USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 191 GLN : amide:sc= -0.567 K(o=-0.57,f=-1.4!) USER MOD Set 1.2: A 193 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 185 MET CE :methyl 169:sc= -0.868 (180deg=-1.61) USER MOD Set 2.2: A 209 HIS : no HD1:sc= 0 K(o=-0.87,f=-1.6) USER MOD Single : A 89 SER OG : rot 180:sc= -0.176 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -173:sc= 0.511! (180deg=0.315!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl -150:sc= -2.59! (180deg=-3.77) USER MOD Single : A 113 CYS SG : rot 148:sc= 0.173 USER MOD Single : A 167 SER OG : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ -170:sc=-0.00386 (180deg=-0.117) USER MOD Single : A 171 TYR OH : rot 120:sc= 0 USER MOD Single : A 176 CYS SG : rot 137:sc= 0.862 USER MOD Single : A 177 SER OG : rot 170:sc= 0.259 USER MOD Single : A 178 CYS SG : rot 180:sc= 0 USER MOD Single : A 181 GLN :FLIP amide:sc= -0.118 F(o=-0.94,f=-0.12) USER MOD Single : A 182 ASN : amide:sc= -1.91 X(o=-1.9,f=-2) USER MOD Single : A 184 THR OG1 : rot -170:sc= -0.13 USER MOD Single : A 186 CYS SG : rot 180:sc= 0 USER MOD Single : A 187 GLN : amide:sc= -0.506 K(o=-0.51,f=-1.6) USER MOD Single : A 189 SER OG : rot 180:sc= 0 USER MOD Single : A 194 TYR OH : rot 138:sc= 0.106 USER MOD Single : A 195 LYS NZ :NH3+ -170:sc=-0.00138 (180deg=-0.108) USER MOD Single : A 198 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00715) USER MOD ----------------------------------------------------------------- ATOM 388 N ILE A 78 -7.628 5.424 4.016 1.00 1.90 N ATOM 389 CA ILE A 78 -6.780 4.288 4.339 1.00 1.74 C ATOM 390 C ILE A 78 -5.913 4.609 5.555 1.00 1.48 C ATOM 391 O ILE A 78 -5.273 5.661 5.603 1.00 1.42 O ATOM 392 CB ILE A 78 -5.882 3.915 3.138 1.00 1.86 C ATOM 393 CG1 ILE A 78 -6.751 3.593 1.921 1.00 2.18 C ATOM 394 CG2 ILE A 78 -4.977 2.734 3.478 1.00 1.84 C ATOM 395 CD1 ILE A 78 -5.961 3.273 0.673 1.00 2.45 C ATOM 0 HA ILE A 78 -7.421 3.437 4.570 1.00 1.74 H new ATOM 0 HB ILE A 78 -5.244 4.767 2.904 1.00 1.86 H new ATOM 0 HG12 ILE A 78 -7.394 2.746 2.160 1.00 2.18 H new ATOM 0 HG13 ILE A 78 -7.404 4.442 1.718 1.00 2.18 H new ATOM 0 HG21 ILE A 78 -4.356 2.492 2.616 1.00 1.84 H new ATOM 0 HG22 ILE A 78 -4.340 2.995 4.323 1.00 1.84 H new ATOM 0 HG23 ILE A 78 -5.589 1.870 3.738 1.00 1.84 H new ATOM 0 HD11 ILE A 78 -6.647 3.056 -0.146 1.00 2.45 H new ATOM 0 HD12 ILE A 78 -5.338 4.127 0.408 1.00 2.45 H new ATOM 0 HD13 ILE A 78 -5.328 2.405 0.856 1.00 2.45 H new ATOM 407 N PRO A 79 -5.913 3.721 6.564 1.00 1.44 N ATOM 408 CA PRO A 79 -5.137 3.914 7.794 1.00 1.27 C ATOM 409 C PRO A 79 -3.636 4.028 7.533 1.00 1.11 C ATOM 410 O PRO A 79 -3.021 3.130 6.950 1.00 1.23 O ATOM 411 CB PRO A 79 -5.443 2.659 8.624 1.00 1.50 C ATOM 412 CG PRO A 79 -5.979 1.665 7.653 1.00 1.75 C ATOM 413 CD PRO A 79 -6.676 2.461 6.590 1.00 1.70 C ATOM 0 HA PRO A 79 -5.408 4.845 8.293 1.00 1.27 H new ATOM 0 HB2 PRO A 79 -4.545 2.284 9.115 1.00 1.50 H new ATOM 0 HB3 PRO A 79 -6.169 2.874 9.408 1.00 1.50 H new ATOM 0 HG2 PRO A 79 -5.176 1.064 7.227 1.00 1.75 H new ATOM 0 HG3 PRO A 79 -6.669 0.976 8.140 1.00 1.75 H new ATOM 0 HD2 PRO A 79 -6.651 1.954 5.625 1.00 1.70 H new ATOM 0 HD3 PRO A 79 -7.725 2.629 6.835 1.00 1.70 H new ATOM 421 N ILE A 80 -3.057 5.140 7.965 1.00 0.93 N ATOM 422 CA ILE A 80 -1.632 5.383 7.807 1.00 0.82 C ATOM 423 C ILE A 80 -1.018 5.747 9.156 1.00 0.72 C ATOM 424 O ILE A 80 -1.695 6.317 10.014 1.00 0.74 O ATOM 425 CB ILE A 80 -1.328 6.516 6.786 1.00 0.86 C ATOM 426 CG1 ILE A 80 -1.819 7.887 7.287 1.00 0.89 C ATOM 427 CG2 ILE A 80 -1.953 6.200 5.436 1.00 1.01 C ATOM 428 CD1 ILE A 80 -3.314 8.101 7.160 1.00 0.99 C ATOM 0 H ILE A 80 -3.560 5.895 8.432 1.00 0.93 H new ATOM 0 HA ILE A 80 -1.193 4.463 7.421 1.00 0.82 H new ATOM 0 HB ILE A 80 -0.245 6.570 6.676 1.00 0.86 H new ATOM 0 HG12 ILE A 80 -1.536 8.001 8.333 1.00 0.89 H new ATOM 0 HG13 ILE A 80 -1.304 8.670 6.730 1.00 0.89 H new ATOM 0 HG21 ILE A 80 -1.730 7.004 4.735 1.00 1.01 H new ATOM 0 HG22 ILE A 80 -1.545 5.263 5.056 1.00 1.01 H new ATOM 0 HG23 ILE A 80 -3.033 6.106 5.548 1.00 1.01 H new ATOM 0 HD11 ILE A 80 -3.573 9.091 7.536 1.00 0.99 H new ATOM 0 HD12 ILE A 80 -3.605 8.023 6.113 1.00 0.99 H new ATOM 0 HD13 ILE A 80 -3.841 7.343 7.740 1.00 0.99 H new ATOM 440 N PRO A 81 0.263 5.401 9.369 1.00 0.68 N ATOM 441 CA PRO A 81 0.976 5.733 10.605 1.00 0.67 C ATOM 442 C PRO A 81 1.056 7.239 10.827 1.00 0.64 C ATOM 443 O PRO A 81 1.238 8.006 9.881 1.00 0.61 O ATOM 444 CB PRO A 81 2.375 5.149 10.393 1.00 0.69 C ATOM 445 CG PRO A 81 2.224 4.149 9.300 1.00 0.71 C ATOM 446 CD PRO A 81 1.110 4.652 8.430 1.00 0.73 C ATOM 0 HA PRO A 81 0.471 5.334 11.485 1.00 0.67 H new ATOM 0 HB2 PRO A 81 3.088 5.926 10.119 1.00 0.69 H new ATOM 0 HB3 PRO A 81 2.748 4.682 11.304 1.00 0.69 H new ATOM 0 HG2 PRO A 81 3.149 4.050 8.731 1.00 0.71 H new ATOM 0 HG3 PRO A 81 1.990 3.163 9.703 1.00 0.71 H new ATOM 0 HD2 PRO A 81 1.482 5.289 7.627 1.00 0.73 H new ATOM 0 HD3 PRO A 81 0.565 3.833 7.961 1.00 0.73 H new ATOM 454 N ALA A 82 0.950 7.652 12.085 1.00 0.75 N ATOM 455 CA ALA A 82 0.875 9.069 12.440 1.00 0.80 C ATOM 456 C ALA A 82 2.185 9.805 12.170 1.00 0.71 C ATOM 457 O ALA A 82 2.263 11.021 12.329 1.00 0.78 O ATOM 458 CB ALA A 82 0.486 9.223 13.900 1.00 1.04 C ATOM 0 H ALA A 82 0.914 7.020 12.885 1.00 0.75 H new ATOM 0 HA ALA A 82 0.111 9.520 11.806 1.00 0.80 H new ATOM 0 HB1 ALA A 82 0.433 10.282 14.153 1.00 1.04 H new ATOM 0 HB2 ALA A 82 -0.487 8.761 14.068 1.00 1.04 H new ATOM 0 HB3 ALA A 82 1.232 8.737 14.529 1.00 1.04 H new ATOM 464 N ASP A 83 3.212 9.072 11.769 1.00 0.67 N ATOM 465 CA ASP A 83 4.503 9.671 11.458 1.00 0.70 C ATOM 466 C ASP A 83 4.558 10.123 9.998 1.00 0.55 C ATOM 467 O ASP A 83 5.521 10.761 9.569 1.00 0.60 O ATOM 468 CB ASP A 83 5.640 8.687 11.749 1.00 0.88 C ATOM 469 CG ASP A 83 5.841 8.443 13.234 1.00 1.05 C ATOM 470 OD1 ASP A 83 6.471 9.284 13.900 1.00 1.39 O ATOM 471 OD2 ASP A 83 5.371 7.409 13.747 1.00 1.66 O ATOM 0 H ASP A 83 3.178 8.059 11.651 1.00 0.67 H new ATOM 0 HA ASP A 83 4.628 10.547 12.095 1.00 0.70 H new ATOM 0 HB2 ASP A 83 5.429 7.739 11.255 1.00 0.88 H new ATOM 0 HB3 ASP A 83 6.566 9.071 11.320 1.00 0.88 H new ATOM 476 N PHE A 84 3.499 9.824 9.248 1.00 0.45 N ATOM 477 CA PHE A 84 3.448 10.140 7.820 1.00 0.41 C ATOM 478 C PHE A 84 2.066 10.669 7.475 1.00 0.40 C ATOM 479 O PHE A 84 1.081 10.293 8.103 1.00 0.56 O ATOM 480 CB PHE A 84 3.762 8.904 6.965 1.00 0.42 C ATOM 481 CG PHE A 84 4.907 8.089 7.494 1.00 0.56 C ATOM 482 CD1 PHE A 84 4.671 6.919 8.195 1.00 0.66 C ATOM 483 CD2 PHE A 84 6.215 8.506 7.315 1.00 0.79 C ATOM 484 CE1 PHE A 84 5.716 6.177 8.705 1.00 0.87 C ATOM 485 CE2 PHE A 84 7.265 7.767 7.820 1.00 0.98 C ATOM 486 CZ PHE A 84 7.015 6.601 8.519 1.00 1.00 C ATOM 0 H PHE A 84 2.663 9.362 9.605 1.00 0.45 H new ATOM 0 HA PHE A 84 4.202 10.897 7.604 1.00 0.41 H new ATOM 0 HB2 PHE A 84 2.874 8.275 6.908 1.00 0.42 H new ATOM 0 HB3 PHE A 84 3.992 9.223 5.948 1.00 0.42 H new ATOM 0 HD1 PHE A 84 3.656 6.583 8.345 1.00 0.66 H new ATOM 0 HD2 PHE A 84 6.416 9.419 6.774 1.00 0.79 H new ATOM 0 HE1 PHE A 84 5.517 5.265 9.249 1.00 0.87 H new ATOM 0 HE2 PHE A 84 8.281 8.099 7.669 1.00 0.98 H new ATOM 0 HZ PHE A 84 7.835 6.023 8.919 1.00 1.00 H new ATOM 496 N GLU A 85 1.988 11.565 6.511 1.00 0.39 N ATOM 497 CA GLU A 85 0.714 12.149 6.133 1.00 0.44 C ATOM 498 C GLU A 85 0.383 11.822 4.687 1.00 0.39 C ATOM 499 O GLU A 85 1.152 12.140 3.786 1.00 0.40 O ATOM 500 CB GLU A 85 0.749 13.663 6.317 1.00 0.61 C ATOM 501 CG GLU A 85 -0.619 14.310 6.220 1.00 1.15 C ATOM 502 CD GLU A 85 -1.571 13.794 7.275 1.00 1.60 C ATOM 503 OE1 GLU A 85 -1.376 14.117 8.462 1.00 1.88 O ATOM 504 OE2 GLU A 85 -2.535 13.084 6.915 1.00 2.27 O ATOM 0 H GLU A 85 2.788 11.904 5.976 1.00 0.39 H new ATOM 0 HA GLU A 85 -0.057 11.726 6.777 1.00 0.44 H new ATOM 0 HB2 GLU A 85 1.185 13.894 7.289 1.00 0.61 H new ATOM 0 HB3 GLU A 85 1.404 14.099 5.563 1.00 0.61 H new ATOM 0 HG2 GLU A 85 -0.516 15.390 6.323 1.00 1.15 H new ATOM 0 HG3 GLU A 85 -1.038 14.122 5.232 1.00 1.15 H new ATOM 511 N LEU A 86 -0.755 11.195 4.461 1.00 0.41 N ATOM 512 CA LEU A 86 -1.175 10.892 3.104 1.00 0.43 C ATOM 513 C LEU A 86 -1.942 12.062 2.539 1.00 0.44 C ATOM 514 O LEU A 86 -2.939 12.509 3.106 1.00 0.48 O ATOM 515 CB LEU A 86 -2.021 9.623 3.063 1.00 0.52 C ATOM 516 CG LEU A 86 -2.262 9.032 1.663 1.00 0.59 C ATOM 517 CD1 LEU A 86 -2.571 7.553 1.766 1.00 0.79 C ATOM 518 CD2 LEU A 86 -3.399 9.745 0.946 1.00 0.70 C ATOM 0 H LEU A 86 -1.400 10.888 5.189 1.00 0.41 H new ATOM 0 HA LEU A 86 -0.289 10.718 2.494 1.00 0.43 H new ATOM 0 HB2 LEU A 86 -1.538 8.865 3.680 1.00 0.52 H new ATOM 0 HB3 LEU A 86 -2.988 9.837 3.519 1.00 0.52 H new ATOM 0 HG LEU A 86 -1.351 9.174 1.082 1.00 0.59 H new ATOM 0 HD11 LEU A 86 -2.740 7.146 0.769 1.00 0.79 H new ATOM 0 HD12 LEU A 86 -1.731 7.037 2.231 1.00 0.79 H new ATOM 0 HD13 LEU A 86 -3.465 7.410 2.372 1.00 0.79 H new ATOM 0 HD21 LEU A 86 -3.542 9.302 -0.040 1.00 0.70 H new ATOM 0 HD22 LEU A 86 -4.316 9.643 1.526 1.00 0.70 H new ATOM 0 HD23 LEU A 86 -3.155 10.802 0.837 1.00 0.70 H new ATOM 530 N ARG A 87 -1.472 12.545 1.413 1.00 0.47 N ATOM 531 CA ARG A 87 -2.039 13.719 0.790 1.00 0.55 C ATOM 532 C ARG A 87 -2.016 13.559 -0.716 1.00 0.61 C ATOM 533 O ARG A 87 -0.971 13.258 -1.295 1.00 0.66 O ATOM 534 CB ARG A 87 -1.250 14.965 1.185 1.00 0.62 C ATOM 535 CG ARG A 87 -1.366 15.353 2.651 1.00 0.69 C ATOM 536 CD ARG A 87 -0.641 16.662 2.935 1.00 1.04 C ATOM 537 NE ARG A 87 -0.593 16.971 4.364 1.00 1.63 N ATOM 538 CZ ARG A 87 -1.428 17.811 4.980 1.00 2.32 C ATOM 539 NH1 ARG A 87 -2.411 18.398 4.305 1.00 2.62 N ATOM 540 NH2 ARG A 87 -1.286 18.052 6.278 1.00 3.21 N ATOM 0 H ARG A 87 -0.688 12.137 0.904 1.00 0.47 H new ATOM 0 HA ARG A 87 -3.069 13.833 1.129 1.00 0.55 H new ATOM 0 HB2 ARG A 87 -0.198 14.803 0.948 1.00 0.62 H new ATOM 0 HB3 ARG A 87 -1.589 15.802 0.574 1.00 0.62 H new ATOM 0 HG2 ARG A 87 -2.417 15.451 2.922 1.00 0.69 H new ATOM 0 HG3 ARG A 87 -0.949 14.561 3.273 1.00 0.69 H new ATOM 0 HD2 ARG A 87 0.375 16.605 2.544 1.00 1.04 H new ATOM 0 HD3 ARG A 87 -1.141 17.474 2.407 1.00 1.04 H new ATOM 0 HE ARG A 87 0.125 16.515 4.926 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -2.531 18.208 3.310 1.00 2.62 H new ATOM 0 HH12 ARG A 87 -3.045 19.039 4.782 1.00 2.62 H new ATOM 0 HH21 ARG A 87 -0.540 17.596 6.803 1.00 3.21 H new ATOM 0 HH22 ARG A 87 -1.923 18.694 6.750 1.00 3.21 H new ATOM 554 N GLU A 88 -3.163 13.741 -1.344 1.00 0.73 N ATOM 555 CA GLU A 88 -3.246 13.671 -2.788 1.00 0.84 C ATOM 556 C GLU A 88 -2.518 14.865 -3.394 1.00 0.87 C ATOM 557 O GLU A 88 -2.963 16.007 -3.268 1.00 0.98 O ATOM 558 CB GLU A 88 -4.713 13.661 -3.218 1.00 1.06 C ATOM 559 CG GLU A 88 -4.918 13.481 -4.711 1.00 1.61 C ATOM 560 CD GLU A 88 -6.379 13.564 -5.097 1.00 1.96 C ATOM 561 OE1 GLU A 88 -6.827 14.652 -5.513 1.00 2.46 O ATOM 562 OE2 GLU A 88 -7.090 12.544 -4.972 1.00 2.21 O ATOM 0 H GLU A 88 -4.048 13.938 -0.876 1.00 0.73 H new ATOM 0 HA GLU A 88 -2.774 12.754 -3.142 1.00 0.84 H new ATOM 0 HB2 GLU A 88 -5.230 12.859 -2.691 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -5.178 14.597 -2.908 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -4.357 14.245 -5.249 1.00 1.61 H new ATOM 0 HG3 GLU A 88 -4.516 12.515 -5.018 1.00 1.61 H new ATOM 569 N SER A 89 -1.394 14.592 -4.036 1.00 0.85 N ATOM 570 CA SER A 89 -0.582 15.629 -4.652 1.00 0.95 C ATOM 571 C SER A 89 0.287 15.009 -5.734 1.00 0.90 C ATOM 572 O SER A 89 1.138 14.174 -5.444 1.00 1.11 O ATOM 573 CB SER A 89 0.302 16.312 -3.604 1.00 1.03 C ATOM 574 OG SER A 89 -0.474 16.873 -2.557 1.00 1.58 O ATOM 0 H SER A 89 -1.020 13.649 -4.145 1.00 0.85 H new ATOM 0 HA SER A 89 -1.238 16.380 -5.092 1.00 0.95 H new ATOM 0 HB2 SER A 89 1.004 15.588 -3.191 1.00 1.03 H new ATOM 0 HB3 SER A 89 0.894 17.094 -4.079 1.00 1.03 H new ATOM 0 HG SER A 89 0.118 17.300 -1.903 1.00 1.58 H new ATOM 580 N SER A 90 0.057 15.398 -6.974 1.00 0.86 N ATOM 581 CA SER A 90 0.787 14.825 -8.088 1.00 0.88 C ATOM 582 C SER A 90 2.057 15.616 -8.372 1.00 0.87 C ATOM 583 O SER A 90 2.003 16.723 -8.912 1.00 1.02 O ATOM 584 CB SER A 90 -0.101 14.806 -9.330 1.00 1.13 C ATOM 585 OG SER A 90 -1.379 14.268 -9.034 1.00 1.86 O ATOM 0 H SER A 90 -0.628 16.107 -7.234 1.00 0.86 H new ATOM 0 HA SER A 90 1.071 13.806 -7.826 1.00 0.88 H new ATOM 0 HB2 SER A 90 -0.210 15.818 -9.719 1.00 1.13 H new ATOM 0 HB3 SER A 90 0.374 14.214 -10.112 1.00 1.13 H new ATOM 0 HG SER A 90 -1.930 14.268 -9.845 1.00 1.86 H new ATOM 591 N ILE A 91 3.194 15.057 -7.994 1.00 0.86 N ATOM 592 CA ILE A 91 4.475 15.645 -8.343 1.00 1.01 C ATOM 593 C ILE A 91 4.954 15.037 -9.664 1.00 1.09 C ATOM 594 O ILE A 91 5.131 13.819 -9.773 1.00 1.08 O ATOM 595 CB ILE A 91 5.523 15.464 -7.200 1.00 1.10 C ATOM 596 CG1 ILE A 91 6.876 16.116 -7.551 1.00 1.35 C ATOM 597 CG2 ILE A 91 5.703 13.995 -6.846 1.00 1.07 C ATOM 598 CD1 ILE A 91 7.812 15.245 -8.370 1.00 1.45 C ATOM 0 H ILE A 91 3.256 14.199 -7.447 1.00 0.86 H new ATOM 0 HA ILE A 91 4.356 16.721 -8.471 1.00 1.01 H new ATOM 0 HB ILE A 91 5.132 15.979 -6.323 1.00 1.10 H new ATOM 0 HG12 ILE A 91 6.687 17.038 -8.101 1.00 1.35 H new ATOM 0 HG13 ILE A 91 7.379 16.395 -6.625 1.00 1.35 H new ATOM 0 HG21 ILE A 91 6.439 13.901 -6.047 1.00 1.07 H new ATOM 0 HG22 ILE A 91 4.751 13.582 -6.513 1.00 1.07 H new ATOM 0 HG23 ILE A 91 6.049 13.449 -7.724 1.00 1.07 H new ATOM 0 HD11 ILE A 91 8.736 15.789 -8.567 1.00 1.45 H new ATOM 0 HD12 ILE A 91 8.038 14.333 -7.817 1.00 1.45 H new ATOM 0 HD13 ILE A 91 7.335 14.987 -9.315 1.00 1.45 H new ATOM 610 N PRO A 92 5.124 15.881 -10.699 1.00 1.24 N ATOM 611 CA PRO A 92 5.468 15.430 -12.053 1.00 1.37 C ATOM 612 C PRO A 92 6.726 14.573 -12.081 1.00 1.47 C ATOM 613 O PRO A 92 7.798 15.005 -11.661 1.00 1.61 O ATOM 614 CB PRO A 92 5.685 16.729 -12.837 1.00 1.58 C ATOM 615 CG PRO A 92 5.815 17.801 -11.811 1.00 1.59 C ATOM 616 CD PRO A 92 5.010 17.344 -10.629 1.00 1.37 C ATOM 0 HA PRO A 92 4.685 14.798 -12.472 1.00 1.37 H new ATOM 0 HB2 PRO A 92 6.580 16.668 -13.456 1.00 1.58 H new ATOM 0 HB3 PRO A 92 4.848 16.927 -13.506 1.00 1.58 H new ATOM 0 HG2 PRO A 92 6.859 17.953 -11.536 1.00 1.59 H new ATOM 0 HG3 PRO A 92 5.443 18.752 -12.192 1.00 1.59 H new ATOM 0 HD2 PRO A 92 5.409 17.736 -9.693 1.00 1.37 H new ATOM 0 HD3 PRO A 92 3.973 17.672 -10.696 1.00 1.37 H new ATOM 624 N GLY A 93 6.579 13.353 -12.572 1.00 1.47 N ATOM 625 CA GLY A 93 7.695 12.441 -12.647 1.00 1.62 C ATOM 626 C GLY A 93 7.585 11.312 -11.644 1.00 1.58 C ATOM 627 O GLY A 93 8.169 10.249 -11.838 1.00 1.74 O ATOM 0 H GLY A 93 5.698 12.978 -12.922 1.00 1.47 H new ATOM 0 HA2 GLY A 93 7.754 12.025 -13.653 1.00 1.62 H new ATOM 0 HA3 GLY A 93 8.621 12.989 -12.473 1.00 1.62 H new ATOM 631 N ALA A 94 6.833 11.530 -10.573 1.00 1.40 N ATOM 632 CA ALA A 94 6.651 10.498 -9.561 1.00 1.40 C ATOM 633 C ALA A 94 5.175 10.174 -9.368 1.00 1.27 C ATOM 634 O ALA A 94 4.738 9.055 -9.634 1.00 1.38 O ATOM 635 CB ALA A 94 7.285 10.917 -8.244 1.00 1.41 C ATOM 0 H ALA A 94 6.343 12.404 -10.383 1.00 1.40 H new ATOM 0 HA ALA A 94 7.151 9.595 -9.910 1.00 1.40 H new ATOM 0 HB1 ALA A 94 7.137 10.132 -7.503 1.00 1.41 H new ATOM 0 HB2 ALA A 94 8.353 11.082 -8.390 1.00 1.41 H new ATOM 0 HB3 ALA A 94 6.820 11.839 -7.894 1.00 1.41 H new ATOM 641 N GLY A 95 4.413 11.159 -8.921 1.00 1.09 N ATOM 642 CA GLY A 95 3.003 10.960 -8.689 1.00 1.02 C ATOM 643 C GLY A 95 2.592 11.392 -7.298 1.00 0.91 C ATOM 644 O GLY A 95 2.970 12.472 -6.849 1.00 1.02 O ATOM 0 H GLY A 95 4.751 12.099 -8.714 1.00 1.09 H new ATOM 0 HA2 GLY A 95 2.431 11.522 -9.427 1.00 1.02 H new ATOM 0 HA3 GLY A 95 2.757 9.907 -8.829 1.00 1.02 H new ATOM 648 N LEU A 96 1.810 10.558 -6.627 1.00 0.79 N ATOM 649 CA LEU A 96 1.386 10.826 -5.255 1.00 0.70 C ATOM 650 C LEU A 96 2.396 10.254 -4.265 1.00 0.65 C ATOM 651 O LEU A 96 3.185 9.380 -4.618 1.00 0.99 O ATOM 652 CB LEU A 96 0.011 10.202 -5.001 1.00 0.77 C ATOM 653 CG LEU A 96 -1.007 10.412 -6.120 1.00 1.35 C ATOM 654 CD1 LEU A 96 -2.242 9.556 -5.887 1.00 2.05 C ATOM 655 CD2 LEU A 96 -1.391 11.877 -6.217 1.00 2.31 C ATOM 0 H LEU A 96 1.453 9.683 -7.012 1.00 0.79 H new ATOM 0 HA LEU A 96 1.325 11.905 -5.116 1.00 0.70 H new ATOM 0 HB2 LEU A 96 0.138 9.131 -4.841 1.00 0.77 H new ATOM 0 HB3 LEU A 96 -0.395 10.616 -4.078 1.00 0.77 H new ATOM 0 HG LEU A 96 -0.550 10.108 -7.062 1.00 1.35 H new ATOM 0 HD11 LEU A 96 -2.956 9.719 -6.695 1.00 2.05 H new ATOM 0 HD12 LEU A 96 -1.956 8.504 -5.862 1.00 2.05 H new ATOM 0 HD13 LEU A 96 -2.700 9.830 -4.937 1.00 2.05 H new ATOM 0 HD21 LEU A 96 -2.117 12.010 -7.019 1.00 2.31 H new ATOM 0 HD22 LEU A 96 -1.829 12.202 -5.273 1.00 2.31 H new ATOM 0 HD23 LEU A 96 -0.503 12.473 -6.429 1.00 2.31 H new ATOM 667 N GLY A 97 2.383 10.760 -3.042 1.00 0.59 N ATOM 668 CA GLY A 97 3.263 10.237 -2.015 1.00 0.57 C ATOM 669 C GLY A 97 2.748 10.537 -0.621 1.00 0.52 C ATOM 670 O GLY A 97 1.850 11.365 -0.453 1.00 0.55 O ATOM 0 H GLY A 97 1.779 11.524 -2.740 1.00 0.59 H new ATOM 0 HA2 GLY A 97 3.366 9.159 -2.140 1.00 0.57 H new ATOM 0 HA3 GLY A 97 4.257 10.668 -2.135 1.00 0.57 H new ATOM 674 N VAL A 98 3.294 9.854 0.380 1.00 0.48 N ATOM 675 CA VAL A 98 2.930 10.130 1.761 1.00 0.46 C ATOM 676 C VAL A 98 4.010 10.979 2.428 1.00 0.47 C ATOM 677 O VAL A 98 5.164 10.570 2.565 1.00 0.67 O ATOM 678 CB VAL A 98 2.652 8.840 2.579 1.00 0.47 C ATOM 679 CG1 VAL A 98 1.496 8.065 1.963 1.00 0.49 C ATOM 680 CG2 VAL A 98 3.886 7.954 2.683 1.00 0.53 C ATOM 0 H VAL A 98 3.984 9.112 0.261 1.00 0.48 H new ATOM 0 HA VAL A 98 1.994 10.689 1.744 1.00 0.46 H new ATOM 0 HB VAL A 98 2.383 9.145 3.590 1.00 0.47 H new ATOM 0 HG11 VAL A 98 1.311 7.163 2.546 1.00 0.49 H new ATOM 0 HG12 VAL A 98 0.601 8.686 1.963 1.00 0.49 H new ATOM 0 HG13 VAL A 98 1.747 7.790 0.939 1.00 0.49 H new ATOM 0 HG21 VAL A 98 3.646 7.063 3.263 1.00 0.53 H new ATOM 0 HG22 VAL A 98 4.208 7.661 1.684 1.00 0.53 H new ATOM 0 HG23 VAL A 98 4.688 8.503 3.176 1.00 0.53 H new ATOM 690 N TRP A 99 3.622 12.172 2.829 1.00 0.38 N ATOM 691 CA TRP A 99 4.558 13.164 3.323 1.00 0.39 C ATOM 692 C TRP A 99 4.872 12.920 4.790 1.00 0.35 C ATOM 693 O TRP A 99 4.013 13.100 5.653 1.00 0.38 O ATOM 694 CB TRP A 99 3.963 14.562 3.150 1.00 0.44 C ATOM 695 CG TRP A 99 3.397 14.805 1.785 1.00 0.50 C ATOM 696 CD1 TRP A 99 2.147 14.476 1.348 1.00 0.66 C ATOM 697 CD2 TRP A 99 4.057 15.424 0.679 1.00 0.62 C ATOM 698 NE1 TRP A 99 1.990 14.854 0.037 1.00 0.69 N ATOM 699 CE2 TRP A 99 3.149 15.439 -0.396 1.00 0.66 C ATOM 700 CE3 TRP A 99 5.326 15.969 0.496 1.00 0.88 C ATOM 701 CZ2 TRP A 99 3.476 15.976 -1.636 1.00 0.82 C ATOM 702 CZ3 TRP A 99 5.649 16.501 -0.736 1.00 1.13 C ATOM 703 CH2 TRP A 99 4.726 16.504 -1.788 1.00 1.06 C ATOM 0 H TRP A 99 2.650 12.482 2.822 1.00 0.38 H new ATOM 0 HA TRP A 99 5.483 13.086 2.752 1.00 0.39 H new ATOM 0 HB2 TRP A 99 3.178 14.708 3.892 1.00 0.44 H new ATOM 0 HB3 TRP A 99 4.735 15.304 3.352 1.00 0.44 H new ATOM 0 HD1 TRP A 99 1.391 13.989 1.946 1.00 0.66 H new ATOM 0 HE1 TRP A 99 1.148 14.721 -0.522 1.00 0.69 H new ATOM 0 HE3 TRP A 99 6.044 15.975 1.303 1.00 0.88 H new ATOM 0 HZ2 TRP A 99 2.766 15.976 -2.450 1.00 0.82 H new ATOM 0 HZ3 TRP A 99 6.631 16.922 -0.891 1.00 1.13 H new ATOM 0 HH2 TRP A 99 5.008 16.932 -2.739 1.00 1.06 H new ATOM 714 N ALA A 100 6.091 12.489 5.070 1.00 0.39 N ATOM 715 CA ALA A 100 6.526 12.303 6.444 1.00 0.42 C ATOM 716 C ALA A 100 6.499 13.638 7.182 1.00 0.43 C ATOM 717 O ALA A 100 7.226 14.565 6.826 1.00 0.49 O ATOM 718 CB ALA A 100 7.922 11.690 6.481 1.00 0.54 C ATOM 0 H ALA A 100 6.794 12.262 4.367 1.00 0.39 H new ATOM 0 HA ALA A 100 5.843 11.616 6.944 1.00 0.42 H new ATOM 0 HB1 ALA A 100 8.234 11.557 7.517 1.00 0.54 H new ATOM 0 HB2 ALA A 100 7.908 10.722 5.979 1.00 0.54 H new ATOM 0 HB3 ALA A 100 8.624 12.352 5.973 1.00 0.54 H new ATOM 724 N LYS A 101 5.635 13.747 8.189 1.00 0.47 N ATOM 725 CA LYS A 101 5.548 14.966 8.987 1.00 0.57 C ATOM 726 C LYS A 101 6.639 14.968 10.048 1.00 0.56 C ATOM 727 O LYS A 101 6.832 15.949 10.769 1.00 0.63 O ATOM 728 CB LYS A 101 4.174 15.094 9.654 1.00 0.69 C ATOM 729 CG LYS A 101 3.863 13.990 10.655 1.00 1.17 C ATOM 730 CD LYS A 101 2.903 12.957 10.086 1.00 0.84 C ATOM 731 CE LYS A 101 1.516 13.531 9.896 1.00 0.88 C ATOM 732 NZ LYS A 101 0.499 12.496 9.579 1.00 1.68 N ATOM 0 H LYS A 101 4.989 13.010 8.470 1.00 0.47 H new ATOM 0 HA LYS A 101 5.684 15.819 8.322 1.00 0.57 H new ATOM 0 HB2 LYS A 101 4.117 16.057 10.162 1.00 0.69 H new ATOM 0 HB3 LYS A 101 3.406 15.096 8.881 1.00 0.69 H new ATOM 0 HG2 LYS A 101 4.790 13.499 10.952 1.00 1.17 H new ATOM 0 HG3 LYS A 101 3.432 14.428 11.555 1.00 1.17 H new ATOM 0 HD2 LYS A 101 3.282 12.595 9.130 1.00 0.84 H new ATOM 0 HD3 LYS A 101 2.853 12.098 10.755 1.00 0.84 H new ATOM 0 HE2 LYS A 101 1.220 14.058 10.803 1.00 0.88 H new ATOM 0 HE3 LYS A 101 1.540 14.267 9.093 1.00 0.88 H new ATOM 0 HZ1 LYS A 101 -0.403 12.957 9.344 1.00 1.68 H new ATOM 0 HZ2 LYS A 101 0.821 11.930 8.768 1.00 1.68 H new ATOM 0 HZ3 LYS A 101 0.366 11.876 10.403 1.00 1.68 H new ATOM 746 N ARG A 102 7.345 13.854 10.126 1.00 0.54 N ATOM 747 CA ARG A 102 8.406 13.666 11.094 1.00 0.58 C ATOM 748 C ARG A 102 9.647 13.173 10.367 1.00 0.54 C ATOM 749 O ARG A 102 9.550 12.674 9.245 1.00 0.54 O ATOM 750 CB ARG A 102 7.958 12.641 12.133 1.00 0.72 C ATOM 751 CG ARG A 102 8.860 12.534 13.349 1.00 0.83 C ATOM 752 CD ARG A 102 8.451 11.344 14.188 1.00 1.16 C ATOM 753 NE ARG A 102 9.141 11.267 15.469 1.00 1.80 N ATOM 754 CZ ARG A 102 9.066 10.209 16.273 1.00 2.52 C ATOM 755 NH1 ARG A 102 8.336 9.157 15.918 1.00 2.75 N ATOM 756 NH2 ARG A 102 9.701 10.206 17.437 1.00 3.50 N ATOM 0 H ARG A 102 7.196 13.051 9.515 1.00 0.54 H new ATOM 0 HA ARG A 102 8.633 14.605 11.599 1.00 0.58 H new ATOM 0 HB2 ARG A 102 6.952 12.897 12.465 1.00 0.72 H new ATOM 0 HB3 ARG A 102 7.897 11.663 11.656 1.00 0.72 H new ATOM 0 HG2 ARG A 102 9.898 12.429 13.035 1.00 0.83 H new ATOM 0 HG3 ARG A 102 8.797 13.447 13.941 1.00 0.83 H new ATOM 0 HD2 ARG A 102 7.377 11.388 14.366 1.00 1.16 H new ATOM 0 HD3 ARG A 102 8.644 10.430 13.626 1.00 1.16 H new ATOM 0 HE ARG A 102 9.708 12.062 15.764 1.00 1.80 H new ATOM 0 HH11 ARG A 102 7.834 9.161 15.030 1.00 2.75 H new ATOM 0 HH12 ARG A 102 8.278 8.346 16.533 1.00 2.75 H new ATOM 0 HH21 ARG A 102 10.250 11.017 17.720 1.00 3.50 H new ATOM 0 HH22 ARG A 102 9.640 9.392 18.049 1.00 3.50 H new ATOM 770 N LYS A 103 10.804 13.314 10.988 1.00 0.59 N ATOM 771 CA LYS A 103 12.040 12.902 10.369 1.00 0.63 C ATOM 772 C LYS A 103 12.384 11.473 10.766 1.00 0.68 C ATOM 773 O LYS A 103 11.901 10.964 11.782 1.00 0.82 O ATOM 774 CB LYS A 103 13.151 13.883 10.751 1.00 0.73 C ATOM 775 CG LYS A 103 13.104 14.349 12.199 1.00 0.98 C ATOM 776 CD LYS A 103 13.353 13.215 13.167 1.00 1.17 C ATOM 777 CE LYS A 103 14.820 12.816 13.180 1.00 2.05 C ATOM 778 NZ LYS A 103 15.142 11.874 14.281 1.00 2.40 N ATOM 0 H LYS A 103 10.908 13.712 11.921 1.00 0.59 H new ATOM 0 HA LYS A 103 11.930 12.916 9.285 1.00 0.63 H new ATOM 0 HB2 LYS A 103 14.116 13.412 10.564 1.00 0.73 H new ATOM 0 HB3 LYS A 103 13.090 14.754 10.099 1.00 0.73 H new ATOM 0 HG2 LYS A 103 13.850 15.128 12.354 1.00 0.98 H new ATOM 0 HG3 LYS A 103 12.131 14.795 12.405 1.00 0.98 H new ATOM 0 HD2 LYS A 103 13.046 13.515 14.169 1.00 1.17 H new ATOM 0 HD3 LYS A 103 12.742 12.356 12.890 1.00 1.17 H new ATOM 0 HE2 LYS A 103 15.077 12.356 12.226 1.00 2.05 H new ATOM 0 HE3 LYS A 103 15.436 13.710 13.279 1.00 2.05 H new ATOM 0 HZ1 LYS A 103 16.153 11.633 14.247 1.00 2.40 H new ATOM 0 HZ2 LYS A 103 14.923 12.320 15.195 1.00 2.40 H new ATOM 0 HZ3 LYS A 103 14.576 11.008 14.174 1.00 2.40 H new ATOM 792 N MET A 104 13.207 10.831 9.964 1.00 0.73 N ATOM 793 CA MET A 104 13.608 9.459 10.210 1.00 0.83 C ATOM 794 C MET A 104 15.111 9.350 10.080 1.00 0.87 C ATOM 795 O MET A 104 15.718 10.148 9.384 1.00 0.93 O ATOM 796 CB MET A 104 12.916 8.521 9.226 1.00 0.85 C ATOM 797 CG MET A 104 11.433 8.342 9.485 1.00 0.97 C ATOM 798 SD MET A 104 10.608 7.422 8.174 1.00 1.22 S ATOM 799 CE MET A 104 10.879 8.524 6.788 1.00 0.92 C ATOM 0 H MET A 104 13.617 11.242 9.125 1.00 0.73 H new ATOM 0 HA MET A 104 13.313 9.169 11.218 1.00 0.83 H new ATOM 0 HB2 MET A 104 13.054 8.905 8.215 1.00 0.85 H new ATOM 0 HB3 MET A 104 13.402 7.546 9.266 1.00 0.85 H new ATOM 0 HG2 MET A 104 11.293 7.822 10.433 1.00 0.97 H new ATOM 0 HG3 MET A 104 10.965 9.321 9.587 1.00 0.97 H new ATOM 0 HE1 MET A 104 10.055 8.429 6.081 1.00 0.92 H new ATOM 0 HE2 MET A 104 10.933 9.552 7.146 1.00 0.92 H new ATOM 0 HE3 MET A 104 11.814 8.263 6.293 1.00 0.92 H new ATOM 809 N GLU A 105 15.702 8.391 10.769 1.00 0.90 N ATOM 810 CA GLU A 105 17.148 8.237 10.774 1.00 0.93 C ATOM 811 C GLU A 105 17.569 7.046 9.925 1.00 0.89 C ATOM 812 O GLU A 105 16.958 5.975 10.000 1.00 1.13 O ATOM 813 CB GLU A 105 17.647 8.078 12.213 1.00 1.08 C ATOM 814 CG GLU A 105 16.912 7.002 12.995 1.00 1.64 C ATOM 815 CD GLU A 105 17.324 6.952 14.448 1.00 1.94 C ATOM 816 OE1 GLU A 105 16.662 7.603 15.280 1.00 2.25 O ATOM 817 OE2 GLU A 105 18.320 6.268 14.763 1.00 2.31 O ATOM 0 H GLU A 105 15.203 7.704 11.334 1.00 0.90 H new ATOM 0 HA GLU A 105 17.597 9.131 10.341 1.00 0.93 H new ATOM 0 HB2 GLU A 105 18.711 7.841 12.196 1.00 1.08 H new ATOM 0 HB3 GLU A 105 17.541 9.030 12.733 1.00 1.08 H new ATOM 0 HG2 GLU A 105 15.839 7.182 12.932 1.00 1.64 H new ATOM 0 HG3 GLU A 105 17.100 6.032 12.535 1.00 1.64 H new ATOM 824 N ALA A 106 18.638 7.260 9.149 1.00 0.78 N ATOM 825 CA ALA A 106 19.133 6.303 8.154 1.00 0.78 C ATOM 826 C ALA A 106 19.033 4.859 8.619 1.00 0.76 C ATOM 827 O ALA A 106 19.698 4.452 9.577 1.00 0.78 O ATOM 828 CB ALA A 106 20.573 6.631 7.800 1.00 0.84 C ATOM 0 H ALA A 106 19.191 8.116 9.196 1.00 0.78 H new ATOM 0 HA ALA A 106 18.495 6.398 7.275 1.00 0.78 H new ATOM 0 HB1 ALA A 106 20.937 5.918 7.061 1.00 0.84 H new ATOM 0 HB2 ALA A 106 20.626 7.639 7.389 1.00 0.84 H new ATOM 0 HB3 ALA A 106 21.191 6.572 8.696 1.00 0.84 H new ATOM 834 N GLY A 107 18.205 4.096 7.925 1.00 0.83 N ATOM 835 CA GLY A 107 17.974 2.718 8.292 1.00 0.91 C ATOM 836 C GLY A 107 16.536 2.497 8.687 1.00 0.87 C ATOM 837 O GLY A 107 16.164 1.421 9.161 1.00 1.04 O ATOM 0 H GLY A 107 17.685 4.411 7.106 1.00 0.83 H new ATOM 0 HA2 GLY A 107 18.229 2.068 7.455 1.00 0.91 H new ATOM 0 HA3 GLY A 107 18.628 2.444 9.120 1.00 0.91 H new ATOM 841 N GLU A 108 15.735 3.530 8.493 1.00 0.71 N ATOM 842 CA GLU A 108 14.331 3.503 8.851 1.00 0.74 C ATOM 843 C GLU A 108 13.540 2.642 7.872 1.00 0.61 C ATOM 844 O GLU A 108 14.024 2.294 6.791 1.00 0.61 O ATOM 845 CB GLU A 108 13.757 4.925 8.893 1.00 0.87 C ATOM 846 CG GLU A 108 13.857 5.677 7.572 1.00 0.85 C ATOM 847 CD GLU A 108 15.229 6.279 7.314 1.00 1.78 C ATOM 848 OE1 GLU A 108 16.117 5.541 6.848 1.00 2.62 O ATOM 849 OE2 GLU A 108 15.420 7.487 7.579 1.00 2.13 O ATOM 0 H GLU A 108 16.042 4.412 8.082 1.00 0.71 H new ATOM 0 HA GLU A 108 14.243 3.064 9.845 1.00 0.74 H new ATOM 0 HB2 GLU A 108 12.710 4.874 9.191 1.00 0.87 H new ATOM 0 HB3 GLU A 108 14.280 5.493 9.662 1.00 0.87 H new ATOM 0 HG2 GLU A 108 13.609 4.997 6.757 1.00 0.85 H new ATOM 0 HG3 GLU A 108 13.113 6.473 7.560 1.00 0.85 H new ATOM 856 N ARG A 109 12.323 2.304 8.254 1.00 0.63 N ATOM 857 CA ARG A 109 11.502 1.405 7.467 1.00 0.56 C ATOM 858 C ARG A 109 10.030 1.788 7.561 1.00 0.46 C ATOM 859 O ARG A 109 9.523 2.076 8.646 1.00 0.55 O ATOM 860 CB ARG A 109 11.747 -0.039 7.935 1.00 0.73 C ATOM 861 CG ARG A 109 10.659 -1.042 7.569 1.00 0.80 C ATOM 862 CD ARG A 109 9.598 -1.133 8.659 1.00 1.22 C ATOM 863 NE ARG A 109 10.184 -1.430 9.968 1.00 2.02 N ATOM 864 CZ ARG A 109 9.565 -1.220 11.130 1.00 2.71 C ATOM 865 NH1 ARG A 109 8.338 -0.720 11.157 1.00 2.91 N ATOM 866 NH2 ARG A 109 10.183 -1.508 12.268 1.00 3.62 N ATOM 0 H ARG A 109 11.880 2.641 9.109 1.00 0.63 H new ATOM 0 HA ARG A 109 11.780 1.483 6.416 1.00 0.56 H new ATOM 0 HB2 ARG A 109 12.691 -0.384 7.513 1.00 0.73 H new ATOM 0 HB3 ARG A 109 11.864 -0.036 9.019 1.00 0.73 H new ATOM 0 HG2 ARG A 109 10.193 -0.748 6.629 1.00 0.80 H new ATOM 0 HG3 ARG A 109 11.105 -2.024 7.411 1.00 0.80 H new ATOM 0 HD2 ARG A 109 9.050 -0.192 8.712 1.00 1.22 H new ATOM 0 HD3 ARG A 109 8.877 -1.908 8.400 1.00 1.22 H new ATOM 0 HE ARG A 109 11.125 -1.822 9.992 1.00 2.02 H new ATOM 0 HH11 ARG A 109 7.860 -0.493 10.285 1.00 2.91 H new ATOM 0 HH12 ARG A 109 7.871 -0.562 12.050 1.00 2.91 H new ATOM 0 HH21 ARG A 109 11.129 -1.889 12.252 1.00 3.62 H new ATOM 0 HH22 ARG A 109 9.712 -1.348 13.159 1.00 3.62 H new ATOM 880 N LEU A 110 9.353 1.806 6.420 1.00 0.38 N ATOM 881 CA LEU A 110 7.918 2.042 6.393 1.00 0.39 C ATOM 882 C LEU A 110 7.199 0.704 6.299 1.00 0.49 C ATOM 883 O LEU A 110 7.599 -0.166 5.518 1.00 0.53 O ATOM 884 CB LEU A 110 7.495 2.921 5.206 1.00 0.35 C ATOM 885 CG LEU A 110 8.342 4.165 4.928 1.00 0.35 C ATOM 886 CD1 LEU A 110 7.580 5.103 4.003 1.00 0.39 C ATOM 887 CD2 LEU A 110 8.716 4.881 6.215 1.00 0.41 C ATOM 0 H LEU A 110 9.775 1.660 5.503 1.00 0.38 H new ATOM 0 HA LEU A 110 7.650 2.569 7.309 1.00 0.39 H new ATOM 0 HB2 LEU A 110 7.496 2.302 4.309 1.00 0.35 H new ATOM 0 HB3 LEU A 110 6.466 3.241 5.371 1.00 0.35 H new ATOM 0 HG LEU A 110 9.268 3.850 4.446 1.00 0.35 H new ATOM 0 HD11 LEU A 110 8.184 5.989 3.805 1.00 0.39 H new ATOM 0 HD12 LEU A 110 7.366 4.593 3.064 1.00 0.39 H new ATOM 0 HD13 LEU A 110 6.644 5.400 4.476 1.00 0.39 H new ATOM 0 HD21 LEU A 110 9.317 5.760 5.981 1.00 0.41 H new ATOM 0 HD22 LEU A 110 7.810 5.190 6.736 1.00 0.41 H new ATOM 0 HD23 LEU A 110 9.290 4.208 6.852 1.00 0.41 H new ATOM 899 N GLY A 111 6.161 0.530 7.095 1.00 0.61 N ATOM 900 CA GLY A 111 5.410 -0.702 7.058 1.00 0.77 C ATOM 901 C GLY A 111 4.072 -0.577 7.752 1.00 0.88 C ATOM 902 O GLY A 111 3.828 0.405 8.454 1.00 1.02 O ATOM 0 H GLY A 111 5.824 1.220 7.767 1.00 0.61 H new ATOM 0 HA2 GLY A 111 5.253 -0.999 6.021 1.00 0.77 H new ATOM 0 HA3 GLY A 111 5.990 -1.494 7.532 1.00 0.77 H new ATOM 906 N PRO A 112 3.177 -1.556 7.566 1.00 1.23 N ATOM 907 CA PRO A 112 3.412 -2.703 6.690 1.00 1.24 C ATOM 908 C PRO A 112 3.198 -2.353 5.220 1.00 1.05 C ATOM 909 O PRO A 112 2.489 -1.402 4.899 1.00 1.19 O ATOM 910 CB PRO A 112 2.367 -3.736 7.148 1.00 1.78 C ATOM 911 CG PRO A 112 1.649 -3.118 8.310 1.00 2.10 C ATOM 912 CD PRO A 112 1.862 -1.636 8.204 1.00 1.83 C ATOM 0 HA PRO A 112 4.439 -3.062 6.760 1.00 1.24 H new ATOM 0 HB2 PRO A 112 1.672 -3.971 6.341 1.00 1.78 H new ATOM 0 HB3 PRO A 112 2.846 -4.671 7.439 1.00 1.78 H new ATOM 0 HG2 PRO A 112 0.587 -3.360 8.283 1.00 2.10 H new ATOM 0 HG3 PRO A 112 2.039 -3.499 9.254 1.00 2.10 H new ATOM 0 HD2 PRO A 112 1.089 -1.156 7.604 1.00 1.83 H new ATOM 0 HD3 PRO A 112 1.854 -1.153 9.181 1.00 1.83 H new ATOM 920 N CYS A 113 3.833 -3.108 4.332 1.00 1.00 N ATOM 921 CA CYS A 113 3.654 -2.912 2.898 1.00 1.00 C ATOM 922 C CYS A 113 2.886 -4.088 2.307 1.00 1.17 C ATOM 923 O CYS A 113 2.689 -4.184 1.096 1.00 1.67 O ATOM 924 CB CYS A 113 5.012 -2.769 2.211 1.00 1.05 C ATOM 925 SG CYS A 113 4.922 -2.298 0.468 1.00 2.00 S ATOM 0 H CYS A 113 4.476 -3.861 4.579 1.00 1.00 H new ATOM 0 HA CYS A 113 3.083 -1.998 2.734 1.00 1.00 H new ATOM 0 HB2 CYS A 113 5.599 -2.023 2.746 1.00 1.05 H new ATOM 0 HB3 CYS A 113 5.548 -3.715 2.292 1.00 1.05 H new ATOM 0 HG CYS A 113 5.952 -1.567 0.162 1.00 2.00 H new ATOM 1692 N GLY A 166 -1.418 -1.771 4.440 1.00 1.30 N ATOM 1693 CA GLY A 166 -0.234 -1.677 3.605 1.00 1.24 C ATOM 1694 C GLY A 166 -0.500 -1.024 2.263 1.00 1.03 C ATOM 1695 O GLY A 166 0.414 -0.861 1.455 1.00 1.05 O ATOM 0 HA2 GLY A 166 0.531 -1.108 4.133 1.00 1.24 H new ATOM 0 HA3 GLY A 166 0.168 -2.677 3.442 1.00 1.24 H new ATOM 1699 N SER A 167 -1.744 -0.631 2.025 1.00 0.98 N ATOM 1700 CA SER A 167 -2.123 -0.034 0.749 1.00 0.99 C ATOM 1701 C SER A 167 -1.581 1.391 0.636 1.00 0.78 C ATOM 1702 O SER A 167 -1.527 1.965 -0.452 1.00 0.86 O ATOM 1703 CB SER A 167 -3.647 -0.039 0.596 1.00 1.17 C ATOM 1704 OG SER A 167 -4.039 0.336 -0.716 1.00 1.82 O ATOM 0 H SER A 167 -2.507 -0.714 2.696 1.00 0.98 H new ATOM 0 HA SER A 167 -1.687 -0.629 -0.054 1.00 0.99 H new ATOM 0 HB2 SER A 167 -4.033 -1.033 0.822 1.00 1.17 H new ATOM 0 HB3 SER A 167 -4.089 0.647 1.319 1.00 1.17 H new ATOM 0 HG SER A 167 -5.017 0.322 -0.782 1.00 1.82 H new ATOM 1710 N TRP A 168 -1.166 1.952 1.761 1.00 0.62 N ATOM 1711 CA TRP A 168 -0.692 3.329 1.802 1.00 0.51 C ATOM 1712 C TRP A 168 0.684 3.468 1.151 1.00 0.42 C ATOM 1713 O TRP A 168 1.055 4.546 0.686 1.00 0.43 O ATOM 1714 CB TRP A 168 -0.646 3.831 3.250 1.00 0.56 C ATOM 1715 CG TRP A 168 0.369 3.134 4.110 1.00 0.55 C ATOM 1716 CD1 TRP A 168 0.348 1.831 4.515 1.00 0.69 C ATOM 1717 CD2 TRP A 168 1.549 3.710 4.684 1.00 0.49 C ATOM 1718 NE1 TRP A 168 1.449 1.556 5.288 1.00 0.70 N ATOM 1719 CE2 TRP A 168 2.200 2.694 5.409 1.00 0.56 C ATOM 1720 CE3 TRP A 168 2.121 4.985 4.647 1.00 0.49 C ATOM 1721 CZ2 TRP A 168 3.394 2.916 6.091 1.00 0.55 C ATOM 1722 CZ3 TRP A 168 3.304 5.203 5.325 1.00 0.51 C ATOM 1723 CH2 TRP A 168 3.930 4.174 6.039 1.00 0.50 C ATOM 0 H TRP A 168 -1.147 1.474 2.662 1.00 0.62 H new ATOM 0 HA TRP A 168 -1.393 3.940 1.233 1.00 0.51 H new ATOM 0 HB2 TRP A 168 -0.430 4.899 3.246 1.00 0.56 H new ATOM 0 HB3 TRP A 168 -1.632 3.707 3.698 1.00 0.56 H new ATOM 0 HD1 TRP A 168 -0.424 1.118 4.264 1.00 0.69 H new ATOM 0 HE1 TRP A 168 1.671 0.652 5.704 1.00 0.70 H new ATOM 0 HE3 TRP A 168 1.646 5.785 4.098 1.00 0.49 H new ATOM 0 HZ2 TRP A 168 3.879 2.124 6.641 1.00 0.55 H new ATOM 0 HZ3 TRP A 168 3.754 6.184 5.304 1.00 0.51 H new ATOM 0 HH2 TRP A 168 4.854 4.377 6.559 1.00 0.50 H new ATOM 1734 N LEU A 169 1.430 2.373 1.099 1.00 0.41 N ATOM 1735 CA LEU A 169 2.802 2.414 0.608 1.00 0.38 C ATOM 1736 C LEU A 169 2.883 2.274 -0.906 1.00 0.39 C ATOM 1737 O LEU A 169 3.911 2.587 -1.501 1.00 0.41 O ATOM 1738 CB LEU A 169 3.649 1.339 1.289 1.00 0.44 C ATOM 1739 CG LEU A 169 4.080 1.669 2.717 1.00 0.46 C ATOM 1740 CD1 LEU A 169 4.933 0.552 3.292 1.00 0.66 C ATOM 1741 CD2 LEU A 169 4.842 2.982 2.753 1.00 0.55 C ATOM 0 H LEU A 169 1.111 1.449 1.389 1.00 0.41 H new ATOM 0 HA LEU A 169 3.200 3.397 0.861 1.00 0.38 H new ATOM 0 HB2 LEU A 169 3.085 0.406 1.302 1.00 0.44 H new ATOM 0 HB3 LEU A 169 4.541 1.164 0.687 1.00 0.44 H new ATOM 0 HG LEU A 169 3.183 1.769 3.328 1.00 0.46 H new ATOM 0 HD11 LEU A 169 5.229 0.807 4.309 1.00 0.66 H new ATOM 0 HD12 LEU A 169 4.360 -0.375 3.303 1.00 0.66 H new ATOM 0 HD13 LEU A 169 5.823 0.421 2.677 1.00 0.66 H new ATOM 0 HD21 LEU A 169 5.141 3.201 3.778 1.00 0.55 H new ATOM 0 HD22 LEU A 169 5.729 2.905 2.125 1.00 0.55 H new ATOM 0 HD23 LEU A 169 4.203 3.784 2.382 1.00 0.55 H new ATOM 1753 N LYS A 170 1.805 1.828 -1.538 1.00 0.44 N ATOM 1754 CA LYS A 170 1.812 1.680 -2.988 1.00 0.52 C ATOM 1755 C LYS A 170 1.613 3.038 -3.663 1.00 0.50 C ATOM 1756 O LYS A 170 1.673 3.150 -4.888 1.00 0.61 O ATOM 1757 CB LYS A 170 0.752 0.660 -3.452 1.00 0.66 C ATOM 1758 CG LYS A 170 -0.699 1.095 -3.284 1.00 0.74 C ATOM 1759 CD LYS A 170 -1.184 1.925 -4.466 1.00 0.83 C ATOM 1760 CE LYS A 170 -2.637 2.332 -4.312 1.00 1.15 C ATOM 1761 NZ LYS A 170 -3.553 1.162 -4.350 1.00 1.48 N ATOM 0 H LYS A 170 0.931 1.567 -1.081 1.00 0.44 H new ATOM 0 HA LYS A 170 2.785 1.291 -3.287 1.00 0.52 H new ATOM 0 HB2 LYS A 170 0.926 0.436 -4.504 1.00 0.66 H new ATOM 0 HB3 LYS A 170 0.901 -0.268 -2.900 1.00 0.66 H new ATOM 0 HG2 LYS A 170 -1.332 0.214 -3.175 1.00 0.74 H new ATOM 0 HG3 LYS A 170 -0.800 1.675 -2.367 1.00 0.74 H new ATOM 0 HD2 LYS A 170 -0.565 2.817 -4.562 1.00 0.83 H new ATOM 0 HD3 LYS A 170 -1.063 1.353 -5.386 1.00 0.83 H new ATOM 0 HE2 LYS A 170 -2.766 2.862 -3.369 1.00 1.15 H new ATOM 0 HE3 LYS A 170 -2.905 3.027 -5.108 1.00 1.15 H new ATOM 0 HZ1 LYS A 170 -4.537 1.493 -4.412 1.00 1.48 H new ATOM 0 HZ2 LYS A 170 -3.332 0.575 -5.180 1.00 1.48 H new ATOM 0 HZ3 LYS A 170 -3.432 0.598 -3.485 1.00 1.48 H new ATOM 1775 N TYR A 171 1.377 4.068 -2.853 1.00 0.45 N ATOM 1776 CA TYR A 171 1.189 5.413 -3.374 1.00 0.52 C ATOM 1777 C TYR A 171 2.523 6.046 -3.744 1.00 0.53 C ATOM 1778 O TYR A 171 2.617 6.743 -4.748 1.00 0.68 O ATOM 1779 CB TYR A 171 0.452 6.293 -2.362 1.00 0.56 C ATOM 1780 CG TYR A 171 -1.025 5.981 -2.253 1.00 0.85 C ATOM 1781 CD1 TYR A 171 -1.904 6.343 -3.265 1.00 1.12 C ATOM 1782 CD2 TYR A 171 -1.538 5.330 -1.141 1.00 1.03 C ATOM 1783 CE1 TYR A 171 -3.255 6.061 -3.171 1.00 1.44 C ATOM 1784 CE2 TYR A 171 -2.887 5.045 -1.039 1.00 1.42 C ATOM 1785 CZ TYR A 171 -3.741 5.412 -2.057 1.00 1.58 C ATOM 1786 OH TYR A 171 -5.085 5.129 -1.958 1.00 1.97 O ATOM 0 H TYR A 171 1.312 3.994 -1.838 1.00 0.45 H new ATOM 0 HA TYR A 171 0.581 5.336 -4.275 1.00 0.52 H new ATOM 0 HB2 TYR A 171 0.914 6.171 -1.382 1.00 0.56 H new ATOM 0 HB3 TYR A 171 0.574 7.339 -2.645 1.00 0.56 H new ATOM 0 HD1 TYR A 171 -1.527 6.853 -4.139 1.00 1.12 H new ATOM 0 HD2 TYR A 171 -0.872 5.041 -0.341 1.00 1.03 H new ATOM 0 HE1 TYR A 171 -3.926 6.348 -3.967 1.00 1.44 H new ATOM 0 HE2 TYR A 171 -3.270 4.537 -0.166 1.00 1.42 H new ATOM 0 HH TYR A 171 -5.210 4.160 -1.881 1.00 1.97 H new ATOM 1796 N ILE A 172 3.552 5.784 -2.946 1.00 0.43 N ATOM 1797 CA ILE A 172 4.884 6.304 -3.238 1.00 0.46 C ATOM 1798 C ILE A 172 5.458 5.598 -4.464 1.00 0.56 C ATOM 1799 O ILE A 172 5.586 4.369 -4.485 1.00 0.67 O ATOM 1800 CB ILE A 172 5.844 6.159 -2.031 1.00 0.42 C ATOM 1801 CG1 ILE A 172 5.127 5.491 -0.843 1.00 0.42 C ATOM 1802 CG2 ILE A 172 6.420 7.516 -1.647 1.00 0.57 C ATOM 1803 CD1 ILE A 172 5.768 5.739 0.512 1.00 0.54 C ATOM 0 H ILE A 172 3.492 5.220 -2.099 1.00 0.43 H new ATOM 0 HA ILE A 172 4.787 7.370 -3.444 1.00 0.46 H new ATOM 0 HB ILE A 172 6.674 5.513 -2.318 1.00 0.42 H new ATOM 0 HG12 ILE A 172 4.097 5.847 -0.812 1.00 0.42 H new ATOM 0 HG13 ILE A 172 5.088 4.416 -1.019 1.00 0.42 H new ATOM 0 HG21 ILE A 172 7.093 7.399 -0.797 1.00 0.57 H new ATOM 0 HG22 ILE A 172 6.971 7.930 -2.492 1.00 0.57 H new ATOM 0 HG23 ILE A 172 5.609 8.192 -1.377 1.00 0.57 H new ATOM 0 HD11 ILE A 172 5.193 5.229 1.285 1.00 0.54 H new ATOM 0 HD12 ILE A 172 6.789 5.356 0.507 1.00 0.54 H new ATOM 0 HD13 ILE A 172 5.783 6.809 0.717 1.00 0.54 H new ATOM 1815 N ARG A 173 5.775 6.377 -5.493 1.00 0.71 N ATOM 1816 CA ARG A 173 6.189 5.814 -6.772 1.00 0.92 C ATOM 1817 C ARG A 173 7.650 6.122 -7.087 1.00 0.69 C ATOM 1818 O ARG A 173 8.396 6.587 -6.225 1.00 0.61 O ATOM 1819 CB ARG A 173 5.288 6.330 -7.895 1.00 1.38 C ATOM 1820 CG ARG A 173 3.826 5.964 -7.713 1.00 1.82 C ATOM 1821 CD ARG A 173 2.981 6.418 -8.892 1.00 2.22 C ATOM 1822 NE ARG A 173 3.372 5.752 -10.133 1.00 2.79 N ATOM 1823 CZ ARG A 173 2.535 5.065 -10.911 1.00 3.52 C ATOM 1824 NH1 ARG A 173 1.259 4.932 -10.572 1.00 3.84 N ATOM 1825 NH2 ARG A 173 2.979 4.504 -12.030 1.00 4.34 N ATOM 0 H ARG A 173 5.753 7.396 -5.466 1.00 0.71 H new ATOM 0 HA ARG A 173 6.090 4.731 -6.698 1.00 0.92 H new ATOM 0 HB2 ARG A 173 5.378 7.415 -7.954 1.00 1.38 H new ATOM 0 HB3 ARG A 173 5.639 5.929 -8.846 1.00 1.38 H new ATOM 0 HG2 ARG A 173 3.733 4.885 -7.593 1.00 1.82 H new ATOM 0 HG3 ARG A 173 3.448 6.420 -6.798 1.00 1.82 H new ATOM 0 HD2 ARG A 173 1.931 6.213 -8.686 1.00 2.22 H new ATOM 0 HD3 ARG A 173 3.077 7.497 -9.013 1.00 2.22 H new ATOM 0 HE ARG A 173 4.348 5.817 -10.422 1.00 2.79 H new ATOM 0 HH11 ARG A 173 0.913 5.357 -9.712 1.00 3.84 H new ATOM 0 HH12 ARG A 173 0.624 4.405 -11.172 1.00 3.84 H new ATOM 0 HH21 ARG A 173 3.960 4.599 -12.294 1.00 4.34 H new ATOM 0 HH22 ARG A 173 2.339 3.978 -12.626 1.00 4.34 H new ATOM 1839 N VAL A 174 8.045 5.851 -8.332 1.00 0.70 N ATOM 1840 CA VAL A 174 9.435 5.983 -8.757 1.00 0.63 C ATOM 1841 C VAL A 174 9.917 7.425 -8.646 1.00 0.55 C ATOM 1842 O VAL A 174 9.173 8.366 -8.924 1.00 0.62 O ATOM 1843 CB VAL A 174 9.624 5.485 -10.207 1.00 0.73 C ATOM 1844 CG1 VAL A 174 11.091 5.532 -10.614 1.00 0.98 C ATOM 1845 CG2 VAL A 174 9.081 4.073 -10.366 1.00 1.07 C ATOM 0 H VAL A 174 7.413 5.536 -9.068 1.00 0.70 H new ATOM 0 HA VAL A 174 10.033 5.363 -8.089 1.00 0.63 H new ATOM 0 HB VAL A 174 9.064 6.151 -10.863 1.00 0.73 H new ATOM 0 HG11 VAL A 174 11.196 5.176 -11.639 1.00 0.98 H new ATOM 0 HG12 VAL A 174 11.455 6.557 -10.547 1.00 0.98 H new ATOM 0 HG13 VAL A 174 11.674 4.896 -9.948 1.00 0.98 H new ATOM 0 HG21 VAL A 174 9.224 3.742 -11.395 1.00 1.07 H new ATOM 0 HG22 VAL A 174 9.611 3.401 -9.691 1.00 1.07 H new ATOM 0 HG23 VAL A 174 8.018 4.063 -10.126 1.00 1.07 H new ATOM 1855 N ALA A 175 11.174 7.574 -8.240 1.00 0.53 N ATOM 1856 CA ALA A 175 11.778 8.883 -8.026 1.00 0.57 C ATOM 1857 C ALA A 175 11.792 9.716 -9.299 1.00 0.52 C ATOM 1858 O ALA A 175 11.914 9.187 -10.406 1.00 0.57 O ATOM 1859 CB ALA A 175 13.193 8.723 -7.502 1.00 0.71 C ATOM 0 H ALA A 175 11.801 6.792 -8.051 1.00 0.53 H new ATOM 0 HA ALA A 175 11.170 9.409 -7.290 1.00 0.57 H new ATOM 0 HB1 ALA A 175 13.636 9.706 -7.345 1.00 0.71 H new ATOM 0 HB2 ALA A 175 13.172 8.180 -6.557 1.00 0.71 H new ATOM 0 HB3 ALA A 175 13.789 8.168 -8.227 1.00 0.71 H new ATOM 1865 N CYS A 176 11.679 11.022 -9.123 1.00 0.62 N ATOM 1866 CA CYS A 176 11.689 11.958 -10.233 1.00 0.69 C ATOM 1867 C CYS A 176 13.127 12.334 -10.591 1.00 0.68 C ATOM 1868 O CYS A 176 13.379 12.983 -11.606 1.00 0.84 O ATOM 1869 CB CYS A 176 10.890 13.212 -9.860 1.00 0.85 C ATOM 1870 SG CYS A 176 10.683 14.397 -11.211 1.00 1.88 S ATOM 0 H CYS A 176 11.578 11.462 -8.208 1.00 0.62 H new ATOM 0 HA CYS A 176 11.226 11.488 -11.101 1.00 0.69 H new ATOM 0 HB2 CYS A 176 9.905 12.908 -9.506 1.00 0.85 H new ATOM 0 HB3 CYS A 176 11.388 13.711 -9.029 1.00 0.85 H new ATOM 0 HG CYS A 176 9.459 14.834 -11.221 1.00 1.88 H new ATOM 1876 N SER A 177 14.063 11.916 -9.750 1.00 0.63 N ATOM 1877 CA SER A 177 15.466 12.244 -9.943 1.00 0.71 C ATOM 1878 C SER A 177 16.366 11.088 -9.520 1.00 0.65 C ATOM 1879 O SER A 177 16.069 10.364 -8.565 1.00 0.66 O ATOM 1880 CB SER A 177 15.817 13.497 -9.140 1.00 0.88 C ATOM 1881 OG SER A 177 17.211 13.745 -9.152 1.00 1.63 O ATOM 0 H SER A 177 13.873 11.347 -8.925 1.00 0.63 H new ATOM 0 HA SER A 177 15.631 12.430 -11.004 1.00 0.71 H new ATOM 0 HB2 SER A 177 15.290 14.356 -9.554 1.00 0.88 H new ATOM 0 HB3 SER A 177 15.476 13.379 -8.112 1.00 0.88 H new ATOM 0 HG SER A 177 17.389 14.631 -8.772 1.00 1.63 H new ATOM 1887 N CYS A 178 17.470 10.926 -10.240 1.00 0.71 N ATOM 1888 CA CYS A 178 18.468 9.917 -9.913 1.00 0.76 C ATOM 1889 C CYS A 178 19.414 10.438 -8.835 1.00 0.71 C ATOM 1890 O CYS A 178 20.136 9.673 -8.198 1.00 0.77 O ATOM 1891 CB CYS A 178 19.259 9.533 -11.163 1.00 1.00 C ATOM 1892 SG CYS A 178 18.239 8.878 -12.503 1.00 1.96 S ATOM 0 H CYS A 178 17.697 11.487 -11.061 1.00 0.71 H new ATOM 0 HA CYS A 178 17.957 9.032 -9.533 1.00 0.76 H new ATOM 0 HB2 CYS A 178 19.797 10.410 -11.524 1.00 1.00 H new ATOM 0 HB3 CYS A 178 20.008 8.789 -10.893 1.00 1.00 H new ATOM 0 HG CYS A 178 18.994 8.583 -13.519 1.00 1.96 H new ATOM 1898 N ASP A 179 19.393 11.747 -8.632 1.00 0.76 N ATOM 1899 CA ASP A 179 20.207 12.383 -7.604 1.00 0.88 C ATOM 1900 C ASP A 179 19.523 12.270 -6.247 1.00 0.82 C ATOM 1901 O ASP A 179 20.168 12.257 -5.198 1.00 0.99 O ATOM 1902 CB ASP A 179 20.446 13.852 -7.968 1.00 1.08 C ATOM 1903 CG ASP A 179 21.052 14.659 -6.837 1.00 1.81 C ATOM 1904 OD1 ASP A 179 20.365 15.564 -6.313 1.00 2.40 O ATOM 1905 OD2 ASP A 179 22.215 14.402 -6.471 1.00 2.42 O ATOM 0 H ASP A 179 18.817 12.395 -9.170 1.00 0.76 H new ATOM 0 HA ASP A 179 21.170 11.876 -7.545 1.00 0.88 H new ATOM 0 HB2 ASP A 179 21.105 13.902 -8.834 1.00 1.08 H new ATOM 0 HB3 ASP A 179 19.499 14.305 -8.262 1.00 1.08 H new ATOM 1910 N ASP A 180 18.206 12.148 -6.285 1.00 0.70 N ATOM 1911 CA ASP A 180 17.398 12.089 -5.073 1.00 0.75 C ATOM 1912 C ASP A 180 17.083 10.656 -4.673 1.00 0.60 C ATOM 1913 O ASP A 180 16.133 10.416 -3.933 1.00 0.64 O ATOM 1914 CB ASP A 180 16.094 12.870 -5.248 1.00 0.92 C ATOM 1915 CG ASP A 180 16.318 14.364 -5.293 1.00 1.41 C ATOM 1916 OD1 ASP A 180 16.049 14.982 -6.341 1.00 2.12 O ATOM 1917 OD2 ASP A 180 16.763 14.933 -4.278 1.00 1.55 O ATOM 0 H ASP A 180 17.668 12.087 -7.149 1.00 0.70 H new ATOM 0 HA ASP A 180 17.987 12.545 -4.277 1.00 0.75 H new ATOM 0 HB2 ASP A 180 15.604 12.551 -6.168 1.00 0.92 H new ATOM 0 HB3 ASP A 180 15.418 12.631 -4.427 1.00 0.92 H new ATOM 1922 N GLN A 181 17.843 9.698 -5.195 1.00 0.51 N ATOM 1923 CA GLN A 181 17.600 8.294 -4.880 1.00 0.46 C ATOM 1924 C GLN A 181 17.706 8.030 -3.384 1.00 0.46 C ATOM 1925 O GLN A 181 18.779 8.157 -2.787 1.00 0.56 O ATOM 1926 CB GLN A 181 18.582 7.380 -5.608 1.00 0.56 C ATOM 1927 CG GLN A 181 18.395 7.340 -7.114 1.00 0.62 C ATOM 1928 CD GLN A 181 17.134 6.609 -7.520 1.00 0.70 C ATOM 1929 OE1 GLN A 181 16.057 7.348 -7.710 1.00 1.35 O flip ATOM 1930 NE2 GLN A 181 17.135 5.390 -7.686 1.00 0.98 N flip ATOM 0 H GLN A 181 18.623 9.865 -5.830 1.00 0.51 H new ATOM 0 HA GLN A 181 16.586 8.075 -5.214 1.00 0.46 H new ATOM 0 HB2 GLN A 181 19.598 7.708 -5.388 1.00 0.56 H new ATOM 0 HB3 GLN A 181 18.481 6.369 -5.214 1.00 0.56 H new ATOM 0 HG2 GLN A 181 18.361 8.359 -7.500 1.00 0.62 H new ATOM 0 HG3 GLN A 181 19.257 6.854 -7.572 1.00 0.62 H new ATOM 0 HE21 GLN A 181 17.989 4.855 -7.529 1.00 0.98 H new ATOM 0 HE22 GLN A 181 16.282 4.915 -7.981 1.00 0.98 H new ATOM 1939 N ASN A 182 16.581 7.670 -2.801 1.00 0.40 N ATOM 1940 CA ASN A 182 16.523 7.178 -1.442 1.00 0.41 C ATOM 1941 C ASN A 182 15.327 6.241 -1.298 1.00 0.36 C ATOM 1942 O ASN A 182 14.753 6.085 -0.220 1.00 0.42 O ATOM 1943 CB ASN A 182 16.454 8.333 -0.431 1.00 0.49 C ATOM 1944 CG ASN A 182 15.183 9.133 -0.505 1.00 0.99 C ATOM 1945 OD1 ASN A 182 15.053 10.056 -1.302 1.00 1.68 O ATOM 1946 ND2 ASN A 182 14.252 8.815 0.372 1.00 0.93 N ATOM 0 H ASN A 182 15.673 7.712 -3.263 1.00 0.40 H new ATOM 0 HA ASN A 182 17.437 6.624 -1.225 1.00 0.41 H new ATOM 0 HB2 ASN A 182 16.559 7.928 0.576 1.00 0.49 H new ATOM 0 HB3 ASN A 182 17.301 8.999 -0.597 1.00 0.49 H new ATOM 0 HD21 ASN A 182 13.381 9.345 0.406 1.00 0.93 H new ATOM 0 HD22 ASN A 182 14.402 8.039 1.017 1.00 0.93 H new ATOM 1953 N LEU A 183 14.992 5.587 -2.404 1.00 0.34 N ATOM 1954 CA LEU A 183 13.824 4.720 -2.483 1.00 0.35 C ATOM 1955 C LEU A 183 14.285 3.272 -2.638 1.00 0.36 C ATOM 1956 O LEU A 183 14.957 2.943 -3.615 1.00 0.39 O ATOM 1957 CB LEU A 183 12.941 5.087 -3.694 1.00 0.39 C ATOM 1958 CG LEU A 183 12.515 6.557 -3.844 1.00 0.46 C ATOM 1959 CD1 LEU A 183 13.681 7.442 -4.240 1.00 0.73 C ATOM 1960 CD2 LEU A 183 11.396 6.689 -4.860 1.00 0.81 C ATOM 0 H LEU A 183 15.524 5.644 -3.272 1.00 0.34 H new ATOM 0 HA LEU A 183 13.241 4.846 -1.570 1.00 0.35 H new ATOM 0 HB2 LEU A 183 13.475 4.798 -4.599 1.00 0.39 H new ATOM 0 HB3 LEU A 183 12.038 4.478 -3.648 1.00 0.39 H new ATOM 0 HG LEU A 183 12.155 6.890 -2.871 1.00 0.46 H new ATOM 0 HD11 LEU A 183 13.339 8.473 -4.336 1.00 0.73 H new ATOM 0 HD12 LEU A 183 14.456 7.386 -3.476 1.00 0.73 H new ATOM 0 HD13 LEU A 183 14.087 7.104 -5.194 1.00 0.73 H new ATOM 0 HD21 LEU A 183 11.109 7.737 -4.951 1.00 0.81 H new ATOM 0 HD22 LEU A 183 11.738 6.321 -5.827 1.00 0.81 H new ATOM 0 HD23 LEU A 183 10.536 6.105 -4.532 1.00 0.81 H new ATOM 1972 N THR A 184 13.942 2.405 -1.694 1.00 0.37 N ATOM 1973 CA THR A 184 14.403 1.022 -1.760 1.00 0.41 C ATOM 1974 C THR A 184 13.417 0.040 -1.111 1.00 0.41 C ATOM 1975 O THR A 184 12.706 0.376 -0.161 1.00 0.45 O ATOM 1976 CB THR A 184 15.797 0.892 -1.107 1.00 0.45 C ATOM 1977 OG1 THR A 184 16.717 1.778 -1.760 1.00 0.51 O ATOM 1978 CG2 THR A 184 16.323 -0.526 -1.202 1.00 0.49 C ATOM 0 H THR A 184 13.358 2.627 -0.888 1.00 0.37 H new ATOM 0 HA THR A 184 14.469 0.757 -2.815 1.00 0.41 H new ATOM 0 HB THR A 184 15.701 1.154 -0.053 1.00 0.45 H new ATOM 0 HG1 THR A 184 17.629 1.585 -1.457 1.00 0.51 H new ATOM 0 HG21 THR A 184 17.305 -0.582 -0.733 1.00 0.49 H new ATOM 0 HG22 THR A 184 15.638 -1.203 -0.692 1.00 0.49 H new ATOM 0 HG23 THR A 184 16.404 -0.814 -2.250 1.00 0.49 H new ATOM 1986 N MET A 185 13.381 -1.174 -1.658 1.00 0.49 N ATOM 1987 CA MET A 185 12.506 -2.243 -1.182 1.00 0.51 C ATOM 1988 C MET A 185 13.248 -3.195 -0.241 1.00 0.60 C ATOM 1989 O MET A 185 14.438 -3.450 -0.418 1.00 0.90 O ATOM 1990 CB MET A 185 11.967 -3.017 -2.391 1.00 0.77 C ATOM 1991 CG MET A 185 11.393 -4.395 -2.073 1.00 1.01 C ATOM 1992 SD MET A 185 9.966 -4.345 -0.975 1.00 1.35 S ATOM 1993 CE MET A 185 8.790 -3.433 -1.968 1.00 1.03 C ATOM 0 H MET A 185 13.963 -1.445 -2.450 1.00 0.49 H new ATOM 0 HA MET A 185 11.684 -1.799 -0.621 1.00 0.51 H new ATOM 0 HB2 MET A 185 11.191 -2.419 -2.870 1.00 0.77 H new ATOM 0 HB3 MET A 185 12.772 -3.134 -3.116 1.00 0.77 H new ATOM 0 HG2 MET A 185 11.108 -4.884 -3.004 1.00 1.01 H new ATOM 0 HG3 MET A 185 12.171 -5.007 -1.617 1.00 1.01 H new ATOM 0 HE1 MET A 185 7.804 -3.490 -1.508 1.00 1.03 H new ATOM 0 HE2 MET A 185 9.100 -2.390 -2.033 1.00 1.03 H new ATOM 0 HE3 MET A 185 8.749 -3.862 -2.969 1.00 1.03 H new ATOM 2003 N CYS A 186 12.535 -3.714 0.753 1.00 0.55 N ATOM 2004 CA CYS A 186 13.078 -4.723 1.651 1.00 0.81 C ATOM 2005 C CYS A 186 12.116 -5.906 1.762 1.00 0.71 C ATOM 2006 O CYS A 186 10.915 -5.728 1.977 1.00 0.65 O ATOM 2007 CB CYS A 186 13.336 -4.117 3.031 1.00 1.10 C ATOM 2008 SG CYS A 186 13.959 -5.284 4.263 1.00 1.73 S ATOM 0 H CYS A 186 11.571 -3.449 0.957 1.00 0.55 H new ATOM 0 HA CYS A 186 14.024 -5.081 1.244 1.00 0.81 H new ATOM 0 HB2 CYS A 186 14.053 -3.302 2.927 1.00 1.10 H new ATOM 0 HB3 CYS A 186 12.408 -3.680 3.400 1.00 1.10 H new ATOM 0 HG CYS A 186 14.144 -4.666 5.392 1.00 1.73 H new ATOM 2014 N GLN A 187 12.648 -7.111 1.613 1.00 0.81 N ATOM 2015 CA GLN A 187 11.843 -8.319 1.708 1.00 0.79 C ATOM 2016 C GLN A 187 12.413 -9.229 2.789 1.00 0.87 C ATOM 2017 O GLN A 187 13.460 -9.855 2.603 1.00 1.01 O ATOM 2018 CB GLN A 187 11.801 -9.038 0.350 1.00 0.95 C ATOM 2019 CG GLN A 187 10.707 -10.096 0.229 1.00 1.08 C ATOM 2020 CD GLN A 187 11.044 -11.408 0.915 1.00 1.47 C ATOM 2021 OE1 GLN A 187 12.205 -11.814 0.985 1.00 1.93 O ATOM 2022 NE2 GLN A 187 10.028 -12.087 1.420 1.00 1.60 N ATOM 0 H GLN A 187 13.637 -7.277 1.425 1.00 0.81 H new ATOM 0 HA GLN A 187 10.821 -8.053 1.980 1.00 0.79 H new ATOM 0 HB2 GLN A 187 11.660 -8.296 -0.436 1.00 0.95 H new ATOM 0 HB3 GLN A 187 12.767 -9.510 0.173 1.00 0.95 H new ATOM 0 HG2 GLN A 187 9.784 -9.701 0.654 1.00 1.08 H new ATOM 0 HG3 GLN A 187 10.515 -10.288 -0.827 1.00 1.08 H new ATOM 0 HE21 GLN A 187 9.080 -11.719 1.343 1.00 1.60 H new ATOM 0 HE22 GLN A 187 10.192 -12.979 1.887 1.00 1.60 H new ATOM 2031 N ILE A 188 11.725 -9.283 3.921 1.00 0.82 N ATOM 2032 CA ILE A 188 12.165 -10.078 5.060 1.00 0.92 C ATOM 2033 C ILE A 188 10.971 -10.712 5.761 1.00 0.95 C ATOM 2034 O ILE A 188 9.895 -10.121 5.811 1.00 0.87 O ATOM 2035 CB ILE A 188 12.958 -9.233 6.088 1.00 0.99 C ATOM 2036 CG1 ILE A 188 12.171 -7.978 6.470 1.00 0.96 C ATOM 2037 CG2 ILE A 188 14.320 -8.851 5.535 1.00 1.07 C ATOM 2038 CD1 ILE A 188 12.806 -7.173 7.584 1.00 1.11 C ATOM 0 H ILE A 188 10.851 -8.780 4.076 1.00 0.82 H new ATOM 0 HA ILE A 188 12.824 -10.852 4.667 1.00 0.92 H new ATOM 0 HB ILE A 188 13.107 -9.838 6.982 1.00 0.99 H new ATOM 0 HG12 ILE A 188 12.067 -7.344 5.590 1.00 0.96 H new ATOM 0 HG13 ILE A 188 11.165 -8.269 6.773 1.00 0.96 H new ATOM 0 HG21 ILE A 188 14.859 -8.258 6.274 1.00 1.07 H new ATOM 0 HG22 ILE A 188 14.888 -9.754 5.310 1.00 1.07 H new ATOM 0 HG23 ILE A 188 14.192 -8.266 4.624 1.00 1.07 H new ATOM 0 HD11 ILE A 188 12.190 -6.299 7.798 1.00 1.11 H new ATOM 0 HD12 ILE A 188 12.885 -7.790 8.479 1.00 1.11 H new ATOM 0 HD13 ILE A 188 13.801 -6.849 7.278 1.00 1.11 H new ATOM 2050 N SER A 189 11.155 -11.933 6.259 1.00 1.12 N ATOM 2051 CA SER A 189 10.136 -12.618 7.055 1.00 1.23 C ATOM 2052 C SER A 189 8.853 -12.853 6.254 1.00 1.13 C ATOM 2053 O SER A 189 7.748 -12.777 6.797 1.00 1.15 O ATOM 2054 CB SER A 189 9.831 -11.812 8.320 1.00 1.31 C ATOM 2055 OG SER A 189 11.015 -11.548 9.056 1.00 1.86 O ATOM 0 H SER A 189 12.009 -12.474 6.124 1.00 1.12 H new ATOM 0 HA SER A 189 10.532 -13.594 7.335 1.00 1.23 H new ATOM 0 HB2 SER A 189 9.351 -10.872 8.049 1.00 1.31 H new ATOM 0 HB3 SER A 189 9.126 -12.362 8.944 1.00 1.31 H new ATOM 0 HG SER A 189 10.793 -11.031 9.858 1.00 1.86 H new ATOM 2061 N GLU A 190 9.017 -13.124 4.958 1.00 1.11 N ATOM 2062 CA GLU A 190 7.900 -13.425 4.051 1.00 1.13 C ATOM 2063 C GLU A 190 6.992 -12.211 3.849 1.00 0.96 C ATOM 2064 O GLU A 190 5.974 -12.298 3.159 1.00 1.05 O ATOM 2065 CB GLU A 190 7.064 -14.615 4.555 1.00 1.34 C ATOM 2066 CG GLU A 190 7.767 -15.964 4.487 1.00 1.74 C ATOM 2067 CD GLU A 190 8.918 -16.085 5.460 1.00 2.26 C ATOM 2068 OE1 GLU A 190 10.086 -16.039 5.015 1.00 2.66 O ATOM 2069 OE2 GLU A 190 8.659 -16.226 6.674 1.00 2.83 O ATOM 0 H GLU A 190 9.930 -13.142 4.503 1.00 1.11 H new ATOM 0 HA GLU A 190 8.345 -13.691 3.092 1.00 1.13 H new ATOM 0 HB2 GLU A 190 6.773 -14.425 5.588 1.00 1.34 H new ATOM 0 HB3 GLU A 190 6.146 -14.670 3.970 1.00 1.34 H new ATOM 0 HG2 GLU A 190 7.044 -16.754 4.689 1.00 1.74 H new ATOM 0 HG3 GLU A 190 8.137 -16.123 3.474 1.00 1.74 H new ATOM 2076 N GLN A 191 7.370 -11.083 4.429 1.00 0.81 N ATOM 2077 CA GLN A 191 6.557 -9.884 4.361 1.00 0.71 C ATOM 2078 C GLN A 191 7.333 -8.753 3.702 1.00 0.61 C ATOM 2079 O GLN A 191 8.557 -8.815 3.567 1.00 0.65 O ATOM 2080 CB GLN A 191 6.078 -9.488 5.763 1.00 0.78 C ATOM 2081 CG GLN A 191 7.203 -9.209 6.743 1.00 0.87 C ATOM 2082 CD GLN A 191 6.721 -9.082 8.176 1.00 1.15 C ATOM 2083 OE1 GLN A 191 7.455 -9.381 9.118 1.00 1.75 O ATOM 2084 NE2 GLN A 191 5.484 -8.648 8.355 1.00 1.46 N ATOM 0 H GLN A 191 8.238 -10.975 4.953 1.00 0.81 H new ATOM 0 HA GLN A 191 5.678 -10.087 3.749 1.00 0.71 H new ATOM 0 HB2 GLN A 191 5.450 -8.601 5.684 1.00 0.78 H new ATOM 0 HB3 GLN A 191 5.452 -10.287 6.161 1.00 0.78 H new ATOM 0 HG2 GLN A 191 7.938 -10.011 6.682 1.00 0.87 H new ATOM 0 HG3 GLN A 191 7.711 -8.289 6.453 1.00 0.87 H new ATOM 0 HE21 GLN A 191 4.906 -8.410 7.549 1.00 1.46 H new ATOM 0 HE22 GLN A 191 5.109 -8.552 9.299 1.00 1.46 H new ATOM 2093 N ILE A 192 6.612 -7.727 3.281 1.00 0.56 N ATOM 2094 CA ILE A 192 7.194 -6.646 2.506 1.00 0.50 C ATOM 2095 C ILE A 192 7.326 -5.377 3.342 1.00 0.47 C ATOM 2096 O ILE A 192 6.403 -5.012 4.082 1.00 0.61 O ATOM 2097 CB ILE A 192 6.329 -6.356 1.260 1.00 0.65 C ATOM 2098 CG1 ILE A 192 6.097 -7.642 0.460 1.00 0.89 C ATOM 2099 CG2 ILE A 192 6.976 -5.297 0.383 1.00 0.64 C ATOM 2100 CD1 ILE A 192 7.371 -8.288 -0.049 1.00 1.01 C ATOM 0 H ILE A 192 5.614 -7.621 3.465 1.00 0.56 H new ATOM 0 HA ILE A 192 8.190 -6.959 2.193 1.00 0.50 H new ATOM 0 HB ILE A 192 5.365 -5.975 1.598 1.00 0.65 H new ATOM 0 HG12 ILE A 192 5.564 -8.357 1.087 1.00 0.89 H new ATOM 0 HG13 ILE A 192 5.451 -7.419 -0.389 1.00 0.89 H new ATOM 0 HG21 ILE A 192 6.347 -5.111 -0.487 1.00 0.64 H new ATOM 0 HG22 ILE A 192 7.090 -4.374 0.951 1.00 0.64 H new ATOM 0 HG23 ILE A 192 7.956 -5.645 0.055 1.00 0.64 H new ATOM 0 HD11 ILE A 192 7.123 -9.192 -0.605 1.00 1.01 H new ATOM 0 HD12 ILE A 192 7.896 -7.592 -0.703 1.00 1.01 H new ATOM 0 HD13 ILE A 192 8.011 -8.545 0.795 1.00 1.01 H new ATOM 2112 N TYR A 193 8.473 -4.719 3.225 1.00 0.48 N ATOM 2113 CA TYR A 193 8.726 -3.465 3.924 1.00 0.68 C ATOM 2114 C TYR A 193 9.436 -2.468 3.014 1.00 0.50 C ATOM 2115 O TYR A 193 10.100 -2.846 2.049 1.00 0.47 O ATOM 2116 CB TYR A 193 9.578 -3.698 5.173 1.00 1.05 C ATOM 2117 CG TYR A 193 8.828 -4.317 6.330 1.00 1.54 C ATOM 2118 CD1 TYR A 193 9.169 -5.577 6.802 1.00 2.35 C ATOM 2119 CD2 TYR A 193 7.775 -3.649 6.938 1.00 1.86 C ATOM 2120 CE1 TYR A 193 8.479 -6.157 7.848 1.00 3.17 C ATOM 2121 CE2 TYR A 193 7.082 -4.221 7.986 1.00 2.49 C ATOM 2122 CZ TYR A 193 7.463 -5.432 8.478 1.00 3.09 C ATOM 2123 OH TYR A 193 6.747 -6.047 9.483 1.00 3.94 O ATOM 0 H TYR A 193 9.250 -5.037 2.646 1.00 0.48 H new ATOM 0 HA TYR A 193 7.760 -3.057 4.220 1.00 0.68 H new ATOM 0 HB2 TYR A 193 10.416 -4.344 4.912 1.00 1.05 H new ATOM 0 HB3 TYR A 193 9.998 -2.745 5.495 1.00 1.05 H new ATOM 0 HD1 TYR A 193 9.987 -6.112 6.344 1.00 2.35 H new ATOM 0 HD2 TYR A 193 7.493 -2.667 6.586 1.00 1.86 H new ATOM 0 HE1 TYR A 193 8.721 -7.157 8.175 1.00 3.17 H new ATOM 0 HE2 TYR A 193 6.236 -3.707 8.417 1.00 2.49 H new ATOM 0 HH TYR A 193 6.074 -5.426 9.832 1.00 3.94 H new ATOM 2133 N TYR A 194 9.291 -1.194 3.334 1.00 0.49 N ATOM 2134 CA TYR A 194 9.985 -0.136 2.620 1.00 0.41 C ATOM 2135 C TYR A 194 11.190 0.325 3.425 1.00 0.40 C ATOM 2136 O TYR A 194 11.039 0.883 4.509 1.00 0.49 O ATOM 2137 CB TYR A 194 9.036 1.040 2.377 1.00 0.56 C ATOM 2138 CG TYR A 194 8.303 1.002 1.051 1.00 0.59 C ATOM 2139 CD1 TYR A 194 8.276 -0.165 0.300 1.00 0.80 C ATOM 2140 CD2 TYR A 194 7.629 2.113 0.554 1.00 0.78 C ATOM 2141 CE1 TYR A 194 7.603 -0.227 -0.903 1.00 0.89 C ATOM 2142 CE2 TYR A 194 6.954 2.056 -0.651 1.00 0.85 C ATOM 2143 CZ TYR A 194 6.968 0.978 -1.391 1.00 0.80 C ATOM 2144 OH TYR A 194 6.266 0.817 -2.569 1.00 0.92 O ATOM 0 H TYR A 194 8.693 -0.865 4.092 1.00 0.49 H new ATOM 0 HA TYR A 194 10.326 -0.519 1.658 1.00 0.41 H new ATOM 0 HB2 TYR A 194 8.301 1.068 3.182 1.00 0.56 H new ATOM 0 HB3 TYR A 194 9.607 1.967 2.434 1.00 0.56 H new ATOM 0 HD1 TYR A 194 8.792 -1.041 0.664 1.00 0.80 H new ATOM 0 HD2 TYR A 194 7.633 3.034 1.118 1.00 0.78 H new ATOM 0 HE1 TYR A 194 7.552 -1.148 -1.464 1.00 0.89 H new ATOM 0 HE2 TYR A 194 6.403 2.921 -0.989 1.00 0.85 H new ATOM 0 HH TYR A 194 5.415 1.299 -2.511 1.00 0.92 H new ATOM 2154 N LYS A 195 12.379 0.094 2.894 1.00 0.37 N ATOM 2155 CA LYS A 195 13.604 0.432 3.603 1.00 0.38 C ATOM 2156 C LYS A 195 14.197 1.714 3.043 1.00 0.39 C ATOM 2157 O LYS A 195 14.450 1.825 1.841 1.00 0.43 O ATOM 2158 CB LYS A 195 14.608 -0.728 3.517 1.00 0.40 C ATOM 2159 CG LYS A 195 15.944 -0.466 4.211 1.00 0.43 C ATOM 2160 CD LYS A 195 16.947 0.237 3.302 1.00 0.46 C ATOM 2161 CE LYS A 195 17.413 -0.655 2.160 1.00 0.53 C ATOM 2162 NZ LYS A 195 18.236 -1.794 2.641 1.00 1.11 N ATOM 0 H LYS A 195 12.523 -0.326 1.976 1.00 0.37 H new ATOM 0 HA LYS A 195 13.371 0.598 4.655 1.00 0.38 H new ATOM 0 HB2 LYS A 195 14.154 -1.617 3.955 1.00 0.40 H new ATOM 0 HB3 LYS A 195 14.797 -0.951 2.467 1.00 0.40 H new ATOM 0 HG2 LYS A 195 15.775 0.143 5.099 1.00 0.43 H new ATOM 0 HG3 LYS A 195 16.366 -1.413 4.549 1.00 0.43 H new ATOM 0 HD2 LYS A 195 16.493 1.140 2.893 1.00 0.46 H new ATOM 0 HD3 LYS A 195 17.809 0.551 3.890 1.00 0.46 H new ATOM 0 HE2 LYS A 195 16.546 -1.037 1.622 1.00 0.53 H new ATOM 0 HE3 LYS A 195 17.993 -0.063 1.452 1.00 0.53 H new ATOM 0 HZ1 LYS A 195 18.671 -2.276 1.828 1.00 1.11 H new ATOM 0 HZ2 LYS A 195 18.982 -1.441 3.274 1.00 1.11 H new ATOM 0 HZ3 LYS A 195 17.632 -2.464 3.158 1.00 1.11 H new ATOM 2176 N VAL A 196 14.408 2.679 3.920 1.00 0.41 N ATOM 2177 CA VAL A 196 14.964 3.958 3.525 1.00 0.45 C ATOM 2178 C VAL A 196 16.452 4.013 3.850 1.00 0.43 C ATOM 2179 O VAL A 196 16.944 3.317 4.742 1.00 0.41 O ATOM 2180 CB VAL A 196 14.237 5.132 4.188 1.00 0.51 C ATOM 2181 CG1 VAL A 196 14.268 6.341 3.273 1.00 0.70 C ATOM 2182 CG2 VAL A 196 12.802 4.757 4.544 1.00 0.68 C ATOM 0 H VAL A 196 14.201 2.599 4.916 1.00 0.41 H new ATOM 0 HA VAL A 196 14.825 4.052 2.448 1.00 0.45 H new ATOM 0 HB VAL A 196 14.752 5.381 5.116 1.00 0.51 H new ATOM 0 HG11 VAL A 196 13.749 7.172 3.751 1.00 0.70 H new ATOM 0 HG12 VAL A 196 15.303 6.623 3.078 1.00 0.70 H new ATOM 0 HG13 VAL A 196 13.774 6.098 2.332 1.00 0.70 H new ATOM 0 HG21 VAL A 196 12.309 5.609 5.013 1.00 0.68 H new ATOM 0 HG22 VAL A 196 12.263 4.480 3.638 1.00 0.68 H new ATOM 0 HG23 VAL A 196 12.807 3.914 5.236 1.00 0.68 H new ATOM 2192 N ILE A 197 17.158 4.819 3.079 1.00 0.47 N ATOM 2193 CA ILE A 197 18.620 4.822 3.075 1.00 0.45 C ATOM 2194 C ILE A 197 19.202 5.843 4.041 1.00 0.45 C ATOM 2195 O ILE A 197 20.198 5.571 4.714 1.00 0.49 O ATOM 2196 CB ILE A 197 19.200 5.144 1.676 1.00 0.47 C ATOM 2197 CG1 ILE A 197 18.111 5.298 0.616 1.00 0.60 C ATOM 2198 CG2 ILE A 197 20.194 4.081 1.241 1.00 0.47 C ATOM 2199 CD1 ILE A 197 17.355 4.029 0.285 1.00 0.62 C ATOM 0 H ILE A 197 16.740 5.492 2.436 1.00 0.47 H new ATOM 0 HA ILE A 197 18.899 3.814 3.381 1.00 0.45 H new ATOM 0 HB ILE A 197 19.714 6.101 1.767 1.00 0.47 H new ATOM 0 HG12 ILE A 197 17.398 6.049 0.956 1.00 0.60 H new ATOM 0 HG13 ILE A 197 18.566 5.681 -0.298 1.00 0.60 H new ATOM 0 HG21 ILE A 197 20.586 4.331 0.255 1.00 0.47 H new ATOM 0 HG22 ILE A 197 21.014 4.035 1.957 1.00 0.47 H new ATOM 0 HG23 ILE A 197 19.696 3.113 1.198 1.00 0.47 H new ATOM 0 HD11 ILE A 197 16.604 4.241 -0.477 1.00 0.62 H new ATOM 0 HD12 ILE A 197 18.051 3.278 -0.090 1.00 0.62 H new ATOM 0 HD13 ILE A 197 16.865 3.653 1.183 1.00 0.62 H new ATOM 2211 N LYS A 198 18.602 7.023 4.092 1.00 0.47 N ATOM 2212 CA LYS A 198 19.179 8.125 4.849 1.00 0.49 C ATOM 2213 C LYS A 198 18.134 8.868 5.662 1.00 0.48 C ATOM 2214 O LYS A 198 16.936 8.726 5.418 1.00 0.49 O ATOM 2215 CB LYS A 198 19.910 9.100 3.910 1.00 0.59 C ATOM 2216 CG LYS A 198 19.148 9.485 2.654 1.00 0.75 C ATOM 2217 CD LYS A 198 17.974 10.391 2.974 1.00 0.94 C ATOM 2218 CE LYS A 198 17.416 11.045 1.734 1.00 0.98 C ATOM 2219 NZ LYS A 198 18.260 12.177 1.264 1.00 1.38 N ATOM 0 H LYS A 198 17.723 7.242 3.623 1.00 0.47 H new ATOM 0 HA LYS A 198 19.896 7.694 5.548 1.00 0.49 H new ATOM 0 HB2 LYS A 198 20.144 10.008 4.466 1.00 0.59 H new ATOM 0 HB3 LYS A 198 20.860 8.653 3.616 1.00 0.59 H new ATOM 0 HG2 LYS A 198 19.820 9.989 1.959 1.00 0.75 H new ATOM 0 HG3 LYS A 198 18.789 8.585 2.154 1.00 0.75 H new ATOM 0 HD2 LYS A 198 17.191 9.812 3.463 1.00 0.94 H new ATOM 0 HD3 LYS A 198 18.290 11.160 3.679 1.00 0.94 H new ATOM 0 HE2 LYS A 198 17.333 10.303 0.940 1.00 0.98 H new ATOM 0 HE3 LYS A 198 16.408 11.407 1.939 1.00 0.98 H new ATOM 0 HZ1 LYS A 198 17.794 12.648 0.462 1.00 1.38 H new ATOM 0 HZ2 LYS A 198 18.389 12.859 2.039 1.00 1.38 H new ATOM 0 HZ3 LYS A 198 19.188 11.816 0.962 1.00 1.38 H new ATOM 2233 N ASP A 199 18.621 9.669 6.608 1.00 0.52 N ATOM 2234 CA ASP A 199 17.786 10.520 7.446 1.00 0.56 C ATOM 2235 C ASP A 199 16.814 11.330 6.592 1.00 0.55 C ATOM 2236 O ASP A 199 17.222 12.213 5.835 1.00 0.67 O ATOM 2237 CB ASP A 199 18.676 11.474 8.244 1.00 0.67 C ATOM 2238 CG ASP A 199 18.025 11.995 9.509 1.00 1.56 C ATOM 2239 OD1 ASP A 199 18.276 11.417 10.589 1.00 2.23 O ATOM 2240 OD2 ASP A 199 17.289 13.003 9.436 1.00 2.13 O ATOM 0 H ASP A 199 19.617 9.744 6.814 1.00 0.52 H new ATOM 0 HA ASP A 199 17.212 9.888 8.124 1.00 0.56 H new ATOM 0 HB2 ASP A 199 19.601 10.961 8.506 1.00 0.67 H new ATOM 0 HB3 ASP A 199 18.948 12.319 7.611 1.00 0.67 H new ATOM 2245 N ILE A 200 15.539 11.024 6.717 1.00 0.52 N ATOM 2246 CA ILE A 200 14.513 11.669 5.912 1.00 0.55 C ATOM 2247 C ILE A 200 14.107 13.002 6.519 1.00 0.54 C ATOM 2248 O ILE A 200 13.801 13.089 7.710 1.00 0.57 O ATOM 2249 CB ILE A 200 13.258 10.777 5.758 1.00 0.63 C ATOM 2250 CG1 ILE A 200 13.563 9.544 4.903 1.00 0.69 C ATOM 2251 CG2 ILE A 200 12.097 11.560 5.154 1.00 0.80 C ATOM 2252 CD1 ILE A 200 14.047 9.869 3.505 1.00 0.88 C ATOM 0 H ILE A 200 15.183 10.328 7.372 1.00 0.52 H new ATOM 0 HA ILE A 200 14.945 11.834 4.925 1.00 0.55 H new ATOM 0 HB ILE A 200 12.968 10.445 6.755 1.00 0.63 H new ATOM 0 HG12 ILE A 200 14.319 8.942 5.408 1.00 0.69 H new ATOM 0 HG13 ILE A 200 12.664 8.932 4.832 1.00 0.69 H new ATOM 0 HG21 ILE A 200 11.229 10.908 5.058 1.00 0.80 H new ATOM 0 HG22 ILE A 200 11.849 12.401 5.802 1.00 0.80 H new ATOM 0 HG23 ILE A 200 12.382 11.932 4.170 1.00 0.80 H new ATOM 0 HD11 ILE A 200 14.241 8.944 2.963 1.00 0.88 H new ATOM 0 HD12 ILE A 200 13.284 10.444 2.980 1.00 0.88 H new ATOM 0 HD13 ILE A 200 14.965 10.454 3.565 1.00 0.88 H new ATOM 2264 N GLU A 201 14.115 14.038 5.697 1.00 0.55 N ATOM 2265 CA GLU A 201 13.653 15.349 6.119 1.00 0.57 C ATOM 2266 C GLU A 201 12.137 15.423 5.987 1.00 0.49 C ATOM 2267 O GLU A 201 11.577 14.966 4.991 1.00 0.55 O ATOM 2268 CB GLU A 201 14.310 16.441 5.277 1.00 0.68 C ATOM 2269 CG GLU A 201 15.815 16.530 5.462 1.00 0.81 C ATOM 2270 CD GLU A 201 16.438 17.639 4.641 1.00 1.29 C ATOM 2271 OE1 GLU A 201 16.320 18.820 5.041 1.00 1.51 O ATOM 2272 OE2 GLU A 201 17.056 17.338 3.598 1.00 2.06 O ATOM 0 H GLU A 201 14.438 13.996 4.730 1.00 0.55 H new ATOM 0 HA GLU A 201 13.930 15.505 7.162 1.00 0.57 H new ATOM 0 HB2 GLU A 201 14.092 16.257 4.225 1.00 0.68 H new ATOM 0 HB3 GLU A 201 13.864 17.402 5.532 1.00 0.68 H new ATOM 0 HG2 GLU A 201 16.039 16.694 6.516 1.00 0.81 H new ATOM 0 HG3 GLU A 201 16.268 15.579 5.184 1.00 0.81 H new ATOM 2279 N PRO A 202 11.444 15.983 6.994 1.00 0.43 N ATOM 2280 CA PRO A 202 9.984 16.068 6.982 1.00 0.43 C ATOM 2281 C PRO A 202 9.474 16.828 5.765 1.00 0.45 C ATOM 2282 O PRO A 202 9.721 18.028 5.622 1.00 0.51 O ATOM 2283 CB PRO A 202 9.643 16.825 8.269 1.00 0.49 C ATOM 2284 CG PRO A 202 10.840 16.663 9.139 1.00 0.49 C ATOM 2285 CD PRO A 202 12.017 16.585 8.210 1.00 0.45 C ATOM 0 HA PRO A 202 9.520 15.083 6.930 1.00 0.43 H new ATOM 0 HB2 PRO A 202 9.441 17.877 8.067 1.00 0.49 H new ATOM 0 HB3 PRO A 202 8.751 16.415 8.744 1.00 0.49 H new ATOM 0 HG2 PRO A 202 10.940 17.503 9.826 1.00 0.49 H new ATOM 0 HG3 PRO A 202 10.762 15.762 9.747 1.00 0.49 H new ATOM 0 HD2 PRO A 202 12.440 17.570 8.011 1.00 0.45 H new ATOM 0 HD3 PRO A 202 12.818 15.972 8.624 1.00 0.45 H new ATOM 2293 N GLY A 203 8.778 16.122 4.883 1.00 0.44 N ATOM 2294 CA GLY A 203 8.237 16.751 3.700 1.00 0.52 C ATOM 2295 C GLY A 203 8.713 16.121 2.404 1.00 0.54 C ATOM 2296 O GLY A 203 8.265 16.518 1.328 1.00 0.70 O ATOM 0 H GLY A 203 8.580 15.125 4.968 1.00 0.44 H new ATOM 0 HA2 GLY A 203 7.149 16.703 3.739 1.00 0.52 H new ATOM 0 HA3 GLY A 203 8.510 17.806 3.703 1.00 0.52 H new ATOM 2300 N GLU A 204 9.626 15.156 2.477 1.00 0.48 N ATOM 2301 CA GLU A 204 10.038 14.448 1.271 1.00 0.51 C ATOM 2302 C GLU A 204 9.588 12.989 1.311 1.00 0.39 C ATOM 2303 O GLU A 204 9.905 12.245 2.240 1.00 0.40 O ATOM 2304 CB GLU A 204 11.555 14.548 1.050 1.00 0.65 C ATOM 2305 CG GLU A 204 12.401 13.960 2.169 1.00 0.71 C ATOM 2306 CD GLU A 204 13.885 14.067 1.889 1.00 0.99 C ATOM 2307 OE1 GLU A 204 14.486 13.063 1.449 1.00 1.16 O ATOM 2308 OE2 GLU A 204 14.463 15.151 2.105 1.00 1.27 O ATOM 0 H GLU A 204 10.084 14.853 3.336 1.00 0.48 H new ATOM 0 HA GLU A 204 9.549 14.930 0.425 1.00 0.51 H new ATOM 0 HB2 GLU A 204 11.807 14.042 0.118 1.00 0.65 H new ATOM 0 HB3 GLU A 204 11.822 15.597 0.924 1.00 0.65 H new ATOM 0 HG2 GLU A 204 12.172 14.475 3.102 1.00 0.71 H new ATOM 0 HG3 GLU A 204 12.135 12.912 2.309 1.00 0.71 H new ATOM 2315 N GLU A 205 8.806 12.605 0.314 1.00 0.47 N ATOM 2316 CA GLU A 205 8.345 11.230 0.178 1.00 0.51 C ATOM 2317 C GLU A 205 8.989 10.536 -1.018 1.00 0.43 C ATOM 2318 O GLU A 205 8.493 10.629 -2.139 1.00 0.49 O ATOM 2319 CB GLU A 205 6.814 11.183 0.044 1.00 0.80 C ATOM 2320 CG GLU A 205 6.158 12.514 -0.326 1.00 1.49 C ATOM 2321 CD GLU A 205 6.620 13.074 -1.660 1.00 2.41 C ATOM 2322 OE1 GLU A 205 7.560 13.905 -1.664 1.00 2.84 O ATOM 2323 OE2 GLU A 205 6.049 12.703 -2.700 1.00 2.92 O ATOM 0 H GLU A 205 8.474 13.232 -0.419 1.00 0.47 H new ATOM 0 HA GLU A 205 8.643 10.698 1.081 1.00 0.51 H new ATOM 0 HB2 GLU A 205 6.553 10.443 -0.713 1.00 0.80 H new ATOM 0 HB3 GLU A 205 6.392 10.837 0.987 1.00 0.80 H new ATOM 0 HG2 GLU A 205 5.077 12.380 -0.353 1.00 1.49 H new ATOM 0 HG3 GLU A 205 6.369 13.243 0.456 1.00 1.49 H new ATOM 2330 N LEU A 206 10.088 9.831 -0.792 1.00 0.37 N ATOM 2331 CA LEU A 206 10.694 9.042 -1.857 1.00 0.36 C ATOM 2332 C LEU A 206 10.829 7.586 -1.423 1.00 0.36 C ATOM 2333 O LEU A 206 11.779 7.231 -0.732 1.00 0.39 O ATOM 2334 CB LEU A 206 12.084 9.584 -2.232 1.00 0.41 C ATOM 2335 CG LEU A 206 12.162 11.011 -2.793 1.00 0.44 C ATOM 2336 CD1 LEU A 206 11.128 11.232 -3.887 1.00 0.90 C ATOM 2337 CD2 LEU A 206 12.022 12.038 -1.678 1.00 0.84 C ATOM 0 H LEU A 206 10.573 9.788 0.104 1.00 0.37 H new ATOM 0 HA LEU A 206 10.043 9.111 -2.729 1.00 0.36 H new ATOM 0 HB2 LEU A 206 12.714 9.537 -1.344 1.00 0.41 H new ATOM 0 HB3 LEU A 206 12.521 8.909 -2.968 1.00 0.41 H new ATOM 0 HG LEU A 206 13.145 11.142 -3.246 1.00 0.44 H new ATOM 0 HD11 LEU A 206 11.209 12.252 -4.264 1.00 0.90 H new ATOM 0 HD12 LEU A 206 11.304 10.529 -4.701 1.00 0.90 H new ATOM 0 HD13 LEU A 206 10.129 11.074 -3.481 1.00 0.90 H new ATOM 0 HD21 LEU A 206 12.080 13.042 -2.099 1.00 0.84 H new ATOM 0 HD22 LEU A 206 11.060 11.908 -1.182 1.00 0.84 H new ATOM 0 HD23 LEU A 206 12.825 11.901 -0.954 1.00 0.84 H new ATOM 2349 N LEU A 207 9.892 6.746 -1.857 1.00 0.37 N ATOM 2350 CA LEU A 207 9.902 5.315 -1.538 1.00 0.40 C ATOM 2351 C LEU A 207 9.298 4.515 -2.694 1.00 0.43 C ATOM 2352 O LEU A 207 8.140 4.714 -3.032 1.00 0.53 O ATOM 2353 CB LEU A 207 9.109 5.037 -0.251 1.00 0.43 C ATOM 2354 CG LEU A 207 9.840 5.266 1.088 1.00 0.45 C ATOM 2355 CD1 LEU A 207 11.284 4.783 1.026 1.00 0.49 C ATOM 2356 CD2 LEU A 207 9.768 6.729 1.512 1.00 0.44 C ATOM 0 H LEU A 207 9.105 7.034 -2.438 1.00 0.37 H new ATOM 0 HA LEU A 207 10.937 5.008 -1.385 1.00 0.40 H new ATOM 0 HB2 LEU A 207 8.217 5.664 -0.261 1.00 0.43 H new ATOM 0 HB3 LEU A 207 8.771 4.001 -0.279 1.00 0.43 H new ATOM 0 HG LEU A 207 9.328 4.673 1.845 1.00 0.45 H new ATOM 0 HD11 LEU A 207 11.768 4.960 1.986 1.00 0.49 H new ATOM 0 HD12 LEU A 207 11.302 3.716 0.802 1.00 0.49 H new ATOM 0 HD13 LEU A 207 11.816 5.327 0.245 1.00 0.49 H new ATOM 0 HD21 LEU A 207 10.292 6.860 2.459 1.00 0.44 H new ATOM 0 HD22 LEU A 207 10.236 7.352 0.750 1.00 0.44 H new ATOM 0 HD23 LEU A 207 8.725 7.022 1.631 1.00 0.44 H new ATOM 2368 N VAL A 208 10.063 3.618 -3.304 1.00 0.43 N ATOM 2369 CA VAL A 208 9.528 2.819 -4.400 1.00 0.50 C ATOM 2370 C VAL A 208 10.264 1.493 -4.534 1.00 0.57 C ATOM 2371 O VAL A 208 11.398 1.347 -4.070 1.00 0.59 O ATOM 2372 CB VAL A 208 9.613 3.567 -5.752 1.00 0.48 C ATOM 2373 CG1 VAL A 208 11.047 3.605 -6.265 1.00 0.91 C ATOM 2374 CG2 VAL A 208 8.687 2.934 -6.782 1.00 0.88 C ATOM 0 H VAL A 208 11.036 3.427 -3.065 1.00 0.43 H new ATOM 0 HA VAL A 208 8.482 2.634 -4.157 1.00 0.50 H new ATOM 0 HB VAL A 208 9.286 4.594 -5.588 1.00 0.48 H new ATOM 0 HG11 VAL A 208 11.079 4.136 -7.216 1.00 0.91 H new ATOM 0 HG12 VAL A 208 11.679 4.119 -5.541 1.00 0.91 H new ATOM 0 HG13 VAL A 208 11.410 2.587 -6.405 1.00 0.91 H new ATOM 0 HG21 VAL A 208 8.765 3.477 -7.724 1.00 0.88 H new ATOM 0 HG22 VAL A 208 8.974 1.894 -6.938 1.00 0.88 H new ATOM 0 HG23 VAL A 208 7.659 2.977 -6.422 1.00 0.88 H new ATOM 2384 N HIS A 209 9.598 0.533 -5.156 1.00 0.69 N ATOM 2385 CA HIS A 209 10.256 -0.652 -5.666 1.00 0.82 C ATOM 2386 C HIS A 209 10.135 -0.653 -7.181 1.00 0.94 C ATOM 2387 O HIS A 209 9.037 -0.814 -7.719 1.00 1.09 O ATOM 2388 CB HIS A 209 9.628 -1.922 -5.092 1.00 1.02 C ATOM 2389 CG HIS A 209 10.216 -3.182 -5.650 1.00 1.20 C ATOM 2390 ND1 HIS A 209 9.426 -4.151 -6.214 1.00 1.42 N ATOM 2391 CD2 HIS A 209 11.512 -3.574 -5.716 1.00 1.41 C ATOM 2392 CE1 HIS A 209 10.253 -5.102 -6.612 1.00 1.54 C ATOM 2393 NE2 HIS A 209 11.526 -4.796 -6.331 1.00 1.55 N ATOM 0 H HIS A 209 8.591 0.556 -5.319 1.00 0.69 H new ATOM 0 HA HIS A 209 11.304 -0.637 -5.367 1.00 0.82 H new ATOM 0 HB2 HIS A 209 9.751 -1.921 -4.009 1.00 1.02 H new ATOM 0 HB3 HIS A 209 8.556 -1.911 -5.292 1.00 1.02 H new ATOM 0 HD2 HIS A 209 12.369 -3.027 -5.353 1.00 1.41 H new ATOM 0 HE1 HIS A 209 9.941 -6.012 -7.103 1.00 1.54 H new ATOM 0 HE2 HIS A 209 12.348 -5.364 -6.536 1.00 1.55 H new ATOM 2401 N VAL A 210 11.253 -0.456 -7.864 1.00 1.14 N ATOM 2402 CA VAL A 210 11.252 -0.420 -9.318 1.00 1.45 C ATOM 2403 C VAL A 210 11.117 -1.828 -9.874 1.00 1.58 C ATOM 2404 O VAL A 210 12.086 -2.586 -9.936 1.00 1.82 O ATOM 2405 CB VAL A 210 12.523 0.252 -9.883 1.00 1.92 C ATOM 2406 CG1 VAL A 210 12.498 0.267 -11.407 1.00 2.56 C ATOM 2407 CG2 VAL A 210 12.659 1.665 -9.341 1.00 2.44 C ATOM 0 H VAL A 210 12.169 -0.319 -7.436 1.00 1.14 H new ATOM 0 HA VAL A 210 10.397 0.180 -9.630 1.00 1.45 H new ATOM 0 HB VAL A 210 13.387 -0.330 -9.563 1.00 1.92 H new ATOM 0 HG11 VAL A 210 13.403 0.745 -11.781 1.00 2.56 H new ATOM 0 HG12 VAL A 210 12.447 -0.756 -11.780 1.00 2.56 H new ATOM 0 HG13 VAL A 210 11.626 0.823 -11.751 1.00 2.56 H new ATOM 0 HG21 VAL A 210 13.559 2.126 -9.748 1.00 2.44 H new ATOM 0 HG22 VAL A 210 11.788 2.252 -9.632 1.00 2.44 H new ATOM 0 HG23 VAL A 210 12.728 1.633 -8.254 1.00 2.44 H new