USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=19 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 189 SER OG : rot -53:sc= 0.366 USER MOD Set 1.2: A 191 GLN : amide:sc= 0 X(o=0.37,f=0.15) USER MOD Set 2.1: A 185 MET CE :methyl -123:sc= -0.156 (180deg=-1.05) USER MOD Set 2.2: A 194 TYR OH : rot 122:sc= 0.0817 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -1.01 USER MOD Single : A 101 LYS NZ :NH3+ -177:sc= 1.17 (180deg=1.08) USER MOD Single : A 103 LYS NZ :NH3+ 134:sc= 1.25 (180deg=1.11) USER MOD Single : A 104 MET CE :methyl -132:sc= -2.4! (180deg=-4.65!) USER MOD Single : A 113 CYS SG : rot -23:sc= -0.614 USER MOD Single : A 167 SER OG : rot 180:sc= 0.0258 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 TYR OH : rot 180:sc= 0 USER MOD Single : A 176 CYS SG : rot 123:sc= 0.327 USER MOD Single : A 177 SER OG : rot -37:sc= 1.26 USER MOD Single : A 178 CYS SG : rot 180:sc= 0 USER MOD Single : A 181 GLN : amide:sc= -2.8! C(o=-2.8!,f=-6.9!) USER MOD Single : A 182 ASN : amide:sc= -6.66 K(o=-6.7,f=-14!) USER MOD Single : A 184 THR OG1 : rot -2:sc= 0.464 USER MOD Single : A 186 CYS SG : rot 180:sc= -0.506 USER MOD Single : A 187 GLN : amide:sc= -0.932 K(o=-0.93,f=-1.8!) USER MOD Single : A 193 TYR OH : rot 180:sc=-0.00357 USER MOD Single : A 195 LYS NZ :NH3+ -162:sc= -0.0767 (180deg=-0.402) USER MOD Single : A 198 LYS NZ :NH3+ -140:sc= 0.729 (180deg=-0.093) USER MOD Single : A 209 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD ----------------------------------------------------------------- ATOM 388 N ILE A 78 -8.279 4.785 4.934 1.00 1.90 N ATOM 389 CA ILE A 78 -7.170 3.880 5.171 1.00 1.74 C ATOM 390 C ILE A 78 -6.464 4.233 6.475 1.00 1.48 C ATOM 391 O ILE A 78 -6.045 5.379 6.669 1.00 1.42 O ATOM 392 CB ILE A 78 -6.150 3.934 4.009 1.00 1.86 C ATOM 393 CG1 ILE A 78 -6.819 3.527 2.693 1.00 2.18 C ATOM 394 CG2 ILE A 78 -4.951 3.041 4.302 1.00 1.84 C ATOM 395 CD1 ILE A 78 -5.923 3.671 1.483 1.00 2.45 C ATOM 0 HA ILE A 78 -7.576 2.871 5.238 1.00 1.74 H new ATOM 0 HB ILE A 78 -5.793 4.959 3.912 1.00 1.86 H new ATOM 0 HG12 ILE A 78 -7.148 2.491 2.769 1.00 2.18 H new ATOM 0 HG13 ILE A 78 -7.712 4.135 2.547 1.00 2.18 H new ATOM 0 HG21 ILE A 78 -4.246 3.094 3.472 1.00 1.84 H new ATOM 0 HG22 ILE A 78 -4.461 3.378 5.216 1.00 1.84 H new ATOM 0 HG23 ILE A 78 -5.286 2.012 4.428 1.00 1.84 H new ATOM 0 HD11 ILE A 78 -6.466 3.364 0.589 1.00 2.45 H new ATOM 0 HD12 ILE A 78 -5.614 4.711 1.381 1.00 2.45 H new ATOM 0 HD13 ILE A 78 -5.042 3.041 1.606 1.00 2.45 H new ATOM 407 N PRO A 79 -6.343 3.266 7.394 1.00 1.44 N ATOM 408 CA PRO A 79 -5.608 3.461 8.640 1.00 1.27 C ATOM 409 C PRO A 79 -4.106 3.514 8.386 1.00 1.11 C ATOM 410 O PRO A 79 -3.505 2.542 7.921 1.00 1.23 O ATOM 411 CB PRO A 79 -5.979 2.234 9.474 1.00 1.50 C ATOM 412 CG PRO A 79 -6.341 1.187 8.479 1.00 1.75 C ATOM 413 CD PRO A 79 -6.920 1.911 7.293 1.00 1.70 C ATOM 0 HA PRO A 79 -5.857 4.400 9.135 1.00 1.27 H new ATOM 0 HB2 PRO A 79 -5.145 1.914 10.098 1.00 1.50 H new ATOM 0 HB3 PRO A 79 -6.813 2.448 10.142 1.00 1.50 H new ATOM 0 HG2 PRO A 79 -5.465 0.606 8.190 1.00 1.75 H new ATOM 0 HG3 PRO A 79 -7.064 0.487 8.897 1.00 1.75 H new ATOM 0 HD2 PRO A 79 -6.645 1.428 6.356 1.00 1.70 H new ATOM 0 HD3 PRO A 79 -8.009 1.936 7.332 1.00 1.70 H new ATOM 421 N ILE A 80 -3.504 4.652 8.677 1.00 0.93 N ATOM 422 CA ILE A 80 -2.090 4.849 8.423 1.00 0.82 C ATOM 423 C ILE A 80 -1.383 5.293 9.693 1.00 0.72 C ATOM 424 O ILE A 80 -1.977 5.975 10.533 1.00 0.74 O ATOM 425 CB ILE A 80 -1.837 5.904 7.311 1.00 0.86 C ATOM 426 CG1 ILE A 80 -2.231 7.317 7.768 1.00 0.89 C ATOM 427 CG2 ILE A 80 -2.600 5.537 6.048 1.00 1.01 C ATOM 428 CD1 ILE A 80 -3.720 7.588 7.748 1.00 0.99 C ATOM 0 H ILE A 80 -3.975 5.457 9.091 1.00 0.93 H new ATOM 0 HA ILE A 80 -1.692 3.892 8.085 1.00 0.82 H new ATOM 0 HB ILE A 80 -0.768 5.905 7.099 1.00 0.86 H new ATOM 0 HG12 ILE A 80 -1.859 7.475 8.780 1.00 0.89 H new ATOM 0 HG13 ILE A 80 -1.733 8.045 7.128 1.00 0.89 H new ATOM 0 HG21 ILE A 80 -2.412 6.286 5.279 1.00 1.01 H new ATOM 0 HG22 ILE A 80 -2.268 4.561 5.693 1.00 1.01 H new ATOM 0 HG23 ILE A 80 -3.667 5.500 6.266 1.00 1.01 H new ATOM 0 HD11 ILE A 80 -3.909 8.607 8.085 1.00 0.99 H new ATOM 0 HD12 ILE A 80 -4.099 7.465 6.733 1.00 0.99 H new ATOM 0 HD13 ILE A 80 -4.226 6.887 8.411 1.00 0.99 H new ATOM 440 N PRO A 81 -0.121 4.878 9.872 1.00 0.68 N ATOM 441 CA PRO A 81 0.727 5.401 10.937 1.00 0.67 C ATOM 442 C PRO A 81 0.824 6.917 10.842 1.00 0.64 C ATOM 443 O PRO A 81 1.211 7.458 9.802 1.00 0.61 O ATOM 444 CB PRO A 81 2.087 4.750 10.676 1.00 0.69 C ATOM 445 CG PRO A 81 1.776 3.522 9.892 1.00 0.71 C ATOM 446 CD PRO A 81 0.562 3.852 9.069 1.00 0.73 C ATOM 0 HA PRO A 81 0.343 5.182 11.933 1.00 0.67 H new ATOM 0 HB2 PRO A 81 2.745 5.418 10.121 1.00 0.69 H new ATOM 0 HB3 PRO A 81 2.594 4.506 11.609 1.00 0.69 H new ATOM 0 HG2 PRO A 81 2.615 3.243 9.255 1.00 0.71 H new ATOM 0 HG3 PRO A 81 1.582 2.676 10.552 1.00 0.71 H new ATOM 0 HD2 PRO A 81 0.834 4.228 8.083 1.00 0.73 H new ATOM 0 HD3 PRO A 81 -0.069 2.977 8.913 1.00 0.73 H new ATOM 454 N ALA A 82 0.478 7.595 11.928 1.00 0.75 N ATOM 455 CA ALA A 82 0.387 9.050 11.939 1.00 0.80 C ATOM 456 C ALA A 82 1.738 9.720 11.695 1.00 0.71 C ATOM 457 O ALA A 82 1.802 10.926 11.504 1.00 0.78 O ATOM 458 CB ALA A 82 -0.206 9.530 13.254 1.00 1.04 C ATOM 0 H ALA A 82 0.254 7.156 12.821 1.00 0.75 H new ATOM 0 HA ALA A 82 -0.269 9.337 11.117 1.00 0.80 H new ATOM 0 HB1 ALA A 82 -0.268 10.618 13.249 1.00 1.04 H new ATOM 0 HB2 ALA A 82 -1.204 9.110 13.378 1.00 1.04 H new ATOM 0 HB3 ALA A 82 0.429 9.207 14.079 1.00 1.04 H new ATOM 464 N ASP A 83 2.808 8.930 11.682 1.00 0.67 N ATOM 465 CA ASP A 83 4.167 9.440 11.468 1.00 0.70 C ATOM 466 C ASP A 83 4.344 9.994 10.047 1.00 0.55 C ATOM 467 O ASP A 83 5.336 10.653 9.739 1.00 0.60 O ATOM 468 CB ASP A 83 5.182 8.322 11.735 1.00 0.88 C ATOM 469 CG ASP A 83 6.620 8.804 11.740 1.00 1.05 C ATOM 470 OD1 ASP A 83 6.902 9.838 12.380 1.00 1.39 O ATOM 471 OD2 ASP A 83 7.483 8.125 11.143 1.00 1.66 O ATOM 0 H ASP A 83 2.762 7.920 11.819 1.00 0.67 H new ATOM 0 HA ASP A 83 4.338 10.262 12.163 1.00 0.70 H new ATOM 0 HB2 ASP A 83 4.958 7.860 12.696 1.00 0.88 H new ATOM 0 HB3 ASP A 83 5.068 7.549 10.975 1.00 0.88 H new ATOM 476 N PHE A 84 3.349 9.764 9.204 1.00 0.45 N ATOM 477 CA PHE A 84 3.385 10.201 7.814 1.00 0.41 C ATOM 478 C PHE A 84 2.049 10.833 7.483 1.00 0.40 C ATOM 479 O PHE A 84 1.051 10.555 8.149 1.00 0.56 O ATOM 480 CB PHE A 84 3.652 9.025 6.862 1.00 0.42 C ATOM 481 CG PHE A 84 4.665 8.045 7.379 1.00 0.56 C ATOM 482 CD1 PHE A 84 4.266 6.913 8.066 1.00 0.66 C ATOM 483 CD2 PHE A 84 6.017 8.257 7.169 1.00 0.79 C ATOM 484 CE1 PHE A 84 5.197 6.009 8.534 1.00 0.87 C ATOM 485 CE2 PHE A 84 6.952 7.358 7.635 1.00 0.98 C ATOM 486 CZ PHE A 84 6.527 6.236 8.350 1.00 1.00 C ATOM 0 H PHE A 84 2.495 9.270 9.462 1.00 0.45 H new ATOM 0 HA PHE A 84 4.196 10.918 7.686 1.00 0.41 H new ATOM 0 HB2 PHE A 84 2.715 8.500 6.676 1.00 0.42 H new ATOM 0 HB3 PHE A 84 3.994 9.416 5.904 1.00 0.42 H new ATOM 0 HD1 PHE A 84 3.215 6.735 8.238 1.00 0.66 H new ATOM 0 HD2 PHE A 84 6.343 9.137 6.634 1.00 0.79 H new ATOM 0 HE1 PHE A 84 4.870 5.118 9.048 1.00 0.87 H new ATOM 0 HE2 PHE A 84 8.004 7.520 7.449 1.00 0.98 H new ATOM 0 HZ PHE A 84 7.253 5.548 8.757 1.00 1.00 H new ATOM 496 N GLU A 85 2.011 11.690 6.483 1.00 0.39 N ATOM 497 CA GLU A 85 0.767 12.340 6.130 1.00 0.44 C ATOM 498 C GLU A 85 0.382 12.048 4.684 1.00 0.39 C ATOM 499 O GLU A 85 1.079 12.442 3.754 1.00 0.40 O ATOM 500 CB GLU A 85 0.882 13.847 6.360 1.00 0.61 C ATOM 501 CG GLU A 85 -0.439 14.581 6.242 1.00 1.15 C ATOM 502 CD GLU A 85 -1.488 14.028 7.182 1.00 1.60 C ATOM 503 OE1 GLU A 85 -1.459 14.368 8.383 1.00 1.88 O ATOM 504 OE2 GLU A 85 -2.353 13.260 6.726 1.00 2.27 O ATOM 0 H GLU A 85 2.813 11.949 5.909 1.00 0.39 H new ATOM 0 HA GLU A 85 -0.021 11.942 6.770 1.00 0.44 H new ATOM 0 HB2 GLU A 85 1.299 14.024 7.351 1.00 0.61 H new ATOM 0 HB3 GLU A 85 1.585 14.264 5.639 1.00 0.61 H new ATOM 0 HG2 GLU A 85 -0.285 15.639 6.455 1.00 1.15 H new ATOM 0 HG3 GLU A 85 -0.801 14.512 5.216 1.00 1.15 H new ATOM 511 N LEU A 86 -0.736 11.366 4.502 1.00 0.41 N ATOM 512 CA LEU A 86 -1.222 11.045 3.170 1.00 0.43 C ATOM 513 C LEU A 86 -2.059 12.187 2.642 1.00 0.44 C ATOM 514 O LEU A 86 -2.992 12.647 3.302 1.00 0.48 O ATOM 515 CB LEU A 86 -2.035 9.754 3.200 1.00 0.52 C ATOM 516 CG LEU A 86 -2.387 9.144 1.837 1.00 0.59 C ATOM 517 CD1 LEU A 86 -2.672 7.664 1.992 1.00 0.79 C ATOM 518 CD2 LEU A 86 -3.594 9.833 1.216 1.00 0.70 C ATOM 0 H LEU A 86 -1.325 11.023 5.261 1.00 0.41 H new ATOM 0 HA LEU A 86 -0.370 10.897 2.506 1.00 0.43 H new ATOM 0 HB2 LEU A 86 -1.480 9.012 3.774 1.00 0.52 H new ATOM 0 HB3 LEU A 86 -2.963 9.946 3.740 1.00 0.52 H new ATOM 0 HG LEU A 86 -1.533 9.288 1.175 1.00 0.59 H new ATOM 0 HD11 LEU A 86 -2.921 7.238 1.020 1.00 0.79 H new ATOM 0 HD12 LEU A 86 -1.790 7.164 2.392 1.00 0.79 H new ATOM 0 HD13 LEU A 86 -3.510 7.524 2.675 1.00 0.79 H new ATOM 0 HD21 LEU A 86 -3.817 9.377 0.251 1.00 0.70 H new ATOM 0 HD22 LEU A 86 -4.455 9.724 1.876 1.00 0.70 H new ATOM 0 HD23 LEU A 86 -3.376 10.892 1.075 1.00 0.70 H new ATOM 530 N ARG A 87 -1.724 12.630 1.450 1.00 0.47 N ATOM 531 CA ARG A 87 -2.375 13.775 0.841 1.00 0.55 C ATOM 532 C ARG A 87 -2.343 13.637 -0.673 1.00 0.61 C ATOM 533 O ARG A 87 -1.288 13.357 -1.247 1.00 0.66 O ATOM 534 CB ARG A 87 -1.651 15.064 1.238 1.00 0.62 C ATOM 535 CG ARG A 87 -1.715 15.405 2.719 1.00 0.69 C ATOM 536 CD ARG A 87 -1.058 16.744 3.017 1.00 1.04 C ATOM 537 NE ARG A 87 0.279 16.848 2.426 1.00 1.63 N ATOM 538 CZ ARG A 87 1.222 17.701 2.835 1.00 2.32 C ATOM 539 NH1 ARG A 87 1.006 18.490 3.879 1.00 2.62 N ATOM 540 NH2 ARG A 87 2.385 17.758 2.191 1.00 3.21 N ATOM 0 H ARG A 87 -0.994 12.209 0.875 1.00 0.47 H new ATOM 0 HA ARG A 87 -3.408 13.816 1.188 1.00 0.55 H new ATOM 0 HB2 ARG A 87 -0.605 14.981 0.944 1.00 0.62 H new ATOM 0 HB3 ARG A 87 -2.077 15.892 0.671 1.00 0.62 H new ATOM 0 HG2 ARG A 87 -2.756 15.430 3.042 1.00 0.69 H new ATOM 0 HG3 ARG A 87 -1.222 14.622 3.294 1.00 0.69 H new ATOM 0 HD2 ARG A 87 -1.686 17.548 2.634 1.00 1.04 H new ATOM 0 HD3 ARG A 87 -0.988 16.880 4.096 1.00 1.04 H new ATOM 0 HE ARG A 87 0.505 16.227 1.649 1.00 1.63 H new ATOM 0 HH11 ARG A 87 0.116 18.448 4.375 1.00 2.62 H new ATOM 0 HH12 ARG A 87 1.730 19.139 4.186 1.00 2.62 H new ATOM 0 HH21 ARG A 87 2.554 17.152 1.388 1.00 3.21 H new ATOM 0 HH22 ARG A 87 3.108 18.408 2.500 1.00 3.21 H new ATOM 554 N GLU A 88 -3.487 13.819 -1.317 1.00 0.73 N ATOM 555 CA GLU A 88 -3.532 13.829 -2.770 1.00 0.84 C ATOM 556 C GLU A 88 -2.813 15.067 -3.289 1.00 0.87 C ATOM 557 O GLU A 88 -3.272 16.192 -3.079 1.00 0.98 O ATOM 558 CB GLU A 88 -4.980 13.826 -3.270 1.00 1.06 C ATOM 559 CG GLU A 88 -5.751 12.556 -2.948 1.00 1.61 C ATOM 560 CD GLU A 88 -5.232 11.343 -3.696 1.00 1.96 C ATOM 561 OE1 GLU A 88 -4.833 10.360 -3.037 1.00 2.46 O ATOM 562 OE2 GLU A 88 -5.236 11.362 -4.942 1.00 2.21 O ATOM 0 H GLU A 88 -4.388 13.960 -0.860 1.00 0.73 H new ATOM 0 HA GLU A 88 -3.038 12.931 -3.141 1.00 0.84 H new ATOM 0 HB2 GLU A 88 -5.504 14.676 -2.833 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -4.979 13.973 -4.350 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -5.696 12.366 -1.876 1.00 1.61 H new ATOM 0 HG3 GLU A 88 -6.803 12.704 -3.192 1.00 1.61 H new ATOM 569 N SER A 89 -1.680 14.856 -3.940 1.00 0.85 N ATOM 570 CA SER A 89 -0.895 15.949 -4.492 1.00 0.95 C ATOM 571 C SER A 89 0.193 15.386 -5.391 1.00 0.90 C ATOM 572 O SER A 89 1.131 14.742 -4.921 1.00 1.11 O ATOM 573 CB SER A 89 -0.278 16.788 -3.365 1.00 1.03 C ATOM 574 OG SER A 89 0.400 17.928 -3.872 1.00 1.58 O ATOM 0 H SER A 89 -1.281 13.931 -4.100 1.00 0.85 H new ATOM 0 HA SER A 89 -1.546 16.596 -5.080 1.00 0.95 H new ATOM 0 HB2 SER A 89 -1.061 17.106 -2.677 1.00 1.03 H new ATOM 0 HB3 SER A 89 0.418 16.174 -2.793 1.00 1.03 H new ATOM 0 HG SER A 89 0.779 18.441 -3.128 1.00 1.58 H new ATOM 580 N SER A 90 0.057 15.614 -6.683 1.00 0.86 N ATOM 581 CA SER A 90 0.968 15.038 -7.649 1.00 0.88 C ATOM 582 C SER A 90 2.141 15.977 -7.912 1.00 0.87 C ATOM 583 O SER A 90 1.984 17.027 -8.539 1.00 1.02 O ATOM 584 CB SER A 90 0.222 14.733 -8.949 1.00 1.13 C ATOM 585 OG SER A 90 0.944 13.822 -9.759 1.00 1.86 O ATOM 0 H SER A 90 -0.677 16.195 -7.087 1.00 0.86 H new ATOM 0 HA SER A 90 1.366 14.108 -7.243 1.00 0.88 H new ATOM 0 HB2 SER A 90 -0.759 14.318 -8.718 1.00 1.13 H new ATOM 0 HB3 SER A 90 0.055 15.659 -9.500 1.00 1.13 H new ATOM 0 HG SER A 90 0.441 13.646 -10.581 1.00 1.86 H new ATOM 591 N ILE A 91 3.307 15.606 -7.408 1.00 0.86 N ATOM 592 CA ILE A 91 4.526 16.354 -7.675 1.00 1.01 C ATOM 593 C ILE A 91 5.050 15.990 -9.067 1.00 1.09 C ATOM 594 O ILE A 91 5.286 14.815 -9.362 1.00 1.08 O ATOM 595 CB ILE A 91 5.594 16.107 -6.568 1.00 1.10 C ATOM 596 CG1 ILE A 91 6.940 16.780 -6.900 1.00 1.35 C ATOM 597 CG2 ILE A 91 5.781 14.620 -6.312 1.00 1.07 C ATOM 598 CD1 ILE A 91 7.888 15.938 -7.735 1.00 1.45 C ATOM 0 H ILE A 91 3.436 14.790 -6.810 1.00 0.86 H new ATOM 0 HA ILE A 91 4.303 17.421 -7.657 1.00 1.01 H new ATOM 0 HB ILE A 91 5.219 16.569 -5.654 1.00 1.10 H new ATOM 0 HG12 ILE A 91 6.743 17.712 -7.430 1.00 1.35 H new ATOM 0 HG13 ILE A 91 7.438 17.043 -5.967 1.00 1.35 H new ATOM 0 HG21 ILE A 91 6.532 14.476 -5.535 1.00 1.07 H new ATOM 0 HG22 ILE A 91 4.836 14.185 -5.988 1.00 1.07 H new ATOM 0 HG23 ILE A 91 6.110 14.131 -7.229 1.00 1.07 H new ATOM 0 HD11 ILE A 91 8.807 16.496 -7.916 1.00 1.45 H new ATOM 0 HD12 ILE A 91 8.122 15.017 -7.201 1.00 1.45 H new ATOM 0 HD13 ILE A 91 7.417 15.696 -8.687 1.00 1.45 H new ATOM 610 N PRO A 92 5.196 16.998 -9.950 1.00 1.24 N ATOM 611 CA PRO A 92 5.625 16.798 -11.342 1.00 1.37 C ATOM 612 C PRO A 92 6.901 15.971 -11.459 1.00 1.47 C ATOM 613 O PRO A 92 7.973 16.392 -11.018 1.00 1.61 O ATOM 614 CB PRO A 92 5.870 18.221 -11.847 1.00 1.58 C ATOM 615 CG PRO A 92 4.986 19.075 -11.012 1.00 1.59 C ATOM 616 CD PRO A 92 4.944 18.423 -9.659 1.00 1.37 C ATOM 0 HA PRO A 92 4.880 16.244 -11.913 1.00 1.37 H new ATOM 0 HB2 PRO A 92 6.916 18.506 -11.736 1.00 1.58 H new ATOM 0 HB3 PRO A 92 5.625 18.313 -12.905 1.00 1.58 H new ATOM 0 HG2 PRO A 92 5.375 20.091 -10.944 1.00 1.59 H new ATOM 0 HG3 PRO A 92 3.988 19.144 -11.444 1.00 1.59 H new ATOM 0 HD2 PRO A 92 5.701 18.836 -8.992 1.00 1.37 H new ATOM 0 HD3 PRO A 92 3.979 18.568 -9.174 1.00 1.37 H new ATOM 624 N GLY A 93 6.777 14.796 -12.055 1.00 1.47 N ATOM 625 CA GLY A 93 7.923 13.934 -12.246 1.00 1.62 C ATOM 626 C GLY A 93 7.899 12.718 -11.340 1.00 1.58 C ATOM 627 O GLY A 93 8.706 11.804 -11.506 1.00 1.74 O ATOM 0 H GLY A 93 5.898 14.422 -12.412 1.00 1.47 H new ATOM 0 HA2 GLY A 93 7.957 13.607 -13.285 1.00 1.62 H new ATOM 0 HA3 GLY A 93 8.835 14.502 -12.061 1.00 1.62 H new ATOM 631 N ALA A 94 6.982 12.700 -10.381 1.00 1.40 N ATOM 632 CA ALA A 94 6.868 11.563 -9.478 1.00 1.40 C ATOM 633 C ALA A 94 5.412 11.152 -9.270 1.00 1.27 C ATOM 634 O ALA A 94 5.033 10.021 -9.567 1.00 1.38 O ATOM 635 CB ALA A 94 7.532 11.870 -8.148 1.00 1.41 C ATOM 0 H ALA A 94 6.313 13.451 -10.210 1.00 1.40 H new ATOM 0 HA ALA A 94 7.384 10.722 -9.941 1.00 1.40 H new ATOM 0 HB1 ALA A 94 7.437 11.009 -7.486 1.00 1.41 H new ATOM 0 HB2 ALA A 94 8.588 12.088 -8.310 1.00 1.41 H new ATOM 0 HB3 ALA A 94 7.049 12.734 -7.691 1.00 1.41 H new ATOM 641 N GLY A 95 4.604 12.064 -8.749 1.00 1.09 N ATOM 642 CA GLY A 95 3.193 11.781 -8.560 1.00 1.02 C ATOM 643 C GLY A 95 2.750 11.946 -7.117 1.00 0.91 C ATOM 644 O GLY A 95 3.264 12.806 -6.405 1.00 1.02 O ATOM 0 H GLY A 95 4.898 12.995 -8.453 1.00 1.09 H new ATOM 0 HA2 GLY A 95 2.605 12.445 -9.194 1.00 1.02 H new ATOM 0 HA3 GLY A 95 2.984 10.762 -8.886 1.00 1.02 H new ATOM 648 N LEU A 96 1.799 11.119 -6.687 1.00 0.79 N ATOM 649 CA LEU A 96 1.274 11.178 -5.321 1.00 0.70 C ATOM 650 C LEU A 96 2.217 10.465 -4.363 1.00 0.65 C ATOM 651 O LEU A 96 3.028 9.654 -4.792 1.00 0.99 O ATOM 652 CB LEU A 96 -0.106 10.519 -5.248 1.00 0.77 C ATOM 653 CG LEU A 96 -1.066 10.903 -6.365 1.00 1.35 C ATOM 654 CD1 LEU A 96 -2.302 10.022 -6.331 1.00 2.05 C ATOM 655 CD2 LEU A 96 -1.448 12.361 -6.238 1.00 2.31 C ATOM 0 H LEU A 96 1.373 10.396 -7.267 1.00 0.79 H new ATOM 0 HA LEU A 96 1.188 12.227 -5.036 1.00 0.70 H new ATOM 0 HB2 LEU A 96 0.025 9.437 -5.258 1.00 0.77 H new ATOM 0 HB3 LEU A 96 -0.564 10.776 -4.293 1.00 0.77 H new ATOM 0 HG LEU A 96 -0.569 10.753 -7.323 1.00 1.35 H new ATOM 0 HD11 LEU A 96 -2.977 10.311 -7.137 1.00 2.05 H new ATOM 0 HD12 LEU A 96 -2.010 8.980 -6.459 1.00 2.05 H new ATOM 0 HD13 LEU A 96 -2.808 10.142 -5.373 1.00 2.05 H new ATOM 0 HD21 LEU A 96 -2.135 12.628 -7.041 1.00 2.31 H new ATOM 0 HD22 LEU A 96 -1.932 12.528 -5.276 1.00 2.31 H new ATOM 0 HD23 LEU A 96 -0.553 12.979 -6.306 1.00 2.31 H new ATOM 667 N GLY A 97 2.122 10.785 -3.083 1.00 0.59 N ATOM 668 CA GLY A 97 2.953 10.132 -2.091 1.00 0.57 C ATOM 669 C GLY A 97 2.443 10.371 -0.686 1.00 0.52 C ATOM 670 O GLY A 97 1.543 11.189 -0.485 1.00 0.55 O ATOM 0 H GLY A 97 1.483 11.487 -2.711 1.00 0.59 H new ATOM 0 HA2 GLY A 97 2.983 9.061 -2.290 1.00 0.57 H new ATOM 0 HA3 GLY A 97 3.976 10.500 -2.174 1.00 0.57 H new ATOM 674 N VAL A 98 2.987 9.645 0.284 1.00 0.48 N ATOM 675 CA VAL A 98 2.675 9.914 1.677 1.00 0.46 C ATOM 676 C VAL A 98 3.783 10.758 2.285 1.00 0.47 C ATOM 677 O VAL A 98 4.927 10.326 2.419 1.00 0.67 O ATOM 678 CB VAL A 98 2.434 8.632 2.513 1.00 0.47 C ATOM 679 CG1 VAL A 98 1.204 7.899 2.000 1.00 0.49 C ATOM 680 CG2 VAL A 98 3.646 7.709 2.508 1.00 0.53 C ATOM 0 H VAL A 98 3.638 8.875 0.132 1.00 0.48 H new ATOM 0 HA VAL A 98 1.732 10.461 1.700 1.00 0.46 H new ATOM 0 HB VAL A 98 2.267 8.938 3.546 1.00 0.47 H new ATOM 0 HG11 VAL A 98 1.043 6.999 2.594 1.00 0.49 H new ATOM 0 HG12 VAL A 98 0.333 8.549 2.082 1.00 0.49 H new ATOM 0 HG13 VAL A 98 1.354 7.623 0.956 1.00 0.49 H new ATOM 0 HG21 VAL A 98 3.432 6.824 3.106 1.00 0.53 H new ATOM 0 HG22 VAL A 98 3.871 7.409 1.484 1.00 0.53 H new ATOM 0 HG23 VAL A 98 4.504 8.233 2.930 1.00 0.53 H new ATOM 690 N TRP A 99 3.430 11.971 2.644 1.00 0.38 N ATOM 691 CA TRP A 99 4.402 12.983 2.995 1.00 0.39 C ATOM 692 C TRP A 99 4.858 12.812 4.433 1.00 0.35 C ATOM 693 O TRP A 99 4.144 13.163 5.372 1.00 0.38 O ATOM 694 CB TRP A 99 3.791 14.370 2.782 1.00 0.44 C ATOM 695 CG TRP A 99 3.150 14.516 1.431 1.00 0.50 C ATOM 696 CD1 TRP A 99 1.878 14.157 1.087 1.00 0.66 C ATOM 697 CD2 TRP A 99 3.750 15.047 0.247 1.00 0.62 C ATOM 698 NE1 TRP A 99 1.653 14.427 -0.240 1.00 0.69 N ATOM 699 CE2 TRP A 99 2.789 14.976 -0.779 1.00 0.66 C ATOM 700 CE3 TRP A 99 5.009 15.576 -0.046 1.00 0.88 C ATOM 701 CZ2 TRP A 99 3.050 15.410 -2.075 1.00 0.82 C ATOM 702 CZ3 TRP A 99 5.265 16.007 -1.332 1.00 1.13 C ATOM 703 CH2 TRP A 99 4.292 15.924 -2.333 1.00 1.06 C ATOM 0 H TRP A 99 2.461 12.285 2.701 1.00 0.38 H new ATOM 0 HA TRP A 99 5.277 12.876 2.353 1.00 0.39 H new ATOM 0 HB2 TRP A 99 3.047 14.558 3.556 1.00 0.44 H new ATOM 0 HB3 TRP A 99 4.567 15.127 2.896 1.00 0.44 H new ATOM 0 HD1 TRP A 99 1.154 13.724 1.761 1.00 0.66 H new ATOM 0 HE1 TRP A 99 0.784 14.249 -0.743 1.00 0.69 H new ATOM 0 HE3 TRP A 99 5.768 15.646 0.719 1.00 0.88 H new ATOM 0 HZ2 TRP A 99 2.300 15.344 -2.849 1.00 0.82 H new ATOM 0 HZ3 TRP A 99 6.236 16.416 -1.570 1.00 1.13 H new ATOM 0 HH2 TRP A 99 4.525 16.272 -3.328 1.00 1.06 H new ATOM 714 N ALA A 100 6.039 12.236 4.597 1.00 0.39 N ATOM 715 CA ALA A 100 6.638 12.099 5.908 1.00 0.42 C ATOM 716 C ALA A 100 6.960 13.473 6.470 1.00 0.43 C ATOM 717 O ALA A 100 7.788 14.199 5.920 1.00 0.49 O ATOM 718 CB ALA A 100 7.893 11.244 5.830 1.00 0.54 C ATOM 0 H ALA A 100 6.600 11.856 3.834 1.00 0.39 H new ATOM 0 HA ALA A 100 5.931 11.604 6.573 1.00 0.42 H new ATOM 0 HB1 ALA A 100 8.332 11.150 6.823 1.00 0.54 H new ATOM 0 HB2 ALA A 100 7.636 10.254 5.452 1.00 0.54 H new ATOM 0 HB3 ALA A 100 8.612 11.714 5.159 1.00 0.54 H new ATOM 724 N LYS A 101 6.292 13.828 7.555 1.00 0.47 N ATOM 725 CA LYS A 101 6.457 15.134 8.166 1.00 0.57 C ATOM 726 C LYS A 101 7.502 15.051 9.268 1.00 0.56 C ATOM 727 O LYS A 101 7.611 15.932 10.122 1.00 0.63 O ATOM 728 CB LYS A 101 5.111 15.625 8.715 1.00 0.69 C ATOM 729 CG LYS A 101 3.933 14.734 8.329 1.00 1.17 C ATOM 730 CD LYS A 101 3.824 13.544 9.270 1.00 0.84 C ATOM 731 CE LYS A 101 3.218 13.967 10.574 1.00 0.88 C ATOM 732 NZ LYS A 101 3.377 12.953 11.640 1.00 1.68 N ATOM 0 H LYS A 101 5.625 13.223 8.033 1.00 0.47 H new ATOM 0 HA LYS A 101 6.800 15.850 7.419 1.00 0.57 H new ATOM 0 HB2 LYS A 101 5.171 15.684 9.802 1.00 0.69 H new ATOM 0 HB3 LYS A 101 4.926 16.636 8.351 1.00 0.69 H new ATOM 0 HG2 LYS A 101 3.009 15.312 8.358 1.00 1.17 H new ATOM 0 HG3 LYS A 101 4.057 14.383 7.305 1.00 1.17 H new ATOM 0 HD2 LYS A 101 3.214 12.765 8.813 1.00 0.84 H new ATOM 0 HD3 LYS A 101 4.811 13.116 9.442 1.00 0.84 H new ATOM 0 HE2 LYS A 101 3.678 14.901 10.897 1.00 0.88 H new ATOM 0 HE3 LYS A 101 2.157 14.169 10.427 1.00 0.88 H new ATOM 0 HZ1 LYS A 101 2.895 13.278 12.503 1.00 1.68 H new ATOM 0 HZ2 LYS A 101 2.959 12.053 11.328 1.00 1.68 H new ATOM 0 HZ3 LYS A 101 4.388 12.815 11.839 1.00 1.68 H new ATOM 746 N ARG A 102 8.256 13.965 9.230 1.00 0.54 N ATOM 747 CA ARG A 102 9.339 13.721 10.160 1.00 0.58 C ATOM 748 C ARG A 102 10.415 12.917 9.436 1.00 0.54 C ATOM 749 O ARG A 102 10.138 12.309 8.400 1.00 0.54 O ATOM 750 CB ARG A 102 8.820 12.968 11.391 1.00 0.72 C ATOM 751 CG ARG A 102 9.865 12.759 12.473 1.00 0.83 C ATOM 752 CD ARG A 102 9.261 12.159 13.729 1.00 1.16 C ATOM 753 NE ARG A 102 8.345 13.090 14.392 1.00 1.80 N ATOM 754 CZ ARG A 102 7.565 12.770 15.424 1.00 2.52 C ATOM 755 NH1 ARG A 102 7.551 11.528 15.891 1.00 2.75 N ATOM 756 NH2 ARG A 102 6.793 13.691 15.983 1.00 3.50 N ATOM 0 H ARG A 102 8.130 13.221 8.544 1.00 0.54 H new ATOM 0 HA ARG A 102 9.762 14.663 10.508 1.00 0.58 H new ATOM 0 HB2 ARG A 102 7.980 13.519 11.813 1.00 0.72 H new ATOM 0 HB3 ARG A 102 8.439 11.997 11.076 1.00 0.72 H new ATOM 0 HG2 ARG A 102 10.651 12.103 12.098 1.00 0.83 H new ATOM 0 HG3 ARG A 102 10.334 13.713 12.715 1.00 0.83 H new ATOM 0 HD2 ARG A 102 8.727 11.244 13.474 1.00 1.16 H new ATOM 0 HD3 ARG A 102 10.058 11.881 14.418 1.00 1.16 H new ATOM 0 HE ARG A 102 8.301 14.047 14.041 1.00 1.80 H new ATOM 0 HH11 ARG A 102 8.139 10.814 15.460 1.00 2.75 H new ATOM 0 HH12 ARG A 102 6.953 11.287 16.681 1.00 2.75 H new ATOM 0 HH21 ARG A 102 6.796 14.645 15.623 1.00 3.50 H new ATOM 0 HH22 ARG A 102 6.196 13.445 16.773 1.00 3.50 H new ATOM 770 N LYS A 103 11.630 12.924 9.965 1.00 0.59 N ATOM 771 CA LYS A 103 12.755 12.284 9.297 1.00 0.63 C ATOM 772 C LYS A 103 12.620 10.764 9.309 1.00 0.68 C ATOM 773 O LYS A 103 11.893 10.190 10.121 1.00 0.82 O ATOM 774 CB LYS A 103 14.087 12.697 9.954 1.00 0.73 C ATOM 775 CG LYS A 103 14.537 11.802 11.109 1.00 0.98 C ATOM 776 CD LYS A 103 13.513 11.760 12.229 1.00 1.17 C ATOM 777 CE LYS A 103 13.860 10.710 13.275 1.00 2.05 C ATOM 778 NZ LYS A 103 15.205 10.926 13.873 1.00 2.40 N ATOM 0 H LYS A 103 11.862 13.366 10.855 1.00 0.59 H new ATOM 0 HA LYS A 103 12.751 12.619 8.260 1.00 0.63 H new ATOM 0 HB2 LYS A 103 14.866 12.701 9.192 1.00 0.73 H new ATOM 0 HB3 LYS A 103 13.994 13.719 10.320 1.00 0.73 H new ATOM 0 HG2 LYS A 103 14.710 10.792 10.738 1.00 0.98 H new ATOM 0 HG3 LYS A 103 15.487 12.165 11.500 1.00 0.98 H new ATOM 0 HD2 LYS A 103 13.453 12.739 12.703 1.00 1.17 H new ATOM 0 HD3 LYS A 103 12.528 11.547 11.813 1.00 1.17 H new ATOM 0 HE2 LYS A 103 13.108 10.725 14.064 1.00 2.05 H new ATOM 0 HE3 LYS A 103 13.823 9.721 12.819 1.00 2.05 H new ATOM 0 HZ1 LYS A 103 15.145 10.831 14.907 1.00 2.40 H new ATOM 0 HZ2 LYS A 103 15.869 10.218 13.499 1.00 2.40 H new ATOM 0 HZ3 LYS A 103 15.543 11.880 13.632 1.00 2.40 H new ATOM 792 N MET A 104 13.316 10.129 8.390 1.00 0.73 N ATOM 793 CA MET A 104 13.462 8.684 8.375 1.00 0.83 C ATOM 794 C MET A 104 14.921 8.364 8.122 1.00 0.87 C ATOM 795 O MET A 104 15.580 9.085 7.383 1.00 0.93 O ATOM 796 CB MET A 104 12.581 8.053 7.298 1.00 0.85 C ATOM 797 CG MET A 104 11.095 8.114 7.610 1.00 0.97 C ATOM 798 SD MET A 104 10.079 7.631 6.205 1.00 1.22 S ATOM 799 CE MET A 104 10.497 8.944 5.071 1.00 0.92 C ATOM 0 H MET A 104 13.800 10.601 7.627 1.00 0.73 H new ATOM 0 HA MET A 104 13.144 8.272 9.333 1.00 0.83 H new ATOM 0 HB2 MET A 104 12.765 8.557 6.349 1.00 0.85 H new ATOM 0 HB3 MET A 104 12.873 7.011 7.167 1.00 0.85 H new ATOM 0 HG2 MET A 104 10.877 7.460 8.455 1.00 0.97 H new ATOM 0 HG3 MET A 104 10.832 9.127 7.914 1.00 0.97 H new ATOM 0 HE1 MET A 104 9.585 9.359 4.642 1.00 0.92 H new ATOM 0 HE2 MET A 104 11.036 9.727 5.604 1.00 0.92 H new ATOM 0 HE3 MET A 104 11.126 8.549 4.273 1.00 0.92 H new ATOM 809 N GLU A 105 15.431 7.318 8.744 1.00 0.90 N ATOM 810 CA GLU A 105 16.858 7.033 8.688 1.00 0.93 C ATOM 811 C GLU A 105 17.141 5.581 8.307 1.00 0.89 C ATOM 812 O GLU A 105 16.225 4.772 8.170 1.00 1.13 O ATOM 813 CB GLU A 105 17.508 7.386 10.026 1.00 1.08 C ATOM 814 CG GLU A 105 17.387 8.863 10.364 1.00 1.64 C ATOM 815 CD GLU A 105 17.959 9.216 11.721 1.00 1.94 C ATOM 816 OE1 GLU A 105 17.276 9.917 12.500 1.00 2.25 O ATOM 817 OE2 GLU A 105 19.086 8.779 12.027 1.00 2.31 O ATOM 0 H GLU A 105 14.885 6.653 9.292 1.00 0.90 H new ATOM 0 HA GLU A 105 17.294 7.652 7.904 1.00 0.93 H new ATOM 0 HB2 GLU A 105 17.044 6.797 10.817 1.00 1.08 H new ATOM 0 HB3 GLU A 105 18.562 7.109 9.998 1.00 1.08 H new ATOM 0 HG2 GLU A 105 17.899 9.447 9.599 1.00 1.64 H new ATOM 0 HG3 GLU A 105 16.336 9.150 10.335 1.00 1.64 H new ATOM 824 N ALA A 106 18.421 5.277 8.124 1.00 0.78 N ATOM 825 CA ALA A 106 18.865 3.965 7.658 1.00 0.78 C ATOM 826 C ALA A 106 18.363 2.819 8.532 1.00 0.76 C ATOM 827 O ALA A 106 18.617 2.785 9.739 1.00 0.78 O ATOM 828 CB ALA A 106 20.384 3.927 7.600 1.00 0.84 C ATOM 0 H ALA A 106 19.183 5.933 8.294 1.00 0.78 H new ATOM 0 HA ALA A 106 18.439 3.823 6.665 1.00 0.78 H new ATOM 0 HB1 ALA A 106 20.710 2.947 7.252 1.00 0.84 H new ATOM 0 HB2 ALA A 106 20.741 4.694 6.912 1.00 0.84 H new ATOM 0 HB3 ALA A 106 20.791 4.113 8.594 1.00 0.84 H new ATOM 834 N GLY A 107 17.648 1.885 7.915 1.00 0.83 N ATOM 835 CA GLY A 107 17.320 0.640 8.584 1.00 0.91 C ATOM 836 C GLY A 107 15.843 0.468 8.872 1.00 0.87 C ATOM 837 O GLY A 107 15.357 -0.662 8.981 1.00 1.04 O ATOM 0 H GLY A 107 17.290 1.968 6.964 1.00 0.83 H new ATOM 0 HA2 GLY A 107 17.659 -0.192 7.968 1.00 0.91 H new ATOM 0 HA3 GLY A 107 17.872 0.587 9.523 1.00 0.91 H new ATOM 841 N GLU A 108 15.123 1.572 8.990 1.00 0.71 N ATOM 842 CA GLU A 108 13.723 1.510 9.386 1.00 0.74 C ATOM 843 C GLU A 108 12.835 1.000 8.262 1.00 0.61 C ATOM 844 O GLU A 108 13.215 1.011 7.087 1.00 0.61 O ATOM 845 CB GLU A 108 13.226 2.867 9.866 1.00 0.87 C ATOM 846 CG GLU A 108 13.387 3.995 8.863 1.00 0.85 C ATOM 847 CD GLU A 108 12.776 5.273 9.377 1.00 1.78 C ATOM 848 OE1 GLU A 108 11.574 5.489 9.156 1.00 2.62 O ATOM 849 OE2 GLU A 108 13.494 6.055 10.036 1.00 2.13 O ATOM 0 H GLU A 108 15.479 2.513 8.820 1.00 0.71 H new ATOM 0 HA GLU A 108 13.663 0.801 10.211 1.00 0.74 H new ATOM 0 HB2 GLU A 108 12.171 2.780 10.128 1.00 0.87 H new ATOM 0 HB3 GLU A 108 13.760 3.132 10.778 1.00 0.87 H new ATOM 0 HG2 GLU A 108 14.445 4.153 8.656 1.00 0.85 H new ATOM 0 HG3 GLU A 108 12.916 3.717 7.920 1.00 0.85 H new ATOM 856 N ARG A 109 11.652 0.546 8.645 1.00 0.63 N ATOM 857 CA ARG A 109 10.690 0.013 7.704 1.00 0.56 C ATOM 858 C ARG A 109 9.365 0.741 7.830 1.00 0.46 C ATOM 859 O ARG A 109 8.871 0.962 8.938 1.00 0.55 O ATOM 860 CB ARG A 109 10.461 -1.472 7.965 1.00 0.73 C ATOM 861 CG ARG A 109 9.540 -2.139 6.960 1.00 0.80 C ATOM 862 CD ARG A 109 8.554 -3.057 7.649 1.00 1.22 C ATOM 863 NE ARG A 109 8.047 -4.098 6.755 1.00 2.02 N ATOM 864 CZ ARG A 109 7.995 -5.389 7.088 1.00 2.71 C ATOM 865 NH1 ARG A 109 8.327 -5.771 8.313 1.00 2.91 N ATOM 866 NH2 ARG A 109 7.598 -6.298 6.204 1.00 3.62 N ATOM 0 H ARG A 109 11.336 0.538 9.615 1.00 0.63 H new ATOM 0 HA ARG A 109 11.089 0.153 6.699 1.00 0.56 H new ATOM 0 HB2 ARG A 109 11.423 -1.985 7.957 1.00 0.73 H new ATOM 0 HB3 ARG A 109 10.042 -1.595 8.964 1.00 0.73 H new ATOM 0 HG2 ARG A 109 9.000 -1.378 6.396 1.00 0.80 H new ATOM 0 HG3 ARG A 109 10.131 -2.708 6.242 1.00 0.80 H new ATOM 0 HD2 ARG A 109 9.034 -3.523 8.510 1.00 1.22 H new ATOM 0 HD3 ARG A 109 7.719 -2.469 8.030 1.00 1.22 H new ATOM 0 HE ARG A 109 7.716 -3.823 5.830 1.00 2.02 H new ATOM 0 HH11 ARG A 109 8.622 -5.078 9.001 1.00 2.91 H new ATOM 0 HH12 ARG A 109 8.287 -6.758 8.568 1.00 2.91 H new ATOM 0 HH21 ARG A 109 7.330 -6.011 5.263 1.00 3.62 H new ATOM 0 HH22 ARG A 109 7.561 -7.283 6.467 1.00 3.62 H new ATOM 880 N LEU A 110 8.788 1.106 6.702 1.00 0.38 N ATOM 881 CA LEU A 110 7.462 1.689 6.703 1.00 0.39 C ATOM 882 C LEU A 110 6.431 0.573 6.628 1.00 0.49 C ATOM 883 O LEU A 110 6.573 -0.361 5.830 1.00 0.53 O ATOM 884 CB LEU A 110 7.256 2.653 5.530 1.00 0.35 C ATOM 885 CG LEU A 110 8.301 3.763 5.352 1.00 0.35 C ATOM 886 CD1 LEU A 110 7.655 4.966 4.678 1.00 0.39 C ATOM 887 CD2 LEU A 110 8.938 4.171 6.679 1.00 0.41 C ATOM 0 H LEU A 110 9.213 1.010 5.780 1.00 0.38 H new ATOM 0 HA LEU A 110 7.346 2.261 7.623 1.00 0.39 H new ATOM 0 HB2 LEU A 110 7.223 2.067 4.611 1.00 0.35 H new ATOM 0 HB3 LEU A 110 6.279 3.122 5.644 1.00 0.35 H new ATOM 0 HG LEU A 110 9.101 3.375 4.722 1.00 0.35 H new ATOM 0 HD11 LEU A 110 8.397 5.754 4.552 1.00 0.39 H new ATOM 0 HD12 LEU A 110 7.268 4.672 3.702 1.00 0.39 H new ATOM 0 HD13 LEU A 110 6.837 5.334 5.297 1.00 0.39 H new ATOM 0 HD21 LEU A 110 9.671 4.959 6.504 1.00 0.41 H new ATOM 0 HD22 LEU A 110 8.166 4.537 7.356 1.00 0.41 H new ATOM 0 HD23 LEU A 110 9.432 3.308 7.126 1.00 0.41 H new ATOM 899 N GLY A 111 5.416 0.651 7.469 1.00 0.61 N ATOM 900 CA GLY A 111 4.374 -0.348 7.454 1.00 0.77 C ATOM 901 C GLY A 111 3.884 -0.693 8.845 1.00 0.88 C ATOM 902 O GLY A 111 3.627 0.207 9.644 1.00 1.02 O ATOM 0 H GLY A 111 5.295 1.389 8.163 1.00 0.61 H new ATOM 0 HA2 GLY A 111 3.537 0.013 6.856 1.00 0.77 H new ATOM 0 HA3 GLY A 111 4.747 -1.250 6.969 1.00 0.77 H new ATOM 906 N PRO A 112 3.753 -1.993 9.178 1.00 1.23 N ATOM 907 CA PRO A 112 4.083 -3.111 8.276 1.00 1.24 C ATOM 908 C PRO A 112 3.195 -3.154 7.034 1.00 1.05 C ATOM 909 O PRO A 112 1.977 -3.011 7.117 1.00 1.19 O ATOM 910 CB PRO A 112 3.844 -4.356 9.138 1.00 1.78 C ATOM 911 CG PRO A 112 2.918 -3.908 10.212 1.00 2.10 C ATOM 912 CD PRO A 112 3.267 -2.474 10.482 1.00 1.83 C ATOM 0 HA PRO A 112 5.100 -3.024 7.894 1.00 1.24 H new ATOM 0 HB2 PRO A 112 3.407 -5.164 8.552 1.00 1.78 H new ATOM 0 HB3 PRO A 112 4.778 -4.733 9.554 1.00 1.78 H new ATOM 0 HG2 PRO A 112 1.879 -4.005 9.898 1.00 2.10 H new ATOM 0 HG3 PRO A 112 3.037 -4.515 11.109 1.00 2.10 H new ATOM 0 HD2 PRO A 112 2.401 -1.906 10.823 1.00 1.83 H new ATOM 0 HD3 PRO A 112 4.031 -2.384 11.254 1.00 1.83 H new ATOM 920 N CYS A 113 3.831 -3.351 5.882 1.00 1.00 N ATOM 921 CA CYS A 113 3.142 -3.320 4.597 1.00 1.00 C ATOM 922 C CYS A 113 2.226 -4.523 4.422 1.00 1.17 C ATOM 923 O CYS A 113 1.228 -4.448 3.704 1.00 1.67 O ATOM 924 CB CYS A 113 4.161 -3.284 3.457 1.00 1.05 C ATOM 925 SG CYS A 113 3.418 -3.235 1.810 1.00 2.00 S ATOM 0 H CYS A 113 4.832 -3.535 5.814 1.00 1.00 H new ATOM 0 HA CYS A 113 2.528 -2.419 4.573 1.00 1.00 H new ATOM 0 HB2 CYS A 113 4.801 -2.410 3.582 1.00 1.05 H new ATOM 0 HB3 CYS A 113 4.803 -4.162 3.529 1.00 1.05 H new ATOM 0 HG CYS A 113 2.216 -3.727 1.861 1.00 2.00 H new ATOM 1692 N GLY A 166 -0.493 -1.881 3.932 1.00 1.30 N ATOM 1693 CA GLY A 166 0.379 -1.172 3.020 1.00 1.24 C ATOM 1694 C GLY A 166 -0.371 -0.523 1.875 1.00 1.03 C ATOM 1695 O GLY A 166 0.227 -0.174 0.857 1.00 1.05 O ATOM 0 HA2 GLY A 166 0.927 -0.406 3.570 1.00 1.24 H new ATOM 0 HA3 GLY A 166 1.117 -1.865 2.618 1.00 1.24 H new ATOM 1699 N SER A 167 -1.675 -0.349 2.037 1.00 0.98 N ATOM 1700 CA SER A 167 -2.488 0.305 1.019 1.00 0.99 C ATOM 1701 C SER A 167 -2.094 1.774 0.872 1.00 0.78 C ATOM 1702 O SER A 167 -2.279 2.378 -0.179 1.00 0.86 O ATOM 1703 CB SER A 167 -3.970 0.169 1.371 1.00 1.17 C ATOM 1704 OG SER A 167 -4.177 0.353 2.761 1.00 1.82 O ATOM 0 H SER A 167 -2.193 -0.651 2.862 1.00 0.98 H new ATOM 0 HA SER A 167 -2.311 -0.183 0.061 1.00 0.99 H new ATOM 0 HB2 SER A 167 -4.550 0.904 0.812 1.00 1.17 H new ATOM 0 HB3 SER A 167 -4.330 -0.815 1.072 1.00 1.17 H new ATOM 0 HG SER A 167 -5.132 0.264 2.964 1.00 1.82 H new ATOM 1710 N TRP A 168 -1.528 2.333 1.932 1.00 0.62 N ATOM 1711 CA TRP A 168 -1.039 3.705 1.913 1.00 0.51 C ATOM 1712 C TRP A 168 0.371 3.763 1.332 1.00 0.42 C ATOM 1713 O TRP A 168 0.841 4.816 0.908 1.00 0.43 O ATOM 1714 CB TRP A 168 -1.046 4.287 3.330 1.00 0.56 C ATOM 1715 CG TRP A 168 -0.214 3.509 4.309 1.00 0.55 C ATOM 1716 CD1 TRP A 168 -0.535 2.317 4.893 1.00 0.69 C ATOM 1717 CD2 TRP A 168 1.070 3.877 4.828 1.00 0.49 C ATOM 1718 NE1 TRP A 168 0.476 1.912 5.727 1.00 0.70 N ATOM 1719 CE2 TRP A 168 1.472 2.854 5.710 1.00 0.56 C ATOM 1720 CE3 TRP A 168 1.919 4.968 4.632 1.00 0.49 C ATOM 1721 CZ2 TRP A 168 2.688 2.893 6.388 1.00 0.55 C ATOM 1722 CZ3 TRP A 168 3.124 5.004 5.307 1.00 0.51 C ATOM 1723 CH2 TRP A 168 3.500 3.974 6.175 1.00 0.50 C ATOM 0 H TRP A 168 -1.395 1.854 2.822 1.00 0.62 H new ATOM 0 HA TRP A 168 -1.700 4.299 1.282 1.00 0.51 H new ATOM 0 HB2 TRP A 168 -0.681 5.314 3.293 1.00 0.56 H new ATOM 0 HB3 TRP A 168 -2.074 4.326 3.691 1.00 0.56 H new ATOM 0 HD1 TRP A 168 -1.452 1.772 4.723 1.00 0.69 H new ATOM 0 HE1 TRP A 168 0.485 1.050 6.272 1.00 0.70 H new ATOM 0 HE3 TRP A 168 1.639 5.770 3.965 1.00 0.49 H new ATOM 0 HZ2 TRP A 168 2.980 2.098 7.058 1.00 0.55 H new ATOM 0 HZ3 TRP A 168 3.788 5.843 5.162 1.00 0.51 H new ATOM 0 HH2 TRP A 168 4.449 4.033 6.687 1.00 0.50 H new ATOM 1734 N LEU A 169 1.032 2.615 1.296 1.00 0.41 N ATOM 1735 CA LEU A 169 2.408 2.533 0.831 1.00 0.38 C ATOM 1736 C LEU A 169 2.481 2.507 -0.689 1.00 0.39 C ATOM 1737 O LEU A 169 3.544 2.704 -1.265 1.00 0.41 O ATOM 1738 CB LEU A 169 3.101 1.309 1.427 1.00 0.44 C ATOM 1739 CG LEU A 169 3.423 1.418 2.920 1.00 0.46 C ATOM 1740 CD1 LEU A 169 3.919 0.094 3.462 1.00 0.66 C ATOM 1741 CD2 LEU A 169 4.462 2.500 3.159 1.00 0.55 C ATOM 0 H LEU A 169 0.634 1.722 1.586 1.00 0.41 H new ATOM 0 HA LEU A 169 2.930 3.428 1.170 1.00 0.38 H new ATOM 0 HB2 LEU A 169 2.467 0.437 1.269 1.00 0.44 H new ATOM 0 HB3 LEU A 169 4.028 1.132 0.882 1.00 0.44 H new ATOM 0 HG LEU A 169 2.506 1.685 3.446 1.00 0.46 H new ATOM 0 HD11 LEU A 169 4.141 0.196 4.524 1.00 0.66 H new ATOM 0 HD12 LEU A 169 3.151 -0.667 3.323 1.00 0.66 H new ATOM 0 HD13 LEU A 169 4.823 -0.202 2.929 1.00 0.66 H new ATOM 0 HD21 LEU A 169 4.680 2.566 4.225 1.00 0.55 H new ATOM 0 HD22 LEU A 169 5.375 2.254 2.616 1.00 0.55 H new ATOM 0 HD23 LEU A 169 4.077 3.458 2.808 1.00 0.55 H new ATOM 1753 N LYS A 170 1.343 2.269 -1.336 1.00 0.44 N ATOM 1754 CA LYS A 170 1.286 2.274 -2.795 1.00 0.52 C ATOM 1755 C LYS A 170 1.590 3.668 -3.337 1.00 0.50 C ATOM 1756 O LYS A 170 1.929 3.831 -4.509 1.00 0.61 O ATOM 1757 CB LYS A 170 -0.098 1.839 -3.291 1.00 0.66 C ATOM 1758 CG LYS A 170 -1.192 2.856 -3.000 1.00 0.74 C ATOM 1759 CD LYS A 170 -2.502 2.517 -3.696 1.00 0.83 C ATOM 1760 CE LYS A 170 -2.355 2.535 -5.210 1.00 1.15 C ATOM 1761 NZ LYS A 170 -3.653 2.309 -5.895 1.00 1.48 N ATOM 0 H LYS A 170 0.454 2.072 -0.877 1.00 0.44 H new ATOM 0 HA LYS A 170 2.034 1.569 -3.156 1.00 0.52 H new ATOM 0 HB2 LYS A 170 -0.052 1.664 -4.366 1.00 0.66 H new ATOM 0 HB3 LYS A 170 -0.361 0.890 -2.824 1.00 0.66 H new ATOM 0 HG2 LYS A 170 -1.359 2.908 -1.924 1.00 0.74 H new ATOM 0 HG3 LYS A 170 -0.860 3.844 -3.319 1.00 0.74 H new ATOM 0 HD2 LYS A 170 -2.841 1.532 -3.375 1.00 0.83 H new ATOM 0 HD3 LYS A 170 -3.269 3.231 -3.396 1.00 0.83 H new ATOM 0 HE2 LYS A 170 -1.941 3.494 -5.523 1.00 1.15 H new ATOM 0 HE3 LYS A 170 -1.645 1.766 -5.515 1.00 1.15 H new ATOM 0 HZ1 LYS A 170 -3.510 2.329 -6.925 1.00 1.48 H new ATOM 0 HZ2 LYS A 170 -4.036 1.383 -5.616 1.00 1.48 H new ATOM 0 HZ3 LYS A 170 -4.323 3.057 -5.624 1.00 1.48 H new ATOM 1775 N TYR A 171 1.459 4.667 -2.474 1.00 0.45 N ATOM 1776 CA TYR A 171 1.628 6.052 -2.878 1.00 0.52 C ATOM 1777 C TYR A 171 3.092 6.385 -3.144 1.00 0.53 C ATOM 1778 O TYR A 171 3.399 7.119 -4.075 1.00 0.68 O ATOM 1779 CB TYR A 171 1.054 6.990 -1.814 1.00 0.56 C ATOM 1780 CG TYR A 171 -0.459 7.014 -1.774 1.00 0.85 C ATOM 1781 CD1 TYR A 171 -1.165 8.070 -2.337 1.00 1.12 C ATOM 1782 CD2 TYR A 171 -1.180 5.987 -1.177 1.00 1.03 C ATOM 1783 CE1 TYR A 171 -2.545 8.101 -2.305 1.00 1.44 C ATOM 1784 CE2 TYR A 171 -2.562 6.012 -1.143 1.00 1.42 C ATOM 1785 CZ TYR A 171 -3.240 7.070 -1.708 1.00 1.58 C ATOM 1786 OH TYR A 171 -4.615 7.100 -1.674 1.00 1.97 O ATOM 0 H TYR A 171 1.235 4.541 -1.487 1.00 0.45 H new ATOM 0 HA TYR A 171 1.081 6.194 -3.810 1.00 0.52 H new ATOM 0 HB2 TYR A 171 1.429 6.688 -0.836 1.00 0.56 H new ATOM 0 HB3 TYR A 171 1.420 8.000 -1.998 1.00 0.56 H new ATOM 0 HD1 TYR A 171 -0.626 8.879 -2.807 1.00 1.12 H new ATOM 0 HD2 TYR A 171 -0.652 5.156 -0.732 1.00 1.03 H new ATOM 0 HE1 TYR A 171 -3.079 8.930 -2.746 1.00 1.44 H new ATOM 0 HE2 TYR A 171 -3.108 5.206 -0.676 1.00 1.42 H new ATOM 0 HH TYR A 171 -4.949 6.299 -1.219 1.00 1.97 H new ATOM 1796 N ILE A 172 4.000 5.833 -2.349 1.00 0.43 N ATOM 1797 CA ILE A 172 5.415 6.117 -2.547 1.00 0.46 C ATOM 1798 C ILE A 172 5.946 5.391 -3.770 1.00 0.56 C ATOM 1799 O ILE A 172 5.918 4.162 -3.852 1.00 0.67 O ATOM 1800 CB ILE A 172 6.293 5.794 -1.313 1.00 0.42 C ATOM 1801 CG1 ILE A 172 5.567 4.862 -0.331 1.00 0.42 C ATOM 1802 CG2 ILE A 172 6.749 7.084 -0.642 1.00 0.57 C ATOM 1803 CD1 ILE A 172 6.137 4.870 1.072 1.00 0.54 C ATOM 0 H ILE A 172 3.789 5.200 -1.578 1.00 0.43 H new ATOM 0 HA ILE A 172 5.482 7.194 -2.702 1.00 0.46 H new ATOM 0 HB ILE A 172 7.179 5.257 -1.651 1.00 0.42 H new ATOM 0 HG12 ILE A 172 4.516 5.149 -0.285 1.00 0.42 H new ATOM 0 HG13 ILE A 172 5.603 3.844 -0.720 1.00 0.42 H new ATOM 0 HG21 ILE A 172 7.366 6.845 0.224 1.00 0.57 H new ATOM 0 HG22 ILE A 172 7.330 7.676 -1.349 1.00 0.57 H new ATOM 0 HG23 ILE A 172 5.878 7.655 -0.321 1.00 0.57 H new ATOM 0 HD11 ILE A 172 5.567 4.186 1.700 1.00 0.54 H new ATOM 0 HD12 ILE A 172 7.179 4.553 1.043 1.00 0.54 H new ATOM 0 HD13 ILE A 172 6.076 5.877 1.484 1.00 0.54 H new ATOM 1815 N ARG A 173 6.393 6.176 -4.731 1.00 0.71 N ATOM 1816 CA ARG A 173 6.961 5.655 -5.962 1.00 0.92 C ATOM 1817 C ARG A 173 8.358 6.222 -6.181 1.00 0.69 C ATOM 1818 O ARG A 173 8.894 6.904 -5.307 1.00 0.61 O ATOM 1819 CB ARG A 173 6.049 5.973 -7.157 1.00 1.38 C ATOM 1820 CG ARG A 173 5.304 7.297 -7.034 1.00 1.82 C ATOM 1821 CD ARG A 173 6.252 8.480 -6.929 1.00 2.22 C ATOM 1822 NE ARG A 173 5.579 9.661 -6.403 1.00 2.79 N ATOM 1823 CZ ARG A 173 6.000 10.353 -5.344 1.00 3.52 C ATOM 1824 NH1 ARG A 173 7.129 10.018 -4.722 1.00 3.84 N ATOM 1825 NH2 ARG A 173 5.300 11.391 -4.913 1.00 4.34 N ATOM 0 H ARG A 173 6.373 7.195 -4.681 1.00 0.71 H new ATOM 0 HA ARG A 173 7.039 4.571 -5.877 1.00 0.92 H new ATOM 0 HB2 ARG A 173 6.651 5.990 -8.066 1.00 1.38 H new ATOM 0 HB3 ARG A 173 5.322 5.168 -7.271 1.00 1.38 H new ATOM 0 HG2 ARG A 173 4.655 7.429 -7.900 1.00 1.82 H new ATOM 0 HG3 ARG A 173 4.660 7.270 -6.155 1.00 1.82 H new ATOM 0 HD2 ARG A 173 7.090 8.219 -6.282 1.00 2.22 H new ATOM 0 HD3 ARG A 173 6.666 8.704 -7.912 1.00 2.22 H new ATOM 0 HE ARG A 173 4.732 9.978 -6.875 1.00 2.79 H new ATOM 0 HH11 ARG A 173 7.679 9.226 -5.055 1.00 3.84 H new ATOM 0 HH12 ARG A 173 7.443 10.553 -3.913 1.00 3.84 H new ATOM 0 HH21 ARG A 173 4.440 11.660 -5.391 1.00 4.34 H new ATOM 0 HH22 ARG A 173 5.621 11.921 -4.103 1.00 4.34 H new ATOM 1839 N VAL A 174 8.927 5.956 -7.350 1.00 0.70 N ATOM 1840 CA VAL A 174 10.294 6.364 -7.659 1.00 0.63 C ATOM 1841 C VAL A 174 10.435 7.888 -7.707 1.00 0.55 C ATOM 1842 O VAL A 174 9.501 8.607 -8.065 1.00 0.62 O ATOM 1843 CB VAL A 174 10.779 5.698 -8.971 1.00 0.73 C ATOM 1844 CG1 VAL A 174 9.742 5.834 -10.060 1.00 0.98 C ATOM 1845 CG2 VAL A 174 12.123 6.257 -9.426 1.00 1.07 C ATOM 0 H VAL A 174 8.460 5.456 -8.106 1.00 0.70 H new ATOM 0 HA VAL A 174 10.938 6.017 -6.851 1.00 0.63 H new ATOM 0 HB VAL A 174 10.921 4.637 -8.764 1.00 0.73 H new ATOM 0 HG11 VAL A 174 10.106 5.359 -10.971 1.00 0.98 H new ATOM 0 HG12 VAL A 174 8.817 5.352 -9.744 1.00 0.98 H new ATOM 0 HG13 VAL A 174 9.553 6.890 -10.253 1.00 0.98 H new ATOM 0 HG21 VAL A 174 12.428 5.764 -10.349 1.00 1.07 H new ATOM 0 HG22 VAL A 174 12.031 7.329 -9.600 1.00 1.07 H new ATOM 0 HG23 VAL A 174 12.872 6.078 -8.654 1.00 1.07 H new ATOM 1855 N ALA A 175 11.617 8.349 -7.300 1.00 0.53 N ATOM 1856 CA ALA A 175 11.923 9.768 -7.149 1.00 0.57 C ATOM 1857 C ALA A 175 11.757 10.543 -8.447 1.00 0.52 C ATOM 1858 O ALA A 175 11.951 10.009 -9.541 1.00 0.57 O ATOM 1859 CB ALA A 175 13.347 9.920 -6.641 1.00 0.71 C ATOM 0 H ALA A 175 12.398 7.738 -7.063 1.00 0.53 H new ATOM 0 HA ALA A 175 11.213 10.184 -6.434 1.00 0.57 H new ATOM 0 HB1 ALA A 175 13.581 10.978 -6.526 1.00 0.71 H new ATOM 0 HB2 ALA A 175 13.445 9.420 -5.677 1.00 0.71 H new ATOM 0 HB3 ALA A 175 14.038 9.471 -7.355 1.00 0.71 H new ATOM 1865 N CYS A 176 11.393 11.814 -8.303 1.00 0.62 N ATOM 1866 CA CYS A 176 11.284 12.729 -9.429 1.00 0.69 C ATOM 1867 C CYS A 176 12.625 12.876 -10.140 1.00 0.68 C ATOM 1868 O CYS A 176 12.693 12.849 -11.370 1.00 0.84 O ATOM 1869 CB CYS A 176 10.802 14.096 -8.940 1.00 0.85 C ATOM 1870 SG CYS A 176 10.612 15.331 -10.245 1.00 1.88 S ATOM 0 H CYS A 176 11.166 12.236 -7.402 1.00 0.62 H new ATOM 0 HA CYS A 176 10.562 12.321 -10.137 1.00 0.69 H new ATOM 0 HB2 CYS A 176 9.845 13.970 -8.433 1.00 0.85 H new ATOM 0 HB3 CYS A 176 11.508 14.473 -8.200 1.00 0.85 H new ATOM 0 HG CYS A 176 9.391 15.779 -10.245 1.00 1.88 H new ATOM 1876 N SER A 177 13.690 13.030 -9.360 1.00 0.63 N ATOM 1877 CA SER A 177 15.025 13.159 -9.917 1.00 0.71 C ATOM 1878 C SER A 177 16.008 12.333 -9.094 1.00 0.65 C ATOM 1879 O SER A 177 15.708 11.931 -7.970 1.00 0.66 O ATOM 1880 CB SER A 177 15.450 14.630 -9.945 1.00 0.88 C ATOM 1881 OG SER A 177 15.632 15.147 -8.635 1.00 1.63 O ATOM 0 H SER A 177 13.651 13.068 -8.341 1.00 0.63 H new ATOM 0 HA SER A 177 15.022 12.785 -10.941 1.00 0.71 H new ATOM 0 HB2 SER A 177 16.378 14.731 -10.508 1.00 0.88 H new ATOM 0 HB3 SER A 177 14.695 15.218 -10.467 1.00 0.88 H new ATOM 0 HG SER A 177 14.958 14.764 -8.036 1.00 1.63 H new ATOM 1887 N CYS A 178 17.188 12.097 -9.652 1.00 0.71 N ATOM 1888 CA CYS A 178 18.186 11.252 -9.010 1.00 0.76 C ATOM 1889 C CYS A 178 18.924 11.990 -7.898 1.00 0.71 C ATOM 1890 O CYS A 178 19.861 11.459 -7.302 1.00 0.77 O ATOM 1891 CB CYS A 178 19.172 10.727 -10.048 1.00 1.00 C ATOM 1892 SG CYS A 178 18.414 9.656 -11.288 1.00 1.96 S ATOM 0 H CYS A 178 17.478 12.481 -10.551 1.00 0.71 H new ATOM 0 HA CYS A 178 17.666 10.411 -8.552 1.00 0.76 H new ATOM 0 HB2 CYS A 178 19.643 11.572 -10.549 1.00 1.00 H new ATOM 0 HB3 CYS A 178 19.963 10.176 -9.539 1.00 1.00 H new ATOM 0 HG CYS A 178 19.321 9.257 -12.130 1.00 1.96 H new ATOM 1898 N ASP A 179 18.503 13.217 -7.625 1.00 0.76 N ATOM 1899 CA ASP A 179 19.030 13.967 -6.495 1.00 0.88 C ATOM 1900 C ASP A 179 18.200 13.673 -5.254 1.00 0.82 C ATOM 1901 O ASP A 179 18.541 14.085 -4.148 1.00 0.99 O ATOM 1902 CB ASP A 179 19.025 15.472 -6.777 1.00 1.08 C ATOM 1903 CG ASP A 179 19.864 15.851 -7.978 1.00 1.81 C ATOM 1904 OD1 ASP A 179 19.295 16.074 -9.068 1.00 2.40 O ATOM 1905 OD2 ASP A 179 21.102 15.923 -7.841 1.00 2.42 O ATOM 0 H ASP A 179 17.798 13.713 -8.170 1.00 0.76 H new ATOM 0 HA ASP A 179 20.062 13.656 -6.331 1.00 0.88 H new ATOM 0 HB2 ASP A 179 17.999 15.802 -6.939 1.00 1.08 H new ATOM 0 HB3 ASP A 179 19.396 16.002 -5.900 1.00 1.08 H new ATOM 1910 N ASP A 180 17.105 12.946 -5.455 1.00 0.70 N ATOM 1911 CA ASP A 180 16.172 12.635 -4.375 1.00 0.75 C ATOM 1912 C ASP A 180 16.254 11.160 -3.996 1.00 0.60 C ATOM 1913 O ASP A 180 15.361 10.637 -3.332 1.00 0.64 O ATOM 1914 CB ASP A 180 14.728 12.946 -4.789 1.00 0.92 C ATOM 1915 CG ASP A 180 14.524 14.360 -5.283 1.00 1.41 C ATOM 1916 OD1 ASP A 180 14.337 14.544 -6.505 1.00 2.12 O ATOM 1917 OD2 ASP A 180 14.583 15.296 -4.455 1.00 1.55 O ATOM 0 H ASP A 180 16.840 12.559 -6.361 1.00 0.70 H new ATOM 0 HA ASP A 180 16.451 13.253 -3.522 1.00 0.75 H new ATOM 0 HB2 ASP A 180 14.427 12.251 -5.573 1.00 0.92 H new ATOM 0 HB3 ASP A 180 14.070 12.770 -3.938 1.00 0.92 H new ATOM 1922 N GLN A 181 17.313 10.487 -4.426 1.00 0.51 N ATOM 1923 CA GLN A 181 17.404 9.042 -4.248 1.00 0.46 C ATOM 1924 C GLN A 181 17.515 8.660 -2.776 1.00 0.46 C ATOM 1925 O GLN A 181 18.483 9.000 -2.092 1.00 0.56 O ATOM 1926 CB GLN A 181 18.586 8.467 -5.030 1.00 0.56 C ATOM 1927 CG GLN A 181 18.503 8.712 -6.529 1.00 0.62 C ATOM 1928 CD GLN A 181 17.301 8.054 -7.187 1.00 0.70 C ATOM 1929 OE1 GLN A 181 16.777 8.555 -8.179 1.00 1.35 O ATOM 1930 NE2 GLN A 181 16.858 6.932 -6.646 1.00 0.98 N ATOM 0 H GLN A 181 18.113 10.911 -4.895 1.00 0.51 H new ATOM 0 HA GLN A 181 16.481 8.613 -4.639 1.00 0.46 H new ATOM 0 HB2 GLN A 181 19.509 8.904 -4.650 1.00 0.56 H new ATOM 0 HB3 GLN A 181 18.643 7.394 -4.849 1.00 0.56 H new ATOM 0 HG2 GLN A 181 18.464 9.786 -6.712 1.00 0.62 H new ATOM 0 HG3 GLN A 181 19.413 8.341 -7.000 1.00 0.62 H new ATOM 0 HE21 GLN A 181 17.319 6.546 -5.822 1.00 0.98 H new ATOM 0 HE22 GLN A 181 16.055 6.452 -7.053 1.00 0.98 H new ATOM 1939 N ASN A 182 16.497 7.959 -2.310 1.00 0.40 N ATOM 1940 CA ASN A 182 16.441 7.426 -0.965 1.00 0.41 C ATOM 1941 C ASN A 182 15.320 6.384 -0.924 1.00 0.36 C ATOM 1942 O ASN A 182 14.568 6.271 0.035 1.00 0.42 O ATOM 1943 CB ASN A 182 16.202 8.572 0.036 1.00 0.49 C ATOM 1944 CG ASN A 182 16.163 8.124 1.485 1.00 0.99 C ATOM 1945 OD1 ASN A 182 17.192 7.942 2.125 1.00 1.68 O ATOM 1946 ND2 ASN A 182 14.968 7.978 2.016 1.00 0.93 N ATOM 0 H ASN A 182 15.672 7.741 -2.868 1.00 0.40 H new ATOM 0 HA ASN A 182 17.380 6.948 -0.686 1.00 0.41 H new ATOM 0 HB2 ASN A 182 16.990 9.316 -0.083 1.00 0.49 H new ATOM 0 HB3 ASN A 182 15.260 9.064 -0.208 1.00 0.49 H new ATOM 0 HD21 ASN A 182 14.875 7.704 2.994 1.00 0.93 H new ATOM 0 HD22 ASN A 182 14.135 8.139 1.450 1.00 0.93 H new ATOM 1953 N LEU A 183 15.224 5.606 -1.993 1.00 0.34 N ATOM 1954 CA LEU A 183 14.086 4.719 -2.177 1.00 0.35 C ATOM 1955 C LEU A 183 14.532 3.267 -2.316 1.00 0.36 C ATOM 1956 O LEU A 183 15.295 2.934 -3.221 1.00 0.39 O ATOM 1957 CB LEU A 183 13.296 5.124 -3.428 1.00 0.39 C ATOM 1958 CG LEU A 183 13.150 6.621 -3.672 1.00 0.46 C ATOM 1959 CD1 LEU A 183 14.302 7.153 -4.502 1.00 0.73 C ATOM 1960 CD2 LEU A 183 11.837 6.912 -4.364 1.00 0.81 C ATOM 0 H LEU A 183 15.916 5.571 -2.741 1.00 0.34 H new ATOM 0 HA LEU A 183 13.453 4.807 -1.294 1.00 0.35 H new ATOM 0 HB2 LEU A 183 13.780 4.680 -4.298 1.00 0.39 H new ATOM 0 HB3 LEU A 183 12.299 4.688 -3.360 1.00 0.39 H new ATOM 0 HG LEU A 183 13.164 7.124 -2.705 1.00 0.46 H new ATOM 0 HD11 LEU A 183 14.172 8.224 -4.661 1.00 0.73 H new ATOM 0 HD12 LEU A 183 15.241 6.975 -3.978 1.00 0.73 H new ATOM 0 HD13 LEU A 183 14.322 6.643 -5.465 1.00 0.73 H new ATOM 0 HD21 LEU A 183 11.745 7.985 -4.533 1.00 0.81 H new ATOM 0 HD22 LEU A 183 11.806 6.390 -5.321 1.00 0.81 H new ATOM 0 HD23 LEU A 183 11.012 6.571 -3.738 1.00 0.81 H new ATOM 1972 N THR A 184 14.073 2.407 -1.411 1.00 0.37 N ATOM 1973 CA THR A 184 14.335 0.976 -1.528 1.00 0.41 C ATOM 1974 C THR A 184 13.219 0.136 -0.891 1.00 0.41 C ATOM 1975 O THR A 184 12.910 0.277 0.292 1.00 0.45 O ATOM 1976 CB THR A 184 15.694 0.600 -0.897 1.00 0.45 C ATOM 1977 OG1 THR A 184 16.752 1.289 -1.576 1.00 0.51 O ATOM 1978 CG2 THR A 184 15.943 -0.900 -0.968 1.00 0.49 C ATOM 0 H THR A 184 13.522 2.673 -0.595 1.00 0.37 H new ATOM 0 HA THR A 184 14.367 0.752 -2.594 1.00 0.41 H new ATOM 0 HB THR A 184 15.669 0.895 0.152 1.00 0.45 H new ATOM 0 HG1 THR A 184 16.379 1.819 -2.311 1.00 0.51 H new ATOM 0 HG21 THR A 184 16.907 -1.131 -0.515 1.00 0.49 H new ATOM 0 HG22 THR A 184 15.155 -1.426 -0.429 1.00 0.49 H new ATOM 0 HG23 THR A 184 15.946 -1.219 -2.010 1.00 0.49 H new ATOM 1986 N MET A 185 12.611 -0.724 -1.693 1.00 0.49 N ATOM 1987 CA MET A 185 11.654 -1.704 -1.193 1.00 0.51 C ATOM 1988 C MET A 185 12.250 -3.103 -1.325 1.00 0.60 C ATOM 1989 O MET A 185 12.736 -3.479 -2.390 1.00 0.90 O ATOM 1990 CB MET A 185 10.325 -1.620 -1.957 1.00 0.77 C ATOM 1991 CG MET A 185 9.376 -2.772 -1.669 1.00 1.01 C ATOM 1992 SD MET A 185 8.319 -3.166 -3.082 1.00 1.35 S ATOM 1993 CE MET A 185 7.424 -1.628 -3.291 1.00 1.03 C ATOM 0 H MET A 185 12.764 -0.764 -2.701 1.00 0.49 H new ATOM 0 HA MET A 185 11.449 -1.489 -0.144 1.00 0.51 H new ATOM 0 HB2 MET A 185 9.830 -0.682 -1.704 1.00 0.77 H new ATOM 0 HB3 MET A 185 10.533 -1.592 -3.027 1.00 0.77 H new ATOM 0 HG2 MET A 185 9.954 -3.655 -1.394 1.00 1.01 H new ATOM 0 HG3 MET A 185 8.752 -2.519 -0.812 1.00 1.01 H new ATOM 0 HE1 MET A 185 6.353 -1.819 -3.230 1.00 1.03 H new ATOM 0 HE2 MET A 185 7.713 -0.929 -2.506 1.00 1.03 H new ATOM 0 HE3 MET A 185 7.661 -1.199 -4.265 1.00 1.03 H new ATOM 2003 N CYS A 186 12.219 -3.861 -0.247 1.00 0.55 N ATOM 2004 CA CYS A 186 12.816 -5.184 -0.227 1.00 0.81 C ATOM 2005 C CYS A 186 11.739 -6.247 -0.029 1.00 0.71 C ATOM 2006 O CYS A 186 10.662 -5.962 0.499 1.00 0.65 O ATOM 2007 CB CYS A 186 13.866 -5.264 0.888 1.00 1.10 C ATOM 2008 SG CYS A 186 14.823 -6.798 0.912 1.00 1.73 S ATOM 0 H CYS A 186 11.784 -3.582 0.632 1.00 0.55 H new ATOM 0 HA CYS A 186 13.306 -5.369 -1.183 1.00 0.81 H new ATOM 0 HB2 CYS A 186 14.553 -4.424 0.783 1.00 1.10 H new ATOM 0 HB3 CYS A 186 13.366 -5.148 1.849 1.00 1.10 H new ATOM 0 HG CYS A 186 15.680 -6.760 1.889 1.00 1.73 H new ATOM 2014 N GLN A 187 12.024 -7.459 -0.470 1.00 0.81 N ATOM 2015 CA GLN A 187 11.102 -8.570 -0.309 1.00 0.79 C ATOM 2016 C GLN A 187 11.735 -9.623 0.593 1.00 0.87 C ATOM 2017 O GLN A 187 12.732 -10.244 0.229 1.00 1.01 O ATOM 2018 CB GLN A 187 10.745 -9.155 -1.684 1.00 0.95 C ATOM 2019 CG GLN A 187 9.615 -10.177 -1.664 1.00 1.08 C ATOM 2020 CD GLN A 187 10.066 -11.574 -1.274 1.00 1.47 C ATOM 2021 OE1 GLN A 187 11.200 -11.972 -1.537 1.00 1.93 O ATOM 2022 NE2 GLN A 187 9.175 -12.329 -0.656 1.00 1.60 N ATOM 0 H GLN A 187 12.893 -7.700 -0.946 1.00 0.81 H new ATOM 0 HA GLN A 187 10.180 -8.224 0.158 1.00 0.79 H new ATOM 0 HB2 GLN A 187 10.467 -8.339 -2.351 1.00 0.95 H new ATOM 0 HB3 GLN A 187 11.634 -9.624 -2.107 1.00 0.95 H new ATOM 0 HG2 GLN A 187 8.847 -9.844 -0.966 1.00 1.08 H new ATOM 0 HG3 GLN A 187 9.153 -10.215 -2.651 1.00 1.08 H new ATOM 0 HE21 GLN A 187 8.245 -11.961 -0.456 1.00 1.60 H new ATOM 0 HE22 GLN A 187 9.417 -13.280 -0.378 1.00 1.60 H new ATOM 2031 N ILE A 188 11.173 -9.798 1.782 1.00 0.82 N ATOM 2032 CA ILE A 188 11.703 -10.758 2.741 1.00 0.92 C ATOM 2033 C ILE A 188 10.573 -11.515 3.424 1.00 0.95 C ATOM 2034 O ILE A 188 9.510 -10.954 3.673 1.00 0.87 O ATOM 2035 CB ILE A 188 12.575 -10.082 3.828 1.00 0.99 C ATOM 2036 CG1 ILE A 188 11.784 -8.998 4.562 1.00 0.96 C ATOM 2037 CG2 ILE A 188 13.832 -9.490 3.216 1.00 1.07 C ATOM 2038 CD1 ILE A 188 12.498 -8.446 5.779 1.00 1.11 C ATOM 0 H ILE A 188 10.351 -9.288 2.105 1.00 0.82 H new ATOM 0 HA ILE A 188 12.329 -11.447 2.174 1.00 0.92 H new ATOM 0 HB ILE A 188 12.866 -10.846 4.549 1.00 0.99 H new ATOM 0 HG12 ILE A 188 11.576 -8.181 3.871 1.00 0.96 H new ATOM 0 HG13 ILE A 188 10.822 -9.407 4.870 1.00 0.96 H new ATOM 0 HG21 ILE A 188 14.430 -9.020 3.997 1.00 1.07 H new ATOM 0 HG22 ILE A 188 14.412 -10.281 2.741 1.00 1.07 H new ATOM 0 HG23 ILE A 188 13.557 -8.744 2.471 1.00 1.07 H new ATOM 0 HD11 ILE A 188 11.878 -7.682 6.249 1.00 1.11 H new ATOM 0 HD12 ILE A 188 12.682 -9.252 6.489 1.00 1.11 H new ATOM 0 HD13 ILE A 188 13.448 -8.006 5.475 1.00 1.11 H new ATOM 2050 N SER A 189 10.803 -12.798 3.684 1.00 1.12 N ATOM 2051 CA SER A 189 9.869 -13.629 4.439 1.00 1.23 C ATOM 2052 C SER A 189 8.475 -13.626 3.809 1.00 1.13 C ATOM 2053 O SER A 189 7.460 -13.624 4.510 1.00 1.15 O ATOM 2054 CB SER A 189 9.803 -13.154 5.895 1.00 1.31 C ATOM 2055 OG SER A 189 9.103 -14.078 6.708 1.00 1.86 O ATOM 0 H SER A 189 11.641 -13.292 3.378 1.00 1.12 H new ATOM 0 HA SER A 189 10.236 -14.655 4.415 1.00 1.23 H new ATOM 0 HB2 SER A 189 10.813 -13.019 6.282 1.00 1.31 H new ATOM 0 HB3 SER A 189 9.312 -12.182 5.940 1.00 1.31 H new ATOM 0 HG SER A 189 8.227 -14.265 6.311 1.00 1.86 H new ATOM 2061 N GLU A 190 8.440 -13.626 2.476 1.00 1.11 N ATOM 2062 CA GLU A 190 7.191 -13.668 1.715 1.00 1.13 C ATOM 2063 C GLU A 190 6.302 -12.462 2.020 1.00 0.96 C ATOM 2064 O GLU A 190 5.078 -12.551 1.939 1.00 1.05 O ATOM 2065 CB GLU A 190 6.433 -14.971 2.004 1.00 1.34 C ATOM 2066 CG GLU A 190 7.278 -16.216 1.801 1.00 1.74 C ATOM 2067 CD GLU A 190 6.532 -17.500 2.098 1.00 2.26 C ATOM 2068 OE1 GLU A 190 6.440 -18.357 1.196 1.00 2.66 O ATOM 2069 OE2 GLU A 190 6.053 -17.672 3.238 1.00 2.83 O ATOM 0 H GLU A 190 9.277 -13.597 1.893 1.00 1.11 H new ATOM 0 HA GLU A 190 7.449 -13.631 0.657 1.00 1.13 H new ATOM 0 HB2 GLU A 190 6.069 -14.951 3.031 1.00 1.34 H new ATOM 0 HB3 GLU A 190 5.558 -15.025 1.357 1.00 1.34 H new ATOM 0 HG2 GLU A 190 7.635 -16.241 0.771 1.00 1.74 H new ATOM 0 HG3 GLU A 190 8.158 -16.158 2.442 1.00 1.74 H new ATOM 2076 N GLN A 191 6.913 -11.341 2.387 1.00 0.81 N ATOM 2077 CA GLN A 191 6.165 -10.124 2.660 1.00 0.71 C ATOM 2078 C GLN A 191 6.962 -8.896 2.220 1.00 0.61 C ATOM 2079 O GLN A 191 8.191 -8.944 2.112 1.00 0.65 O ATOM 2080 CB GLN A 191 5.793 -10.048 4.147 1.00 0.78 C ATOM 2081 CG GLN A 191 6.975 -9.901 5.089 1.00 0.87 C ATOM 2082 CD GLN A 191 6.647 -10.340 6.505 1.00 1.15 C ATOM 2083 OE1 GLN A 191 6.881 -11.490 6.879 1.00 1.75 O ATOM 2084 NE2 GLN A 191 6.066 -9.448 7.291 1.00 1.46 N ATOM 0 H GLN A 191 7.923 -11.252 2.502 1.00 0.81 H new ATOM 0 HA GLN A 191 5.240 -10.143 2.084 1.00 0.71 H new ATOM 0 HB2 GLN A 191 5.119 -9.204 4.297 1.00 0.78 H new ATOM 0 HB3 GLN A 191 5.241 -10.948 4.416 1.00 0.78 H new ATOM 0 HG2 GLN A 191 7.811 -10.491 4.713 1.00 0.87 H new ATOM 0 HG3 GLN A 191 7.299 -8.860 5.100 1.00 0.87 H new ATOM 0 HE21 GLN A 191 5.888 -8.504 6.947 1.00 1.46 H new ATOM 0 HE22 GLN A 191 5.796 -9.704 8.241 1.00 1.46 H new ATOM 2093 N ILE A 192 6.255 -7.806 1.952 1.00 0.56 N ATOM 2094 CA ILE A 192 6.873 -6.590 1.432 1.00 0.50 C ATOM 2095 C ILE A 192 7.487 -5.755 2.557 1.00 0.47 C ATOM 2096 O ILE A 192 6.872 -5.548 3.610 1.00 0.61 O ATOM 2097 CB ILE A 192 5.852 -5.733 0.647 1.00 0.65 C ATOM 2098 CG1 ILE A 192 5.250 -6.536 -0.515 1.00 0.89 C ATOM 2099 CG2 ILE A 192 6.502 -4.459 0.123 1.00 0.64 C ATOM 2100 CD1 ILE A 192 6.259 -6.956 -1.564 1.00 1.01 C ATOM 0 H ILE A 192 5.246 -7.738 2.087 1.00 0.56 H new ATOM 0 HA ILE A 192 7.666 -6.901 0.752 1.00 0.50 H new ATOM 0 HB ILE A 192 5.051 -5.455 1.332 1.00 0.65 H new ATOM 0 HG12 ILE A 192 4.766 -7.427 -0.115 1.00 0.89 H new ATOM 0 HG13 ILE A 192 4.473 -5.938 -0.992 1.00 0.89 H new ATOM 0 HG21 ILE A 192 5.764 -3.873 -0.425 1.00 0.64 H new ATOM 0 HG22 ILE A 192 6.881 -3.873 0.960 1.00 0.64 H new ATOM 0 HG23 ILE A 192 7.326 -4.718 -0.541 1.00 0.64 H new ATOM 0 HD11 ILE A 192 5.754 -7.518 -2.350 1.00 1.01 H new ATOM 0 HD12 ILE A 192 6.726 -6.070 -1.994 1.00 1.01 H new ATOM 0 HD13 ILE A 192 7.023 -7.582 -1.104 1.00 1.01 H new ATOM 2112 N TYR A 193 8.701 -5.282 2.323 1.00 0.48 N ATOM 2113 CA TYR A 193 9.447 -4.507 3.299 1.00 0.68 C ATOM 2114 C TYR A 193 9.862 -3.168 2.685 1.00 0.50 C ATOM 2115 O TYR A 193 10.531 -3.134 1.659 1.00 0.47 O ATOM 2116 CB TYR A 193 10.685 -5.315 3.724 1.00 1.05 C ATOM 2117 CG TYR A 193 11.506 -4.721 4.853 1.00 1.54 C ATOM 2118 CD1 TYR A 193 12.475 -3.759 4.599 1.00 2.35 C ATOM 2119 CD2 TYR A 193 11.294 -5.100 6.173 1.00 1.86 C ATOM 2120 CE1 TYR A 193 13.210 -3.196 5.624 1.00 3.17 C ATOM 2121 CE2 TYR A 193 12.029 -4.542 7.203 1.00 2.49 C ATOM 2122 CZ TYR A 193 13.042 -3.673 6.924 1.00 3.09 C ATOM 2123 OH TYR A 193 13.713 -3.033 7.950 1.00 3.94 O ATOM 0 H TYR A 193 9.199 -5.427 1.444 1.00 0.48 H new ATOM 0 HA TYR A 193 8.829 -4.305 4.174 1.00 0.68 H new ATOM 0 HB2 TYR A 193 10.360 -6.312 4.022 1.00 1.05 H new ATOM 0 HB3 TYR A 193 11.332 -5.437 2.855 1.00 1.05 H new ATOM 0 HD1 TYR A 193 12.657 -3.445 3.582 1.00 2.35 H new ATOM 0 HD2 TYR A 193 10.543 -5.843 6.398 1.00 1.86 H new ATOM 0 HE1 TYR A 193 13.907 -2.396 5.421 1.00 3.17 H new ATOM 0 HE2 TYR A 193 11.801 -4.794 8.228 1.00 2.49 H new ATOM 0 HH TYR A 193 13.503 -3.470 8.801 1.00 3.94 H new ATOM 2133 N TYR A 194 9.461 -2.067 3.303 1.00 0.49 N ATOM 2134 CA TYR A 194 9.871 -0.750 2.833 1.00 0.41 C ATOM 2135 C TYR A 194 11.026 -0.258 3.682 1.00 0.40 C ATOM 2136 O TYR A 194 10.858 -0.001 4.866 1.00 0.49 O ATOM 2137 CB TYR A 194 8.705 0.247 2.903 1.00 0.56 C ATOM 2138 CG TYR A 194 7.745 0.150 1.734 1.00 0.59 C ATOM 2139 CD1 TYR A 194 6.866 -0.921 1.620 1.00 0.80 C ATOM 2140 CD2 TYR A 194 7.713 1.131 0.752 1.00 0.78 C ATOM 2141 CE1 TYR A 194 5.984 -1.011 0.561 1.00 0.89 C ATOM 2142 CE2 TYR A 194 6.833 1.047 -0.311 1.00 0.85 C ATOM 2143 CZ TYR A 194 5.994 -0.026 -0.418 1.00 0.80 C ATOM 2144 OH TYR A 194 5.096 -0.108 -1.456 1.00 0.92 O ATOM 0 H TYR A 194 8.857 -2.057 4.125 1.00 0.49 H new ATOM 0 HA TYR A 194 10.183 -0.829 1.792 1.00 0.41 H new ATOM 0 HB2 TYR A 194 8.153 0.082 3.829 1.00 0.56 H new ATOM 0 HB3 TYR A 194 9.107 1.259 2.948 1.00 0.56 H new ATOM 0 HD1 TYR A 194 6.873 -1.696 2.372 1.00 0.80 H new ATOM 0 HD2 TYR A 194 8.386 1.973 0.820 1.00 0.78 H new ATOM 0 HE1 TYR A 194 5.294 -1.839 0.495 1.00 0.89 H new ATOM 0 HE2 TYR A 194 6.809 1.829 -1.056 1.00 0.85 H new ATOM 0 HH TYR A 194 4.549 0.705 -1.480 1.00 0.92 H new ATOM 2154 N LYS A 195 12.189 -0.129 3.071 1.00 0.37 N ATOM 2155 CA LYS A 195 13.404 0.172 3.809 1.00 0.38 C ATOM 2156 C LYS A 195 13.888 1.571 3.481 1.00 0.39 C ATOM 2157 O LYS A 195 14.054 1.915 2.311 1.00 0.43 O ATOM 2158 CB LYS A 195 14.490 -0.855 3.469 1.00 0.40 C ATOM 2159 CG LYS A 195 15.735 -0.753 4.338 1.00 0.43 C ATOM 2160 CD LYS A 195 16.851 0.025 3.652 1.00 0.46 C ATOM 2161 CE LYS A 195 17.455 -0.756 2.493 1.00 0.53 C ATOM 2162 NZ LYS A 195 18.055 -2.040 2.937 1.00 1.11 N ATOM 0 H LYS A 195 12.319 -0.228 2.064 1.00 0.37 H new ATOM 0 HA LYS A 195 13.188 0.121 4.876 1.00 0.38 H new ATOM 0 HB2 LYS A 195 14.072 -1.857 3.568 1.00 0.40 H new ATOM 0 HB3 LYS A 195 14.778 -0.732 2.425 1.00 0.40 H new ATOM 0 HG2 LYS A 195 15.480 -0.266 5.280 1.00 0.43 H new ATOM 0 HG3 LYS A 195 16.089 -1.755 4.582 1.00 0.43 H new ATOM 0 HD2 LYS A 195 16.460 0.974 3.286 1.00 0.46 H new ATOM 0 HD3 LYS A 195 17.630 0.259 4.378 1.00 0.46 H new ATOM 0 HE2 LYS A 195 16.683 -0.955 1.749 1.00 0.53 H new ATOM 0 HE3 LYS A 195 18.218 -0.149 2.006 1.00 0.53 H new ATOM 0 HZ1 LYS A 195 18.707 -2.390 2.206 1.00 1.11 H new ATOM 0 HZ2 LYS A 195 18.577 -1.891 3.824 1.00 1.11 H new ATOM 0 HZ3 LYS A 195 17.302 -2.740 3.092 1.00 1.11 H new ATOM 2176 N VAL A 196 14.113 2.378 4.503 1.00 0.41 N ATOM 2177 CA VAL A 196 14.634 3.709 4.278 1.00 0.45 C ATOM 2178 C VAL A 196 16.144 3.714 4.427 1.00 0.43 C ATOM 2179 O VAL A 196 16.728 2.924 5.172 1.00 0.41 O ATOM 2180 CB VAL A 196 14.019 4.770 5.196 1.00 0.51 C ATOM 2181 CG1 VAL A 196 14.059 6.120 4.502 1.00 0.70 C ATOM 2182 CG2 VAL A 196 12.592 4.403 5.578 1.00 0.68 C ATOM 0 H VAL A 196 13.946 2.138 5.480 1.00 0.41 H new ATOM 0 HA VAL A 196 14.355 3.977 3.259 1.00 0.45 H new ATOM 0 HB VAL A 196 14.601 4.821 6.116 1.00 0.51 H new ATOM 0 HG11 VAL A 196 13.622 6.877 5.153 1.00 0.70 H new ATOM 0 HG12 VAL A 196 15.093 6.385 4.281 1.00 0.70 H new ATOM 0 HG13 VAL A 196 13.491 6.069 3.573 1.00 0.70 H new ATOM 0 HG21 VAL A 196 12.180 5.173 6.230 1.00 0.68 H new ATOM 0 HG22 VAL A 196 11.983 4.326 4.678 1.00 0.68 H new ATOM 0 HG23 VAL A 196 12.590 3.446 6.101 1.00 0.68 H new ATOM 2192 N ILE A 197 16.746 4.622 3.696 1.00 0.47 N ATOM 2193 CA ILE A 197 18.167 4.597 3.397 1.00 0.45 C ATOM 2194 C ILE A 197 18.941 5.546 4.287 1.00 0.45 C ATOM 2195 O ILE A 197 19.930 5.174 4.909 1.00 0.49 O ATOM 2196 CB ILE A 197 18.383 5.039 1.943 1.00 0.47 C ATOM 2197 CG1 ILE A 197 17.145 4.701 1.118 1.00 0.60 C ATOM 2198 CG2 ILE A 197 19.630 4.404 1.359 1.00 0.47 C ATOM 2199 CD1 ILE A 197 16.823 3.229 1.054 1.00 0.62 C ATOM 0 H ILE A 197 16.257 5.416 3.282 1.00 0.47 H new ATOM 0 HA ILE A 197 18.523 3.580 3.564 1.00 0.45 H new ATOM 0 HB ILE A 197 18.534 6.118 1.918 1.00 0.47 H new ATOM 0 HG12 ILE A 197 16.289 5.230 1.536 1.00 0.60 H new ATOM 0 HG13 ILE A 197 17.286 5.074 0.104 1.00 0.60 H new ATOM 0 HG21 ILE A 197 19.758 4.735 0.328 1.00 0.47 H new ATOM 0 HG22 ILE A 197 20.499 4.701 1.946 1.00 0.47 H new ATOM 0 HG23 ILE A 197 19.531 3.319 1.382 1.00 0.47 H new ATOM 0 HD11 ILE A 197 15.929 3.078 0.448 1.00 0.62 H new ATOM 0 HD12 ILE A 197 17.660 2.693 0.606 1.00 0.62 H new ATOM 0 HD13 ILE A 197 16.647 2.851 2.061 1.00 0.62 H new ATOM 2211 N LYS A 198 18.503 6.787 4.293 1.00 0.47 N ATOM 2212 CA LYS A 198 19.141 7.824 5.083 1.00 0.49 C ATOM 2213 C LYS A 198 18.147 8.917 5.443 1.00 0.48 C ATOM 2214 O LYS A 198 16.978 8.837 5.063 1.00 0.49 O ATOM 2215 CB LYS A 198 20.364 8.405 4.349 1.00 0.59 C ATOM 2216 CG LYS A 198 20.206 8.520 2.834 1.00 0.75 C ATOM 2217 CD LYS A 198 20.109 9.965 2.369 1.00 0.94 C ATOM 2218 CE LYS A 198 18.759 10.577 2.696 1.00 0.98 C ATOM 2219 NZ LYS A 198 18.676 12.006 2.287 1.00 1.38 N ATOM 0 H LYS A 198 17.698 7.107 3.754 1.00 0.47 H new ATOM 0 HA LYS A 198 19.495 7.373 6.010 1.00 0.49 H new ATOM 0 HB2 LYS A 198 20.577 9.394 4.754 1.00 0.59 H new ATOM 0 HB3 LYS A 198 21.230 7.779 4.564 1.00 0.59 H new ATOM 0 HG2 LYS A 198 21.054 8.040 2.346 1.00 0.75 H new ATOM 0 HG3 LYS A 198 19.312 7.980 2.523 1.00 0.75 H new ATOM 0 HD2 LYS A 198 20.897 10.552 2.841 1.00 0.94 H new ATOM 0 HD3 LYS A 198 20.278 10.012 1.293 1.00 0.94 H new ATOM 0 HE2 LYS A 198 17.974 10.011 2.194 1.00 0.98 H new ATOM 0 HE3 LYS A 198 18.575 10.496 3.767 1.00 0.98 H new ATOM 0 HZ1 LYS A 198 18.169 12.547 3.016 1.00 1.38 H new ATOM 0 HZ2 LYS A 198 19.635 12.391 2.175 1.00 1.38 H new ATOM 0 HZ3 LYS A 198 18.166 12.079 1.384 1.00 1.38 H new ATOM 2233 N ASP A 199 18.631 9.934 6.150 1.00 0.52 N ATOM 2234 CA ASP A 199 17.785 10.991 6.709 1.00 0.56 C ATOM 2235 C ASP A 199 16.878 11.637 5.660 1.00 0.55 C ATOM 2236 O ASP A 199 17.335 12.315 4.742 1.00 0.67 O ATOM 2237 CB ASP A 199 18.649 12.064 7.388 1.00 0.67 C ATOM 2238 CG ASP A 199 19.625 12.736 6.434 1.00 1.56 C ATOM 2239 OD1 ASP A 199 20.585 12.074 5.988 1.00 2.23 O ATOM 2240 OD2 ASP A 199 19.433 13.931 6.129 1.00 2.13 O ATOM 0 H ASP A 199 19.624 10.051 6.354 1.00 0.52 H new ATOM 0 HA ASP A 199 17.138 10.519 7.448 1.00 0.56 H new ATOM 0 HB2 ASP A 199 17.999 12.821 7.826 1.00 0.67 H new ATOM 0 HB3 ASP A 199 19.206 11.609 8.207 1.00 0.67 H new ATOM 2245 N ILE A 200 15.587 11.387 5.787 1.00 0.52 N ATOM 2246 CA ILE A 200 14.602 12.079 4.974 1.00 0.55 C ATOM 2247 C ILE A 200 14.310 13.452 5.553 1.00 0.54 C ATOM 2248 O ILE A 200 14.139 13.607 6.763 1.00 0.57 O ATOM 2249 CB ILE A 200 13.278 11.278 4.840 1.00 0.63 C ATOM 2250 CG1 ILE A 200 13.379 10.251 3.711 1.00 0.69 C ATOM 2251 CG2 ILE A 200 12.081 12.196 4.607 1.00 0.80 C ATOM 2252 CD1 ILE A 200 13.831 10.840 2.389 1.00 0.88 C ATOM 0 H ILE A 200 15.196 10.711 6.444 1.00 0.52 H new ATOM 0 HA ILE A 200 15.030 12.182 3.977 1.00 0.55 H new ATOM 0 HB ILE A 200 13.121 10.755 5.783 1.00 0.63 H new ATOM 0 HG12 ILE A 200 14.076 9.467 4.006 1.00 0.69 H new ATOM 0 HG13 ILE A 200 12.407 9.778 3.574 1.00 0.69 H new ATOM 0 HG21 ILE A 200 11.175 11.597 4.519 1.00 0.80 H new ATOM 0 HG22 ILE A 200 11.981 12.884 5.447 1.00 0.80 H new ATOM 0 HG23 ILE A 200 12.231 12.764 3.689 1.00 0.80 H new ATOM 0 HD11 ILE A 200 13.879 10.052 1.637 1.00 0.88 H new ATOM 0 HD12 ILE A 200 13.122 11.604 2.070 1.00 0.88 H new ATOM 0 HD13 ILE A 200 14.817 11.288 2.509 1.00 0.88 H new ATOM 2264 N GLU A 201 14.280 14.442 4.682 1.00 0.55 N ATOM 2265 CA GLU A 201 13.871 15.781 5.063 1.00 0.57 C ATOM 2266 C GLU A 201 12.349 15.866 5.074 1.00 0.49 C ATOM 2267 O GLU A 201 11.707 15.611 4.052 1.00 0.55 O ATOM 2268 CB GLU A 201 14.452 16.804 4.091 1.00 0.68 C ATOM 2269 CG GLU A 201 15.949 16.996 4.239 1.00 0.81 C ATOM 2270 CD GLU A 201 16.310 17.727 5.514 1.00 1.29 C ATOM 2271 OE1 GLU A 201 16.492 17.052 6.552 1.00 1.51 O ATOM 2272 OE2 GLU A 201 16.421 18.968 5.489 1.00 2.06 O ATOM 0 H GLU A 201 14.536 14.343 3.699 1.00 0.55 H new ATOM 0 HA GLU A 201 14.247 16.001 6.062 1.00 0.57 H new ATOM 0 HB2 GLU A 201 14.233 16.489 3.071 1.00 0.68 H new ATOM 0 HB3 GLU A 201 13.954 17.762 4.243 1.00 0.68 H new ATOM 0 HG2 GLU A 201 16.441 16.023 4.229 1.00 0.81 H new ATOM 0 HG3 GLU A 201 16.328 17.554 3.383 1.00 0.81 H new ATOM 2279 N PRO A 202 11.757 16.199 6.234 1.00 0.43 N ATOM 2280 CA PRO A 202 10.301 16.289 6.395 1.00 0.43 C ATOM 2281 C PRO A 202 9.639 17.063 5.261 1.00 0.45 C ATOM 2282 O PRO A 202 9.878 18.260 5.088 1.00 0.51 O ATOM 2283 CB PRO A 202 10.141 17.033 7.718 1.00 0.49 C ATOM 2284 CG PRO A 202 11.357 16.672 8.496 1.00 0.49 C ATOM 2285 CD PRO A 202 12.465 16.520 7.488 1.00 0.45 C ATOM 0 HA PRO A 202 9.825 15.308 6.381 1.00 0.43 H new ATOM 0 HB2 PRO A 202 10.074 18.110 7.563 1.00 0.49 H new ATOM 0 HB3 PRO A 202 9.232 16.729 8.237 1.00 0.49 H new ATOM 0 HG2 PRO A 202 11.597 17.445 9.226 1.00 0.49 H new ATOM 0 HG3 PRO A 202 11.205 15.746 9.051 1.00 0.49 H new ATOM 0 HD2 PRO A 202 13.049 17.435 7.395 1.00 0.45 H new ATOM 0 HD3 PRO A 202 13.157 15.727 7.771 1.00 0.45 H new ATOM 2293 N GLY A 203 8.813 16.373 4.492 1.00 0.44 N ATOM 2294 CA GLY A 203 8.154 16.999 3.369 1.00 0.52 C ATOM 2295 C GLY A 203 8.446 16.310 2.048 1.00 0.54 C ATOM 2296 O GLY A 203 7.800 16.604 1.040 1.00 0.70 O ATOM 0 H GLY A 203 8.587 15.387 4.627 1.00 0.44 H new ATOM 0 HA2 GLY A 203 7.078 17.000 3.541 1.00 0.52 H new ATOM 0 HA3 GLY A 203 8.468 18.041 3.306 1.00 0.52 H new ATOM 2300 N GLU A 204 9.416 15.403 2.024 1.00 0.48 N ATOM 2301 CA GLU A 204 9.703 14.662 0.805 1.00 0.51 C ATOM 2302 C GLU A 204 9.613 13.154 1.029 1.00 0.39 C ATOM 2303 O GLU A 204 10.234 12.595 1.934 1.00 0.40 O ATOM 2304 CB GLU A 204 11.056 15.061 0.208 1.00 0.65 C ATOM 2305 CG GLU A 204 12.252 14.803 1.105 1.00 0.71 C ATOM 2306 CD GLU A 204 13.533 15.338 0.507 1.00 0.99 C ATOM 2307 OE1 GLU A 204 14.128 14.653 -0.351 1.00 1.16 O ATOM 2308 OE2 GLU A 204 13.955 16.446 0.888 1.00 1.27 O ATOM 0 H GLU A 204 10.007 15.167 2.821 1.00 0.48 H new ATOM 0 HA GLU A 204 8.936 14.928 0.078 1.00 0.51 H new ATOM 0 HB2 GLU A 204 11.198 14.519 -0.727 1.00 0.65 H new ATOM 0 HB3 GLU A 204 11.028 16.122 -0.040 1.00 0.65 H new ATOM 0 HG2 GLU A 204 12.084 15.267 2.077 1.00 0.71 H new ATOM 0 HG3 GLU A 204 12.352 13.731 1.277 1.00 0.71 H new ATOM 2315 N GLU A 205 8.798 12.525 0.203 1.00 0.47 N ATOM 2316 CA GLU A 205 8.500 11.102 0.297 1.00 0.51 C ATOM 2317 C GLU A 205 9.134 10.307 -0.841 1.00 0.43 C ATOM 2318 O GLU A 205 8.595 10.266 -1.950 1.00 0.49 O ATOM 2319 CB GLU A 205 6.985 10.888 0.275 1.00 0.80 C ATOM 2320 CG GLU A 205 6.176 12.113 -0.170 1.00 1.49 C ATOM 2321 CD GLU A 205 6.466 12.556 -1.595 1.00 2.41 C ATOM 2322 OE1 GLU A 205 7.355 13.398 -1.785 1.00 2.84 O ATOM 2323 OE2 GLU A 205 5.800 12.056 -2.531 1.00 2.92 O ATOM 0 H GLU A 205 8.316 12.992 -0.565 1.00 0.47 H new ATOM 0 HA GLU A 205 8.921 10.742 1.236 1.00 0.51 H new ATOM 0 HB2 GLU A 205 6.758 10.056 -0.392 1.00 0.80 H new ATOM 0 HB3 GLU A 205 6.658 10.595 1.273 1.00 0.80 H new ATOM 0 HG2 GLU A 205 5.113 11.888 -0.079 1.00 1.49 H new ATOM 0 HG3 GLU A 205 6.386 12.941 0.508 1.00 1.49 H new ATOM 2330 N LEU A 206 10.262 9.662 -0.579 1.00 0.37 N ATOM 2331 CA LEU A 206 10.903 8.848 -1.603 1.00 0.36 C ATOM 2332 C LEU A 206 11.066 7.405 -1.116 1.00 0.36 C ATOM 2333 O LEU A 206 11.991 7.113 -0.370 1.00 0.39 O ATOM 2334 CB LEU A 206 12.297 9.408 -1.964 1.00 0.41 C ATOM 2335 CG LEU A 206 12.393 10.895 -2.334 1.00 0.44 C ATOM 2336 CD1 LEU A 206 11.301 11.295 -3.312 1.00 0.90 C ATOM 2337 CD2 LEU A 206 12.375 11.767 -1.087 1.00 0.84 C ATOM 0 H LEU A 206 10.746 9.685 0.318 1.00 0.37 H new ATOM 0 HA LEU A 206 10.265 8.871 -2.486 1.00 0.36 H new ATOM 0 HB2 LEU A 206 12.960 9.229 -1.118 1.00 0.41 H new ATOM 0 HB3 LEU A 206 12.685 8.828 -2.801 1.00 0.41 H new ATOM 0 HG LEU A 206 13.347 11.054 -2.836 1.00 0.44 H new ATOM 0 HD11 LEU A 206 11.398 12.354 -3.553 1.00 0.90 H new ATOM 0 HD12 LEU A 206 11.395 10.705 -4.224 1.00 0.90 H new ATOM 0 HD13 LEU A 206 10.325 11.113 -2.862 1.00 0.90 H new ATOM 0 HD21 LEU A 206 12.444 12.816 -1.375 1.00 0.84 H new ATOM 0 HD22 LEU A 206 11.447 11.601 -0.541 1.00 0.84 H new ATOM 0 HD23 LEU A 206 13.221 11.509 -0.451 1.00 0.84 H new ATOM 2349 N LEU A 207 10.173 6.511 -1.553 1.00 0.37 N ATOM 2350 CA LEU A 207 10.280 5.069 -1.266 1.00 0.40 C ATOM 2351 C LEU A 207 9.754 4.249 -2.453 1.00 0.43 C ATOM 2352 O LEU A 207 8.572 4.304 -2.759 1.00 0.53 O ATOM 2353 CB LEU A 207 9.485 4.682 -0.001 1.00 0.43 C ATOM 2354 CG LEU A 207 10.131 4.977 1.370 1.00 0.45 C ATOM 2355 CD1 LEU A 207 11.615 4.632 1.382 1.00 0.49 C ATOM 2356 CD2 LEU A 207 9.905 6.424 1.788 1.00 0.44 C ATOM 0 H LEU A 207 9.358 6.761 -2.113 1.00 0.37 H new ATOM 0 HA LEU A 207 11.334 4.850 -1.098 1.00 0.40 H new ATOM 0 HB2 LEU A 207 8.525 5.197 -0.037 1.00 0.43 H new ATOM 0 HB3 LEU A 207 9.275 3.613 -0.050 1.00 0.43 H new ATOM 0 HG LEU A 207 9.640 4.334 2.101 1.00 0.45 H new ATOM 0 HD11 LEU A 207 12.032 4.854 2.364 1.00 0.49 H new ATOM 0 HD12 LEU A 207 11.744 3.572 1.164 1.00 0.49 H new ATOM 0 HD13 LEU A 207 12.132 5.223 0.626 1.00 0.49 H new ATOM 0 HD21 LEU A 207 10.372 6.600 2.757 1.00 0.44 H new ATOM 0 HD22 LEU A 207 10.346 7.090 1.046 1.00 0.44 H new ATOM 0 HD23 LEU A 207 8.835 6.619 1.860 1.00 0.44 H new ATOM 2368 N VAL A 208 10.627 3.506 -3.129 1.00 0.43 N ATOM 2369 CA VAL A 208 10.230 2.672 -4.256 1.00 0.50 C ATOM 2370 C VAL A 208 11.223 1.531 -4.449 1.00 0.57 C ATOM 2371 O VAL A 208 12.333 1.572 -3.921 1.00 0.59 O ATOM 2372 CB VAL A 208 10.169 3.476 -5.570 1.00 0.48 C ATOM 2373 CG1 VAL A 208 11.572 3.724 -6.100 1.00 0.91 C ATOM 2374 CG2 VAL A 208 9.310 2.764 -6.607 1.00 0.88 C ATOM 0 H VAL A 208 11.623 3.466 -2.911 1.00 0.43 H new ATOM 0 HA VAL A 208 9.238 2.284 -4.025 1.00 0.50 H new ATOM 0 HB VAL A 208 9.704 4.440 -5.363 1.00 0.48 H new ATOM 0 HG11 VAL A 208 11.515 4.293 -7.028 1.00 0.91 H new ATOM 0 HG12 VAL A 208 12.145 4.288 -5.364 1.00 0.91 H new ATOM 0 HG13 VAL A 208 12.064 2.770 -6.289 1.00 0.91 H new ATOM 0 HG21 VAL A 208 9.284 3.353 -7.524 1.00 0.88 H new ATOM 0 HG22 VAL A 208 9.733 1.782 -6.818 1.00 0.88 H new ATOM 0 HG23 VAL A 208 8.297 2.647 -6.222 1.00 0.88 H new ATOM 2384 N HIS A 209 10.811 0.505 -5.169 1.00 0.69 N ATOM 2385 CA HIS A 209 11.755 -0.436 -5.742 1.00 0.82 C ATOM 2386 C HIS A 209 11.419 -0.650 -7.210 1.00 0.94 C ATOM 2387 O HIS A 209 10.382 -1.228 -7.538 1.00 1.09 O ATOM 2388 CB HIS A 209 11.737 -1.766 -4.986 1.00 1.02 C ATOM 2389 CG HIS A 209 12.649 -2.808 -5.556 1.00 1.20 C ATOM 2390 ND1 HIS A 209 12.158 -3.968 -6.100 1.00 1.42 N ATOM 2391 CD2 HIS A 209 14.001 -2.823 -5.622 1.00 1.41 C ATOM 2392 CE1 HIS A 209 13.215 -4.660 -6.485 1.00 1.54 C ATOM 2393 NE2 HIS A 209 14.354 -4.007 -6.215 1.00 1.55 N ATOM 0 H HIS A 209 9.832 0.302 -5.371 1.00 0.69 H new ATOM 0 HA HIS A 209 12.761 -0.025 -5.655 1.00 0.82 H new ATOM 0 HB2 HIS A 209 12.015 -1.585 -3.948 1.00 1.02 H new ATOM 0 HB3 HIS A 209 10.719 -2.154 -4.980 1.00 1.02 H new ATOM 0 HD2 HIS A 209 14.672 -2.051 -5.275 1.00 1.41 H new ATOM 0 HE1 HIS A 209 13.168 -5.630 -6.958 1.00 1.54 H new ATOM 0 HE2 HIS A 209 15.301 -4.329 -6.413 1.00 1.55 H new ATOM 2401 N VAL A 210 12.276 -0.143 -8.085 1.00 1.14 N ATOM 2402 CA VAL A 210 12.134 -0.378 -9.510 1.00 1.45 C ATOM 2403 C VAL A 210 12.419 -1.841 -9.821 1.00 1.58 C ATOM 2404 O VAL A 210 13.496 -2.359 -9.521 1.00 1.82 O ATOM 2405 CB VAL A 210 13.073 0.527 -10.333 1.00 1.92 C ATOM 2406 CG1 VAL A 210 12.954 0.218 -11.817 1.00 2.56 C ATOM 2407 CG2 VAL A 210 12.768 1.994 -10.069 1.00 2.44 C ATOM 0 H VAL A 210 13.077 0.434 -7.830 1.00 1.14 H new ATOM 0 HA VAL A 210 11.109 -0.135 -9.790 1.00 1.45 H new ATOM 0 HB VAL A 210 14.098 0.326 -10.023 1.00 1.92 H new ATOM 0 HG11 VAL A 210 13.625 0.868 -12.379 1.00 2.56 H new ATOM 0 HG12 VAL A 210 13.224 -0.823 -11.995 1.00 2.56 H new ATOM 0 HG13 VAL A 210 11.928 0.387 -12.143 1.00 2.56 H new ATOM 0 HG21 VAL A 210 13.441 2.617 -10.658 1.00 2.44 H new ATOM 0 HG22 VAL A 210 11.736 2.207 -10.349 1.00 2.44 H new ATOM 0 HG23 VAL A 210 12.908 2.210 -9.010 1.00 2.44 H new