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 185 MET CE :methyl -137:sc= -0.137 (180deg=-0.427) USER MOD Set 1.2: A 194 TYR OH : rot 139:sc= 0.533 USER MOD Set 2.1: A 176 CYS SG : rot -65:sc= 1.25 USER MOD Set 2.2: A 177 SER OG : rot 180:sc=-0.00604 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+ -108:sc= 0.176 (180deg=-0.844) USER MOD Single : A 103 LYS NZ :NH3+ -142:sc= 1.23 (180deg=1.14) USER MOD Single : A 104 MET CE :methyl -145:sc= -3.11! (180deg=-4.18!) USER MOD Single : A 113 CYS SG : rot 0:sc= -1.71! USER MOD Single : A 167 SER OG : rot 180:sc= 0.00651 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 178 CYS SG : rot 180:sc= 0 USER MOD Single : A 181 GLN : amide:sc= -0.761 X(o=-0.76,f=-0.84) USER MOD Single : A 182 ASN : amide:sc= -9.35! C(o=-9.3!,f=-14!) USER MOD Single : A 184 THR OG1 : rot 1:sc= 0.462 USER MOD Single : A 186 CYS SG : rot 180:sc= -0.264 USER MOD Single : A 187 GLN : amide:sc= -1.52 K(o=-1.5,f=-2.1!) USER MOD Single : A 189 SER OG : rot 180:sc= 0 USER MOD Single : A 191 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 193 TYR OH : rot 15:sc=-0.00528 USER MOD Single : A 195 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 198 LYS NZ :NH3+ 176:sc= 0.47 (180deg=0.468) USER MOD Single : A 209 HIS :FLIP no HD1:sc= -0.0377 F(o=-0.58,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 388 N ILE A 78 -7.370 4.728 5.095 1.00 1.90 N ATOM 389 CA ILE A 78 -6.089 4.091 5.322 1.00 1.74 C ATOM 390 C ILE A 78 -5.440 4.625 6.592 1.00 1.48 C ATOM 391 O ILE A 78 -5.232 5.832 6.732 1.00 1.42 O ATOM 392 CB ILE A 78 -5.134 4.318 4.137 1.00 1.86 C ATOM 393 CG1 ILE A 78 -5.775 3.841 2.832 1.00 2.18 C ATOM 394 CG2 ILE A 78 -3.818 3.595 4.380 1.00 1.84 C ATOM 395 CD1 ILE A 78 -4.959 4.176 1.604 1.00 2.45 C ATOM 0 HA ILE A 78 -6.274 3.022 5.428 1.00 1.74 H new ATOM 0 HB ILE A 78 -4.935 5.386 4.049 1.00 1.86 H new ATOM 0 HG12 ILE A 78 -5.919 2.762 2.880 1.00 2.18 H new ATOM 0 HG13 ILE A 78 -6.763 4.290 2.736 1.00 2.18 H new ATOM 0 HG21 ILE A 78 -3.150 3.762 3.535 1.00 1.84 H new ATOM 0 HG22 ILE A 78 -3.356 3.977 5.290 1.00 1.84 H new ATOM 0 HG23 ILE A 78 -4.005 2.527 4.489 1.00 1.84 H new ATOM 0 HD11 ILE A 78 -5.472 3.809 0.715 1.00 2.45 H new ATOM 0 HD12 ILE A 78 -4.837 5.257 1.532 1.00 2.45 H new ATOM 0 HD13 ILE A 78 -3.979 3.704 1.678 1.00 2.45 H new ATOM 407 N PRO A 79 -5.126 3.740 7.542 1.00 1.44 N ATOM 408 CA PRO A 79 -4.420 4.123 8.755 1.00 1.27 C ATOM 409 C PRO A 79 -2.924 4.276 8.508 1.00 1.11 C ATOM 410 O PRO A 79 -2.229 3.311 8.179 1.00 1.23 O ATOM 411 CB PRO A 79 -4.702 2.961 9.701 1.00 1.50 C ATOM 412 CG PRO A 79 -4.890 1.777 8.811 1.00 1.75 C ATOM 413 CD PRO A 79 -5.448 2.299 7.513 1.00 1.70 C ATOM 0 HA PRO A 79 -4.745 5.087 9.146 1.00 1.27 H new ATOM 0 HB2 PRO A 79 -3.875 2.807 10.394 1.00 1.50 H new ATOM 0 HB3 PRO A 79 -5.592 3.148 10.302 1.00 1.50 H new ATOM 0 HG2 PRO A 79 -3.944 1.262 8.647 1.00 1.75 H new ATOM 0 HG3 PRO A 79 -5.571 1.056 9.264 1.00 1.75 H new ATOM 0 HD2 PRO A 79 -4.992 1.805 6.655 1.00 1.70 H new ATOM 0 HD3 PRO A 79 -6.523 2.131 7.444 1.00 1.70 H new ATOM 421 N ILE A 80 -2.430 5.492 8.671 1.00 0.93 N ATOM 422 CA ILE A 80 -1.026 5.777 8.445 1.00 0.82 C ATOM 423 C ILE A 80 -0.351 6.157 9.761 1.00 0.72 C ATOM 424 O ILE A 80 -1.023 6.585 10.702 1.00 0.74 O ATOM 425 CB ILE A 80 -0.814 6.913 7.407 1.00 0.86 C ATOM 426 CG1 ILE A 80 -1.287 8.273 7.944 1.00 0.89 C ATOM 427 CG2 ILE A 80 -1.538 6.586 6.110 1.00 1.01 C ATOM 428 CD1 ILE A 80 -2.788 8.480 7.898 1.00 0.99 C ATOM 0 H ILE A 80 -2.984 6.299 8.960 1.00 0.93 H new ATOM 0 HA ILE A 80 -0.575 4.871 8.041 1.00 0.82 H new ATOM 0 HB ILE A 80 0.257 6.984 7.215 1.00 0.86 H new ATOM 0 HG12 ILE A 80 -0.950 8.379 8.975 1.00 0.89 H new ATOM 0 HG13 ILE A 80 -0.806 9.064 7.368 1.00 0.89 H new ATOM 0 HG21 ILE A 80 -1.380 7.391 5.392 1.00 1.01 H new ATOM 0 HG22 ILE A 80 -1.148 5.654 5.701 1.00 1.01 H new ATOM 0 HG23 ILE A 80 -2.605 6.478 6.306 1.00 1.01 H new ATOM 0 HD11 ILE A 80 -3.032 9.465 8.296 1.00 0.99 H new ATOM 0 HD12 ILE A 80 -3.134 8.409 6.867 1.00 0.99 H new ATOM 0 HD13 ILE A 80 -3.279 7.714 8.498 1.00 0.99 H new ATOM 440 N PRO A 81 0.975 5.974 9.855 1.00 0.68 N ATOM 441 CA PRO A 81 1.744 6.342 11.048 1.00 0.67 C ATOM 442 C PRO A 81 1.709 7.845 11.305 1.00 0.64 C ATOM 443 O PRO A 81 1.535 8.646 10.382 1.00 0.61 O ATOM 444 CB PRO A 81 3.172 5.890 10.720 1.00 0.69 C ATOM 445 CG PRO A 81 3.029 4.928 9.593 1.00 0.71 C ATOM 446 CD PRO A 81 1.830 5.381 8.816 1.00 0.73 C ATOM 0 HA PRO A 81 1.341 5.881 11.950 1.00 0.67 H new ATOM 0 HB2 PRO A 81 3.798 6.737 10.438 1.00 0.69 H new ATOM 0 HB3 PRO A 81 3.643 5.419 11.582 1.00 0.69 H new ATOM 0 HG2 PRO A 81 3.921 4.924 8.967 1.00 0.71 H new ATOM 0 HG3 PRO A 81 2.894 3.911 9.962 1.00 0.71 H new ATOM 0 HD2 PRO A 81 2.096 6.107 8.048 1.00 0.73 H new ATOM 0 HD3 PRO A 81 1.337 4.550 8.312 1.00 0.73 H new ATOM 454 N ALA A 82 1.902 8.216 12.564 1.00 0.75 N ATOM 455 CA ALA A 82 1.764 9.599 13.006 1.00 0.80 C ATOM 456 C ALA A 82 2.812 10.517 12.385 1.00 0.71 C ATOM 457 O ALA A 82 2.714 11.734 12.496 1.00 0.78 O ATOM 458 CB ALA A 82 1.844 9.671 14.522 1.00 1.04 C ATOM 0 H ALA A 82 2.159 7.567 13.308 1.00 0.75 H new ATOM 0 HA ALA A 82 0.788 9.949 12.670 1.00 0.80 H new ATOM 0 HB1 ALA A 82 1.740 10.707 14.843 1.00 1.04 H new ATOM 0 HB2 ALA A 82 1.043 9.074 14.957 1.00 1.04 H new ATOM 0 HB3 ALA A 82 2.807 9.283 14.854 1.00 1.04 H new ATOM 464 N ASP A 83 3.805 9.944 11.721 1.00 0.67 N ATOM 465 CA ASP A 83 4.859 10.746 11.109 1.00 0.70 C ATOM 466 C ASP A 83 4.694 10.830 9.606 1.00 0.55 C ATOM 467 O ASP A 83 5.557 11.359 8.919 1.00 0.60 O ATOM 468 CB ASP A 83 6.239 10.182 11.437 1.00 0.88 C ATOM 469 CG ASP A 83 6.504 10.131 12.922 1.00 1.05 C ATOM 470 OD1 ASP A 83 6.379 11.183 13.589 1.00 1.39 O ATOM 471 OD2 ASP A 83 6.832 9.041 13.432 1.00 1.66 O ATOM 0 H ASP A 83 3.905 8.937 11.592 1.00 0.67 H new ATOM 0 HA ASP A 83 4.775 11.750 11.525 1.00 0.70 H new ATOM 0 HB2 ASP A 83 6.326 9.178 11.021 1.00 0.88 H new ATOM 0 HB3 ASP A 83 7.002 10.794 10.956 1.00 0.88 H new ATOM 476 N PHE A 84 3.584 10.330 9.097 1.00 0.45 N ATOM 477 CA PHE A 84 3.316 10.387 7.669 1.00 0.41 C ATOM 478 C PHE A 84 1.910 10.883 7.436 1.00 0.40 C ATOM 479 O PHE A 84 0.983 10.490 8.141 1.00 0.56 O ATOM 480 CB PHE A 84 3.520 9.017 7.011 1.00 0.42 C ATOM 481 CG PHE A 84 4.945 8.556 7.047 1.00 0.56 C ATOM 482 CD1 PHE A 84 5.433 7.855 8.137 1.00 0.66 C ATOM 483 CD2 PHE A 84 5.801 8.838 5.997 1.00 0.79 C ATOM 484 CE1 PHE A 84 6.749 7.447 8.181 1.00 0.87 C ATOM 485 CE2 PHE A 84 7.118 8.430 6.033 1.00 0.98 C ATOM 486 CZ PHE A 84 7.592 7.734 7.127 1.00 1.00 C ATOM 0 H PHE A 84 2.853 9.880 9.648 1.00 0.45 H new ATOM 0 HA PHE A 84 4.021 11.080 7.211 1.00 0.41 H new ATOM 0 HB2 PHE A 84 2.893 8.281 7.515 1.00 0.42 H new ATOM 0 HB3 PHE A 84 3.185 9.065 5.975 1.00 0.42 H new ATOM 0 HD1 PHE A 84 4.775 7.625 8.962 1.00 0.66 H new ATOM 0 HD2 PHE A 84 5.434 9.383 5.140 1.00 0.79 H new ATOM 0 HE1 PHE A 84 7.119 6.904 9.038 1.00 0.87 H new ATOM 0 HE2 PHE A 84 7.777 8.654 5.207 1.00 0.98 H new ATOM 0 HZ PHE A 84 8.623 7.414 7.158 1.00 1.00 H new ATOM 496 N GLU A 85 1.749 11.776 6.482 1.00 0.39 N ATOM 497 CA GLU A 85 0.439 12.312 6.197 1.00 0.44 C ATOM 498 C GLU A 85 0.109 12.173 4.720 1.00 0.39 C ATOM 499 O GLU A 85 0.846 12.657 3.860 1.00 0.40 O ATOM 500 CB GLU A 85 0.346 13.776 6.635 1.00 0.61 C ATOM 501 CG GLU A 85 -1.033 14.387 6.449 1.00 1.15 C ATOM 502 CD GLU A 85 -1.138 15.775 7.043 1.00 1.60 C ATOM 503 OE1 GLU A 85 -1.409 15.889 8.257 1.00 1.88 O ATOM 504 OE2 GLU A 85 -0.952 16.761 6.300 1.00 2.27 O ATOM 0 H GLU A 85 2.501 12.141 5.898 1.00 0.39 H new ATOM 0 HA GLU A 85 -0.293 11.738 6.765 1.00 0.44 H new ATOM 0 HB2 GLU A 85 0.627 13.849 7.686 1.00 0.61 H new ATOM 0 HB3 GLU A 85 1.071 14.361 6.070 1.00 0.61 H new ATOM 0 HG2 GLU A 85 -1.266 14.432 5.385 1.00 1.15 H new ATOM 0 HG3 GLU A 85 -1.779 13.740 6.911 1.00 1.15 H new ATOM 511 N LEU A 86 -0.995 11.503 4.437 1.00 0.41 N ATOM 512 CA LEU A 86 -1.454 11.336 3.074 1.00 0.43 C ATOM 513 C LEU A 86 -2.312 12.523 2.710 1.00 0.44 C ATOM 514 O LEU A 86 -3.275 12.846 3.406 1.00 0.48 O ATOM 515 CB LEU A 86 -2.244 10.034 2.915 1.00 0.52 C ATOM 516 CG LEU A 86 -2.496 9.588 1.468 1.00 0.59 C ATOM 517 CD1 LEU A 86 -2.762 8.100 1.422 1.00 0.79 C ATOM 518 CD2 LEU A 86 -3.667 10.341 0.849 1.00 0.70 C ATOM 0 H LEU A 86 -1.591 11.065 5.139 1.00 0.41 H new ATOM 0 HA LEU A 86 -0.595 11.278 2.406 1.00 0.43 H new ATOM 0 HB2 LEU A 86 -1.709 9.239 3.434 1.00 0.52 H new ATOM 0 HB3 LEU A 86 -3.206 10.150 3.414 1.00 0.52 H new ATOM 0 HG LEU A 86 -1.602 9.816 0.888 1.00 0.59 H new ATOM 0 HD11 LEU A 86 -2.940 7.794 0.391 1.00 0.79 H new ATOM 0 HD12 LEU A 86 -1.899 7.564 1.816 1.00 0.79 H new ATOM 0 HD13 LEU A 86 -3.640 7.868 2.025 1.00 0.79 H new ATOM 0 HD21 LEU A 86 -3.818 10.001 -0.175 1.00 0.70 H new ATOM 0 HD22 LEU A 86 -4.569 10.152 1.431 1.00 0.70 H new ATOM 0 HD23 LEU A 86 -3.453 11.410 0.848 1.00 0.70 H new ATOM 530 N ARG A 87 -1.948 13.167 1.631 1.00 0.47 N ATOM 531 CA ARG A 87 -2.594 14.389 1.216 1.00 0.55 C ATOM 532 C ARG A 87 -2.205 14.713 -0.215 1.00 0.61 C ATOM 533 O ARG A 87 -1.029 14.625 -0.583 1.00 0.66 O ATOM 534 CB ARG A 87 -2.200 15.521 2.163 1.00 0.62 C ATOM 535 CG ARG A 87 -0.704 15.662 2.347 1.00 0.69 C ATOM 536 CD ARG A 87 -0.341 16.866 3.202 1.00 1.04 C ATOM 537 NE ARG A 87 -0.747 18.132 2.593 1.00 1.63 N ATOM 538 CZ ARG A 87 -0.327 19.324 3.014 1.00 2.32 C ATOM 539 NH1 ARG A 87 0.516 19.416 4.036 1.00 2.62 N ATOM 540 NH2 ARG A 87 -0.753 20.426 2.412 1.00 3.21 N ATOM 0 H ARG A 87 -1.196 12.860 1.014 1.00 0.47 H new ATOM 0 HA ARG A 87 -3.677 14.268 1.256 1.00 0.55 H new ATOM 0 HB2 ARG A 87 -2.601 16.460 1.781 1.00 0.62 H new ATOM 0 HB3 ARG A 87 -2.663 15.349 3.135 1.00 0.62 H new ATOM 0 HG2 ARG A 87 -0.310 14.758 2.810 1.00 0.69 H new ATOM 0 HG3 ARG A 87 -0.227 15.754 1.371 1.00 0.69 H new ATOM 0 HD2 ARG A 87 -0.814 16.769 4.179 1.00 1.04 H new ATOM 0 HD3 ARG A 87 0.736 16.877 3.369 1.00 1.04 H new ATOM 0 HE ARG A 87 -1.388 18.101 1.801 1.00 1.63 H new ATOM 0 HH11 ARG A 87 0.845 18.571 4.503 1.00 2.62 H new ATOM 0 HH12 ARG A 87 0.834 20.332 4.354 1.00 2.62 H new ATOM 0 HH21 ARG A 87 -1.402 20.360 1.628 1.00 3.21 H new ATOM 0 HH22 ARG A 87 -0.432 21.339 2.733 1.00 3.21 H new ATOM 554 N GLU A 88 -3.194 15.062 -1.017 1.00 0.73 N ATOM 555 CA GLU A 88 -2.971 15.360 -2.415 1.00 0.84 C ATOM 556 C GLU A 88 -2.088 16.593 -2.556 1.00 0.87 C ATOM 557 O GLU A 88 -2.491 17.705 -2.212 1.00 0.98 O ATOM 558 CB GLU A 88 -4.309 15.579 -3.122 1.00 1.06 C ATOM 559 CG GLU A 88 -4.184 15.798 -4.617 1.00 1.61 C ATOM 560 CD GLU A 88 -5.523 16.020 -5.279 1.00 1.96 C ATOM 561 OE1 GLU A 88 -5.977 17.179 -5.329 1.00 2.46 O ATOM 562 OE2 GLU A 88 -6.130 15.034 -5.754 1.00 2.21 O ATOM 0 H GLU A 88 -4.166 15.146 -0.719 1.00 0.73 H new ATOM 0 HA GLU A 88 -2.463 14.515 -2.880 1.00 0.84 H new ATOM 0 HB2 GLU A 88 -4.949 14.715 -2.943 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -4.807 16.441 -2.678 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -3.542 16.659 -4.803 1.00 1.61 H new ATOM 0 HG3 GLU A 88 -3.697 14.934 -5.069 1.00 1.61 H new ATOM 569 N SER A 89 -0.882 16.377 -3.046 1.00 0.85 N ATOM 570 CA SER A 89 0.075 17.446 -3.254 1.00 0.95 C ATOM 571 C SER A 89 0.942 17.097 -4.456 1.00 0.90 C ATOM 572 O SER A 89 1.936 16.383 -4.331 1.00 1.11 O ATOM 573 CB SER A 89 0.931 17.631 -1.995 1.00 1.03 C ATOM 574 OG SER A 89 1.770 18.769 -2.092 1.00 1.58 O ATOM 0 H SER A 89 -0.538 15.454 -3.311 1.00 0.85 H new ATOM 0 HA SER A 89 -0.444 18.385 -3.448 1.00 0.95 H new ATOM 0 HB2 SER A 89 0.282 17.731 -1.125 1.00 1.03 H new ATOM 0 HB3 SER A 89 1.541 16.742 -1.836 1.00 1.03 H new ATOM 0 HG SER A 89 2.299 18.856 -1.272 1.00 1.58 H new ATOM 580 N SER A 90 0.535 17.573 -5.623 1.00 0.86 N ATOM 581 CA SER A 90 1.190 17.214 -6.866 1.00 0.88 C ATOM 582 C SER A 90 2.553 17.884 -6.974 1.00 0.87 C ATOM 583 O SER A 90 2.654 19.085 -7.227 1.00 1.02 O ATOM 584 CB SER A 90 0.304 17.606 -8.054 1.00 1.13 C ATOM 585 OG SER A 90 0.828 17.121 -9.278 1.00 1.86 O ATOM 0 H SER A 90 -0.252 18.213 -5.732 1.00 0.86 H new ATOM 0 HA SER A 90 1.344 16.135 -6.879 1.00 0.88 H new ATOM 0 HB2 SER A 90 -0.701 17.210 -7.905 1.00 1.13 H new ATOM 0 HB3 SER A 90 0.216 18.691 -8.100 1.00 1.13 H new ATOM 0 HG SER A 90 0.239 17.387 -10.014 1.00 1.86 H new ATOM 591 N ILE A 91 3.599 17.100 -6.764 1.00 0.86 N ATOM 592 CA ILE A 91 4.959 17.575 -6.932 1.00 1.01 C ATOM 593 C ILE A 91 5.545 16.991 -8.219 1.00 1.09 C ATOM 594 O ILE A 91 5.692 15.771 -8.352 1.00 1.08 O ATOM 595 CB ILE A 91 5.831 17.238 -5.686 1.00 1.10 C ATOM 596 CG1 ILE A 91 7.298 17.675 -5.869 1.00 1.35 C ATOM 597 CG2 ILE A 91 5.740 15.759 -5.340 1.00 1.07 C ATOM 598 CD1 ILE A 91 8.199 16.647 -6.529 1.00 1.45 C ATOM 0 H ILE A 91 3.528 16.124 -6.475 1.00 0.86 H new ATOM 0 HA ILE A 91 4.953 18.661 -7.019 1.00 1.01 H new ATOM 0 HB ILE A 91 5.429 17.810 -4.849 1.00 1.10 H new ATOM 0 HG12 ILE A 91 7.317 18.588 -6.465 1.00 1.35 H new ATOM 0 HG13 ILE A 91 7.711 17.923 -4.892 1.00 1.35 H new ATOM 0 HG21 ILE A 91 6.358 15.551 -4.467 1.00 1.07 H new ATOM 0 HG22 ILE A 91 4.704 15.499 -5.122 1.00 1.07 H new ATOM 0 HG23 ILE A 91 6.093 15.166 -6.184 1.00 1.07 H new ATOM 0 HD11 ILE A 91 9.209 17.048 -6.612 1.00 1.45 H new ATOM 0 HD12 ILE A 91 8.218 15.739 -5.926 1.00 1.45 H new ATOM 0 HD13 ILE A 91 7.818 16.414 -7.523 1.00 1.45 H new ATOM 610 N PRO A 92 5.839 17.864 -9.197 1.00 1.24 N ATOM 611 CA PRO A 92 6.369 17.460 -10.505 1.00 1.37 C ATOM 612 C PRO A 92 7.611 16.584 -10.393 1.00 1.47 C ATOM 613 O PRO A 92 8.628 16.994 -9.828 1.00 1.61 O ATOM 614 CB PRO A 92 6.719 18.787 -11.178 1.00 1.58 C ATOM 615 CG PRO A 92 5.841 19.792 -10.523 1.00 1.59 C ATOM 616 CD PRO A 92 5.664 19.326 -9.106 1.00 1.37 C ATOM 0 HA PRO A 92 5.648 16.859 -11.059 1.00 1.37 H new ATOM 0 HB2 PRO A 92 7.772 19.034 -11.041 1.00 1.58 H new ATOM 0 HB3 PRO A 92 6.538 18.745 -12.252 1.00 1.58 H new ATOM 0 HG2 PRO A 92 6.292 20.784 -10.554 1.00 1.59 H new ATOM 0 HG3 PRO A 92 4.880 19.863 -11.033 1.00 1.59 H new ATOM 0 HD2 PRO A 92 6.400 19.777 -8.441 1.00 1.37 H new ATOM 0 HD3 PRO A 92 4.680 19.589 -8.718 1.00 1.37 H new ATOM 624 N GLY A 93 7.520 15.379 -10.935 1.00 1.47 N ATOM 625 CA GLY A 93 8.641 14.467 -10.915 1.00 1.62 C ATOM 626 C GLY A 93 8.430 13.313 -9.958 1.00 1.58 C ATOM 627 O GLY A 93 9.182 12.338 -9.979 1.00 1.74 O ATOM 0 H GLY A 93 6.683 15.016 -11.391 1.00 1.47 H new ATOM 0 HA2 GLY A 93 8.806 14.077 -11.919 1.00 1.62 H new ATOM 0 HA3 GLY A 93 9.543 15.010 -10.632 1.00 1.62 H new ATOM 631 N ALA A 94 7.404 13.411 -9.123 1.00 1.40 N ATOM 632 CA ALA A 94 7.118 12.357 -8.165 1.00 1.40 C ATOM 633 C ALA A 94 5.638 11.988 -8.166 1.00 1.27 C ATOM 634 O ALA A 94 5.260 10.917 -8.645 1.00 1.38 O ATOM 635 CB ALA A 94 7.579 12.758 -6.772 1.00 1.41 C ATOM 0 H ALA A 94 6.762 14.203 -9.091 1.00 1.40 H new ATOM 0 HA ALA A 94 7.676 11.471 -8.468 1.00 1.40 H new ATOM 0 HB1 ALA A 94 7.356 11.955 -6.070 1.00 1.41 H new ATOM 0 HB2 ALA A 94 8.653 12.942 -6.783 1.00 1.41 H new ATOM 0 HB3 ALA A 94 7.059 13.665 -6.464 1.00 1.41 H new ATOM 641 N GLY A 95 4.797 12.876 -7.648 1.00 1.09 N ATOM 642 CA GLY A 95 3.377 12.597 -7.576 1.00 1.02 C ATOM 643 C GLY A 95 2.825 12.754 -6.170 1.00 0.91 C ATOM 644 O GLY A 95 3.323 13.565 -5.394 1.00 1.02 O ATOM 0 H GLY A 95 5.075 13.785 -7.277 1.00 1.09 H new ATOM 0 HA2 GLY A 95 2.843 13.268 -8.250 1.00 1.02 H new ATOM 0 HA3 GLY A 95 3.191 11.581 -7.925 1.00 1.02 H new ATOM 648 N LEU A 96 1.794 11.978 -5.846 1.00 0.79 N ATOM 649 CA LEU A 96 1.135 12.063 -4.544 1.00 0.70 C ATOM 650 C LEU A 96 1.523 10.898 -3.643 1.00 0.65 C ATOM 651 O LEU A 96 1.318 9.739 -4.004 1.00 0.99 O ATOM 652 CB LEU A 96 -0.377 12.049 -4.740 1.00 0.77 C ATOM 653 CG LEU A 96 -0.856 12.803 -5.974 1.00 1.35 C ATOM 654 CD1 LEU A 96 -2.363 12.682 -6.123 1.00 2.05 C ATOM 655 CD2 LEU A 96 -0.442 14.259 -5.895 1.00 2.31 C ATOM 0 H LEU A 96 1.394 11.278 -6.471 1.00 0.79 H new ATOM 0 HA LEU A 96 1.454 12.990 -4.068 1.00 0.70 H new ATOM 0 HB2 LEU A 96 -0.713 11.014 -4.807 1.00 0.77 H new ATOM 0 HB3 LEU A 96 -0.850 12.481 -3.858 1.00 0.77 H new ATOM 0 HG LEU A 96 -0.390 12.359 -6.854 1.00 1.35 H new ATOM 0 HD11 LEU A 96 -2.686 13.227 -7.010 1.00 2.05 H new ATOM 0 HD12 LEU A 96 -2.635 11.631 -6.224 1.00 2.05 H new ATOM 0 HD13 LEU A 96 -2.850 13.101 -5.242 1.00 2.05 H new ATOM 0 HD21 LEU A 96 -0.791 14.785 -6.783 1.00 2.31 H new ATOM 0 HD22 LEU A 96 -0.881 14.714 -5.007 1.00 2.31 H new ATOM 0 HD23 LEU A 96 0.644 14.326 -5.837 1.00 2.31 H new ATOM 667 N GLY A 97 2.066 11.210 -2.476 1.00 0.59 N ATOM 668 CA GLY A 97 2.433 10.178 -1.529 1.00 0.57 C ATOM 669 C GLY A 97 2.067 10.551 -0.107 1.00 0.52 C ATOM 670 O GLY A 97 1.143 11.339 0.118 1.00 0.55 O ATOM 0 H GLY A 97 2.260 12.163 -2.167 1.00 0.59 H new ATOM 0 HA2 GLY A 97 1.935 9.246 -1.798 1.00 0.57 H new ATOM 0 HA3 GLY A 97 3.506 9.996 -1.590 1.00 0.57 H new ATOM 674 N VAL A 98 2.790 9.993 0.855 1.00 0.48 N ATOM 675 CA VAL A 98 2.578 10.320 2.257 1.00 0.46 C ATOM 676 C VAL A 98 3.784 11.078 2.800 1.00 0.47 C ATOM 677 O VAL A 98 4.882 10.542 2.935 1.00 0.67 O ATOM 678 CB VAL A 98 2.288 9.074 3.134 1.00 0.47 C ATOM 679 CG1 VAL A 98 1.006 8.393 2.679 1.00 0.49 C ATOM 680 CG2 VAL A 98 3.442 8.086 3.110 1.00 0.53 C ATOM 0 H VAL A 98 3.530 9.311 0.689 1.00 0.48 H new ATOM 0 HA VAL A 98 1.689 10.949 2.307 1.00 0.46 H new ATOM 0 HB VAL A 98 2.167 9.418 4.161 1.00 0.47 H new ATOM 0 HG11 VAL A 98 0.816 7.520 3.304 1.00 0.49 H new ATOM 0 HG12 VAL A 98 0.173 9.090 2.766 1.00 0.49 H new ATOM 0 HG13 VAL A 98 1.109 8.080 1.640 1.00 0.49 H new ATOM 0 HG21 VAL A 98 3.199 7.228 3.736 1.00 0.53 H new ATOM 0 HG22 VAL A 98 3.613 7.752 2.087 1.00 0.53 H new ATOM 0 HG23 VAL A 98 4.342 8.569 3.489 1.00 0.53 H new ATOM 690 N TRP A 99 3.575 12.336 3.114 1.00 0.38 N ATOM 691 CA TRP A 99 4.672 13.210 3.473 1.00 0.39 C ATOM 692 C TRP A 99 5.047 13.033 4.937 1.00 0.35 C ATOM 693 O TRP A 99 4.221 13.228 5.832 1.00 0.38 O ATOM 694 CB TRP A 99 4.295 14.658 3.168 1.00 0.44 C ATOM 695 CG TRP A 99 3.637 14.800 1.828 1.00 0.50 C ATOM 696 CD1 TRP A 99 2.329 15.095 1.589 1.00 0.66 C ATOM 697 CD2 TRP A 99 4.248 14.619 0.544 1.00 0.62 C ATOM 698 NE1 TRP A 99 2.086 15.116 0.238 1.00 0.69 N ATOM 699 CE2 TRP A 99 3.249 14.829 -0.424 1.00 0.66 C ATOM 700 CE3 TRP A 99 5.541 14.304 0.119 1.00 0.88 C ATOM 701 CZ2 TRP A 99 3.504 14.733 -1.791 1.00 0.82 C ATOM 702 CZ3 TRP A 99 5.793 14.209 -1.236 1.00 1.13 C ATOM 703 CH2 TRP A 99 4.779 14.424 -2.177 1.00 1.06 C ATOM 0 H TRP A 99 2.656 12.778 3.129 1.00 0.38 H new ATOM 0 HA TRP A 99 5.547 12.947 2.879 1.00 0.39 H new ATOM 0 HB2 TRP A 99 3.623 15.028 3.942 1.00 0.44 H new ATOM 0 HB3 TRP A 99 5.190 15.279 3.199 1.00 0.44 H new ATOM 0 HD1 TRP A 99 1.589 15.285 2.353 1.00 0.66 H new ATOM 0 HE1 TRP A 99 1.186 15.313 -0.200 1.00 0.69 H new ATOM 0 HE3 TRP A 99 6.330 14.138 0.837 1.00 0.88 H new ATOM 0 HZ2 TRP A 99 2.723 14.897 -2.519 1.00 0.82 H new ATOM 0 HZ3 TRP A 99 6.789 13.965 -1.575 1.00 1.13 H new ATOM 0 HH2 TRP A 99 5.008 14.344 -3.229 1.00 1.06 H new ATOM 714 N ALA A 100 6.285 12.612 5.161 1.00 0.39 N ATOM 715 CA ALA A 100 6.812 12.435 6.504 1.00 0.42 C ATOM 716 C ALA A 100 6.920 13.776 7.211 1.00 0.43 C ATOM 717 O ALA A 100 7.646 14.658 6.764 1.00 0.49 O ATOM 718 CB ALA A 100 8.172 11.747 6.456 1.00 0.54 C ATOM 0 H ALA A 100 6.948 12.385 4.420 1.00 0.39 H new ATOM 0 HA ALA A 100 6.125 11.802 7.065 1.00 0.42 H new ATOM 0 HB1 ALA A 100 8.553 11.622 7.470 1.00 0.54 H new ATOM 0 HB2 ALA A 100 8.069 10.770 5.984 1.00 0.54 H new ATOM 0 HB3 ALA A 100 8.868 12.357 5.880 1.00 0.54 H new ATOM 724 N LYS A 101 6.190 13.936 8.308 1.00 0.47 N ATOM 725 CA LYS A 101 6.199 15.188 9.047 1.00 0.57 C ATOM 726 C LYS A 101 7.308 15.172 10.088 1.00 0.56 C ATOM 727 O LYS A 101 7.547 16.157 10.789 1.00 0.63 O ATOM 728 CB LYS A 101 4.839 15.431 9.701 1.00 0.69 C ATOM 729 CG LYS A 101 3.672 15.186 8.758 1.00 1.17 C ATOM 730 CD LYS A 101 3.064 13.809 8.975 1.00 0.84 C ATOM 731 CE LYS A 101 2.166 13.802 10.189 1.00 0.88 C ATOM 732 NZ LYS A 101 1.350 12.565 10.295 1.00 1.68 N ATOM 0 H LYS A 101 5.586 13.215 8.703 1.00 0.47 H new ATOM 0 HA LYS A 101 6.391 16.007 8.353 1.00 0.57 H new ATOM 0 HB2 LYS A 101 4.739 14.781 10.570 1.00 0.69 H new ATOM 0 HB3 LYS A 101 4.795 16.458 10.064 1.00 0.69 H new ATOM 0 HG2 LYS A 101 2.910 15.950 8.913 1.00 1.17 H new ATOM 0 HG3 LYS A 101 4.011 15.278 7.726 1.00 1.17 H new ATOM 0 HD2 LYS A 101 2.493 13.516 8.094 1.00 0.84 H new ATOM 0 HD3 LYS A 101 3.857 13.072 9.100 1.00 0.84 H new ATOM 0 HE2 LYS A 101 2.775 13.908 11.087 1.00 0.88 H new ATOM 0 HE3 LYS A 101 1.503 14.667 10.150 1.00 0.88 H new ATOM 0 HZ1 LYS A 101 0.357 12.784 10.077 1.00 1.68 H new ATOM 0 HZ2 LYS A 101 1.704 11.857 9.621 1.00 1.68 H new ATOM 0 HZ3 LYS A 101 1.416 12.187 11.262 1.00 1.68 H new ATOM 746 N ARG A 102 7.980 14.037 10.178 1.00 0.54 N ATOM 747 CA ARG A 102 9.130 13.880 11.050 1.00 0.58 C ATOM 748 C ARG A 102 10.300 13.378 10.221 1.00 0.54 C ATOM 749 O ARG A 102 10.097 12.787 9.161 1.00 0.54 O ATOM 750 CB ARG A 102 8.834 12.876 12.170 1.00 0.72 C ATOM 751 CG ARG A 102 9.926 12.807 13.220 1.00 0.83 C ATOM 752 CD ARG A 102 9.739 11.624 14.149 1.00 1.16 C ATOM 753 NE ARG A 102 8.556 11.753 14.997 1.00 1.80 N ATOM 754 CZ ARG A 102 8.595 11.925 16.320 1.00 2.52 C ATOM 755 NH1 ARG A 102 9.760 12.065 16.943 1.00 2.75 N ATOM 756 NH2 ARG A 102 7.468 11.961 17.019 1.00 3.50 N ATOM 0 H ARG A 102 7.743 13.198 9.648 1.00 0.54 H new ATOM 0 HA ARG A 102 9.366 14.842 11.506 1.00 0.58 H new ATOM 0 HB2 ARG A 102 7.894 13.146 12.651 1.00 0.72 H new ATOM 0 HB3 ARG A 102 8.696 11.887 11.734 1.00 0.72 H new ATOM 0 HG2 ARG A 102 10.897 12.735 12.730 1.00 0.83 H new ATOM 0 HG3 ARG A 102 9.930 13.729 13.802 1.00 0.83 H new ATOM 0 HD2 ARG A 102 9.659 10.712 13.557 1.00 1.16 H new ATOM 0 HD3 ARG A 102 10.622 11.519 14.779 1.00 1.16 H new ATOM 0 HE ARG A 102 7.641 11.709 14.549 1.00 1.80 H new ATOM 0 HH11 ARG A 102 10.629 12.041 16.410 1.00 2.75 H new ATOM 0 HH12 ARG A 102 9.785 12.196 17.954 1.00 2.75 H new ATOM 0 HH21 ARG A 102 6.571 11.857 16.545 1.00 3.50 H new ATOM 0 HH22 ARG A 102 7.499 12.092 18.030 1.00 3.50 H new ATOM 770 N LYS A 103 11.517 13.609 10.692 1.00 0.59 N ATOM 771 CA LYS A 103 12.684 13.123 9.992 1.00 0.63 C ATOM 772 C LYS A 103 12.961 11.678 10.376 1.00 0.68 C ATOM 773 O LYS A 103 12.493 11.192 11.409 1.00 0.82 O ATOM 774 CB LYS A 103 13.914 14.017 10.252 1.00 0.73 C ATOM 775 CG LYS A 103 14.188 14.377 11.713 1.00 0.98 C ATOM 776 CD LYS A 103 14.318 13.155 12.604 1.00 1.17 C ATOM 777 CE LYS A 103 15.084 13.469 13.876 1.00 2.05 C ATOM 778 NZ LYS A 103 15.156 12.303 14.801 1.00 2.40 N ATOM 0 H LYS A 103 11.715 14.126 11.549 1.00 0.59 H new ATOM 0 HA LYS A 103 12.481 13.164 8.922 1.00 0.63 H new ATOM 0 HB2 LYS A 103 14.794 13.514 9.852 1.00 0.73 H new ATOM 0 HB3 LYS A 103 13.791 14.942 9.688 1.00 0.73 H new ATOM 0 HG2 LYS A 103 15.105 14.964 11.772 1.00 0.98 H new ATOM 0 HG3 LYS A 103 13.381 15.008 12.085 1.00 0.98 H new ATOM 0 HD2 LYS A 103 13.326 12.783 12.859 1.00 1.17 H new ATOM 0 HD3 LYS A 103 14.827 12.360 12.059 1.00 1.17 H new ATOM 0 HE2 LYS A 103 16.094 13.788 13.619 1.00 2.05 H new ATOM 0 HE3 LYS A 103 14.606 14.305 14.387 1.00 2.05 H new ATOM 0 HZ1 LYS A 103 15.067 12.633 15.783 1.00 2.40 H new ATOM 0 HZ2 LYS A 103 14.383 11.641 14.587 1.00 2.40 H new ATOM 0 HZ3 LYS A 103 16.069 11.820 14.680 1.00 2.40 H new ATOM 792 N MET A 104 13.704 10.992 9.539 1.00 0.73 N ATOM 793 CA MET A 104 14.096 9.625 9.816 1.00 0.83 C ATOM 794 C MET A 104 15.593 9.478 9.665 1.00 0.87 C ATOM 795 O MET A 104 16.227 10.252 8.951 1.00 0.93 O ATOM 796 CB MET A 104 13.361 8.651 8.905 1.00 0.85 C ATOM 797 CG MET A 104 11.915 8.421 9.312 1.00 0.97 C ATOM 798 SD MET A 104 10.993 7.479 8.086 1.00 1.22 S ATOM 799 CE MET A 104 11.154 8.572 6.679 1.00 0.92 C ATOM 0 H MET A 104 14.053 11.359 8.654 1.00 0.73 H new ATOM 0 HA MET A 104 13.822 9.386 10.844 1.00 0.83 H new ATOM 0 HB2 MET A 104 13.388 9.030 7.883 1.00 0.85 H new ATOM 0 HB3 MET A 104 13.887 7.697 8.905 1.00 0.85 H new ATOM 0 HG2 MET A 104 11.889 7.893 10.265 1.00 0.97 H new ATOM 0 HG3 MET A 104 11.428 9.383 9.467 1.00 0.97 H new ATOM 0 HE1 MET A 104 10.241 8.536 6.084 1.00 0.92 H new ATOM 0 HE2 MET A 104 11.321 9.591 7.027 1.00 0.92 H new ATOM 0 HE3 MET A 104 11.998 8.255 6.067 1.00 0.92 H new ATOM 809 N GLU A 105 16.150 8.514 10.374 1.00 0.90 N ATOM 810 CA GLU A 105 17.583 8.288 10.387 1.00 0.93 C ATOM 811 C GLU A 105 17.891 6.882 9.891 1.00 0.89 C ATOM 812 O GLU A 105 17.205 5.928 10.264 1.00 1.13 O ATOM 813 CB GLU A 105 18.104 8.495 11.808 1.00 1.08 C ATOM 814 CG GLU A 105 17.863 9.904 12.324 1.00 1.64 C ATOM 815 CD GLU A 105 17.959 10.005 13.828 1.00 1.94 C ATOM 816 OE1 GLU A 105 16.927 10.293 14.472 1.00 2.25 O ATOM 817 OE2 GLU A 105 19.060 9.797 14.376 1.00 2.31 O ATOM 0 H GLU A 105 15.621 7.865 10.957 1.00 0.90 H new ATOM 0 HA GLU A 105 18.079 8.994 9.722 1.00 0.93 H new ATOM 0 HB2 GLU A 105 17.621 7.781 12.475 1.00 1.08 H new ATOM 0 HB3 GLU A 105 19.173 8.282 11.833 1.00 1.08 H new ATOM 0 HG2 GLU A 105 18.590 10.580 11.873 1.00 1.64 H new ATOM 0 HG3 GLU A 105 16.876 10.238 12.005 1.00 1.64 H new ATOM 824 N ALA A 106 18.949 6.781 9.079 1.00 0.78 N ATOM 825 CA ALA A 106 19.291 5.569 8.321 1.00 0.78 C ATOM 826 C ALA A 106 19.060 4.279 9.104 1.00 0.76 C ATOM 827 O ALA A 106 19.625 4.080 10.184 1.00 0.78 O ATOM 828 CB ALA A 106 20.740 5.645 7.863 1.00 0.84 C ATOM 0 H ALA A 106 19.602 7.549 8.927 1.00 0.78 H new ATOM 0 HA ALA A 106 18.620 5.534 7.462 1.00 0.78 H new ATOM 0 HB1 ALA A 106 20.992 4.745 7.301 1.00 0.84 H new ATOM 0 HB2 ALA A 106 20.875 6.520 7.227 1.00 0.84 H new ATOM 0 HB3 ALA A 106 21.393 5.724 8.732 1.00 0.84 H new ATOM 834 N GLY A 107 18.236 3.406 8.536 1.00 0.83 N ATOM 835 CA GLY A 107 17.914 2.144 9.172 1.00 0.91 C ATOM 836 C GLY A 107 16.438 2.051 9.498 1.00 0.87 C ATOM 837 O GLY A 107 15.987 1.108 10.154 1.00 1.04 O ATOM 0 H GLY A 107 17.781 3.554 7.635 1.00 0.83 H new ATOM 0 HA2 GLY A 107 18.196 1.321 8.515 1.00 0.91 H new ATOM 0 HA3 GLY A 107 18.498 2.036 10.086 1.00 0.91 H new ATOM 841 N GLU A 108 15.691 3.037 9.027 1.00 0.71 N ATOM 842 CA GLU A 108 14.267 3.146 9.298 1.00 0.74 C ATOM 843 C GLU A 108 13.453 2.335 8.289 1.00 0.61 C ATOM 844 O GLU A 108 13.980 1.871 7.272 1.00 0.61 O ATOM 845 CB GLU A 108 13.832 4.617 9.257 1.00 0.87 C ATOM 846 CG GLU A 108 13.997 5.282 7.896 1.00 0.85 C ATOM 847 CD GLU A 108 15.428 5.684 7.574 1.00 1.78 C ATOM 848 OE1 GLU A 108 16.235 4.802 7.203 1.00 2.62 O ATOM 849 OE2 GLU A 108 15.740 6.883 7.682 1.00 2.13 O ATOM 0 H GLU A 108 16.058 3.788 8.443 1.00 0.71 H new ATOM 0 HA GLU A 108 14.080 2.743 10.293 1.00 0.74 H new ATOM 0 HB2 GLU A 108 12.786 4.683 9.556 1.00 0.87 H new ATOM 0 HB3 GLU A 108 14.410 5.175 9.994 1.00 0.87 H new ATOM 0 HG2 GLU A 108 13.639 4.600 7.124 1.00 0.85 H new ATOM 0 HG3 GLU A 108 13.364 6.168 7.857 1.00 0.85 H new ATOM 856 N ARG A 109 12.173 2.159 8.581 1.00 0.63 N ATOM 857 CA ARG A 109 11.283 1.423 7.698 1.00 0.56 C ATOM 858 C ARG A 109 9.905 2.060 7.680 1.00 0.46 C ATOM 859 O ARG A 109 9.561 2.854 8.559 1.00 0.55 O ATOM 860 CB ARG A 109 11.115 -0.024 8.149 1.00 0.73 C ATOM 861 CG ARG A 109 9.946 -0.195 9.104 1.00 0.80 C ATOM 862 CD ARG A 109 9.466 -1.625 9.178 1.00 1.22 C ATOM 863 NE ARG A 109 8.322 -1.758 10.077 1.00 2.02 N ATOM 864 CZ ARG A 109 8.176 -2.730 10.974 1.00 2.71 C ATOM 865 NH1 ARG A 109 9.127 -3.640 11.146 1.00 2.91 N ATOM 866 NH2 ARG A 109 7.078 -2.780 11.713 1.00 3.62 N ATOM 0 H ARG A 109 11.727 2.517 9.425 1.00 0.63 H new ATOM 0 HA ARG A 109 11.734 1.449 6.706 1.00 0.56 H new ATOM 0 HB2 ARG A 109 10.965 -0.660 7.276 1.00 0.73 H new ATOM 0 HB3 ARG A 109 12.031 -0.360 8.635 1.00 0.73 H new ATOM 0 HG2 ARG A 109 10.242 0.138 10.099 1.00 0.80 H new ATOM 0 HG3 ARG A 109 9.123 0.445 8.785 1.00 0.80 H new ATOM 0 HD2 ARG A 109 9.189 -1.969 8.182 1.00 1.22 H new ATOM 0 HD3 ARG A 109 10.278 -2.265 9.523 1.00 1.22 H new ATOM 0 HE ARG A 109 7.584 -1.057 10.013 1.00 2.02 H new ATOM 0 HH11 ARG A 109 9.980 -3.598 10.588 1.00 2.91 H new ATOM 0 HH12 ARG A 109 9.005 -4.381 11.836 1.00 2.91 H new ATOM 0 HH21 ARG A 109 6.350 -2.076 11.593 1.00 3.62 H new ATOM 0 HH22 ARG A 109 6.960 -3.523 12.402 1.00 3.62 H new ATOM 880 N LEU A 110 9.118 1.688 6.685 1.00 0.38 N ATOM 881 CA LEU A 110 7.714 2.055 6.636 1.00 0.39 C ATOM 882 C LEU A 110 6.867 0.787 6.655 1.00 0.49 C ATOM 883 O LEU A 110 7.216 -0.204 6.006 1.00 0.53 O ATOM 884 CB LEU A 110 7.375 2.844 5.370 1.00 0.35 C ATOM 885 CG LEU A 110 8.248 4.063 5.046 1.00 0.35 C ATOM 886 CD1 LEU A 110 7.496 5.008 4.116 1.00 0.39 C ATOM 887 CD2 LEU A 110 8.676 4.794 6.306 1.00 0.41 C ATOM 0 H LEU A 110 9.432 1.127 5.893 1.00 0.38 H new ATOM 0 HA LEU A 110 7.504 2.684 7.501 1.00 0.39 H new ATOM 0 HB2 LEU A 110 7.423 2.160 4.523 1.00 0.35 H new ATOM 0 HB3 LEU A 110 6.341 3.181 5.449 1.00 0.35 H new ATOM 0 HG LEU A 110 9.150 3.708 4.548 1.00 0.35 H new ATOM 0 HD11 LEU A 110 8.122 5.871 3.890 1.00 0.39 H new ATOM 0 HD12 LEU A 110 7.249 4.487 3.191 1.00 0.39 H new ATOM 0 HD13 LEU A 110 6.579 5.342 4.601 1.00 0.39 H new ATOM 0 HD21 LEU A 110 9.293 5.652 6.037 1.00 0.41 H new ATOM 0 HD22 LEU A 110 7.793 5.137 6.845 1.00 0.41 H new ATOM 0 HD23 LEU A 110 9.250 4.119 6.941 1.00 0.41 H new ATOM 899 N GLY A 111 5.773 0.812 7.396 1.00 0.61 N ATOM 900 CA GLY A 111 4.847 -0.304 7.391 1.00 0.77 C ATOM 901 C GLY A 111 5.210 -1.390 8.389 1.00 0.88 C ATOM 902 O GLY A 111 5.204 -1.144 9.598 1.00 1.02 O ATOM 0 H GLY A 111 5.507 1.587 8.004 1.00 0.61 H new ATOM 0 HA2 GLY A 111 3.845 0.063 7.613 1.00 0.77 H new ATOM 0 HA3 GLY A 111 4.814 -0.736 6.391 1.00 0.77 H new ATOM 906 N PRO A 112 5.558 -2.606 7.919 1.00 1.23 N ATOM 907 CA PRO A 112 5.709 -2.920 6.489 1.00 1.24 C ATOM 908 C PRO A 112 4.374 -2.987 5.750 1.00 1.05 C ATOM 909 O PRO A 112 3.314 -2.999 6.371 1.00 1.19 O ATOM 910 CB PRO A 112 6.384 -4.291 6.498 1.00 1.78 C ATOM 911 CG PRO A 112 5.937 -4.916 7.771 1.00 2.10 C ATOM 912 CD PRO A 112 5.808 -3.791 8.762 1.00 1.83 C ATOM 0 HA PRO A 112 6.276 -2.149 5.966 1.00 1.24 H new ATOM 0 HB2 PRO A 112 6.084 -4.887 5.636 1.00 1.78 H new ATOM 0 HB3 PRO A 112 7.469 -4.200 6.460 1.00 1.78 H new ATOM 0 HG2 PRO A 112 4.986 -5.431 7.640 1.00 2.10 H new ATOM 0 HG3 PRO A 112 6.657 -5.659 8.115 1.00 2.10 H new ATOM 0 HD2 PRO A 112 4.989 -3.965 9.460 1.00 1.83 H new ATOM 0 HD3 PRO A 112 6.715 -3.675 9.356 1.00 1.83 H new ATOM 920 N CYS A 113 4.436 -3.024 4.425 1.00 1.00 N ATOM 921 CA CYS A 113 3.232 -3.044 3.608 1.00 1.00 C ATOM 922 C CYS A 113 2.471 -4.348 3.810 1.00 1.17 C ATOM 923 O CYS A 113 1.239 -4.369 3.814 1.00 1.67 O ATOM 924 CB CYS A 113 3.591 -2.849 2.132 1.00 1.05 C ATOM 925 SG CYS A 113 2.174 -2.817 1.011 1.00 2.00 S ATOM 0 H CYS A 113 5.307 -3.041 3.895 1.00 1.00 H new ATOM 0 HA CYS A 113 2.586 -2.223 3.918 1.00 1.00 H new ATOM 0 HB2 CYS A 113 4.142 -1.915 2.026 1.00 1.05 H new ATOM 0 HB3 CYS A 113 4.262 -3.652 1.826 1.00 1.05 H new ATOM 0 HG CYS A 113 1.078 -2.973 1.692 1.00 2.00 H new ATOM 1692 N GLY A 166 -0.245 -1.843 4.091 1.00 1.30 N ATOM 1693 CA GLY A 166 0.489 -0.852 3.338 1.00 1.24 C ATOM 1694 C GLY A 166 -0.336 -0.222 2.241 1.00 1.03 C ATOM 1695 O GLY A 166 0.182 0.073 1.161 1.00 1.05 O ATOM 0 HA2 GLY A 166 0.839 -0.073 4.016 1.00 1.24 H new ATOM 0 HA3 GLY A 166 1.373 -1.316 2.901 1.00 1.24 H new ATOM 1699 N SER A 167 -1.613 0.000 2.515 1.00 0.98 N ATOM 1700 CA SER A 167 -2.512 0.633 1.563 1.00 0.99 C ATOM 1701 C SER A 167 -2.024 2.044 1.241 1.00 0.78 C ATOM 1702 O SER A 167 -2.262 2.575 0.159 1.00 0.86 O ATOM 1703 CB SER A 167 -3.918 0.684 2.153 1.00 1.17 C ATOM 1704 OG SER A 167 -4.241 -0.541 2.794 1.00 1.82 O ATOM 0 H SER A 167 -2.053 -0.253 3.400 1.00 0.98 H new ATOM 0 HA SER A 167 -2.530 0.053 0.640 1.00 0.99 H new ATOM 0 HB2 SER A 167 -3.987 1.503 2.869 1.00 1.17 H new ATOM 0 HB3 SER A 167 -4.641 0.888 1.364 1.00 1.17 H new ATOM 0 HG SER A 167 -5.146 -0.487 3.167 1.00 1.82 H new ATOM 1710 N TRP A 168 -1.321 2.630 2.197 1.00 0.62 N ATOM 1711 CA TRP A 168 -0.770 3.968 2.048 1.00 0.51 C ATOM 1712 C TRP A 168 0.582 3.929 1.347 1.00 0.42 C ATOM 1713 O TRP A 168 1.036 4.924 0.790 1.00 0.43 O ATOM 1714 CB TRP A 168 -0.628 4.626 3.423 1.00 0.56 C ATOM 1715 CG TRP A 168 0.180 3.820 4.404 1.00 0.55 C ATOM 1716 CD1 TRP A 168 -0.198 2.670 5.038 1.00 0.69 C ATOM 1717 CD2 TRP A 168 1.496 4.119 4.876 1.00 0.49 C ATOM 1718 NE1 TRP A 168 0.810 2.228 5.857 1.00 0.70 N ATOM 1719 CE2 TRP A 168 1.859 3.103 5.778 1.00 0.56 C ATOM 1720 CE3 TRP A 168 2.401 5.144 4.615 1.00 0.49 C ATOM 1721 CZ2 TRP A 168 3.093 3.088 6.422 1.00 0.55 C ATOM 1722 CZ3 TRP A 168 3.626 5.130 5.257 1.00 0.51 C ATOM 1723 CH2 TRP A 168 3.963 4.107 6.150 1.00 0.50 C ATOM 0 H TRP A 168 -1.117 2.193 3.096 1.00 0.62 H new ATOM 0 HA TRP A 168 -1.454 4.554 1.434 1.00 0.51 H new ATOM 0 HB2 TRP A 168 -0.162 5.604 3.301 1.00 0.56 H new ATOM 0 HB3 TRP A 168 -1.621 4.796 3.838 1.00 0.56 H new ATOM 0 HD1 TRP A 168 -1.152 2.180 4.913 1.00 0.69 H new ATOM 0 HE1 TRP A 168 0.782 1.385 6.431 1.00 0.70 H new ATOM 0 HE3 TRP A 168 2.151 5.936 3.924 1.00 0.49 H new ATOM 0 HZ2 TRP A 168 3.354 2.299 7.112 1.00 0.55 H new ATOM 0 HZ3 TRP A 168 4.335 5.922 5.066 1.00 0.51 H new ATOM 0 HH2 TRP A 168 4.929 4.123 6.634 1.00 0.50 H new ATOM 1734 N LEU A 169 1.206 2.762 1.352 1.00 0.41 N ATOM 1735 CA LEU A 169 2.560 2.621 0.839 1.00 0.38 C ATOM 1736 C LEU A 169 2.580 2.477 -0.677 1.00 0.39 C ATOM 1737 O LEU A 169 3.622 2.648 -1.309 1.00 0.41 O ATOM 1738 CB LEU A 169 3.252 1.437 1.516 1.00 0.44 C ATOM 1739 CG LEU A 169 3.747 1.714 2.935 1.00 0.46 C ATOM 1740 CD1 LEU A 169 4.275 0.446 3.583 1.00 0.66 C ATOM 1741 CD2 LEU A 169 4.829 2.781 2.914 1.00 0.55 C ATOM 0 H LEU A 169 0.796 1.898 1.706 1.00 0.41 H new ATOM 0 HA LEU A 169 3.109 3.532 1.075 1.00 0.38 H new ATOM 0 HB2 LEU A 169 2.559 0.596 1.545 1.00 0.44 H new ATOM 0 HB3 LEU A 169 4.100 1.130 0.903 1.00 0.44 H new ATOM 0 HG LEU A 169 2.904 2.074 3.526 1.00 0.46 H new ATOM 0 HD11 LEU A 169 4.621 0.670 4.592 1.00 0.66 H new ATOM 0 HD12 LEU A 169 3.479 -0.298 3.629 1.00 0.66 H new ATOM 0 HD13 LEU A 169 5.104 0.054 2.994 1.00 0.66 H new ATOM 0 HD21 LEU A 169 5.174 2.970 3.931 1.00 0.55 H new ATOM 0 HD22 LEU A 169 5.666 2.439 2.305 1.00 0.55 H new ATOM 0 HD23 LEU A 169 4.425 3.701 2.491 1.00 0.55 H new ATOM 1753 N LYS A 170 1.426 2.193 -1.268 1.00 0.44 N ATOM 1754 CA LYS A 170 1.327 2.143 -2.721 1.00 0.52 C ATOM 1755 C LYS A 170 1.343 3.556 -3.294 1.00 0.50 C ATOM 1756 O LYS A 170 1.426 3.747 -4.507 1.00 0.61 O ATOM 1757 CB LYS A 170 0.062 1.384 -3.166 1.00 0.66 C ATOM 1758 CG LYS A 170 -1.262 2.005 -2.720 1.00 0.74 C ATOM 1759 CD LYS A 170 -1.727 3.147 -3.624 1.00 0.83 C ATOM 1760 CE LYS A 170 -2.009 2.676 -5.043 1.00 1.15 C ATOM 1761 NZ LYS A 170 -2.580 3.761 -5.889 1.00 1.48 N ATOM 0 H LYS A 170 0.557 1.996 -0.772 1.00 0.44 H new ATOM 0 HA LYS A 170 2.189 1.599 -3.107 1.00 0.52 H new ATOM 0 HB2 LYS A 170 0.064 1.314 -4.254 1.00 0.66 H new ATOM 0 HB3 LYS A 170 0.115 0.366 -2.781 1.00 0.66 H new ATOM 0 HG2 LYS A 170 -2.030 1.231 -2.699 1.00 0.74 H new ATOM 0 HG3 LYS A 170 -1.156 2.377 -1.701 1.00 0.74 H new ATOM 0 HD2 LYS A 170 -2.628 3.596 -3.206 1.00 0.83 H new ATOM 0 HD3 LYS A 170 -0.964 3.925 -3.646 1.00 0.83 H new ATOM 0 HE2 LYS A 170 -1.086 2.312 -5.494 1.00 1.15 H new ATOM 0 HE3 LYS A 170 -2.703 1.836 -5.015 1.00 1.15 H new ATOM 0 HZ1 LYS A 170 -2.757 3.397 -6.847 1.00 1.48 H new ATOM 0 HZ2 LYS A 170 -3.474 4.091 -5.473 1.00 1.48 H new ATOM 0 HZ3 LYS A 170 -1.908 4.553 -5.938 1.00 1.48 H new ATOM 1775 N TYR A 171 1.260 4.543 -2.410 1.00 0.45 N ATOM 1776 CA TYR A 171 1.222 5.933 -2.823 1.00 0.52 C ATOM 1777 C TYR A 171 2.621 6.502 -3.011 1.00 0.53 C ATOM 1778 O TYR A 171 2.811 7.369 -3.857 1.00 0.68 O ATOM 1779 CB TYR A 171 0.456 6.783 -1.808 1.00 0.56 C ATOM 1780 CG TYR A 171 -1.044 6.614 -1.868 1.00 0.85 C ATOM 1781 CD1 TYR A 171 -1.817 7.424 -2.690 1.00 1.12 C ATOM 1782 CD2 TYR A 171 -1.687 5.650 -1.105 1.00 1.03 C ATOM 1783 CE1 TYR A 171 -3.191 7.280 -2.747 1.00 1.44 C ATOM 1784 CE2 TYR A 171 -3.060 5.499 -1.158 1.00 1.42 C ATOM 1785 CZ TYR A 171 -3.807 6.316 -1.979 1.00 1.58 C ATOM 1786 OH TYR A 171 -5.174 6.168 -2.033 1.00 1.97 O ATOM 0 H TYR A 171 1.218 4.402 -1.401 1.00 0.45 H new ATOM 0 HA TYR A 171 0.705 5.966 -3.782 1.00 0.52 H new ATOM 0 HB2 TYR A 171 0.799 6.529 -0.805 1.00 0.56 H new ATOM 0 HB3 TYR A 171 0.699 7.833 -1.972 1.00 0.56 H new ATOM 0 HD1 TYR A 171 -1.337 8.179 -3.295 1.00 1.12 H new ATOM 0 HD2 TYR A 171 -1.106 5.008 -0.460 1.00 1.03 H new ATOM 0 HE1 TYR A 171 -3.778 7.919 -3.390 1.00 1.44 H new ATOM 0 HE2 TYR A 171 -3.546 4.744 -0.558 1.00 1.42 H new ATOM 0 HH TYR A 171 -5.449 5.444 -1.432 1.00 1.97 H new ATOM 1796 N ILE A 172 3.594 5.996 -2.243 1.00 0.43 N ATOM 1797 CA ILE A 172 4.940 6.570 -2.235 1.00 0.46 C ATOM 1798 C ILE A 172 5.490 6.714 -3.652 1.00 0.56 C ATOM 1799 O ILE A 172 5.329 5.821 -4.489 1.00 0.67 O ATOM 1800 CB ILE A 172 5.927 5.712 -1.437 1.00 0.42 C ATOM 1801 CG1 ILE A 172 5.269 5.127 -0.178 1.00 0.42 C ATOM 1802 CG2 ILE A 172 7.132 6.562 -1.070 1.00 0.57 C ATOM 1803 CD1 ILE A 172 5.331 6.019 1.046 1.00 0.54 C ATOM 0 H ILE A 172 3.473 5.195 -1.623 1.00 0.43 H new ATOM 0 HA ILE A 172 4.843 7.548 -1.764 1.00 0.46 H new ATOM 0 HB ILE A 172 6.245 4.871 -2.052 1.00 0.42 H new ATOM 0 HG12 ILE A 172 4.224 4.910 -0.399 1.00 0.42 H new ATOM 0 HG13 ILE A 172 5.749 4.177 0.058 1.00 0.42 H new ATOM 0 HG21 ILE A 172 7.842 5.961 -0.501 1.00 0.57 H new ATOM 0 HG22 ILE A 172 7.611 6.926 -1.979 1.00 0.57 H new ATOM 0 HG23 ILE A 172 6.809 7.410 -0.466 1.00 0.57 H new ATOM 0 HD11 ILE A 172 4.841 5.522 1.884 1.00 0.54 H new ATOM 0 HD12 ILE A 172 6.372 6.217 1.300 1.00 0.54 H new ATOM 0 HD13 ILE A 172 4.824 6.961 0.836 1.00 0.54 H new ATOM 1815 N ARG A 173 6.136 7.838 -3.913 1.00 0.71 N ATOM 1816 CA ARG A 173 6.608 8.150 -5.254 1.00 0.92 C ATOM 1817 C ARG A 173 8.038 7.678 -5.476 1.00 0.69 C ATOM 1818 O ARG A 173 8.722 7.248 -4.547 1.00 0.61 O ATOM 1819 CB ARG A 173 6.539 9.657 -5.501 1.00 1.38 C ATOM 1820 CG ARG A 173 5.217 10.298 -5.109 1.00 1.82 C ATOM 1821 CD ARG A 173 4.028 9.464 -5.555 1.00 2.22 C ATOM 1822 NE ARG A 173 4.069 9.129 -6.977 1.00 2.79 N ATOM 1823 CZ ARG A 173 3.693 7.949 -7.463 1.00 3.52 C ATOM 1824 NH1 ARG A 173 3.305 6.984 -6.637 1.00 3.84 N ATOM 1825 NH2 ARG A 173 3.719 7.728 -8.770 1.00 4.34 N ATOM 0 H ARG A 173 6.346 8.551 -3.214 1.00 0.71 H new ATOM 0 HA ARG A 173 5.958 7.624 -5.954 1.00 0.92 H new ATOM 0 HB2 ARG A 173 7.342 10.141 -4.946 1.00 1.38 H new ATOM 0 HB3 ARG A 173 6.722 9.848 -6.558 1.00 1.38 H new ATOM 0 HG2 ARG A 173 5.184 10.428 -4.027 1.00 1.82 H new ATOM 0 HG3 ARG A 173 5.150 11.292 -5.552 1.00 1.82 H new ATOM 0 HD2 ARG A 173 3.997 8.544 -4.971 1.00 2.22 H new ATOM 0 HD3 ARG A 173 3.108 10.009 -5.342 1.00 2.22 H new ATOM 0 HE ARG A 173 4.403 9.837 -7.631 1.00 2.79 H new ATOM 0 HH11 ARG A 173 3.295 7.148 -5.630 1.00 3.84 H new ATOM 0 HH12 ARG A 173 3.017 6.079 -7.009 1.00 3.84 H new ATOM 0 HH21 ARG A 173 4.028 8.464 -9.406 1.00 4.34 H new ATOM 0 HH22 ARG A 173 3.430 6.822 -9.140 1.00 4.34 H new ATOM 1839 N VAL A 174 8.473 7.756 -6.730 1.00 0.70 N ATOM 1840 CA VAL A 174 9.854 7.486 -7.099 1.00 0.63 C ATOM 1841 C VAL A 174 10.650 8.795 -7.014 1.00 0.55 C ATOM 1842 O VAL A 174 10.052 9.871 -7.013 1.00 0.62 O ATOM 1843 CB VAL A 174 9.943 6.886 -8.530 1.00 0.73 C ATOM 1844 CG1 VAL A 174 11.384 6.596 -8.929 1.00 0.98 C ATOM 1845 CG2 VAL A 174 9.113 5.616 -8.633 1.00 1.07 C ATOM 0 H VAL A 174 7.876 8.008 -7.517 1.00 0.70 H new ATOM 0 HA VAL A 174 10.274 6.752 -6.411 1.00 0.63 H new ATOM 0 HB VAL A 174 9.543 7.631 -9.218 1.00 0.73 H new ATOM 0 HG11 VAL A 174 11.406 6.178 -9.935 1.00 0.98 H new ATOM 0 HG12 VAL A 174 11.961 7.521 -8.908 1.00 0.98 H new ATOM 0 HG13 VAL A 174 11.818 5.882 -8.230 1.00 0.98 H new ATOM 0 HG21 VAL A 174 9.189 5.212 -9.643 1.00 1.07 H new ATOM 0 HG22 VAL A 174 9.484 4.880 -7.919 1.00 1.07 H new ATOM 0 HG23 VAL A 174 8.070 5.844 -8.411 1.00 1.07 H new ATOM 1855 N ALA A 175 11.980 8.694 -6.927 1.00 0.53 N ATOM 1856 CA ALA A 175 12.856 9.863 -6.807 1.00 0.57 C ATOM 1857 C ALA A 175 12.492 10.950 -7.808 1.00 0.52 C ATOM 1858 O ALA A 175 12.437 10.703 -9.015 1.00 0.57 O ATOM 1859 CB ALA A 175 14.306 9.454 -7.005 1.00 0.71 C ATOM 0 H ALA A 175 12.478 7.804 -6.938 1.00 0.53 H new ATOM 0 HA ALA A 175 12.721 10.269 -5.805 1.00 0.57 H new ATOM 0 HB1 ALA A 175 14.947 10.331 -6.914 1.00 0.71 H new ATOM 0 HB2 ALA A 175 14.584 8.721 -6.248 1.00 0.71 H new ATOM 0 HB3 ALA A 175 14.429 9.017 -7.996 1.00 0.71 H new ATOM 1865 N CYS A 176 12.246 12.147 -7.302 1.00 0.62 N ATOM 1866 CA CYS A 176 11.880 13.274 -8.146 1.00 0.69 C ATOM 1867 C CYS A 176 13.101 13.825 -8.884 1.00 0.68 C ATOM 1868 O CYS A 176 12.974 14.601 -9.834 1.00 0.84 O ATOM 1869 CB CYS A 176 11.231 14.365 -7.293 1.00 0.85 C ATOM 1870 SG CYS A 176 12.326 15.083 -6.051 1.00 1.88 S ATOM 0 H CYS A 176 12.293 12.365 -6.307 1.00 0.62 H new ATOM 0 HA CYS A 176 11.165 12.932 -8.895 1.00 0.69 H new ATOM 0 HB2 CYS A 176 10.874 15.159 -7.949 1.00 0.85 H new ATOM 0 HB3 CYS A 176 10.357 13.948 -6.793 1.00 0.85 H new ATOM 0 HG CYS A 176 12.636 14.178 -5.171 1.00 1.88 H new ATOM 1876 N SER A 177 14.284 13.418 -8.441 1.00 0.63 N ATOM 1877 CA SER A 177 15.532 13.849 -9.049 1.00 0.71 C ATOM 1878 C SER A 177 16.577 12.742 -8.929 1.00 0.65 C ATOM 1879 O SER A 177 16.417 11.813 -8.140 1.00 0.66 O ATOM 1880 CB SER A 177 16.035 15.126 -8.368 1.00 0.88 C ATOM 1881 OG SER A 177 15.057 16.153 -8.414 1.00 1.63 O ATOM 0 H SER A 177 14.403 12.782 -7.653 1.00 0.63 H new ATOM 0 HA SER A 177 15.359 14.060 -10.104 1.00 0.71 H new ATOM 0 HB2 SER A 177 16.291 14.911 -7.331 1.00 0.88 H new ATOM 0 HB3 SER A 177 16.947 15.467 -8.858 1.00 0.88 H new ATOM 0 HG SER A 177 15.404 16.955 -7.971 1.00 1.63 H new ATOM 1887 N CYS A 178 17.649 12.847 -9.706 1.00 0.71 N ATOM 1888 CA CYS A 178 18.701 11.835 -9.697 1.00 0.76 C ATOM 1889 C CYS A 178 19.564 11.951 -8.441 1.00 0.71 C ATOM 1890 O CYS A 178 20.210 10.993 -8.028 1.00 0.77 O ATOM 1891 CB CYS A 178 19.561 11.963 -10.953 1.00 1.00 C ATOM 1892 SG CYS A 178 18.612 11.912 -12.491 1.00 1.96 S ATOM 0 H CYS A 178 17.813 13.621 -10.350 1.00 0.71 H new ATOM 0 HA CYS A 178 18.232 10.851 -9.689 1.00 0.76 H new ATOM 0 HB2 CYS A 178 20.115 12.901 -10.909 1.00 1.00 H new ATOM 0 HB3 CYS A 178 20.296 11.158 -10.963 1.00 1.00 H new ATOM 0 HG CYS A 178 19.419 12.029 -13.503 1.00 1.96 H new ATOM 1898 N ASP A 179 19.572 13.134 -7.840 1.00 0.76 N ATOM 1899 CA ASP A 179 20.259 13.346 -6.566 1.00 0.88 C ATOM 1900 C ASP A 179 19.322 13.054 -5.403 1.00 0.82 C ATOM 1901 O ASP A 179 19.660 13.277 -4.239 1.00 0.99 O ATOM 1902 CB ASP A 179 20.786 14.777 -6.453 1.00 1.08 C ATOM 1903 CG ASP A 179 21.979 15.029 -7.345 1.00 1.81 C ATOM 1904 OD1 ASP A 179 21.813 15.681 -8.398 1.00 2.40 O ATOM 1905 OD2 ASP A 179 23.086 14.569 -7.004 1.00 2.42 O ATOM 0 H ASP A 179 19.111 13.964 -8.212 1.00 0.76 H new ATOM 0 HA ASP A 179 21.106 12.661 -6.529 1.00 0.88 H new ATOM 0 HB2 ASP A 179 19.990 15.475 -6.712 1.00 1.08 H new ATOM 0 HB3 ASP A 179 21.062 14.978 -5.418 1.00 1.08 H new ATOM 1910 N ASP A 180 18.138 12.571 -5.736 1.00 0.70 N ATOM 1911 CA ASP A 180 17.083 12.355 -4.756 1.00 0.75 C ATOM 1912 C ASP A 180 16.855 10.858 -4.545 1.00 0.60 C ATOM 1913 O ASP A 180 15.835 10.438 -4.005 1.00 0.64 O ATOM 1914 CB ASP A 180 15.804 13.049 -5.241 1.00 0.92 C ATOM 1915 CG ASP A 180 14.700 13.101 -4.204 1.00 1.41 C ATOM 1916 OD1 ASP A 180 13.525 12.896 -4.581 1.00 2.12 O ATOM 1917 OD2 ASP A 180 14.994 13.377 -3.021 1.00 1.55 O ATOM 0 H ASP A 180 17.879 12.318 -6.690 1.00 0.70 H new ATOM 0 HA ASP A 180 17.374 12.782 -3.796 1.00 0.75 H new ATOM 0 HB2 ASP A 180 16.049 14.066 -5.548 1.00 0.92 H new ATOM 0 HB3 ASP A 180 15.434 12.530 -6.125 1.00 0.92 H new ATOM 1922 N GLN A 181 17.814 10.049 -4.989 1.00 0.51 N ATOM 1923 CA GLN A 181 17.698 8.601 -4.856 1.00 0.46 C ATOM 1924 C GLN A 181 17.799 8.192 -3.393 1.00 0.46 C ATOM 1925 O GLN A 181 18.846 8.343 -2.763 1.00 0.56 O ATOM 1926 CB GLN A 181 18.793 7.893 -5.658 1.00 0.56 C ATOM 1927 CG GLN A 181 18.779 8.218 -7.145 1.00 0.62 C ATOM 1928 CD GLN A 181 17.510 7.767 -7.847 1.00 0.70 C ATOM 1929 OE1 GLN A 181 17.068 8.397 -8.809 1.00 1.35 O ATOM 1930 NE2 GLN A 181 16.925 6.666 -7.395 1.00 0.98 N ATOM 0 H GLN A 181 18.672 10.368 -5.440 1.00 0.51 H new ATOM 0 HA GLN A 181 16.724 8.305 -5.247 1.00 0.46 H new ATOM 0 HB2 GLN A 181 19.765 8.166 -5.246 1.00 0.56 H new ATOM 0 HB3 GLN A 181 18.684 6.816 -5.531 1.00 0.56 H new ATOM 0 HG2 GLN A 181 18.895 9.294 -7.276 1.00 0.62 H new ATOM 0 HG3 GLN A 181 19.637 7.744 -7.621 1.00 0.62 H new ATOM 0 HE21 GLN A 181 17.320 6.170 -6.596 1.00 0.98 H new ATOM 0 HE22 GLN A 181 16.081 6.315 -7.847 1.00 0.98 H new ATOM 1939 N ASN A 182 16.710 7.662 -2.864 1.00 0.40 N ATOM 1940 CA ASN A 182 16.669 7.201 -1.492 1.00 0.41 C ATOM 1941 C ASN A 182 15.547 6.172 -1.340 1.00 0.36 C ATOM 1942 O ASN A 182 14.872 6.094 -0.322 1.00 0.42 O ATOM 1943 CB ASN A 182 16.474 8.409 -0.557 1.00 0.49 C ATOM 1944 CG ASN A 182 16.461 8.042 0.912 1.00 0.99 C ATOM 1945 OD1 ASN A 182 17.499 7.821 1.523 1.00 1.68 O ATOM 1946 ND2 ASN A 182 15.283 8.013 1.489 1.00 0.93 N ATOM 0 H ASN A 182 15.834 7.541 -3.373 1.00 0.40 H new ATOM 0 HA ASN A 182 17.607 6.716 -1.220 1.00 0.41 H new ATOM 0 HB2 ASN A 182 17.272 9.129 -0.736 1.00 0.49 H new ATOM 0 HB3 ASN A 182 15.536 8.904 -0.808 1.00 0.49 H new ATOM 0 HD21 ASN A 182 15.207 7.800 2.484 1.00 0.93 H new ATOM 0 HD22 ASN A 182 14.443 8.203 0.943 1.00 0.93 H new ATOM 1953 N LEU A 183 15.362 5.357 -2.368 1.00 0.34 N ATOM 1954 CA LEU A 183 14.241 4.429 -2.391 1.00 0.35 C ATOM 1955 C LEU A 183 14.719 2.994 -2.555 1.00 0.36 C ATOM 1956 O LEU A 183 15.450 2.676 -3.496 1.00 0.39 O ATOM 1957 CB LEU A 183 13.265 4.769 -3.524 1.00 0.39 C ATOM 1958 CG LEU A 183 13.021 6.253 -3.773 1.00 0.46 C ATOM 1959 CD1 LEU A 183 14.102 6.847 -4.657 1.00 0.73 C ATOM 1960 CD2 LEU A 183 11.665 6.464 -4.406 1.00 0.81 C ATOM 0 H LEU A 183 15.966 5.319 -3.189 1.00 0.34 H new ATOM 0 HA LEU A 183 13.726 4.526 -1.435 1.00 0.35 H new ATOM 0 HB2 LEU A 183 13.639 4.323 -4.445 1.00 0.39 H new ATOM 0 HB3 LEU A 183 12.308 4.295 -3.307 1.00 0.39 H new ATOM 0 HG LEU A 183 13.050 6.762 -2.809 1.00 0.46 H new ATOM 0 HD11 LEU A 183 13.900 7.906 -4.816 1.00 0.73 H new ATOM 0 HD12 LEU A 183 15.072 6.731 -4.173 1.00 0.73 H new ATOM 0 HD13 LEU A 183 14.111 6.331 -5.617 1.00 0.73 H new ATOM 0 HD21 LEU A 183 11.505 7.528 -4.578 1.00 0.81 H new ATOM 0 HD22 LEU A 183 11.621 5.932 -5.357 1.00 0.81 H new ATOM 0 HD23 LEU A 183 10.890 6.083 -3.741 1.00 0.81 H new ATOM 1972 N THR A 184 14.322 2.134 -1.631 1.00 0.37 N ATOM 1973 CA THR A 184 14.604 0.714 -1.743 1.00 0.41 C ATOM 1974 C THR A 184 13.513 -0.108 -1.066 1.00 0.41 C ATOM 1975 O THR A 184 13.226 0.066 0.118 1.00 0.45 O ATOM 1976 CB THR A 184 15.978 0.356 -1.131 1.00 0.45 C ATOM 1977 OG1 THR A 184 17.031 0.979 -1.881 1.00 0.51 O ATOM 1978 CG2 THR A 184 16.195 -1.149 -1.105 1.00 0.49 C ATOM 0 H THR A 184 13.802 2.396 -0.793 1.00 0.37 H new ATOM 0 HA THR A 184 14.629 0.474 -2.806 1.00 0.41 H new ATOM 0 HB THR A 184 15.992 0.725 -0.105 1.00 0.45 H new ATOM 0 HG1 THR A 184 16.645 1.510 -2.608 1.00 0.51 H new ATOM 0 HG21 THR A 184 17.170 -1.369 -0.669 1.00 0.49 H new ATOM 0 HG22 THR A 184 15.415 -1.619 -0.505 1.00 0.49 H new ATOM 0 HG23 THR A 184 16.156 -1.540 -2.122 1.00 0.49 H new ATOM 1986 N MET A 185 12.886 -0.982 -1.830 1.00 0.49 N ATOM 1987 CA MET A 185 11.938 -1.925 -1.270 1.00 0.51 C ATOM 1988 C MET A 185 12.630 -3.259 -1.052 1.00 0.60 C ATOM 1989 O MET A 185 13.340 -3.747 -1.931 1.00 0.90 O ATOM 1990 CB MET A 185 10.727 -2.097 -2.190 1.00 0.77 C ATOM 1991 CG MET A 185 9.729 -3.139 -1.701 1.00 1.01 C ATOM 1992 SD MET A 185 8.387 -3.432 -2.875 1.00 1.35 S ATOM 1993 CE MET A 185 7.590 -1.828 -2.904 1.00 1.03 C ATOM 0 H MET A 185 13.016 -1.058 -2.839 1.00 0.49 H new ATOM 0 HA MET A 185 11.578 -1.540 -0.316 1.00 0.51 H new ATOM 0 HB2 MET A 185 10.218 -1.138 -2.289 1.00 0.77 H new ATOM 0 HB3 MET A 185 11.074 -2.378 -3.184 1.00 0.77 H new ATOM 0 HG2 MET A 185 10.253 -4.077 -1.514 1.00 1.01 H new ATOM 0 HG3 MET A 185 9.308 -2.814 -0.750 1.00 1.01 H new ATOM 0 HE1 MET A 185 6.508 -1.959 -2.878 1.00 1.03 H new ATOM 0 HE2 MET A 185 7.906 -1.249 -2.036 1.00 1.03 H new ATOM 0 HE3 MET A 185 7.870 -1.299 -3.815 1.00 1.03 H new ATOM 2003 N CYS A 186 12.437 -3.835 0.115 1.00 0.55 N ATOM 2004 CA CYS A 186 13.066 -5.097 0.443 1.00 0.81 C ATOM 2005 C CYS A 186 11.998 -6.174 0.566 1.00 0.71 C ATOM 2006 O CYS A 186 10.969 -5.972 1.206 1.00 0.65 O ATOM 2007 CB CYS A 186 13.853 -4.966 1.749 1.00 1.10 C ATOM 2008 SG CYS A 186 14.927 -6.373 2.117 1.00 1.73 S ATOM 0 H CYS A 186 11.849 -3.449 0.854 1.00 0.55 H new ATOM 0 HA CYS A 186 13.762 -5.376 -0.348 1.00 0.81 H new ATOM 0 HB2 CYS A 186 14.461 -4.062 1.704 1.00 1.10 H new ATOM 0 HB3 CYS A 186 13.150 -4.836 2.572 1.00 1.10 H new ATOM 0 HG CYS A 186 15.549 -6.163 3.239 1.00 1.73 H new ATOM 2014 N GLN A 187 12.229 -7.304 -0.070 1.00 0.81 N ATOM 2015 CA GLN A 187 11.263 -8.382 -0.050 1.00 0.79 C ATOM 2016 C GLN A 187 11.783 -9.521 0.814 1.00 0.87 C ATOM 2017 O GLN A 187 12.679 -10.266 0.417 1.00 1.01 O ATOM 2018 CB GLN A 187 10.974 -8.844 -1.482 1.00 0.95 C ATOM 2019 CG GLN A 187 9.747 -9.730 -1.614 1.00 1.08 C ATOM 2020 CD GLN A 187 10.045 -11.195 -1.389 1.00 1.47 C ATOM 2021 OE1 GLN A 187 11.143 -11.671 -1.674 1.00 1.93 O ATOM 2022 NE2 GLN A 187 9.065 -11.924 -0.892 1.00 1.60 N ATOM 0 H GLN A 187 13.075 -7.499 -0.606 1.00 0.81 H new ATOM 0 HA GLN A 187 10.326 -8.033 0.384 1.00 0.79 H new ATOM 0 HB2 GLN A 187 10.845 -7.967 -2.116 1.00 0.95 H new ATOM 0 HB3 GLN A 187 11.842 -9.385 -1.859 1.00 0.95 H new ATOM 0 HG2 GLN A 187 8.993 -9.405 -0.897 1.00 1.08 H new ATOM 0 HG3 GLN A 187 9.319 -9.601 -2.608 1.00 1.08 H new ATOM 0 HE21 GLN A 187 8.169 -11.490 -0.669 1.00 1.60 H new ATOM 0 HE22 GLN A 187 9.203 -12.922 -0.731 1.00 1.60 H new ATOM 2031 N ILE A 188 11.217 -9.638 2.004 1.00 0.82 N ATOM 2032 CA ILE A 188 11.653 -10.631 2.975 1.00 0.92 C ATOM 2033 C ILE A 188 10.452 -11.364 3.549 1.00 0.95 C ATOM 2034 O ILE A 188 9.395 -10.767 3.724 1.00 0.87 O ATOM 2035 CB ILE A 188 12.451 -9.986 4.130 1.00 0.99 C ATOM 2036 CG1 ILE A 188 11.671 -8.818 4.738 1.00 0.96 C ATOM 2037 CG2 ILE A 188 13.807 -9.512 3.641 1.00 1.07 C ATOM 2038 CD1 ILE A 188 12.304 -8.239 5.985 1.00 1.11 C ATOM 0 H ILE A 188 10.446 -9.051 2.324 1.00 0.82 H new ATOM 0 HA ILE A 188 12.305 -11.333 2.454 1.00 0.92 H new ATOM 0 HB ILE A 188 12.603 -10.741 4.902 1.00 0.99 H new ATOM 0 HG12 ILE A 188 11.576 -8.030 3.991 1.00 0.96 H new ATOM 0 HG13 ILE A 188 10.662 -9.153 4.977 1.00 0.96 H new ATOM 0 HG21 ILE A 188 14.355 -9.061 4.468 1.00 1.07 H new ATOM 0 HG22 ILE A 188 14.371 -10.360 3.253 1.00 1.07 H new ATOM 0 HG23 ILE A 188 13.671 -8.774 2.850 1.00 1.07 H new ATOM 0 HD11 ILE A 188 11.692 -7.416 6.355 1.00 1.11 H new ATOM 0 HD12 ILE A 188 12.374 -9.012 6.750 1.00 1.11 H new ATOM 0 HD13 ILE A 188 13.302 -7.871 5.749 1.00 1.11 H new ATOM 2050 N SER A 189 10.609 -12.660 3.800 1.00 1.12 N ATOM 2051 CA SER A 189 9.556 -13.473 4.412 1.00 1.23 C ATOM 2052 C SER A 189 8.241 -13.369 3.636 1.00 1.13 C ATOM 2053 O SER A 189 7.160 -13.358 4.228 1.00 1.15 O ATOM 2054 CB SER A 189 9.352 -13.049 5.868 1.00 1.31 C ATOM 2055 OG SER A 189 10.579 -13.087 6.583 1.00 1.86 O ATOM 0 H SER A 189 11.463 -13.176 3.588 1.00 1.12 H new ATOM 0 HA SER A 189 9.873 -14.516 4.381 1.00 1.23 H new ATOM 0 HB2 SER A 189 8.937 -12.042 5.903 1.00 1.31 H new ATOM 0 HB3 SER A 189 8.628 -13.709 6.345 1.00 1.31 H new ATOM 0 HG SER A 189 10.426 -12.811 7.511 1.00 1.86 H new ATOM 2061 N GLU A 190 8.352 -13.271 2.309 1.00 1.11 N ATOM 2062 CA GLU A 190 7.189 -13.212 1.416 1.00 1.13 C ATOM 2063 C GLU A 190 6.367 -11.935 1.625 1.00 0.96 C ATOM 2064 O GLU A 190 5.294 -11.783 1.038 1.00 1.05 O ATOM 2065 CB GLU A 190 6.291 -14.448 1.591 1.00 1.34 C ATOM 2066 CG GLU A 190 6.851 -15.731 0.984 1.00 1.74 C ATOM 2067 CD GLU A 190 8.166 -16.167 1.603 1.00 2.26 C ATOM 2068 OE1 GLU A 190 9.231 -15.880 1.015 1.00 2.66 O ATOM 2069 OE2 GLU A 190 8.145 -16.792 2.682 1.00 2.83 O ATOM 0 H GLU A 190 9.248 -13.230 1.823 1.00 1.11 H new ATOM 0 HA GLU A 190 7.578 -13.199 0.398 1.00 1.13 H new ATOM 0 HB2 GLU A 190 6.121 -14.609 2.655 1.00 1.34 H new ATOM 0 HB3 GLU A 190 5.320 -14.242 1.141 1.00 1.34 H new ATOM 0 HG2 GLU A 190 6.119 -16.530 1.103 1.00 1.74 H new ATOM 0 HG3 GLU A 190 6.993 -15.586 -0.087 1.00 1.74 H new ATOM 2076 N GLN A 191 6.872 -11.012 2.433 1.00 0.81 N ATOM 2077 CA GLN A 191 6.156 -9.777 2.712 1.00 0.71 C ATOM 2078 C GLN A 191 6.910 -8.580 2.139 1.00 0.61 C ATOM 2079 O GLN A 191 8.125 -8.634 1.934 1.00 0.65 O ATOM 2080 CB GLN A 191 5.933 -9.602 4.222 1.00 0.78 C ATOM 2081 CG GLN A 191 7.200 -9.346 5.022 1.00 0.87 C ATOM 2082 CD GLN A 191 6.935 -9.178 6.507 1.00 1.15 C ATOM 2083 OE1 GLN A 191 5.994 -9.752 7.052 1.00 1.75 O ATOM 2084 NE2 GLN A 191 7.763 -8.387 7.171 1.00 1.46 N ATOM 0 H GLN A 191 7.772 -11.096 2.905 1.00 0.81 H new ATOM 0 HA GLN A 191 5.180 -9.834 2.230 1.00 0.71 H new ATOM 0 HB2 GLN A 191 5.245 -8.772 4.381 1.00 0.78 H new ATOM 0 HB3 GLN A 191 5.448 -10.497 4.611 1.00 0.78 H new ATOM 0 HG2 GLN A 191 7.892 -10.175 4.873 1.00 0.87 H new ATOM 0 HG3 GLN A 191 7.690 -8.450 4.641 1.00 0.87 H new ATOM 0 HE21 GLN A 191 8.532 -7.929 6.682 1.00 1.46 H new ATOM 0 HE22 GLN A 191 7.632 -8.236 8.171 1.00 1.46 H new ATOM 2093 N ILE A 192 6.176 -7.511 1.867 1.00 0.56 N ATOM 2094 CA ILE A 192 6.755 -6.306 1.293 1.00 0.50 C ATOM 2095 C ILE A 192 7.266 -5.383 2.396 1.00 0.47 C ATOM 2096 O ILE A 192 6.483 -4.834 3.175 1.00 0.61 O ATOM 2097 CB ILE A 192 5.726 -5.554 0.421 1.00 0.65 C ATOM 2098 CG1 ILE A 192 5.201 -6.458 -0.701 1.00 0.89 C ATOM 2099 CG2 ILE A 192 6.335 -4.285 -0.157 1.00 0.64 C ATOM 2100 CD1 ILE A 192 6.274 -6.964 -1.640 1.00 1.01 C ATOM 0 H ILE A 192 5.172 -7.454 2.036 1.00 0.56 H new ATOM 0 HA ILE A 192 7.590 -6.608 0.661 1.00 0.50 H new ATOM 0 HB ILE A 192 4.886 -5.273 1.056 1.00 0.65 H new ATOM 0 HG12 ILE A 192 4.691 -7.312 -0.256 1.00 0.89 H new ATOM 0 HG13 ILE A 192 4.458 -5.908 -1.278 1.00 0.89 H new ATOM 0 HG21 ILE A 192 5.593 -3.771 -0.768 1.00 0.64 H new ATOM 0 HG22 ILE A 192 6.652 -3.631 0.655 1.00 0.64 H new ATOM 0 HG23 ILE A 192 7.196 -4.543 -0.773 1.00 0.64 H new ATOM 0 HD11 ILE A 192 5.821 -7.596 -2.404 1.00 1.01 H new ATOM 0 HD12 ILE A 192 6.770 -6.118 -2.116 1.00 1.01 H new ATOM 0 HD13 ILE A 192 7.006 -7.544 -1.078 1.00 1.01 H new ATOM 2112 N TYR A 193 8.579 -5.222 2.453 1.00 0.48 N ATOM 2113 CA TYR A 193 9.218 -4.430 3.492 1.00 0.68 C ATOM 2114 C TYR A 193 9.800 -3.148 2.898 1.00 0.50 C ATOM 2115 O TYR A 193 10.423 -3.169 1.838 1.00 0.47 O ATOM 2116 CB TYR A 193 10.320 -5.263 4.156 1.00 1.05 C ATOM 2117 CG TYR A 193 10.933 -4.639 5.390 1.00 1.54 C ATOM 2118 CD1 TYR A 193 12.086 -3.867 5.310 1.00 2.35 C ATOM 2119 CD2 TYR A 193 10.364 -4.841 6.639 1.00 1.86 C ATOM 2120 CE1 TYR A 193 12.652 -3.311 6.442 1.00 3.17 C ATOM 2121 CE2 TYR A 193 10.921 -4.288 7.774 1.00 2.49 C ATOM 2122 CZ TYR A 193 12.065 -3.525 7.672 1.00 3.09 C ATOM 2123 OH TYR A 193 12.622 -2.975 8.804 1.00 3.94 O ATOM 0 H TYR A 193 9.229 -5.635 1.784 1.00 0.48 H new ATOM 0 HA TYR A 193 8.478 -4.151 4.242 1.00 0.68 H new ATOM 0 HB2 TYR A 193 9.908 -6.236 4.425 1.00 1.05 H new ATOM 0 HB3 TYR A 193 11.110 -5.442 3.426 1.00 1.05 H new ATOM 0 HD1 TYR A 193 12.547 -3.699 4.348 1.00 2.35 H new ATOM 0 HD2 TYR A 193 9.470 -5.441 6.724 1.00 1.86 H new ATOM 0 HE1 TYR A 193 13.548 -2.713 6.364 1.00 3.17 H new ATOM 0 HE2 TYR A 193 10.463 -4.452 8.738 1.00 2.49 H new ATOM 0 HH TYR A 193 13.268 -2.284 8.548 1.00 3.94 H new ATOM 2133 N TYR A 194 9.587 -2.032 3.575 1.00 0.49 N ATOM 2134 CA TYR A 194 10.112 -0.754 3.117 1.00 0.41 C ATOM 2135 C TYR A 194 11.341 -0.369 3.915 1.00 0.40 C ATOM 2136 O TYR A 194 11.251 -0.130 5.114 1.00 0.49 O ATOM 2137 CB TYR A 194 9.043 0.335 3.237 1.00 0.56 C ATOM 2138 CG TYR A 194 8.046 0.317 2.104 1.00 0.59 C ATOM 2139 CD1 TYR A 194 7.254 -0.796 1.872 1.00 0.80 C ATOM 2140 CD2 TYR A 194 7.907 1.410 1.263 1.00 0.78 C ATOM 2141 CE1 TYR A 194 6.350 -0.821 0.830 1.00 0.89 C ATOM 2142 CE2 TYR A 194 7.004 1.396 0.220 1.00 0.85 C ATOM 2143 CZ TYR A 194 6.229 0.277 0.007 1.00 0.80 C ATOM 2144 OH TYR A 194 5.329 0.254 -1.032 1.00 0.92 O ATOM 0 H TYR A 194 9.054 -1.984 4.444 1.00 0.49 H new ATOM 0 HA TYR A 194 10.394 -0.854 2.069 1.00 0.41 H new ATOM 0 HB2 TYR A 194 8.512 0.212 4.181 1.00 0.56 H new ATOM 0 HB3 TYR A 194 9.529 1.310 3.269 1.00 0.56 H new ATOM 0 HD1 TYR A 194 7.346 -1.657 2.517 1.00 0.80 H new ATOM 0 HD2 TYR A 194 8.516 2.287 1.427 1.00 0.78 H new ATOM 0 HE1 TYR A 194 5.741 -1.696 0.661 1.00 0.89 H new ATOM 0 HE2 TYR A 194 6.905 2.256 -0.425 1.00 0.85 H new ATOM 0 HH TYR A 194 4.881 1.123 -1.096 1.00 0.92 H new ATOM 2154 N LYS A 195 12.482 -0.314 3.251 1.00 0.37 N ATOM 2155 CA LYS A 195 13.725 0.038 3.915 1.00 0.38 C ATOM 2156 C LYS A 195 14.265 1.339 3.352 1.00 0.39 C ATOM 2157 O LYS A 195 14.580 1.431 2.167 1.00 0.43 O ATOM 2158 CB LYS A 195 14.757 -1.086 3.765 1.00 0.40 C ATOM 2159 CG LYS A 195 16.065 -0.825 4.507 1.00 0.43 C ATOM 2160 CD LYS A 195 17.122 -0.182 3.615 1.00 0.46 C ATOM 2161 CE LYS A 195 17.624 -1.154 2.561 1.00 0.53 C ATOM 2162 NZ LYS A 195 18.812 -0.630 1.835 1.00 1.11 N ATOM 0 H LYS A 195 12.574 -0.508 2.254 1.00 0.37 H new ATOM 0 HA LYS A 195 13.526 0.173 4.978 1.00 0.38 H new ATOM 0 HB2 LYS A 195 14.322 -2.017 4.130 1.00 0.40 H new ATOM 0 HB3 LYS A 195 14.973 -1.229 2.706 1.00 0.40 H new ATOM 0 HG2 LYS A 195 15.871 -0.177 5.362 1.00 0.43 H new ATOM 0 HG3 LYS A 195 16.450 -1.766 4.901 1.00 0.43 H new ATOM 0 HD2 LYS A 195 16.703 0.699 3.129 1.00 0.46 H new ATOM 0 HD3 LYS A 195 17.958 0.158 4.226 1.00 0.46 H new ATOM 0 HE2 LYS A 195 17.879 -2.102 3.035 1.00 0.53 H new ATOM 0 HE3 LYS A 195 16.825 -1.359 1.848 1.00 0.53 H new ATOM 0 HZ1 LYS A 195 19.120 -1.326 1.126 1.00 1.11 H new ATOM 0 HZ2 LYS A 195 18.563 0.261 1.360 1.00 1.11 H new ATOM 0 HZ3 LYS A 195 19.584 -0.459 2.510 1.00 1.11 H new ATOM 2176 N VAL A 196 14.366 2.340 4.202 1.00 0.41 N ATOM 2177 CA VAL A 196 14.868 3.631 3.785 1.00 0.45 C ATOM 2178 C VAL A 196 16.375 3.677 3.953 1.00 0.43 C ATOM 2179 O VAL A 196 16.954 2.962 4.772 1.00 0.41 O ATOM 2180 CB VAL A 196 14.228 4.789 4.557 1.00 0.51 C ATOM 2181 CG1 VAL A 196 14.347 6.067 3.756 1.00 0.70 C ATOM 2182 CG2 VAL A 196 12.772 4.487 4.895 1.00 0.68 C ATOM 0 H VAL A 196 14.107 2.283 5.187 1.00 0.41 H new ATOM 0 HA VAL A 196 14.602 3.754 2.735 1.00 0.45 H new ATOM 0 HB VAL A 196 14.760 4.916 5.500 1.00 0.51 H new ATOM 0 HG11 VAL A 196 13.890 6.887 4.310 1.00 0.70 H new ATOM 0 HG12 VAL A 196 15.399 6.290 3.580 1.00 0.70 H new ATOM 0 HG13 VAL A 196 13.837 5.946 2.800 1.00 0.70 H new ATOM 0 HG21 VAL A 196 12.344 5.327 5.443 1.00 0.68 H new ATOM 0 HG22 VAL A 196 12.210 4.330 3.974 1.00 0.68 H new ATOM 0 HG23 VAL A 196 12.720 3.588 5.510 1.00 0.68 H new ATOM 2192 N ILE A 197 16.993 4.503 3.137 1.00 0.47 N ATOM 2193 CA ILE A 197 18.438 4.487 2.952 1.00 0.45 C ATOM 2194 C ILE A 197 19.133 5.417 3.927 1.00 0.45 C ATOM 2195 O ILE A 197 20.019 5.006 4.675 1.00 0.49 O ATOM 2196 CB ILE A 197 18.828 4.922 1.525 1.00 0.47 C ATOM 2197 CG1 ILE A 197 17.718 4.600 0.528 1.00 0.60 C ATOM 2198 CG2 ILE A 197 20.122 4.247 1.103 1.00 0.47 C ATOM 2199 CD1 ILE A 197 17.329 3.142 0.482 1.00 0.62 C ATOM 0 H ILE A 197 16.511 5.208 2.579 1.00 0.47 H new ATOM 0 HA ILE A 197 18.756 3.459 3.128 1.00 0.45 H new ATOM 0 HB ILE A 197 18.976 6.002 1.531 1.00 0.47 H new ATOM 0 HG12 ILE A 197 16.837 5.191 0.779 1.00 0.60 H new ATOM 0 HG13 ILE A 197 18.038 4.910 -0.467 1.00 0.60 H new ATOM 0 HG21 ILE A 197 20.385 4.563 0.094 1.00 0.47 H new ATOM 0 HG22 ILE A 197 20.920 4.528 1.791 1.00 0.47 H new ATOM 0 HG23 ILE A 197 19.991 3.165 1.121 1.00 0.47 H new ATOM 0 HD11 ILE A 197 16.535 3.000 -0.251 1.00 0.62 H new ATOM 0 HD12 ILE A 197 18.195 2.543 0.200 1.00 0.62 H new ATOM 0 HD13 ILE A 197 16.976 2.828 1.464 1.00 0.62 H new ATOM 2211 N LYS A 198 18.748 6.678 3.886 1.00 0.47 N ATOM 2212 CA LYS A 198 19.368 7.689 4.726 1.00 0.49 C ATOM 2213 C LYS A 198 18.340 8.692 5.239 1.00 0.48 C ATOM 2214 O LYS A 198 17.152 8.584 4.928 1.00 0.49 O ATOM 2215 CB LYS A 198 20.495 8.401 3.958 1.00 0.59 C ATOM 2216 CG LYS A 198 20.061 8.993 2.629 1.00 0.75 C ATOM 2217 CD LYS A 198 19.580 10.424 2.788 1.00 0.94 C ATOM 2218 CE LYS A 198 18.479 10.752 1.800 1.00 0.98 C ATOM 2219 NZ LYS A 198 18.125 12.195 1.828 1.00 1.38 N ATOM 0 H LYS A 198 18.007 7.029 3.279 1.00 0.47 H new ATOM 0 HA LYS A 198 19.799 7.191 5.594 1.00 0.49 H new ATOM 0 HB2 LYS A 198 20.900 9.197 4.583 1.00 0.59 H new ATOM 0 HB3 LYS A 198 21.304 7.692 3.781 1.00 0.59 H new ATOM 0 HG2 LYS A 198 20.894 8.964 1.927 1.00 0.75 H new ATOM 0 HG3 LYS A 198 19.263 8.385 2.202 1.00 0.75 H new ATOM 0 HD2 LYS A 198 19.216 10.576 3.804 1.00 0.94 H new ATOM 0 HD3 LYS A 198 20.416 11.108 2.643 1.00 0.94 H new ATOM 0 HE2 LYS A 198 18.798 10.475 0.795 1.00 0.98 H new ATOM 0 HE3 LYS A 198 17.595 10.156 2.029 1.00 0.98 H new ATOM 0 HZ1 LYS A 198 17.417 12.393 1.092 1.00 1.38 H new ATOM 0 HZ2 LYS A 198 17.733 12.438 2.760 1.00 1.38 H new ATOM 0 HZ3 LYS A 198 18.977 12.765 1.651 1.00 1.38 H new ATOM 2233 N ASP A 199 18.825 9.672 6.000 1.00 0.52 N ATOM 2234 CA ASP A 199 17.983 10.674 6.654 1.00 0.56 C ATOM 2235 C ASP A 199 16.960 11.297 5.703 1.00 0.55 C ATOM 2236 O ASP A 199 17.300 11.798 4.629 1.00 0.67 O ATOM 2237 CB ASP A 199 18.857 11.779 7.259 1.00 0.67 C ATOM 2238 CG ASP A 199 19.746 11.282 8.384 1.00 1.56 C ATOM 2239 OD1 ASP A 199 20.652 10.463 8.119 1.00 2.23 O ATOM 2240 OD2 ASP A 199 19.538 11.698 9.547 1.00 2.13 O ATOM 0 H ASP A 199 19.821 9.794 6.182 1.00 0.52 H new ATOM 0 HA ASP A 199 17.429 10.159 7.438 1.00 0.56 H new ATOM 0 HB2 ASP A 199 19.479 12.212 6.476 1.00 0.67 H new ATOM 0 HB3 ASP A 199 18.216 12.577 7.635 1.00 0.67 H new ATOM 2245 N ILE A 200 15.700 11.254 6.114 1.00 0.52 N ATOM 2246 CA ILE A 200 14.615 11.854 5.351 1.00 0.55 C ATOM 2247 C ILE A 200 14.291 13.244 5.878 1.00 0.54 C ATOM 2248 O ILE A 200 14.267 13.468 7.090 1.00 0.57 O ATOM 2249 CB ILE A 200 13.337 10.980 5.405 1.00 0.63 C ATOM 2250 CG1 ILE A 200 13.502 9.732 4.537 1.00 0.69 C ATOM 2251 CG2 ILE A 200 12.101 11.765 4.970 1.00 0.80 C ATOM 2252 CD1 ILE A 200 13.716 10.039 3.068 1.00 0.88 C ATOM 0 H ILE A 200 15.403 10.805 6.980 1.00 0.52 H new ATOM 0 HA ILE A 200 14.949 11.926 4.316 1.00 0.55 H new ATOM 0 HB ILE A 200 13.193 10.674 6.441 1.00 0.63 H new ATOM 0 HG12 ILE A 200 14.348 9.152 4.906 1.00 0.69 H new ATOM 0 HG13 ILE A 200 12.616 9.106 4.644 1.00 0.69 H new ATOM 0 HG21 ILE A 200 11.224 11.120 5.021 1.00 0.80 H new ATOM 0 HG22 ILE A 200 11.961 12.620 5.632 1.00 0.80 H new ATOM 0 HG23 ILE A 200 12.235 12.116 3.947 1.00 0.80 H new ATOM 0 HD11 ILE A 200 13.825 9.107 2.514 1.00 0.88 H new ATOM 0 HD12 ILE A 200 12.859 10.592 2.683 1.00 0.88 H new ATOM 0 HD13 ILE A 200 14.618 10.639 2.949 1.00 0.88 H new ATOM 2264 N GLU A 201 14.063 14.173 4.961 1.00 0.55 N ATOM 2265 CA GLU A 201 13.628 15.513 5.320 1.00 0.57 C ATOM 2266 C GLU A 201 12.111 15.537 5.452 1.00 0.49 C ATOM 2267 O GLU A 201 11.405 15.000 4.597 1.00 0.55 O ATOM 2268 CB GLU A 201 14.059 16.522 4.254 1.00 0.68 C ATOM 2269 CG GLU A 201 15.552 16.548 4.006 1.00 0.81 C ATOM 2270 CD GLU A 201 16.341 16.839 5.259 1.00 1.29 C ATOM 2271 OE1 GLU A 201 16.269 17.980 5.759 1.00 1.51 O ATOM 2272 OE2 GLU A 201 17.037 15.930 5.756 1.00 2.06 O ATOM 0 H GLU A 201 14.173 14.021 3.958 1.00 0.55 H new ATOM 0 HA GLU A 201 14.088 15.786 6.270 1.00 0.57 H new ATOM 0 HB2 GLU A 201 13.549 16.289 3.319 1.00 0.68 H new ATOM 0 HB3 GLU A 201 13.733 17.517 4.556 1.00 0.68 H new ATOM 0 HG2 GLU A 201 15.866 15.587 3.598 1.00 0.81 H new ATOM 0 HG3 GLU A 201 15.779 17.304 3.254 1.00 0.81 H new ATOM 2279 N PRO A 202 11.586 16.136 6.531 1.00 0.43 N ATOM 2280 CA PRO A 202 10.145 16.277 6.713 1.00 0.43 C ATOM 2281 C PRO A 202 9.493 16.974 5.521 1.00 0.45 C ATOM 2282 O PRO A 202 9.738 18.156 5.266 1.00 0.51 O ATOM 2283 CB PRO A 202 10.022 17.133 7.976 1.00 0.49 C ATOM 2284 CG PRO A 202 11.298 16.915 8.711 1.00 0.49 C ATOM 2285 CD PRO A 202 12.349 16.702 7.657 1.00 0.45 C ATOM 0 HA PRO A 202 9.642 15.314 6.797 1.00 0.43 H new ATOM 0 HB2 PRO A 202 9.883 18.185 7.728 1.00 0.49 H new ATOM 0 HB3 PRO A 202 9.164 16.831 8.576 1.00 0.49 H new ATOM 0 HG2 PRO A 202 11.540 17.774 9.336 1.00 0.49 H new ATOM 0 HG3 PRO A 202 11.226 16.051 9.371 1.00 0.49 H new ATOM 0 HD2 PRO A 202 12.839 17.636 7.382 1.00 0.45 H new ATOM 0 HD3 PRO A 202 13.129 16.021 7.998 1.00 0.45 H new ATOM 2293 N GLY A 203 8.670 16.236 4.792 1.00 0.44 N ATOM 2294 CA GLY A 203 7.999 16.796 3.640 1.00 0.52 C ATOM 2295 C GLY A 203 8.296 16.050 2.352 1.00 0.54 C ATOM 2296 O GLY A 203 7.614 16.261 1.351 1.00 0.70 O ATOM 0 H GLY A 203 8.455 15.257 4.979 1.00 0.44 H new ATOM 0 HA2 GLY A 203 6.923 16.790 3.816 1.00 0.52 H new ATOM 0 HA3 GLY A 203 8.297 17.838 3.525 1.00 0.52 H new ATOM 2300 N GLU A 204 9.303 15.178 2.358 1.00 0.48 N ATOM 2301 CA GLU A 204 9.638 14.417 1.155 1.00 0.51 C ATOM 2302 C GLU A 204 9.678 12.914 1.429 1.00 0.39 C ATOM 2303 O GLU A 204 10.402 12.442 2.304 1.00 0.40 O ATOM 2304 CB GLU A 204 10.979 14.887 0.577 1.00 0.65 C ATOM 2305 CG GLU A 204 12.135 14.825 1.561 1.00 0.71 C ATOM 2306 CD GLU A 204 13.434 15.323 0.967 1.00 0.99 C ATOM 2307 OE1 GLU A 204 14.330 14.490 0.705 1.00 1.16 O ATOM 2308 OE2 GLU A 204 13.565 16.545 0.748 1.00 1.27 O ATOM 0 H GLU A 204 9.892 14.983 3.167 1.00 0.48 H new ATOM 0 HA GLU A 204 8.852 14.601 0.423 1.00 0.51 H new ATOM 0 HB2 GLU A 204 11.222 14.275 -0.292 1.00 0.65 H new ATOM 0 HB3 GLU A 204 10.871 15.913 0.224 1.00 0.65 H new ATOM 0 HG2 GLU A 204 11.890 15.421 2.441 1.00 0.71 H new ATOM 0 HG3 GLU A 204 12.265 13.797 1.898 1.00 0.71 H new ATOM 2315 N GLU A 205 8.867 12.170 0.688 1.00 0.47 N ATOM 2316 CA GLU A 205 8.857 10.716 0.772 1.00 0.51 C ATOM 2317 C GLU A 205 9.406 10.084 -0.505 1.00 0.43 C ATOM 2318 O GLU A 205 8.844 10.265 -1.582 1.00 0.49 O ATOM 2319 CB GLU A 205 7.441 10.207 1.053 1.00 0.80 C ATOM 2320 CG GLU A 205 6.379 10.792 0.131 1.00 1.49 C ATOM 2321 CD GLU A 205 5.737 9.751 -0.762 1.00 2.41 C ATOM 2322 OE1 GLU A 205 6.003 9.757 -1.982 1.00 2.84 O ATOM 2323 OE2 GLU A 205 4.960 8.924 -0.245 1.00 2.92 O ATOM 0 H GLU A 205 8.202 12.554 0.017 1.00 0.47 H new ATOM 0 HA GLU A 205 9.506 10.423 1.597 1.00 0.51 H new ATOM 0 HB2 GLU A 205 7.431 9.121 0.959 1.00 0.80 H new ATOM 0 HB3 GLU A 205 7.180 10.440 2.085 1.00 0.80 H new ATOM 0 HG2 GLU A 205 5.608 11.273 0.732 1.00 1.49 H new ATOM 0 HG3 GLU A 205 6.830 11.567 -0.489 1.00 1.49 H new ATOM 2330 N LEU A 206 10.527 9.383 -0.401 1.00 0.37 N ATOM 2331 CA LEU A 206 11.019 8.602 -1.529 1.00 0.36 C ATOM 2332 C LEU A 206 11.200 7.145 -1.107 1.00 0.36 C ATOM 2333 O LEU A 206 12.204 6.802 -0.493 1.00 0.39 O ATOM 2334 CB LEU A 206 12.368 9.145 -2.055 1.00 0.41 C ATOM 2335 CG LEU A 206 12.430 10.626 -2.467 1.00 0.44 C ATOM 2336 CD1 LEU A 206 11.267 11.005 -3.379 1.00 0.90 C ATOM 2337 CD2 LEU A 206 12.497 11.521 -1.238 1.00 0.84 C ATOM 0 H LEU A 206 11.105 9.338 0.438 1.00 0.37 H new ATOM 0 HA LEU A 206 10.283 8.677 -2.329 1.00 0.36 H new ATOM 0 HB2 LEU A 206 13.120 8.980 -1.284 1.00 0.41 H new ATOM 0 HB3 LEU A 206 12.658 8.544 -2.917 1.00 0.41 H new ATOM 0 HG LEU A 206 13.343 10.778 -3.042 1.00 0.44 H new ATOM 0 HD11 LEU A 206 11.345 12.058 -3.649 1.00 0.90 H new ATOM 0 HD12 LEU A 206 11.299 10.396 -4.282 1.00 0.90 H new ATOM 0 HD13 LEU A 206 10.325 10.832 -2.858 1.00 0.90 H new ATOM 0 HD21 LEU A 206 12.540 12.565 -1.550 1.00 0.84 H new ATOM 0 HD22 LEU A 206 11.611 11.362 -0.624 1.00 0.84 H new ATOM 0 HD23 LEU A 206 13.388 11.278 -0.659 1.00 0.84 H new ATOM 2349 N LEU A 207 10.235 6.293 -1.451 1.00 0.37 N ATOM 2350 CA LEU A 207 10.305 4.855 -1.158 1.00 0.40 C ATOM 2351 C LEU A 207 9.606 4.057 -2.262 1.00 0.43 C ATOM 2352 O LEU A 207 8.388 4.122 -2.410 1.00 0.53 O ATOM 2353 CB LEU A 207 9.673 4.500 0.209 1.00 0.43 C ATOM 2354 CG LEU A 207 10.562 4.670 1.455 1.00 0.45 C ATOM 2355 CD1 LEU A 207 11.983 4.193 1.190 1.00 0.49 C ATOM 2356 CD2 LEU A 207 10.548 6.111 1.951 1.00 0.44 C ATOM 0 H LEU A 207 9.385 6.575 -1.939 1.00 0.37 H new ATOM 0 HA LEU A 207 11.362 4.591 -1.115 1.00 0.40 H new ATOM 0 HB2 LEU A 207 8.783 5.116 0.341 1.00 0.43 H new ATOM 0 HB3 LEU A 207 9.340 3.463 0.169 1.00 0.43 H new ATOM 0 HG LEU A 207 10.146 4.044 2.244 1.00 0.45 H new ATOM 0 HD11 LEU A 207 12.585 4.326 2.089 1.00 0.49 H new ATOM 0 HD12 LEU A 207 11.968 3.138 0.917 1.00 0.49 H new ATOM 0 HD13 LEU A 207 12.415 4.773 0.374 1.00 0.49 H new ATOM 0 HD21 LEU A 207 11.185 6.199 2.831 1.00 0.44 H new ATOM 0 HD22 LEU A 207 10.921 6.769 1.166 1.00 0.44 H new ATOM 0 HD23 LEU A 207 9.529 6.397 2.211 1.00 0.44 H new ATOM 2368 N VAL A 208 10.365 3.290 -3.022 1.00 0.43 N ATOM 2369 CA VAL A 208 9.806 2.524 -4.124 1.00 0.50 C ATOM 2370 C VAL A 208 10.689 1.319 -4.415 1.00 0.57 C ATOM 2371 O VAL A 208 11.853 1.292 -4.010 1.00 0.59 O ATOM 2372 CB VAL A 208 9.671 3.388 -5.402 1.00 0.48 C ATOM 2373 CG1 VAL A 208 11.020 3.559 -6.084 1.00 0.91 C ATOM 2374 CG2 VAL A 208 8.649 2.783 -6.352 1.00 0.88 C ATOM 0 H VAL A 208 11.371 3.180 -2.898 1.00 0.43 H new ATOM 0 HA VAL A 208 8.810 2.191 -3.831 1.00 0.50 H new ATOM 0 HB VAL A 208 9.317 4.377 -5.112 1.00 0.48 H new ATOM 0 HG11 VAL A 208 10.900 4.169 -6.979 1.00 0.91 H new ATOM 0 HG12 VAL A 208 11.714 4.049 -5.401 1.00 0.91 H new ATOM 0 HG13 VAL A 208 11.414 2.581 -6.361 1.00 0.91 H new ATOM 0 HG21 VAL A 208 8.569 3.405 -7.244 1.00 0.88 H new ATOM 0 HG22 VAL A 208 8.966 1.780 -6.636 1.00 0.88 H new ATOM 0 HG23 VAL A 208 7.679 2.731 -5.858 1.00 0.88 H new ATOM 2384 N HIS A 209 10.139 0.321 -5.086 1.00 0.69 N ATOM 2385 CA HIS A 209 10.957 -0.749 -5.606 1.00 0.82 C ATOM 2386 C HIS A 209 11.373 -0.365 -7.010 1.00 0.94 C ATOM 2387 O HIS A 209 10.551 -0.353 -7.927 1.00 1.09 O ATOM 2388 CB HIS A 209 10.192 -2.077 -5.630 1.00 1.02 C ATOM 2389 CG HIS A 209 11.057 -3.260 -5.957 1.00 1.20 C ATOM 2390 ND1 HIS A 209 11.826 -4.017 -5.138 1.00 1.42 N flip ATOM 2391 CD2 HIS A 209 11.171 -3.734 -7.241 1.00 1.41 C flip ATOM 2392 CE1 HIS A 209 12.426 -4.967 -5.921 1.00 1.54 C flip ATOM 2393 NE2 HIS A 209 12.004 -4.757 -7.173 1.00 1.55 N flip ATOM 0 H HIS A 209 9.141 0.234 -5.279 1.00 0.69 H new ATOM 0 HA HIS A 209 11.827 -0.890 -4.965 1.00 0.82 H new ATOM 0 HB2 HIS A 209 9.725 -2.236 -4.658 1.00 1.02 H new ATOM 0 HB3 HIS A 209 9.388 -2.011 -6.363 1.00 1.02 H new ATOM 0 HD2 HIS A 209 10.681 -3.350 -8.124 1.00 1.41 H new ATOM 0 HE1 HIS A 209 13.108 -5.737 -5.591 1.00 1.54 H new ATOM 0 HE2 HIS A 209 12.290 -5.317 -7.976 1.00 1.55 H new ATOM 2401 N VAL A 210 12.632 -0.020 -7.170 1.00 1.14 N ATOM 2402 CA VAL A 210 13.148 0.345 -8.469 1.00 1.45 C ATOM 2403 C VAL A 210 13.306 -0.895 -9.336 1.00 1.58 C ATOM 2404 O VAL A 210 13.932 -1.877 -8.934 1.00 1.82 O ATOM 2405 CB VAL A 210 14.484 1.113 -8.359 1.00 1.92 C ATOM 2406 CG1 VAL A 210 14.271 2.447 -7.657 1.00 2.56 C ATOM 2407 CG2 VAL A 210 15.543 0.294 -7.632 1.00 2.44 C ATOM 0 H VAL A 210 13.317 0.015 -6.415 1.00 1.14 H new ATOM 0 HA VAL A 210 12.429 1.016 -8.940 1.00 1.45 H new ATOM 0 HB VAL A 210 14.845 1.298 -9.371 1.00 1.92 H new ATOM 0 HG11 VAL A 210 15.221 2.977 -7.587 1.00 2.56 H new ATOM 0 HG12 VAL A 210 13.561 3.048 -8.225 1.00 2.56 H new ATOM 0 HG13 VAL A 210 13.878 2.272 -6.655 1.00 2.56 H new ATOM 0 HG21 VAL A 210 16.469 0.866 -7.574 1.00 2.44 H new ATOM 0 HG22 VAL A 210 15.196 0.062 -6.625 1.00 2.44 H new ATOM 0 HG23 VAL A 210 15.723 -0.633 -8.176 1.00 2.44 H new