM 0 HG12 VAL A 208 9.299 1.691 -6.383 1.00 0.91 H new ATOM 0 HG13 VAL A 208 7.836 2.149 -5.477 1.00 0.91 H new ATOM 0 HG21 VAL A 208 8.486 5.139 -5.437 1.00 0.88 H new ATOM 0 HG22 VAL A 208 7.939 4.251 -3.995 1.00 0.88 H new ATOM 0 HG23 VAL A 208 9.459 5.174 -3.948 1.00 0.88 H new ATOM 2384 N HIS A 209 10.733 0.472 -4.975 1.00 0.69 N ATOM 2385 CA HIS A 209 11.646 -0.282 -5.809 1.00 0.82 C ATOM 2386 C HIS A 209 10.932 -0.646 -7.094 1.00 0.94 C ATOM 2387 O HIS A 209 9.995 -1.442 -7.082 1.00 1.09 O ATOM 2388 CB HIS A 209 12.168 -1.535 -5.104 1.00 1.02 C ATOM 2389 CG HIS A 209 13.276 -2.210 -5.854 1.00 1.20 C ATOM 2390 ND1 HIS A 209 13.178 -3.514 -6.276 1.00 1.42 N ATOM 2391 CD2 HIS A 209 14.475 -1.712 -6.238 1.00 1.41 C ATOM 2392 CE1 HIS A 209 14.311 -3.774 -6.907 1.00 1.54 C ATOM 2393 NE2 HIS A 209 15.128 -2.713 -6.908 1.00 1.55 N ATOM 0 H HIS A 209 9.786 0.095 -4.932 1.00 0.69 H new ATOM 0 HA HIS A 209 12.518 0.336 -6.025 1.00 0.82 H new ATOM 0 HB2 HIS A 209 12.522 -1.265 -4.109 1.00 1.02 H new ATOM 0 HB3 HIS A 209 11.346 -2.239 -4.970 1.00 1.02 H new ATOM 0 HD2 HIS A 209 14.846 -0.715 -6.052 1.00 1.41 H new ATOM 0 HE1 HIS A 209 14.548 -4.723 -7.364 1.00 1.54 H new ATOM 0 HE2 HIS A 209 16.057 -2.660 -7.327 1.00 1.55 H new ATOM 2401 N VAL A 210 11.349 -0.042 -8.191 1.00 1.14 N ATOM 2402 CA VAL A 210 10.744 -0.331 -9.477 1.00 1.45 C ATOM 2403 C VAL A 210 11.454 -1.510 -10.128 1.00 1.58 C ATOM 2404 O VAL A 210 12.555 -1.383 -10.671 1.00 1.82 O ATOM 2405 CB VAL A 210 10.736 0.907 -10.412 1.00 1.92 C ATOM 2406 CG1 VAL A 210 12.116 1.540 -10.516 1.00 2.56 C ATOM 2407 CG2 VAL A 210 10.208 0.536 -11.791 1.00 2.44 C ATOM 0 H VAL A 210 12.100 0.648 -8.218 1.00 1.14 H new ATOM 0 HA VAL A 210 9.700 -0.596 -9.306 1.00 1.45 H new ATOM 0 HB VAL A 210 10.067 1.647 -9.973 1.00 1.92 H new ATOM 0 HG11 VAL A 210 12.071 2.404 -11.179 1.00 2.56 H new ATOM 0 HG12 VAL A 210 12.446 1.858 -9.527 1.00 2.56 H new ATOM 0 HG13 VAL A 210 12.821 0.812 -10.916 1.00 2.56 H new ATOM 0 HG21 VAL A 210 10.211 1.418 -12.431 1.00 2.44 H new ATOM 0 HG22 VAL A 210 10.844 -0.232 -12.230 1.00 2.44 H new ATOM 0 HG23 VAL A 210 9.190 0.156 -11.701 1.00 2.44 H new