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 185 MET CE :methyl 137:sc= -1.35 (180deg=-2.46) USER MOD Set 1.2: A 194 TYR OH : rot 133:sc= 0.138 USER MOD Set 2.1: A 191 GLN : amide:sc=-0.00356 X(o=-0.0036,f=0.0069) USER MOD Set 2.2: A 193 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 176 CYS SG : rot -65:sc= 0.972 USER MOD Set 3.2: A 177 SER OG : rot 180:sc= -0.0824 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+ 156:sc= -0.139 (180deg=-0.413) USER MOD Single : A 103 LYS NZ :NH3+ 162:sc= -0.0509 (180deg=-0.332) USER MOD Single : A 104 MET CE :methyl -124:sc= -2.63 (180deg=-3.45!) USER MOD Single : A 113 CYS SG : rot 79:sc= 0.985 USER MOD Single : A 167 SER OG : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0357) USER MOD Single : A 171 TYR OH : rot 180:sc= 0 USER MOD Single : A 178 CYS SG : rot 180:sc= -0.114 USER MOD Single : A 181 GLN : amide:sc= -0.406 X(o=-0.41,f=-0.049) USER MOD Single : A 182 ASN : amide:sc= -10.3! C(o=-10!,f=-12!) USER MOD Single : A 184 THR OG1 : rot 180:sc= -0.0104 USER MOD Single : A 186 CYS SG : rot 12:sc= -0.417 USER MOD Single : A 187 GLN : amide:sc= -1.12 K(o=-1.1,f=-0.35) USER MOD Single : A 189 SER OG : rot 180:sc= 0 USER MOD Single : A 195 LYS NZ :NH3+ -164:sc= -0.0426 (180deg=-0.344) USER MOD Single : A 198 LYS NZ :NH3+ -158:sc= 2.37 (180deg=1.93) USER MOD Single : A 209 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.046) USER MOD ----------------------------------------------------------------- ATOM 388 N ILE A 78 -6.570 5.009 3.089 1.00 1.90 N ATOM 389 CA ILE A 78 -5.795 4.063 3.871 1.00 1.74 C ATOM 390 C ILE A 78 -5.186 4.750 5.093 1.00 1.48 C ATOM 391 O ILE A 78 -4.651 5.854 4.986 1.00 1.42 O ATOM 392 CB ILE A 78 -4.679 3.442 3.005 1.00 1.86 C ATOM 393 CG1 ILE A 78 -5.286 2.832 1.737 1.00 2.18 C ATOM 394 CG2 ILE A 78 -3.910 2.389 3.793 1.00 1.84 C ATOM 395 CD1 ILE A 78 -4.261 2.296 0.763 1.00 2.45 C ATOM 0 HA ILE A 78 -6.462 3.271 4.212 1.00 1.74 H new ATOM 0 HB ILE A 78 -3.978 4.226 2.719 1.00 1.86 H new ATOM 0 HG12 ILE A 78 -5.960 2.024 2.021 1.00 2.18 H new ATOM 0 HG13 ILE A 78 -5.889 3.588 1.235 1.00 2.18 H new ATOM 0 HG21 ILE A 78 -3.128 1.963 3.164 1.00 1.84 H new ATOM 0 HG22 ILE A 78 -3.459 2.850 4.672 1.00 1.84 H new ATOM 0 HG23 ILE A 78 -4.593 1.599 4.107 1.00 1.84 H new ATOM 0 HD11 ILE A 78 -4.769 1.881 -0.108 1.00 2.45 H new ATOM 0 HD12 ILE A 78 -3.601 3.104 0.448 1.00 2.45 H new ATOM 0 HD13 ILE A 78 -3.673 1.516 1.246 1.00 2.45 H new ATOM 407 N PRO A 79 -5.296 4.125 6.280 1.00 1.44 N ATOM 408 CA PRO A 79 -4.721 4.670 7.515 1.00 1.27 C ATOM 409 C PRO A 79 -3.195 4.580 7.531 1.00 1.11 C ATOM 410 O PRO A 79 -2.622 3.500 7.360 1.00 1.23 O ATOM 411 CB PRO A 79 -5.329 3.788 8.609 1.00 1.50 C ATOM 412 CG PRO A 79 -5.637 2.498 7.931 1.00 1.75 C ATOM 413 CD PRO A 79 -5.998 2.847 6.513 1.00 1.70 C ATOM 0 HA PRO A 79 -4.941 5.730 7.638 1.00 1.27 H new ATOM 0 HB2 PRO A 79 -4.632 3.644 9.434 1.00 1.50 H new ATOM 0 HB3 PRO A 79 -6.229 4.240 9.027 1.00 1.50 H new ATOM 0 HG2 PRO A 79 -4.778 1.828 7.961 1.00 1.75 H new ATOM 0 HG3 PRO A 79 -6.460 1.984 8.427 1.00 1.75 H new ATOM 0 HD2 PRO A 79 -5.671 2.077 5.815 1.00 1.70 H new ATOM 0 HD3 PRO A 79 -7.076 2.953 6.388 1.00 1.70 H new ATOM 421 N ILE A 80 -2.545 5.716 7.743 1.00 0.93 N ATOM 422 CA ILE A 80 -1.092 5.786 7.690 1.00 0.82 C ATOM 423 C ILE A 80 -0.505 6.057 9.079 1.00 0.72 C ATOM 424 O ILE A 80 -1.206 6.539 9.972 1.00 0.74 O ATOM 425 CB ILE A 80 -0.598 6.874 6.698 1.00 0.86 C ATOM 426 CG1 ILE A 80 -0.928 8.288 7.198 1.00 0.89 C ATOM 427 CG2 ILE A 80 -1.210 6.656 5.323 1.00 1.01 C ATOM 428 CD1 ILE A 80 -2.372 8.705 7.014 1.00 0.99 C ATOM 0 H ILE A 80 -3.002 6.603 7.954 1.00 0.93 H new ATOM 0 HA ILE A 80 -0.745 4.816 7.334 1.00 0.82 H new ATOM 0 HB ILE A 80 0.486 6.785 6.628 1.00 0.86 H new ATOM 0 HG12 ILE A 80 -0.678 8.351 8.257 1.00 0.89 H new ATOM 0 HG13 ILE A 80 -0.289 9.001 6.677 1.00 0.89 H new ATOM 0 HG21 ILE A 80 -0.854 7.427 4.640 1.00 1.01 H new ATOM 0 HG22 ILE A 80 -0.919 5.675 4.947 1.00 1.01 H new ATOM 0 HG23 ILE A 80 -2.296 6.710 5.396 1.00 1.01 H new ATOM 0 HD11 ILE A 80 -2.510 9.717 7.396 1.00 0.99 H new ATOM 0 HD12 ILE A 80 -2.626 8.679 5.954 1.00 0.99 H new ATOM 0 HD13 ILE A 80 -3.021 8.020 7.559 1.00 0.99 H new ATOM 440 N PRO A 81 0.785 5.728 9.284 1.00 0.68 N ATOM 441 CA PRO A 81 1.482 5.948 10.560 1.00 0.67 C ATOM 442 C PRO A 81 1.612 7.427 10.911 1.00 0.64 C ATOM 443 O PRO A 81 1.505 8.301 10.050 1.00 0.61 O ATOM 444 CB PRO A 81 2.870 5.339 10.329 1.00 0.69 C ATOM 445 CG PRO A 81 2.703 4.441 9.160 1.00 0.71 C ATOM 446 CD PRO A 81 1.667 5.093 8.299 1.00 0.73 C ATOM 0 HA PRO A 81 0.937 5.502 11.392 1.00 0.67 H new ATOM 0 HB2 PRO A 81 3.613 6.112 10.131 1.00 0.69 H new ATOM 0 HB3 PRO A 81 3.210 4.788 11.205 1.00 0.69 H new ATOM 0 HG2 PRO A 81 3.642 4.321 8.620 1.00 0.71 H new ATOM 0 HG3 PRO A 81 2.385 3.446 9.472 1.00 0.71 H new ATOM 0 HD2 PRO A 81 2.106 5.823 7.619 1.00 0.73 H new ATOM 0 HD3 PRO A 81 1.134 4.366 7.686 1.00 0.73 H new ATOM 454 N ALA A 82 1.891 7.690 12.180 1.00 0.75 N ATOM 455 CA ALA A 82 1.847 9.039 12.730 1.00 0.80 C ATOM 456 C ALA A 82 2.957 9.948 12.201 1.00 0.71 C ATOM 457 O ALA A 82 2.976 11.134 12.515 1.00 0.78 O ATOM 458 CB ALA A 82 1.906 8.981 14.246 1.00 1.04 C ATOM 0 H ALA A 82 2.154 6.975 12.858 1.00 0.75 H new ATOM 0 HA ALA A 82 0.904 9.477 12.404 1.00 0.80 H new ATOM 0 HB1 ALA A 82 1.873 9.993 14.650 1.00 1.04 H new ATOM 0 HB2 ALA A 82 1.056 8.412 14.622 1.00 1.04 H new ATOM 0 HB3 ALA A 82 2.832 8.497 14.556 1.00 1.04 H new ATOM 464 N ASP A 83 3.871 9.418 11.396 1.00 0.67 N ATOM 465 CA ASP A 83 4.954 10.242 10.856 1.00 0.70 C ATOM 466 C ASP A 83 4.818 10.442 9.361 1.00 0.55 C ATOM 467 O ASP A 83 5.653 11.097 8.746 1.00 0.60 O ATOM 468 CB ASP A 83 6.322 9.638 11.163 1.00 0.88 C ATOM 469 CG ASP A 83 6.601 9.546 12.644 1.00 1.05 C ATOM 470 OD1 ASP A 83 6.605 10.594 13.320 1.00 1.39 O ATOM 471 OD2 ASP A 83 6.838 8.429 13.138 1.00 1.66 O ATOM 0 H ASP A 83 3.888 8.441 11.105 1.00 0.67 H new ATOM 0 HA ASP A 83 4.876 11.213 11.346 1.00 0.70 H new ATOM 0 HB2 ASP A 83 6.381 8.642 10.724 1.00 0.88 H new ATOM 0 HB3 ASP A 83 7.096 10.242 10.689 1.00 0.88 H new ATOM 476 N PHE A 84 3.767 9.901 8.781 1.00 0.45 N ATOM 477 CA PHE A 84 3.511 10.084 7.361 1.00 0.41 C ATOM 478 C PHE A 84 2.097 10.574 7.182 1.00 0.40 C ATOM 479 O PHE A 84 1.209 10.166 7.918 1.00 0.56 O ATOM 480 CB PHE A 84 3.726 8.784 6.579 1.00 0.42 C ATOM 481 CG PHE A 84 5.115 8.242 6.712 1.00 0.56 C ATOM 482 CD1 PHE A 84 5.443 7.398 7.759 1.00 0.66 C ATOM 483 CD2 PHE A 84 6.094 8.591 5.799 1.00 0.79 C ATOM 484 CE1 PHE A 84 6.726 6.911 7.892 1.00 0.87 C ATOM 485 CE2 PHE A 84 7.378 8.107 5.928 1.00 0.98 C ATOM 486 CZ PHE A 84 7.693 7.266 6.975 1.00 1.00 C ATOM 0 H PHE A 84 3.075 9.331 9.267 1.00 0.45 H new ATOM 0 HA PHE A 84 4.214 10.818 6.968 1.00 0.41 H new ATOM 0 HB2 PHE A 84 3.015 8.035 6.928 1.00 0.42 H new ATOM 0 HB3 PHE A 84 3.511 8.961 5.525 1.00 0.42 H new ATOM 0 HD1 PHE A 84 4.687 7.119 8.478 1.00 0.66 H new ATOM 0 HD2 PHE A 84 5.850 9.249 4.978 1.00 0.79 H new ATOM 0 HE1 PHE A 84 6.973 6.253 8.712 1.00 0.87 H new ATOM 0 HE2 PHE A 84 8.136 8.386 5.211 1.00 0.98 H new ATOM 0 HZ PHE A 84 8.698 6.885 7.077 1.00 1.00 H new ATOM 496 N GLU A 85 1.892 11.489 6.263 1.00 0.39 N ATOM 497 CA GLU A 85 0.566 11.994 6.015 1.00 0.44 C ATOM 498 C GLU A 85 0.187 11.777 4.565 1.00 0.39 C ATOM 499 O GLU A 85 0.915 12.172 3.655 1.00 0.40 O ATOM 500 CB GLU A 85 0.473 13.475 6.393 1.00 0.61 C ATOM 501 CG GLU A 85 -0.878 14.099 6.105 1.00 1.15 C ATOM 502 CD GLU A 85 -1.020 15.470 6.722 1.00 1.60 C ATOM 503 OE1 GLU A 85 -1.860 15.636 7.632 1.00 1.88 O ATOM 504 OE2 GLU A 85 -0.292 16.391 6.300 1.00 2.27 O ATOM 0 H GLU A 85 2.623 11.895 5.679 1.00 0.39 H new ATOM 0 HA GLU A 85 -0.140 11.446 6.639 1.00 0.44 H new ATOM 0 HB2 GLU A 85 0.693 13.583 7.455 1.00 0.61 H new ATOM 0 HB3 GLU A 85 1.240 14.027 5.850 1.00 0.61 H new ATOM 0 HG2 GLU A 85 -1.019 14.172 5.027 1.00 1.15 H new ATOM 0 HG3 GLU A 85 -1.665 13.448 6.486 1.00 1.15 H new ATOM 511 N LEU A 86 -0.946 11.139 4.357 1.00 0.41 N ATOM 512 CA LEU A 86 -1.399 10.839 3.020 1.00 0.43 C ATOM 513 C LEU A 86 -2.125 12.038 2.451 1.00 0.44 C ATOM 514 O LEU A 86 -3.045 12.578 3.069 1.00 0.48 O ATOM 515 CB LEU A 86 -2.297 9.608 3.031 1.00 0.52 C ATOM 516 CG LEU A 86 -2.496 8.922 1.680 1.00 0.59 C ATOM 517 CD1 LEU A 86 -2.913 7.485 1.896 1.00 0.79 C ATOM 518 CD2 LEU A 86 -3.538 9.650 0.839 1.00 0.70 C ATOM 0 H LEU A 86 -1.569 10.819 5.099 1.00 0.41 H new ATOM 0 HA LEU A 86 -0.540 10.620 2.386 1.00 0.43 H new ATOM 0 HB2 LEU A 86 -1.879 8.882 3.728 1.00 0.52 H new ATOM 0 HB3 LEU A 86 -3.274 9.897 3.419 1.00 0.52 H new ATOM 0 HG LEU A 86 -1.551 8.949 1.138 1.00 0.59 H new ATOM 0 HD11 LEU A 86 -3.054 6.998 0.931 1.00 0.79 H new ATOM 0 HD12 LEU A 86 -2.138 6.962 2.457 1.00 0.79 H new ATOM 0 HD13 LEU A 86 -3.848 7.458 2.456 1.00 0.79 H new ATOM 0 HD21 LEU A 86 -3.657 9.138 -0.116 1.00 0.70 H new ATOM 0 HD22 LEU A 86 -4.491 9.658 1.368 1.00 0.70 H new ATOM 0 HD23 LEU A 86 -3.212 10.675 0.663 1.00 0.70 H new ATOM 530 N ARG A 87 -1.694 12.450 1.278 1.00 0.47 N ATOM 531 CA ARG A 87 -2.205 13.652 0.645 1.00 0.55 C ATOM 532 C ARG A 87 -2.076 13.534 -0.858 1.00 0.61 C ATOM 533 O ARG A 87 -0.998 13.216 -1.366 1.00 0.66 O ATOM 534 CB ARG A 87 -1.415 14.878 1.111 1.00 0.62 C ATOM 535 CG ARG A 87 -1.705 15.325 2.533 1.00 0.69 C ATOM 536 CD ARG A 87 -0.769 16.448 2.954 1.00 1.04 C ATOM 537 NE ARG A 87 -0.774 17.558 1.998 1.00 1.63 N ATOM 538 CZ ARG A 87 0.329 18.133 1.515 1.00 2.32 C ATOM 539 NH1 ARG A 87 1.528 17.755 1.942 1.00 2.62 N ATOM 540 NH2 ARG A 87 0.235 19.105 0.618 1.00 3.21 N ATOM 0 H ARG A 87 -0.981 11.964 0.735 1.00 0.47 H new ATOM 0 HA ARG A 87 -3.253 13.768 0.923 1.00 0.55 H new ATOM 0 HB2 ARG A 87 -0.351 14.660 1.024 1.00 0.62 H new ATOM 0 HB3 ARG A 87 -1.627 15.707 0.435 1.00 0.62 H new ATOM 0 HG2 ARG A 87 -2.739 15.661 2.608 1.00 0.69 H new ATOM 0 HG3 ARG A 87 -1.594 14.480 3.213 1.00 0.69 H new ATOM 0 HD2 ARG A 87 -1.064 16.816 3.937 1.00 1.04 H new ATOM 0 HD3 ARG A 87 0.244 16.058 3.050 1.00 1.04 H new ATOM 0 HE ARG A 87 -1.676 17.913 1.682 1.00 1.63 H new ATOM 0 HH11 ARG A 87 1.611 17.020 2.644 1.00 2.62 H new ATOM 0 HH12 ARG A 87 2.366 18.200 1.568 1.00 2.62 H new ATOM 0 HH21 ARG A 87 -0.682 19.415 0.296 1.00 3.21 H new ATOM 0 HH22 ARG A 87 1.080 19.543 0.250 1.00 3.21 H new ATOM 554 N GLU A 88 -3.158 13.772 -1.575 1.00 0.73 N ATOM 555 CA GLU A 88 -3.079 13.803 -3.017 1.00 0.84 C ATOM 556 C GLU A 88 -2.586 15.172 -3.459 1.00 0.87 C ATOM 557 O GLU A 88 -3.268 16.183 -3.281 1.00 0.98 O ATOM 558 CB GLU A 88 -4.424 13.486 -3.662 1.00 1.06 C ATOM 559 CG GLU A 88 -4.314 13.276 -5.162 1.00 1.61 C ATOM 560 CD GLU A 88 -5.638 12.971 -5.819 1.00 1.96 C ATOM 561 OE1 GLU A 88 -6.222 13.886 -6.437 1.00 2.46 O ATOM 562 OE2 GLU A 88 -6.088 11.812 -5.743 1.00 2.21 O ATOM 0 H GLU A 88 -4.086 13.944 -1.188 1.00 0.73 H new ATOM 0 HA GLU A 88 -2.378 13.035 -3.343 1.00 0.84 H new ATOM 0 HB2 GLU A 88 -4.842 12.590 -3.203 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -5.120 14.301 -3.462 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -3.887 14.170 -5.617 1.00 1.61 H new ATOM 0 HG3 GLU A 88 -3.622 12.457 -5.358 1.00 1.61 H new ATOM 569 N SER A 89 -1.388 15.191 -4.011 1.00 0.85 N ATOM 570 CA SER A 89 -0.758 16.421 -4.451 1.00 0.95 C ATOM 571 C SER A 89 0.394 16.069 -5.377 1.00 0.90 C ATOM 572 O SER A 89 1.511 15.827 -4.921 1.00 1.11 O ATOM 573 CB SER A 89 -0.260 17.224 -3.242 1.00 1.03 C ATOM 574 OG SER A 89 0.269 18.480 -3.628 1.00 1.58 O ATOM 0 H SER A 89 -0.825 14.355 -4.167 1.00 0.85 H new ATOM 0 HA SER A 89 -1.478 17.039 -4.986 1.00 0.95 H new ATOM 0 HB2 SER A 89 -1.082 17.375 -2.542 1.00 1.03 H new ATOM 0 HB3 SER A 89 0.505 16.653 -2.716 1.00 1.03 H new ATOM 0 HG SER A 89 0.575 18.964 -2.833 1.00 1.58 H new ATOM 580 N SER A 90 0.099 16.023 -6.670 1.00 0.86 N ATOM 581 CA SER A 90 1.044 15.555 -7.672 1.00 0.88 C ATOM 582 C SER A 90 2.371 16.307 -7.605 1.00 0.87 C ATOM 583 O SER A 90 2.468 17.466 -8.004 1.00 1.02 O ATOM 584 CB SER A 90 0.428 15.701 -9.064 1.00 1.13 C ATOM 585 OG SER A 90 -0.828 15.039 -9.131 1.00 1.86 O ATOM 0 H SER A 90 -0.802 16.309 -7.052 1.00 0.86 H new ATOM 0 HA SER A 90 1.255 14.506 -7.467 1.00 0.88 H new ATOM 0 HB2 SER A 90 0.301 16.757 -9.302 1.00 1.13 H new ATOM 0 HB3 SER A 90 1.104 15.285 -9.811 1.00 1.13 H new ATOM 0 HG SER A 90 -1.206 15.146 -10.029 1.00 1.86 H new ATOM 591 N ILE A 91 3.384 15.636 -7.076 1.00 0.86 N ATOM 592 CA ILE A 91 4.735 16.169 -7.061 1.00 1.01 C ATOM 593 C ILE A 91 5.479 15.689 -8.310 1.00 1.09 C ATOM 594 O ILE A 91 5.554 14.488 -8.571 1.00 1.08 O ATOM 595 CB ILE A 91 5.477 15.771 -5.750 1.00 1.10 C ATOM 596 CG1 ILE A 91 6.935 16.271 -5.734 1.00 1.35 C ATOM 597 CG2 ILE A 91 5.421 14.266 -5.521 1.00 1.07 C ATOM 598 CD1 ILE A 91 7.936 15.334 -6.389 1.00 1.45 C ATOM 0 H ILE A 91 3.292 14.714 -6.649 1.00 0.86 H new ATOM 0 HA ILE A 91 4.698 17.258 -7.079 1.00 1.01 H new ATOM 0 HB ILE A 91 4.955 16.263 -4.929 1.00 1.10 H new ATOM 0 HG12 ILE A 91 6.979 17.237 -6.238 1.00 1.35 H new ATOM 0 HG13 ILE A 91 7.236 16.437 -4.700 1.00 1.35 H new ATOM 0 HG21 ILE A 91 5.947 14.018 -4.599 1.00 1.07 H new ATOM 0 HG22 ILE A 91 4.381 13.948 -5.442 1.00 1.07 H new ATOM 0 HG23 ILE A 91 5.895 13.753 -6.358 1.00 1.07 H new ATOM 0 HD11 ILE A 91 8.934 15.769 -6.330 1.00 1.45 H new ATOM 0 HD12 ILE A 91 7.927 14.374 -5.873 1.00 1.45 H new ATOM 0 HD13 ILE A 91 7.666 15.186 -7.435 1.00 1.45 H new ATOM 610 N PRO A 92 6.000 16.638 -9.112 1.00 1.24 N ATOM 611 CA PRO A 92 6.664 16.344 -10.388 1.00 1.37 C ATOM 612 C PRO A 92 7.671 15.201 -10.297 1.00 1.47 C ATOM 613 O PRO A 92 8.670 15.293 -9.585 1.00 1.61 O ATOM 614 CB PRO A 92 7.376 17.654 -10.718 1.00 1.58 C ATOM 615 CG PRO A 92 6.532 18.703 -10.089 1.00 1.59 C ATOM 616 CD PRO A 92 5.976 18.089 -8.834 1.00 1.37 C ATOM 0 HA PRO A 92 5.950 16.016 -11.143 1.00 1.37 H new ATOM 0 HB2 PRO A 92 8.390 17.667 -10.318 1.00 1.58 H new ATOM 0 HB3 PRO A 92 7.457 17.802 -11.795 1.00 1.58 H new ATOM 0 HG2 PRO A 92 7.120 19.592 -9.861 1.00 1.59 H new ATOM 0 HG3 PRO A 92 5.731 19.014 -10.760 1.00 1.59 H new ATOM 0 HD2 PRO A 92 6.582 18.340 -7.963 1.00 1.37 H new ATOM 0 HD3 PRO A 92 4.965 18.441 -8.630 1.00 1.37 H new ATOM 624 N GLY A 93 7.397 14.128 -11.027 1.00 1.47 N ATOM 625 CA GLY A 93 8.289 12.988 -11.041 1.00 1.62 C ATOM 626 C GLY A 93 7.711 11.790 -10.312 1.00 1.58 C ATOM 627 O GLY A 93 8.044 10.646 -10.628 1.00 1.74 O ATOM 0 H GLY A 93 6.568 14.028 -11.612 1.00 1.47 H new ATOM 0 HA2 GLY A 93 8.505 12.712 -12.073 1.00 1.62 H new ATOM 0 HA3 GLY A 93 9.237 13.267 -10.581 1.00 1.62 H new ATOM 631 N ALA A 94 6.842 12.041 -9.345 1.00 1.40 N ATOM 632 CA ALA A 94 6.224 10.960 -8.591 1.00 1.40 C ATOM 633 C ALA A 94 4.706 11.043 -8.657 1.00 1.27 C ATOM 634 O ALA A 94 4.046 10.143 -9.184 1.00 1.38 O ATOM 635 CB ALA A 94 6.695 10.975 -7.148 1.00 1.41 C ATOM 0 H ALA A 94 6.550 12.977 -9.065 1.00 1.40 H new ATOM 0 HA ALA A 94 6.531 10.018 -9.045 1.00 1.40 H new ATOM 0 HB1 ALA A 94 6.221 10.159 -6.602 1.00 1.41 H new ATOM 0 HB2 ALA A 94 7.778 10.852 -7.117 1.00 1.41 H new ATOM 0 HB3 ALA A 94 6.425 11.925 -6.687 1.00 1.41 H new ATOM 641 N GLY A 95 4.158 12.128 -8.137 1.00 1.09 N ATOM 642 CA GLY A 95 2.724 12.304 -8.123 1.00 1.02 C ATOM 643 C GLY A 95 2.173 12.326 -6.719 1.00 0.91 C ATOM 644 O GLY A 95 2.443 13.246 -5.953 1.00 1.02 O ATOM 0 H GLY A 95 4.686 12.895 -7.721 1.00 1.09 H new ATOM 0 HA2 GLY A 95 2.468 13.235 -8.628 1.00 1.02 H new ATOM 0 HA3 GLY A 95 2.254 11.497 -8.685 1.00 1.02 H new ATOM 648 N LEU A 96 1.393 11.317 -6.392 1.00 0.79 N ATOM 649 CA LEU A 96 0.855 11.158 -5.048 1.00 0.70 C ATOM 650 C LEU A 96 1.891 10.519 -4.124 1.00 0.65 C ATOM 651 O LEU A 96 2.848 9.905 -4.593 1.00 0.99 O ATOM 652 CB LEU A 96 -0.445 10.334 -5.077 1.00 0.77 C ATOM 653 CG LEU A 96 -0.515 9.219 -6.131 1.00 1.35 C ATOM 654 CD1 LEU A 96 0.459 8.099 -5.813 1.00 2.05 C ATOM 655 CD2 LEU A 96 -1.932 8.678 -6.234 1.00 2.31 C ATOM 0 H LEU A 96 1.112 10.584 -7.044 1.00 0.79 H new ATOM 0 HA LEU A 96 0.618 12.146 -4.654 1.00 0.70 H new ATOM 0 HB2 LEU A 96 -0.589 9.886 -4.094 1.00 0.77 H new ATOM 0 HB3 LEU A 96 -1.279 11.015 -5.243 1.00 0.77 H new ATOM 0 HG LEU A 96 -0.231 9.646 -7.093 1.00 1.35 H new ATOM 0 HD11 LEU A 96 0.386 7.325 -6.577 1.00 2.05 H new ATOM 0 HD12 LEU A 96 1.475 8.495 -5.793 1.00 2.05 H new ATOM 0 HD13 LEU A 96 0.217 7.672 -4.840 1.00 2.05 H new ATOM 0 HD21 LEU A 96 -1.966 7.889 -6.985 1.00 2.31 H new ATOM 0 HD22 LEU A 96 -2.238 8.275 -5.269 1.00 2.31 H new ATOM 0 HD23 LEU A 96 -2.609 9.483 -6.522 1.00 2.31 H new ATOM 667 N GLY A 97 1.718 10.695 -2.820 1.00 0.59 N ATOM 668 CA GLY A 97 2.635 10.102 -1.867 1.00 0.57 C ATOM 669 C GLY A 97 2.204 10.344 -0.434 1.00 0.52 C ATOM 670 O GLY A 97 1.159 10.954 -0.187 1.00 0.55 O ATOM 0 H GLY A 97 0.960 11.237 -2.406 1.00 0.59 H new ATOM 0 HA2 GLY A 97 2.702 9.029 -2.049 1.00 0.57 H new ATOM 0 HA3 GLY A 97 3.632 10.514 -2.020 1.00 0.57 H new ATOM 674 N VAL A 98 2.995 9.850 0.512 1.00 0.48 N ATOM 675 CA VAL A 98 2.743 10.097 1.924 1.00 0.46 C ATOM 676 C VAL A 98 3.888 10.912 2.521 1.00 0.47 C ATOM 677 O VAL A 98 5.030 10.459 2.599 1.00 0.67 O ATOM 678 CB VAL A 98 2.522 8.793 2.729 1.00 0.47 C ATOM 679 CG1 VAL A 98 1.257 8.089 2.264 1.00 0.49 C ATOM 680 CG2 VAL A 98 3.716 7.856 2.620 1.00 0.53 C ATOM 0 H VAL A 98 3.817 9.276 0.325 1.00 0.48 H new ATOM 0 HA VAL A 98 1.816 10.665 1.994 1.00 0.46 H new ATOM 0 HB VAL A 98 2.410 9.069 3.777 1.00 0.47 H new ATOM 0 HG11 VAL A 98 1.117 7.174 2.840 1.00 0.49 H new ATOM 0 HG12 VAL A 98 0.400 8.746 2.412 1.00 0.49 H new ATOM 0 HG13 VAL A 98 1.346 7.841 1.206 1.00 0.49 H new ATOM 0 HG21 VAL A 98 3.523 6.952 3.198 1.00 0.53 H new ATOM 0 HG22 VAL A 98 3.876 7.591 1.575 1.00 0.53 H new ATOM 0 HG23 VAL A 98 4.605 8.353 3.009 1.00 0.53 H new ATOM 690 N TRP A 99 3.569 12.122 2.932 1.00 0.38 N ATOM 691 CA TRP A 99 4.573 13.092 3.330 1.00 0.39 C ATOM 692 C TRP A 99 4.999 12.874 4.777 1.00 0.35 C ATOM 693 O TRP A 99 4.174 12.922 5.689 1.00 0.38 O ATOM 694 CB TRP A 99 4.016 14.504 3.144 1.00 0.44 C ATOM 695 CG TRP A 99 3.376 14.708 1.801 1.00 0.50 C ATOM 696 CD1 TRP A 99 2.090 14.402 1.455 1.00 0.66 C ATOM 697 CD2 TRP A 99 3.989 15.247 0.625 1.00 0.62 C ATOM 698 NE1 TRP A 99 1.868 14.715 0.137 1.00 0.69 N ATOM 699 CE2 TRP A 99 3.018 15.236 -0.394 1.00 0.66 C ATOM 700 CE3 TRP A 99 5.263 15.737 0.334 1.00 0.88 C ATOM 701 CZ2 TRP A 99 3.283 15.697 -1.680 1.00 0.82 C ATOM 702 CZ3 TRP A 99 5.525 16.195 -0.943 1.00 1.13 C ATOM 703 CH2 TRP A 99 4.539 16.172 -1.935 1.00 1.06 C ATOM 0 H TRP A 99 2.610 12.462 3.000 1.00 0.38 H new ATOM 0 HA TRP A 99 5.454 12.965 2.701 1.00 0.39 H new ATOM 0 HB2 TRP A 99 3.282 14.705 3.925 1.00 0.44 H new ATOM 0 HB3 TRP A 99 4.822 15.227 3.270 1.00 0.44 H new ATOM 0 HD1 TRP A 99 1.355 13.976 2.122 1.00 0.66 H new ATOM 0 HE1 TRP A 99 0.990 14.581 -0.365 1.00 0.69 H new ATOM 0 HE3 TRP A 99 6.031 15.758 1.094 1.00 0.88 H new ATOM 0 HZ2 TRP A 99 2.524 15.680 -2.448 1.00 0.82 H new ATOM 0 HZ3 TRP A 99 6.507 16.577 -1.179 1.00 1.13 H new ATOM 0 HH2 TRP A 99 4.775 16.537 -2.923 1.00 1.06 H new ATOM 714 N ALA A 100 6.285 12.611 4.977 1.00 0.39 N ATOM 715 CA ALA A 100 6.833 12.445 6.316 1.00 0.42 C ATOM 716 C ALA A 100 6.771 13.761 7.082 1.00 0.43 C ATOM 717 O ALA A 100 7.315 14.772 6.635 1.00 0.49 O ATOM 718 CB ALA A 100 8.268 11.932 6.244 1.00 0.54 C ATOM 0 H ALA A 100 6.968 12.508 4.227 1.00 0.39 H new ATOM 0 HA ALA A 100 6.232 11.708 6.849 1.00 0.42 H new ATOM 0 HB1 ALA A 100 8.663 11.813 7.253 1.00 0.54 H new ATOM 0 HB2 ALA A 100 8.285 10.970 5.732 1.00 0.54 H new ATOM 0 HB3 ALA A 100 8.882 12.646 5.695 1.00 0.54 H new ATOM 724 N LYS A 101 6.089 13.755 8.225 1.00 0.47 N ATOM 725 CA LYS A 101 5.939 14.961 9.029 1.00 0.57 C ATOM 726 C LYS A 101 7.069 15.063 10.043 1.00 0.56 C ATOM 727 O LYS A 101 7.233 16.083 10.714 1.00 0.63 O ATOM 728 CB LYS A 101 4.589 14.963 9.742 1.00 0.69 C ATOM 729 CG LYS A 101 3.420 14.681 8.816 1.00 1.17 C ATOM 730 CD LYS A 101 2.941 13.247 8.954 1.00 0.84 C ATOM 731 CE LYS A 101 2.135 13.060 10.219 1.00 0.88 C ATOM 732 NZ LYS A 101 1.324 11.812 10.195 1.00 1.68 N ATOM 0 H LYS A 101 5.633 12.929 8.613 1.00 0.47 H new ATOM 0 HA LYS A 101 5.983 15.826 8.367 1.00 0.57 H new ATOM 0 HB2 LYS A 101 4.604 14.215 10.535 1.00 0.69 H new ATOM 0 HB3 LYS A 101 4.440 15.931 10.220 1.00 0.69 H new ATOM 0 HG2 LYS A 101 2.601 15.364 9.042 1.00 1.17 H new ATOM 0 HG3 LYS A 101 3.717 14.870 7.784 1.00 1.17 H new ATOM 0 HD2 LYS A 101 2.334 12.979 8.090 1.00 0.84 H new ATOM 0 HD3 LYS A 101 3.798 12.574 8.963 1.00 0.84 H new ATOM 0 HE2 LYS A 101 2.809 13.036 11.076 1.00 0.88 H new ATOM 0 HE3 LYS A 101 1.475 13.917 10.356 1.00 0.88 H new ATOM 0 HZ1 LYS A 101 1.123 11.510 11.170 1.00 1.68 H new ATOM 0 HZ2 LYS A 101 0.429 11.989 9.696 1.00 1.68 H new ATOM 0 HZ3 LYS A 101 1.853 11.064 9.703 1.00 1.68 H new ATOM 746 N ARG A 102 7.838 13.995 10.140 1.00 0.54 N ATOM 747 CA ARG A 102 8.996 13.943 11.014 1.00 0.58 C ATOM 748 C ARG A 102 10.153 13.313 10.253 1.00 0.54 C ATOM 749 O ARG A 102 9.933 12.594 9.277 1.00 0.54 O ATOM 750 CB ARG A 102 8.687 13.126 12.278 1.00 0.72 C ATOM 751 CG ARG A 102 9.860 13.041 13.244 1.00 0.83 C ATOM 752 CD ARG A 102 9.564 12.140 14.430 1.00 1.16 C ATOM 753 NE ARG A 102 9.190 10.787 14.022 1.00 1.80 N ATOM 754 CZ ARG A 102 9.978 9.714 14.131 1.00 2.52 C ATOM 755 NH1 ARG A 102 11.217 9.830 14.602 1.00 2.75 N ATOM 756 NH2 ARG A 102 9.515 8.518 13.776 1.00 3.50 N ATOM 0 H ARG A 102 7.677 13.136 9.614 1.00 0.54 H new ATOM 0 HA ARG A 102 9.261 14.954 11.325 1.00 0.58 H new ATOM 0 HB2 ARG A 102 7.835 13.572 12.791 1.00 0.72 H new ATOM 0 HB3 ARG A 102 8.392 12.118 11.987 1.00 0.72 H new ATOM 0 HG2 ARG A 102 10.737 12.667 12.716 1.00 0.83 H new ATOM 0 HG3 ARG A 102 10.106 14.041 13.602 1.00 0.83 H new ATOM 0 HD2 ARG A 102 10.442 12.093 15.075 1.00 1.16 H new ATOM 0 HD3 ARG A 102 8.757 12.575 15.021 1.00 1.16 H new ATOM 0 HE ARG A 102 8.260 10.653 13.625 1.00 1.80 H new ATOM 0 HH11 ARG A 102 11.572 10.744 14.883 1.00 2.75 H new ATOM 0 HH12 ARG A 102 11.812 9.005 14.682 1.00 2.75 H new ATOM 0 HH21 ARG A 102 8.563 8.424 13.423 1.00 3.50 H new ATOM 0 HH22 ARG A 102 10.112 7.695 13.857 1.00 3.50 H new ATOM 770 N LYS A 103 11.374 13.587 10.687 1.00 0.59 N ATOM 771 CA LYS A 103 12.542 13.041 10.042 1.00 0.63 C ATOM 772 C LYS A 103 12.764 11.601 10.479 1.00 0.68 C ATOM 773 O LYS A 103 12.244 11.164 11.508 1.00 0.82 O ATOM 774 CB LYS A 103 13.767 13.916 10.345 1.00 0.73 C ATOM 775 CG LYS A 103 13.864 14.407 11.785 1.00 0.98 C ATOM 776 CD LYS A 103 13.914 13.268 12.784 1.00 1.17 C ATOM 777 CE LYS A 103 15.253 12.539 12.757 1.00 2.05 C ATOM 778 NZ LYS A 103 16.384 13.421 13.148 1.00 2.40 N ATOM 0 H LYS A 103 11.574 14.187 11.487 1.00 0.59 H new ATOM 0 HA LYS A 103 12.387 13.039 8.963 1.00 0.63 H new ATOM 0 HB2 LYS A 103 14.668 13.350 10.108 1.00 0.73 H new ATOM 0 HB3 LYS A 103 13.751 14.781 9.682 1.00 0.73 H new ATOM 0 HG2 LYS A 103 14.756 15.023 11.896 1.00 0.98 H new ATOM 0 HG3 LYS A 103 13.007 15.044 12.007 1.00 0.98 H new ATOM 0 HD2 LYS A 103 13.734 13.657 13.786 1.00 1.17 H new ATOM 0 HD3 LYS A 103 13.113 12.561 12.568 1.00 1.17 H new ATOM 0 HE2 LYS A 103 15.212 11.684 13.432 1.00 2.05 H new ATOM 0 HE3 LYS A 103 15.430 12.147 11.756 1.00 2.05 H new ATOM 0 HZ1 LYS A 103 17.204 12.838 13.411 1.00 2.40 H new ATOM 0 HZ2 LYS A 103 16.638 14.035 12.348 1.00 2.40 H new ATOM 0 HZ3 LYS A 103 16.102 14.008 13.959 1.00 2.40 H new ATOM 792 N MET A 104 13.513 10.870 9.690 1.00 0.73 N ATOM 793 CA MET A 104 13.855 9.501 10.019 1.00 0.83 C ATOM 794 C MET A 104 15.350 9.315 9.901 1.00 0.87 C ATOM 795 O MET A 104 15.975 9.897 9.023 1.00 0.93 O ATOM 796 CB MET A 104 13.121 8.527 9.100 1.00 0.85 C ATOM 797 CG MET A 104 11.650 8.371 9.434 1.00 0.97 C ATOM 798 SD MET A 104 10.764 7.409 8.197 1.00 1.22 S ATOM 799 CE MET A 104 10.955 8.480 6.773 1.00 0.92 C ATOM 0 H MET A 104 13.902 11.201 8.807 1.00 0.73 H new ATOM 0 HA MET A 104 13.547 9.293 11.044 1.00 0.83 H new ATOM 0 HB2 MET A 104 13.217 8.870 8.070 1.00 0.85 H new ATOM 0 HB3 MET A 104 13.604 7.552 9.158 1.00 0.85 H new ATOM 0 HG2 MET A 104 11.550 7.888 10.406 1.00 0.97 H new ATOM 0 HG3 MET A 104 11.193 9.357 9.519 1.00 0.97 H new ATOM 0 HE1 MET A 104 9.973 8.727 6.369 1.00 0.92 H new ATOM 0 HE2 MET A 104 11.465 9.396 7.072 1.00 0.92 H new ATOM 0 HE3 MET A 104 11.543 7.970 6.010 1.00 0.92 H new ATOM 809 N GLU A 105 15.920 8.538 10.801 1.00 0.90 N ATOM 810 CA GLU A 105 17.346 8.273 10.781 1.00 0.93 C ATOM 811 C GLU A 105 17.602 6.865 10.271 1.00 0.89 C ATOM 812 O GLU A 105 16.867 5.934 10.611 1.00 1.13 O ATOM 813 CB GLU A 105 17.940 8.471 12.178 1.00 1.08 C ATOM 814 CG GLU A 105 17.240 7.678 13.269 1.00 1.64 C ATOM 815 CD GLU A 105 17.722 8.047 14.656 1.00 1.94 C ATOM 816 OE1 GLU A 105 17.158 8.987 15.252 1.00 2.25 O ATOM 817 OE2 GLU A 105 18.666 7.406 15.158 1.00 2.31 O ATOM 0 H GLU A 105 15.415 8.077 11.558 1.00 0.90 H new ATOM 0 HA GLU A 105 17.834 8.976 10.106 1.00 0.93 H new ATOM 0 HB2 GLU A 105 18.992 8.188 12.157 1.00 1.08 H new ATOM 0 HB3 GLU A 105 17.900 9.530 12.431 1.00 1.08 H new ATOM 0 HG2 GLU A 105 16.165 7.848 13.204 1.00 1.64 H new ATOM 0 HG3 GLU A 105 17.405 6.614 13.102 1.00 1.64 H new ATOM 824 N ALA A 106 18.658 6.731 9.465 1.00 0.78 N ATOM 825 CA ALA A 106 18.979 5.490 8.760 1.00 0.78 C ATOM 826 C ALA A 106 18.792 4.258 9.635 1.00 0.76 C ATOM 827 O ALA A 106 19.322 4.178 10.750 1.00 0.78 O ATOM 828 CB ALA A 106 20.404 5.545 8.233 1.00 0.84 C ATOM 0 H ALA A 106 19.318 7.487 9.283 1.00 0.78 H new ATOM 0 HA ALA A 106 18.281 5.402 7.927 1.00 0.78 H new ATOM 0 HB1 ALA A 106 20.634 4.617 7.710 1.00 0.84 H new ATOM 0 HB2 ALA A 106 20.505 6.384 7.545 1.00 0.84 H new ATOM 0 HB3 ALA A 106 21.095 5.673 9.066 1.00 0.84 H new ATOM 834 N GLY A 107 18.044 3.296 9.115 1.00 0.83 N ATOM 835 CA GLY A 107 17.738 2.095 9.861 1.00 0.91 C ATOM 836 C GLY A 107 16.251 1.949 10.100 1.00 0.87 C ATOM 837 O GLY A 107 15.815 1.074 10.851 1.00 1.04 O ATOM 0 H GLY A 107 17.640 3.328 8.179 1.00 0.83 H new ATOM 0 HA2 GLY A 107 18.106 1.225 9.317 1.00 0.91 H new ATOM 0 HA3 GLY A 107 18.260 2.118 10.818 1.00 0.91 H new ATOM 841 N GLU A 108 15.477 2.820 9.472 1.00 0.71 N ATOM 842 CA GLU A 108 14.031 2.819 9.612 1.00 0.74 C ATOM 843 C GLU A 108 13.378 1.853 8.623 1.00 0.61 C ATOM 844 O GLU A 108 14.003 1.414 7.654 1.00 0.61 O ATOM 845 CB GLU A 108 13.468 4.231 9.405 1.00 0.87 C ATOM 846 CG GLU A 108 13.754 4.829 8.033 1.00 0.85 C ATOM 847 CD GLU A 108 15.171 5.355 7.880 1.00 1.78 C ATOM 848 OE1 GLU A 108 16.087 4.548 7.600 1.00 2.62 O ATOM 849 OE2 GLU A 108 15.365 6.573 8.033 1.00 2.13 O ATOM 0 H GLU A 108 15.834 3.547 8.852 1.00 0.71 H new ATOM 0 HA GLU A 108 13.799 2.486 10.624 1.00 0.74 H new ATOM 0 HB2 GLU A 108 12.389 4.205 9.558 1.00 0.87 H new ATOM 0 HB3 GLU A 108 13.883 4.890 10.168 1.00 0.87 H new ATOM 0 HG2 GLU A 108 13.573 4.071 7.271 1.00 0.85 H new ATOM 0 HG3 GLU A 108 13.052 5.642 7.847 1.00 0.85 H new ATOM 856 N ARG A 109 12.118 1.521 8.874 1.00 0.63 N ATOM 857 CA ARG A 109 11.368 0.628 8.006 1.00 0.56 C ATOM 858 C ARG A 109 9.905 1.050 7.981 1.00 0.46 C ATOM 859 O ARG A 109 9.329 1.348 9.027 1.00 0.55 O ATOM 860 CB ARG A 109 11.477 -0.804 8.523 1.00 0.73 C ATOM 861 CG ARG A 109 11.214 -1.867 7.470 1.00 0.80 C ATOM 862 CD ARG A 109 12.361 -1.959 6.476 1.00 1.22 C ATOM 863 NE ARG A 109 13.643 -2.194 7.142 1.00 2.02 N ATOM 864 CZ ARG A 109 14.606 -2.984 6.667 1.00 2.71 C ATOM 865 NH1 ARG A 109 14.442 -3.631 5.522 1.00 2.91 N ATOM 866 NH2 ARG A 109 15.740 -3.124 7.337 1.00 3.62 N ATOM 0 H ARG A 109 11.592 1.861 9.679 1.00 0.63 H new ATOM 0 HA ARG A 109 11.778 0.679 6.997 1.00 0.56 H new ATOM 0 HB2 ARG A 109 12.475 -0.955 8.934 1.00 0.73 H new ATOM 0 HB3 ARG A 109 10.771 -0.937 9.342 1.00 0.73 H new ATOM 0 HG2 ARG A 109 11.072 -2.833 7.954 1.00 0.80 H new ATOM 0 HG3 ARG A 109 10.289 -1.636 6.941 1.00 0.80 H new ATOM 0 HD2 ARG A 109 12.166 -2.766 5.770 1.00 1.22 H new ATOM 0 HD3 ARG A 109 12.416 -1.036 5.898 1.00 1.22 H new ATOM 0 HE ARG A 109 13.811 -1.721 8.030 1.00 2.02 H new ATOM 0 HH11 ARG A 109 13.574 -3.526 4.997 1.00 2.91 H new ATOM 0 HH12 ARG A 109 15.184 -4.233 5.166 1.00 2.91 H new ATOM 0 HH21 ARG A 109 15.877 -2.627 8.217 1.00 3.62 H new ATOM 0 HH22 ARG A 109 16.476 -3.729 6.973 1.00 3.62 H new ATOM 880 N LEU A 110 9.303 1.086 6.800 1.00 0.38 N ATOM 881 CA LEU A 110 7.894 1.443 6.693 1.00 0.39 C ATOM 882 C LEU A 110 7.054 0.185 6.511 1.00 0.49 C ATOM 883 O LEU A 110 7.476 -0.760 5.837 1.00 0.53 O ATOM 884 CB LEU A 110 7.621 2.392 5.515 1.00 0.35 C ATOM 885 CG LEU A 110 8.554 3.594 5.345 1.00 0.35 C ATOM 886 CD1 LEU A 110 7.851 4.677 4.534 1.00 0.39 C ATOM 887 CD2 LEU A 110 9.009 4.138 6.691 1.00 0.41 C ATOM 0 H LEU A 110 9.760 0.875 5.913 1.00 0.38 H new ATOM 0 HA LEU A 110 7.624 1.958 7.615 1.00 0.39 H new ATOM 0 HB2 LEU A 110 7.656 1.806 4.596 1.00 0.35 H new ATOM 0 HB3 LEU A 110 6.603 2.768 5.615 1.00 0.35 H new ATOM 0 HG LEU A 110 9.445 3.267 4.809 1.00 0.35 H new ATOM 0 HD11 LEU A 110 8.517 5.532 4.414 1.00 0.39 H new ATOM 0 HD12 LEU A 110 7.586 4.283 3.553 1.00 0.39 H new ATOM 0 HD13 LEU A 110 6.947 4.992 5.054 1.00 0.39 H new ATOM 0 HD21 LEU A 110 9.670 4.990 6.534 1.00 0.41 H new ATOM 0 HD22 LEU A 110 8.140 4.454 7.268 1.00 0.41 H new ATOM 0 HD23 LEU A 110 9.543 3.360 7.236 1.00 0.41 H new ATOM 899 N GLY A 111 5.874 0.178 7.111 1.00 0.61 N ATOM 900 CA GLY A 111 4.964 -0.935 6.939 1.00 0.77 C ATOM 901 C GLY A 111 4.539 -1.541 8.261 1.00 0.88 C ATOM 902 O GLY A 111 4.249 -0.809 9.209 1.00 1.02 O ATOM 0 H GLY A 111 5.530 0.924 7.715 1.00 0.61 H new ATOM 0 HA2 GLY A 111 4.081 -0.599 6.396 1.00 0.77 H new ATOM 0 HA3 GLY A 111 5.442 -1.701 6.328 1.00 0.77 H new ATOM 906 N PRO A 112 4.514 -2.879 8.375 1.00 1.23 N ATOM 907 CA PRO A 112 4.924 -3.788 7.297 1.00 1.24 C ATOM 908 C PRO A 112 3.883 -3.886 6.182 1.00 1.05 C ATOM 909 O PRO A 112 2.684 -3.746 6.419 1.00 1.19 O ATOM 910 CB PRO A 112 5.063 -5.132 8.012 1.00 1.78 C ATOM 911 CG PRO A 112 4.106 -5.056 9.150 1.00 2.10 C ATOM 912 CD PRO A 112 4.076 -3.613 9.578 1.00 1.83 C ATOM 0 HA PRO A 112 5.834 -3.448 6.802 1.00 1.24 H new ATOM 0 HB2 PRO A 112 4.822 -5.961 7.347 1.00 1.78 H new ATOM 0 HB3 PRO A 112 6.083 -5.290 8.362 1.00 1.78 H new ATOM 0 HG2 PRO A 112 3.114 -5.393 8.848 1.00 2.10 H new ATOM 0 HG3 PRO A 112 4.425 -5.699 9.970 1.00 2.10 H new ATOM 0 HD2 PRO A 112 3.077 -3.309 9.890 1.00 1.83 H new ATOM 0 HD3 PRO A 112 4.742 -3.432 10.422 1.00 1.83 H new ATOM 920 N CYS A 113 4.353 -4.124 4.966 1.00 1.00 N ATOM 921 CA CYS A 113 3.470 -4.294 3.837 1.00 1.00 C ATOM 922 C CYS A 113 3.231 -5.776 3.627 1.00 1.17 C ATOM 923 O CYS A 113 4.095 -6.601 3.938 1.00 1.67 O ATOM 924 CB CYS A 113 4.062 -3.657 2.582 1.00 1.05 C ATOM 925 SG CYS A 113 2.920 -3.568 1.185 1.00 2.00 S ATOM 0 H CYS A 113 5.345 -4.203 4.743 1.00 1.00 H new ATOM 0 HA CYS A 113 2.522 -3.795 4.038 1.00 1.00 H new ATOM 0 HB2 CYS A 113 4.400 -2.650 2.825 1.00 1.05 H new ATOM 0 HB3 CYS A 113 4.942 -4.225 2.281 1.00 1.05 H new ATOM 0 HG CYS A 113 2.103 -2.572 1.356 1.00 2.00 H new ATOM 1692 N GLY A 166 0.259 -1.634 5.647 1.00 1.30 N ATOM 1693 CA GLY A 166 1.253 -1.296 4.650 1.00 1.24 C ATOM 1694 C GLY A 166 0.657 -1.090 3.276 1.00 1.03 C ATOM 1695 O GLY A 166 1.364 -1.144 2.271 1.00 1.05 O ATOM 0 HA2 GLY A 166 1.773 -0.388 4.955 1.00 1.24 H new ATOM 0 HA3 GLY A 166 1.998 -2.090 4.603 1.00 1.24 H new ATOM 1699 N SER A 167 -0.644 -0.845 3.225 1.00 0.98 N ATOM 1700 CA SER A 167 -1.323 -0.627 1.956 1.00 0.99 C ATOM 1701 C SER A 167 -1.086 0.799 1.462 1.00 0.78 C ATOM 1702 O SER A 167 -1.062 1.059 0.262 1.00 0.86 O ATOM 1703 CB SER A 167 -2.820 -0.892 2.114 1.00 1.17 C ATOM 1704 OG SER A 167 -3.051 -2.170 2.684 1.00 1.82 O ATOM 0 H SER A 167 -1.249 -0.792 4.044 1.00 0.98 H new ATOM 0 HA SER A 167 -0.918 -1.319 1.217 1.00 0.99 H new ATOM 0 HB2 SER A 167 -3.265 -0.122 2.745 1.00 1.17 H new ATOM 0 HB3 SER A 167 -3.309 -0.829 1.142 1.00 1.17 H new ATOM 0 HG SER A 167 -4.015 -2.317 2.777 1.00 1.82 H new ATOM 1710 N TRP A 168 -0.881 1.710 2.408 1.00 0.62 N ATOM 1711 CA TRP A 168 -0.633 3.125 2.113 1.00 0.51 C ATOM 1712 C TRP A 168 0.680 3.313 1.365 1.00 0.42 C ATOM 1713 O TRP A 168 0.925 4.349 0.746 1.00 0.43 O ATOM 1714 CB TRP A 168 -0.594 3.916 3.420 1.00 0.56 C ATOM 1715 CG TRP A 168 0.353 3.337 4.432 1.00 0.55 C ATOM 1716 CD1 TRP A 168 0.109 2.285 5.266 1.00 0.69 C ATOM 1717 CD2 TRP A 168 1.689 3.774 4.719 1.00 0.49 C ATOM 1718 NE1 TRP A 168 1.212 2.030 6.036 1.00 0.70 N ATOM 1719 CE2 TRP A 168 2.193 2.929 5.724 1.00 0.56 C ATOM 1720 CE3 TRP A 168 2.509 4.791 4.224 1.00 0.49 C ATOM 1721 CZ2 TRP A 168 3.476 3.067 6.242 1.00 0.55 C ATOM 1722 CZ3 TRP A 168 3.784 4.928 4.741 1.00 0.51 C ATOM 1723 CH2 TRP A 168 4.257 4.071 5.742 1.00 0.50 C ATOM 0 H TRP A 168 -0.881 1.492 3.404 1.00 0.62 H new ATOM 0 HA TRP A 168 -1.441 3.489 1.478 1.00 0.51 H new ATOM 0 HB2 TRP A 168 -0.303 4.945 3.206 1.00 0.56 H new ATOM 0 HB3 TRP A 168 -1.596 3.950 3.847 1.00 0.56 H new ATOM 0 HD1 TRP A 168 -0.819 1.734 5.312 1.00 0.69 H new ATOM 0 HE1 TRP A 168 1.289 1.288 6.731 1.00 0.70 H new ATOM 0 HE3 TRP A 168 2.154 5.458 3.452 1.00 0.49 H new ATOM 0 HZ2 TRP A 168 3.842 2.404 7.012 1.00 0.55 H new ATOM 0 HZ3 TRP A 168 4.427 5.710 4.366 1.00 0.51 H new ATOM 0 HH2 TRP A 168 5.257 4.206 6.126 1.00 0.50 H new ATOM 1734 N LEU A 169 1.514 2.293 1.428 1.00 0.41 N ATOM 1735 CA LEU A 169 2.847 2.331 0.851 1.00 0.38 C ATOM 1736 C LEU A 169 2.809 2.363 -0.677 1.00 0.39 C ATOM 1737 O LEU A 169 3.812 2.672 -1.321 1.00 0.41 O ATOM 1738 CB LEU A 169 3.636 1.128 1.358 1.00 0.44 C ATOM 1739 CG LEU A 169 4.060 1.219 2.825 1.00 0.46 C ATOM 1740 CD1 LEU A 169 4.524 -0.133 3.338 1.00 0.66 C ATOM 1741 CD2 LEU A 169 5.159 2.250 2.990 1.00 0.55 C ATOM 0 H LEU A 169 1.286 1.409 1.883 1.00 0.41 H new ATOM 0 HA LEU A 169 3.340 3.251 1.164 1.00 0.38 H new ATOM 0 HB2 LEU A 169 3.032 0.231 1.223 1.00 0.44 H new ATOM 0 HB3 LEU A 169 4.527 1.009 0.742 1.00 0.44 H new ATOM 0 HG LEU A 169 3.196 1.528 3.413 1.00 0.46 H new ATOM 0 HD11 LEU A 169 4.820 -0.043 4.383 1.00 0.66 H new ATOM 0 HD12 LEU A 169 3.711 -0.853 3.252 1.00 0.66 H new ATOM 0 HD13 LEU A 169 5.374 -0.474 2.748 1.00 0.66 H new ATOM 0 HD21 LEU A 169 5.452 2.305 4.039 1.00 0.55 H new ATOM 0 HD22 LEU A 169 6.021 1.963 2.387 1.00 0.55 H new ATOM 0 HD23 LEU A 169 4.796 3.224 2.663 1.00 0.55 H new ATOM 1753 N LYS A 170 1.649 2.062 -1.253 1.00 0.44 N ATOM 1754 CA LYS A 170 1.491 2.088 -2.707 1.00 0.52 C ATOM 1755 C LYS A 170 1.540 3.520 -3.243 1.00 0.50 C ATOM 1756 O LYS A 170 1.661 3.736 -4.453 1.00 0.61 O ATOM 1757 CB LYS A 170 0.174 1.400 -3.121 1.00 0.66 C ATOM 1758 CG LYS A 170 -1.104 2.072 -2.606 1.00 0.74 C ATOM 1759 CD LYS A 170 -1.535 3.259 -3.466 1.00 0.83 C ATOM 1760 CE LYS A 170 -1.966 2.828 -4.858 1.00 1.15 C ATOM 1761 NZ LYS A 170 -3.266 2.109 -4.842 1.00 1.48 N ATOM 0 H LYS A 170 0.808 1.798 -0.740 1.00 0.44 H new ATOM 0 HA LYS A 170 2.324 1.537 -3.145 1.00 0.52 H new ATOM 0 HB2 LYS A 170 0.131 1.359 -4.209 1.00 0.66 H new ATOM 0 HB3 LYS A 170 0.193 0.370 -2.764 1.00 0.66 H new ATOM 0 HG2 LYS A 170 -1.909 1.338 -2.578 1.00 0.74 H new ATOM 0 HG3 LYS A 170 -0.944 2.410 -1.582 1.00 0.74 H new ATOM 0 HD2 LYS A 170 -2.358 3.781 -2.977 1.00 0.83 H new ATOM 0 HD3 LYS A 170 -0.710 3.967 -3.545 1.00 0.83 H new ATOM 0 HE2 LYS A 170 -2.045 3.705 -5.501 1.00 1.15 H new ATOM 0 HE3 LYS A 170 -1.201 2.184 -5.291 1.00 1.15 H new ATOM 0 HZ1 LYS A 170 -3.572 1.923 -5.818 1.00 1.48 H new ATOM 0 HZ2 LYS A 170 -3.158 1.207 -4.335 1.00 1.48 H new ATOM 0 HZ3 LYS A 170 -3.980 2.693 -4.361 1.00 1.48 H new ATOM 1775 N TYR A 171 1.438 4.491 -2.340 1.00 0.45 N ATOM 1776 CA TYR A 171 1.414 5.894 -2.728 1.00 0.52 C ATOM 1777 C TYR A 171 2.805 6.418 -3.050 1.00 0.53 C ATOM 1778 O TYR A 171 2.970 7.201 -3.979 1.00 0.68 O ATOM 1779 CB TYR A 171 0.776 6.745 -1.629 1.00 0.56 C ATOM 1780 CG TYR A 171 -0.735 6.699 -1.624 1.00 0.85 C ATOM 1781 CD1 TYR A 171 -1.474 7.665 -2.296 1.00 1.12 C ATOM 1782 CD2 TYR A 171 -1.423 5.696 -0.956 1.00 1.03 C ATOM 1783 CE1 TYR A 171 -2.854 7.632 -2.300 1.00 1.44 C ATOM 1784 CE2 TYR A 171 -2.804 5.655 -0.955 1.00 1.42 C ATOM 1785 CZ TYR A 171 -3.514 6.625 -1.630 1.00 1.58 C ATOM 1786 OH TYR A 171 -4.890 6.591 -1.628 1.00 1.97 O ATOM 0 H TYR A 171 1.371 4.330 -1.335 1.00 0.45 H new ATOM 0 HA TYR A 171 0.812 5.967 -3.634 1.00 0.52 H new ATOM 0 HB2 TYR A 171 1.144 6.407 -0.660 1.00 0.56 H new ATOM 0 HB3 TYR A 171 1.099 7.779 -1.749 1.00 0.56 H new ATOM 0 HD1 TYR A 171 -0.960 8.455 -2.824 1.00 1.12 H new ATOM 0 HD2 TYR A 171 -0.869 4.934 -0.428 1.00 1.03 H new ATOM 0 HE1 TYR A 171 -3.414 8.392 -2.826 1.00 1.44 H new ATOM 0 HE2 TYR A 171 -3.324 4.868 -0.429 1.00 1.42 H new ATOM 0 HH TYR A 171 -5.197 5.817 -1.111 1.00 1.97 H new ATOM 1796 N ILE A 172 3.808 5.982 -2.299 1.00 0.43 N ATOM 1797 CA ILE A 172 5.172 6.439 -2.542 1.00 0.46 C ATOM 1798 C ILE A 172 5.699 5.848 -3.842 1.00 0.56 C ATOM 1799 O ILE A 172 5.654 4.635 -4.045 1.00 0.67 O ATOM 1800 CB ILE A 172 6.130 6.098 -1.375 1.00 0.42 C ATOM 1801 CG1 ILE A 172 5.406 5.287 -0.288 1.00 0.42 C ATOM 1802 CG2 ILE A 172 6.736 7.376 -0.809 1.00 0.57 C ATOM 1803 CD1 ILE A 172 6.060 5.338 1.081 1.00 0.54 C ATOM 0 H ILE A 172 3.707 5.322 -1.527 1.00 0.43 H new ATOM 0 HA ILE A 172 5.136 7.526 -2.620 1.00 0.46 H new ATOM 0 HB ILE A 172 6.940 5.476 -1.755 1.00 0.42 H new ATOM 0 HG12 ILE A 172 4.383 5.653 -0.201 1.00 0.42 H new ATOM 0 HG13 ILE A 172 5.346 4.247 -0.609 1.00 0.42 H new ATOM 0 HG21 ILE A 172 7.409 7.127 0.012 1.00 0.57 H new ATOM 0 HG22 ILE A 172 7.293 7.892 -1.591 1.00 0.57 H new ATOM 0 HG23 ILE A 172 5.940 8.024 -0.442 1.00 0.57 H new ATOM 0 HD11 ILE A 172 5.481 4.738 1.783 1.00 0.54 H new ATOM 0 HD12 ILE A 172 7.074 4.942 1.015 1.00 0.54 H new ATOM 0 HD13 ILE A 172 6.095 6.370 1.429 1.00 0.54 H new ATOM 1815 N ARG A 173 6.163 6.712 -4.734 1.00 0.71 N ATOM 1816 CA ARG A 173 6.614 6.273 -6.044 1.00 0.92 C ATOM 1817 C ARG A 173 8.092 6.572 -6.259 1.00 0.69 C ATOM 1818 O ARG A 173 8.826 6.803 -5.303 1.00 0.61 O ATOM 1819 CB ARG A 173 5.783 6.928 -7.146 1.00 1.38 C ATOM 1820 CG ARG A 173 4.332 6.494 -7.155 1.00 1.82 C ATOM 1821 CD ARG A 173 3.626 6.982 -8.406 1.00 2.22 C ATOM 1822 NE ARG A 173 4.304 6.534 -9.624 1.00 2.79 N ATOM 1823 CZ ARG A 173 3.832 5.592 -10.443 1.00 3.52 C ATOM 1824 NH1 ARG A 173 2.682 4.984 -10.170 1.00 3.84 N ATOM 1825 NH2 ARG A 173 4.515 5.253 -11.532 1.00 4.34 N ATOM 0 H ARG A 173 6.236 7.717 -4.574 1.00 0.71 H new ATOM 0 HA ARG A 173 6.479 5.192 -6.089 1.00 0.92 H new ATOM 0 HB2 ARG A 173 5.828 8.011 -7.028 1.00 1.38 H new ATOM 0 HB3 ARG A 173 6.229 6.694 -8.113 1.00 1.38 H new ATOM 0 HG2 ARG A 173 4.274 5.407 -7.101 1.00 1.82 H new ATOM 0 HG3 ARG A 173 3.826 6.885 -6.272 1.00 1.82 H new ATOM 0 HD2 ARG A 173 2.598 6.619 -8.408 1.00 2.22 H new ATOM 0 HD3 ARG A 173 3.580 8.071 -8.396 1.00 2.22 H new ATOM 0 HE ARG A 173 5.195 6.970 -9.862 1.00 2.79 H new ATOM 0 HH11 ARG A 173 2.158 5.237 -9.333 1.00 3.84 H new ATOM 0 HH12 ARG A 173 2.324 4.264 -10.798 1.00 3.84 H new ATOM 0 HH21 ARG A 173 5.401 5.713 -11.742 1.00 4.34 H new ATOM 0 HH22 ARG A 173 4.153 4.533 -12.157 1.00 4.34 H new ATOM 1839 N VAL A 174 8.514 6.564 -7.522 1.00 0.70 N ATOM 1840 CA VAL A 174 9.920 6.712 -7.877 1.00 0.63 C ATOM 1841 C VAL A 174 10.400 8.151 -7.654 1.00 0.55 C ATOM 1842 O VAL A 174 9.599 9.085 -7.621 1.00 0.62 O ATOM 1843 CB VAL A 174 10.158 6.286 -9.350 1.00 0.73 C ATOM 1844 CG1 VAL A 174 11.643 6.224 -9.679 1.00 0.98 C ATOM 1845 CG2 VAL A 174 9.506 4.941 -9.632 1.00 1.07 C ATOM 0 H VAL A 174 7.892 6.455 -8.323 1.00 0.70 H new ATOM 0 HA VAL A 174 10.499 6.058 -7.225 1.00 0.63 H new ATOM 0 HB VAL A 174 9.700 7.043 -9.987 1.00 0.73 H new ATOM 0 HG11 VAL A 174 11.773 5.923 -10.718 1.00 0.98 H new ATOM 0 HG12 VAL A 174 12.091 7.206 -9.527 1.00 0.98 H new ATOM 0 HG13 VAL A 174 12.130 5.499 -9.027 1.00 0.98 H new ATOM 0 HG21 VAL A 174 9.685 4.661 -10.670 1.00 1.07 H new ATOM 0 HG22 VAL A 174 9.933 4.185 -8.973 1.00 1.07 H new ATOM 0 HG23 VAL A 174 8.433 5.013 -9.455 1.00 1.07 H new ATOM 1855 N ALA A 175 11.714 8.306 -7.494 1.00 0.53 N ATOM 1856 CA ALA A 175 12.330 9.598 -7.198 1.00 0.57 C ATOM 1857 C ALA A 175 12.000 10.644 -8.248 1.00 0.52 C ATOM 1858 O ALA A 175 11.761 10.324 -9.417 1.00 0.57 O ATOM 1859 CB ALA A 175 13.835 9.448 -7.102 1.00 0.71 C ATOM 0 H ALA A 175 12.382 7.538 -7.566 1.00 0.53 H new ATOM 0 HA ALA A 175 11.923 9.935 -6.245 1.00 0.57 H new ATOM 0 HB1 ALA A 175 14.284 10.416 -6.881 1.00 0.71 H new ATOM 0 HB2 ALA A 175 14.081 8.744 -6.306 1.00 0.71 H new ATOM 0 HB3 ALA A 175 14.225 9.075 -8.049 1.00 0.71 H new ATOM 1865 N CYS A 176 12.023 11.898 -7.825 1.00 0.62 N ATOM 1866 CA CYS A 176 11.701 13.004 -8.706 1.00 0.69 C ATOM 1867 C CYS A 176 12.937 13.452 -9.483 1.00 0.68 C ATOM 1868 O CYS A 176 12.839 14.244 -10.422 1.00 0.84 O ATOM 1869 CB CYS A 176 11.119 14.166 -7.894 1.00 0.85 C ATOM 1870 SG CYS A 176 12.239 14.855 -6.657 1.00 1.88 S ATOM 0 H CYS A 176 12.263 12.174 -6.873 1.00 0.62 H new ATOM 0 HA CYS A 176 10.954 12.673 -9.427 1.00 0.69 H new ATOM 0 HB2 CYS A 176 10.825 14.960 -8.580 1.00 0.85 H new ATOM 0 HB3 CYS A 176 10.213 13.824 -7.394 1.00 0.85 H new ATOM 0 HG CYS A 176 12.481 13.961 -5.745 1.00 1.88 H new ATOM 1876 N SER A 177 14.100 12.941 -9.083 1.00 0.63 N ATOM 1877 CA SER A 177 15.357 13.257 -9.755 1.00 0.71 C ATOM 1878 C SER A 177 16.373 12.124 -9.571 1.00 0.65 C ATOM 1879 O SER A 177 16.144 11.205 -8.784 1.00 0.66 O ATOM 1880 CB SER A 177 15.938 14.569 -9.219 1.00 0.88 C ATOM 1881 OG SER A 177 15.010 15.632 -9.352 1.00 1.63 O ATOM 0 H SER A 177 14.197 12.303 -8.293 1.00 0.63 H new ATOM 0 HA SER A 177 15.150 13.370 -10.819 1.00 0.71 H new ATOM 0 HB2 SER A 177 16.209 14.448 -8.170 1.00 0.88 H new ATOM 0 HB3 SER A 177 16.853 14.812 -9.759 1.00 0.88 H new ATOM 0 HG SER A 177 15.405 16.457 -9.001 1.00 1.63 H new ATOM 1887 N CYS A 178 17.491 12.197 -10.285 1.00 0.71 N ATOM 1888 CA CYS A 178 18.530 11.177 -10.191 1.00 0.76 C ATOM 1889 C CYS A 178 19.269 11.274 -8.857 1.00 0.71 C ATOM 1890 O CYS A 178 19.521 10.268 -8.194 1.00 0.77 O ATOM 1891 CB CYS A 178 19.510 11.326 -11.356 1.00 1.00 C ATOM 1892 SG CYS A 178 20.169 12.999 -11.548 1.00 1.96 S ATOM 0 H CYS A 178 17.701 12.953 -10.936 1.00 0.71 H new ATOM 0 HA CYS A 178 18.059 10.195 -10.245 1.00 0.76 H new ATOM 0 HB2 CYS A 178 20.339 10.634 -11.211 1.00 1.00 H new ATOM 0 HB3 CYS A 178 19.009 11.035 -12.279 1.00 1.00 H new ATOM 0 HG CYS A 178 20.990 13.029 -12.556 1.00 1.96 H new ATOM 1898 N ASP A 179 19.583 12.497 -8.453 1.00 0.76 N ATOM 1899 CA ASP A 179 20.283 12.746 -7.193 1.00 0.88 C ATOM 1900 C ASP A 179 19.316 12.647 -6.018 1.00 0.82 C ATOM 1901 O ASP A 179 19.680 12.880 -4.868 1.00 0.99 O ATOM 1902 CB ASP A 179 20.935 14.133 -7.216 1.00 1.08 C ATOM 1903 CG ASP A 179 19.916 15.256 -7.293 1.00 1.81 C ATOM 1904 OD1 ASP A 179 19.280 15.416 -8.355 1.00 2.40 O ATOM 1905 OD2 ASP A 179 19.747 15.985 -6.289 1.00 2.42 O ATOM 0 H ASP A 179 19.363 13.341 -8.982 1.00 0.76 H new ATOM 0 HA ASP A 179 21.059 11.990 -7.073 1.00 0.88 H new ATOM 0 HB2 ASP A 179 21.543 14.260 -6.320 1.00 1.08 H new ATOM 0 HB3 ASP A 179 21.609 14.200 -8.070 1.00 1.08 H new ATOM 1910 N ASP A 180 18.083 12.283 -6.328 1.00 0.70 N ATOM 1911 CA ASP A 180 17.012 12.224 -5.346 1.00 0.75 C ATOM 1912 C ASP A 180 16.755 10.777 -4.921 1.00 0.60 C ATOM 1913 O ASP A 180 15.715 10.448 -4.353 1.00 0.64 O ATOM 1914 CB ASP A 180 15.751 12.869 -5.940 1.00 0.92 C ATOM 1915 CG ASP A 180 14.589 12.961 -4.972 1.00 1.41 C ATOM 1916 OD1 ASP A 180 13.472 12.521 -5.326 1.00 2.12 O ATOM 1917 OD2 ASP A 180 14.804 13.438 -3.838 1.00 1.55 O ATOM 0 H ASP A 180 17.795 12.019 -7.270 1.00 0.70 H new ATOM 0 HA ASP A 180 17.300 12.777 -4.452 1.00 0.75 H new ATOM 0 HB2 ASP A 180 15.999 13.871 -6.290 1.00 0.92 H new ATOM 0 HB3 ASP A 180 15.439 12.295 -6.812 1.00 0.92 H new ATOM 1922 N GLN A 181 17.709 9.898 -5.214 1.00 0.51 N ATOM 1923 CA GLN A 181 17.567 8.493 -4.854 1.00 0.46 C ATOM 1924 C GLN A 181 17.603 8.310 -3.341 1.00 0.46 C ATOM 1925 O GLN A 181 18.626 8.539 -2.697 1.00 0.56 O ATOM 1926 CB GLN A 181 18.678 7.645 -5.478 1.00 0.56 C ATOM 1927 CG GLN A 181 18.651 7.583 -6.995 1.00 0.62 C ATOM 1928 CD GLN A 181 17.402 6.917 -7.535 1.00 0.70 C ATOM 1929 OE1 GLN A 181 17.355 5.699 -7.706 1.00 1.35 O ATOM 1930 NE2 GLN A 181 16.384 7.709 -7.814 1.00 0.98 N ATOM 0 H GLN A 181 18.578 10.131 -5.694 1.00 0.51 H new ATOM 0 HA GLN A 181 16.602 8.163 -5.239 1.00 0.46 H new ATOM 0 HB2 GLN A 181 19.642 8.043 -5.161 1.00 0.56 H new ATOM 0 HB3 GLN A 181 18.607 6.631 -5.085 1.00 0.56 H new ATOM 0 HG2 GLN A 181 18.720 8.594 -7.396 1.00 0.62 H new ATOM 0 HG3 GLN A 181 19.528 7.040 -7.347 1.00 0.62 H new ATOM 0 HE21 GLN A 181 16.462 8.714 -7.658 1.00 0.98 H new ATOM 0 HE22 GLN A 181 15.519 7.316 -8.185 1.00 0.98 H new ATOM 1939 N ASN A 182 16.478 7.885 -2.794 1.00 0.40 N ATOM 1940 CA ASN A 182 16.380 7.519 -1.394 1.00 0.41 C ATOM 1941 C ASN A 182 15.294 6.455 -1.250 1.00 0.36 C ATOM 1942 O ASN A 182 14.593 6.367 -0.248 1.00 0.42 O ATOM 1943 CB ASN A 182 16.085 8.764 -0.532 1.00 0.49 C ATOM 1944 CG ASN A 182 16.075 8.463 0.951 1.00 0.99 C ATOM 1945 OD1 ASN A 182 17.115 8.366 1.593 1.00 1.68 O ATOM 1946 ND2 ASN A 182 14.890 8.344 1.503 1.00 0.93 N ATOM 0 H ASN A 182 15.604 7.784 -3.311 1.00 0.40 H new ATOM 0 HA ASN A 182 17.326 7.108 -1.040 1.00 0.41 H new ATOM 0 HB2 ASN A 182 16.834 9.528 -0.738 1.00 0.49 H new ATOM 0 HB3 ASN A 182 15.119 9.179 -0.820 1.00 0.49 H new ATOM 0 HD21 ASN A 182 14.809 8.164 2.504 1.00 0.93 H new ATOM 0 HD22 ASN A 182 14.050 8.432 0.931 1.00 0.93 H new ATOM 1953 N LEU A 183 15.179 5.620 -2.269 1.00 0.34 N ATOM 1954 CA LEU A 183 14.078 4.675 -2.351 1.00 0.35 C ATOM 1955 C LEU A 183 14.599 3.254 -2.495 1.00 0.36 C ATOM 1956 O LEU A 183 15.364 2.957 -3.411 1.00 0.39 O ATOM 1957 CB LEU A 183 13.167 5.008 -3.540 1.00 0.39 C ATOM 1958 CG LEU A 183 13.000 6.491 -3.858 1.00 0.46 C ATOM 1959 CD1 LEU A 183 14.145 6.998 -4.710 1.00 0.73 C ATOM 1960 CD2 LEU A 183 11.688 6.736 -4.568 1.00 0.81 C ATOM 0 H LEU A 183 15.834 5.577 -3.050 1.00 0.34 H new ATOM 0 HA LEU A 183 13.503 4.751 -1.428 1.00 0.35 H new ATOM 0 HB2 LEU A 183 13.561 4.509 -4.425 1.00 0.39 H new ATOM 0 HB3 LEU A 183 12.181 4.585 -3.347 1.00 0.39 H new ATOM 0 HG LEU A 183 13.003 7.036 -2.914 1.00 0.46 H new ATOM 0 HD11 LEU A 183 14.000 8.057 -4.921 1.00 0.73 H new ATOM 0 HD12 LEU A 183 15.085 6.860 -4.176 1.00 0.73 H new ATOM 0 HD13 LEU A 183 14.175 6.442 -5.647 1.00 0.73 H new ATOM 0 HD21 LEU A 183 11.586 7.799 -4.787 1.00 0.81 H new ATOM 0 HD22 LEU A 183 11.667 6.170 -5.499 1.00 0.81 H new ATOM 0 HD23 LEU A 183 10.864 6.416 -3.930 1.00 0.81 H new ATOM 1972 N THR A 184 14.202 2.383 -1.581 1.00 0.37 N ATOM 1973 CA THR A 184 14.578 0.982 -1.651 1.00 0.41 C ATOM 1974 C THR A 184 13.509 0.102 -1.005 1.00 0.41 C ATOM 1975 O THR A 184 13.094 0.335 0.132 1.00 0.45 O ATOM 1976 CB THR A 184 15.941 0.735 -0.969 1.00 0.45 C ATOM 1977 OG1 THR A 184 16.960 1.505 -1.626 1.00 0.51 O ATOM 1978 CG2 THR A 184 16.316 -0.737 -1.001 1.00 0.49 C ATOM 0 H THR A 184 13.618 2.624 -0.780 1.00 0.37 H new ATOM 0 HA THR A 184 14.666 0.718 -2.705 1.00 0.41 H new ATOM 0 HB THR A 184 15.858 1.044 0.073 1.00 0.45 H new ATOM 0 HG1 THR A 184 17.823 1.346 -1.189 1.00 0.51 H new ATOM 0 HG21 THR A 184 17.281 -0.877 -0.513 1.00 0.49 H new ATOM 0 HG22 THR A 184 15.556 -1.317 -0.477 1.00 0.49 H new ATOM 0 HG23 THR A 184 16.380 -1.074 -2.036 1.00 0.49 H new ATOM 1986 N MET A 185 13.048 -0.899 -1.737 1.00 0.49 N ATOM 1987 CA MET A 185 12.097 -1.857 -1.198 1.00 0.51 C ATOM 1988 C MET A 185 12.730 -3.235 -1.115 1.00 0.60 C ATOM 1989 O MET A 185 13.416 -3.673 -2.038 1.00 0.90 O ATOM 1990 CB MET A 185 10.825 -1.908 -2.044 1.00 0.77 C ATOM 1991 CG MET A 185 9.856 -0.770 -1.763 1.00 1.01 C ATOM 1992 SD MET A 185 8.456 -0.740 -2.904 1.00 1.35 S ATOM 1993 CE MET A 185 7.818 -2.405 -2.737 1.00 1.03 C ATOM 0 H MET A 185 13.317 -1.069 -2.706 1.00 0.49 H new ATOM 0 HA MET A 185 11.821 -1.532 -0.195 1.00 0.51 H new ATOM 0 HB2 MET A 185 11.100 -1.887 -3.099 1.00 0.77 H new ATOM 0 HB3 MET A 185 10.319 -2.857 -1.866 1.00 0.77 H new ATOM 0 HG2 MET A 185 9.484 -0.860 -0.742 1.00 1.01 H new ATOM 0 HG3 MET A 185 10.390 0.178 -1.826 1.00 1.01 H new ATOM 0 HE1 MET A 185 6.730 -2.374 -2.682 1.00 1.03 H new ATOM 0 HE2 MET A 185 8.121 -2.999 -3.599 1.00 1.03 H new ATOM 0 HE3 MET A 185 8.214 -2.857 -1.828 1.00 1.03 H new ATOM 2003 N CYS A 186 12.504 -3.901 0.001 1.00 0.55 N ATOM 2004 CA CYS A 186 13.058 -5.221 0.238 1.00 0.81 C ATOM 2005 C CYS A 186 11.953 -6.268 0.298 1.00 0.71 C ATOM 2006 O CYS A 186 10.893 -6.037 0.892 1.00 0.65 O ATOM 2007 CB CYS A 186 13.860 -5.217 1.539 1.00 1.10 C ATOM 2008 SG CYS A 186 13.130 -4.195 2.838 1.00 1.73 S ATOM 0 H CYS A 186 11.933 -3.544 0.767 1.00 0.55 H new ATOM 0 HA CYS A 186 13.720 -5.477 -0.589 1.00 0.81 H new ATOM 0 HB2 CYS A 186 13.951 -6.241 1.902 1.00 1.10 H new ATOM 0 HB3 CYS A 186 14.869 -4.861 1.332 1.00 1.10 H new ATOM 0 HG CYS A 186 11.924 -3.853 2.494 1.00 1.73 H new ATOM 2014 N GLN A 187 12.196 -7.407 -0.330 1.00 0.81 N ATOM 2015 CA GLN A 187 11.238 -8.496 -0.335 1.00 0.79 C ATOM 2016 C GLN A 187 11.776 -9.628 0.535 1.00 0.87 C ATOM 2017 O GLN A 187 12.675 -10.363 0.130 1.00 1.01 O ATOM 2018 CB GLN A 187 11.006 -8.960 -1.783 1.00 0.95 C ATOM 2019 CG GLN A 187 9.704 -9.721 -2.016 1.00 1.08 C ATOM 2020 CD GLN A 187 9.705 -11.117 -1.431 1.00 1.47 C ATOM 2021 OE1 GLN A 187 10.128 -12.072 -2.078 1.00 1.93 O ATOM 2022 NE2 GLN A 187 9.208 -11.250 -0.212 1.00 1.60 N ATOM 0 H GLN A 187 13.055 -7.600 -0.845 1.00 0.81 H new ATOM 0 HA GLN A 187 10.281 -8.171 0.073 1.00 0.79 H new ATOM 0 HB2 GLN A 187 11.020 -8.087 -2.435 1.00 0.95 H new ATOM 0 HB3 GLN A 187 11.839 -9.595 -2.083 1.00 0.95 H new ATOM 0 HG2 GLN A 187 8.880 -9.155 -1.582 1.00 1.08 H new ATOM 0 HG3 GLN A 187 9.517 -9.785 -3.088 1.00 1.08 H new ATOM 0 HE21 GLN A 187 8.867 -10.431 0.292 1.00 1.60 H new ATOM 0 HE22 GLN A 187 9.166 -12.171 0.224 1.00 1.60 H new ATOM 2031 N ILE A 188 11.218 -9.756 1.732 1.00 0.82 N ATOM 2032 CA ILE A 188 11.683 -10.740 2.703 1.00 0.92 C ATOM 2033 C ILE A 188 10.503 -11.346 3.450 1.00 0.95 C ATOM 2034 O ILE A 188 9.497 -10.674 3.675 1.00 0.87 O ATOM 2035 CB ILE A 188 12.672 -10.134 3.729 1.00 0.99 C ATOM 2036 CG1 ILE A 188 12.074 -8.891 4.381 1.00 0.96 C ATOM 2037 CG2 ILE A 188 13.995 -9.794 3.060 1.00 1.07 C ATOM 2038 CD1 ILE A 188 12.913 -8.330 5.510 1.00 1.11 C ATOM 0 H ILE A 188 10.437 -9.186 2.056 1.00 0.82 H new ATOM 0 HA ILE A 188 12.209 -11.511 2.140 1.00 0.92 H new ATOM 0 HB ILE A 188 12.857 -10.877 4.505 1.00 0.99 H new ATOM 0 HG12 ILE A 188 11.943 -8.121 3.621 1.00 0.96 H new ATOM 0 HG13 ILE A 188 11.083 -9.134 4.763 1.00 0.96 H new ATOM 0 HG21 ILE A 188 14.677 -9.369 3.797 1.00 1.07 H new ATOM 0 HG22 ILE A 188 14.433 -10.699 2.639 1.00 1.07 H new ATOM 0 HG23 ILE A 188 13.824 -9.070 2.264 1.00 1.07 H new ATOM 0 HD11 ILE A 188 12.424 -7.448 5.924 1.00 1.11 H new ATOM 0 HD12 ILE A 188 13.023 -9.083 6.290 1.00 1.11 H new ATOM 0 HD13 ILE A 188 13.897 -8.054 5.130 1.00 1.11 H new ATOM 2050 N SER A 189 10.616 -12.629 3.780 1.00 1.12 N ATOM 2051 CA SER A 189 9.573 -13.350 4.511 1.00 1.23 C ATOM 2052 C SER A 189 8.298 -13.457 3.677 1.00 1.13 C ATOM 2053 O SER A 189 7.196 -13.583 4.217 1.00 1.15 O ATOM 2054 CB SER A 189 9.286 -12.663 5.851 1.00 1.31 C ATOM 2055 OG SER A 189 10.471 -12.539 6.623 1.00 1.86 O ATOM 0 H SER A 189 11.430 -13.199 3.550 1.00 1.12 H new ATOM 0 HA SER A 189 9.932 -14.360 4.710 1.00 1.23 H new ATOM 0 HB2 SER A 189 8.858 -11.676 5.674 1.00 1.31 H new ATOM 0 HB3 SER A 189 8.544 -13.237 6.406 1.00 1.31 H new ATOM 0 HG SER A 189 10.263 -12.096 7.472 1.00 1.86 H new ATOM 2061 N GLU A 190 8.474 -13.419 2.354 1.00 1.11 N ATOM 2062 CA GLU A 190 7.366 -13.484 1.401 1.00 1.13 C ATOM 2063 C GLU A 190 6.427 -12.285 1.558 1.00 0.96 C ATOM 2064 O GLU A 190 5.283 -12.312 1.109 1.00 1.05 O ATOM 2065 CB GLU A 190 6.591 -14.805 1.539 1.00 1.34 C ATOM 2066 CG GLU A 190 7.299 -16.012 0.927 1.00 1.74 C ATOM 2067 CD GLU A 190 8.663 -16.285 1.530 1.00 2.26 C ATOM 2068 OE1 GLU A 190 9.679 -16.041 0.845 1.00 2.66 O ATOM 2069 OE2 GLU A 190 8.733 -16.742 2.691 1.00 2.83 O ATOM 0 H GLU A 190 9.391 -13.342 1.914 1.00 1.11 H new ATOM 0 HA GLU A 190 7.793 -13.447 0.399 1.00 1.13 H new ATOM 0 HB2 GLU A 190 6.413 -15.000 2.596 1.00 1.34 H new ATOM 0 HB3 GLU A 190 5.615 -14.692 1.067 1.00 1.34 H new ATOM 0 HG2 GLU A 190 6.671 -16.894 1.054 1.00 1.74 H new ATOM 0 HG3 GLU A 190 7.410 -15.852 -0.145 1.00 1.74 H new ATOM 2076 N GLN A 191 6.930 -11.228 2.184 1.00 0.81 N ATOM 2077 CA GLN A 191 6.162 -10.006 2.361 1.00 0.71 C ATOM 2078 C GLN A 191 7.011 -8.807 1.948 1.00 0.61 C ATOM 2079 O GLN A 191 8.218 -8.938 1.721 1.00 0.65 O ATOM 2080 CB GLN A 191 5.691 -9.871 3.814 1.00 0.78 C ATOM 2081 CG GLN A 191 6.802 -9.571 4.805 1.00 0.87 C ATOM 2082 CD GLN A 191 6.317 -9.584 6.239 1.00 1.15 C ATOM 2083 OE1 GLN A 191 6.379 -10.607 6.920 1.00 1.75 O ATOM 2084 NE2 GLN A 191 5.817 -8.452 6.704 1.00 1.46 N ATOM 0 H GLN A 191 7.870 -11.195 2.578 1.00 0.81 H new ATOM 0 HA GLN A 191 5.276 -10.044 1.728 1.00 0.71 H new ATOM 0 HB2 GLN A 191 4.946 -9.077 3.870 1.00 0.78 H new ATOM 0 HB3 GLN A 191 5.195 -10.795 4.110 1.00 0.78 H new ATOM 0 HG2 GLN A 191 7.598 -10.306 4.687 1.00 0.87 H new ATOM 0 HG3 GLN A 191 7.233 -8.596 4.579 1.00 0.87 H new ATOM 0 HE21 GLN A 191 5.784 -7.626 6.107 1.00 1.46 H new ATOM 0 HE22 GLN A 191 5.465 -8.405 7.660 1.00 1.46 H new ATOM 2093 N ILE A 192 6.378 -7.653 1.819 1.00 0.56 N ATOM 2094 CA ILE A 192 7.054 -6.457 1.342 1.00 0.50 C ATOM 2095 C ILE A 192 7.450 -5.530 2.490 1.00 0.47 C ATOM 2096 O ILE A 192 6.652 -5.243 3.381 1.00 0.61 O ATOM 2097 CB ILE A 192 6.158 -5.688 0.348 1.00 0.65 C ATOM 2098 CG1 ILE A 192 5.829 -6.570 -0.857 1.00 0.89 C ATOM 2099 CG2 ILE A 192 6.826 -4.399 -0.098 1.00 0.64 C ATOM 2100 CD1 ILE A 192 7.045 -6.994 -1.650 1.00 1.01 C ATOM 0 H ILE A 192 5.391 -7.518 2.039 1.00 0.56 H new ATOM 0 HA ILE A 192 7.964 -6.784 0.838 1.00 0.50 H new ATOM 0 HB ILE A 192 5.228 -5.427 0.853 1.00 0.65 H new ATOM 0 HG12 ILE A 192 5.303 -7.460 -0.512 1.00 0.89 H new ATOM 0 HG13 ILE A 192 5.147 -6.031 -1.515 1.00 0.89 H new ATOM 0 HG21 ILE A 192 6.175 -3.875 -0.798 1.00 0.64 H new ATOM 0 HG22 ILE A 192 7.010 -3.766 0.770 1.00 0.64 H new ATOM 0 HG23 ILE A 192 7.773 -4.630 -0.586 1.00 0.64 H new ATOM 0 HD11 ILE A 192 6.734 -7.617 -2.489 1.00 1.01 H new ATOM 0 HD12 ILE A 192 7.560 -6.110 -2.026 1.00 1.01 H new ATOM 0 HD13 ILE A 192 7.719 -7.561 -1.008 1.00 1.01 H new ATOM 2112 N TYR A 193 8.694 -5.073 2.465 1.00 0.48 N ATOM 2113 CA TYR A 193 9.167 -4.091 3.429 1.00 0.68 C ATOM 2114 C TYR A 193 9.748 -2.878 2.721 1.00 0.50 C ATOM 2115 O TYR A 193 10.483 -3.011 1.742 1.00 0.47 O ATOM 2116 CB TYR A 193 10.223 -4.692 4.351 1.00 1.05 C ATOM 2117 CG TYR A 193 9.658 -5.427 5.539 1.00 1.54 C ATOM 2118 CD1 TYR A 193 9.237 -4.744 6.667 1.00 2.35 C ATOM 2119 CD2 TYR A 193 9.539 -6.808 5.523 1.00 1.86 C ATOM 2120 CE1 TYR A 193 8.713 -5.417 7.750 1.00 3.17 C ATOM 2121 CE2 TYR A 193 9.017 -7.491 6.600 1.00 2.49 C ATOM 2122 CZ TYR A 193 8.627 -6.769 7.738 1.00 3.09 C ATOM 2123 OH TYR A 193 8.080 -7.465 8.792 1.00 3.94 O ATOM 0 H TYR A 193 9.395 -5.368 1.785 1.00 0.48 H new ATOM 0 HA TYR A 193 8.310 -3.781 4.028 1.00 0.68 H new ATOM 0 HB2 TYR A 193 10.844 -5.378 3.775 1.00 1.05 H new ATOM 0 HB3 TYR A 193 10.875 -3.894 4.707 1.00 1.05 H new ATOM 0 HD1 TYR A 193 9.320 -3.668 6.699 1.00 2.35 H new ATOM 0 HD2 TYR A 193 9.861 -7.358 4.651 1.00 1.86 H new ATOM 0 HE1 TYR A 193 8.370 -4.864 8.612 1.00 3.17 H new ATOM 0 HE2 TYR A 193 8.910 -8.565 6.569 1.00 2.49 H new ATOM 0 HH TYR A 193 8.105 -8.425 8.598 1.00 3.94 H new ATOM 2133 N TYR A 194 9.422 -1.703 3.226 1.00 0.49 N ATOM 2134 CA TYR A 194 9.938 -0.458 2.677 1.00 0.41 C ATOM 2135 C TYR A 194 11.078 0.050 3.542 1.00 0.40 C ATOM 2136 O TYR A 194 10.883 0.352 4.718 1.00 0.49 O ATOM 2137 CB TYR A 194 8.822 0.584 2.612 1.00 0.56 C ATOM 2138 CG TYR A 194 7.875 0.402 1.444 1.00 0.59 C ATOM 2139 CD1 TYR A 194 7.184 -0.789 1.263 1.00 0.80 C ATOM 2140 CD2 TYR A 194 7.661 1.427 0.533 1.00 0.78 C ATOM 2141 CE1 TYR A 194 6.310 -0.953 0.208 1.00 0.89 C ATOM 2142 CE2 TYR A 194 6.788 1.270 -0.527 1.00 0.85 C ATOM 2143 CZ TYR A 194 6.115 0.077 -0.684 1.00 0.80 C ATOM 2144 OH TYR A 194 5.242 -0.087 -1.732 1.00 0.92 O ATOM 0 H TYR A 194 8.797 -1.582 4.023 1.00 0.49 H new ATOM 0 HA TYR A 194 10.311 -0.637 1.668 1.00 0.41 H new ATOM 0 HB2 TYR A 194 8.250 0.547 3.539 1.00 0.56 H new ATOM 0 HB3 TYR A 194 9.269 1.576 2.553 1.00 0.56 H new ATOM 0 HD1 TYR A 194 7.333 -1.601 1.960 1.00 0.80 H new ATOM 0 HD2 TYR A 194 8.186 2.363 0.654 1.00 0.78 H new ATOM 0 HE1 TYR A 194 5.781 -1.886 0.083 1.00 0.89 H new ATOM 0 HE2 TYR A 194 6.634 2.077 -1.228 1.00 0.85 H new ATOM 0 HH TYR A 194 4.650 0.692 -1.790 1.00 0.92 H new ATOM 2154 N LYS A 195 12.267 0.131 2.971 1.00 0.37 N ATOM 2155 CA LYS A 195 13.438 0.524 3.732 1.00 0.38 C ATOM 2156 C LYS A 195 13.951 1.872 3.256 1.00 0.39 C ATOM 2157 O LYS A 195 14.302 2.039 2.087 1.00 0.43 O ATOM 2158 CB LYS A 195 14.531 -0.549 3.622 1.00 0.40 C ATOM 2159 CG LYS A 195 15.748 -0.294 4.507 1.00 0.43 C ATOM 2160 CD LYS A 195 16.839 0.487 3.786 1.00 0.46 C ATOM 2161 CE LYS A 195 17.506 -0.339 2.697 1.00 0.53 C ATOM 2162 NZ LYS A 195 18.171 -1.551 3.247 1.00 1.11 N ATOM 0 H LYS A 195 12.446 -0.069 1.987 1.00 0.37 H new ATOM 0 HA LYS A 195 13.158 0.619 4.781 1.00 0.38 H new ATOM 0 HB2 LYS A 195 14.102 -1.517 3.883 1.00 0.40 H new ATOM 0 HB3 LYS A 195 14.858 -0.614 2.584 1.00 0.40 H new ATOM 0 HG2 LYS A 195 15.438 0.256 5.396 1.00 0.43 H new ATOM 0 HG3 LYS A 195 16.152 -1.247 4.847 1.00 0.43 H new ATOM 0 HD2 LYS A 195 16.410 1.388 3.347 1.00 0.46 H new ATOM 0 HD3 LYS A 195 17.590 0.811 4.507 1.00 0.46 H new ATOM 0 HE2 LYS A 195 16.760 -0.637 1.960 1.00 0.53 H new ATOM 0 HE3 LYS A 195 18.242 0.274 2.176 1.00 0.53 H new ATOM 0 HZ1 LYS A 195 18.831 -1.936 2.541 1.00 1.11 H new ATOM 0 HZ2 LYS A 195 18.695 -1.298 4.109 1.00 1.11 H new ATOM 0 HZ3 LYS A 195 17.453 -2.267 3.476 1.00 1.11 H new ATOM 2176 N VAL A 196 13.984 2.829 4.163 1.00 0.41 N ATOM 2177 CA VAL A 196 14.503 4.145 3.856 1.00 0.45 C ATOM 2178 C VAL A 196 15.997 4.164 4.101 1.00 0.43 C ATOM 2179 O VAL A 196 16.520 3.387 4.895 1.00 0.41 O ATOM 2180 CB VAL A 196 13.834 5.254 4.677 1.00 0.51 C ATOM 2181 CG1 VAL A 196 13.946 6.570 3.939 1.00 0.70 C ATOM 2182 CG2 VAL A 196 12.376 4.922 4.975 1.00 0.68 C ATOM 0 H VAL A 196 13.656 2.718 5.122 1.00 0.41 H new ATOM 0 HA VAL A 196 14.282 4.345 2.808 1.00 0.45 H new ATOM 0 HB VAL A 196 14.350 5.336 5.634 1.00 0.51 H new ATOM 0 HG11 VAL A 196 13.470 7.357 4.524 1.00 0.70 H new ATOM 0 HG12 VAL A 196 14.998 6.815 3.789 1.00 0.70 H new ATOM 0 HG13 VAL A 196 13.451 6.488 2.971 1.00 0.70 H new ATOM 0 HG21 VAL A 196 11.931 5.728 5.558 1.00 0.68 H new ATOM 0 HG22 VAL A 196 11.830 4.808 4.038 1.00 0.68 H new ATOM 0 HG23 VAL A 196 12.323 3.992 5.542 1.00 0.68 H new ATOM 2192 N ILE A 197 16.670 5.032 3.377 1.00 0.47 N ATOM 2193 CA ILE A 197 18.120 4.984 3.263 1.00 0.45 C ATOM 2194 C ILE A 197 18.802 5.914 4.251 1.00 0.45 C ATOM 2195 O ILE A 197 19.652 5.488 5.033 1.00 0.49 O ATOM 2196 CB ILE A 197 18.586 5.380 1.848 1.00 0.47 C ATOM 2197 CG1 ILE A 197 17.488 5.142 0.814 1.00 0.60 C ATOM 2198 CG2 ILE A 197 19.835 4.605 1.472 1.00 0.47 C ATOM 2199 CD1 ILE A 197 17.022 3.711 0.717 1.00 0.62 C ATOM 0 H ILE A 197 16.234 5.790 2.851 1.00 0.47 H new ATOM 0 HA ILE A 197 18.400 3.953 3.479 1.00 0.45 H new ATOM 0 HB ILE A 197 18.815 6.446 1.856 1.00 0.47 H new ATOM 0 HG12 ILE A 197 16.634 5.774 1.057 1.00 0.60 H new ATOM 0 HG13 ILE A 197 17.851 5.460 -0.163 1.00 0.60 H new ATOM 0 HG21 ILE A 197 20.154 4.893 0.471 1.00 0.47 H new ATOM 0 HG22 ILE A 197 20.629 4.827 2.184 1.00 0.47 H new ATOM 0 HG23 ILE A 197 19.620 3.537 1.491 1.00 0.47 H new ATOM 0 HD11 ILE A 197 16.242 3.633 -0.041 1.00 0.62 H new ATOM 0 HD12 ILE A 197 17.861 3.073 0.441 1.00 0.62 H new ATOM 0 HD13 ILE A 197 16.625 3.392 1.681 1.00 0.62 H new ATOM 2211 N LYS A 198 18.443 7.184 4.192 1.00 0.47 N ATOM 2212 CA LYS A 198 19.117 8.198 4.995 1.00 0.49 C ATOM 2213 C LYS A 198 18.117 9.138 5.656 1.00 0.48 C ATOM 2214 O LYS A 198 16.915 9.046 5.401 1.00 0.49 O ATOM 2215 CB LYS A 198 20.111 8.988 4.127 1.00 0.59 C ATOM 2216 CG LYS A 198 19.493 9.636 2.899 1.00 0.75 C ATOM 2217 CD LYS A 198 18.921 11.012 3.212 1.00 0.94 C ATOM 2218 CE LYS A 198 17.668 11.292 2.405 1.00 0.98 C ATOM 2219 NZ LYS A 198 17.148 12.665 2.647 1.00 1.38 N ATOM 0 H LYS A 198 17.692 7.540 3.600 1.00 0.47 H new ATOM 0 HA LYS A 198 19.667 7.691 5.788 1.00 0.49 H new ATOM 0 HB2 LYS A 198 20.573 9.763 4.739 1.00 0.59 H new ATOM 0 HB3 LYS A 198 20.908 8.317 3.807 1.00 0.59 H new ATOM 0 HG2 LYS A 198 20.247 9.725 2.117 1.00 0.75 H new ATOM 0 HG3 LYS A 198 18.703 8.994 2.508 1.00 0.75 H new ATOM 0 HD2 LYS A 198 18.692 11.078 4.276 1.00 0.94 H new ATOM 0 HD3 LYS A 198 19.670 11.775 2.999 1.00 0.94 H new ATOM 0 HE2 LYS A 198 17.884 11.167 1.344 1.00 0.98 H new ATOM 0 HE3 LYS A 198 16.900 10.562 2.662 1.00 0.98 H new ATOM 0 HZ1 LYS A 198 16.139 12.703 2.399 1.00 1.38 H new ATOM 0 HZ2 LYS A 198 17.267 12.910 3.651 1.00 1.38 H new ATOM 0 HZ3 LYS A 198 17.674 13.344 2.060 1.00 1.38 H new ATOM 2233 N ASP A 199 18.635 10.047 6.482 1.00 0.52 N ATOM 2234 CA ASP A 199 17.812 11.018 7.201 1.00 0.56 C ATOM 2235 C ASP A 199 16.846 11.745 6.276 1.00 0.55 C ATOM 2236 O ASP A 199 17.243 12.521 5.402 1.00 0.67 O ATOM 2237 CB ASP A 199 18.695 12.019 7.944 1.00 0.67 C ATOM 2238 CG ASP A 199 17.923 13.190 8.523 1.00 1.56 C ATOM 2239 OD1 ASP A 199 17.226 13.001 9.542 1.00 2.23 O ATOM 2240 OD2 ASP A 199 17.985 14.297 7.953 1.00 2.13 O ATOM 0 H ASP A 199 19.634 10.131 6.671 1.00 0.52 H new ATOM 0 HA ASP A 199 17.214 10.465 7.925 1.00 0.56 H new ATOM 0 HB2 ASP A 199 19.217 11.503 8.750 1.00 0.67 H new ATOM 0 HB3 ASP A 199 19.456 12.397 7.262 1.00 0.67 H new ATOM 2245 N ILE A 200 15.576 11.467 6.481 1.00 0.52 N ATOM 2246 CA ILE A 200 14.513 12.039 5.671 1.00 0.55 C ATOM 2247 C ILE A 200 14.188 13.453 6.115 1.00 0.54 C ATOM 2248 O ILE A 200 14.108 13.738 7.310 1.00 0.57 O ATOM 2249 CB ILE A 200 13.229 11.169 5.728 1.00 0.63 C ATOM 2250 CG1 ILE A 200 13.372 9.946 4.826 1.00 0.69 C ATOM 2251 CG2 ILE A 200 11.989 11.967 5.339 1.00 0.80 C ATOM 2252 CD1 ILE A 200 13.626 10.289 3.369 1.00 0.88 C ATOM 0 H ILE A 200 15.248 10.838 7.214 1.00 0.52 H new ATOM 0 HA ILE A 200 14.873 12.065 4.642 1.00 0.55 H new ATOM 0 HB ILE A 200 13.103 10.839 6.759 1.00 0.63 H new ATOM 0 HG12 ILE A 200 14.192 9.329 5.193 1.00 0.69 H new ATOM 0 HG13 ILE A 200 12.465 9.346 4.896 1.00 0.69 H new ATOM 0 HG21 ILE A 200 11.111 11.323 5.391 1.00 0.80 H new ATOM 0 HG22 ILE A 200 11.866 12.805 6.025 1.00 0.80 H new ATOM 0 HG23 ILE A 200 12.103 12.344 4.323 1.00 0.80 H new ATOM 0 HD11 ILE A 200 13.717 9.370 2.789 1.00 0.88 H new ATOM 0 HD12 ILE A 200 12.795 10.880 2.984 1.00 0.88 H new ATOM 0 HD13 ILE A 200 14.549 10.863 3.286 1.00 0.88 H new ATOM 2264 N GLU A 201 14.022 14.337 5.150 1.00 0.55 N ATOM 2265 CA GLU A 201 13.563 15.682 5.432 1.00 0.57 C ATOM 2266 C GLU A 201 12.045 15.709 5.406 1.00 0.49 C ATOM 2267 O GLU A 201 11.434 15.243 4.446 1.00 0.55 O ATOM 2268 CB GLU A 201 14.125 16.667 4.410 1.00 0.68 C ATOM 2269 CG GLU A 201 15.636 16.752 4.436 1.00 0.81 C ATOM 2270 CD GLU A 201 16.173 17.820 3.513 1.00 1.29 C ATOM 2271 OE1 GLU A 201 16.110 19.014 3.875 1.00 1.51 O ATOM 2272 OE2 GLU A 201 16.654 17.472 2.416 1.00 2.06 O ATOM 0 H GLU A 201 14.198 14.147 4.163 1.00 0.55 H new ATOM 0 HA GLU A 201 13.916 15.979 6.420 1.00 0.57 H new ATOM 0 HB2 GLU A 201 13.801 16.371 3.412 1.00 0.68 H new ATOM 0 HB3 GLU A 201 13.708 17.656 4.600 1.00 0.68 H new ATOM 0 HG2 GLU A 201 15.967 16.957 5.454 1.00 0.81 H new ATOM 0 HG3 GLU A 201 16.056 15.787 4.152 1.00 0.81 H new ATOM 2279 N PRO A 202 11.408 16.215 6.470 1.00 0.43 N ATOM 2280 CA PRO A 202 9.953 16.315 6.521 1.00 0.43 C ATOM 2281 C PRO A 202 9.414 17.055 5.306 1.00 0.45 C ATOM 2282 O PRO A 202 9.637 18.257 5.147 1.00 0.51 O ATOM 2283 CB PRO A 202 9.691 17.108 7.804 1.00 0.49 C ATOM 2284 CG PRO A 202 10.892 16.862 8.650 1.00 0.49 C ATOM 2285 CD PRO A 202 12.046 16.721 7.698 1.00 0.45 C ATOM 0 HA PRO A 202 9.463 15.342 6.516 1.00 0.43 H new ATOM 0 HB2 PRO A 202 9.565 18.170 7.595 1.00 0.49 H new ATOM 0 HB3 PRO A 202 8.781 16.770 8.300 1.00 0.49 H new ATOM 0 HG2 PRO A 202 11.057 17.687 9.343 1.00 0.49 H new ATOM 0 HG3 PRO A 202 10.769 15.961 9.250 1.00 0.49 H new ATOM 0 HD2 PRO A 202 12.547 17.674 7.528 1.00 0.45 H new ATOM 0 HD3 PRO A 202 12.798 16.028 8.076 1.00 0.45 H new ATOM 2293 N GLY A 203 8.711 16.333 4.447 1.00 0.44 N ATOM 2294 CA GLY A 203 8.207 16.923 3.230 1.00 0.52 C ATOM 2295 C GLY A 203 8.692 16.214 1.976 1.00 0.54 C ATOM 2296 O GLY A 203 8.263 16.551 0.874 1.00 0.70 O ATOM 0 H GLY A 203 8.481 15.347 4.573 1.00 0.44 H new ATOM 0 HA2 GLY A 203 7.117 16.907 3.250 1.00 0.52 H new ATOM 0 HA3 GLY A 203 8.510 17.969 3.188 1.00 0.52 H new ATOM 2300 N GLU A 204 9.600 15.249 2.122 1.00 0.48 N ATOM 2301 CA GLU A 204 10.021 14.451 0.973 1.00 0.51 C ATOM 2302 C GLU A 204 9.611 12.989 1.153 1.00 0.39 C ATOM 2303 O GLU A 204 9.964 12.342 2.142 1.00 0.40 O ATOM 2304 CB GLU A 204 11.542 14.560 0.748 1.00 0.65 C ATOM 2305 CG GLU A 204 12.388 14.000 1.886 1.00 0.71 C ATOM 2306 CD GLU A 204 13.879 14.006 1.595 1.00 0.99 C ATOM 2307 OE1 GLU A 204 14.671 13.607 2.476 1.00 1.16 O ATOM 2308 OE2 GLU A 204 14.267 14.419 0.479 1.00 1.27 O ATOM 0 H GLU A 204 10.049 15.005 3.005 1.00 0.48 H new ATOM 0 HA GLU A 204 9.520 14.846 0.090 1.00 0.51 H new ATOM 0 HB2 GLU A 204 11.800 14.036 -0.172 1.00 0.65 H new ATOM 0 HB3 GLU A 204 11.801 15.608 0.601 1.00 0.65 H new ATOM 0 HG2 GLU A 204 12.200 14.582 2.788 1.00 0.71 H new ATOM 0 HG3 GLU A 204 12.071 12.978 2.094 1.00 0.71 H new ATOM 2315 N GLU A 205 8.820 12.487 0.216 1.00 0.47 N ATOM 2316 CA GLU A 205 8.447 11.079 0.195 1.00 0.51 C ATOM 2317 C GLU A 205 9.071 10.352 -0.991 1.00 0.43 C ATOM 2318 O GLU A 205 8.520 10.359 -2.089 1.00 0.49 O ATOM 2319 CB GLU A 205 6.921 10.903 0.165 1.00 0.80 C ATOM 2320 CG GLU A 205 6.131 12.141 -0.255 1.00 1.49 C ATOM 2321 CD GLU A 205 6.467 12.626 -1.649 1.00 2.41 C ATOM 2322 OE1 GLU A 205 7.301 13.551 -1.765 1.00 2.84 O ATOM 2323 OE2 GLU A 205 5.913 12.082 -2.626 1.00 2.92 O ATOM 0 H GLU A 205 8.422 13.037 -0.545 1.00 0.47 H new ATOM 0 HA GLU A 205 8.832 10.638 1.115 1.00 0.51 H new ATOM 0 HB2 GLU A 205 6.679 10.088 -0.518 1.00 0.80 H new ATOM 0 HB3 GLU A 205 6.587 10.598 1.157 1.00 0.80 H new ATOM 0 HG2 GLU A 205 5.065 11.917 -0.203 1.00 1.49 H new ATOM 0 HG3 GLU A 205 6.323 12.944 0.457 1.00 1.49 H new ATOM 2330 N LEU A 206 10.209 9.711 -0.778 1.00 0.37 N ATOM 2331 CA LEU A 206 10.796 8.895 -1.831 1.00 0.36 C ATOM 2332 C LEU A 206 10.968 7.466 -1.333 1.00 0.36 C ATOM 2333 O LEU A 206 11.929 7.165 -0.633 1.00 0.39 O ATOM 2334 CB LEU A 206 12.169 9.444 -2.276 1.00 0.41 C ATOM 2335 CG LEU A 206 12.223 10.898 -2.765 1.00 0.44 C ATOM 2336 CD1 LEU A 206 11.096 11.196 -3.744 1.00 0.90 C ATOM 2337 CD2 LEU A 206 12.207 11.860 -1.588 1.00 0.84 C ATOM 0 H LEU A 206 10.736 9.737 0.095 1.00 0.37 H new ATOM 0 HA LEU A 206 10.123 8.920 -2.688 1.00 0.36 H new ATOM 0 HB2 LEU A 206 12.859 9.344 -1.438 1.00 0.41 H new ATOM 0 HB3 LEU A 206 12.544 8.805 -3.076 1.00 0.41 H new ATOM 0 HG LEU A 206 13.161 11.040 -3.302 1.00 0.44 H new ATOM 0 HD11 LEU A 206 11.163 12.234 -4.071 1.00 0.90 H new ATOM 0 HD12 LEU A 206 11.181 10.537 -4.608 1.00 0.90 H new ATOM 0 HD13 LEU A 206 10.136 11.031 -3.255 1.00 0.90 H new ATOM 0 HD21 LEU A 206 12.246 12.885 -1.956 1.00 0.84 H new ATOM 0 HD22 LEU A 206 11.293 11.715 -1.012 1.00 0.84 H new ATOM 0 HD23 LEU A 206 13.071 11.670 -0.951 1.00 0.84 H new ATOM 2349 N LEU A 207 10.037 6.592 -1.711 1.00 0.37 N ATOM 2350 CA LEU A 207 10.090 5.171 -1.363 1.00 0.40 C ATOM 2351 C LEU A 207 9.491 4.338 -2.494 1.00 0.43 C ATOM 2352 O LEU A 207 8.297 4.421 -2.752 1.00 0.53 O ATOM 2353 CB LEU A 207 9.322 4.885 -0.060 1.00 0.43 C ATOM 2354 CG LEU A 207 10.049 5.174 1.269 1.00 0.45 C ATOM 2355 CD1 LEU A 207 11.516 4.763 1.205 1.00 0.49 C ATOM 2356 CD2 LEU A 207 9.909 6.637 1.669 1.00 0.44 C ATOM 0 H LEU A 207 9.222 6.849 -2.269 1.00 0.37 H new ATOM 0 HA LEU A 207 11.136 4.901 -1.214 1.00 0.40 H new ATOM 0 HB2 LEU A 207 8.403 5.470 -0.075 1.00 0.43 H new ATOM 0 HB3 LEU A 207 9.031 3.834 -0.064 1.00 0.43 H new ATOM 0 HG LEU A 207 9.570 4.569 2.039 1.00 0.45 H new ATOM 0 HD11 LEU A 207 11.997 4.981 2.159 1.00 0.49 H new ATOM 0 HD12 LEU A 207 11.586 3.695 0.999 1.00 0.49 H new ATOM 0 HD13 LEU A 207 12.015 5.319 0.411 1.00 0.49 H new ATOM 0 HD21 LEU A 207 10.432 6.809 2.610 1.00 0.44 H new ATOM 0 HD22 LEU A 207 10.341 7.269 0.893 1.00 0.44 H new ATOM 0 HD23 LEU A 207 8.854 6.882 1.791 1.00 0.44 H new ATOM 2368 N VAL A 208 10.307 3.541 -3.162 1.00 0.43 N ATOM 2369 CA VAL A 208 9.835 2.728 -4.271 1.00 0.50 C ATOM 2370 C VAL A 208 10.732 1.513 -4.447 1.00 0.57 C ATOM 2371 O VAL A 208 11.862 1.492 -3.955 1.00 0.59 O ATOM 2372 CB VAL A 208 9.797 3.531 -5.591 1.00 0.48 C ATOM 2373 CG1 VAL A 208 11.191 3.658 -6.186 1.00 0.91 C ATOM 2374 CG2 VAL A 208 8.832 2.900 -6.584 1.00 0.88 C ATOM 0 H VAL A 208 11.301 3.439 -2.956 1.00 0.43 H new ATOM 0 HA VAL A 208 8.820 2.409 -4.035 1.00 0.50 H new ATOM 0 HB VAL A 208 9.435 4.534 -5.367 1.00 0.48 H new ATOM 0 HG11 VAL A 208 11.140 4.227 -7.114 1.00 0.91 H new ATOM 0 HG12 VAL A 208 11.842 4.173 -5.480 1.00 0.91 H new ATOM 0 HG13 VAL A 208 11.591 2.665 -6.391 1.00 0.91 H new ATOM 0 HG21 VAL A 208 8.824 3.484 -7.504 1.00 0.88 H new ATOM 0 HG22 VAL A 208 9.151 1.881 -6.804 1.00 0.88 H new ATOM 0 HG23 VAL A 208 7.830 2.883 -6.156 1.00 0.88 H new ATOM 2384 N HIS A 209 10.222 0.500 -5.124 1.00 0.69 N ATOM 2385 CA HIS A 209 11.036 -0.625 -5.515 1.00 0.82 C ATOM 2386 C HIS A 209 11.547 -0.365 -6.914 1.00 0.94 C ATOM 2387 O HIS A 209 10.774 -0.356 -7.870 1.00 1.09 O ATOM 2388 CB HIS A 209 10.217 -1.923 -5.493 1.00 1.02 C ATOM 2389 CG HIS A 209 11.030 -3.159 -5.721 1.00 1.20 C ATOM 2390 ND1 HIS A 209 11.225 -3.666 -6.980 1.00 1.42 N ATOM 2391 CD2 HIS A 209 11.671 -3.946 -4.825 1.00 1.41 C ATOM 2392 CE1 HIS A 209 11.975 -4.740 -6.827 1.00 1.54 C ATOM 2393 NE2 HIS A 209 12.268 -4.949 -5.537 1.00 1.55 N ATOM 0 H HIS A 209 9.246 0.438 -5.413 1.00 0.69 H new ATOM 0 HA HIS A 209 11.865 -0.741 -4.817 1.00 0.82 H new ATOM 0 HB2 HIS A 209 9.711 -2.005 -4.531 1.00 1.02 H new ATOM 0 HB3 HIS A 209 9.442 -1.864 -6.257 1.00 1.02 H new ATOM 0 HD2 HIS A 209 11.704 -3.808 -3.754 1.00 1.41 H new ATOM 0 HE1 HIS A 209 12.310 -5.370 -7.638 1.00 1.54 H new ATOM 0 HE2 HIS A 209 12.830 -5.711 -5.158 1.00 1.55 H new ATOM 2401 N VAL A 210 12.833 -0.113 -7.035 1.00 1.14 N ATOM 2402 CA VAL A 210 13.428 0.092 -8.335 1.00 1.45 C ATOM 2403 C VAL A 210 13.536 -1.242 -9.064 1.00 1.58 C ATOM 2404 O VAL A 210 14.024 -2.230 -8.513 1.00 1.82 O ATOM 2405 CB VAL A 210 14.801 0.788 -8.239 1.00 1.92 C ATOM 2406 CG1 VAL A 210 14.645 2.196 -7.681 1.00 2.56 C ATOM 2407 CG2 VAL A 210 15.772 -0.015 -7.386 1.00 2.44 C ATOM 0 H VAL A 210 13.483 -0.046 -6.252 1.00 1.14 H new ATOM 0 HA VAL A 210 12.781 0.759 -8.905 1.00 1.45 H new ATOM 0 HB VAL A 210 15.214 0.851 -9.246 1.00 1.92 H new ATOM 0 HG11 VAL A 210 15.623 2.673 -7.620 1.00 2.56 H new ATOM 0 HG12 VAL A 210 13.998 2.778 -8.337 1.00 2.56 H new ATOM 0 HG13 VAL A 210 14.203 2.146 -6.686 1.00 2.56 H new ATOM 0 HG21 VAL A 210 16.730 0.503 -7.339 1.00 2.44 H new ATOM 0 HG22 VAL A 210 15.368 -0.123 -6.379 1.00 2.44 H new ATOM 0 HG23 VAL A 210 15.915 -1.001 -7.828 1.00 2.44 H new