USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=22 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 Single : A 89 SER OG : rot 52:sc= 1.23 USER MOD Single : A 90 SER OG : rot 46:sc= 0.073 USER MOD Single : A 101 LYS NZ :NH3+ -176:sc= 0.754 (180deg=0.697) USER MOD Single : A 103 LYS NZ :NH3+ -172:sc= 0.734 (180deg=0.617) USER MOD Single : A 104 MET CE :methyl -122:sc= -1.95 (180deg=-3.18!) USER MOD Single : A 113 CYS SG : rot -118:sc= -5.56! USER MOD Single : A 167 SER OG : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ -169:sc=-0.00106 (180deg=-0.0983) USER MOD Single : A 171 TYR OH : rot 150:sc= 0 USER MOD Single : A 176 CYS SG : rot 180:sc= -2.26! USER MOD Single : A 177 SER OG : rot -109:sc= 1.33 USER MOD Single : A 178 CYS SG : rot -26:sc= 0.0273 USER MOD Single : A 181 GLN :FLIP amide:sc= -0.324 F(o=-0.98,f=-0.32) USER MOD Single : A 182 ASN : amide:sc= -9.04! C(o=-9!,f=-16!) USER MOD Single : A 184 THR OG1 : rot 180:sc= 0 USER MOD Single : A 185 MET CE :methyl -156:sc= -2.86 (180deg=-3.5) USER MOD Single : A 186 CYS SG : rot 180:sc= -0.401 USER MOD Single : A 187 GLN : amide:sc= -0.717 K(o=-0.72,f=-1.7) USER MOD Single : A 189 SER OG : rot 180:sc= 0 USER MOD Single : A 191 GLN :FLIP amide:sc= -0.229 F(o=-0.75,f=-0.23) USER MOD Single : A 193 TYR OH : rot 180:sc= 0 USER MOD Single : A 194 TYR OH : rot 158:sc= 0.0703 USER MOD Single : A 195 LYS NZ :NH3+ -167:sc= -0.0407 (180deg=-0.209) USER MOD Single : A 198 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 209 HIS :FLIP no HD1:sc= -0.407 F(o=-0.97,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 388 N ILE A 78 -7.298 6.767 2.915 1.00 1.90 N ATOM 389 CA ILE A 78 -6.766 5.548 3.494 1.00 1.74 C ATOM 390 C ILE A 78 -6.112 5.836 4.841 1.00 1.48 C ATOM 391 O ILE A 78 -5.370 6.810 4.977 1.00 1.42 O ATOM 392 CB ILE A 78 -5.750 4.900 2.527 1.00 1.86 C ATOM 393 CG1 ILE A 78 -6.474 4.440 1.259 1.00 2.18 C ATOM 394 CG2 ILE A 78 -5.021 3.735 3.185 1.00 1.84 C ATOM 395 CD1 ILE A 78 -5.551 3.914 0.185 1.00 2.45 C ATOM 0 HA ILE A 78 -7.588 4.851 3.656 1.00 1.74 H new ATOM 0 HB ILE A 78 -4.999 5.644 2.263 1.00 1.86 H new ATOM 0 HG12 ILE A 78 -7.190 3.661 1.523 1.00 2.18 H new ATOM 0 HG13 ILE A 78 -7.046 5.275 0.856 1.00 2.18 H new ATOM 0 HG21 ILE A 78 -4.314 3.302 2.477 1.00 1.84 H new ATOM 0 HG22 ILE A 78 -4.483 4.092 4.063 1.00 1.84 H new ATOM 0 HG23 ILE A 78 -5.744 2.977 3.486 1.00 1.84 H new ATOM 0 HD11 ILE A 78 -6.138 3.608 -0.681 1.00 2.45 H new ATOM 0 HD12 ILE A 78 -4.851 4.697 -0.109 1.00 2.45 H new ATOM 0 HD13 ILE A 78 -4.997 3.057 0.569 1.00 2.45 H new ATOM 407 N PRO A 79 -6.419 5.020 5.863 1.00 1.44 N ATOM 408 CA PRO A 79 -5.823 5.158 7.194 1.00 1.27 C ATOM 409 C PRO A 79 -4.306 5.013 7.160 1.00 1.11 C ATOM 410 O PRO A 79 -3.778 3.958 6.799 1.00 1.23 O ATOM 411 CB PRO A 79 -6.450 4.012 8.001 1.00 1.50 C ATOM 412 CG PRO A 79 -6.987 3.064 6.986 1.00 1.75 C ATOM 413 CD PRO A 79 -7.381 3.907 5.810 1.00 1.70 C ATOM 0 HA PRO A 79 -6.012 6.143 7.621 1.00 1.27 H new ATOM 0 HB2 PRO A 79 -5.709 3.528 8.638 1.00 1.50 H new ATOM 0 HB3 PRO A 79 -7.242 4.378 8.655 1.00 1.50 H new ATOM 0 HG2 PRO A 79 -6.236 2.326 6.704 1.00 1.75 H new ATOM 0 HG3 PRO A 79 -7.843 2.515 7.378 1.00 1.75 H new ATOM 0 HD2 PRO A 79 -7.307 3.354 4.874 1.00 1.70 H new ATOM 0 HD3 PRO A 79 -8.410 4.258 5.892 1.00 1.70 H new ATOM 421 N ILE A 80 -3.613 6.077 7.527 1.00 0.93 N ATOM 422 CA ILE A 80 -2.163 6.080 7.539 1.00 0.82 C ATOM 423 C ILE A 80 -1.660 6.318 8.956 1.00 0.72 C ATOM 424 O ILE A 80 -2.314 7.009 9.741 1.00 0.74 O ATOM 425 CB ILE A 80 -1.559 7.167 6.604 1.00 0.86 C ATOM 426 CG1 ILE A 80 -1.826 8.585 7.135 1.00 0.89 C ATOM 427 CG2 ILE A 80 -2.105 7.025 5.193 1.00 1.01 C ATOM 428 CD1 ILE A 80 -3.237 9.085 6.909 1.00 0.99 C ATOM 0 H ILE A 80 -4.037 6.956 7.823 1.00 0.93 H new ATOM 0 HA ILE A 80 -1.842 5.105 7.172 1.00 0.82 H new ATOM 0 HB ILE A 80 -0.480 7.015 6.583 1.00 0.86 H new ATOM 0 HG12 ILE A 80 -1.614 8.605 8.204 1.00 0.89 H new ATOM 0 HG13 ILE A 80 -1.129 9.275 6.659 1.00 0.89 H new ATOM 0 HG21 ILE A 80 -1.670 7.795 4.555 1.00 1.01 H new ATOM 0 HG22 ILE A 80 -1.848 6.041 4.801 1.00 1.01 H new ATOM 0 HG23 ILE A 80 -3.189 7.137 5.209 1.00 1.01 H new ATOM 0 HD11 ILE A 80 -3.336 10.092 7.315 1.00 0.99 H new ATOM 0 HD12 ILE A 80 -3.450 9.102 5.840 1.00 0.99 H new ATOM 0 HD13 ILE A 80 -3.943 8.422 7.409 1.00 0.99 H new ATOM 440 N PRO A 81 -0.514 5.724 9.315 1.00 0.68 N ATOM 441 CA PRO A 81 0.150 6.018 10.582 1.00 0.67 C ATOM 442 C PRO A 81 0.417 7.512 10.711 1.00 0.64 C ATOM 443 O PRO A 81 0.899 8.140 9.770 1.00 0.61 O ATOM 444 CB PRO A 81 1.468 5.243 10.493 1.00 0.69 C ATOM 445 CG PRO A 81 1.200 4.153 9.514 1.00 0.71 C ATOM 446 CD PRO A 81 0.212 4.713 8.528 1.00 0.73 C ATOM 0 HA PRO A 81 -0.449 5.736 11.448 1.00 0.67 H new ATOM 0 HB2 PRO A 81 2.283 5.885 10.158 1.00 0.69 H new ATOM 0 HB3 PRO A 81 1.757 4.841 11.464 1.00 0.69 H new ATOM 0 HG2 PRO A 81 2.118 3.844 9.014 1.00 0.71 H new ATOM 0 HG3 PRO A 81 0.796 3.272 10.013 1.00 0.71 H new ATOM 0 HD2 PRO A 81 0.711 5.156 7.666 1.00 0.73 H new ATOM 0 HD3 PRO A 81 -0.458 3.942 8.147 1.00 0.73 H new ATOM 454 N ALA A 82 0.103 8.063 11.877 1.00 0.75 N ATOM 455 CA ALA A 82 0.183 9.504 12.118 1.00 0.80 C ATOM 456 C ALA A 82 1.587 10.056 11.888 1.00 0.71 C ATOM 457 O ALA A 82 1.770 11.267 11.759 1.00 0.78 O ATOM 458 CB ALA A 82 -0.272 9.820 13.533 1.00 1.04 C ATOM 0 H ALA A 82 -0.215 7.526 12.684 1.00 0.75 H new ATOM 0 HA ALA A 82 -0.478 9.989 11.399 1.00 0.80 H new ATOM 0 HB1 ALA A 82 -0.209 10.895 13.704 1.00 1.04 H new ATOM 0 HB2 ALA A 82 -1.303 9.491 13.666 1.00 1.04 H new ATOM 0 HB3 ALA A 82 0.369 9.301 14.246 1.00 1.04 H new ATOM 464 N ASP A 83 2.575 9.171 11.848 1.00 0.67 N ATOM 465 CA ASP A 83 3.950 9.574 11.592 1.00 0.70 C ATOM 466 C ASP A 83 4.092 10.099 10.162 1.00 0.55 C ATOM 467 O ASP A 83 4.974 10.907 9.863 1.00 0.60 O ATOM 468 CB ASP A 83 4.905 8.399 11.832 1.00 0.88 C ATOM 469 CG ASP A 83 6.357 8.830 11.883 1.00 1.05 C ATOM 470 OD1 ASP A 83 6.669 9.791 12.619 1.00 1.39 O ATOM 471 OD2 ASP A 83 7.199 8.191 11.223 1.00 1.66 O ATOM 0 H ASP A 83 2.449 8.169 11.990 1.00 0.67 H new ATOM 0 HA ASP A 83 4.212 10.376 12.282 1.00 0.70 H new ATOM 0 HB2 ASP A 83 4.642 7.908 12.769 1.00 0.88 H new ATOM 0 HB3 ASP A 83 4.776 7.663 11.039 1.00 0.88 H new ATOM 476 N PHE A 84 3.191 9.654 9.293 1.00 0.45 N ATOM 477 CA PHE A 84 3.168 10.091 7.903 1.00 0.41 C ATOM 478 C PHE A 84 1.817 10.719 7.593 1.00 0.40 C ATOM 479 O PHE A 84 0.938 10.759 8.457 1.00 0.56 O ATOM 480 CB PHE A 84 3.427 8.912 6.957 1.00 0.42 C ATOM 481 CG PHE A 84 4.675 8.151 7.289 1.00 0.56 C ATOM 482 CD1 PHE A 84 4.618 7.017 8.078 1.00 0.66 C ATOM 483 CD2 PHE A 84 5.904 8.566 6.803 1.00 0.79 C ATOM 484 CE1 PHE A 84 5.762 6.308 8.375 1.00 0.87 C ATOM 485 CE2 PHE A 84 7.053 7.861 7.100 1.00 0.98 C ATOM 486 CZ PHE A 84 6.988 6.759 7.918 1.00 1.00 C ATOM 0 H PHE A 84 2.460 8.984 9.531 1.00 0.45 H new ATOM 0 HA PHE A 84 3.957 10.827 7.753 1.00 0.41 H new ATOM 0 HB2 PHE A 84 2.575 8.233 6.992 1.00 0.42 H new ATOM 0 HB3 PHE A 84 3.497 9.284 5.935 1.00 0.42 H new ATOM 0 HD1 PHE A 84 3.667 6.683 8.466 1.00 0.66 H new ATOM 0 HD2 PHE A 84 5.964 9.450 6.186 1.00 0.79 H new ATOM 0 HE1 PHE A 84 5.702 5.404 8.962 1.00 0.87 H new ATOM 0 HE2 PHE A 84 8.002 8.175 6.690 1.00 0.98 H new ATOM 0 HZ PHE A 84 7.894 6.245 8.204 1.00 1.00 H new ATOM 496 N GLU A 85 1.646 11.220 6.380 1.00 0.39 N ATOM 497 CA GLU A 85 0.383 11.835 6.001 1.00 0.44 C ATOM 498 C GLU A 85 0.184 11.772 4.493 1.00 0.39 C ATOM 499 O GLU A 85 1.087 12.105 3.729 1.00 0.40 O ATOM 500 CB GLU A 85 0.347 13.290 6.478 1.00 0.61 C ATOM 501 CG GLU A 85 -1.030 13.929 6.435 1.00 1.15 C ATOM 502 CD GLU A 85 -1.037 15.319 7.041 1.00 1.60 C ATOM 503 OE1 GLU A 85 -0.583 15.477 8.196 1.00 1.88 O ATOM 504 OE2 GLU A 85 -1.502 16.265 6.370 1.00 2.27 O ATOM 0 H GLU A 85 2.356 11.214 5.648 1.00 0.39 H new ATOM 0 HA GLU A 85 -0.428 11.283 6.477 1.00 0.44 H new ATOM 0 HB2 GLU A 85 0.723 13.334 7.500 1.00 0.61 H new ATOM 0 HB3 GLU A 85 1.027 13.879 5.862 1.00 0.61 H new ATOM 0 HG2 GLU A 85 -1.371 13.984 5.401 1.00 1.15 H new ATOM 0 HG3 GLU A 85 -1.738 13.297 6.971 1.00 1.15 H new ATOM 511 N LEU A 86 -0.996 11.334 4.076 1.00 0.41 N ATOM 512 CA LEU A 86 -1.335 11.284 2.662 1.00 0.43 C ATOM 513 C LEU A 86 -1.843 12.641 2.237 1.00 0.44 C ATOM 514 O LEU A 86 -2.700 13.230 2.893 1.00 0.48 O ATOM 515 CB LEU A 86 -2.387 10.203 2.406 1.00 0.52 C ATOM 516 CG LEU A 86 -2.660 9.858 0.934 1.00 0.59 C ATOM 517 CD1 LEU A 86 -3.229 8.457 0.826 1.00 0.79 C ATOM 518 CD2 LEU A 86 -3.625 10.853 0.301 1.00 0.70 C ATOM 0 H LEU A 86 -1.735 11.008 4.699 1.00 0.41 H new ATOM 0 HA LEU A 86 -0.451 11.031 2.077 1.00 0.43 H new ATOM 0 HB2 LEU A 86 -2.075 9.293 2.919 1.00 0.52 H new ATOM 0 HB3 LEU A 86 -3.324 10.522 2.863 1.00 0.52 H new ATOM 0 HG LEU A 86 -1.713 9.911 0.397 1.00 0.59 H new ATOM 0 HD11 LEU A 86 -3.419 8.221 -0.221 1.00 0.79 H new ATOM 0 HD12 LEU A 86 -2.515 7.742 1.235 1.00 0.79 H new ATOM 0 HD13 LEU A 86 -4.162 8.399 1.386 1.00 0.79 H new ATOM 0 HD21 LEU A 86 -3.797 10.581 -0.740 1.00 0.70 H new ATOM 0 HD22 LEU A 86 -4.571 10.836 0.842 1.00 0.70 H new ATOM 0 HD23 LEU A 86 -3.198 11.855 0.348 1.00 0.70 H new ATOM 530 N ARG A 87 -1.312 13.140 1.146 1.00 0.47 N ATOM 531 CA ARG A 87 -1.609 14.487 0.721 1.00 0.55 C ATOM 532 C ARG A 87 -1.819 14.548 -0.780 1.00 0.61 C ATOM 533 O ARG A 87 -1.154 13.841 -1.538 1.00 0.66 O ATOM 534 CB ARG A 87 -0.458 15.411 1.121 1.00 0.62 C ATOM 535 CG ARG A 87 -0.298 15.617 2.618 1.00 0.69 C ATOM 536 CD ARG A 87 -1.520 16.274 3.213 1.00 1.04 C ATOM 537 NE ARG A 87 -1.688 17.654 2.754 1.00 1.63 N ATOM 538 CZ ARG A 87 -1.696 18.718 3.559 1.00 2.32 C ATOM 539 NH1 ARG A 87 -1.522 18.572 4.869 1.00 2.62 N ATOM 540 NH2 ARG A 87 -1.870 19.930 3.046 1.00 3.21 N ATOM 0 H ARG A 87 -0.671 12.633 0.536 1.00 0.47 H new ATOM 0 HA ARG A 87 -2.529 14.811 1.207 1.00 0.55 H new ATOM 0 HB2 ARG A 87 0.471 15.004 0.723 1.00 0.62 H new ATOM 0 HB3 ARG A 87 -0.609 16.382 0.649 1.00 0.62 H new ATOM 0 HG2 ARG A 87 -0.126 14.656 3.103 1.00 0.69 H new ATOM 0 HG3 ARG A 87 0.580 16.234 2.811 1.00 0.69 H new ATOM 0 HD2 ARG A 87 -2.405 15.695 2.949 1.00 1.04 H new ATOM 0 HD3 ARG A 87 -1.443 16.262 4.300 1.00 1.04 H new ATOM 0 HE ARG A 87 -1.807 17.812 1.753 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -1.381 17.642 5.264 1.00 2.62 H new ATOM 0 HH12 ARG A 87 -1.529 19.390 5.479 1.00 2.62 H new ATOM 0 HH21 ARG A 87 -1.997 20.045 2.040 1.00 3.21 H new ATOM 0 HH22 ARG A 87 -1.877 20.746 3.657 1.00 3.21 H new ATOM 554 N GLU A 88 -2.759 15.380 -1.201 1.00 0.73 N ATOM 555 CA GLU A 88 -2.931 15.667 -2.609 1.00 0.84 C ATOM 556 C GLU A 88 -1.851 16.650 -3.033 1.00 0.87 C ATOM 557 O GLU A 88 -1.866 17.816 -2.629 1.00 0.98 O ATOM 558 CB GLU A 88 -4.331 16.249 -2.852 1.00 1.06 C ATOM 559 CG GLU A 88 -4.552 16.808 -4.251 1.00 1.61 C ATOM 560 CD GLU A 88 -4.466 15.760 -5.338 1.00 1.96 C ATOM 561 OE1 GLU A 88 -5.498 15.132 -5.646 1.00 2.46 O ATOM 562 OE2 GLU A 88 -3.373 15.579 -5.909 1.00 2.21 O ATOM 0 H GLU A 88 -3.412 15.866 -0.586 1.00 0.73 H new ATOM 0 HA GLU A 88 -2.840 14.755 -3.200 1.00 0.84 H new ATOM 0 HB2 GLU A 88 -5.071 15.471 -2.665 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -4.512 17.042 -2.126 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -5.531 17.285 -4.293 1.00 1.61 H new ATOM 0 HG3 GLU A 88 -3.811 17.584 -4.445 1.00 1.61 H new ATOM 569 N SER A 89 -0.915 16.169 -3.833 1.00 0.85 N ATOM 570 CA SER A 89 0.192 16.989 -4.296 1.00 0.95 C ATOM 571 C SER A 89 0.948 16.267 -5.401 1.00 0.90 C ATOM 572 O SER A 89 1.820 15.439 -5.134 1.00 1.11 O ATOM 573 CB SER A 89 1.127 17.314 -3.125 1.00 1.03 C ATOM 574 OG SER A 89 1.477 16.139 -2.412 1.00 1.58 O ATOM 0 H SER A 89 -0.900 15.209 -4.177 1.00 0.85 H new ATOM 0 HA SER A 89 -0.198 17.924 -4.698 1.00 0.95 H new ATOM 0 HB2 SER A 89 2.029 17.799 -3.499 1.00 1.03 H new ATOM 0 HB3 SER A 89 0.641 18.021 -2.452 1.00 1.03 H new ATOM 0 HG SER A 89 1.821 15.467 -3.037 1.00 1.58 H new ATOM 580 N SER A 90 0.592 16.560 -6.639 1.00 0.86 N ATOM 581 CA SER A 90 1.193 15.897 -7.776 1.00 0.88 C ATOM 582 C SER A 90 2.533 16.526 -8.129 1.00 0.87 C ATOM 583 O SER A 90 2.592 17.619 -8.696 1.00 1.02 O ATOM 584 CB SER A 90 0.234 15.956 -8.965 1.00 1.13 C ATOM 585 OG SER A 90 -0.409 17.218 -9.028 1.00 1.86 O ATOM 0 H SER A 90 -0.113 17.256 -6.880 1.00 0.86 H new ATOM 0 HA SER A 90 1.379 14.854 -7.519 1.00 0.88 H new ATOM 0 HB2 SER A 90 0.782 15.775 -9.890 1.00 1.13 H new ATOM 0 HB3 SER A 90 -0.512 15.166 -8.876 1.00 1.13 H new ATOM 0 HG SER A 90 0.253 17.929 -8.901 1.00 1.86 H new ATOM 591 N ILE A 91 3.605 15.837 -7.782 1.00 0.86 N ATOM 592 CA ILE A 91 4.940 16.292 -8.119 1.00 1.01 C ATOM 593 C ILE A 91 5.490 15.456 -9.281 1.00 1.09 C ATOM 594 O ILE A 91 5.588 14.228 -9.191 1.00 1.08 O ATOM 595 CB ILE A 91 5.874 16.258 -6.872 1.00 1.10 C ATOM 596 CG1 ILE A 91 7.262 16.850 -7.182 1.00 1.35 C ATOM 597 CG2 ILE A 91 5.997 14.848 -6.308 1.00 1.07 C ATOM 598 CD1 ILE A 91 8.220 15.898 -7.871 1.00 1.45 C ATOM 0 H ILE A 91 3.576 14.958 -7.266 1.00 0.86 H new ATOM 0 HA ILE A 91 4.896 17.332 -8.443 1.00 1.01 H new ATOM 0 HB ILE A 91 5.412 16.885 -6.110 1.00 1.10 H new ATOM 0 HG12 ILE A 91 7.133 17.731 -7.810 1.00 1.35 H new ATOM 0 HG13 ILE A 91 7.714 17.187 -6.249 1.00 1.35 H new ATOM 0 HG21 ILE A 91 6.655 14.860 -5.439 1.00 1.07 H new ATOM 0 HG22 ILE A 91 5.012 14.487 -6.012 1.00 1.07 H new ATOM 0 HG23 ILE A 91 6.412 14.187 -7.069 1.00 1.07 H new ATOM 0 HD11 ILE A 91 9.170 16.403 -8.048 1.00 1.45 H new ATOM 0 HD12 ILE A 91 8.385 15.026 -7.238 1.00 1.45 H new ATOM 0 HD13 ILE A 91 7.795 15.580 -8.823 1.00 1.45 H new ATOM 610 N PRO A 92 5.804 16.121 -10.409 1.00 1.24 N ATOM 611 CA PRO A 92 6.297 15.463 -11.627 1.00 1.37 C ATOM 612 C PRO A 92 7.490 14.547 -11.372 1.00 1.47 C ATOM 613 O PRO A 92 8.517 14.969 -10.836 1.00 1.61 O ATOM 614 CB PRO A 92 6.708 16.632 -12.524 1.00 1.58 C ATOM 615 CG PRO A 92 5.874 17.775 -12.064 1.00 1.59 C ATOM 616 CD PRO A 92 5.685 17.582 -10.587 1.00 1.37 C ATOM 0 HA PRO A 92 5.537 14.814 -12.062 1.00 1.37 H new ATOM 0 HB2 PRO A 92 7.771 16.852 -12.424 1.00 1.58 H new ATOM 0 HB3 PRO A 92 6.526 16.407 -13.575 1.00 1.58 H new ATOM 0 HG2 PRO A 92 6.365 18.725 -12.274 1.00 1.59 H new ATOM 0 HG3 PRO A 92 4.915 17.791 -12.581 1.00 1.59 H new ATOM 0 HD2 PRO A 92 6.440 18.119 -10.013 1.00 1.37 H new ATOM 0 HD3 PRO A 92 4.713 17.948 -10.256 1.00 1.37 H new ATOM 624 N GLY A 93 7.349 13.295 -11.776 1.00 1.47 N ATOM 625 CA GLY A 93 8.395 12.319 -11.566 1.00 1.62 C ATOM 626 C GLY A 93 8.020 11.303 -10.509 1.00 1.58 C ATOM 627 O GLY A 93 8.456 10.152 -10.566 1.00 1.74 O ATOM 0 H GLY A 93 6.521 12.935 -12.250 1.00 1.47 H new ATOM 0 HA2 GLY A 93 8.605 11.805 -12.504 1.00 1.62 H new ATOM 0 HA3 GLY A 93 9.312 12.829 -11.270 1.00 1.62 H new ATOM 631 N ALA A 94 7.198 11.718 -9.553 1.00 1.40 N ATOM 632 CA ALA A 94 6.730 10.808 -8.518 1.00 1.40 C ATOM 633 C ALA A 94 5.212 10.659 -8.558 1.00 1.27 C ATOM 634 O ALA A 94 4.692 9.598 -8.898 1.00 1.38 O ATOM 635 CB ALA A 94 7.183 11.274 -7.141 1.00 1.41 C ATOM 0 H ALA A 94 6.845 12.672 -9.474 1.00 1.40 H new ATOM 0 HA ALA A 94 7.171 9.830 -8.714 1.00 1.40 H new ATOM 0 HB1 ALA A 94 6.821 10.578 -6.384 1.00 1.41 H new ATOM 0 HB2 ALA A 94 8.272 11.311 -7.109 1.00 1.41 H new ATOM 0 HB3 ALA A 94 6.781 12.267 -6.942 1.00 1.41 H new ATOM 641 N GLY A 95 4.506 11.734 -8.242 1.00 1.09 N ATOM 642 CA GLY A 95 3.061 11.686 -8.186 1.00 1.02 C ATOM 643 C GLY A 95 2.547 12.037 -6.807 1.00 0.91 C ATOM 644 O GLY A 95 3.135 12.874 -6.126 1.00 1.02 O ATOM 0 H GLY A 95 4.912 12.644 -8.022 1.00 1.09 H new ATOM 0 HA2 GLY A 95 2.644 12.378 -8.918 1.00 1.02 H new ATOM 0 HA3 GLY A 95 2.718 10.688 -8.460 1.00 1.02 H new ATOM 648 N LEU A 96 1.448 11.411 -6.398 1.00 0.79 N ATOM 649 CA LEU A 96 0.896 11.634 -5.066 1.00 0.70 C ATOM 650 C LEU A 96 1.462 10.623 -4.087 1.00 0.65 C ATOM 651 O LEU A 96 1.257 9.420 -4.247 1.00 0.99 O ATOM 652 CB LEU A 96 -0.627 11.513 -5.077 1.00 0.77 C ATOM 653 CG LEU A 96 -1.309 12.106 -6.299 1.00 1.35 C ATOM 654 CD1 LEU A 96 -2.807 11.843 -6.249 1.00 2.05 C ATOM 655 CD2 LEU A 96 -1.025 13.589 -6.371 1.00 2.31 C ATOM 0 H LEU A 96 0.923 10.747 -6.968 1.00 0.79 H new ATOM 0 HA LEU A 96 1.171 12.643 -4.758 1.00 0.70 H new ATOM 0 HB2 LEU A 96 -0.893 10.458 -5.007 1.00 0.77 H new ATOM 0 HB3 LEU A 96 -1.022 12.001 -4.186 1.00 0.77 H new ATOM 0 HG LEU A 96 -0.913 11.631 -7.197 1.00 1.35 H new ATOM 0 HD11 LEU A 96 -3.282 12.274 -7.131 1.00 2.05 H new ATOM 0 HD12 LEU A 96 -2.987 10.768 -6.228 1.00 2.05 H new ATOM 0 HD13 LEU A 96 -3.227 12.299 -5.352 1.00 2.05 H new ATOM 0 HD21 LEU A 96 -1.515 14.011 -7.248 1.00 2.31 H new ATOM 0 HD22 LEU A 96 -1.405 14.076 -5.473 1.00 2.31 H new ATOM 0 HD23 LEU A 96 0.051 13.750 -6.444 1.00 2.31 H new ATOM 667 N GLY A 97 2.162 11.113 -3.082 1.00 0.59 N ATOM 668 CA GLY A 97 2.724 10.243 -2.077 1.00 0.57 C ATOM 669 C GLY A 97 2.379 10.712 -0.684 1.00 0.52 C ATOM 670 O GLY A 97 1.675 11.710 -0.518 1.00 0.55 O ATOM 0 H GLY A 97 2.352 12.105 -2.943 1.00 0.59 H new ATOM 0 HA2 GLY A 97 2.352 9.229 -2.223 1.00 0.57 H new ATOM 0 HA3 GLY A 97 3.807 10.205 -2.192 1.00 0.57 H new ATOM 674 N VAL A 98 2.855 9.994 0.320 1.00 0.48 N ATOM 675 CA VAL A 98 2.687 10.428 1.694 1.00 0.46 C ATOM 676 C VAL A 98 3.902 11.244 2.105 1.00 0.47 C ATOM 677 O VAL A 98 5.002 11.009 1.613 1.00 0.67 O ATOM 678 CB VAL A 98 2.485 9.244 2.673 1.00 0.47 C ATOM 679 CG1 VAL A 98 1.259 8.431 2.285 1.00 0.49 C ATOM 680 CG2 VAL A 98 3.719 8.355 2.733 1.00 0.53 C ATOM 0 H VAL A 98 3.358 9.113 0.209 1.00 0.48 H new ATOM 0 HA VAL A 98 1.783 11.035 1.746 1.00 0.46 H new ATOM 0 HB VAL A 98 2.326 9.660 3.668 1.00 0.47 H new ATOM 0 HG11 VAL A 98 1.134 7.604 2.984 1.00 0.49 H new ATOM 0 HG12 VAL A 98 0.375 9.068 2.315 1.00 0.49 H new ATOM 0 HG13 VAL A 98 1.388 8.037 1.277 1.00 0.49 H new ATOM 0 HG21 VAL A 98 3.543 7.535 3.429 1.00 0.53 H new ATOM 0 HG22 VAL A 98 3.926 7.952 1.742 1.00 0.53 H new ATOM 0 HG23 VAL A 98 4.573 8.941 3.072 1.00 0.53 H new ATOM 690 N TRP A 99 3.701 12.224 2.967 1.00 0.38 N ATOM 691 CA TRP A 99 4.795 13.075 3.398 1.00 0.39 C ATOM 692 C TRP A 99 5.044 12.910 4.890 1.00 0.35 C ATOM 693 O TRP A 99 4.158 13.164 5.709 1.00 0.38 O ATOM 694 CB TRP A 99 4.497 14.543 3.067 1.00 0.44 C ATOM 695 CG TRP A 99 4.144 14.779 1.626 1.00 0.50 C ATOM 696 CD1 TRP A 99 3.010 15.364 1.148 1.00 0.66 C ATOM 697 CD2 TRP A 99 4.923 14.424 0.476 1.00 0.62 C ATOM 698 NE1 TRP A 99 3.035 15.402 -0.224 1.00 0.69 N ATOM 699 CE2 TRP A 99 4.198 14.829 -0.661 1.00 0.66 C ATOM 700 CE3 TRP A 99 6.160 13.806 0.298 1.00 0.88 C ATOM 701 CZ2 TRP A 99 4.672 14.633 -1.956 1.00 0.82 C ATOM 702 CZ3 TRP A 99 6.632 13.613 -0.988 1.00 1.13 C ATOM 703 CH2 TRP A 99 5.888 14.025 -2.099 1.00 1.06 C ATOM 0 H TRP A 99 2.796 12.450 3.380 1.00 0.38 H new ATOM 0 HA TRP A 99 5.695 12.774 2.861 1.00 0.39 H new ATOM 0 HB2 TRP A 99 3.675 14.888 3.694 1.00 0.44 H new ATOM 0 HB3 TRP A 99 5.367 15.147 3.322 1.00 0.44 H new ATOM 0 HD1 TRP A 99 2.206 15.744 1.761 1.00 0.66 H new ATOM 0 HE1 TRP A 99 2.306 15.793 -0.820 1.00 0.69 H new ATOM 0 HE3 TRP A 99 6.740 13.483 1.150 1.00 0.88 H new ATOM 0 HZ2 TRP A 99 4.100 14.950 -2.816 1.00 0.82 H new ATOM 0 HZ3 TRP A 99 7.590 13.137 -1.137 1.00 1.13 H new ATOM 0 HH2 TRP A 99 6.283 13.859 -3.091 1.00 1.06 H new ATOM 714 N ALA A 100 6.238 12.453 5.236 1.00 0.39 N ATOM 715 CA ALA A 100 6.633 12.327 6.628 1.00 0.42 C ATOM 716 C ALA A 100 6.803 13.705 7.248 1.00 0.43 C ATOM 717 O ALA A 100 7.617 14.504 6.788 1.00 0.49 O ATOM 718 CB ALA A 100 7.925 11.530 6.749 1.00 0.54 C ATOM 0 H ALA A 100 6.952 12.163 4.568 1.00 0.39 H new ATOM 0 HA ALA A 100 5.849 11.792 7.165 1.00 0.42 H new ATOM 0 HB1 ALA A 100 8.204 11.447 7.799 1.00 0.54 H new ATOM 0 HB2 ALA A 100 7.778 10.533 6.332 1.00 0.54 H new ATOM 0 HB3 ALA A 100 8.719 12.039 6.202 1.00 0.54 H new ATOM 724 N LYS A 101 6.032 13.986 8.291 1.00 0.47 N ATOM 725 CA LYS A 101 6.103 15.282 8.959 1.00 0.57 C ATOM 726 C LYS A 101 7.150 15.243 10.066 1.00 0.56 C ATOM 727 O LYS A 101 7.197 16.108 10.939 1.00 0.63 O ATOM 728 CB LYS A 101 4.731 15.703 9.515 1.00 0.69 C ATOM 729 CG LYS A 101 4.203 14.835 10.647 1.00 1.17 C ATOM 730 CD LYS A 101 3.367 13.680 10.122 1.00 0.84 C ATOM 731 CE LYS A 101 2.094 14.143 9.436 1.00 0.88 C ATOM 732 NZ LYS A 101 1.282 15.065 10.273 1.00 1.68 N ATOM 0 H LYS A 101 5.353 13.339 8.692 1.00 0.47 H new ATOM 0 HA LYS A 101 6.399 16.030 8.223 1.00 0.57 H new ATOM 0 HB2 LYS A 101 4.799 16.732 9.868 1.00 0.69 H new ATOM 0 HB3 LYS A 101 4.007 15.692 8.701 1.00 0.69 H new ATOM 0 HG2 LYS A 101 5.039 14.445 11.228 1.00 1.17 H new ATOM 0 HG3 LYS A 101 3.601 15.443 11.322 1.00 1.17 H new ATOM 0 HD2 LYS A 101 3.962 13.096 9.420 1.00 0.84 H new ATOM 0 HD3 LYS A 101 3.109 13.018 10.949 1.00 0.84 H new ATOM 0 HE2 LYS A 101 2.353 14.642 8.502 1.00 0.88 H new ATOM 0 HE3 LYS A 101 1.492 13.273 9.176 1.00 0.88 H new ATOM 0 HZ1 LYS A 101 0.395 15.292 9.779 1.00 1.68 H new ATOM 0 HZ2 LYS A 101 1.065 14.609 11.182 1.00 1.68 H new ATOM 0 HZ3 LYS A 101 1.817 15.940 10.444 1.00 1.68 H new ATOM 746 N ARG A 102 7.988 14.223 10.009 1.00 0.54 N ATOM 747 CA ARG A 102 9.087 14.060 10.939 1.00 0.58 C ATOM 748 C ARG A 102 10.286 13.517 10.176 1.00 0.54 C ATOM 749 O ARG A 102 10.129 12.942 9.103 1.00 0.54 O ATOM 750 CB ARG A 102 8.695 13.094 12.062 1.00 0.72 C ATOM 751 CG ARG A 102 9.792 12.872 13.092 1.00 0.83 C ATOM 752 CD ARG A 102 9.459 11.730 14.032 1.00 1.16 C ATOM 753 NE ARG A 102 9.149 10.501 13.303 1.00 1.80 N ATOM 754 CZ ARG A 102 9.953 9.443 13.227 1.00 2.52 C ATOM 755 NH1 ARG A 102 11.140 9.448 13.821 1.00 2.75 N ATOM 756 NH2 ARG A 102 9.568 8.376 12.548 1.00 3.50 N ATOM 0 H ARG A 102 7.923 13.481 9.312 1.00 0.54 H new ATOM 0 HA ARG A 102 9.335 15.021 11.390 1.00 0.58 H new ATOM 0 HB2 ARG A 102 7.809 13.479 12.566 1.00 0.72 H new ATOM 0 HB3 ARG A 102 8.421 12.134 11.624 1.00 0.72 H new ATOM 0 HG2 ARG A 102 10.732 12.661 12.582 1.00 0.83 H new ATOM 0 HG3 ARG A 102 9.940 13.785 13.668 1.00 0.83 H new ATOM 0 HD2 ARG A 102 10.301 11.553 14.702 1.00 1.16 H new ATOM 0 HD3 ARG A 102 8.609 12.008 14.655 1.00 1.16 H new ATOM 0 HE ARG A 102 8.253 10.451 12.818 1.00 1.80 H new ATOM 0 HH11 ARG A 102 11.445 10.269 14.343 1.00 2.75 H new ATOM 0 HH12 ARG A 102 11.747 8.631 13.755 1.00 2.75 H new ATOM 0 HH21 ARG A 102 8.659 8.366 12.086 1.00 3.50 H new ATOM 0 HH22 ARG A 102 10.180 7.562 12.486 1.00 3.50 H new ATOM 770 N LYS A 103 11.477 13.709 10.721 1.00 0.59 N ATOM 771 CA LYS A 103 12.682 13.214 10.097 1.00 0.63 C ATOM 772 C LYS A 103 12.900 11.746 10.440 1.00 0.68 C ATOM 773 O LYS A 103 12.362 11.239 11.425 1.00 0.82 O ATOM 774 CB LYS A 103 13.884 14.063 10.530 1.00 0.73 C ATOM 775 CG LYS A 103 13.868 14.489 11.995 1.00 0.98 C ATOM 776 CD LYS A 103 13.850 13.308 12.946 1.00 1.17 C ATOM 777 CE LYS A 103 15.213 12.643 13.050 1.00 2.05 C ATOM 778 NZ LYS A 103 15.212 11.520 14.024 1.00 2.40 N ATOM 0 H LYS A 103 11.629 14.207 11.598 1.00 0.59 H new ATOM 0 HA LYS A 103 12.575 13.292 9.015 1.00 0.63 H new ATOM 0 HB2 LYS A 103 14.797 13.499 10.339 1.00 0.73 H new ATOM 0 HB3 LYS A 103 13.925 14.956 9.906 1.00 0.73 H new ATOM 0 HG2 LYS A 103 14.745 15.103 12.201 1.00 0.98 H new ATOM 0 HG3 LYS A 103 12.993 15.112 12.179 1.00 0.98 H new ATOM 0 HD2 LYS A 103 13.533 13.642 13.934 1.00 1.17 H new ATOM 0 HD3 LYS A 103 13.115 12.579 12.605 1.00 1.17 H new ATOM 0 HE2 LYS A 103 15.511 12.272 12.069 1.00 2.05 H new ATOM 0 HE3 LYS A 103 15.955 13.383 13.350 1.00 2.05 H new ATOM 0 HZ1 LYS A 103 16.185 11.183 14.166 1.00 2.40 H new ATOM 0 HZ2 LYS A 103 14.824 11.848 14.931 1.00 2.40 H new ATOM 0 HZ3 LYS A 103 14.626 10.743 13.657 1.00 2.40 H new ATOM 792 N MET A 104 13.682 11.070 9.628 1.00 0.73 N ATOM 793 CA MET A 104 14.040 9.688 9.886 1.00 0.83 C ATOM 794 C MET A 104 15.532 9.511 9.694 1.00 0.87 C ATOM 795 O MET A 104 16.147 10.248 8.930 1.00 0.93 O ATOM 796 CB MET A 104 13.256 8.742 8.976 1.00 0.85 C ATOM 797 CG MET A 104 11.821 8.526 9.424 1.00 0.97 C ATOM 798 SD MET A 104 10.890 7.485 8.288 1.00 1.22 S ATOM 799 CE MET A 104 10.923 8.517 6.823 1.00 0.92 C ATOM 0 H MET A 104 14.087 11.457 8.775 1.00 0.73 H new ATOM 0 HA MET A 104 13.782 9.440 10.916 1.00 0.83 H new ATOM 0 HB2 MET A 104 13.256 9.142 7.962 1.00 0.85 H new ATOM 0 HB3 MET A 104 13.766 7.779 8.939 1.00 0.85 H new ATOM 0 HG2 MET A 104 11.818 8.070 10.414 1.00 0.97 H new ATOM 0 HG3 MET A 104 11.324 9.492 9.516 1.00 0.97 H new ATOM 0 HE1 MET A 104 9.902 8.736 6.509 1.00 0.92 H new ATOM 0 HE2 MET A 104 11.442 9.449 7.046 1.00 0.92 H new ATOM 0 HE3 MET A 104 11.445 7.994 6.021 1.00 0.92 H new ATOM 809 N GLU A 105 16.110 8.564 10.412 1.00 0.90 N ATOM 810 CA GLU A 105 17.545 8.347 10.373 1.00 0.93 C ATOM 811 C GLU A 105 17.868 6.988 9.773 1.00 0.89 C ATOM 812 O GLU A 105 17.219 5.988 10.097 1.00 1.13 O ATOM 813 CB GLU A 105 18.124 8.472 11.779 1.00 1.08 C ATOM 814 CG GLU A 105 17.933 9.856 12.377 1.00 1.64 C ATOM 815 CD GLU A 105 18.513 9.977 13.763 1.00 1.94 C ATOM 816 OE1 GLU A 105 17.740 10.182 14.718 1.00 2.25 O ATOM 817 OE2 GLU A 105 19.750 9.857 13.908 1.00 2.31 O ATOM 0 H GLU A 105 15.605 7.931 11.032 1.00 0.90 H new ATOM 0 HA GLU A 105 18.000 9.107 9.738 1.00 0.93 H new ATOM 0 HB2 GLU A 105 17.653 7.733 12.427 1.00 1.08 H new ATOM 0 HB3 GLU A 105 19.188 8.238 11.750 1.00 1.08 H new ATOM 0 HG2 GLU A 105 18.400 10.596 11.727 1.00 1.64 H new ATOM 0 HG3 GLU A 105 16.869 10.088 12.412 1.00 1.64 H new ATOM 824 N ALA A 106 18.902 6.984 8.930 1.00 0.78 N ATOM 825 CA ALA A 106 19.290 5.840 8.099 1.00 0.78 C ATOM 826 C ALA A 106 19.113 4.492 8.789 1.00 0.76 C ATOM 827 O ALA A 106 19.705 4.238 9.840 1.00 0.78 O ATOM 828 CB ALA A 106 20.739 5.998 7.663 1.00 0.84 C ATOM 0 H ALA A 106 19.508 7.795 8.802 1.00 0.78 H new ATOM 0 HA ALA A 106 18.620 5.840 7.240 1.00 0.78 H new ATOM 0 HB1 ALA A 106 21.028 5.148 7.045 1.00 0.84 H new ATOM 0 HB2 ALA A 106 20.848 6.918 7.088 1.00 0.84 H new ATOM 0 HB3 ALA A 106 21.381 6.042 8.543 1.00 0.84 H new ATOM 834 N GLY A 107 18.316 3.626 8.173 1.00 0.83 N ATOM 835 CA GLY A 107 18.106 2.294 8.709 1.00 0.91 C ATOM 836 C GLY A 107 16.662 2.052 9.084 1.00 0.87 C ATOM 837 O GLY A 107 16.320 1.020 9.667 1.00 1.04 O ATOM 0 H GLY A 107 17.810 3.824 7.310 1.00 0.83 H new ATOM 0 HA2 GLY A 107 18.417 1.554 7.972 1.00 0.91 H new ATOM 0 HA3 GLY A 107 18.736 2.154 9.587 1.00 0.91 H new ATOM 841 N GLU A 108 15.811 3.001 8.739 1.00 0.71 N ATOM 842 CA GLU A 108 14.399 2.933 9.064 1.00 0.74 C ATOM 843 C GLU A 108 13.643 2.111 8.022 1.00 0.61 C ATOM 844 O GLU A 108 14.122 1.907 6.900 1.00 0.61 O ATOM 845 CB GLU A 108 13.799 4.341 9.169 1.00 0.87 C ATOM 846 CG GLU A 108 13.871 5.159 7.885 1.00 0.85 C ATOM 847 CD GLU A 108 15.250 5.727 7.601 1.00 1.78 C ATOM 848 OE1 GLU A 108 16.111 4.985 7.082 1.00 2.62 O ATOM 849 OE2 GLU A 108 15.471 6.911 7.902 1.00 2.13 O ATOM 0 H GLU A 108 16.080 3.840 8.226 1.00 0.71 H new ATOM 0 HA GLU A 108 14.298 2.441 10.031 1.00 0.74 H new ATOM 0 HB2 GLU A 108 12.755 4.255 9.472 1.00 0.87 H new ATOM 0 HB3 GLU A 108 14.317 4.884 9.960 1.00 0.87 H new ATOM 0 HG2 GLU A 108 13.566 4.532 7.047 1.00 0.85 H new ATOM 0 HG3 GLU A 108 13.155 5.979 7.946 1.00 0.85 H new ATOM 856 N ARG A 109 12.473 1.623 8.402 1.00 0.63 N ATOM 857 CA ARG A 109 11.657 0.814 7.513 1.00 0.56 C ATOM 858 C ARG A 109 10.175 1.065 7.764 1.00 0.46 C ATOM 859 O ARG A 109 9.735 1.128 8.909 1.00 0.55 O ATOM 860 CB ARG A 109 12.004 -0.672 7.692 1.00 0.73 C ATOM 861 CG ARG A 109 11.029 -1.627 7.021 1.00 0.80 C ATOM 862 CD ARG A 109 9.983 -2.128 8.002 1.00 1.22 C ATOM 863 NE ARG A 109 10.576 -2.915 9.078 1.00 2.02 N ATOM 864 CZ ARG A 109 9.931 -3.264 10.190 1.00 2.71 C ATOM 865 NH1 ARG A 109 8.679 -2.870 10.391 1.00 2.91 N ATOM 866 NH2 ARG A 109 10.544 -3.998 11.104 1.00 3.62 N ATOM 0 H ARG A 109 12.066 1.775 9.325 1.00 0.63 H new ATOM 0 HA ARG A 109 11.870 1.097 6.482 1.00 0.56 H new ATOM 0 HB2 ARG A 109 13.002 -0.851 7.293 1.00 0.73 H new ATOM 0 HB3 ARG A 109 12.041 -0.899 8.758 1.00 0.73 H new ATOM 0 HG2 ARG A 109 10.538 -1.123 6.189 1.00 0.80 H new ATOM 0 HG3 ARG A 109 11.575 -2.474 6.604 1.00 0.80 H new ATOM 0 HD2 ARG A 109 9.448 -1.279 8.427 1.00 1.22 H new ATOM 0 HD3 ARG A 109 9.249 -2.734 7.471 1.00 1.22 H new ATOM 0 HE ARG A 109 11.545 -3.217 8.972 1.00 2.02 H new ATOM 0 HH11 ARG A 109 8.206 -2.297 9.692 1.00 2.91 H new ATOM 0 HH12 ARG A 109 8.190 -3.140 11.244 1.00 2.91 H new ATOM 0 HH21 ARG A 109 11.508 -4.295 10.956 1.00 3.62 H new ATOM 0 HH22 ARG A 109 10.052 -4.266 11.956 1.00 3.62 H new ATOM 880 N LEU A 110 9.410 1.205 6.688 1.00 0.38 N ATOM 881 CA LEU A 110 7.971 1.411 6.798 1.00 0.39 C ATOM 882 C LEU A 110 7.256 0.068 6.718 1.00 0.49 C ATOM 883 O LEU A 110 7.668 -0.811 5.959 1.00 0.53 O ATOM 884 CB LEU A 110 7.445 2.331 5.684 1.00 0.35 C ATOM 885 CG LEU A 110 8.289 3.565 5.357 1.00 0.35 C ATOM 886 CD1 LEU A 110 7.472 4.549 4.530 1.00 0.39 C ATOM 887 CD2 LEU A 110 8.796 4.233 6.625 1.00 0.41 C ATOM 0 H LEU A 110 9.761 1.180 5.731 1.00 0.38 H new ATOM 0 HA LEU A 110 7.773 1.889 7.758 1.00 0.39 H new ATOM 0 HB2 LEU A 110 7.341 1.739 4.775 1.00 0.35 H new ATOM 0 HB3 LEU A 110 6.446 2.666 5.963 1.00 0.35 H new ATOM 0 HG LEU A 110 9.155 3.245 4.778 1.00 0.35 H new ATOM 0 HD11 LEU A 110 8.080 5.425 4.301 1.00 0.39 H new ATOM 0 HD12 LEU A 110 7.159 4.072 3.601 1.00 0.39 H new ATOM 0 HD13 LEU A 110 6.592 4.856 5.095 1.00 0.39 H new ATOM 0 HD21 LEU A 110 9.393 5.107 6.362 1.00 0.41 H new ATOM 0 HD22 LEU A 110 7.949 4.543 7.237 1.00 0.41 H new ATOM 0 HD23 LEU A 110 9.411 3.529 7.186 1.00 0.41 H new ATOM 899 N GLY A 111 6.199 -0.091 7.498 1.00 0.61 N ATOM 900 CA GLY A 111 5.450 -1.329 7.483 1.00 0.77 C ATOM 901 C GLY A 111 4.245 -1.271 8.397 1.00 0.88 C ATOM 902 O GLY A 111 4.095 -0.311 9.152 1.00 1.02 O ATOM 0 H GLY A 111 5.846 0.616 8.142 1.00 0.61 H new ATOM 0 HA2 GLY A 111 5.124 -1.544 6.465 1.00 0.77 H new ATOM 0 HA3 GLY A 111 6.099 -2.150 7.789 1.00 0.77 H new ATOM 906 N PRO A 112 3.362 -2.285 8.354 1.00 1.23 N ATOM 907 CA PRO A 112 3.489 -3.435 7.459 1.00 1.24 C ATOM 908 C PRO A 112 3.035 -3.111 6.037 1.00 1.05 C ATOM 909 O PRO A 112 2.023 -2.445 5.831 1.00 1.19 O ATOM 910 CB PRO A 112 2.571 -4.495 8.088 1.00 1.78 C ATOM 911 CG PRO A 112 2.029 -3.883 9.345 1.00 2.10 C ATOM 912 CD PRO A 112 2.167 -2.397 9.187 1.00 1.83 C ATOM 0 HA PRO A 112 4.525 -3.761 7.364 1.00 1.24 H new ATOM 0 HB2 PRO A 112 1.764 -4.765 7.407 1.00 1.78 H new ATOM 0 HB3 PRO A 112 3.123 -5.409 8.306 1.00 1.78 H new ATOM 0 HG2 PRO A 112 0.986 -4.162 9.494 1.00 2.10 H new ATOM 0 HG3 PRO A 112 2.581 -4.234 10.217 1.00 2.10 H new ATOM 0 HD2 PRO A 112 1.293 -1.956 8.707 1.00 1.83 H new ATOM 0 HD3 PRO A 112 2.291 -1.895 10.147 1.00 1.83 H new ATOM 920 N CYS A 113 3.794 -3.588 5.060 1.00 1.00 N ATOM 921 CA CYS A 113 3.535 -3.267 3.664 1.00 1.00 C ATOM 922 C CYS A 113 2.537 -4.237 3.046 1.00 1.17 C ATOM 923 O CYS A 113 1.756 -3.864 2.174 1.00 1.67 O ATOM 924 CB CYS A 113 4.846 -3.294 2.891 1.00 1.05 C ATOM 925 SG CYS A 113 6.179 -2.421 3.737 1.00 2.00 S ATOM 0 H CYS A 113 4.596 -4.200 5.210 1.00 1.00 H new ATOM 0 HA CYS A 113 3.098 -2.270 3.612 1.00 1.00 H new ATOM 0 HB2 CYS A 113 5.144 -4.330 2.727 1.00 1.05 H new ATOM 0 HB3 CYS A 113 4.692 -2.847 1.909 1.00 1.05 H new ATOM 0 HG CYS A 113 6.578 -1.424 3.004 1.00 2.00 H new ATOM 1692 N GLY A 166 -1.808 -1.173 4.480 1.00 1.30 N ATOM 1693 CA GLY A 166 -0.528 -1.102 3.804 1.00 1.24 C ATOM 1694 C GLY A 166 -0.652 -0.462 2.435 1.00 1.03 C ATOM 1695 O GLY A 166 0.322 -0.369 1.689 1.00 1.05 O ATOM 0 HA2 GLY A 166 0.173 -0.529 4.411 1.00 1.24 H new ATOM 0 HA3 GLY A 166 -0.115 -2.105 3.701 1.00 1.24 H new ATOM 1699 N SER A 167 -1.852 0.005 2.121 1.00 0.98 N ATOM 1700 CA SER A 167 -2.148 0.550 0.802 1.00 0.99 C ATOM 1701 C SER A 167 -1.571 1.955 0.647 1.00 0.78 C ATOM 1702 O SER A 167 -1.365 2.439 -0.464 1.00 0.86 O ATOM 1703 CB SER A 167 -3.662 0.564 0.572 1.00 1.17 C ATOM 1704 OG SER A 167 -3.986 0.989 -0.741 1.00 1.82 O ATOM 0 H SER A 167 -2.642 0.018 2.766 1.00 0.98 H new ATOM 0 HA SER A 167 -1.680 -0.088 0.052 1.00 0.99 H new ATOM 0 HB2 SER A 167 -4.066 -0.434 0.742 1.00 1.17 H new ATOM 0 HB3 SER A 167 -4.135 1.227 1.297 1.00 1.17 H new ATOM 0 HG SER A 167 -4.959 0.985 -0.855 1.00 1.82 H new ATOM 1710 N TRP A 168 -1.295 2.602 1.768 1.00 0.62 N ATOM 1711 CA TRP A 168 -0.738 3.949 1.756 1.00 0.51 C ATOM 1712 C TRP A 168 0.700 3.938 1.238 1.00 0.42 C ATOM 1713 O TRP A 168 1.227 4.963 0.804 1.00 0.43 O ATOM 1714 CB TRP A 168 -0.789 4.553 3.164 1.00 0.56 C ATOM 1715 CG TRP A 168 -0.031 3.763 4.190 1.00 0.55 C ATOM 1716 CD1 TRP A 168 -0.449 2.627 4.820 1.00 0.69 C ATOM 1717 CD2 TRP A 168 1.270 4.056 4.715 1.00 0.49 C ATOM 1718 NE1 TRP A 168 0.517 2.187 5.690 1.00 0.70 N ATOM 1719 CE2 TRP A 168 1.581 3.050 5.646 1.00 0.56 C ATOM 1720 CE3 TRP A 168 2.202 5.070 4.482 1.00 0.49 C ATOM 1721 CZ2 TRP A 168 2.786 3.028 6.347 1.00 0.55 C ATOM 1722 CZ3 TRP A 168 3.397 5.048 5.177 1.00 0.51 C ATOM 1723 CH2 TRP A 168 3.679 4.034 6.099 1.00 0.50 C ATOM 0 H TRP A 168 -1.447 2.217 2.700 1.00 0.62 H new ATOM 0 HA TRP A 168 -1.338 4.563 1.084 1.00 0.51 H new ATOM 0 HB2 TRP A 168 -0.387 5.566 3.129 1.00 0.56 H new ATOM 0 HB3 TRP A 168 -1.830 4.633 3.477 1.00 0.56 H new ATOM 0 HD1 TRP A 168 -1.401 2.144 4.658 1.00 0.69 H new ATOM 0 HE1 TRP A 168 0.453 1.353 6.274 1.00 0.70 H new ATOM 0 HE3 TRP A 168 1.993 5.857 3.772 1.00 0.49 H new ATOM 0 HZ2 TRP A 168 3.006 2.246 7.059 1.00 0.55 H new ATOM 0 HZ3 TRP A 168 4.125 5.827 5.005 1.00 0.51 H new ATOM 0 HH2 TRP A 168 4.622 4.046 6.626 1.00 0.50 H new ATOM 1734 N LEU A 169 1.317 2.765 1.261 1.00 0.41 N ATOM 1735 CA LEU A 169 2.713 2.625 0.881 1.00 0.38 C ATOM 1736 C LEU A 169 2.898 2.576 -0.632 1.00 0.39 C ATOM 1737 O LEU A 169 3.997 2.807 -1.131 1.00 0.41 O ATOM 1738 CB LEU A 169 3.306 1.379 1.537 1.00 0.44 C ATOM 1739 CG LEU A 169 3.691 1.551 3.007 1.00 0.46 C ATOM 1740 CD1 LEU A 169 3.953 0.207 3.653 1.00 0.66 C ATOM 1741 CD2 LEU A 169 4.915 2.440 3.130 1.00 0.55 C ATOM 0 H LEU A 169 0.868 1.893 1.541 1.00 0.41 H new ATOM 0 HA LEU A 169 3.243 3.509 1.235 1.00 0.38 H new ATOM 0 HB2 LEU A 169 2.585 0.565 1.457 1.00 0.44 H new ATOM 0 HB3 LEU A 169 4.191 1.077 0.977 1.00 0.44 H new ATOM 0 HG LEU A 169 2.858 2.025 3.526 1.00 0.46 H new ATOM 0 HD11 LEU A 169 4.225 0.353 4.698 1.00 0.66 H new ATOM 0 HD12 LEU A 169 3.054 -0.406 3.594 1.00 0.66 H new ATOM 0 HD13 LEU A 169 4.769 -0.294 3.132 1.00 0.66 H new ATOM 0 HD21 LEU A 169 5.178 2.554 4.182 1.00 0.55 H new ATOM 0 HD22 LEU A 169 5.749 1.987 2.594 1.00 0.55 H new ATOM 0 HD23 LEU A 169 4.698 3.419 2.702 1.00 0.55 H new ATOM 1753 N LYS A 170 1.833 2.298 -1.374 1.00 0.44 N ATOM 1754 CA LYS A 170 1.943 2.264 -2.828 1.00 0.52 C ATOM 1755 C LYS A 170 1.840 3.673 -3.407 1.00 0.50 C ATOM 1756 O LYS A 170 1.984 3.876 -4.612 1.00 0.61 O ATOM 1757 CB LYS A 170 0.901 1.314 -3.458 1.00 0.66 C ATOM 1758 CG LYS A 170 -0.561 1.684 -3.226 1.00 0.74 C ATOM 1759 CD LYS A 170 -1.022 2.808 -4.142 1.00 0.83 C ATOM 1760 CE LYS A 170 -2.507 3.081 -3.994 1.00 1.15 C ATOM 1761 NZ LYS A 170 -3.338 1.975 -4.536 1.00 1.48 N ATOM 0 H LYS A 170 0.904 2.097 -1.005 1.00 0.44 H new ATOM 0 HA LYS A 170 2.926 1.866 -3.080 1.00 0.52 H new ATOM 0 HB2 LYS A 170 1.079 1.271 -4.532 1.00 0.66 H new ATOM 0 HB3 LYS A 170 1.069 0.311 -3.067 1.00 0.66 H new ATOM 0 HG2 LYS A 170 -1.186 0.806 -3.388 1.00 0.74 H new ATOM 0 HG3 LYS A 170 -0.697 1.985 -2.187 1.00 0.74 H new ATOM 0 HD2 LYS A 170 -0.461 3.715 -3.915 1.00 0.83 H new ATOM 0 HD3 LYS A 170 -0.802 2.547 -5.177 1.00 0.83 H new ATOM 0 HE2 LYS A 170 -2.744 3.229 -2.940 1.00 1.15 H new ATOM 0 HE3 LYS A 170 -2.757 4.008 -4.510 1.00 1.15 H new ATOM 0 HZ1 LYS A 170 -4.331 2.279 -4.586 1.00 1.48 H new ATOM 0 HZ2 LYS A 170 -3.004 1.725 -5.489 1.00 1.48 H new ATOM 0 HZ3 LYS A 170 -3.261 1.145 -3.913 1.00 1.48 H new ATOM 1775 N TYR A 171 1.594 4.648 -2.539 1.00 0.45 N ATOM 1776 CA TYR A 171 1.526 6.039 -2.963 1.00 0.52 C ATOM 1777 C TYR A 171 2.922 6.608 -3.169 1.00 0.53 C ATOM 1778 O TYR A 171 3.146 7.401 -4.081 1.00 0.68 O ATOM 1779 CB TYR A 171 0.736 6.881 -1.957 1.00 0.56 C ATOM 1780 CG TYR A 171 -0.760 6.697 -2.071 1.00 0.85 C ATOM 1781 CD1 TYR A 171 -1.530 7.585 -2.811 1.00 1.12 C ATOM 1782 CD2 TYR A 171 -1.400 5.635 -1.449 1.00 1.03 C ATOM 1783 CE1 TYR A 171 -2.897 7.420 -2.928 1.00 1.44 C ATOM 1784 CE2 TYR A 171 -2.767 5.463 -1.557 1.00 1.42 C ATOM 1785 CZ TYR A 171 -3.511 6.358 -2.298 1.00 1.58 C ATOM 1786 OH TYR A 171 -4.874 6.187 -2.413 1.00 1.97 O ATOM 0 H TYR A 171 1.439 4.501 -1.542 1.00 0.45 H new ATOM 0 HA TYR A 171 1.000 6.076 -3.917 1.00 0.52 H new ATOM 0 HB2 TYR A 171 1.052 6.620 -0.947 1.00 0.56 H new ATOM 0 HB3 TYR A 171 0.978 7.933 -2.104 1.00 0.56 H new ATOM 0 HD1 TYR A 171 -1.052 8.419 -3.304 1.00 1.12 H new ATOM 0 HD2 TYR A 171 -0.820 4.931 -0.871 1.00 1.03 H new ATOM 0 HE1 TYR A 171 -3.481 8.118 -3.509 1.00 1.44 H new ATOM 0 HE2 TYR A 171 -3.250 4.632 -1.064 1.00 1.42 H new ATOM 0 HH TYR A 171 -5.090 5.233 -2.358 1.00 1.97 H new ATOM 1796 N ILE A 172 3.869 6.194 -2.334 1.00 0.43 N ATOM 1797 CA ILE A 172 5.256 6.592 -2.532 1.00 0.46 C ATOM 1798 C ILE A 172 5.788 5.933 -3.794 1.00 0.56 C ATOM 1799 O ILE A 172 5.622 4.728 -3.992 1.00 0.67 O ATOM 1800 CB ILE A 172 6.166 6.240 -1.329 1.00 0.42 C ATOM 1801 CG1 ILE A 172 5.390 5.461 -0.252 1.00 0.42 C ATOM 1802 CG2 ILE A 172 6.794 7.501 -0.763 1.00 0.57 C ATOM 1803 CD1 ILE A 172 5.997 5.531 1.137 1.00 0.54 C ATOM 0 H ILE A 172 3.705 5.593 -1.526 1.00 0.43 H new ATOM 0 HA ILE A 172 5.273 7.678 -2.628 1.00 0.46 H new ATOM 0 HB ILE A 172 6.967 5.588 -1.678 1.00 0.42 H new ATOM 0 HG12 ILE A 172 4.370 5.844 -0.209 1.00 0.42 H new ATOM 0 HG13 ILE A 172 5.325 4.416 -0.554 1.00 0.42 H new ATOM 0 HG21 ILE A 172 7.432 7.242 0.082 1.00 0.57 H new ATOM 0 HG22 ILE A 172 7.392 7.987 -1.534 1.00 0.57 H new ATOM 0 HG23 ILE A 172 6.009 8.181 -0.431 1.00 0.57 H new ATOM 0 HD11 ILE A 172 5.385 4.954 1.831 1.00 0.54 H new ATOM 0 HD12 ILE A 172 7.006 5.119 1.114 1.00 0.54 H new ATOM 0 HD13 ILE A 172 6.036 6.570 1.465 1.00 0.54 H new ATOM 1815 N ARG A 173 6.390 6.725 -4.666 1.00 0.71 N ATOM 1816 CA ARG A 173 6.835 6.223 -5.954 1.00 0.92 C ATOM 1817 C ARG A 173 8.287 6.604 -6.211 1.00 0.69 C ATOM 1818 O ARG A 173 9.019 6.922 -5.272 1.00 0.61 O ATOM 1819 CB ARG A 173 5.921 6.745 -7.066 1.00 1.38 C ATOM 1820 CG ARG A 173 4.454 6.429 -6.824 1.00 1.82 C ATOM 1821 CD ARG A 173 3.570 6.884 -7.968 1.00 2.22 C ATOM 1822 NE ARG A 173 2.151 6.763 -7.634 1.00 2.79 N ATOM 1823 CZ ARG A 173 1.238 6.206 -8.429 1.00 3.52 C ATOM 1824 NH1 ARG A 173 1.595 5.680 -9.595 1.00 3.84 N ATOM 1825 NH2 ARG A 173 -0.036 6.160 -8.049 1.00 4.34 N ATOM 0 H ARG A 173 6.581 7.714 -4.506 1.00 0.71 H new ATOM 0 HA ARG A 173 6.777 5.135 -5.945 1.00 0.92 H new ATOM 0 HB2 ARG A 173 6.045 7.824 -7.154 1.00 1.38 H new ATOM 0 HB3 ARG A 173 6.229 6.310 -8.017 1.00 1.38 H new ATOM 0 HG2 ARG A 173 4.335 5.355 -6.681 1.00 1.82 H new ATOM 0 HG3 ARG A 173 4.128 6.911 -5.902 1.00 1.82 H new ATOM 0 HD2 ARG A 173 3.799 7.921 -8.215 1.00 2.22 H new ATOM 0 HD3 ARG A 173 3.787 6.289 -8.855 1.00 2.22 H new ATOM 0 HE ARG A 173 1.840 7.129 -6.734 1.00 2.79 H new ATOM 0 HH11 ARG A 173 2.572 5.701 -9.886 1.00 3.84 H new ATOM 0 HH12 ARG A 173 0.892 5.255 -10.199 1.00 3.84 H new ATOM 0 HH21 ARG A 173 -0.314 6.551 -7.149 1.00 4.34 H new ATOM 0 HH22 ARG A 173 -0.735 5.734 -8.658 1.00 4.34 H new ATOM 1839 N VAL A 174 8.695 6.564 -7.473 1.00 0.70 N ATOM 1840 CA VAL A 174 10.089 6.760 -7.844 1.00 0.63 C ATOM 1841 C VAL A 174 10.572 8.160 -7.467 1.00 0.55 C ATOM 1842 O VAL A 174 9.791 9.113 -7.445 1.00 0.62 O ATOM 1843 CB VAL A 174 10.296 6.526 -9.359 1.00 0.73 C ATOM 1844 CG1 VAL A 174 11.775 6.485 -9.707 1.00 0.98 C ATOM 1845 CG2 VAL A 174 9.616 5.239 -9.799 1.00 1.07 C ATOM 0 H VAL A 174 8.073 6.396 -8.263 1.00 0.70 H new ATOM 0 HA VAL A 174 10.678 6.029 -7.290 1.00 0.63 H new ATOM 0 HB VAL A 174 9.842 7.361 -9.892 1.00 0.73 H new ATOM 0 HG11 VAL A 174 11.892 6.319 -10.778 1.00 0.98 H new ATOM 0 HG12 VAL A 174 12.240 7.432 -9.433 1.00 0.98 H new ATOM 0 HG13 VAL A 174 12.255 5.674 -9.160 1.00 0.98 H new ATOM 0 HG21 VAL A 174 9.773 5.092 -10.868 1.00 1.07 H new ATOM 0 HG22 VAL A 174 10.040 4.398 -9.251 1.00 1.07 H new ATOM 0 HG23 VAL A 174 8.547 5.304 -9.595 1.00 1.07 H new ATOM 1855 N ALA A 175 11.862 8.260 -7.150 1.00 0.53 N ATOM 1856 CA ALA A 175 12.472 9.517 -6.745 1.00 0.57 C ATOM 1857 C ALA A 175 12.212 10.615 -7.765 1.00 0.52 C ATOM 1858 O ALA A 175 12.385 10.422 -8.969 1.00 0.57 O ATOM 1859 CB ALA A 175 13.967 9.332 -6.545 1.00 0.71 C ATOM 0 H ALA A 175 12.509 7.472 -7.168 1.00 0.53 H new ATOM 0 HA ALA A 175 12.018 9.822 -5.802 1.00 0.57 H new ATOM 0 HB1 ALA A 175 14.414 10.279 -6.242 1.00 0.71 H new ATOM 0 HB2 ALA A 175 14.141 8.585 -5.771 1.00 0.71 H new ATOM 0 HB3 ALA A 175 14.421 8.999 -7.479 1.00 0.71 H new ATOM 1865 N CYS A 176 11.786 11.763 -7.255 1.00 0.62 N ATOM 1866 CA CYS A 176 11.469 12.930 -8.066 1.00 0.69 C ATOM 1867 C CYS A 176 12.637 13.348 -8.960 1.00 0.68 C ATOM 1868 O CYS A 176 12.432 13.974 -10.002 1.00 0.84 O ATOM 1869 CB CYS A 176 11.089 14.081 -7.140 1.00 0.85 C ATOM 1870 SG CYS A 176 9.877 13.625 -5.877 1.00 1.88 S ATOM 0 H CYS A 176 11.649 11.911 -6.255 1.00 0.62 H new ATOM 0 HA CYS A 176 10.638 12.673 -8.723 1.00 0.69 H new ATOM 0 HB2 CYS A 176 11.988 14.454 -6.650 1.00 0.85 H new ATOM 0 HB3 CYS A 176 10.688 14.900 -7.738 1.00 0.85 H new ATOM 0 HG CYS A 176 9.614 14.659 -5.135 1.00 1.88 H new ATOM 1876 N SER A 177 13.852 13.000 -8.555 1.00 0.63 N ATOM 1877 CA SER A 177 15.041 13.336 -9.319 1.00 0.71 C ATOM 1878 C SER A 177 16.112 12.268 -9.115 1.00 0.65 C ATOM 1879 O SER A 177 15.890 11.293 -8.395 1.00 0.66 O ATOM 1880 CB SER A 177 15.575 14.702 -8.890 1.00 0.88 C ATOM 1881 OG SER A 177 16.039 14.661 -7.555 1.00 1.63 O ATOM 0 H SER A 177 14.038 12.482 -7.696 1.00 0.63 H new ATOM 0 HA SER A 177 14.779 13.378 -10.376 1.00 0.71 H new ATOM 0 HB2 SER A 177 16.385 15.006 -9.553 1.00 0.88 H new ATOM 0 HB3 SER A 177 14.789 15.451 -8.984 1.00 0.88 H new ATOM 0 HG SER A 177 15.426 15.165 -6.980 1.00 1.63 H new ATOM 1887 N CYS A 178 17.269 12.449 -9.737 1.00 0.71 N ATOM 1888 CA CYS A 178 18.367 11.506 -9.588 1.00 0.76 C ATOM 1889 C CYS A 178 19.126 11.768 -8.287 1.00 0.71 C ATOM 1890 O CYS A 178 19.772 10.875 -7.742 1.00 0.77 O ATOM 1891 CB CYS A 178 19.317 11.598 -10.787 1.00 1.00 C ATOM 1892 SG CYS A 178 20.641 10.365 -10.787 1.00 1.96 S ATOM 0 H CYS A 178 17.471 13.240 -10.349 1.00 0.71 H new ATOM 0 HA CYS A 178 17.953 10.499 -9.549 1.00 0.76 H new ATOM 0 HB2 CYS A 178 18.737 11.491 -11.704 1.00 1.00 H new ATOM 0 HB3 CYS A 178 19.763 12.592 -10.806 1.00 1.00 H new ATOM 0 HG CYS A 178 20.885 9.991 -9.566 1.00 1.96 H new ATOM 1898 N ASP A 179 19.040 12.991 -7.780 1.00 0.76 N ATOM 1899 CA ASP A 179 19.714 13.346 -6.534 1.00 0.88 C ATOM 1900 C ASP A 179 18.824 13.059 -5.332 1.00 0.82 C ATOM 1901 O ASP A 179 19.279 13.102 -4.188 1.00 0.99 O ATOM 1902 CB ASP A 179 20.152 14.815 -6.533 1.00 1.08 C ATOM 1903 CG ASP A 179 19.009 15.783 -6.761 1.00 1.81 C ATOM 1904 OD1 ASP A 179 18.725 16.101 -7.936 1.00 2.40 O ATOM 1905 OD2 ASP A 179 18.406 16.255 -5.773 1.00 2.42 O ATOM 0 H ASP A 179 18.513 13.752 -8.209 1.00 0.76 H new ATOM 0 HA ASP A 179 20.608 12.727 -6.460 1.00 0.88 H new ATOM 0 HB2 ASP A 179 20.628 15.044 -5.579 1.00 1.08 H new ATOM 0 HB3 ASP A 179 20.904 14.963 -7.308 1.00 1.08 H new ATOM 1910 N ASP A 180 17.560 12.755 -5.594 1.00 0.70 N ATOM 1911 CA ASP A 180 16.618 12.411 -4.532 1.00 0.75 C ATOM 1912 C ASP A 180 16.597 10.910 -4.278 1.00 0.60 C ATOM 1913 O ASP A 180 15.661 10.400 -3.661 1.00 0.64 O ATOM 1914 CB ASP A 180 15.199 12.889 -4.862 1.00 0.92 C ATOM 1915 CG ASP A 180 14.995 14.364 -4.583 1.00 1.41 C ATOM 1916 OD1 ASP A 180 14.543 15.090 -5.492 1.00 2.12 O ATOM 1917 OD2 ASP A 180 15.305 14.808 -3.456 1.00 1.55 O ATOM 0 H ASP A 180 17.161 12.739 -6.533 1.00 0.70 H new ATOM 0 HA ASP A 180 16.960 12.921 -3.631 1.00 0.75 H new ATOM 0 HB2 ASP A 180 14.989 12.691 -5.913 1.00 0.92 H new ATOM 0 HB3 ASP A 180 14.482 12.311 -4.279 1.00 0.92 H new ATOM 1922 N GLN A 181 17.606 10.198 -4.770 1.00 0.51 N ATOM 1923 CA GLN A 181 17.672 8.760 -4.552 1.00 0.46 C ATOM 1924 C GLN A 181 17.808 8.456 -3.074 1.00 0.46 C ATOM 1925 O GLN A 181 18.821 8.778 -2.447 1.00 0.56 O ATOM 1926 CB GLN A 181 18.840 8.128 -5.311 1.00 0.56 C ATOM 1927 CG GLN A 181 18.706 8.229 -6.820 1.00 0.62 C ATOM 1928 CD GLN A 181 17.469 7.527 -7.346 1.00 0.70 C ATOM 1929 OE1 GLN A 181 17.079 6.435 -6.707 1.00 1.35 O flip ATOM 1930 NE2 GLN A 181 16.878 7.954 -8.340 1.00 0.98 N flip ATOM 0 H GLN A 181 18.377 10.586 -5.313 1.00 0.51 H new ATOM 0 HA GLN A 181 16.744 8.331 -4.930 1.00 0.46 H new ATOM 0 HB2 GLN A 181 19.767 8.611 -5.003 1.00 0.56 H new ATOM 0 HB3 GLN A 181 18.920 7.078 -5.031 1.00 0.56 H new ATOM 0 HG2 GLN A 181 18.673 9.280 -7.108 1.00 0.62 H new ATOM 0 HG3 GLN A 181 19.590 7.798 -7.289 1.00 0.62 H new ATOM 0 HE21 GLN A 181 17.208 8.799 -8.806 1.00 0.98 H new ATOM 0 HE22 GLN A 181 16.059 7.462 -8.697 1.00 0.98 H new ATOM 1939 N ASN A 182 16.780 7.832 -2.535 1.00 0.40 N ATOM 1940 CA ASN A 182 16.754 7.423 -1.153 1.00 0.41 C ATOM 1941 C ASN A 182 15.605 6.440 -0.972 1.00 0.36 C ATOM 1942 O ASN A 182 14.852 6.491 -0.009 1.00 0.42 O ATOM 1943 CB ASN A 182 16.607 8.654 -0.250 1.00 0.49 C ATOM 1944 CG ASN A 182 16.632 8.313 1.221 1.00 0.99 C ATOM 1945 OD1 ASN A 182 17.677 8.056 1.797 1.00 1.68 O ATOM 1946 ND2 ASN A 182 15.474 8.328 1.834 1.00 0.93 N ATOM 0 H ASN A 182 15.934 7.594 -3.052 1.00 0.40 H new ATOM 0 HA ASN A 182 17.685 6.930 -0.872 1.00 0.41 H new ATOM 0 HB2 ASN A 182 17.412 9.356 -0.468 1.00 0.49 H new ATOM 0 HB3 ASN A 182 15.670 9.160 -0.484 1.00 0.49 H new ATOM 0 HD21 ASN A 182 15.422 8.120 2.831 1.00 0.93 H new ATOM 0 HD22 ASN A 182 14.625 8.548 1.314 1.00 0.93 H new ATOM 1953 N LEU A 183 15.479 5.528 -1.921 1.00 0.34 N ATOM 1954 CA LEU A 183 14.368 4.599 -1.915 1.00 0.35 C ATOM 1955 C LEU A 183 14.784 3.216 -2.384 1.00 0.36 C ATOM 1956 O LEU A 183 15.434 3.053 -3.417 1.00 0.39 O ATOM 1957 CB LEU A 183 13.183 5.134 -2.737 1.00 0.39 C ATOM 1958 CG LEU A 183 13.375 5.405 -4.237 1.00 0.46 C ATOM 1959 CD1 LEU A 183 12.083 5.966 -4.797 1.00 0.73 C ATOM 1960 CD2 LEU A 183 14.499 6.388 -4.517 1.00 0.81 C ATOM 0 H LEU A 183 16.128 5.413 -2.699 1.00 0.34 H new ATOM 0 HA LEU A 183 14.038 4.503 -0.881 1.00 0.35 H new ATOM 0 HB2 LEU A 183 12.364 4.422 -2.634 1.00 0.39 H new ATOM 0 HB3 LEU A 183 12.856 6.065 -2.274 1.00 0.39 H new ATOM 0 HG LEU A 183 13.642 4.461 -4.712 1.00 0.46 H new ATOM 0 HD11 LEU A 183 12.204 6.164 -5.862 1.00 0.73 H new ATOM 0 HD12 LEU A 183 11.279 5.244 -4.651 1.00 0.73 H new ATOM 0 HD13 LEU A 183 11.836 6.894 -4.281 1.00 0.73 H new ATOM 0 HD21 LEU A 183 14.589 6.541 -5.592 1.00 0.81 H new ATOM 0 HD22 LEU A 183 14.280 7.339 -4.032 1.00 0.81 H new ATOM 0 HD23 LEU A 183 15.436 5.990 -4.128 1.00 0.81 H new ATOM 1972 N THR A 184 14.433 2.227 -1.577 1.00 0.37 N ATOM 1973 CA THR A 184 14.754 0.844 -1.859 1.00 0.41 C ATOM 1974 C THR A 184 13.707 -0.081 -1.240 1.00 0.41 C ATOM 1975 O THR A 184 13.208 0.175 -0.144 1.00 0.45 O ATOM 1976 CB THR A 184 16.158 0.498 -1.317 1.00 0.45 C ATOM 1977 OG1 THR A 184 17.148 1.206 -2.070 1.00 0.51 O ATOM 1978 CG2 THR A 184 16.433 -0.992 -1.382 1.00 0.49 C ATOM 0 H THR A 184 13.917 2.365 -0.708 1.00 0.37 H new ATOM 0 HA THR A 184 14.751 0.701 -2.940 1.00 0.41 H new ATOM 0 HB THR A 184 16.199 0.798 -0.270 1.00 0.45 H new ATOM 0 HG1 THR A 184 18.039 0.988 -1.725 1.00 0.51 H new ATOM 0 HG21 THR A 184 17.430 -1.195 -0.992 1.00 0.49 H new ATOM 0 HG22 THR A 184 15.694 -1.525 -0.784 1.00 0.49 H new ATOM 0 HG23 THR A 184 16.373 -1.328 -2.417 1.00 0.49 H new ATOM 1986 N MET A 185 13.361 -1.139 -1.952 1.00 0.49 N ATOM 1987 CA MET A 185 12.418 -2.114 -1.435 1.00 0.51 C ATOM 1988 C MET A 185 13.162 -3.205 -0.677 1.00 0.60 C ATOM 1989 O MET A 185 14.243 -3.632 -1.089 1.00 0.90 O ATOM 1990 CB MET A 185 11.609 -2.729 -2.576 1.00 0.77 C ATOM 1991 CG MET A 185 10.462 -3.606 -2.101 1.00 1.01 C ATOM 1992 SD MET A 185 9.271 -2.696 -1.098 1.00 1.35 S ATOM 1993 CE MET A 185 8.629 -1.525 -2.292 1.00 1.03 C ATOM 0 H MET A 185 13.717 -1.344 -2.886 1.00 0.49 H new ATOM 0 HA MET A 185 11.732 -1.610 -0.754 1.00 0.51 H new ATOM 0 HB2 MET A 185 11.210 -1.929 -3.200 1.00 0.77 H new ATOM 0 HB3 MET A 185 12.274 -3.322 -3.204 1.00 0.77 H new ATOM 0 HG2 MET A 185 9.954 -4.034 -2.965 1.00 1.01 H new ATOM 0 HG3 MET A 185 10.861 -4.438 -1.521 1.00 1.01 H new ATOM 0 HE1 MET A 185 8.232 -0.654 -1.770 1.00 1.03 H new ATOM 0 HE2 MET A 185 9.430 -1.213 -2.962 1.00 1.03 H new ATOM 0 HE3 MET A 185 7.834 -1.995 -2.871 1.00 1.03 H new ATOM 2003 N CYS A 186 12.602 -3.632 0.438 1.00 0.55 N ATOM 2004 CA CYS A 186 13.192 -4.697 1.228 1.00 0.81 C ATOM 2005 C CYS A 186 12.297 -5.929 1.214 1.00 0.71 C ATOM 2006 O CYS A 186 11.084 -5.839 1.416 1.00 0.65 O ATOM 2007 CB CYS A 186 13.418 -4.221 2.661 1.00 1.10 C ATOM 2008 SG CYS A 186 14.183 -5.444 3.747 1.00 1.73 S ATOM 0 H CYS A 186 11.734 -3.256 0.820 1.00 0.55 H new ATOM 0 HA CYS A 186 14.153 -4.966 0.791 1.00 0.81 H new ATOM 0 HB2 CYS A 186 14.046 -3.330 2.639 1.00 1.10 H new ATOM 0 HB3 CYS A 186 12.459 -3.925 3.087 1.00 1.10 H new ATOM 0 HG CYS A 186 14.331 -4.937 4.935 1.00 1.73 H new ATOM 2014 N GLN A 187 12.902 -7.074 0.959 1.00 0.81 N ATOM 2015 CA GLN A 187 12.186 -8.331 0.963 1.00 0.79 C ATOM 2016 C GLN A 187 12.835 -9.259 1.979 1.00 0.87 C ATOM 2017 O GLN A 187 13.930 -9.777 1.757 1.00 1.01 O ATOM 2018 CB GLN A 187 12.189 -8.945 -0.445 1.00 0.95 C ATOM 2019 CG GLN A 187 11.214 -10.101 -0.627 1.00 1.08 C ATOM 2020 CD GLN A 187 11.734 -11.412 -0.077 1.00 1.47 C ATOM 2021 OE1 GLN A 187 12.936 -11.678 -0.093 1.00 1.93 O ATOM 2022 NE2 GLN A 187 10.833 -12.240 0.420 1.00 1.60 N ATOM 0 H GLN A 187 13.896 -7.157 0.745 1.00 0.81 H new ATOM 0 HA GLN A 187 11.146 -8.172 1.246 1.00 0.79 H new ATOM 0 HB2 GLN A 187 11.950 -8.166 -1.169 1.00 0.95 H new ATOM 0 HB3 GLN A 187 13.196 -9.295 -0.674 1.00 0.95 H new ATOM 0 HG2 GLN A 187 10.273 -9.855 -0.134 1.00 1.08 H new ATOM 0 HG3 GLN A 187 10.996 -10.221 -1.688 1.00 1.08 H new ATOM 0 HE21 GLN A 187 9.846 -11.983 0.415 1.00 1.60 H new ATOM 0 HE22 GLN A 187 11.124 -13.137 0.809 1.00 1.60 H new ATOM 2031 N ILE A 188 12.170 -9.438 3.108 1.00 0.82 N ATOM 2032 CA ILE A 188 12.711 -10.230 4.202 1.00 0.92 C ATOM 2033 C ILE A 188 11.627 -11.080 4.835 1.00 0.95 C ATOM 2034 O ILE A 188 10.482 -10.651 4.937 1.00 0.87 O ATOM 2035 CB ILE A 188 13.351 -9.342 5.292 1.00 0.99 C ATOM 2036 CG1 ILE A 188 12.406 -8.201 5.675 1.00 0.96 C ATOM 2037 CG2 ILE A 188 14.681 -8.789 4.814 1.00 1.07 C ATOM 2038 CD1 ILE A 188 12.891 -7.367 6.841 1.00 1.11 C ATOM 0 H ILE A 188 11.248 -9.043 3.292 1.00 0.82 H new ATOM 0 HA ILE A 188 13.483 -10.871 3.776 1.00 0.92 H new ATOM 0 HB ILE A 188 13.529 -9.956 6.175 1.00 0.99 H new ATOM 0 HG12 ILE A 188 12.267 -7.552 4.810 1.00 0.96 H new ATOM 0 HG13 ILE A 188 11.430 -8.618 5.921 1.00 0.96 H new ATOM 0 HG21 ILE A 188 15.118 -8.166 5.594 1.00 1.07 H new ATOM 0 HG22 ILE A 188 15.357 -9.613 4.587 1.00 1.07 H new ATOM 0 HG23 ILE A 188 14.525 -8.190 3.917 1.00 1.07 H new ATOM 0 HD11 ILE A 188 12.167 -6.580 7.051 1.00 1.11 H new ATOM 0 HD12 ILE A 188 13.003 -8.001 7.720 1.00 1.11 H new ATOM 0 HD13 ILE A 188 13.853 -6.919 6.592 1.00 1.11 H new ATOM 2050 N SER A 189 11.992 -12.289 5.235 1.00 1.12 N ATOM 2051 CA SER A 189 11.073 -13.200 5.907 1.00 1.23 C ATOM 2052 C SER A 189 9.837 -13.463 5.047 1.00 1.13 C ATOM 2053 O SER A 189 8.716 -13.543 5.555 1.00 1.15 O ATOM 2054 CB SER A 189 10.677 -12.631 7.272 1.00 1.31 C ATOM 2055 OG SER A 189 11.830 -12.373 8.065 1.00 1.86 O ATOM 0 H SER A 189 12.930 -12.667 5.104 1.00 1.12 H new ATOM 0 HA SER A 189 11.578 -14.154 6.060 1.00 1.23 H new ATOM 0 HB2 SER A 189 10.110 -11.710 7.137 1.00 1.31 H new ATOM 0 HB3 SER A 189 10.024 -13.334 7.789 1.00 1.31 H new ATOM 0 HG SER A 189 11.556 -12.008 8.932 1.00 1.86 H new ATOM 2061 N GLU A 190 10.062 -13.569 3.735 1.00 1.11 N ATOM 2062 CA GLU A 190 9.011 -13.887 2.766 1.00 1.13 C ATOM 2063 C GLU A 190 7.986 -12.755 2.634 1.00 0.96 C ATOM 2064 O GLU A 190 6.985 -12.901 1.931 1.00 1.05 O ATOM 2065 CB GLU A 190 8.300 -15.191 3.151 1.00 1.34 C ATOM 2066 CG GLU A 190 9.239 -16.376 3.331 1.00 1.74 C ATOM 2067 CD GLU A 190 9.921 -16.787 2.045 1.00 2.26 C ATOM 2068 OE1 GLU A 190 9.453 -17.750 1.403 1.00 2.66 O ATOM 2069 OE2 GLU A 190 10.934 -16.163 1.671 1.00 2.83 O ATOM 0 H GLU A 190 10.981 -13.436 3.314 1.00 1.11 H new ATOM 0 HA GLU A 190 9.496 -14.011 1.798 1.00 1.13 H new ATOM 0 HB2 GLU A 190 7.749 -15.033 4.078 1.00 1.34 H new ATOM 0 HB3 GLU A 190 7.567 -15.434 2.382 1.00 1.34 H new ATOM 0 HG2 GLU A 190 9.996 -16.124 4.073 1.00 1.74 H new ATOM 0 HG3 GLU A 190 8.676 -17.223 3.725 1.00 1.74 H new ATOM 2076 N GLN A 191 8.241 -11.626 3.286 1.00 0.81 N ATOM 2077 CA GLN A 191 7.298 -10.516 3.280 1.00 0.71 C ATOM 2078 C GLN A 191 7.971 -9.234 2.795 1.00 0.61 C ATOM 2079 O GLN A 191 9.199 -9.129 2.783 1.00 0.65 O ATOM 2080 CB GLN A 191 6.695 -10.323 4.678 1.00 0.78 C ATOM 2081 CG GLN A 191 7.713 -9.954 5.746 1.00 0.87 C ATOM 2082 CD GLN A 191 7.136 -9.950 7.150 1.00 1.15 C ATOM 2083 OE1 GLN A 191 5.850 -9.666 7.270 1.00 1.75 O flip ATOM 2084 NE2 GLN A 191 7.846 -10.207 8.125 1.00 1.46 N flip ATOM 0 H GLN A 191 9.091 -11.456 3.824 1.00 0.81 H new ATOM 0 HA GLN A 191 6.491 -10.752 2.586 1.00 0.71 H new ATOM 0 HB2 GLN A 191 5.935 -9.543 4.630 1.00 0.78 H new ATOM 0 HB3 GLN A 191 6.190 -11.242 4.974 1.00 0.78 H new ATOM 0 HG2 GLN A 191 8.544 -10.658 5.704 1.00 0.87 H new ATOM 0 HG3 GLN A 191 8.120 -8.967 5.525 1.00 0.87 H new ATOM 0 HE21 GLN A 191 8.834 -10.422 7.994 1.00 1.46 H new ATOM 0 HE22 GLN A 191 7.445 -10.205 9.063 1.00 1.46 H new ATOM 2093 N ILE A 192 7.155 -8.275 2.380 1.00 0.56 N ATOM 2094 CA ILE A 192 7.648 -7.026 1.816 1.00 0.50 C ATOM 2095 C ILE A 192 7.699 -5.917 2.863 1.00 0.47 C ATOM 2096 O ILE A 192 6.778 -5.766 3.670 1.00 0.61 O ATOM 2097 CB ILE A 192 6.750 -6.574 0.640 1.00 0.65 C ATOM 2098 CG1 ILE A 192 6.764 -7.627 -0.468 1.00 0.89 C ATOM 2099 CG2 ILE A 192 7.191 -5.222 0.096 1.00 0.64 C ATOM 2100 CD1 ILE A 192 8.135 -7.867 -1.063 1.00 1.01 C ATOM 0 H ILE A 192 6.138 -8.340 2.424 1.00 0.56 H new ATOM 0 HA ILE A 192 8.661 -7.210 1.458 1.00 0.50 H new ATOM 0 HB ILE A 192 5.732 -6.466 1.013 1.00 0.65 H new ATOM 0 HG12 ILE A 192 6.381 -8.566 -0.069 1.00 0.89 H new ATOM 0 HG13 ILE A 192 6.083 -7.317 -1.261 1.00 0.89 H new ATOM 0 HG21 ILE A 192 6.541 -4.932 -0.729 1.00 0.64 H new ATOM 0 HG22 ILE A 192 7.130 -4.474 0.887 1.00 0.64 H new ATOM 0 HG23 ILE A 192 8.219 -5.291 -0.259 1.00 0.64 H new ATOM 0 HD11 ILE A 192 8.066 -8.626 -1.842 1.00 1.01 H new ATOM 0 HD12 ILE A 192 8.512 -6.939 -1.493 1.00 1.01 H new ATOM 0 HD13 ILE A 192 8.815 -8.209 -0.283 1.00 1.01 H new ATOM 2112 N TYR A 193 8.790 -5.157 2.843 1.00 0.48 N ATOM 2113 CA TYR A 193 8.949 -3.986 3.692 1.00 0.68 C ATOM 2114 C TYR A 193 9.641 -2.865 2.923 1.00 0.50 C ATOM 2115 O TYR A 193 10.374 -3.115 1.969 1.00 0.47 O ATOM 2116 CB TYR A 193 9.750 -4.324 4.948 1.00 1.05 C ATOM 2117 CG TYR A 193 8.933 -4.981 6.036 1.00 1.54 C ATOM 2118 CD1 TYR A 193 9.241 -6.252 6.496 1.00 2.35 C ATOM 2119 CD2 TYR A 193 7.853 -4.319 6.604 1.00 1.86 C ATOM 2120 CE1 TYR A 193 8.495 -6.846 7.496 1.00 3.17 C ATOM 2121 CE2 TYR A 193 7.103 -4.905 7.604 1.00 2.49 C ATOM 2122 CZ TYR A 193 7.429 -6.167 8.047 1.00 3.09 C ATOM 2123 OH TYR A 193 6.680 -6.753 9.039 1.00 3.94 O ATOM 0 H TYR A 193 9.589 -5.338 2.235 1.00 0.48 H new ATOM 0 HA TYR A 193 7.956 -3.653 3.995 1.00 0.68 H new ATOM 0 HB2 TYR A 193 10.573 -4.985 4.676 1.00 1.05 H new ATOM 0 HB3 TYR A 193 10.193 -3.409 5.342 1.00 1.05 H new ATOM 0 HD1 TYR A 193 10.076 -6.786 6.067 1.00 2.35 H new ATOM 0 HD2 TYR A 193 7.595 -3.329 6.258 1.00 1.86 H new ATOM 0 HE1 TYR A 193 8.746 -7.837 7.844 1.00 3.17 H new ATOM 0 HE2 TYR A 193 6.266 -4.377 8.036 1.00 2.49 H new ATOM 0 HH TYR A 193 5.968 -6.140 9.317 1.00 3.94 H new ATOM 2133 N TYR A 194 9.411 -1.628 3.339 1.00 0.49 N ATOM 2134 CA TYR A 194 10.038 -0.488 2.689 1.00 0.41 C ATOM 2135 C TYR A 194 11.231 -0.026 3.504 1.00 0.40 C ATOM 2136 O TYR A 194 11.072 0.479 4.613 1.00 0.49 O ATOM 2137 CB TYR A 194 9.044 0.668 2.542 1.00 0.56 C ATOM 2138 CG TYR A 194 7.966 0.447 1.497 1.00 0.59 C ATOM 2139 CD1 TYR A 194 7.428 -0.813 1.299 1.00 0.80 C ATOM 2140 CD2 TYR A 194 7.478 1.492 0.725 1.00 0.78 C ATOM 2141 CE1 TYR A 194 6.439 -1.028 0.362 1.00 0.89 C ATOM 2142 CE2 TYR A 194 6.491 1.287 -0.218 1.00 0.85 C ATOM 2143 CZ TYR A 194 6.009 0.062 -0.438 1.00 0.80 C ATOM 2144 OH TYR A 194 4.984 -0.184 -1.327 1.00 0.92 O ATOM 0 H TYR A 194 8.799 -1.390 4.119 1.00 0.49 H new ATOM 0 HA TYR A 194 10.366 -0.796 1.696 1.00 0.41 H new ATOM 0 HB2 TYR A 194 8.566 0.844 3.506 1.00 0.56 H new ATOM 0 HB3 TYR A 194 9.595 1.574 2.290 1.00 0.56 H new ATOM 0 HD1 TYR A 194 7.789 -1.643 1.889 1.00 0.80 H new ATOM 0 HD2 TYR A 194 7.878 2.485 0.865 1.00 0.78 H new ATOM 0 HE1 TYR A 194 6.000 -2.007 0.240 1.00 0.89 H new ATOM 0 HE2 TYR A 194 6.106 2.124 -0.782 1.00 0.85 H new ATOM 0 HH TYR A 194 4.539 0.659 -1.555 1.00 0.92 H new ATOM 2154 N LYS A 195 12.420 -0.183 2.949 1.00 0.37 N ATOM 2155 CA LYS A 195 13.637 0.178 3.658 1.00 0.38 C ATOM 2156 C LYS A 195 14.171 1.497 3.143 1.00 0.39 C ATOM 2157 O LYS A 195 14.426 1.657 1.948 1.00 0.43 O ATOM 2158 CB LYS A 195 14.692 -0.927 3.512 1.00 0.40 C ATOM 2159 CG LYS A 195 16.035 -0.603 4.161 1.00 0.43 C ATOM 2160 CD LYS A 195 17.043 -0.046 3.161 1.00 0.46 C ATOM 2161 CE LYS A 195 17.410 -1.066 2.091 1.00 0.53 C ATOM 2162 NZ LYS A 195 18.005 -2.302 2.668 1.00 1.11 N ATOM 0 H LYS A 195 12.570 -0.557 2.012 1.00 0.37 H new ATOM 0 HA LYS A 195 13.404 0.289 4.717 1.00 0.38 H new ATOM 0 HB2 LYS A 195 14.302 -1.846 3.950 1.00 0.40 H new ATOM 0 HB3 LYS A 195 14.852 -1.123 2.452 1.00 0.40 H new ATOM 0 HG2 LYS A 195 15.884 0.121 4.962 1.00 0.43 H new ATOM 0 HG3 LYS A 195 16.441 -1.505 4.619 1.00 0.43 H new ATOM 0 HD2 LYS A 195 16.629 0.844 2.687 1.00 0.46 H new ATOM 0 HD3 LYS A 195 17.944 0.265 3.690 1.00 0.46 H new ATOM 0 HE2 LYS A 195 16.519 -1.327 1.520 1.00 0.53 H new ATOM 0 HE3 LYS A 195 18.116 -0.618 1.392 1.00 0.53 H new ATOM 0 HZ1 LYS A 195 18.437 -2.867 1.909 1.00 1.11 H new ATOM 0 HZ2 LYS A 195 18.733 -2.044 3.365 1.00 1.11 H new ATOM 0 HZ3 LYS A 195 17.262 -2.860 3.134 1.00 1.11 H new ATOM 2176 N VAL A 196 14.335 2.440 4.046 1.00 0.41 N ATOM 2177 CA VAL A 196 14.859 3.733 3.684 1.00 0.45 C ATOM 2178 C VAL A 196 16.357 3.758 3.914 1.00 0.43 C ATOM 2179 O VAL A 196 16.896 3.032 4.751 1.00 0.41 O ATOM 2180 CB VAL A 196 14.189 4.876 4.456 1.00 0.51 C ATOM 2181 CG1 VAL A 196 14.260 6.148 3.638 1.00 0.70 C ATOM 2182 CG2 VAL A 196 12.744 4.533 4.808 1.00 0.68 C ATOM 0 H VAL A 196 14.112 2.332 5.036 1.00 0.41 H new ATOM 0 HA VAL A 196 14.640 3.891 2.628 1.00 0.45 H new ATOM 0 HB VAL A 196 14.723 5.026 5.394 1.00 0.51 H new ATOM 0 HG11 VAL A 196 13.784 6.961 4.187 1.00 0.70 H new ATOM 0 HG12 VAL A 196 15.303 6.401 3.448 1.00 0.70 H new ATOM 0 HG13 VAL A 196 13.744 6.000 2.689 1.00 0.70 H new ATOM 0 HG21 VAL A 196 12.296 5.363 5.355 1.00 0.68 H new ATOM 0 HG22 VAL A 196 12.179 4.354 3.893 1.00 0.68 H new ATOM 0 HG23 VAL A 196 12.723 3.637 5.428 1.00 0.68 H new ATOM 2192 N ILE A 197 17.012 4.586 3.131 1.00 0.47 N ATOM 2193 CA ILE A 197 18.459 4.546 2.988 1.00 0.45 C ATOM 2194 C ILE A 197 19.134 5.453 3.995 1.00 0.45 C ATOM 2195 O ILE A 197 19.993 5.020 4.760 1.00 0.49 O ATOM 2196 CB ILE A 197 18.889 4.996 1.576 1.00 0.47 C ATOM 2197 CG1 ILE A 197 17.805 4.682 0.549 1.00 0.60 C ATOM 2198 CG2 ILE A 197 20.193 4.332 1.180 1.00 0.47 C ATOM 2199 CD1 ILE A 197 17.406 3.226 0.490 1.00 0.62 C ATOM 0 H ILE A 197 16.560 5.309 2.572 1.00 0.47 H new ATOM 0 HA ILE A 197 18.763 3.513 3.159 1.00 0.45 H new ATOM 0 HB ILE A 197 19.038 6.076 1.598 1.00 0.47 H new ATOM 0 HG12 ILE A 197 16.922 5.279 0.776 1.00 0.60 H new ATOM 0 HG13 ILE A 197 18.154 4.991 -0.436 1.00 0.60 H new ATOM 0 HG21 ILE A 197 20.480 4.661 0.181 1.00 0.47 H new ATOM 0 HG22 ILE A 197 20.972 4.607 1.891 1.00 0.47 H new ATOM 0 HG23 ILE A 197 20.065 3.249 1.182 1.00 0.47 H new ATOM 0 HD11 ILE A 197 16.632 3.091 -0.265 1.00 0.62 H new ATOM 0 HD12 ILE A 197 18.275 2.621 0.231 1.00 0.62 H new ATOM 0 HD13 ILE A 197 17.023 2.914 1.462 1.00 0.62 H new ATOM 2211 N LYS A 198 18.753 6.716 3.963 1.00 0.47 N ATOM 2212 CA LYS A 198 19.339 7.716 4.845 1.00 0.49 C ATOM 2213 C LYS A 198 18.318 8.765 5.273 1.00 0.48 C ATOM 2214 O LYS A 198 17.150 8.691 4.889 1.00 0.49 O ATOM 2215 CB LYS A 198 20.573 8.374 4.200 1.00 0.59 C ATOM 2216 CG LYS A 198 20.514 8.495 2.680 1.00 0.75 C ATOM 2217 CD LYS A 198 20.446 9.943 2.210 1.00 0.94 C ATOM 2218 CE LYS A 198 19.096 10.570 2.504 1.00 0.98 C ATOM 2219 NZ LYS A 198 19.001 11.959 1.985 1.00 1.38 N ATOM 0 H LYS A 198 18.037 7.078 3.333 1.00 0.47 H new ATOM 0 HA LYS A 198 19.667 7.197 5.746 1.00 0.49 H new ATOM 0 HB2 LYS A 198 20.700 9.370 4.625 1.00 0.59 H new ATOM 0 HB3 LYS A 198 21.458 7.797 4.470 1.00 0.59 H new ATOM 0 HG2 LYS A 198 21.393 8.017 2.247 1.00 0.75 H new ATOM 0 HG3 LYS A 198 19.642 7.955 2.310 1.00 0.75 H new ATOM 0 HD2 LYS A 198 21.229 10.521 2.700 1.00 0.94 H new ATOM 0 HD3 LYS A 198 20.641 9.987 1.138 1.00 0.94 H new ATOM 0 HE2 LYS A 198 18.309 9.962 2.058 1.00 0.98 H new ATOM 0 HE3 LYS A 198 18.925 10.573 3.580 1.00 0.98 H new ATOM 0 HZ1 LYS A 198 18.063 12.349 2.207 1.00 1.38 H new ATOM 0 HZ2 LYS A 198 19.735 12.547 2.430 1.00 1.38 H new ATOM 0 HZ3 LYS A 198 19.138 11.955 0.954 1.00 1.38 H new ATOM 2233 N ASP A 199 18.789 9.739 6.053 1.00 0.52 N ATOM 2234 CA ASP A 199 17.937 10.744 6.700 1.00 0.56 C ATOM 2235 C ASP A 199 16.889 11.354 5.767 1.00 0.55 C ATOM 2236 O ASP A 199 17.189 11.763 4.640 1.00 0.67 O ATOM 2237 CB ASP A 199 18.817 11.852 7.290 1.00 0.67 C ATOM 2238 CG ASP A 199 18.025 12.973 7.941 1.00 1.56 C ATOM 2239 OD1 ASP A 199 17.686 12.855 9.141 1.00 2.23 O ATOM 2240 OD2 ASP A 199 17.705 13.960 7.248 1.00 2.13 O ATOM 0 H ASP A 199 19.782 9.856 6.257 1.00 0.52 H new ATOM 0 HA ASP A 199 17.383 10.229 7.485 1.00 0.56 H new ATOM 0 HB2 ASP A 199 19.489 11.416 8.029 1.00 0.67 H new ATOM 0 HB3 ASP A 199 19.440 12.270 6.499 1.00 0.67 H new ATOM 2245 N ILE A 200 15.659 11.409 6.258 1.00 0.52 N ATOM 2246 CA ILE A 200 14.565 12.056 5.547 1.00 0.55 C ATOM 2247 C ILE A 200 14.296 13.436 6.132 1.00 0.54 C ATOM 2248 O ILE A 200 14.216 13.600 7.352 1.00 0.57 O ATOM 2249 CB ILE A 200 13.251 11.236 5.610 1.00 0.63 C ATOM 2250 CG1 ILE A 200 13.358 9.953 4.784 1.00 0.69 C ATOM 2251 CG2 ILE A 200 12.068 12.074 5.132 1.00 0.80 C ATOM 2252 CD1 ILE A 200 13.616 10.196 3.310 1.00 0.88 C ATOM 0 H ILE A 200 15.392 11.008 7.157 1.00 0.52 H new ATOM 0 HA ILE A 200 14.877 12.132 4.505 1.00 0.55 H new ATOM 0 HB ILE A 200 13.085 10.958 6.651 1.00 0.63 H new ATOM 0 HG12 ILE A 200 14.162 9.338 5.188 1.00 0.69 H new ATOM 0 HG13 ILE A 200 12.435 9.383 4.893 1.00 0.69 H new ATOM 0 HG21 ILE A 200 11.156 11.479 5.184 1.00 0.80 H new ATOM 0 HG22 ILE A 200 11.965 12.953 5.768 1.00 0.80 H new ATOM 0 HG23 ILE A 200 12.237 12.388 4.102 1.00 0.80 H new ATOM 0 HD11 ILE A 200 13.680 9.240 2.789 1.00 0.88 H new ATOM 0 HD12 ILE A 200 12.800 10.784 2.890 1.00 0.88 H new ATOM 0 HD13 ILE A 200 14.554 10.738 3.189 1.00 0.88 H new ATOM 2264 N GLU A 201 14.170 14.420 5.261 1.00 0.55 N ATOM 2265 CA GLU A 201 13.767 15.751 5.666 1.00 0.57 C ATOM 2266 C GLU A 201 12.247 15.854 5.620 1.00 0.49 C ATOM 2267 O GLU A 201 11.632 15.520 4.611 1.00 0.55 O ATOM 2268 CB GLU A 201 14.417 16.789 4.756 1.00 0.68 C ATOM 2269 CG GLU A 201 15.933 16.783 4.845 1.00 0.81 C ATOM 2270 CD GLU A 201 16.585 17.610 3.764 1.00 1.29 C ATOM 2271 OE1 GLU A 201 16.828 18.811 3.998 1.00 1.51 O ATOM 2272 OE2 GLU A 201 16.849 17.073 2.673 1.00 2.06 O ATOM 0 H GLU A 201 14.343 14.319 4.261 1.00 0.55 H new ATOM 0 HA GLU A 201 14.097 15.944 6.687 1.00 0.57 H new ATOM 0 HB2 GLU A 201 14.117 16.600 3.725 1.00 0.68 H new ATOM 0 HB3 GLU A 201 14.046 17.780 5.019 1.00 0.68 H new ATOM 0 HG2 GLU A 201 16.237 17.163 5.820 1.00 0.81 H new ATOM 0 HG3 GLU A 201 16.292 15.756 4.777 1.00 0.81 H new ATOM 2279 N PRO A 202 11.622 16.281 6.734 1.00 0.43 N ATOM 2280 CA PRO A 202 10.162 16.361 6.849 1.00 0.43 C ATOM 2281 C PRO A 202 9.511 17.051 5.656 1.00 0.45 C ATOM 2282 O PRO A 202 9.754 18.232 5.398 1.00 0.51 O ATOM 2283 CB PRO A 202 9.955 17.184 8.121 1.00 0.49 C ATOM 2284 CG PRO A 202 11.162 16.905 8.945 1.00 0.49 C ATOM 2285 CD PRO A 202 12.295 16.715 7.973 1.00 0.45 C ATOM 0 HA PRO A 202 9.705 15.372 6.880 1.00 0.43 H new ATOM 0 HB2 PRO A 202 9.865 18.247 7.896 1.00 0.49 H new ATOM 0 HB3 PRO A 202 9.043 16.890 8.640 1.00 0.49 H new ATOM 0 HG2 PRO A 202 11.368 17.730 9.627 1.00 0.49 H new ATOM 0 HG3 PRO A 202 11.019 16.014 9.556 1.00 0.49 H new ATOM 0 HD2 PRO A 202 12.853 17.639 7.823 1.00 0.45 H new ATOM 0 HD3 PRO A 202 13.005 15.967 8.326 1.00 0.45 H new ATOM 2293 N GLY A 203 8.687 16.309 4.932 1.00 0.44 N ATOM 2294 CA GLY A 203 8.010 16.863 3.783 1.00 0.52 C ATOM 2295 C GLY A 203 8.301 16.113 2.495 1.00 0.54 C ATOM 2296 O GLY A 203 7.723 16.425 1.455 1.00 0.70 O ATOM 0 H GLY A 203 8.476 15.329 5.122 1.00 0.44 H new ATOM 0 HA2 GLY A 203 6.935 16.856 3.965 1.00 0.52 H new ATOM 0 HA3 GLY A 203 8.306 17.905 3.663 1.00 0.52 H new ATOM 2300 N GLU A 204 9.194 15.131 2.546 1.00 0.48 N ATOM 2301 CA GLU A 204 9.502 14.348 1.355 1.00 0.51 C ATOM 2302 C GLU A 204 9.730 12.874 1.682 1.00 0.39 C ATOM 2303 O GLU A 204 10.616 12.527 2.453 1.00 0.40 O ATOM 2304 CB GLU A 204 10.742 14.923 0.664 1.00 0.65 C ATOM 2305 CG GLU A 204 11.934 15.096 1.594 1.00 0.71 C ATOM 2306 CD GLU A 204 13.092 15.807 0.930 1.00 0.99 C ATOM 2307 OE1 GLU A 204 13.983 15.122 0.386 1.00 1.16 O ATOM 2308 OE2 GLU A 204 13.125 17.054 0.949 1.00 1.27 O ATOM 0 H GLU A 204 9.710 14.861 3.384 1.00 0.48 H new ATOM 0 HA GLU A 204 8.642 14.409 0.688 1.00 0.51 H new ATOM 0 HB2 GLU A 204 11.026 14.267 -0.159 1.00 0.65 H new ATOM 0 HB3 GLU A 204 10.489 15.889 0.228 1.00 0.65 H new ATOM 0 HG2 GLU A 204 11.624 15.658 2.475 1.00 0.71 H new ATOM 0 HG3 GLU A 204 12.264 14.117 1.941 1.00 0.71 H new ATOM 2315 N GLU A 205 8.913 12.019 1.084 1.00 0.47 N ATOM 2316 CA GLU A 205 9.111 10.582 1.153 1.00 0.51 C ATOM 2317 C GLU A 205 9.493 10.040 -0.209 1.00 0.43 C ATOM 2318 O GLU A 205 8.784 10.268 -1.192 1.00 0.49 O ATOM 2319 CB GLU A 205 7.851 9.874 1.642 1.00 0.80 C ATOM 2320 CG GLU A 205 7.599 10.025 3.131 1.00 1.49 C ATOM 2321 CD GLU A 205 8.659 9.339 3.962 1.00 2.41 C ATOM 2322 OE1 GLU A 205 9.640 10.007 4.335 1.00 2.84 O ATOM 2323 OE2 GLU A 205 8.509 8.132 4.238 1.00 2.92 O ATOM 0 H GLU A 205 8.098 12.302 0.540 1.00 0.47 H new ATOM 0 HA GLU A 205 9.916 10.392 1.863 1.00 0.51 H new ATOM 0 HB2 GLU A 205 6.992 10.265 1.097 1.00 0.80 H new ATOM 0 HB3 GLU A 205 7.926 8.813 1.402 1.00 0.80 H new ATOM 0 HG2 GLU A 205 7.568 11.084 3.387 1.00 1.49 H new ATOM 0 HG3 GLU A 205 6.622 9.609 3.376 1.00 1.49 H new ATOM 2330 N LEU A 206 10.605 9.337 -0.280 1.00 0.37 N ATOM 2331 CA LEU A 206 10.970 8.644 -1.501 1.00 0.36 C ATOM 2332 C LEU A 206 11.077 7.161 -1.204 1.00 0.36 C ATOM 2333 O LEU A 206 12.057 6.725 -0.614 1.00 0.39 O ATOM 2334 CB LEU A 206 12.314 9.154 -2.063 1.00 0.41 C ATOM 2335 CG LEU A 206 12.379 10.638 -2.465 1.00 0.44 C ATOM 2336 CD1 LEU A 206 11.169 11.034 -3.297 1.00 0.90 C ATOM 2337 CD2 LEU A 206 12.518 11.534 -1.242 1.00 0.84 C ATOM 0 H LEU A 206 11.269 9.230 0.487 1.00 0.37 H new ATOM 0 HA LEU A 206 10.202 8.833 -2.251 1.00 0.36 H new ATOM 0 HB2 LEU A 206 13.086 8.970 -1.316 1.00 0.41 H new ATOM 0 HB3 LEU A 206 12.567 8.554 -2.937 1.00 0.41 H new ATOM 0 HG LEU A 206 13.268 10.775 -3.081 1.00 0.44 H new ATOM 0 HD11 LEU A 206 11.242 12.088 -3.567 1.00 0.90 H new ATOM 0 HD12 LEU A 206 11.137 10.429 -4.203 1.00 0.90 H new ATOM 0 HD13 LEU A 206 10.260 10.870 -2.718 1.00 0.90 H new ATOM 0 HD21 LEU A 206 12.561 12.576 -1.558 1.00 0.84 H new ATOM 0 HD22 LEU A 206 11.660 11.389 -0.585 1.00 0.84 H new ATOM 0 HD23 LEU A 206 13.432 11.279 -0.706 1.00 0.84 H new ATOM 2349 N LEU A 207 10.056 6.396 -1.583 1.00 0.37 N ATOM 2350 CA LEU A 207 10.053 4.945 -1.361 1.00 0.40 C ATOM 2351 C LEU A 207 9.377 4.213 -2.529 1.00 0.43 C ATOM 2352 O LEU A 207 8.177 4.361 -2.732 1.00 0.53 O ATOM 2353 CB LEU A 207 9.312 4.600 -0.056 1.00 0.43 C ATOM 2354 CG LEU A 207 10.085 4.788 1.267 1.00 0.45 C ATOM 2355 CD1 LEU A 207 11.531 4.319 1.147 1.00 0.49 C ATOM 2356 CD2 LEU A 207 10.021 6.232 1.750 1.00 0.44 C ATOM 0 H LEU A 207 9.219 6.752 -2.045 1.00 0.37 H new ATOM 0 HA LEU A 207 11.091 4.620 -1.288 1.00 0.40 H new ATOM 0 HB2 LEU A 207 8.410 5.209 -0.009 1.00 0.43 H new ATOM 0 HB3 LEU A 207 8.991 3.560 -0.115 1.00 0.43 H new ATOM 0 HG LEU A 207 9.596 4.163 2.014 1.00 0.45 H new ATOM 0 HD11 LEU A 207 12.042 4.468 2.098 1.00 0.49 H new ATOM 0 HD12 LEU A 207 11.550 3.261 0.886 1.00 0.49 H new ATOM 0 HD13 LEU A 207 12.036 4.893 0.370 1.00 0.49 H new ATOM 0 HD21 LEU A 207 10.576 6.328 2.683 1.00 0.44 H new ATOM 0 HD22 LEU A 207 10.460 6.887 0.998 1.00 0.44 H new ATOM 0 HD23 LEU A 207 8.981 6.515 1.915 1.00 0.44 H new ATOM 2368 N VAL A 208 10.134 3.425 -3.295 1.00 0.43 N ATOM 2369 CA VAL A 208 9.552 2.639 -4.382 1.00 0.50 C ATOM 2370 C VAL A 208 10.390 1.393 -4.676 1.00 0.57 C ATOM 2371 O VAL A 208 11.562 1.316 -4.300 1.00 0.59 O ATOM 2372 CB VAL A 208 9.429 3.464 -5.684 1.00 0.48 C ATOM 2373 CG1 VAL A 208 10.740 3.467 -6.448 1.00 0.91 C ATOM 2374 CG2 VAL A 208 8.297 2.938 -6.553 1.00 0.88 C ATOM 0 H VAL A 208 11.142 3.315 -3.184 1.00 0.43 H new ATOM 0 HA VAL A 208 8.557 2.344 -4.048 1.00 0.50 H new ATOM 0 HB VAL A 208 9.195 4.493 -5.411 1.00 0.48 H new ATOM 0 HG11 VAL A 208 10.628 4.054 -7.360 1.00 0.91 H new ATOM 0 HG12 VAL A 208 11.522 3.906 -5.828 1.00 0.91 H new ATOM 0 HG13 VAL A 208 11.013 2.444 -6.706 1.00 0.91 H new ATOM 0 HG21 VAL A 208 8.230 3.534 -7.463 1.00 0.88 H new ATOM 0 HG22 VAL A 208 8.492 1.898 -6.814 1.00 0.88 H new ATOM 0 HG23 VAL A 208 7.357 3.005 -6.005 1.00 0.88 H new ATOM 2384 N HIS A 209 9.769 0.417 -5.323 1.00 0.69 N ATOM 2385 CA HIS A 209 10.491 -0.706 -5.906 1.00 0.82 C ATOM 2386 C HIS A 209 10.774 -0.396 -7.371 1.00 0.94 C ATOM 2387 O HIS A 209 9.846 -0.316 -8.179 1.00 1.09 O ATOM 2388 CB HIS A 209 9.660 -1.992 -5.798 1.00 1.02 C ATOM 2389 CG HIS A 209 10.358 -3.225 -6.299 1.00 1.20 C ATOM 2390 ND1 HIS A 209 11.037 -4.167 -5.607 1.00 1.42 N flip ATOM 2391 CD2 HIS A 209 10.376 -3.555 -7.632 1.00 1.41 C flip ATOM 2392 CE1 HIS A 209 11.482 -5.089 -6.513 1.00 1.54 C flip ATOM 2393 NE2 HIS A 209 11.062 -4.682 -7.717 1.00 1.55 N flip ATOM 0 H HIS A 209 8.759 0.380 -5.458 1.00 0.69 H new ATOM 0 HA HIS A 209 11.426 -0.856 -5.367 1.00 0.82 H new ATOM 0 HB2 HIS A 209 9.383 -2.145 -4.755 1.00 1.02 H new ATOM 0 HB3 HIS A 209 8.734 -1.860 -6.358 1.00 1.02 H new ATOM 0 HD2 HIS A 209 9.923 -3.006 -8.444 1.00 1.41 H new ATOM 0 HE1 HIS A 209 12.061 -5.975 -6.299 1.00 1.54 H new ATOM 0 HE2 HIS A 209 11.248 -5.178 -8.589 1.00 1.55 H new ATOM 2401 N VAL A 210 12.036 -0.196 -7.716 1.00 1.14 N ATOM 2402 CA VAL A 210 12.389 0.115 -9.092 1.00 1.45 C ATOM 2403 C VAL A 210 13.642 -0.645 -9.538 1.00 1.58 C ATOM 2404 O VAL A 210 14.772 -0.212 -9.302 1.00 1.82 O ATOM 2405 CB VAL A 210 12.558 1.646 -9.306 1.00 1.92 C ATOM 2406 CG1 VAL A 210 13.571 2.243 -8.335 1.00 2.56 C ATOM 2407 CG2 VAL A 210 12.941 1.954 -10.748 1.00 2.44 C ATOM 0 H VAL A 210 12.825 -0.243 -7.071 1.00 1.14 H new ATOM 0 HA VAL A 210 11.561 -0.217 -9.718 1.00 1.45 H new ATOM 0 HB VAL A 210 11.595 2.113 -9.100 1.00 1.92 H new ATOM 0 HG11 VAL A 210 13.661 3.314 -8.516 1.00 2.56 H new ATOM 0 HG12 VAL A 210 13.237 2.075 -7.311 1.00 2.56 H new ATOM 0 HG13 VAL A 210 14.541 1.767 -8.483 1.00 2.56 H new ATOM 0 HG21 VAL A 210 13.053 3.031 -10.873 1.00 2.44 H new ATOM 0 HG22 VAL A 210 13.883 1.461 -10.988 1.00 2.44 H new ATOM 0 HG23 VAL A 210 12.161 1.591 -11.417 1.00 2.44 H new