USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=20 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 167 SER OG : rot 180:sc= 0.937 USER MOD Set 1.2: A 170 LYS NZ :NH3+ -148:sc= 1.07 (180deg=-0.204) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -166:sc= 0.293 (180deg=0.0123) USER MOD Single : A 103 LYS NZ :NH3+ -172:sc= 0.555 (180deg=0.238) USER MOD Single : A 104 MET CE :methyl -116:sc= -2.15! (180deg=-2.95!) USER MOD Single : A 113 CYS SG : rot 180:sc= -0.106 USER MOD Single : A 171 TYR OH : rot 180:sc= 0 USER MOD Single : A 176 CYS SG : rot -34:sc= -1.56 USER MOD Single : A 177 SER OG : rot 180:sc= 0 USER MOD Single : A 178 CYS SG : rot -32:sc= 0.0255 USER MOD Single : A 181 GLN : amide:sc= -1.96 K(o=-2,f=-5.9!) USER MOD Single : A 182 ASN : amide:sc= -8.18! C(o=-8.2!,f=-13!) USER MOD Single : A 184 THR OG1 : rot 1:sc= 0.409 USER MOD Single : A 185 MET CE :methyl -141:sc= -2.57! (180deg=-3.18) USER MOD Single : A 186 CYS SG : rot 180:sc= -0.0385 USER MOD Single : A 187 GLN :FLIP amide:sc= -0.301 F(o=-0.86,f=-0.3) USER MOD Single : A 189 SER OG : rot 180:sc= 0 USER MOD Single : A 191 GLN : amide:sc= -0.634 K(o=-0.63,f=-2.3!) USER MOD Single : A 193 TYR OH : rot 180:sc= 0 USER MOD Single : A 194 TYR OH : rot 137:sc= 0.177 USER MOD Single : A 195 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 198 LYS NZ :NH3+ -178:sc= 0.741 (180deg=0.739) USER MOD Single : A 209 HIS : no HD1:sc= -0.0756 X(o=-0.076,f=0) USER MOD ----------------------------------------------------------------- ATOM 388 N ILE A 78 -7.731 5.226 5.689 1.00 1.90 N ATOM 389 CA ILE A 78 -6.709 4.209 5.904 1.00 1.74 C ATOM 390 C ILE A 78 -5.748 4.626 7.013 1.00 1.48 C ATOM 391 O ILE A 78 -5.154 5.704 6.957 1.00 1.42 O ATOM 392 CB ILE A 78 -5.908 3.938 4.606 1.00 1.86 C ATOM 393 CG1 ILE A 78 -6.832 3.385 3.517 1.00 2.18 C ATOM 394 CG2 ILE A 78 -4.758 2.973 4.872 1.00 1.84 C ATOM 395 CD1 ILE A 78 -6.144 3.178 2.184 1.00 2.45 C ATOM 0 HA ILE A 78 -7.222 3.294 6.201 1.00 1.74 H new ATOM 0 HB ILE A 78 -5.486 4.881 4.259 1.00 1.86 H new ATOM 0 HG12 ILE A 78 -7.247 2.435 3.853 1.00 2.18 H new ATOM 0 HG13 ILE A 78 -7.670 4.069 3.381 1.00 2.18 H new ATOM 0 HG21 ILE A 78 -4.209 2.797 3.947 1.00 1.84 H new ATOM 0 HG22 ILE A 78 -4.087 3.403 5.616 1.00 1.84 H new ATOM 0 HG23 ILE A 78 -5.154 2.028 5.244 1.00 1.84 H new ATOM 0 HD11 ILE A 78 -6.860 2.785 1.462 1.00 2.45 H new ATOM 0 HD12 ILE A 78 -5.752 4.130 1.825 1.00 2.45 H new ATOM 0 HD13 ILE A 78 -5.324 2.470 2.304 1.00 2.45 H new ATOM 407 N PRO A 79 -5.614 3.786 8.055 1.00 1.44 N ATOM 408 CA PRO A 79 -4.679 4.028 9.154 1.00 1.27 C ATOM 409 C PRO A 79 -3.226 3.994 8.695 1.00 1.11 C ATOM 410 O PRO A 79 -2.756 2.994 8.149 1.00 1.23 O ATOM 411 CB PRO A 79 -4.951 2.883 10.137 1.00 1.50 C ATOM 412 CG PRO A 79 -6.269 2.321 9.734 1.00 1.75 C ATOM 413 CD PRO A 79 -6.376 2.543 8.254 1.00 1.70 C ATOM 0 HA PRO A 79 -4.824 5.017 9.589 1.00 1.27 H new ATOM 0 HB2 PRO A 79 -4.169 2.126 10.085 1.00 1.50 H new ATOM 0 HB3 PRO A 79 -4.976 3.245 11.165 1.00 1.50 H new ATOM 0 HG2 PRO A 79 -6.331 1.260 9.975 1.00 1.75 H new ATOM 0 HG3 PRO A 79 -7.083 2.816 10.263 1.00 1.75 H new ATOM 0 HD2 PRO A 79 -5.951 1.713 7.689 1.00 1.70 H new ATOM 0 HD3 PRO A 79 -7.413 2.649 7.935 1.00 1.70 H new ATOM 421 N ILE A 80 -2.531 5.097 8.908 1.00 0.93 N ATOM 422 CA ILE A 80 -1.122 5.201 8.571 1.00 0.82 C ATOM 423 C ILE A 80 -0.348 5.693 9.789 1.00 0.72 C ATOM 424 O ILE A 80 -0.920 6.355 10.656 1.00 0.74 O ATOM 425 CB ILE A 80 -0.865 6.166 7.376 1.00 0.86 C ATOM 426 CG1 ILE A 80 -1.229 7.618 7.730 1.00 0.89 C ATOM 427 CG2 ILE A 80 -1.645 5.716 6.147 1.00 1.01 C ATOM 428 CD1 ILE A 80 -2.718 7.901 7.762 1.00 0.99 C ATOM 0 H ILE A 80 -2.926 5.944 9.318 1.00 0.93 H new ATOM 0 HA ILE A 80 -0.783 4.209 8.271 1.00 0.82 H new ATOM 0 HB ILE A 80 0.201 6.132 7.153 1.00 0.86 H new ATOM 0 HG12 ILE A 80 -0.805 7.859 8.705 1.00 0.89 H new ATOM 0 HG13 ILE A 80 -0.761 8.284 7.005 1.00 0.89 H new ATOM 0 HG21 ILE A 80 -1.453 6.403 5.323 1.00 1.01 H new ATOM 0 HG22 ILE A 80 -1.330 4.712 5.864 1.00 1.01 H new ATOM 0 HG23 ILE A 80 -2.711 5.711 6.374 1.00 1.01 H new ATOM 0 HD11 ILE A 80 -2.884 8.947 8.020 1.00 0.99 H new ATOM 0 HD12 ILE A 80 -3.148 7.696 6.782 1.00 0.99 H new ATOM 0 HD13 ILE A 80 -3.194 7.264 8.508 1.00 0.99 H new ATOM 440 N PRO A 81 0.947 5.352 9.891 1.00 0.68 N ATOM 441 CA PRO A 81 1.801 5.829 10.983 1.00 0.67 C ATOM 442 C PRO A 81 1.822 7.354 11.060 1.00 0.64 C ATOM 443 O PRO A 81 1.845 8.037 10.034 1.00 0.61 O ATOM 444 CB PRO A 81 3.183 5.278 10.629 1.00 0.69 C ATOM 445 CG PRO A 81 2.910 4.111 9.747 1.00 0.71 C ATOM 446 CD PRO A 81 1.677 4.468 8.967 1.00 0.73 C ATOM 0 HA PRO A 81 1.448 5.499 11.960 1.00 0.67 H new ATOM 0 HB2 PRO A 81 3.789 6.027 10.119 1.00 0.69 H new ATOM 0 HB3 PRO A 81 3.731 4.979 11.523 1.00 0.69 H new ATOM 0 HG2 PRO A 81 3.752 3.918 9.082 1.00 0.71 H new ATOM 0 HG3 PRO A 81 2.753 3.206 10.333 1.00 0.71 H new ATOM 0 HD2 PRO A 81 1.922 4.974 8.033 1.00 0.73 H new ATOM 0 HD3 PRO A 81 1.093 3.585 8.707 1.00 0.73 H new ATOM 454 N ALA A 82 1.833 7.876 12.281 1.00 0.75 N ATOM 455 CA ALA A 82 1.666 9.308 12.524 1.00 0.80 C ATOM 456 C ALA A 82 2.820 10.146 11.972 1.00 0.71 C ATOM 457 O ALA A 82 2.720 11.370 11.901 1.00 0.78 O ATOM 458 CB ALA A 82 1.502 9.561 14.015 1.00 1.04 C ATOM 0 H ALA A 82 1.957 7.323 13.129 1.00 0.75 H new ATOM 0 HA ALA A 82 0.769 9.621 11.990 1.00 0.80 H new ATOM 0 HB1 ALA A 82 1.378 10.629 14.191 1.00 1.04 H new ATOM 0 HB2 ALA A 82 0.624 9.029 14.380 1.00 1.04 H new ATOM 0 HB3 ALA A 82 2.387 9.206 14.544 1.00 1.04 H new ATOM 464 N ASP A 83 3.909 9.495 11.589 1.00 0.67 N ATOM 465 CA ASP A 83 5.074 10.207 11.069 1.00 0.70 C ATOM 466 C ASP A 83 4.927 10.540 9.592 1.00 0.55 C ATOM 467 O ASP A 83 5.599 11.442 9.089 1.00 0.60 O ATOM 468 CB ASP A 83 6.357 9.403 11.289 1.00 0.88 C ATOM 469 CG ASP A 83 6.805 9.408 12.732 1.00 1.05 C ATOM 470 OD1 ASP A 83 6.831 10.495 13.344 1.00 1.39 O ATOM 471 OD2 ASP A 83 7.149 8.329 13.260 1.00 1.66 O ATOM 0 H ASP A 83 4.013 8.481 11.627 1.00 0.67 H new ATOM 0 HA ASP A 83 5.139 11.143 11.624 1.00 0.70 H new ATOM 0 HB2 ASP A 83 6.197 8.374 10.966 1.00 0.88 H new ATOM 0 HB3 ASP A 83 7.150 9.814 10.665 1.00 0.88 H new ATOM 476 N PHE A 84 4.039 9.840 8.898 1.00 0.45 N ATOM 477 CA PHE A 84 3.885 10.033 7.461 1.00 0.41 C ATOM 478 C PHE A 84 2.494 10.551 7.158 1.00 0.40 C ATOM 479 O PHE A 84 1.527 10.194 7.832 1.00 0.56 O ATOM 480 CB PHE A 84 4.139 8.726 6.702 1.00 0.42 C ATOM 481 CG PHE A 84 5.220 7.889 7.321 1.00 0.56 C ATOM 482 CD1 PHE A 84 4.917 6.689 7.939 1.00 0.66 C ATOM 483 CD2 PHE A 84 6.541 8.298 7.272 1.00 0.79 C ATOM 484 CE1 PHE A 84 5.911 5.912 8.493 1.00 0.87 C ATOM 485 CE2 PHE A 84 7.540 7.525 7.827 1.00 0.98 C ATOM 486 CZ PHE A 84 7.211 6.357 8.495 1.00 1.00 C ATOM 0 H PHE A 84 3.419 9.139 9.302 1.00 0.45 H new ATOM 0 HA PHE A 84 4.621 10.765 7.130 1.00 0.41 H new ATOM 0 HB2 PHE A 84 3.216 8.148 6.666 1.00 0.42 H new ATOM 0 HB3 PHE A 84 4.411 8.957 5.672 1.00 0.42 H new ATOM 0 HD1 PHE A 84 3.890 6.358 7.988 1.00 0.66 H new ATOM 0 HD2 PHE A 84 6.793 9.233 6.794 1.00 0.79 H new ATOM 0 HE1 PHE A 84 5.668 4.953 8.926 1.00 0.87 H new ATOM 0 HE2 PHE A 84 8.573 7.829 7.741 1.00 0.98 H new ATOM 0 HZ PHE A 84 7.974 5.798 9.016 1.00 1.00 H new ATOM 496 N GLU A 85 2.389 11.407 6.160 1.00 0.39 N ATOM 497 CA GLU A 85 1.111 11.996 5.817 1.00 0.44 C ATOM 498 C GLU A 85 0.684 11.578 4.421 1.00 0.39 C ATOM 499 O GLU A 85 1.349 11.903 3.439 1.00 0.40 O ATOM 500 CB GLU A 85 1.193 13.520 5.897 1.00 0.61 C ATOM 501 CG GLU A 85 -0.162 14.203 5.920 1.00 1.15 C ATOM 502 CD GLU A 85 -0.946 13.875 7.171 1.00 1.60 C ATOM 503 OE1 GLU A 85 -0.866 14.646 8.148 1.00 1.88 O ATOM 504 OE2 GLU A 85 -1.651 12.846 7.179 1.00 2.27 O ATOM 0 H GLU A 85 3.169 11.708 5.576 1.00 0.39 H new ATOM 0 HA GLU A 85 0.369 11.639 6.531 1.00 0.44 H new ATOM 0 HB2 GLU A 85 1.746 13.799 6.794 1.00 0.61 H new ATOM 0 HB3 GLU A 85 1.762 13.890 5.044 1.00 0.61 H new ATOM 0 HG2 GLU A 85 -0.024 15.282 5.852 1.00 1.15 H new ATOM 0 HG3 GLU A 85 -0.735 13.899 5.044 1.00 1.15 H new ATOM 511 N LEU A 86 -0.426 10.868 4.334 1.00 0.41 N ATOM 512 CA LEU A 86 -0.963 10.471 3.049 1.00 0.43 C ATOM 513 C LEU A 86 -1.834 11.581 2.518 1.00 0.44 C ATOM 514 O LEU A 86 -2.775 12.014 3.179 1.00 0.48 O ATOM 515 CB LEU A 86 -1.757 9.177 3.172 1.00 0.52 C ATOM 516 CG LEU A 86 -2.137 8.499 1.849 1.00 0.59 C ATOM 517 CD1 LEU A 86 -2.375 7.022 2.079 1.00 0.79 C ATOM 518 CD2 LEU A 86 -3.380 9.130 1.236 1.00 0.70 C ATOM 0 H LEU A 86 -0.971 10.556 5.138 1.00 0.41 H new ATOM 0 HA LEU A 86 -0.142 10.290 2.355 1.00 0.43 H new ATOM 0 HB2 LEU A 86 -1.176 8.472 3.766 1.00 0.52 H new ATOM 0 HB3 LEU A 86 -2.671 9.385 3.728 1.00 0.52 H new ATOM 0 HG LEU A 86 -1.310 8.635 1.152 1.00 0.59 H new ATOM 0 HD11 LEU A 86 -2.644 6.546 1.136 1.00 0.79 H new ATOM 0 HD12 LEU A 86 -1.467 6.564 2.470 1.00 0.79 H new ATOM 0 HD13 LEU A 86 -3.185 6.891 2.796 1.00 0.79 H new ATOM 0 HD21 LEU A 86 -3.620 8.625 0.300 1.00 0.70 H new ATOM 0 HD22 LEU A 86 -4.217 9.031 1.927 1.00 0.70 H new ATOM 0 HD23 LEU A 86 -3.194 10.186 1.041 1.00 0.70 H new ATOM 530 N ARG A 87 -1.519 12.034 1.328 1.00 0.47 N ATOM 531 CA ARG A 87 -2.168 13.200 0.769 1.00 0.55 C ATOM 532 C ARG A 87 -2.436 13.006 -0.715 1.00 0.61 C ATOM 533 O ARG A 87 -1.537 12.640 -1.472 1.00 0.66 O ATOM 534 CB ARG A 87 -1.279 14.430 0.964 1.00 0.62 C ATOM 535 CG ARG A 87 -1.122 14.896 2.403 1.00 0.69 C ATOM 536 CD ARG A 87 -2.391 15.537 2.930 1.00 1.04 C ATOM 537 NE ARG A 87 -3.392 14.550 3.327 1.00 1.63 N ATOM 538 CZ ARG A 87 -4.578 14.850 3.853 1.00 2.32 C ATOM 539 NH1 ARG A 87 -4.922 16.115 4.057 1.00 2.62 N ATOM 540 NH2 ARG A 87 -5.419 13.877 4.174 1.00 3.21 N ATOM 0 H ARG A 87 -0.814 11.612 0.724 1.00 0.47 H new ATOM 0 HA ARG A 87 -3.118 13.344 1.284 1.00 0.55 H new ATOM 0 HB2 ARG A 87 -0.290 14.211 0.560 1.00 0.62 H new ATOM 0 HB3 ARG A 87 -1.689 15.251 0.376 1.00 0.62 H new ATOM 0 HG2 ARG A 87 -0.855 14.047 3.033 1.00 0.69 H new ATOM 0 HG3 ARG A 87 -0.301 15.610 2.466 1.00 0.69 H new ATOM 0 HD2 ARG A 87 -2.148 16.168 3.785 1.00 1.04 H new ATOM 0 HD3 ARG A 87 -2.811 16.188 2.163 1.00 1.04 H new ATOM 0 HE ARG A 87 -3.167 13.564 3.192 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -4.276 16.865 3.811 1.00 2.62 H new ATOM 0 HH12 ARG A 87 -5.832 16.337 4.460 1.00 2.62 H new ATOM 0 HH21 ARG A 87 -5.156 12.904 4.018 1.00 3.21 H new ATOM 0 HH22 ARG A 87 -6.329 14.101 4.577 1.00 3.21 H new ATOM 554 N GLU A 88 -3.672 13.232 -1.130 1.00 0.73 N ATOM 555 CA GLU A 88 -3.992 13.221 -2.543 1.00 0.84 C ATOM 556 C GLU A 88 -3.626 14.569 -3.141 1.00 0.87 C ATOM 557 O GLU A 88 -4.224 15.592 -2.800 1.00 0.98 O ATOM 558 CB GLU A 88 -5.476 12.933 -2.774 1.00 1.06 C ATOM 559 CG GLU A 88 -5.838 12.808 -4.246 1.00 1.61 C ATOM 560 CD GLU A 88 -7.331 12.826 -4.487 1.00 1.96 C ATOM 561 OE1 GLU A 88 -7.961 13.879 -4.247 1.00 2.46 O ATOM 562 OE2 GLU A 88 -7.880 11.796 -4.934 1.00 2.21 O ATOM 0 H GLU A 88 -4.461 13.423 -0.513 1.00 0.73 H new ATOM 0 HA GLU A 88 -3.421 12.428 -3.026 1.00 0.84 H new ATOM 0 HB2 GLU A 88 -5.745 12.010 -2.260 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -6.069 13.731 -2.327 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -5.376 13.625 -4.800 1.00 1.61 H new ATOM 0 HG3 GLU A 88 -5.422 11.881 -4.640 1.00 1.61 H new ATOM 569 N SER A 89 -2.631 14.568 -4.007 1.00 0.85 N ATOM 570 CA SER A 89 -2.155 15.783 -4.642 1.00 0.95 C ATOM 571 C SER A 89 -1.245 15.408 -5.803 1.00 0.90 C ATOM 572 O SER A 89 -0.791 14.268 -5.886 1.00 1.11 O ATOM 573 CB SER A 89 -1.402 16.656 -3.630 1.00 1.03 C ATOM 574 OG SER A 89 -1.065 17.918 -4.182 1.00 1.58 O ATOM 0 H SER A 89 -2.130 13.726 -4.290 1.00 0.85 H new ATOM 0 HA SER A 89 -3.003 16.357 -5.015 1.00 0.95 H new ATOM 0 HB2 SER A 89 -2.018 16.799 -2.742 1.00 1.03 H new ATOM 0 HB3 SER A 89 -0.495 16.144 -3.310 1.00 1.03 H new ATOM 0 HG SER A 89 -0.588 18.451 -3.512 1.00 1.58 H new ATOM 580 N SER A 90 -1.004 16.347 -6.700 1.00 0.86 N ATOM 581 CA SER A 90 -0.157 16.097 -7.851 1.00 0.88 C ATOM 582 C SER A 90 1.246 16.649 -7.616 1.00 0.87 C ATOM 583 O SER A 90 1.462 17.864 -7.643 1.00 1.02 O ATOM 584 CB SER A 90 -0.786 16.720 -9.102 1.00 1.13 C ATOM 585 OG SER A 90 -0.013 16.462 -10.265 1.00 1.86 O ATOM 0 H SER A 90 -1.384 17.292 -6.653 1.00 0.86 H new ATOM 0 HA SER A 90 -0.071 15.021 -8.001 1.00 0.88 H new ATOM 0 HB2 SER A 90 -1.792 16.324 -9.239 1.00 1.13 H new ATOM 0 HB3 SER A 90 -0.884 17.797 -8.962 1.00 1.13 H new ATOM 0 HG SER A 90 -0.445 16.873 -11.043 1.00 1.86 H new ATOM 591 N ILE A 91 2.192 15.755 -7.362 1.00 0.86 N ATOM 592 CA ILE A 91 3.587 16.144 -7.236 1.00 1.01 C ATOM 593 C ILE A 91 4.326 15.800 -8.532 1.00 1.09 C ATOM 594 O ILE A 91 4.393 14.635 -8.935 1.00 1.08 O ATOM 595 CB ILE A 91 4.260 15.488 -5.990 1.00 1.10 C ATOM 596 CG1 ILE A 91 5.735 15.921 -5.838 1.00 1.35 C ATOM 597 CG2 ILE A 91 4.140 13.972 -6.030 1.00 1.07 C ATOM 598 CD1 ILE A 91 6.733 15.087 -6.624 1.00 1.45 C ATOM 0 H ILE A 91 2.018 14.757 -7.240 1.00 0.86 H new ATOM 0 HA ILE A 91 3.641 17.221 -7.077 1.00 1.01 H new ATOM 0 HB ILE A 91 3.722 15.846 -5.112 1.00 1.10 H new ATOM 0 HG12 ILE A 91 5.827 16.961 -6.151 1.00 1.35 H new ATOM 0 HG13 ILE A 91 6.003 15.881 -4.782 1.00 1.35 H new ATOM 0 HG21 ILE A 91 4.619 13.546 -5.148 1.00 1.07 H new ATOM 0 HG22 ILE A 91 3.087 13.691 -6.043 1.00 1.07 H new ATOM 0 HG23 ILE A 91 4.628 13.592 -6.927 1.00 1.07 H new ATOM 0 HD11 ILE A 91 7.740 15.468 -6.453 1.00 1.45 H new ATOM 0 HD12 ILE A 91 6.677 14.049 -6.297 1.00 1.45 H new ATOM 0 HD13 ILE A 91 6.499 15.145 -7.687 1.00 1.45 H new ATOM 610 N PRO A 92 4.852 16.827 -9.221 1.00 1.24 N ATOM 611 CA PRO A 92 5.507 16.664 -10.525 1.00 1.37 C ATOM 612 C PRO A 92 6.654 15.662 -10.497 1.00 1.47 C ATOM 613 O PRO A 92 7.596 15.804 -9.717 1.00 1.61 O ATOM 614 CB PRO A 92 6.040 18.063 -10.839 1.00 1.58 C ATOM 615 CG PRO A 92 5.205 18.986 -10.025 1.00 1.59 C ATOM 616 CD PRO A 92 4.846 18.232 -8.781 1.00 1.37 C ATOM 0 HA PRO A 92 4.812 16.274 -11.269 1.00 1.37 H new ATOM 0 HB2 PRO A 92 7.095 18.151 -10.578 1.00 1.58 H new ATOM 0 HB3 PRO A 92 5.955 18.288 -11.902 1.00 1.58 H new ATOM 0 HG2 PRO A 92 5.753 19.897 -9.784 1.00 1.59 H new ATOM 0 HG3 PRO A 92 4.311 19.286 -10.571 1.00 1.59 H new ATOM 0 HD2 PRO A 92 5.568 18.406 -7.983 1.00 1.37 H new ATOM 0 HD3 PRO A 92 3.870 18.529 -8.398 1.00 1.37 H new ATOM 624 N GLY A 93 6.566 14.651 -11.349 1.00 1.47 N ATOM 625 CA GLY A 93 7.622 13.663 -11.436 1.00 1.62 C ATOM 626 C GLY A 93 7.241 12.345 -10.799 1.00 1.58 C ATOM 627 O GLY A 93 7.857 11.316 -11.072 1.00 1.74 O ATOM 0 H GLY A 93 5.781 14.497 -11.982 1.00 1.47 H new ATOM 0 HA2 GLY A 93 7.873 13.497 -12.484 1.00 1.62 H new ATOM 0 HA3 GLY A 93 8.518 14.051 -10.951 1.00 1.62 H new ATOM 631 N ALA A 94 6.223 12.370 -9.952 1.00 1.40 N ATOM 632 CA ALA A 94 5.796 11.169 -9.247 1.00 1.40 C ATOM 633 C ALA A 94 4.299 10.942 -9.388 1.00 1.27 C ATOM 634 O ALA A 94 3.853 9.885 -9.837 1.00 1.38 O ATOM 635 CB ALA A 94 6.164 11.270 -7.779 1.00 1.41 C ATOM 0 H ALA A 94 5.678 13.205 -9.736 1.00 1.40 H new ATOM 0 HA ALA A 94 6.310 10.319 -9.695 1.00 1.40 H new ATOM 0 HB1 ALA A 94 5.841 10.368 -7.260 1.00 1.41 H new ATOM 0 HB2 ALA A 94 7.244 11.378 -7.681 1.00 1.41 H new ATOM 0 HB3 ALA A 94 5.672 12.137 -7.339 1.00 1.41 H new ATOM 641 N GLY A 95 3.529 11.942 -8.999 1.00 1.09 N ATOM 642 CA GLY A 95 2.091 11.826 -9.011 1.00 1.02 C ATOM 643 C GLY A 95 1.514 12.043 -7.637 1.00 0.91 C ATOM 644 O GLY A 95 1.417 13.172 -7.171 1.00 1.02 O ATOM 0 H GLY A 95 3.880 12.842 -8.672 1.00 1.09 H new ATOM 0 HA2 GLY A 95 1.671 12.555 -9.704 1.00 1.02 H new ATOM 0 HA3 GLY A 95 1.806 10.839 -9.376 1.00 1.02 H new ATOM 648 N LEU A 96 1.134 10.961 -7.002 1.00 0.79 N ATOM 649 CA LEU A 96 0.701 10.984 -5.610 1.00 0.70 C ATOM 650 C LEU A 96 1.818 10.468 -4.709 1.00 0.65 C ATOM 651 O LEU A 96 2.755 9.833 -5.190 1.00 0.99 O ATOM 652 CB LEU A 96 -0.588 10.167 -5.414 1.00 0.77 C ATOM 653 CG LEU A 96 -0.716 8.882 -6.246 1.00 1.35 C ATOM 654 CD1 LEU A 96 0.356 7.872 -5.874 1.00 2.05 C ATOM 655 CD2 LEU A 96 -2.100 8.279 -6.061 1.00 2.31 C ATOM 0 H LEU A 96 1.113 10.035 -7.429 1.00 0.79 H new ATOM 0 HA LEU A 96 0.478 12.015 -5.335 1.00 0.70 H new ATOM 0 HB2 LEU A 96 -0.667 9.901 -4.360 1.00 0.77 H new ATOM 0 HB3 LEU A 96 -1.438 10.809 -5.645 1.00 0.77 H new ATOM 0 HG LEU A 96 -0.576 9.142 -7.295 1.00 1.35 H new ATOM 0 HD11 LEU A 96 0.237 6.975 -6.481 1.00 2.05 H new ATOM 0 HD12 LEU A 96 1.341 8.304 -6.054 1.00 2.05 H new ATOM 0 HD13 LEU A 96 0.261 7.612 -4.820 1.00 2.05 H new ATOM 0 HD21 LEU A 96 -2.182 7.368 -6.654 1.00 2.31 H new ATOM 0 HD22 LEU A 96 -2.256 8.042 -5.009 1.00 2.31 H new ATOM 0 HD23 LEU A 96 -2.855 8.994 -6.387 1.00 2.31 H new ATOM 667 N GLY A 97 1.750 10.781 -3.419 1.00 0.59 N ATOM 668 CA GLY A 97 2.742 10.283 -2.488 1.00 0.57 C ATOM 669 C GLY A 97 2.399 10.606 -1.050 1.00 0.52 C ATOM 670 O GLY A 97 1.443 11.337 -0.785 1.00 0.55 O ATOM 0 H GLY A 97 1.027 11.369 -3.004 1.00 0.59 H new ATOM 0 HA2 GLY A 97 2.834 9.203 -2.603 1.00 0.57 H new ATOM 0 HA3 GLY A 97 3.713 10.713 -2.732 1.00 0.57 H new ATOM 674 N VAL A 98 3.161 10.045 -0.119 1.00 0.48 N ATOM 675 CA VAL A 98 3.015 10.383 1.288 1.00 0.46 C ATOM 676 C VAL A 98 4.201 11.235 1.724 1.00 0.47 C ATOM 677 O VAL A 98 5.303 11.093 1.186 1.00 0.67 O ATOM 678 CB VAL A 98 2.882 9.132 2.198 1.00 0.47 C ATOM 679 CG1 VAL A 98 1.740 8.244 1.732 1.00 0.49 C ATOM 680 CG2 VAL A 98 4.176 8.336 2.257 1.00 0.53 C ATOM 0 H VAL A 98 3.886 9.354 -0.315 1.00 0.48 H new ATOM 0 HA VAL A 98 2.087 10.944 1.399 1.00 0.46 H new ATOM 0 HB VAL A 98 2.663 9.488 3.205 1.00 0.47 H new ATOM 0 HG11 VAL A 98 1.666 7.374 2.384 1.00 0.49 H new ATOM 0 HG12 VAL A 98 0.806 8.804 1.767 1.00 0.49 H new ATOM 0 HG13 VAL A 98 1.928 7.916 0.710 1.00 0.49 H new ATOM 0 HG21 VAL A 98 4.041 7.469 2.904 1.00 0.53 H new ATOM 0 HG22 VAL A 98 4.444 8.002 1.255 1.00 0.53 H new ATOM 0 HG23 VAL A 98 4.972 8.965 2.655 1.00 0.53 H new ATOM 690 N TRP A 99 3.969 12.147 2.655 1.00 0.38 N ATOM 691 CA TRP A 99 4.997 13.095 3.057 1.00 0.39 C ATOM 692 C TRP A 99 5.218 13.057 4.564 1.00 0.35 C ATOM 693 O TRP A 99 4.349 13.462 5.339 1.00 0.38 O ATOM 694 CB TRP A 99 4.605 14.511 2.622 1.00 0.44 C ATOM 695 CG TRP A 99 4.142 14.590 1.196 1.00 0.50 C ATOM 696 CD1 TRP A 99 2.900 14.949 0.759 1.00 0.66 C ATOM 697 CD2 TRP A 99 4.907 14.282 0.022 1.00 0.62 C ATOM 698 NE1 TRP A 99 2.849 14.897 -0.613 1.00 0.69 N ATOM 699 CE2 TRP A 99 4.068 14.488 -1.088 1.00 0.66 C ATOM 700 CE3 TRP A 99 6.220 13.858 -0.197 1.00 0.88 C ATOM 701 CZ2 TRP A 99 4.500 14.283 -2.394 1.00 0.82 C ATOM 702 CZ3 TRP A 99 6.647 13.653 -1.494 1.00 1.13 C ATOM 703 CH2 TRP A 99 5.790 13.866 -2.578 1.00 1.06 C ATOM 0 H TRP A 99 3.081 12.251 3.145 1.00 0.38 H new ATOM 0 HA TRP A 99 5.929 12.813 2.568 1.00 0.39 H new ATOM 0 HB2 TRP A 99 3.812 14.877 3.274 1.00 0.44 H new ATOM 0 HB3 TRP A 99 5.460 15.174 2.756 1.00 0.44 H new ATOM 0 HD1 TRP A 99 2.077 15.233 1.398 1.00 0.66 H new ATOM 0 HE1 TRP A 99 2.036 15.126 -1.185 1.00 0.69 H new ATOM 0 HE3 TRP A 99 6.890 13.693 0.634 1.00 0.88 H new ATOM 0 HZ2 TRP A 99 3.840 14.447 -3.233 1.00 0.82 H new ATOM 0 HZ3 TRP A 99 7.659 13.323 -1.674 1.00 1.13 H new ATOM 0 HH2 TRP A 99 6.154 13.698 -3.581 1.00 1.06 H new ATOM 714 N ALA A 100 6.376 12.551 4.966 1.00 0.39 N ATOM 715 CA ALA A 100 6.762 12.498 6.369 1.00 0.42 C ATOM 716 C ALA A 100 6.808 13.892 6.978 1.00 0.43 C ATOM 717 O ALA A 100 7.482 14.782 6.458 1.00 0.49 O ATOM 718 CB ALA A 100 8.113 11.808 6.517 1.00 0.54 C ATOM 0 H ALA A 100 7.074 12.166 4.329 1.00 0.39 H new ATOM 0 HA ALA A 100 6.010 11.921 6.907 1.00 0.42 H new ATOM 0 HB1 ALA A 100 8.391 11.774 7.570 1.00 0.54 H new ATOM 0 HB2 ALA A 100 8.048 10.792 6.126 1.00 0.54 H new ATOM 0 HB3 ALA A 100 8.868 12.363 5.960 1.00 0.54 H new ATOM 724 N LYS A 101 6.087 14.079 8.077 1.00 0.47 N ATOM 725 CA LYS A 101 6.054 15.371 8.754 1.00 0.57 C ATOM 726 C LYS A 101 7.110 15.417 9.852 1.00 0.56 C ATOM 727 O LYS A 101 7.301 16.437 10.514 1.00 0.63 O ATOM 728 CB LYS A 101 4.661 15.675 9.326 1.00 0.69 C ATOM 729 CG LYS A 101 4.182 14.700 10.391 1.00 1.17 C ATOM 730 CD LYS A 101 3.355 13.578 9.788 1.00 0.84 C ATOM 731 CE LYS A 101 2.031 14.070 9.240 1.00 0.88 C ATOM 732 NZ LYS A 101 1.200 14.760 10.263 1.00 1.68 N ATOM 0 H LYS A 101 5.519 13.355 8.518 1.00 0.47 H new ATOM 0 HA LYS A 101 6.278 16.142 8.017 1.00 0.57 H new ATOM 0 HB2 LYS A 101 4.669 16.679 9.750 1.00 0.69 H new ATOM 0 HB3 LYS A 101 3.941 15.680 8.508 1.00 0.69 H new ATOM 0 HG2 LYS A 101 5.041 14.280 10.914 1.00 1.17 H new ATOM 0 HG3 LYS A 101 3.587 15.233 11.133 1.00 1.17 H new ATOM 0 HD2 LYS A 101 3.922 13.101 8.988 1.00 0.84 H new ATOM 0 HD3 LYS A 101 3.171 12.817 10.546 1.00 0.84 H new ATOM 0 HE2 LYS A 101 2.218 14.753 8.411 1.00 0.88 H new ATOM 0 HE3 LYS A 101 1.474 13.224 8.837 1.00 0.88 H new ATOM 0 HZ1 LYS A 101 0.228 14.863 9.909 1.00 1.68 H new ATOM 0 HZ2 LYS A 101 1.192 14.200 11.139 1.00 1.68 H new ATOM 0 HZ3 LYS A 101 1.599 15.701 10.457 1.00 1.68 H new ATOM 746 N ARG A 102 7.782 14.295 10.041 1.00 0.54 N ATOM 747 CA ARG A 102 8.936 14.218 10.918 1.00 0.58 C ATOM 748 C ARG A 102 10.034 13.475 10.181 1.00 0.54 C ATOM 749 O ARG A 102 9.746 12.696 9.273 1.00 0.54 O ATOM 750 CB ARG A 102 8.592 13.499 12.228 1.00 0.72 C ATOM 751 CG ARG A 102 9.733 13.524 13.233 1.00 0.83 C ATOM 752 CD ARG A 102 9.405 12.749 14.497 1.00 1.16 C ATOM 753 NE ARG A 102 9.175 11.328 14.237 1.00 1.80 N ATOM 754 CZ ARG A 102 10.010 10.351 14.594 1.00 2.52 C ATOM 755 NH1 ARG A 102 11.158 10.634 15.199 1.00 2.75 N ATOM 756 NH2 ARG A 102 9.694 9.087 14.346 1.00 3.50 N ATOM 0 H ARG A 102 7.543 13.412 9.591 1.00 0.54 H new ATOM 0 HA ARG A 102 9.264 15.224 11.180 1.00 0.58 H new ATOM 0 HB2 ARG A 102 7.713 13.965 12.672 1.00 0.72 H new ATOM 0 HB3 ARG A 102 8.329 12.464 12.010 1.00 0.72 H new ATOM 0 HG2 ARG A 102 10.628 13.104 12.774 1.00 0.83 H new ATOM 0 HG3 ARG A 102 9.963 14.557 13.492 1.00 0.83 H new ATOM 0 HD2 ARG A 102 10.223 12.857 15.209 1.00 1.16 H new ATOM 0 HD3 ARG A 102 8.518 13.178 14.963 1.00 1.16 H new ATOM 0 HE ARG A 102 8.318 11.067 13.750 1.00 1.80 H new ATOM 0 HH11 ARG A 102 11.406 11.604 15.394 1.00 2.75 H new ATOM 0 HH12 ARG A 102 11.791 9.881 15.469 1.00 2.75 H new ATOM 0 HH21 ARG A 102 8.813 8.863 13.883 1.00 3.50 H new ATOM 0 HH22 ARG A 102 10.332 8.339 14.618 1.00 3.50 H new ATOM 770 N LYS A 103 11.286 13.707 10.545 1.00 0.59 N ATOM 771 CA LYS A 103 12.378 13.119 9.834 1.00 0.63 C ATOM 772 C LYS A 103 12.652 11.712 10.339 1.00 0.68 C ATOM 773 O LYS A 103 12.268 11.346 11.447 1.00 0.82 O ATOM 774 CB LYS A 103 13.606 14.025 9.953 1.00 0.73 C ATOM 775 CG LYS A 103 13.966 14.452 11.371 1.00 0.98 C ATOM 776 CD LYS A 103 14.382 13.287 12.243 1.00 1.17 C ATOM 777 CE LYS A 103 15.882 13.004 12.183 1.00 2.05 C ATOM 778 NZ LYS A 103 16.378 12.787 10.792 1.00 2.40 N ATOM 0 H LYS A 103 11.557 14.300 11.330 1.00 0.59 H new ATOM 0 HA LYS A 103 12.123 13.029 8.778 1.00 0.63 H new ATOM 0 HB2 LYS A 103 14.462 13.508 9.519 1.00 0.73 H new ATOM 0 HB3 LYS A 103 13.436 14.920 9.354 1.00 0.73 H new ATOM 0 HG2 LYS A 103 14.777 15.180 11.332 1.00 0.98 H new ATOM 0 HG3 LYS A 103 13.110 14.952 11.824 1.00 0.98 H new ATOM 0 HD2 LYS A 103 14.097 13.493 13.275 1.00 1.17 H new ATOM 0 HD3 LYS A 103 13.837 12.395 11.933 1.00 1.17 H new ATOM 0 HE2 LYS A 103 16.422 13.839 12.630 1.00 2.05 H new ATOM 0 HE3 LYS A 103 16.104 12.122 12.784 1.00 2.05 H new ATOM 0 HZ1 LYS A 103 17.367 12.467 10.822 1.00 2.40 H new ATOM 0 HZ2 LYS A 103 15.795 12.064 10.324 1.00 2.40 H new ATOM 0 HZ3 LYS A 103 16.318 13.678 10.259 1.00 2.40 H new ATOM 792 N MET A 104 13.301 10.933 9.511 1.00 0.73 N ATOM 793 CA MET A 104 13.686 9.588 9.873 1.00 0.83 C ATOM 794 C MET A 104 15.195 9.485 9.858 1.00 0.87 C ATOM 795 O MET A 104 15.856 10.292 9.208 1.00 0.93 O ATOM 796 CB MET A 104 13.056 8.581 8.915 1.00 0.85 C ATOM 797 CG MET A 104 11.582 8.337 9.183 1.00 0.97 C ATOM 798 SD MET A 104 10.792 7.364 7.892 1.00 1.22 S ATOM 799 CE MET A 104 10.803 8.544 6.544 1.00 0.92 C ATOM 0 H MET A 104 13.578 11.210 8.569 1.00 0.73 H new ATOM 0 HA MET A 104 13.326 9.359 10.876 1.00 0.83 H new ATOM 0 HB2 MET A 104 13.178 8.938 7.892 1.00 0.85 H new ATOM 0 HB3 MET A 104 13.593 7.635 8.989 1.00 0.85 H new ATOM 0 HG2 MET A 104 11.471 7.824 10.138 1.00 0.97 H new ATOM 0 HG3 MET A 104 11.070 9.295 9.274 1.00 0.97 H new ATOM 0 HE1 MET A 104 9.778 8.796 6.272 1.00 0.92 H new ATOM 0 HE2 MET A 104 11.328 9.447 6.855 1.00 0.92 H new ATOM 0 HE3 MET A 104 11.310 8.108 5.683 1.00 0.92 H new ATOM 809 N GLU A 105 15.733 8.559 10.630 1.00 0.90 N ATOM 810 CA GLU A 105 17.171 8.367 10.702 1.00 0.93 C ATOM 811 C GLU A 105 17.570 7.081 9.993 1.00 0.89 C ATOM 812 O GLU A 105 16.924 6.043 10.167 1.00 1.13 O ATOM 813 CB GLU A 105 17.628 8.346 12.161 1.00 1.08 C ATOM 814 CG GLU A 105 16.779 7.467 13.062 1.00 1.64 C ATOM 815 CD GLU A 105 17.291 7.439 14.483 1.00 1.94 C ATOM 816 OE1 GLU A 105 16.987 8.382 15.244 1.00 2.25 O ATOM 817 OE2 GLU A 105 17.984 6.466 14.852 1.00 2.31 O ATOM 0 H GLU A 105 15.193 7.925 11.219 1.00 0.90 H new ATOM 0 HA GLU A 105 17.663 9.200 10.199 1.00 0.93 H new ATOM 0 HB2 GLU A 105 18.661 8.000 12.202 1.00 1.08 H new ATOM 0 HB3 GLU A 105 17.617 9.364 12.549 1.00 1.08 H new ATOM 0 HG2 GLU A 105 15.751 7.830 13.056 1.00 1.64 H new ATOM 0 HG3 GLU A 105 16.762 6.452 12.664 1.00 1.64 H new ATOM 824 N ALA A 106 18.646 7.182 9.211 1.00 0.78 N ATOM 825 CA ALA A 106 19.135 6.103 8.346 1.00 0.78 C ATOM 826 C ALA A 106 19.027 4.727 8.992 1.00 0.76 C ATOM 827 O ALA A 106 19.663 4.446 10.011 1.00 0.78 O ATOM 828 CB ALA A 106 20.577 6.377 7.957 1.00 0.84 C ATOM 0 H ALA A 106 19.212 8.029 9.159 1.00 0.78 H new ATOM 0 HA ALA A 106 18.498 6.088 7.462 1.00 0.78 H new ATOM 0 HB1 ALA A 106 20.939 5.575 7.314 1.00 0.84 H new ATOM 0 HB2 ALA A 106 20.636 7.325 7.422 1.00 0.84 H new ATOM 0 HB3 ALA A 106 21.193 6.428 8.855 1.00 0.84 H new ATOM 834 N GLY A 107 18.226 3.867 8.376 1.00 0.83 N ATOM 835 CA GLY A 107 18.015 2.533 8.899 1.00 0.91 C ATOM 836 C GLY A 107 16.570 2.309 9.282 1.00 0.87 C ATOM 837 O GLY A 107 16.215 1.283 9.866 1.00 1.04 O ATOM 0 H GLY A 107 17.716 4.073 7.517 1.00 0.83 H new ATOM 0 HA2 GLY A 107 18.313 1.797 8.152 1.00 0.91 H new ATOM 0 HA3 GLY A 107 18.651 2.378 9.770 1.00 0.91 H new ATOM 841 N GLU A 108 15.738 3.275 8.942 1.00 0.71 N ATOM 842 CA GLU A 108 14.325 3.234 9.265 1.00 0.74 C ATOM 843 C GLU A 108 13.587 2.262 8.344 1.00 0.61 C ATOM 844 O GLU A 108 14.119 1.831 7.312 1.00 0.61 O ATOM 845 CB GLU A 108 13.713 4.641 9.176 1.00 0.87 C ATOM 846 CG GLU A 108 13.823 5.298 7.803 1.00 0.85 C ATOM 847 CD GLU A 108 15.201 5.874 7.499 1.00 1.78 C ATOM 848 OE1 GLU A 108 16.098 5.097 7.117 1.00 2.62 O ATOM 849 OE2 GLU A 108 15.387 7.102 7.650 1.00 2.13 O ATOM 0 H GLU A 108 16.024 4.112 8.433 1.00 0.71 H new ATOM 0 HA GLU A 108 14.216 2.877 10.289 1.00 0.74 H new ATOM 0 HB2 GLU A 108 12.660 4.583 9.453 1.00 0.87 H new ATOM 0 HB3 GLU A 108 14.201 5.282 9.911 1.00 0.87 H new ATOM 0 HG2 GLU A 108 13.571 4.563 7.039 1.00 0.85 H new ATOM 0 HG3 GLU A 108 13.084 6.096 7.733 1.00 0.85 H new ATOM 856 N ARG A 109 12.370 1.905 8.720 1.00 0.63 N ATOM 857 CA ARG A 109 11.587 0.942 7.963 1.00 0.56 C ATOM 858 C ARG A 109 10.123 1.358 7.934 1.00 0.46 C ATOM 859 O ARG A 109 9.552 1.701 8.969 1.00 0.55 O ATOM 860 CB ARG A 109 11.744 -0.461 8.581 1.00 0.73 C ATOM 861 CG ARG A 109 10.953 -1.562 7.878 1.00 0.80 C ATOM 862 CD ARG A 109 9.517 -1.647 8.379 1.00 1.22 C ATOM 863 NE ARG A 109 9.431 -2.141 9.753 1.00 2.02 N ATOM 864 CZ ARG A 109 8.364 -1.994 10.536 1.00 2.71 C ATOM 865 NH1 ARG A 109 7.315 -1.294 10.116 1.00 2.91 N ATOM 866 NH2 ARG A 109 8.349 -2.537 11.746 1.00 3.62 N ATOM 0 H ARG A 109 11.901 2.270 9.549 1.00 0.63 H new ATOM 0 HA ARG A 109 11.952 0.913 6.936 1.00 0.56 H new ATOM 0 HB2 ARG A 109 12.800 -0.730 8.573 1.00 0.73 H new ATOM 0 HB3 ARG A 109 11.433 -0.420 9.625 1.00 0.73 H new ATOM 0 HG2 ARG A 109 10.951 -1.377 6.804 1.00 0.80 H new ATOM 0 HG3 ARG A 109 11.448 -2.520 8.035 1.00 0.80 H new ATOM 0 HD2 ARG A 109 9.057 -0.661 8.322 1.00 1.22 H new ATOM 0 HD3 ARG A 109 8.945 -2.304 7.724 1.00 1.22 H new ATOM 0 HE ARG A 109 10.240 -2.629 10.136 1.00 2.02 H new ATOM 0 HH11 ARG A 109 7.325 -0.866 9.190 1.00 2.91 H new ATOM 0 HH12 ARG A 109 6.500 -1.184 10.720 1.00 2.91 H new ATOM 0 HH21 ARG A 109 9.155 -3.067 12.077 1.00 3.62 H new ATOM 0 HH22 ARG A 109 7.532 -2.424 12.346 1.00 3.62 H new ATOM 880 N LEU A 110 9.518 1.328 6.752 1.00 0.38 N ATOM 881 CA LEU A 110 8.097 1.627 6.627 1.00 0.39 C ATOM 882 C LEU A 110 7.310 0.329 6.509 1.00 0.49 C ATOM 883 O LEU A 110 7.735 -0.602 5.819 1.00 0.53 O ATOM 884 CB LEU A 110 7.788 2.510 5.411 1.00 0.35 C ATOM 885 CG LEU A 110 8.689 3.727 5.183 1.00 0.35 C ATOM 886 CD1 LEU A 110 7.975 4.724 4.288 1.00 0.39 C ATOM 887 CD2 LEU A 110 9.088 4.386 6.494 1.00 0.41 C ATOM 0 H LEU A 110 9.985 1.102 5.874 1.00 0.38 H new ATOM 0 HA LEU A 110 7.804 2.177 7.521 1.00 0.39 H new ATOM 0 HB2 LEU A 110 7.833 1.885 4.519 1.00 0.35 H new ATOM 0 HB3 LEU A 110 6.761 2.863 5.502 1.00 0.35 H new ATOM 0 HG LEU A 110 9.604 3.387 4.698 1.00 0.35 H new ATOM 0 HD11 LEU A 110 8.616 5.591 4.125 1.00 0.39 H new ATOM 0 HD12 LEU A 110 7.748 4.256 3.330 1.00 0.39 H new ATOM 0 HD13 LEU A 110 7.048 5.042 4.765 1.00 0.39 H new ATOM 0 HD21 LEU A 110 9.727 5.245 6.290 1.00 0.41 H new ATOM 0 HD22 LEU A 110 8.194 4.716 7.022 1.00 0.41 H new ATOM 0 HD23 LEU A 110 9.630 3.670 7.111 1.00 0.41 H new ATOM 899 N GLY A 111 6.179 0.264 7.187 1.00 0.61 N ATOM 900 CA GLY A 111 5.347 -0.916 7.134 1.00 0.77 C ATOM 901 C GLY A 111 4.055 -0.724 7.897 1.00 0.88 C ATOM 902 O GLY A 111 3.883 0.295 8.567 1.00 1.02 O ATOM 0 H GLY A 111 5.819 1.014 7.778 1.00 0.61 H new ATOM 0 HA2 GLY A 111 5.124 -1.157 6.095 1.00 0.77 H new ATOM 0 HA3 GLY A 111 5.892 -1.764 7.548 1.00 0.77 H new ATOM 906 N PRO A 112 3.130 -1.684 7.831 1.00 1.23 N ATOM 907 CA PRO A 112 3.297 -2.908 7.048 1.00 1.24 C ATOM 908 C PRO A 112 2.924 -2.725 5.578 1.00 1.05 C ATOM 909 O PRO A 112 2.032 -1.939 5.240 1.00 1.19 O ATOM 910 CB PRO A 112 2.325 -3.868 7.729 1.00 1.78 C ATOM 911 CG PRO A 112 1.219 -2.995 8.212 1.00 2.10 C ATOM 912 CD PRO A 112 1.840 -1.661 8.544 1.00 1.83 C ATOM 0 HA PRO A 112 4.332 -3.249 7.028 1.00 1.24 H new ATOM 0 HB2 PRO A 112 1.960 -4.624 7.033 1.00 1.78 H new ATOM 0 HB3 PRO A 112 2.802 -4.398 8.554 1.00 1.78 H new ATOM 0 HG2 PRO A 112 0.450 -2.885 7.448 1.00 2.10 H new ATOM 0 HG3 PRO A 112 0.738 -3.428 9.089 1.00 2.10 H new ATOM 0 HD2 PRO A 112 1.213 -0.834 8.210 1.00 1.83 H new ATOM 0 HD3 PRO A 112 1.979 -1.541 9.618 1.00 1.83 H new ATOM 920 N CYS A 113 3.626 -3.444 4.714 1.00 1.00 N ATOM 921 CA CYS A 113 3.325 -3.446 3.291 1.00 1.00 C ATOM 922 C CYS A 113 2.406 -4.612 2.965 1.00 1.17 C ATOM 923 O CYS A 113 1.487 -4.489 2.158 1.00 1.67 O ATOM 924 CB CYS A 113 4.609 -3.556 2.465 1.00 1.05 C ATOM 925 SG CYS A 113 4.331 -3.559 0.678 1.00 2.00 S ATOM 0 H CYS A 113 4.413 -4.037 4.977 1.00 1.00 H new ATOM 0 HA CYS A 113 2.831 -2.508 3.040 1.00 1.00 H new ATOM 0 HB2 CYS A 113 5.266 -2.724 2.719 1.00 1.05 H new ATOM 0 HB3 CYS A 113 5.131 -4.471 2.743 1.00 1.05 H new ATOM 0 HG CYS A 113 5.472 -3.653 0.062 1.00 2.00 H new ATOM 1692 N GLY A 166 -0.910 -1.640 3.721 1.00 1.30 N ATOM 1693 CA GLY A 166 -0.182 -1.952 2.501 1.00 1.24 C ATOM 1694 C GLY A 166 -0.306 -0.888 1.430 1.00 1.03 C ATOM 1695 O GLY A 166 0.695 -0.335 0.974 1.00 1.05 O ATOM 0 HA2 GLY A 166 0.872 -2.091 2.743 1.00 1.24 H new ATOM 0 HA3 GLY A 166 -0.546 -2.900 2.103 1.00 1.24 H new ATOM 1699 N SER A 167 -1.541 -0.590 1.047 1.00 0.98 N ATOM 1700 CA SER A 167 -1.828 0.326 -0.047 1.00 0.99 C ATOM 1701 C SER A 167 -1.336 1.741 0.256 1.00 0.78 C ATOM 1702 O SER A 167 -1.210 2.563 -0.644 1.00 0.86 O ATOM 1703 CB SER A 167 -3.332 0.333 -0.331 1.00 1.17 C ATOM 1704 OG SER A 167 -3.635 1.059 -1.511 1.00 1.82 O ATOM 0 H SER A 167 -2.374 -0.979 1.489 1.00 0.98 H new ATOM 0 HA SER A 167 -1.292 -0.022 -0.930 1.00 0.99 H new ATOM 0 HB2 SER A 167 -3.689 -0.692 -0.431 1.00 1.17 H new ATOM 0 HB3 SER A 167 -3.861 0.773 0.514 1.00 1.17 H new ATOM 0 HG SER A 167 -4.603 1.043 -1.665 1.00 1.82 H new ATOM 1710 N TRP A 168 -1.042 2.028 1.516 1.00 0.62 N ATOM 1711 CA TRP A 168 -0.543 3.346 1.881 1.00 0.51 C ATOM 1712 C TRP A 168 0.893 3.527 1.382 1.00 0.42 C ATOM 1713 O TRP A 168 1.350 4.648 1.160 1.00 0.43 O ATOM 1714 CB TRP A 168 -0.622 3.560 3.399 1.00 0.56 C ATOM 1715 CG TRP A 168 0.403 2.799 4.190 1.00 0.55 C ATOM 1716 CD1 TRP A 168 0.382 1.473 4.514 1.00 0.69 C ATOM 1717 CD2 TRP A 168 1.601 3.334 4.770 1.00 0.49 C ATOM 1718 NE1 TRP A 168 1.494 1.150 5.253 1.00 0.70 N ATOM 1719 CE2 TRP A 168 2.258 2.275 5.423 1.00 0.56 C ATOM 1720 CE3 TRP A 168 2.180 4.607 4.793 1.00 0.49 C ATOM 1721 CZ2 TRP A 168 3.466 2.454 6.095 1.00 0.55 C ATOM 1722 CZ3 TRP A 168 3.378 4.781 5.458 1.00 0.51 C ATOM 1723 CH2 TRP A 168 4.012 3.709 6.101 1.00 0.50 C ATOM 0 H TRP A 168 -1.139 1.375 2.294 1.00 0.62 H new ATOM 0 HA TRP A 168 -1.173 4.096 1.403 1.00 0.51 H new ATOM 0 HB2 TRP A 168 -0.509 4.623 3.610 1.00 0.56 H new ATOM 0 HB3 TRP A 168 -1.615 3.271 3.743 1.00 0.56 H new ATOM 0 HD1 TRP A 168 -0.396 0.779 4.231 1.00 0.69 H new ATOM 0 HE1 TRP A 168 1.715 0.223 5.616 1.00 0.70 H new ATOM 0 HE3 TRP A 168 1.699 5.439 4.300 1.00 0.49 H new ATOM 0 HZ2 TRP A 168 3.955 1.630 6.594 1.00 0.55 H new ATOM 0 HZ3 TRP A 168 3.834 5.760 5.483 1.00 0.51 H new ATOM 0 HH2 TRP A 168 4.949 3.877 6.611 1.00 0.50 H new ATOM 1734 N LEU A 169 1.586 2.409 1.179 1.00 0.41 N ATOM 1735 CA LEU A 169 2.984 2.432 0.771 1.00 0.38 C ATOM 1736 C LEU A 169 3.143 2.522 -0.742 1.00 0.39 C ATOM 1737 O LEU A 169 4.209 2.886 -1.232 1.00 0.41 O ATOM 1738 CB LEU A 169 3.712 1.197 1.305 1.00 0.44 C ATOM 1739 CG LEU A 169 4.139 1.277 2.770 1.00 0.46 C ATOM 1740 CD1 LEU A 169 4.734 -0.041 3.231 1.00 0.66 C ATOM 1741 CD2 LEU A 169 5.139 2.406 2.966 1.00 0.55 C ATOM 0 H LEU A 169 1.198 1.473 1.292 1.00 0.41 H new ATOM 0 HA LEU A 169 3.430 3.330 1.198 1.00 0.38 H new ATOM 0 HB2 LEU A 169 3.064 0.330 1.179 1.00 0.44 H new ATOM 0 HB3 LEU A 169 4.598 1.024 0.694 1.00 0.44 H new ATOM 0 HG LEU A 169 3.255 1.482 3.374 1.00 0.46 H new ATOM 0 HD11 LEU A 169 5.031 0.040 4.277 1.00 0.66 H new ATOM 0 HD12 LEU A 169 3.992 -0.832 3.124 1.00 0.66 H new ATOM 0 HD13 LEU A 169 5.607 -0.278 2.623 1.00 0.66 H new ATOM 0 HD21 LEU A 169 5.435 2.452 4.014 1.00 0.55 H new ATOM 0 HD22 LEU A 169 6.018 2.224 2.348 1.00 0.55 H new ATOM 0 HD23 LEU A 169 4.681 3.352 2.676 1.00 0.55 H new ATOM 1753 N LYS A 170 2.091 2.210 -1.492 1.00 0.44 N ATOM 1754 CA LYS A 170 2.174 2.284 -2.948 1.00 0.52 C ATOM 1755 C LYS A 170 2.116 3.738 -3.407 1.00 0.50 C ATOM 1756 O LYS A 170 2.370 4.045 -4.573 1.00 0.61 O ATOM 1757 CB LYS A 170 1.072 1.442 -3.622 1.00 0.66 C ATOM 1758 CG LYS A 170 -0.356 1.886 -3.333 1.00 0.74 C ATOM 1759 CD LYS A 170 -0.809 3.014 -4.248 1.00 0.83 C ATOM 1760 CE LYS A 170 -2.216 3.478 -3.910 1.00 1.15 C ATOM 1761 NZ LYS A 170 -3.212 2.378 -4.008 1.00 1.48 N ATOM 0 H LYS A 170 1.188 1.909 -1.126 1.00 0.44 H new ATOM 0 HA LYS A 170 3.131 1.863 -3.255 1.00 0.52 H new ATOM 0 HB2 LYS A 170 1.230 1.463 -4.700 1.00 0.66 H new ATOM 0 HB3 LYS A 170 1.184 0.406 -3.304 1.00 0.66 H new ATOM 0 HG2 LYS A 170 -1.028 1.036 -3.449 1.00 0.74 H new ATOM 0 HG3 LYS A 170 -0.429 2.212 -2.295 1.00 0.74 H new ATOM 0 HD2 LYS A 170 -0.118 3.853 -4.162 1.00 0.83 H new ATOM 0 HD3 LYS A 170 -0.775 2.678 -5.284 1.00 0.83 H new ATOM 0 HE2 LYS A 170 -2.228 3.887 -2.900 1.00 1.15 H new ATOM 0 HE3 LYS A 170 -2.502 4.285 -4.584 1.00 1.15 H new ATOM 0 HZ1 LYS A 170 -4.129 2.766 -4.308 1.00 1.48 H new ATOM 0 HZ2 LYS A 170 -2.888 1.677 -4.705 1.00 1.48 H new ATOM 0 HZ3 LYS A 170 -3.317 1.921 -3.080 1.00 1.48 H new ATOM 1775 N TYR A 171 1.784 4.627 -2.475 1.00 0.45 N ATOM 1776 CA TYR A 171 1.711 6.049 -2.767 1.00 0.52 C ATOM 1777 C TYR A 171 3.097 6.629 -3.012 1.00 0.53 C ATOM 1778 O TYR A 171 3.264 7.491 -3.865 1.00 0.68 O ATOM 1779 CB TYR A 171 1.022 6.809 -1.633 1.00 0.56 C ATOM 1780 CG TYR A 171 -0.485 6.681 -1.639 1.00 0.85 C ATOM 1781 CD1 TYR A 171 -1.278 7.644 -2.251 1.00 1.12 C ATOM 1782 CD2 TYR A 171 -1.116 5.605 -1.032 1.00 1.03 C ATOM 1783 CE1 TYR A 171 -2.655 7.538 -2.259 1.00 1.44 C ATOM 1784 CE2 TYR A 171 -2.494 5.490 -1.036 1.00 1.42 C ATOM 1785 CZ TYR A 171 -3.259 6.458 -1.649 1.00 1.58 C ATOM 1786 OH TYR A 171 -4.631 6.347 -1.649 1.00 1.97 O ATOM 0 H TYR A 171 1.561 4.383 -1.510 1.00 0.45 H new ATOM 0 HA TYR A 171 1.119 6.165 -3.675 1.00 0.52 H new ATOM 0 HB2 TYR A 171 1.404 6.445 -0.679 1.00 0.56 H new ATOM 0 HB3 TYR A 171 1.288 7.864 -1.701 1.00 0.56 H new ATOM 0 HD1 TYR A 171 -0.809 8.491 -2.729 1.00 1.12 H new ATOM 0 HD2 TYR A 171 -0.521 4.844 -0.548 1.00 1.03 H new ATOM 0 HE1 TYR A 171 -3.255 8.296 -2.740 1.00 1.44 H new ATOM 0 HE2 TYR A 171 -2.969 4.645 -0.560 1.00 1.42 H new ATOM 0 HH TYR A 171 -4.893 5.528 -1.178 1.00 1.97 H new ATOM 1796 N ILE A 172 4.090 6.155 -2.273 1.00 0.43 N ATOM 1797 CA ILE A 172 5.453 6.619 -2.483 1.00 0.46 C ATOM 1798 C ILE A 172 5.974 6.097 -3.814 1.00 0.56 C ATOM 1799 O ILE A 172 5.893 4.900 -4.101 1.00 0.67 O ATOM 1800 CB ILE A 172 6.413 6.205 -1.341 1.00 0.42 C ATOM 1801 CG1 ILE A 172 5.672 5.409 -0.256 1.00 0.42 C ATOM 1802 CG2 ILE A 172 7.099 7.433 -0.761 1.00 0.57 C ATOM 1803 CD1 ILE A 172 6.301 5.478 1.122 1.00 0.54 C ATOM 0 H ILE A 172 3.981 5.460 -1.534 1.00 0.43 H new ATOM 0 HA ILE A 172 5.423 7.709 -2.491 1.00 0.46 H new ATOM 0 HB ILE A 172 7.180 5.550 -1.753 1.00 0.42 H new ATOM 0 HG12 ILE A 172 4.648 5.776 -0.192 1.00 0.42 H new ATOM 0 HG13 ILE A 172 5.618 4.365 -0.564 1.00 0.42 H new ATOM 0 HG21 ILE A 172 7.772 7.129 0.041 1.00 0.57 H new ATOM 0 HG22 ILE A 172 7.670 7.934 -1.543 1.00 0.57 H new ATOM 0 HG23 ILE A 172 6.348 8.117 -0.365 1.00 0.57 H new ATOM 0 HD11 ILE A 172 5.710 4.887 1.822 1.00 0.54 H new ATOM 0 HD12 ILE A 172 7.316 5.082 1.079 1.00 0.54 H new ATOM 0 HD13 ILE A 172 6.330 6.515 1.457 1.00 0.54 H new ATOM 1815 N ARG A 173 6.467 7.007 -4.643 1.00 0.71 N ATOM 1816 CA ARG A 173 6.939 6.647 -5.969 1.00 0.92 C ATOM 1817 C ARG A 173 8.439 6.887 -6.082 1.00 0.69 C ATOM 1818 O ARG A 173 9.070 7.354 -5.134 1.00 0.61 O ATOM 1819 CB ARG A 173 6.200 7.451 -7.046 1.00 1.38 C ATOM 1820 CG ARG A 173 4.680 7.437 -6.912 1.00 1.82 C ATOM 1821 CD ARG A 173 4.124 6.025 -6.792 1.00 2.22 C ATOM 1822 NE ARG A 173 4.542 5.165 -7.895 1.00 2.79 N ATOM 1823 CZ ARG A 173 4.451 3.837 -7.876 1.00 3.52 C ATOM 1824 NH1 ARG A 173 3.913 3.220 -6.830 1.00 3.84 N ATOM 1825 NH2 ARG A 173 4.883 3.127 -8.912 1.00 4.34 N ATOM 0 H ARG A 173 6.550 7.999 -4.419 1.00 0.71 H new ATOM 0 HA ARG A 173 6.736 5.587 -6.124 1.00 0.92 H new ATOM 0 HB2 ARG A 173 6.546 8.484 -7.012 1.00 1.38 H new ATOM 0 HB3 ARG A 173 6.470 7.056 -8.026 1.00 1.38 H new ATOM 0 HG2 ARG A 173 4.389 8.015 -6.035 1.00 1.82 H new ATOM 0 HG3 ARG A 173 4.236 7.927 -7.779 1.00 1.82 H new ATOM 0 HD2 ARG A 173 4.453 5.587 -5.849 1.00 2.22 H new ATOM 0 HD3 ARG A 173 3.035 6.068 -6.761 1.00 2.22 H new ATOM 0 HE ARG A 173 4.927 5.608 -8.730 1.00 2.79 H new ATOM 0 HH11 ARG A 173 3.568 3.764 -6.039 1.00 3.84 H new ATOM 0 HH12 ARG A 173 3.844 2.202 -6.818 1.00 3.84 H new ATOM 0 HH21 ARG A 173 5.284 3.599 -9.722 1.00 4.34 H new ATOM 0 HH22 ARG A 173 4.813 2.109 -8.898 1.00 4.34 H new ATOM 1839 N VAL A 174 8.999 6.579 -7.246 1.00 0.70 N ATOM 1840 CA VAL A 174 10.432 6.718 -7.470 1.00 0.63 C ATOM 1841 C VAL A 174 10.838 8.193 -7.556 1.00 0.55 C ATOM 1842 O VAL A 174 10.096 9.027 -8.076 1.00 0.62 O ATOM 1843 CB VAL A 174 10.890 5.915 -8.719 1.00 0.73 C ATOM 1844 CG1 VAL A 174 9.943 6.103 -9.887 1.00 0.98 C ATOM 1845 CG2 VAL A 174 12.317 6.268 -9.113 1.00 1.07 C ATOM 0 H VAL A 174 8.480 6.230 -8.052 1.00 0.70 H new ATOM 0 HA VAL A 174 10.948 6.291 -6.610 1.00 0.63 H new ATOM 0 HB VAL A 174 10.868 4.860 -8.446 1.00 0.73 H new ATOM 0 HG11 VAL A 174 10.298 5.525 -10.740 1.00 0.98 H new ATOM 0 HG12 VAL A 174 8.947 5.761 -9.607 1.00 0.98 H new ATOM 0 HG13 VAL A 174 9.901 7.159 -10.155 1.00 0.98 H new ATOM 0 HG21 VAL A 174 12.606 5.689 -9.990 1.00 1.07 H new ATOM 0 HG22 VAL A 174 12.378 7.331 -9.344 1.00 1.07 H new ATOM 0 HG23 VAL A 174 12.990 6.037 -8.287 1.00 1.07 H new ATOM 1855 N ALA A 175 12.016 8.493 -6.994 1.00 0.53 N ATOM 1856 CA ALA A 175 12.512 9.860 -6.856 1.00 0.57 C ATOM 1857 C ALA A 175 12.514 10.616 -8.175 1.00 0.52 C ATOM 1858 O ALA A 175 12.825 10.056 -9.230 1.00 0.57 O ATOM 1859 CB ALA A 175 13.914 9.848 -6.260 1.00 0.71 C ATOM 0 H ALA A 175 12.652 7.788 -6.622 1.00 0.53 H new ATOM 0 HA ALA A 175 11.829 10.384 -6.187 1.00 0.57 H new ATOM 0 HB1 ALA A 175 14.276 10.871 -6.161 1.00 0.71 H new ATOM 0 HB2 ALA A 175 13.888 9.375 -5.278 1.00 0.71 H new ATOM 0 HB3 ALA A 175 14.583 9.289 -6.914 1.00 0.71 H new ATOM 1865 N CYS A 176 12.185 11.895 -8.092 1.00 0.62 N ATOM 1866 CA CYS A 176 12.100 12.758 -9.259 1.00 0.69 C ATOM 1867 C CYS A 176 13.484 13.282 -9.640 1.00 0.68 C ATOM 1868 O CYS A 176 13.645 14.000 -10.630 1.00 0.84 O ATOM 1869 CB CYS A 176 11.145 13.921 -8.966 1.00 0.85 C ATOM 1870 SG CYS A 176 10.821 14.998 -10.382 1.00 1.88 S ATOM 0 H CYS A 176 11.969 12.365 -7.213 1.00 0.62 H new ATOM 0 HA CYS A 176 11.714 12.183 -10.101 1.00 0.69 H new ATOM 0 HB2 CYS A 176 10.198 13.516 -8.609 1.00 0.85 H new ATOM 0 HB3 CYS A 176 11.561 14.521 -8.156 1.00 0.85 H new ATOM 0 HG CYS A 176 11.889 15.079 -11.119 1.00 1.88 H new ATOM 1876 N SER A 177 14.477 12.929 -8.842 1.00 0.63 N ATOM 1877 CA SER A 177 15.851 13.307 -9.117 1.00 0.71 C ATOM 1878 C SER A 177 16.783 12.167 -8.724 1.00 0.65 C ATOM 1879 O SER A 177 16.583 11.514 -7.698 1.00 0.66 O ATOM 1880 CB SER A 177 16.214 14.583 -8.349 1.00 0.88 C ATOM 1881 OG SER A 177 17.510 15.047 -8.695 1.00 1.63 O ATOM 0 H SER A 177 14.355 12.377 -7.993 1.00 0.63 H new ATOM 0 HA SER A 177 15.962 13.505 -10.183 1.00 0.71 H new ATOM 0 HB2 SER A 177 15.479 15.359 -8.563 1.00 0.88 H new ATOM 0 HB3 SER A 177 16.170 14.389 -7.277 1.00 0.88 H new ATOM 0 HG SER A 177 17.711 15.862 -8.190 1.00 1.63 H new ATOM 1887 N CYS A 178 17.798 11.929 -9.546 1.00 0.71 N ATOM 1888 CA CYS A 178 18.747 10.852 -9.312 1.00 0.76 C ATOM 1889 C CYS A 178 19.682 11.205 -8.157 1.00 0.71 C ATOM 1890 O CYS A 178 20.386 10.353 -7.623 1.00 0.77 O ATOM 1891 CB CYS A 178 19.553 10.571 -10.582 1.00 1.00 C ATOM 1892 SG CYS A 178 20.575 9.081 -10.507 1.00 1.96 S ATOM 0 H CYS A 178 17.984 12.474 -10.388 1.00 0.71 H new ATOM 0 HA CYS A 178 18.192 9.953 -9.044 1.00 0.76 H new ATOM 0 HB2 CYS A 178 18.864 10.482 -11.422 1.00 1.00 H new ATOM 0 HB3 CYS A 178 20.196 11.427 -10.786 1.00 1.00 H new ATOM 0 HG CYS A 178 20.985 8.897 -9.287 1.00 1.96 H new ATOM 1898 N ASP A 179 19.683 12.473 -7.773 1.00 0.76 N ATOM 1899 CA ASP A 179 20.455 12.916 -6.622 1.00 0.88 C ATOM 1900 C ASP A 179 19.623 12.781 -5.357 1.00 0.82 C ATOM 1901 O ASP A 179 20.099 13.026 -4.248 1.00 0.99 O ATOM 1902 CB ASP A 179 20.922 14.363 -6.800 1.00 1.08 C ATOM 1903 CG ASP A 179 21.944 14.511 -7.909 1.00 1.81 C ATOM 1904 OD1 ASP A 179 21.549 14.813 -9.053 1.00 2.40 O ATOM 1905 OD2 ASP A 179 23.149 14.323 -7.641 1.00 2.42 O ATOM 0 H ASP A 179 19.159 13.212 -8.241 1.00 0.76 H new ATOM 0 HA ASP A 179 21.339 12.285 -6.536 1.00 0.88 H new ATOM 0 HB2 ASP A 179 20.061 14.995 -7.017 1.00 1.08 H new ATOM 0 HB3 ASP A 179 21.352 14.720 -5.864 1.00 1.08 H new ATOM 1910 N ASP A 180 18.368 12.391 -5.538 1.00 0.70 N ATOM 1911 CA ASP A 180 17.455 12.181 -4.425 1.00 0.75 C ATOM 1912 C ASP A 180 17.130 10.708 -4.255 1.00 0.60 C ATOM 1913 O ASP A 180 16.162 10.356 -3.581 1.00 0.64 O ATOM 1914 CB ASP A 180 16.158 12.970 -4.617 1.00 0.92 C ATOM 1915 CG ASP A 180 16.330 14.446 -4.342 1.00 1.41 C ATOM 1916 OD1 ASP A 180 16.436 15.229 -5.307 1.00 2.12 O ATOM 1917 OD2 ASP A 180 16.357 14.833 -3.155 1.00 1.55 O ATOM 0 H ASP A 180 17.957 12.213 -6.455 1.00 0.70 H new ATOM 0 HA ASP A 180 17.956 12.539 -3.526 1.00 0.75 H new ATOM 0 HB2 ASP A 180 15.802 12.833 -5.638 1.00 0.92 H new ATOM 0 HB3 ASP A 180 15.391 12.568 -3.955 1.00 0.92 H new ATOM 1922 N GLN A 181 17.926 9.844 -4.882 1.00 0.51 N ATOM 1923 CA GLN A 181 17.723 8.409 -4.747 1.00 0.46 C ATOM 1924 C GLN A 181 17.854 8.013 -3.287 1.00 0.46 C ATOM 1925 O GLN A 181 18.920 8.157 -2.685 1.00 0.56 O ATOM 1926 CB GLN A 181 18.733 7.621 -5.586 1.00 0.56 C ATOM 1927 CG GLN A 181 18.684 7.940 -7.074 1.00 0.62 C ATOM 1928 CD GLN A 181 17.382 7.534 -7.749 1.00 0.70 C ATOM 1929 OE1 GLN A 181 16.931 8.182 -8.690 1.00 1.35 O ATOM 1930 NE2 GLN A 181 16.787 6.442 -7.299 1.00 0.98 N ATOM 0 H GLN A 181 18.707 10.111 -5.481 1.00 0.51 H new ATOM 0 HA GLN A 181 16.723 8.171 -5.109 1.00 0.46 H new ATOM 0 HB2 GLN A 181 19.737 7.825 -5.214 1.00 0.56 H new ATOM 0 HB3 GLN A 181 18.552 6.555 -5.447 1.00 0.56 H new ATOM 0 HG2 GLN A 181 18.834 9.011 -7.211 1.00 0.62 H new ATOM 0 HG3 GLN A 181 19.512 7.435 -7.571 1.00 0.62 H new ATOM 0 HE21 GLN A 181 17.189 5.928 -6.515 1.00 0.98 H new ATOM 0 HE22 GLN A 181 15.926 6.114 -7.736 1.00 0.98 H new ATOM 1939 N ASN A 182 16.761 7.534 -2.723 1.00 0.40 N ATOM 1940 CA ASN A 182 16.726 7.127 -1.335 1.00 0.41 C ATOM 1941 C ASN A 182 15.640 6.068 -1.160 1.00 0.36 C ATOM 1942 O ASN A 182 15.007 5.948 -0.116 1.00 0.42 O ATOM 1943 CB ASN A 182 16.484 8.362 -0.452 1.00 0.49 C ATOM 1944 CG ASN A 182 16.485 8.062 1.031 1.00 0.99 C ATOM 1945 OD1 ASN A 182 17.531 7.907 1.650 1.00 1.68 O ATOM 1946 ND2 ASN A 182 15.308 8.011 1.611 1.00 0.93 N ATOM 0 H ASN A 182 15.875 7.417 -3.215 1.00 0.40 H new ATOM 0 HA ASN A 182 17.676 6.687 -1.031 1.00 0.41 H new ATOM 0 HB2 ASN A 182 17.253 9.105 -0.663 1.00 0.49 H new ATOM 0 HB3 ASN A 182 15.527 8.808 -0.722 1.00 0.49 H new ATOM 0 HD21 ASN A 182 15.241 7.837 2.614 1.00 0.93 H new ATOM 0 HD22 ASN A 182 14.461 8.146 1.059 1.00 0.93 H new ATOM 1953 N LEU A 183 15.455 5.270 -2.197 1.00 0.34 N ATOM 1954 CA LEU A 183 14.374 4.302 -2.225 1.00 0.35 C ATOM 1955 C LEU A 183 14.926 2.900 -2.429 1.00 0.36 C ATOM 1956 O LEU A 183 15.732 2.665 -3.327 1.00 0.39 O ATOM 1957 CB LEU A 183 13.369 4.627 -3.342 1.00 0.39 C ATOM 1958 CG LEU A 183 13.284 6.093 -3.771 1.00 0.46 C ATOM 1959 CD1 LEU A 183 14.376 6.442 -4.764 1.00 0.73 C ATOM 1960 CD2 LEU A 183 11.929 6.383 -4.374 1.00 0.81 C ATOM 0 H LEU A 183 16.041 5.274 -3.032 1.00 0.34 H new ATOM 0 HA LEU A 183 13.857 4.352 -1.267 1.00 0.35 H new ATOM 0 HB2 LEU A 183 13.624 4.029 -4.217 1.00 0.39 H new ATOM 0 HB3 LEU A 183 12.379 4.308 -3.015 1.00 0.39 H new ATOM 0 HG LEU A 183 13.423 6.709 -2.883 1.00 0.46 H new ATOM 0 HD11 LEU A 183 14.287 7.490 -5.049 1.00 0.73 H new ATOM 0 HD12 LEU A 183 15.351 6.271 -4.308 1.00 0.73 H new ATOM 0 HD13 LEU A 183 14.275 5.816 -5.650 1.00 0.73 H new ATOM 0 HD21 LEU A 183 11.881 7.429 -4.675 1.00 0.81 H new ATOM 0 HD22 LEU A 183 11.775 5.747 -5.246 1.00 0.81 H new ATOM 0 HD23 LEU A 183 11.152 6.182 -3.637 1.00 0.81 H new ATOM 1972 N THR A 184 14.511 1.973 -1.582 1.00 0.37 N ATOM 1973 CA THR A 184 14.925 0.588 -1.714 1.00 0.41 C ATOM 1974 C THR A 184 13.854 -0.354 -1.177 1.00 0.41 C ATOM 1975 O THR A 184 13.231 -0.088 -0.147 1.00 0.45 O ATOM 1976 CB THR A 184 16.264 0.338 -0.993 1.00 0.45 C ATOM 1977 OG1 THR A 184 17.298 1.087 -1.638 1.00 0.51 O ATOM 1978 CG2 THR A 184 16.628 -1.134 -0.998 1.00 0.49 C ATOM 0 H THR A 184 13.887 2.155 -0.796 1.00 0.37 H new ATOM 0 HA THR A 184 15.064 0.385 -2.776 1.00 0.41 H new ATOM 0 HB THR A 184 16.158 0.658 0.043 1.00 0.45 H new ATOM 0 HG1 THR A 184 16.916 1.600 -2.381 1.00 0.51 H new ATOM 0 HG21 THR A 184 17.577 -1.276 -0.482 1.00 0.49 H new ATOM 0 HG22 THR A 184 15.850 -1.703 -0.489 1.00 0.49 H new ATOM 0 HG23 THR A 184 16.719 -1.483 -2.027 1.00 0.49 H new ATOM 1986 N MET A 185 13.630 -1.444 -1.893 1.00 0.49 N ATOM 1987 CA MET A 185 12.648 -2.428 -1.485 1.00 0.51 C ATOM 1988 C MET A 185 13.343 -3.624 -0.853 1.00 0.60 C ATOM 1989 O MET A 185 14.272 -4.188 -1.436 1.00 0.90 O ATOM 1990 CB MET A 185 11.808 -2.867 -2.684 1.00 0.77 C ATOM 1991 CG MET A 185 10.510 -3.548 -2.292 1.00 1.01 C ATOM 1992 SD MET A 185 9.579 -2.590 -1.082 1.00 1.35 S ATOM 1993 CE MET A 185 9.562 -0.973 -1.850 1.00 1.03 C ATOM 0 H MET A 185 14.117 -1.667 -2.761 1.00 0.49 H new ATOM 0 HA MET A 185 11.983 -1.980 -0.746 1.00 0.51 H new ATOM 0 HB2 MET A 185 11.582 -1.996 -3.298 1.00 0.77 H new ATOM 0 HB3 MET A 185 12.395 -3.548 -3.300 1.00 0.77 H new ATOM 0 HG2 MET A 185 9.898 -3.700 -3.181 1.00 1.01 H new ATOM 0 HG3 MET A 185 10.728 -4.534 -1.882 1.00 1.01 H new ATOM 0 HE1 MET A 185 9.690 -0.206 -1.086 1.00 1.03 H new ATOM 0 HE2 MET A 185 10.375 -0.905 -2.572 1.00 1.03 H new ATOM 0 HE3 MET A 185 8.610 -0.822 -2.360 1.00 1.03 H new ATOM 2003 N CYS A 186 12.890 -4.009 0.327 1.00 0.55 N ATOM 2004 CA CYS A 186 13.533 -5.075 1.076 1.00 0.81 C ATOM 2005 C CYS A 186 12.626 -6.300 1.152 1.00 0.71 C ATOM 2006 O CYS A 186 11.407 -6.181 1.298 1.00 0.65 O ATOM 2007 CB CYS A 186 13.880 -4.582 2.483 1.00 1.10 C ATOM 2008 SG CYS A 186 14.866 -5.740 3.460 1.00 1.73 S ATOM 0 H CYS A 186 12.078 -3.599 0.788 1.00 0.55 H new ATOM 0 HA CYS A 186 14.451 -5.362 0.562 1.00 0.81 H new ATOM 0 HB2 CYS A 186 14.424 -3.641 2.401 1.00 1.10 H new ATOM 0 HB3 CYS A 186 12.955 -4.370 3.019 1.00 1.10 H new ATOM 0 HG CYS A 186 15.106 -5.226 4.630 1.00 1.73 H new ATOM 2014 N GLN A 187 13.229 -7.475 1.038 1.00 0.81 N ATOM 2015 CA GLN A 187 12.482 -8.719 1.063 1.00 0.79 C ATOM 2016 C GLN A 187 12.940 -9.569 2.248 1.00 0.87 C ATOM 2017 O GLN A 187 14.009 -10.179 2.214 1.00 1.01 O ATOM 2018 CB GLN A 187 12.689 -9.459 -0.265 1.00 0.95 C ATOM 2019 CG GLN A 187 11.569 -10.419 -0.643 1.00 1.08 C ATOM 2020 CD GLN A 187 11.510 -11.651 0.235 1.00 1.47 C ATOM 2021 OE1 GLN A 187 10.714 -11.591 1.292 1.00 1.93 O flip ATOM 2022 NE2 GLN A 187 12.158 -12.658 -0.046 1.00 1.60 N flip ATOM 0 H GLN A 187 14.236 -7.590 0.927 1.00 0.81 H new ATOM 0 HA GLN A 187 11.418 -8.516 1.184 1.00 0.79 H new ATOM 0 HB2 GLN A 187 12.802 -8.723 -1.061 1.00 0.95 H new ATOM 0 HB3 GLN A 187 13.624 -10.017 -0.212 1.00 0.95 H new ATOM 0 HG2 GLN A 187 10.616 -9.894 -0.584 1.00 1.08 H new ATOM 0 HG3 GLN A 187 11.700 -10.727 -1.680 1.00 1.08 H new ATOM 0 HE21 GLN A 187 12.760 -12.664 -0.869 1.00 1.60 H new ATOM 0 HE22 GLN A 187 12.093 -13.487 0.544 1.00 1.60 H new ATOM 2031 N ILE A 188 12.114 -9.601 3.286 1.00 0.82 N ATOM 2032 CA ILE A 188 12.430 -10.315 4.521 1.00 0.92 C ATOM 2033 C ILE A 188 11.175 -10.964 5.090 1.00 0.95 C ATOM 2034 O ILE A 188 10.080 -10.434 4.925 1.00 0.87 O ATOM 2035 CB ILE A 188 13.050 -9.383 5.591 1.00 0.99 C ATOM 2036 CG1 ILE A 188 12.208 -8.116 5.749 1.00 0.96 C ATOM 2037 CG2 ILE A 188 14.481 -9.023 5.227 1.00 1.07 C ATOM 2038 CD1 ILE A 188 12.664 -7.212 6.876 1.00 1.11 C ATOM 0 H ILE A 188 11.207 -9.134 3.298 1.00 0.82 H new ATOM 0 HA ILE A 188 13.166 -11.079 4.269 1.00 0.92 H new ATOM 0 HB ILE A 188 13.061 -9.916 6.542 1.00 0.99 H new ATOM 0 HG12 ILE A 188 12.233 -7.556 4.814 1.00 0.96 H new ATOM 0 HG13 ILE A 188 11.170 -8.401 5.922 1.00 0.96 H new ATOM 0 HG21 ILE A 188 14.897 -8.368 5.992 1.00 1.07 H new ATOM 0 HG22 ILE A 188 15.080 -9.932 5.163 1.00 1.07 H new ATOM 0 HG23 ILE A 188 14.494 -8.511 4.265 1.00 1.07 H new ATOM 0 HD11 ILE A 188 12.018 -6.336 6.924 1.00 1.11 H new ATOM 0 HD12 ILE A 188 12.612 -7.753 7.821 1.00 1.11 H new ATOM 0 HD13 ILE A 188 13.691 -6.896 6.696 1.00 1.11 H new ATOM 2050 N SER A 189 11.334 -12.137 5.704 1.00 1.12 N ATOM 2051 CA SER A 189 10.218 -12.867 6.313 1.00 1.23 C ATOM 2052 C SER A 189 9.190 -13.277 5.259 1.00 1.13 C ATOM 2053 O SER A 189 8.002 -13.418 5.550 1.00 1.15 O ATOM 2054 CB SER A 189 9.555 -12.019 7.406 1.00 1.31 C ATOM 2055 OG SER A 189 10.505 -11.594 8.370 1.00 1.86 O ATOM 0 H SER A 189 12.235 -12.607 5.794 1.00 1.12 H new ATOM 0 HA SER A 189 10.616 -13.774 6.768 1.00 1.23 H new ATOM 0 HB2 SER A 189 9.076 -11.150 6.956 1.00 1.31 H new ATOM 0 HB3 SER A 189 8.771 -12.598 7.894 1.00 1.31 H new ATOM 0 HG SER A 189 10.057 -11.054 9.054 1.00 1.86 H new ATOM 2061 N GLU A 190 9.678 -13.451 4.029 1.00 1.11 N ATOM 2062 CA GLU A 190 8.856 -13.843 2.880 1.00 1.13 C ATOM 2063 C GLU A 190 7.822 -12.768 2.533 1.00 0.96 C ATOM 2064 O GLU A 190 6.939 -12.985 1.703 1.00 1.05 O ATOM 2065 CB GLU A 190 8.169 -15.192 3.125 1.00 1.34 C ATOM 2066 CG GLU A 190 9.141 -16.316 3.460 1.00 1.74 C ATOM 2067 CD GLU A 190 10.290 -16.411 2.474 1.00 2.26 C ATOM 2068 OE1 GLU A 190 10.142 -17.111 1.449 1.00 2.66 O ATOM 2069 OE2 GLU A 190 11.344 -15.789 2.711 1.00 2.83 O ATOM 0 H GLU A 190 10.664 -13.323 3.799 1.00 1.11 H new ATOM 0 HA GLU A 190 9.526 -13.950 2.027 1.00 1.13 H new ATOM 0 HB2 GLU A 190 7.455 -15.084 3.941 1.00 1.34 H new ATOM 0 HB3 GLU A 190 7.599 -15.467 2.237 1.00 1.34 H new ATOM 0 HG2 GLU A 190 9.540 -16.159 4.462 1.00 1.74 H new ATOM 0 HG3 GLU A 190 8.602 -17.264 3.476 1.00 1.74 H new ATOM 2076 N GLN A 191 7.958 -11.601 3.145 1.00 0.81 N ATOM 2077 CA GLN A 191 7.042 -10.496 2.908 1.00 0.71 C ATOM 2078 C GLN A 191 7.807 -9.291 2.375 1.00 0.61 C ATOM 2079 O GLN A 191 9.042 -9.272 2.384 1.00 0.65 O ATOM 2080 CB GLN A 191 6.299 -10.134 4.199 1.00 0.78 C ATOM 2081 CG GLN A 191 7.217 -9.657 5.310 1.00 0.87 C ATOM 2082 CD GLN A 191 6.517 -9.501 6.643 1.00 1.15 C ATOM 2083 OE1 GLN A 191 7.127 -9.685 7.693 1.00 1.75 O ATOM 2084 NE2 GLN A 191 5.242 -9.144 6.624 1.00 1.46 N ATOM 0 H GLN A 191 8.700 -11.394 3.814 1.00 0.81 H new ATOM 0 HA GLN A 191 6.307 -10.800 2.163 1.00 0.71 H new ATOM 0 HB2 GLN A 191 5.568 -9.355 3.982 1.00 0.78 H new ATOM 0 HB3 GLN A 191 5.743 -11.005 4.546 1.00 0.78 H new ATOM 0 HG2 GLN A 191 8.039 -10.364 5.420 1.00 0.87 H new ATOM 0 HG3 GLN A 191 7.655 -8.701 5.024 1.00 0.87 H new ATOM 0 HE21 GLN A 191 4.766 -9.000 5.733 1.00 1.46 H new ATOM 0 HE22 GLN A 191 4.736 -9.013 7.500 1.00 1.46 H new ATOM 2093 N ILE A 192 7.072 -8.306 1.886 1.00 0.56 N ATOM 2094 CA ILE A 192 7.673 -7.100 1.336 1.00 0.50 C ATOM 2095 C ILE A 192 7.768 -6.021 2.407 1.00 0.47 C ATOM 2096 O ILE A 192 6.836 -5.835 3.192 1.00 0.61 O ATOM 2097 CB ILE A 192 6.851 -6.561 0.142 1.00 0.65 C ATOM 2098 CG1 ILE A 192 6.609 -7.673 -0.888 1.00 0.89 C ATOM 2099 CG2 ILE A 192 7.555 -5.380 -0.513 1.00 0.64 C ATOM 2100 CD1 ILE A 192 7.880 -8.291 -1.432 1.00 1.01 C ATOM 0 H ILE A 192 6.052 -8.318 1.858 1.00 0.56 H new ATOM 0 HA ILE A 192 8.672 -7.359 0.986 1.00 0.50 H new ATOM 0 HB ILE A 192 5.888 -6.218 0.521 1.00 0.65 H new ATOM 0 HG12 ILE A 192 6.004 -8.455 -0.429 1.00 0.89 H new ATOM 0 HG13 ILE A 192 6.030 -7.267 -1.717 1.00 0.89 H new ATOM 0 HG21 ILE A 192 6.957 -5.019 -1.350 1.00 0.64 H new ATOM 0 HG22 ILE A 192 7.679 -4.580 0.217 1.00 0.64 H new ATOM 0 HG23 ILE A 192 8.534 -5.695 -0.875 1.00 0.64 H new ATOM 0 HD11 ILE A 192 7.627 -9.068 -2.153 1.00 1.01 H new ATOM 0 HD12 ILE A 192 8.478 -7.522 -1.921 1.00 1.01 H new ATOM 0 HD13 ILE A 192 8.451 -8.728 -0.613 1.00 1.01 H new ATOM 2112 N TYR A 193 8.899 -5.333 2.454 1.00 0.48 N ATOM 2113 CA TYR A 193 9.091 -4.244 3.398 1.00 0.68 C ATOM 2114 C TYR A 193 9.800 -3.067 2.745 1.00 0.50 C ATOM 2115 O TYR A 193 10.601 -3.235 1.824 1.00 0.47 O ATOM 2116 CB TYR A 193 9.882 -4.710 4.621 1.00 1.05 C ATOM 2117 CG TYR A 193 9.006 -5.066 5.798 1.00 1.54 C ATOM 2118 CD1 TYR A 193 8.192 -4.108 6.384 1.00 2.35 C ATOM 2119 CD2 TYR A 193 8.995 -6.347 6.329 1.00 1.86 C ATOM 2120 CE1 TYR A 193 7.391 -4.414 7.464 1.00 3.17 C ATOM 2121 CE2 TYR A 193 8.195 -6.664 7.410 1.00 2.49 C ATOM 2122 CZ TYR A 193 7.394 -5.692 7.974 1.00 3.09 C ATOM 2123 OH TYR A 193 6.590 -6.001 9.048 1.00 3.94 O ATOM 0 H TYR A 193 9.699 -5.511 1.847 1.00 0.48 H new ATOM 0 HA TYR A 193 8.102 -3.919 3.722 1.00 0.68 H new ATOM 0 HB2 TYR A 193 10.482 -5.578 4.348 1.00 1.05 H new ATOM 0 HB3 TYR A 193 10.576 -3.923 4.918 1.00 1.05 H new ATOM 0 HD1 TYR A 193 8.185 -3.104 5.987 1.00 2.35 H new ATOM 0 HD2 TYR A 193 9.622 -7.109 5.890 1.00 1.86 H new ATOM 0 HE1 TYR A 193 6.764 -3.654 7.907 1.00 3.17 H new ATOM 0 HE2 TYR A 193 8.197 -7.667 7.811 1.00 2.49 H new ATOM 0 HH TYR A 193 6.709 -6.944 9.285 1.00 3.94 H new ATOM 2133 N TYR A 194 9.520 -1.879 3.253 1.00 0.49 N ATOM 2134 CA TYR A 194 10.096 -0.660 2.716 1.00 0.41 C ATOM 2135 C TYR A 194 11.269 -0.228 3.577 1.00 0.40 C ATOM 2136 O TYR A 194 11.099 0.139 4.740 1.00 0.49 O ATOM 2137 CB TYR A 194 9.034 0.444 2.675 1.00 0.56 C ATOM 2138 CG TYR A 194 8.114 0.371 1.472 1.00 0.59 C ATOM 2139 CD1 TYR A 194 7.481 -0.816 1.119 1.00 0.80 C ATOM 2140 CD2 TYR A 194 7.879 1.494 0.688 1.00 0.78 C ATOM 2141 CE1 TYR A 194 6.645 -0.882 0.019 1.00 0.89 C ATOM 2142 CE2 TYR A 194 7.044 1.437 -0.412 1.00 0.85 C ATOM 2143 CZ TYR A 194 6.431 0.248 -0.744 1.00 0.80 C ATOM 2144 OH TYR A 194 5.601 0.185 -1.841 1.00 0.92 O ATOM 0 H TYR A 194 8.892 -1.733 4.043 1.00 0.49 H new ATOM 0 HA TYR A 194 10.449 -0.844 1.701 1.00 0.41 H new ATOM 0 HB2 TYR A 194 8.433 0.390 3.583 1.00 0.56 H new ATOM 0 HB3 TYR A 194 9.532 1.413 2.680 1.00 0.56 H new ATOM 0 HD1 TYR A 194 7.645 -1.702 1.714 1.00 0.80 H new ATOM 0 HD2 TYR A 194 8.357 2.428 0.943 1.00 0.78 H new ATOM 0 HE1 TYR A 194 6.162 -1.812 -0.241 1.00 0.89 H new ATOM 0 HE2 TYR A 194 6.873 2.321 -1.009 1.00 0.85 H new ATOM 0 HH TYR A 194 5.028 0.980 -1.864 1.00 0.92 H new ATOM 2154 N LYS A 195 12.460 -0.278 3.002 1.00 0.37 N ATOM 2155 CA LYS A 195 13.668 0.059 3.733 1.00 0.38 C ATOM 2156 C LYS A 195 14.244 1.362 3.218 1.00 0.39 C ATOM 2157 O LYS A 195 14.608 1.475 2.045 1.00 0.43 O ATOM 2158 CB LYS A 195 14.702 -1.070 3.625 1.00 0.40 C ATOM 2159 CG LYS A 195 15.951 -0.848 4.472 1.00 0.43 C ATOM 2160 CD LYS A 195 17.067 -0.150 3.704 1.00 0.46 C ATOM 2161 CE LYS A 195 17.623 -1.023 2.591 1.00 0.53 C ATOM 2162 NZ LYS A 195 18.842 -0.434 1.980 1.00 1.11 N ATOM 0 H LYS A 195 12.615 -0.549 2.031 1.00 0.37 H new ATOM 0 HA LYS A 195 13.413 0.183 4.785 1.00 0.38 H new ATOM 0 HB2 LYS A 195 14.234 -2.008 3.924 1.00 0.40 H new ATOM 0 HB3 LYS A 195 14.997 -1.180 2.582 1.00 0.40 H new ATOM 0 HG2 LYS A 195 15.690 -0.253 5.347 1.00 0.43 H new ATOM 0 HG3 LYS A 195 16.313 -1.809 4.837 1.00 0.43 H new ATOM 0 HD2 LYS A 195 16.689 0.781 3.281 1.00 0.46 H new ATOM 0 HD3 LYS A 195 17.870 0.116 4.392 1.00 0.46 H new ATOM 0 HE2 LYS A 195 17.857 -2.011 2.987 1.00 0.53 H new ATOM 0 HE3 LYS A 195 16.862 -1.160 1.823 1.00 0.53 H new ATOM 0 HZ1 LYS A 195 19.189 -1.060 1.226 1.00 1.11 H new ATOM 0 HZ2 LYS A 195 18.614 0.498 1.579 1.00 1.11 H new ATOM 0 HZ3 LYS A 195 19.578 -0.327 2.707 1.00 1.11 H new ATOM 2176 N VAL A 196 14.322 2.340 4.096 1.00 0.41 N ATOM 2177 CA VAL A 196 14.839 3.640 3.736 1.00 0.45 C ATOM 2178 C VAL A 196 16.335 3.693 3.987 1.00 0.43 C ATOM 2179 O VAL A 196 16.875 2.963 4.822 1.00 0.41 O ATOM 2180 CB VAL A 196 14.146 4.773 4.498 1.00 0.51 C ATOM 2181 CG1 VAL A 196 14.246 6.058 3.709 1.00 0.70 C ATOM 2182 CG2 VAL A 196 12.690 4.427 4.800 1.00 0.68 C ATOM 0 H VAL A 196 14.031 2.256 5.070 1.00 0.41 H new ATOM 0 HA VAL A 196 14.635 3.785 2.675 1.00 0.45 H new ATOM 0 HB VAL A 196 14.652 4.908 5.454 1.00 0.51 H new ATOM 0 HG11 VAL A 196 13.751 6.860 4.256 1.00 0.70 H new ATOM 0 HG12 VAL A 196 15.295 6.313 3.561 1.00 0.70 H new ATOM 0 HG13 VAL A 196 13.764 5.929 2.740 1.00 0.70 H new ATOM 0 HG21 VAL A 196 12.225 5.251 5.342 1.00 0.68 H new ATOM 0 HG22 VAL A 196 12.155 4.259 3.866 1.00 0.68 H new ATOM 0 HG23 VAL A 196 12.649 3.524 5.409 1.00 0.68 H new ATOM 2192 N ILE A 197 16.989 4.542 3.225 1.00 0.47 N ATOM 2193 CA ILE A 197 18.441 4.548 3.135 1.00 0.45 C ATOM 2194 C ILE A 197 19.051 5.491 4.150 1.00 0.45 C ATOM 2195 O ILE A 197 19.874 5.091 4.974 1.00 0.49 O ATOM 2196 CB ILE A 197 18.920 4.988 1.734 1.00 0.47 C ATOM 2197 CG1 ILE A 197 17.875 4.688 0.666 1.00 0.60 C ATOM 2198 CG2 ILE A 197 20.222 4.299 1.381 1.00 0.47 C ATOM 2199 CD1 ILE A 197 17.467 3.238 0.590 1.00 0.62 C ATOM 0 H ILE A 197 16.533 5.249 2.649 1.00 0.47 H new ATOM 0 HA ILE A 197 18.763 3.526 3.333 1.00 0.45 H new ATOM 0 HB ILE A 197 19.077 6.066 1.765 1.00 0.47 H new ATOM 0 HG12 ILE A 197 16.989 5.293 0.860 1.00 0.60 H new ATOM 0 HG13 ILE A 197 18.265 4.995 -0.304 1.00 0.60 H new ATOM 0 HG21 ILE A 197 20.546 4.619 0.391 1.00 0.47 H new ATOM 0 HG22 ILE A 197 20.984 4.562 2.115 1.00 0.47 H new ATOM 0 HG23 ILE A 197 20.074 3.219 1.382 1.00 0.47 H new ATOM 0 HD11 ILE A 197 16.721 3.111 -0.194 1.00 0.62 H new ATOM 0 HD12 ILE A 197 18.340 2.626 0.364 1.00 0.62 H new ATOM 0 HD13 ILE A 197 17.045 2.928 1.546 1.00 0.62 H new ATOM 2211 N LYS A 198 18.662 6.749 4.068 1.00 0.47 N ATOM 2212 CA LYS A 198 19.220 7.770 4.939 1.00 0.49 C ATOM 2213 C LYS A 198 18.149 8.745 5.415 1.00 0.48 C ATOM 2214 O LYS A 198 17.010 8.705 4.946 1.00 0.49 O ATOM 2215 CB LYS A 198 20.366 8.512 4.230 1.00 0.59 C ATOM 2216 CG LYS A 198 19.973 9.152 2.909 1.00 0.75 C ATOM 2217 CD LYS A 198 19.447 10.563 3.106 1.00 0.94 C ATOM 2218 CE LYS A 198 18.330 10.877 2.134 1.00 0.98 C ATOM 2219 NZ LYS A 198 17.894 12.298 2.231 1.00 1.38 N ATOM 0 H LYS A 198 17.963 7.090 3.408 1.00 0.47 H new ATOM 0 HA LYS A 198 19.623 7.275 5.822 1.00 0.49 H new ATOM 0 HB2 LYS A 198 20.749 9.286 4.895 1.00 0.59 H new ATOM 0 HB3 LYS A 198 21.182 7.811 4.053 1.00 0.59 H new ATOM 0 HG2 LYS A 198 20.836 9.174 2.244 1.00 0.75 H new ATOM 0 HG3 LYS A 198 19.211 8.544 2.422 1.00 0.75 H new ATOM 0 HD2 LYS A 198 19.085 10.679 4.128 1.00 0.94 H new ATOM 0 HD3 LYS A 198 20.259 11.278 2.972 1.00 0.94 H new ATOM 0 HE2 LYS A 198 18.663 10.668 1.118 1.00 0.98 H new ATOM 0 HE3 LYS A 198 17.481 10.222 2.332 1.00 0.98 H new ATOM 0 HZ1 LYS A 198 17.105 12.465 1.574 1.00 1.38 H new ATOM 0 HZ2 LYS A 198 17.584 12.500 3.203 1.00 1.38 H new ATOM 0 HZ3 LYS A 198 18.688 12.922 1.984 1.00 1.38 H new ATOM 2233 N ASP A 199 18.550 9.627 6.331 1.00 0.52 N ATOM 2234 CA ASP A 199 17.655 10.600 6.957 1.00 0.56 C ATOM 2235 C ASP A 199 16.774 11.333 5.946 1.00 0.55 C ATOM 2236 O ASP A 199 17.261 12.001 5.031 1.00 0.67 O ATOM 2237 CB ASP A 199 18.465 11.620 7.766 1.00 0.67 C ATOM 2238 CG ASP A 199 18.999 11.056 9.069 1.00 1.56 C ATOM 2239 OD1 ASP A 199 19.798 10.093 9.019 1.00 2.23 O ATOM 2240 OD2 ASP A 199 18.624 11.568 10.148 1.00 2.13 O ATOM 0 H ASP A 199 19.513 9.686 6.662 1.00 0.52 H new ATOM 0 HA ASP A 199 16.994 10.037 7.616 1.00 0.56 H new ATOM 0 HB2 ASP A 199 19.300 11.974 7.161 1.00 0.67 H new ATOM 0 HB3 ASP A 199 17.838 12.485 7.981 1.00 0.67 H new ATOM 2245 N ILE A 200 15.472 11.184 6.122 1.00 0.52 N ATOM 2246 CA ILE A 200 14.493 11.876 5.295 1.00 0.55 C ATOM 2247 C ILE A 200 14.269 13.298 5.790 1.00 0.54 C ATOM 2248 O ILE A 200 14.236 13.545 6.996 1.00 0.57 O ATOM 2249 CB ILE A 200 13.138 11.124 5.291 1.00 0.63 C ATOM 2250 CG1 ILE A 200 13.230 9.838 4.468 1.00 0.69 C ATOM 2251 CG2 ILE A 200 12.014 12.014 4.771 1.00 0.80 C ATOM 2252 CD1 ILE A 200 13.525 10.070 3.000 1.00 0.88 C ATOM 0 H ILE A 200 15.063 10.583 6.838 1.00 0.52 H new ATOM 0 HA ILE A 200 14.891 11.906 4.281 1.00 0.55 H new ATOM 0 HB ILE A 200 12.906 10.856 6.322 1.00 0.63 H new ATOM 0 HG12 ILE A 200 14.009 9.203 4.889 1.00 0.69 H new ATOM 0 HG13 ILE A 200 12.291 9.292 4.558 1.00 0.69 H new ATOM 0 HG21 ILE A 200 11.076 11.458 4.780 1.00 0.80 H new ATOM 0 HG22 ILE A 200 11.921 12.893 5.409 1.00 0.80 H new ATOM 0 HG23 ILE A 200 12.240 12.327 3.752 1.00 0.80 H new ATOM 0 HD11 ILE A 200 13.575 9.112 2.483 1.00 0.88 H new ATOM 0 HD12 ILE A 200 12.734 10.678 2.562 1.00 0.88 H new ATOM 0 HD13 ILE A 200 14.479 10.587 2.898 1.00 0.88 H new ATOM 2264 N GLU A 201 14.137 14.229 4.857 1.00 0.55 N ATOM 2265 CA GLU A 201 13.747 15.590 5.188 1.00 0.57 C ATOM 2266 C GLU A 201 12.222 15.692 5.217 1.00 0.49 C ATOM 2267 O GLU A 201 11.550 15.226 4.297 1.00 0.55 O ATOM 2268 CB GLU A 201 14.324 16.570 4.166 1.00 0.68 C ATOM 2269 CG GLU A 201 15.842 16.631 4.185 1.00 0.81 C ATOM 2270 CD GLU A 201 16.394 17.650 3.212 1.00 1.29 C ATOM 2271 OE1 GLU A 201 16.331 18.865 3.513 1.00 1.51 O ATOM 2272 OE2 GLU A 201 16.892 17.246 2.142 1.00 2.06 O ATOM 0 H GLU A 201 14.295 14.066 3.863 1.00 0.55 H new ATOM 0 HA GLU A 201 14.142 15.846 6.171 1.00 0.57 H new ATOM 0 HB2 GLU A 201 13.991 16.283 3.169 1.00 0.68 H new ATOM 0 HB3 GLU A 201 13.924 17.565 4.361 1.00 0.68 H new ATOM 0 HG2 GLU A 201 16.180 16.875 5.192 1.00 0.81 H new ATOM 0 HG3 GLU A 201 16.245 15.647 3.943 1.00 0.81 H new ATOM 2279 N PRO A 202 11.651 16.274 6.288 1.00 0.43 N ATOM 2280 CA PRO A 202 10.197 16.407 6.431 1.00 0.43 C ATOM 2281 C PRO A 202 9.562 17.117 5.242 1.00 0.45 C ATOM 2282 O PRO A 202 9.852 18.285 4.973 1.00 0.51 O ATOM 2283 CB PRO A 202 10.032 17.244 7.705 1.00 0.49 C ATOM 2284 CG PRO A 202 11.289 17.024 8.469 1.00 0.49 C ATOM 2285 CD PRO A 202 12.371 16.845 7.440 1.00 0.45 C ATOM 0 HA PRO A 202 9.705 15.436 6.481 1.00 0.43 H new ATOM 0 HB2 PRO A 202 9.891 18.299 7.470 1.00 0.49 H new ATOM 0 HB3 PRO A 202 9.160 16.926 8.277 1.00 0.49 H new ATOM 0 HG2 PRO A 202 11.505 17.872 9.119 1.00 0.49 H new ATOM 0 HG3 PRO A 202 11.209 16.145 9.108 1.00 0.49 H new ATOM 0 HD2 PRO A 202 12.847 17.793 7.188 1.00 0.45 H new ATOM 0 HD3 PRO A 202 13.157 16.178 7.794 1.00 0.45 H new ATOM 2293 N GLY A 203 8.692 16.409 4.538 1.00 0.44 N ATOM 2294 CA GLY A 203 8.056 16.970 3.368 1.00 0.52 C ATOM 2295 C GLY A 203 8.320 16.158 2.117 1.00 0.54 C ATOM 2296 O GLY A 203 7.690 16.385 1.084 1.00 0.70 O ATOM 0 H GLY A 203 8.415 15.452 4.758 1.00 0.44 H new ATOM 0 HA2 GLY A 203 6.981 17.031 3.537 1.00 0.52 H new ATOM 0 HA3 GLY A 203 8.413 17.989 3.218 1.00 0.52 H new ATOM 2300 N GLU A 204 9.250 15.213 2.201 1.00 0.48 N ATOM 2301 CA GLU A 204 9.574 14.374 1.054 1.00 0.51 C ATOM 2302 C GLU A 204 9.881 12.938 1.471 1.00 0.39 C ATOM 2303 O GLU A 204 10.807 12.689 2.232 1.00 0.40 O ATOM 2304 CB GLU A 204 10.790 14.959 0.331 1.00 0.65 C ATOM 2305 CG GLU A 204 12.010 15.109 1.233 1.00 0.71 C ATOM 2306 CD GLU A 204 13.181 15.752 0.530 1.00 0.99 C ATOM 2307 OE1 GLU A 204 14.080 15.017 0.072 1.00 1.16 O ATOM 2308 OE2 GLU A 204 13.207 16.997 0.425 1.00 1.27 O ATOM 0 H GLU A 204 9.788 15.010 3.043 1.00 0.48 H new ATOM 0 HA GLU A 204 8.706 14.355 0.394 1.00 0.51 H new ATOM 0 HB2 GLU A 204 11.046 14.318 -0.512 1.00 0.65 H new ATOM 0 HB3 GLU A 204 10.527 15.934 -0.078 1.00 0.65 H new ATOM 0 HG2 GLU A 204 11.741 15.707 2.103 1.00 0.71 H new ATOM 0 HG3 GLU A 204 12.307 14.127 1.601 1.00 0.71 H new ATOM 2315 N GLU A 205 9.106 11.993 0.974 1.00 0.47 N ATOM 2316 CA GLU A 205 9.446 10.591 1.124 1.00 0.51 C ATOM 2317 C GLU A 205 9.811 9.987 -0.216 1.00 0.43 C ATOM 2318 O GLU A 205 9.059 10.109 -1.182 1.00 0.49 O ATOM 2319 CB GLU A 205 8.314 9.804 1.772 1.00 0.80 C ATOM 2320 CG GLU A 205 8.185 10.069 3.262 1.00 1.49 C ATOM 2321 CD GLU A 205 7.087 9.254 3.907 1.00 2.41 C ATOM 2322 OE1 GLU A 205 6.050 9.845 4.275 1.00 2.84 O ATOM 2323 OE2 GLU A 205 7.262 8.028 4.044 1.00 2.92 O ATOM 0 H GLU A 205 8.240 12.169 0.465 1.00 0.47 H new ATOM 0 HA GLU A 205 10.311 10.531 1.785 1.00 0.51 H new ATOM 0 HB2 GLU A 205 7.375 10.058 1.281 1.00 0.80 H new ATOM 0 HB3 GLU A 205 8.481 8.739 1.611 1.00 0.80 H new ATOM 0 HG2 GLU A 205 9.133 9.844 3.750 1.00 1.49 H new ATOM 0 HG3 GLU A 205 7.987 11.129 3.423 1.00 1.49 H new ATOM 2330 N LEU A 206 10.968 9.354 -0.284 1.00 0.37 N ATOM 2331 CA LEU A 206 11.355 8.654 -1.492 1.00 0.36 C ATOM 2332 C LEU A 206 11.461 7.165 -1.194 1.00 0.36 C ATOM 2333 O LEU A 206 12.457 6.708 -0.645 1.00 0.39 O ATOM 2334 CB LEU A 206 12.697 9.182 -2.037 1.00 0.41 C ATOM 2335 CG LEU A 206 12.744 10.662 -2.456 1.00 0.44 C ATOM 2336 CD1 LEU A 206 11.568 11.018 -3.357 1.00 0.90 C ATOM 2337 CD2 LEU A 206 12.796 11.574 -1.236 1.00 0.84 C ATOM 0 H LEU A 206 11.648 9.311 0.475 1.00 0.37 H new ATOM 0 HA LEU A 206 10.596 8.826 -2.255 1.00 0.36 H new ATOM 0 HB2 LEU A 206 13.460 9.021 -1.275 1.00 0.41 H new ATOM 0 HB3 LEU A 206 12.975 8.576 -2.899 1.00 0.41 H new ATOM 0 HG LEU A 206 13.658 10.816 -3.029 1.00 0.44 H new ATOM 0 HD11 LEU A 206 11.629 12.070 -3.636 1.00 0.90 H new ATOM 0 HD12 LEU A 206 11.598 10.402 -4.256 1.00 0.90 H new ATOM 0 HD13 LEU A 206 10.634 10.837 -2.825 1.00 0.90 H new ATOM 0 HD21 LEU A 206 12.829 12.614 -1.560 1.00 0.84 H new ATOM 0 HD22 LEU A 206 11.909 11.413 -0.623 1.00 0.84 H new ATOM 0 HD23 LEU A 206 13.687 11.348 -0.651 1.00 0.84 H new ATOM 2349 N LEU A 207 10.425 6.426 -1.568 1.00 0.37 N ATOM 2350 CA LEU A 207 10.358 4.978 -1.386 1.00 0.40 C ATOM 2351 C LEU A 207 9.602 4.377 -2.565 1.00 0.43 C ATOM 2352 O LEU A 207 8.495 4.805 -2.855 1.00 0.53 O ATOM 2353 CB LEU A 207 9.633 4.613 -0.079 1.00 0.43 C ATOM 2354 CG LEU A 207 10.439 4.733 1.230 1.00 0.45 C ATOM 2355 CD1 LEU A 207 11.853 4.190 1.064 1.00 0.49 C ATOM 2356 CD2 LEU A 207 10.462 6.170 1.740 1.00 0.44 C ATOM 0 H LEU A 207 9.595 6.819 -2.013 1.00 0.37 H new ATOM 0 HA LEU A 207 11.372 4.582 -1.332 1.00 0.40 H new ATOM 0 HB2 LEU A 207 8.752 5.248 0.007 1.00 0.43 H new ATOM 0 HB3 LEU A 207 9.278 3.586 -0.165 1.00 0.43 H new ATOM 0 HG LEU A 207 9.934 4.123 1.979 1.00 0.45 H new ATOM 0 HD11 LEU A 207 12.394 4.290 2.005 1.00 0.49 H new ATOM 0 HD12 LEU A 207 11.808 3.138 0.781 1.00 0.49 H new ATOM 0 HD13 LEU A 207 12.370 4.753 0.287 1.00 0.49 H new ATOM 0 HD21 LEU A 207 11.038 6.219 2.664 1.00 0.44 H new ATOM 0 HD22 LEU A 207 10.922 6.815 0.991 1.00 0.44 H new ATOM 0 HD23 LEU A 207 9.442 6.505 1.930 1.00 0.44 H new ATOM 2368 N VAL A 208 10.184 3.417 -3.263 1.00 0.43 N ATOM 2369 CA VAL A 208 9.514 2.843 -4.419 1.00 0.50 C ATOM 2370 C VAL A 208 9.962 1.413 -4.667 1.00 0.57 C ATOM 2371 O VAL A 208 11.041 1.005 -4.231 1.00 0.59 O ATOM 2372 CB VAL A 208 9.804 3.671 -5.691 1.00 0.48 C ATOM 2373 CG1 VAL A 208 11.241 3.457 -6.149 1.00 0.91 C ATOM 2374 CG2 VAL A 208 8.816 3.330 -6.801 1.00 0.88 C ATOM 0 H VAL A 208 11.102 3.024 -3.056 1.00 0.43 H new ATOM 0 HA VAL A 208 8.446 2.855 -4.202 1.00 0.50 H new ATOM 0 HB VAL A 208 9.678 4.726 -5.450 1.00 0.48 H new ATOM 0 HG11 VAL A 208 11.429 4.047 -7.046 1.00 0.91 H new ATOM 0 HG12 VAL A 208 11.925 3.769 -5.360 1.00 0.91 H new ATOM 0 HG13 VAL A 208 11.399 2.401 -6.370 1.00 0.91 H new ATOM 0 HG21 VAL A 208 9.042 3.926 -7.685 1.00 0.88 H new ATOM 0 HG22 VAL A 208 8.897 2.271 -7.047 1.00 0.88 H new ATOM 0 HG23 VAL A 208 7.802 3.548 -6.465 1.00 0.88 H new ATOM 2384 N HIS A 209 9.125 0.653 -5.353 1.00 0.69 N ATOM 2385 CA HIS A 209 9.562 -0.588 -5.945 1.00 0.82 C ATOM 2386 C HIS A 209 9.596 -0.425 -7.458 1.00 0.94 C ATOM 2387 O HIS A 209 8.555 -0.358 -8.109 1.00 1.09 O ATOM 2388 CB HIS A 209 8.619 -1.736 -5.569 1.00 1.02 C ATOM 2389 CG HIS A 209 9.161 -3.096 -5.893 1.00 1.20 C ATOM 2390 ND1 HIS A 209 8.331 -4.170 -6.077 1.00 1.42 N ATOM 2391 CD2 HIS A 209 10.447 -3.503 -6.035 1.00 1.41 C ATOM 2392 CE1 HIS A 209 9.120 -5.200 -6.324 1.00 1.54 C ATOM 2393 NE2 HIS A 209 10.411 -4.846 -6.308 1.00 1.55 N ATOM 0 H HIS A 209 8.143 0.878 -5.510 1.00 0.69 H new ATOM 0 HA HIS A 209 10.556 -0.830 -5.570 1.00 0.82 H new ATOM 0 HB2 HIS A 209 8.407 -1.685 -4.501 1.00 1.02 H new ATOM 0 HB3 HIS A 209 7.671 -1.600 -6.089 1.00 1.02 H new ATOM 0 HD2 HIS A 209 11.330 -2.887 -5.949 1.00 1.41 H new ATOM 0 HE1 HIS A 209 8.768 -6.203 -6.515 1.00 1.54 H new ATOM 0 HE2 HIS A 209 11.212 -5.457 -6.468 1.00 1.55 H new ATOM 2401 N VAL A 210 10.793 -0.330 -8.004 1.00 1.14 N ATOM 2402 CA VAL A 210 10.989 -0.378 -9.439 1.00 1.45 C ATOM 2403 C VAL A 210 11.617 -1.710 -9.814 1.00 1.58 C ATOM 2404 O VAL A 210 12.440 -2.248 -9.069 1.00 1.82 O ATOM 2405 CB VAL A 210 11.878 0.784 -9.940 1.00 1.92 C ATOM 2406 CG1 VAL A 210 11.160 2.113 -9.777 1.00 2.56 C ATOM 2407 CG2 VAL A 210 13.211 0.810 -9.203 1.00 2.44 C ATOM 0 H VAL A 210 11.653 -0.218 -7.468 1.00 1.14 H new ATOM 0 HA VAL A 210 10.015 -0.273 -9.918 1.00 1.45 H new ATOM 0 HB VAL A 210 12.078 0.621 -10.999 1.00 1.92 H new ATOM 0 HG11 VAL A 210 11.801 2.919 -10.135 1.00 2.56 H new ATOM 0 HG12 VAL A 210 10.236 2.101 -10.355 1.00 2.56 H new ATOM 0 HG13 VAL A 210 10.928 2.274 -8.724 1.00 2.56 H new ATOM 0 HG21 VAL A 210 13.816 1.637 -9.575 1.00 2.44 H new ATOM 0 HG22 VAL A 210 13.034 0.941 -8.136 1.00 2.44 H new ATOM 0 HG23 VAL A 210 13.738 -0.129 -9.371 1.00 2.44 H new