USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 635 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 191 GLN : amide:sc= -1.05 X(o=-0.77,f=-0.81) USER MOD Set 1.2: A 193 TYR OH : rot -10:sc= 0.273 USER MOD Single : A 89 SER OG : rot 180:sc=-0.00739 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ -163:sc= 1.1 (180deg=0.581) USER MOD Single : A 103 LYS NZ :NH3+ -165:sc= -0.0229 (180deg=-0.262) USER MOD Single : A 104 MET CE :methyl -128:sc= -2.59! (180deg=-3.19) USER MOD Single : A 113 CYS SG : rot -155:sc= -1.75 USER MOD Single : A 167 SER OG : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 171 TYR OH : rot 180:sc= 0 USER MOD Single : A 176 CYS SG : rot -28:sc= -0.648 USER MOD Single : A 177 SER OG : rot 180:sc= 0 USER MOD Single : A 178 CYS SG : rot 180:sc= 0.0975 USER MOD Single : A 181 GLN : amide:sc= -0.821 K(o=-0.82,f=-2!) USER MOD Single : A 182 ASN : amide:sc= -3.65! C(o=-3.7!,f=-6.6!) USER MOD Single : A 184 THR OG1 : rot 180:sc= -0.0523 USER MOD Single : A 185 MET CE :methyl -113:sc= -0.569 (180deg=-2.85) USER MOD Single : A 186 CYS SG : rot 180:sc= 0 USER MOD Single : A 187 GLN : amide:sc= -1.9! C(o=-1.9!,f=-2.8!) USER MOD Single : A 189 SER OG : rot 180:sc= 0 USER MOD Single : A 194 TYR OH : rot 180:sc= 0 USER MOD Single : A 195 LYS NZ :NH3+ -167:sc= -0.0474 (180deg=-0.232) USER MOD Single : A 198 LYS NZ :NH3+ -112:sc= 0.00427 (180deg=0) USER MOD Single : A 209 HIS : no HD1:sc= -0.416 X(o=-0.42,f=0) USER MOD ----------------------------------------------------------------- ATOM 388 N ILE A 78 -7.426 5.211 3.780 1.00 1.90 N ATOM 389 CA ILE A 78 -6.338 4.336 4.181 1.00 1.74 C ATOM 390 C ILE A 78 -5.610 4.911 5.394 1.00 1.48 C ATOM 391 O ILE A 78 -5.161 6.059 5.368 1.00 1.42 O ATOM 392 CB ILE A 78 -5.335 4.142 3.024 1.00 1.86 C ATOM 393 CG1 ILE A 78 -6.063 3.646 1.770 1.00 2.18 C ATOM 394 CG2 ILE A 78 -4.238 3.163 3.424 1.00 1.84 C ATOM 395 CD1 ILE A 78 -5.183 3.575 0.541 1.00 2.45 C ATOM 0 HA ILE A 78 -6.766 3.369 4.443 1.00 1.74 H new ATOM 0 HB ILE A 78 -4.872 5.103 2.802 1.00 1.86 H new ATOM 0 HG12 ILE A 78 -6.475 2.657 1.968 1.00 2.18 H new ATOM 0 HG13 ILE A 78 -6.905 4.307 1.565 1.00 2.18 H new ATOM 0 HG21 ILE A 78 -3.541 3.039 2.595 1.00 1.84 H new ATOM 0 HG22 ILE A 78 -3.705 3.549 4.292 1.00 1.84 H new ATOM 0 HG23 ILE A 78 -4.683 2.199 3.671 1.00 1.84 H new ATOM 0 HD11 ILE A 78 -5.768 3.216 -0.305 1.00 2.45 H new ATOM 0 HD12 ILE A 78 -4.791 4.567 0.316 1.00 2.45 H new ATOM 0 HD13 ILE A 78 -4.355 2.891 0.726 1.00 2.45 H new ATOM 407 N PRO A 79 -5.508 4.133 6.479 1.00 1.44 N ATOM 408 CA PRO A 79 -4.814 4.559 7.695 1.00 1.27 C ATOM 409 C PRO A 79 -3.302 4.603 7.500 1.00 1.11 C ATOM 410 O PRO A 79 -2.686 3.613 7.099 1.00 1.23 O ATOM 411 CB PRO A 79 -5.196 3.486 8.716 1.00 1.50 C ATOM 412 CG PRO A 79 -5.477 2.274 7.900 1.00 1.75 C ATOM 413 CD PRO A 79 -6.064 2.772 6.609 1.00 1.70 C ATOM 0 HA PRO A 79 -5.094 5.567 8.000 1.00 1.27 H new ATOM 0 HB2 PRO A 79 -4.387 3.308 9.425 1.00 1.50 H new ATOM 0 HB3 PRO A 79 -6.069 3.784 9.297 1.00 1.50 H new ATOM 0 HG2 PRO A 79 -4.565 1.704 7.720 1.00 1.75 H new ATOM 0 HG3 PRO A 79 -6.172 1.610 8.414 1.00 1.75 H new ATOM 0 HD2 PRO A 79 -5.778 2.140 5.768 1.00 1.70 H new ATOM 0 HD3 PRO A 79 -7.153 2.785 6.642 1.00 1.70 H new ATOM 421 N ILE A 80 -2.708 5.755 7.773 1.00 0.93 N ATOM 422 CA ILE A 80 -1.277 5.923 7.601 1.00 0.82 C ATOM 423 C ILE A 80 -0.611 6.265 8.931 1.00 0.72 C ATOM 424 O ILE A 80 -1.198 6.951 9.770 1.00 0.74 O ATOM 425 CB ILE A 80 -0.925 7.016 6.553 1.00 0.86 C ATOM 426 CG1 ILE A 80 -1.339 8.422 7.022 1.00 0.89 C ATOM 427 CG2 ILE A 80 -1.579 6.696 5.216 1.00 1.01 C ATOM 428 CD1 ILE A 80 -2.824 8.717 6.906 1.00 0.99 C ATOM 0 H ILE A 80 -3.195 6.584 8.114 1.00 0.93 H new ATOM 0 HA ILE A 80 -0.897 4.971 7.230 1.00 0.82 H new ATOM 0 HB ILE A 80 0.159 7.016 6.435 1.00 0.86 H new ATOM 0 HG12 ILE A 80 -1.038 8.547 8.062 1.00 0.89 H new ATOM 0 HG13 ILE A 80 -0.789 9.161 6.440 1.00 0.89 H new ATOM 0 HG21 ILE A 80 -1.324 7.470 4.492 1.00 1.01 H new ATOM 0 HG22 ILE A 80 -1.221 5.731 4.857 1.00 1.01 H new ATOM 0 HG23 ILE A 80 -2.661 6.658 5.340 1.00 1.01 H new ATOM 0 HD11 ILE A 80 -3.023 9.729 7.259 1.00 0.99 H new ATOM 0 HD12 ILE A 80 -3.132 8.629 5.864 1.00 0.99 H new ATOM 0 HD13 ILE A 80 -3.385 8.005 7.512 1.00 0.99 H new ATOM 440 N PRO A 81 0.611 5.752 9.145 1.00 0.68 N ATOM 441 CA PRO A 81 1.415 6.047 10.340 1.00 0.67 C ATOM 442 C PRO A 81 1.607 7.541 10.552 1.00 0.64 C ATOM 443 O PRO A 81 1.711 8.302 9.592 1.00 0.61 O ATOM 444 CB PRO A 81 2.757 5.385 10.030 1.00 0.69 C ATOM 445 CG PRO A 81 2.427 4.296 9.080 1.00 0.71 C ATOM 446 CD PRO A 81 1.297 4.814 8.243 1.00 0.73 C ATOM 0 HA PRO A 81 0.939 5.685 11.251 1.00 0.67 H new ATOM 0 HB2 PRO A 81 3.457 6.095 9.591 1.00 0.69 H new ATOM 0 HB3 PRO A 81 3.224 4.994 10.934 1.00 0.69 H new ATOM 0 HG2 PRO A 81 3.288 4.042 8.461 1.00 0.71 H new ATOM 0 HG3 PRO A 81 2.137 3.389 9.610 1.00 0.71 H new ATOM 0 HD2 PRO A 81 1.658 5.312 7.343 1.00 0.73 H new ATOM 0 HD3 PRO A 81 0.635 4.011 7.919 1.00 0.73 H new ATOM 454 N ALA A 82 1.690 7.943 11.818 1.00 0.75 N ATOM 455 CA ALA A 82 1.775 9.355 12.190 1.00 0.80 C ATOM 456 C ALA A 82 3.076 9.995 11.719 1.00 0.71 C ATOM 457 O ALA A 82 3.224 11.214 11.751 1.00 0.78 O ATOM 458 CB ALA A 82 1.644 9.502 13.695 1.00 1.04 C ATOM 0 H ALA A 82 1.700 7.303 12.612 1.00 0.75 H new ATOM 0 HA ALA A 82 0.955 9.874 11.694 1.00 0.80 H new ATOM 0 HB1 ALA A 82 1.708 10.556 13.965 1.00 1.04 H new ATOM 0 HB2 ALA A 82 0.682 9.103 14.017 1.00 1.04 H new ATOM 0 HB3 ALA A 82 2.447 8.952 14.186 1.00 1.04 H new ATOM 464 N ASP A 83 4.019 9.165 11.303 1.00 0.67 N ATOM 465 CA ASP A 83 5.284 9.651 10.766 1.00 0.70 C ATOM 466 C ASP A 83 5.078 10.216 9.362 1.00 0.55 C ATOM 467 O ASP A 83 5.837 11.071 8.900 1.00 0.60 O ATOM 468 CB ASP A 83 6.316 8.519 10.728 1.00 0.88 C ATOM 469 CG ASP A 83 6.727 8.041 12.108 1.00 1.05 C ATOM 470 OD1 ASP A 83 7.826 8.408 12.571 1.00 1.39 O ATOM 471 OD2 ASP A 83 5.953 7.283 12.738 1.00 1.66 O ATOM 0 H ASP A 83 3.934 8.149 11.326 1.00 0.67 H new ATOM 0 HA ASP A 83 5.656 10.444 11.416 1.00 0.70 H new ATOM 0 HB2 ASP A 83 5.905 7.680 10.167 1.00 0.88 H new ATOM 0 HB3 ASP A 83 7.200 8.860 10.190 1.00 0.88 H new ATOM 476 N PHE A 84 4.024 9.749 8.698 1.00 0.45 N ATOM 477 CA PHE A 84 3.724 10.151 7.330 1.00 0.41 C ATOM 478 C PHE A 84 2.323 10.727 7.252 1.00 0.40 C ATOM 479 O PHE A 84 1.607 10.774 8.252 1.00 0.56 O ATOM 480 CB PHE A 84 3.846 8.960 6.374 1.00 0.42 C ATOM 481 CG PHE A 84 5.195 8.308 6.406 1.00 0.56 C ATOM 482 CD1 PHE A 84 5.485 7.339 7.350 1.00 0.66 C ATOM 483 CD2 PHE A 84 6.167 8.659 5.485 1.00 0.79 C ATOM 484 CE1 PHE A 84 6.721 6.729 7.372 1.00 0.87 C ATOM 485 CE2 PHE A 84 7.403 8.054 5.504 1.00 0.98 C ATOM 486 CZ PHE A 84 7.695 7.120 6.487 1.00 1.00 C ATOM 0 H PHE A 84 3.358 9.085 9.092 1.00 0.45 H new ATOM 0 HA PHE A 84 4.445 10.912 7.032 1.00 0.41 H new ATOM 0 HB2 PHE A 84 3.087 8.220 6.628 1.00 0.42 H new ATOM 0 HB3 PHE A 84 3.637 9.296 5.358 1.00 0.42 H new ATOM 0 HD1 PHE A 84 4.736 7.058 8.076 1.00 0.66 H new ATOM 0 HD2 PHE A 84 5.953 9.415 4.744 1.00 0.79 H new ATOM 0 HE1 PHE A 84 6.923 5.944 8.085 1.00 0.87 H new ATOM 0 HE2 PHE A 84 8.142 8.305 4.757 1.00 0.98 H new ATOM 0 HZ PHE A 84 8.688 6.701 6.556 1.00 1.00 H new ATOM 496 N GLU A 85 1.935 11.184 6.074 1.00 0.39 N ATOM 497 CA GLU A 85 0.595 11.701 5.878 1.00 0.44 C ATOM 498 C GLU A 85 0.191 11.606 4.416 1.00 0.39 C ATOM 499 O GLU A 85 0.887 12.116 3.540 1.00 0.40 O ATOM 500 CB GLU A 85 0.524 13.153 6.347 1.00 0.61 C ATOM 501 CG GLU A 85 -0.885 13.686 6.522 1.00 1.15 C ATOM 502 CD GLU A 85 -0.896 15.058 7.159 1.00 1.60 C ATOM 503 OE1 GLU A 85 -0.723 15.142 8.393 1.00 1.88 O ATOM 504 OE2 GLU A 85 -1.075 16.057 6.432 1.00 2.27 O ATOM 0 H GLU A 85 2.527 11.207 5.243 1.00 0.39 H new ATOM 0 HA GLU A 85 -0.098 11.099 6.466 1.00 0.44 H new ATOM 0 HB2 GLU A 85 1.054 13.242 7.295 1.00 0.61 H new ATOM 0 HB3 GLU A 85 1.050 13.781 5.628 1.00 0.61 H new ATOM 0 HG2 GLU A 85 -1.378 13.733 5.551 1.00 1.15 H new ATOM 0 HG3 GLU A 85 -1.460 12.995 7.139 1.00 1.15 H new ATOM 511 N LEU A 86 -0.928 10.954 4.157 1.00 0.41 N ATOM 512 CA LEU A 86 -1.434 10.842 2.800 1.00 0.43 C ATOM 513 C LEU A 86 -2.229 12.075 2.457 1.00 0.44 C ATOM 514 O LEU A 86 -3.176 12.437 3.160 1.00 0.48 O ATOM 515 CB LEU A 86 -2.296 9.593 2.649 1.00 0.52 C ATOM 516 CG LEU A 86 -2.635 9.189 1.209 1.00 0.59 C ATOM 517 CD1 LEU A 86 -2.954 7.709 1.152 1.00 0.79 C ATOM 518 CD2 LEU A 86 -3.813 9.989 0.670 1.00 0.70 C ATOM 0 H LEU A 86 -1.502 10.496 4.865 1.00 0.41 H new ATOM 0 HA LEU A 86 -0.592 10.755 2.113 1.00 0.43 H new ATOM 0 HB2 LEU A 86 -1.783 8.760 3.129 1.00 0.52 H new ATOM 0 HB3 LEU A 86 -3.228 9.749 3.192 1.00 0.52 H new ATOM 0 HG LEU A 86 -1.766 9.403 0.586 1.00 0.59 H new ATOM 0 HD11 LEU A 86 -3.194 7.428 0.127 1.00 0.79 H new ATOM 0 HD12 LEU A 86 -2.091 7.137 1.492 1.00 0.79 H new ATOM 0 HD13 LEU A 86 -3.807 7.496 1.796 1.00 0.79 H new ATOM 0 HD21 LEU A 86 -4.027 9.678 -0.353 1.00 0.70 H new ATOM 0 HD22 LEU A 86 -4.689 9.812 1.294 1.00 0.70 H new ATOM 0 HD23 LEU A 86 -3.568 11.051 0.682 1.00 0.70 H new ATOM 530 N ARG A 87 -1.841 12.707 1.372 1.00 0.47 N ATOM 531 CA ARG A 87 -2.428 13.965 0.965 1.00 0.55 C ATOM 532 C ARG A 87 -2.429 14.058 -0.548 1.00 0.61 C ATOM 533 O ARG A 87 -1.457 13.672 -1.197 1.00 0.66 O ATOM 534 CB ARG A 87 -1.631 15.134 1.548 1.00 0.62 C ATOM 535 CG ARG A 87 -1.738 15.286 3.051 1.00 0.69 C ATOM 536 CD ARG A 87 -3.146 15.644 3.463 1.00 1.04 C ATOM 537 NE ARG A 87 -3.220 16.012 4.873 1.00 1.63 N ATOM 538 CZ ARG A 87 -4.350 16.293 5.518 1.00 2.32 C ATOM 539 NH1 ARG A 87 -5.517 16.210 4.893 1.00 2.62 N ATOM 540 NH2 ARG A 87 -4.306 16.644 6.795 1.00 3.21 N ATOM 0 H ARG A 87 -1.111 12.365 0.747 1.00 0.47 H new ATOM 0 HA ARG A 87 -3.452 14.014 1.336 1.00 0.55 H new ATOM 0 HB2 ARG A 87 -0.581 15.008 1.283 1.00 0.62 H new ATOM 0 HB3 ARG A 87 -1.970 16.057 1.078 1.00 0.62 H new ATOM 0 HG2 ARG A 87 -1.439 14.356 3.536 1.00 0.69 H new ATOM 0 HG3 ARG A 87 -1.049 16.059 3.391 1.00 0.69 H new ATOM 0 HD2 ARG A 87 -3.504 16.472 2.852 1.00 1.04 H new ATOM 0 HD3 ARG A 87 -3.807 14.798 3.273 1.00 1.04 H new ATOM 0 HE ARG A 87 -2.348 16.057 5.400 1.00 1.63 H new ATOM 0 HH11 ARG A 87 -5.552 15.930 3.913 1.00 2.62 H new ATOM 0 HH12 ARG A 87 -6.380 16.427 5.392 1.00 2.62 H new ATOM 0 HH21 ARG A 87 -3.410 16.698 7.279 1.00 3.21 H new ATOM 0 HH22 ARG A 87 -5.169 16.860 7.294 1.00 3.21 H new ATOM 554 N GLU A 88 -3.512 14.562 -1.107 1.00 0.73 N ATOM 555 CA GLU A 88 -3.604 14.701 -2.545 1.00 0.84 C ATOM 556 C GLU A 88 -2.894 15.975 -2.984 1.00 0.87 C ATOM 557 O GLU A 88 -3.343 17.085 -2.691 1.00 0.98 O ATOM 558 CB GLU A 88 -5.069 14.723 -2.977 1.00 1.06 C ATOM 559 CG GLU A 88 -5.272 14.643 -4.481 1.00 1.61 C ATOM 560 CD GLU A 88 -6.736 14.651 -4.862 1.00 1.96 C ATOM 561 OE1 GLU A 88 -7.200 15.655 -5.448 1.00 2.46 O ATOM 562 OE2 GLU A 88 -7.434 13.655 -4.588 1.00 2.21 O ATOM 0 H GLU A 88 -4.333 14.879 -0.592 1.00 0.73 H new ATOM 0 HA GLU A 88 -3.119 13.849 -3.022 1.00 0.84 H new ATOM 0 HB2 GLU A 88 -5.588 13.889 -2.506 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -5.533 15.637 -2.606 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -4.770 15.484 -4.959 1.00 1.61 H new ATOM 0 HG3 GLU A 88 -4.805 13.735 -4.861 1.00 1.61 H new ATOM 569 N SER A 89 -1.777 15.803 -3.667 1.00 0.85 N ATOM 570 CA SER A 89 -1.014 16.918 -4.203 1.00 0.95 C ATOM 571 C SER A 89 -0.296 16.474 -5.469 1.00 0.90 C ATOM 572 O SER A 89 0.668 15.709 -5.409 1.00 1.11 O ATOM 573 CB SER A 89 -0.004 17.422 -3.168 1.00 1.03 C ATOM 574 OG SER A 89 -0.658 17.826 -1.972 1.00 1.58 O ATOM 0 H SER A 89 -1.373 14.888 -3.866 1.00 0.85 H new ATOM 0 HA SER A 89 -1.694 17.736 -4.441 1.00 0.95 H new ATOM 0 HB2 SER A 89 0.716 16.635 -2.945 1.00 1.03 H new ATOM 0 HB3 SER A 89 0.557 18.260 -3.581 1.00 1.03 H new ATOM 0 HG SER A 89 0.008 18.142 -1.326 1.00 1.58 H new ATOM 580 N SER A 90 -0.784 16.929 -6.612 1.00 0.86 N ATOM 581 CA SER A 90 -0.263 16.472 -7.887 1.00 0.88 C ATOM 582 C SER A 90 1.085 17.115 -8.195 1.00 0.87 C ATOM 583 O SER A 90 1.161 18.291 -8.555 1.00 1.02 O ATOM 584 CB SER A 90 -1.267 16.781 -9.000 1.00 1.13 C ATOM 585 OG SER A 90 -2.541 16.224 -8.706 1.00 1.86 O ATOM 0 H SER A 90 -1.538 17.612 -6.681 1.00 0.86 H new ATOM 0 HA SER A 90 -0.112 15.394 -7.829 1.00 0.88 H new ATOM 0 HB2 SER A 90 -1.358 17.860 -9.123 1.00 1.13 H new ATOM 0 HB3 SER A 90 -0.901 16.382 -9.946 1.00 1.13 H new ATOM 0 HG SER A 90 -3.166 16.436 -9.431 1.00 1.86 H new ATOM 591 N ILE A 91 2.147 16.339 -8.031 1.00 0.86 N ATOM 592 CA ILE A 91 3.481 16.776 -8.406 1.00 1.01 C ATOM 593 C ILE A 91 3.916 16.032 -9.672 1.00 1.09 C ATOM 594 O ILE A 91 4.045 14.803 -9.677 1.00 1.08 O ATOM 595 CB ILE A 91 4.493 16.592 -7.234 1.00 1.10 C ATOM 596 CG1 ILE A 91 5.907 17.081 -7.608 1.00 1.35 C ATOM 597 CG2 ILE A 91 4.520 15.148 -6.750 1.00 1.07 C ATOM 598 CD1 ILE A 91 6.770 16.063 -8.332 1.00 1.45 C ATOM 0 H ILE A 91 2.108 15.398 -7.638 1.00 0.86 H new ATOM 0 HA ILE A 91 3.463 17.844 -8.622 1.00 1.01 H new ATOM 0 HB ILE A 91 4.145 17.216 -6.411 1.00 1.10 H new ATOM 0 HG12 ILE A 91 5.814 17.967 -8.236 1.00 1.35 H new ATOM 0 HG13 ILE A 91 6.421 17.388 -6.697 1.00 1.35 H new ATOM 0 HG21 ILE A 91 5.235 15.051 -5.933 1.00 1.07 H new ATOM 0 HG22 ILE A 91 3.528 14.863 -6.400 1.00 1.07 H new ATOM 0 HG23 ILE A 91 4.817 14.495 -7.571 1.00 1.07 H new ATOM 0 HD11 ILE A 91 7.744 16.502 -8.551 1.00 1.45 H new ATOM 0 HD12 ILE A 91 6.902 15.184 -7.702 1.00 1.45 H new ATOM 0 HD13 ILE A 91 6.285 15.772 -9.264 1.00 1.45 H new ATOM 610 N PRO A 92 4.099 16.769 -10.782 1.00 1.24 N ATOM 611 CA PRO A 92 4.468 16.182 -12.074 1.00 1.37 C ATOM 612 C PRO A 92 5.800 15.443 -12.024 1.00 1.47 C ATOM 613 O PRO A 92 6.829 16.023 -11.685 1.00 1.61 O ATOM 614 CB PRO A 92 4.571 17.391 -13.011 1.00 1.58 C ATOM 615 CG PRO A 92 3.809 18.478 -12.336 1.00 1.59 C ATOM 616 CD PRO A 92 3.957 18.232 -10.863 1.00 1.37 C ATOM 0 HA PRO A 92 3.739 15.438 -12.394 1.00 1.37 H new ATOM 0 HB2 PRO A 92 5.610 17.679 -13.169 1.00 1.58 H new ATOM 0 HB3 PRO A 92 4.150 17.166 -13.991 1.00 1.58 H new ATOM 0 HG2 PRO A 92 4.201 19.458 -12.610 1.00 1.59 H new ATOM 0 HG3 PRO A 92 2.760 18.461 -12.631 1.00 1.59 H new ATOM 0 HD2 PRO A 92 4.828 18.745 -10.454 1.00 1.37 H new ATOM 0 HD3 PRO A 92 3.089 18.584 -10.306 1.00 1.37 H new ATOM 624 N GLY A 93 5.770 14.163 -12.365 1.00 1.47 N ATOM 625 CA GLY A 93 6.986 13.378 -12.396 1.00 1.62 C ATOM 626 C GLY A 93 7.071 12.371 -11.266 1.00 1.58 C ATOM 627 O GLY A 93 7.955 11.513 -11.260 1.00 1.74 O ATOM 0 H GLY A 93 4.924 13.654 -12.621 1.00 1.47 H new ATOM 0 HA2 GLY A 93 7.048 12.852 -13.349 1.00 1.62 H new ATOM 0 HA3 GLY A 93 7.845 14.047 -12.344 1.00 1.62 H new ATOM 631 N ALA A 94 6.157 12.465 -10.308 1.00 1.40 N ATOM 632 CA ALA A 94 6.141 11.531 -9.190 1.00 1.40 C ATOM 633 C ALA A 94 4.744 10.975 -8.946 1.00 1.27 C ATOM 634 O ALA A 94 4.476 9.806 -9.225 1.00 1.38 O ATOM 635 CB ALA A 94 6.684 12.188 -7.930 1.00 1.41 C ATOM 0 H ALA A 94 5.423 13.173 -10.282 1.00 1.40 H new ATOM 0 HA ALA A 94 6.790 10.695 -9.451 1.00 1.40 H new ATOM 0 HB1 ALA A 94 6.663 11.472 -7.108 1.00 1.41 H new ATOM 0 HB2 ALA A 94 7.710 12.512 -8.102 1.00 1.41 H new ATOM 0 HB3 ALA A 94 6.069 13.051 -7.676 1.00 1.41 H new ATOM 641 N GLY A 95 3.848 11.816 -8.449 1.00 1.09 N ATOM 642 CA GLY A 95 2.506 11.376 -8.152 1.00 1.02 C ATOM 643 C GLY A 95 2.072 11.777 -6.759 1.00 0.91 C ATOM 644 O GLY A 95 2.659 12.678 -6.165 1.00 1.02 O ATOM 0 H GLY A 95 4.031 12.799 -8.247 1.00 1.09 H new ATOM 0 HA2 GLY A 95 1.816 11.799 -8.882 1.00 1.02 H new ATOM 0 HA3 GLY A 95 2.450 10.292 -8.251 1.00 1.02 H new ATOM 648 N LEU A 96 1.042 11.124 -6.243 1.00 0.79 N ATOM 649 CA LEU A 96 0.551 11.415 -4.902 1.00 0.70 C ATOM 650 C LEU A 96 1.180 10.462 -3.897 1.00 0.65 C ATOM 651 O LEU A 96 0.958 9.253 -3.970 1.00 0.99 O ATOM 652 CB LEU A 96 -0.971 11.273 -4.860 1.00 0.77 C ATOM 653 CG LEU A 96 -1.692 11.800 -6.098 1.00 1.35 C ATOM 654 CD1 LEU A 96 -3.186 11.531 -6.002 1.00 2.05 C ATOM 655 CD2 LEU A 96 -1.424 13.282 -6.272 1.00 2.31 C ATOM 0 H LEU A 96 0.529 10.389 -6.731 1.00 0.79 H new ATOM 0 HA LEU A 96 0.824 12.438 -4.644 1.00 0.70 H new ATOM 0 HB2 LEU A 96 -1.221 10.220 -4.730 1.00 0.77 H new ATOM 0 HB3 LEU A 96 -1.348 11.800 -3.984 1.00 0.77 H new ATOM 0 HG LEU A 96 -1.308 11.275 -6.973 1.00 1.35 H new ATOM 0 HD11 LEU A 96 -3.683 11.914 -6.894 1.00 2.05 H new ATOM 0 HD12 LEU A 96 -3.358 10.458 -5.923 1.00 2.05 H new ATOM 0 HD13 LEU A 96 -3.589 12.029 -5.120 1.00 2.05 H new ATOM 0 HD21 LEU A 96 -1.944 13.644 -7.159 1.00 2.31 H new ATOM 0 HD22 LEU A 96 -1.782 13.822 -5.395 1.00 2.31 H new ATOM 0 HD23 LEU A 96 -0.353 13.447 -6.387 1.00 2.31 H new ATOM 667 N GLY A 97 1.951 11.005 -2.966 1.00 0.59 N ATOM 668 CA GLY A 97 2.647 10.175 -2.005 1.00 0.57 C ATOM 669 C GLY A 97 2.233 10.465 -0.577 1.00 0.52 C ATOM 670 O GLY A 97 1.368 11.311 -0.331 1.00 0.55 O ATOM 0 H GLY A 97 2.107 12.007 -2.859 1.00 0.59 H new ATOM 0 HA2 GLY A 97 2.454 9.126 -2.229 1.00 0.57 H new ATOM 0 HA3 GLY A 97 3.721 10.330 -2.107 1.00 0.57 H new ATOM 674 N VAL A 98 2.836 9.753 0.366 1.00 0.48 N ATOM 675 CA VAL A 98 2.609 10.011 1.779 1.00 0.46 C ATOM 676 C VAL A 98 3.770 10.819 2.349 1.00 0.47 C ATOM 677 O VAL A 98 4.899 10.342 2.455 1.00 0.67 O ATOM 678 CB VAL A 98 2.394 8.712 2.592 1.00 0.47 C ATOM 679 CG1 VAL A 98 1.084 8.053 2.192 1.00 0.49 C ATOM 680 CG2 VAL A 98 3.550 7.739 2.412 1.00 0.53 C ATOM 0 H VAL A 98 3.487 8.991 0.176 1.00 0.48 H new ATOM 0 HA VAL A 98 1.688 10.587 1.865 1.00 0.46 H new ATOM 0 HB VAL A 98 2.351 8.984 3.647 1.00 0.47 H new ATOM 0 HG11 VAL A 98 0.944 7.140 2.771 1.00 0.49 H new ATOM 0 HG12 VAL A 98 0.258 8.737 2.388 1.00 0.49 H new ATOM 0 HG13 VAL A 98 1.109 7.809 1.130 1.00 0.49 H new ATOM 0 HG21 VAL A 98 3.363 6.839 2.998 1.00 0.53 H new ATOM 0 HG22 VAL A 98 3.642 7.474 1.359 1.00 0.53 H new ATOM 0 HG23 VAL A 98 4.475 8.206 2.750 1.00 0.53 H new ATOM 690 N TRP A 99 3.476 12.049 2.719 1.00 0.38 N ATOM 691 CA TRP A 99 4.501 13.016 3.065 1.00 0.39 C ATOM 692 C TRP A 99 4.966 12.827 4.503 1.00 0.35 C ATOM 693 O TRP A 99 4.201 13.038 5.445 1.00 0.38 O ATOM 694 CB TRP A 99 3.952 14.435 2.861 1.00 0.44 C ATOM 695 CG TRP A 99 3.262 14.614 1.538 1.00 0.50 C ATOM 696 CD1 TRP A 99 1.954 14.342 1.255 1.00 0.66 C ATOM 697 CD2 TRP A 99 3.844 15.092 0.319 1.00 0.62 C ATOM 698 NE1 TRP A 99 1.689 14.611 -0.065 1.00 0.69 N ATOM 699 CE2 TRP A 99 2.831 15.076 -0.661 1.00 0.66 C ATOM 700 CE3 TRP A 99 5.119 15.533 -0.043 1.00 0.88 C ATOM 701 CZ2 TRP A 99 3.057 15.478 -1.974 1.00 0.82 C ATOM 702 CZ3 TRP A 99 5.340 15.934 -1.345 1.00 1.13 C ATOM 703 CH2 TRP A 99 4.315 15.903 -2.297 1.00 1.06 C ATOM 0 H TRP A 99 2.523 12.407 2.789 1.00 0.38 H new ATOM 0 HA TRP A 99 5.362 12.864 2.415 1.00 0.39 H new ATOM 0 HB2 TRP A 99 3.252 14.666 3.664 1.00 0.44 H new ATOM 0 HB3 TRP A 99 4.771 15.150 2.937 1.00 0.44 H new ATOM 0 HD1 TRP A 99 1.232 13.969 1.967 1.00 0.66 H new ATOM 0 HE1 TRP A 99 0.788 14.485 -0.527 1.00 0.69 H new ATOM 0 HE3 TRP A 99 5.918 15.560 0.683 1.00 0.88 H new ATOM 0 HZ2 TRP A 99 2.267 15.455 -2.710 1.00 0.82 H new ATOM 0 HZ3 TRP A 99 6.322 16.278 -1.634 1.00 1.13 H new ATOM 0 HH2 TRP A 99 4.522 16.222 -3.308 1.00 1.06 H new ATOM 714 N ALA A 100 6.214 12.397 4.660 1.00 0.39 N ATOM 715 CA ALA A 100 6.811 12.259 5.979 1.00 0.42 C ATOM 716 C ALA A 100 6.971 13.630 6.615 1.00 0.43 C ATOM 717 O ALA A 100 7.734 14.458 6.125 1.00 0.49 O ATOM 718 CB ALA A 100 8.165 11.555 5.888 1.00 0.54 C ATOM 0 H ALA A 100 6.830 12.139 3.889 1.00 0.39 H new ATOM 0 HA ALA A 100 6.153 11.651 6.600 1.00 0.42 H new ATOM 0 HB1 ALA A 100 8.594 11.462 6.885 1.00 0.54 H new ATOM 0 HB2 ALA A 100 8.031 10.563 5.457 1.00 0.54 H new ATOM 0 HB3 ALA A 100 8.836 12.137 5.257 1.00 0.54 H new ATOM 724 N LYS A 101 6.250 13.874 7.702 1.00 0.47 N ATOM 725 CA LYS A 101 6.327 15.163 8.378 1.00 0.57 C ATOM 726 C LYS A 101 7.320 15.076 9.524 1.00 0.56 C ATOM 727 O LYS A 101 7.529 16.035 10.266 1.00 0.63 O ATOM 728 CB LYS A 101 4.954 15.625 8.893 1.00 0.69 C ATOM 729 CG LYS A 101 4.445 14.879 10.118 1.00 1.17 C ATOM 730 CD LYS A 101 3.699 13.618 9.732 1.00 0.84 C ATOM 731 CE LYS A 101 2.368 13.920 9.077 1.00 0.88 C ATOM 732 NZ LYS A 101 1.509 14.817 9.894 1.00 1.68 N ATOM 0 H LYS A 101 5.612 13.204 8.131 1.00 0.47 H new ATOM 0 HA LYS A 101 6.665 15.905 7.654 1.00 0.57 H new ATOM 0 HB2 LYS A 101 5.010 16.687 9.130 1.00 0.69 H new ATOM 0 HB3 LYS A 101 4.225 15.515 8.090 1.00 0.69 H new ATOM 0 HG2 LYS A 101 5.285 14.623 10.764 1.00 1.17 H new ATOM 0 HG3 LYS A 101 3.787 15.530 10.694 1.00 1.17 H new ATOM 0 HD2 LYS A 101 4.312 13.029 9.050 1.00 0.84 H new ATOM 0 HD3 LYS A 101 3.535 13.008 10.621 1.00 0.84 H new ATOM 0 HE2 LYS A 101 2.544 14.381 8.105 1.00 0.88 H new ATOM 0 HE3 LYS A 101 1.838 12.985 8.895 1.00 0.88 H new ATOM 0 HZ1 LYS A 101 0.527 14.761 9.555 1.00 1.68 H new ATOM 0 HZ2 LYS A 101 1.548 14.522 10.891 1.00 1.68 H new ATOM 0 HZ3 LYS A 101 1.850 15.796 9.809 1.00 1.68 H new ATOM 746 N ARG A 102 7.927 13.911 9.647 1.00 0.54 N ATOM 747 CA ARG A 102 8.931 13.672 10.658 1.00 0.58 C ATOM 748 C ARG A 102 10.201 13.160 9.992 1.00 0.54 C ATOM 749 O ARG A 102 10.151 12.582 8.906 1.00 0.54 O ATOM 750 CB ARG A 102 8.421 12.655 11.683 1.00 0.72 C ATOM 751 CG ARG A 102 9.410 12.380 12.800 1.00 0.83 C ATOM 752 CD ARG A 102 8.934 11.265 13.710 1.00 1.16 C ATOM 753 NE ARG A 102 7.818 11.678 14.563 1.00 1.80 N ATOM 754 CZ ARG A 102 7.009 10.828 15.195 1.00 2.52 C ATOM 755 NH1 ARG A 102 7.109 9.526 14.973 1.00 2.75 N ATOM 756 NH2 ARG A 102 6.072 11.284 16.018 1.00 3.50 N ATOM 0 H ARG A 102 7.736 13.107 9.049 1.00 0.54 H new ATOM 0 HA ARG A 102 9.147 14.604 11.180 1.00 0.58 H new ATOM 0 HB2 ARG A 102 7.489 13.021 12.114 1.00 0.72 H new ATOM 0 HB3 ARG A 102 8.191 11.720 11.173 1.00 0.72 H new ATOM 0 HG2 ARG A 102 10.376 12.113 12.372 1.00 0.83 H new ATOM 0 HG3 ARG A 102 9.560 13.288 13.385 1.00 0.83 H new ATOM 0 HD2 ARG A 102 8.629 10.411 13.105 1.00 1.16 H new ATOM 0 HD3 ARG A 102 9.762 10.932 14.336 1.00 1.16 H new ATOM 0 HE ARG A 102 7.649 12.677 14.681 1.00 1.80 H new ATOM 0 HH11 ARG A 102 7.806 9.172 14.318 1.00 2.75 H new ATOM 0 HH12 ARG A 102 6.489 8.877 15.458 1.00 2.75 H new ATOM 0 HH21 ARG A 102 5.970 12.288 16.168 1.00 3.50 H new ATOM 0 HH22 ARG A 102 5.455 10.631 16.500 1.00 3.50 H new ATOM 770 N LYS A 103 11.329 13.381 10.642 1.00 0.59 N ATOM 771 CA LYS A 103 12.612 12.949 10.111 1.00 0.63 C ATOM 772 C LYS A 103 12.878 11.513 10.535 1.00 0.68 C ATOM 773 O LYS A 103 12.347 11.049 11.547 1.00 0.82 O ATOM 774 CB LYS A 103 13.752 13.876 10.583 1.00 0.73 C ATOM 775 CG LYS A 103 14.182 13.678 12.036 1.00 0.98 C ATOM 776 CD LYS A 103 13.049 13.943 13.016 1.00 1.17 C ATOM 777 CE LYS A 103 12.661 15.417 13.057 1.00 2.05 C ATOM 778 NZ LYS A 103 13.770 16.275 13.552 1.00 2.40 N ATOM 0 H LYS A 103 11.384 13.859 11.542 1.00 0.59 H new ATOM 0 HA LYS A 103 12.576 13.002 9.023 1.00 0.63 H new ATOM 0 HB2 LYS A 103 14.617 13.721 9.939 1.00 0.73 H new ATOM 0 HB3 LYS A 103 13.438 14.911 10.450 1.00 0.73 H new ATOM 0 HG2 LYS A 103 14.544 12.658 12.170 1.00 0.98 H new ATOM 0 HG3 LYS A 103 15.016 14.344 12.260 1.00 0.98 H new ATOM 0 HD2 LYS A 103 12.180 13.347 12.735 1.00 1.17 H new ATOM 0 HD3 LYS A 103 13.349 13.619 14.013 1.00 1.17 H new ATOM 0 HE2 LYS A 103 12.370 15.742 12.058 1.00 2.05 H new ATOM 0 HE3 LYS A 103 11.790 15.544 13.700 1.00 2.05 H new ATOM 0 HZ1 LYS A 103 13.397 17.213 13.805 1.00 2.40 H new ATOM 0 HZ2 LYS A 103 14.201 15.836 14.391 1.00 2.40 H new ATOM 0 HZ3 LYS A 103 14.489 16.377 12.807 1.00 2.40 H new ATOM 792 N MET A 104 13.683 10.812 9.764 1.00 0.73 N ATOM 793 CA MET A 104 13.960 9.411 10.035 1.00 0.83 C ATOM 794 C MET A 104 15.452 9.142 9.999 1.00 0.87 C ATOM 795 O MET A 104 16.185 9.796 9.264 1.00 0.93 O ATOM 796 CB MET A 104 13.222 8.529 9.028 1.00 0.85 C ATOM 797 CG MET A 104 11.746 8.366 9.347 1.00 0.97 C ATOM 798 SD MET A 104 10.827 7.562 8.024 1.00 1.22 S ATOM 799 CE MET A 104 10.930 8.820 6.753 1.00 0.92 C ATOM 0 H MET A 104 14.159 11.187 8.943 1.00 0.73 H new ATOM 0 HA MET A 104 13.602 9.170 11.036 1.00 0.83 H new ATOM 0 HB2 MET A 104 13.327 8.959 8.032 1.00 0.85 H new ATOM 0 HB3 MET A 104 13.692 7.546 9.002 1.00 0.85 H new ATOM 0 HG2 MET A 104 11.640 7.784 10.262 1.00 0.97 H new ATOM 0 HG3 MET A 104 11.311 9.346 9.541 1.00 0.97 H new ATOM 0 HE1 MET A 104 9.931 9.041 6.378 1.00 0.92 H new ATOM 0 HE2 MET A 104 11.368 9.726 7.172 1.00 0.92 H new ATOM 0 HE3 MET A 104 11.554 8.460 5.935 1.00 0.92 H new ATOM 809 N GLU A 105 15.889 8.199 10.820 1.00 0.90 N ATOM 810 CA GLU A 105 17.290 7.819 10.880 1.00 0.93 C ATOM 811 C GLU A 105 17.460 6.429 10.288 1.00 0.89 C ATOM 812 O GLU A 105 16.611 5.555 10.496 1.00 1.13 O ATOM 813 CB GLU A 105 17.786 7.818 12.327 1.00 1.08 C ATOM 814 CG GLU A 105 17.435 9.073 13.114 1.00 1.64 C ATOM 815 CD GLU A 105 18.040 10.340 12.543 1.00 1.94 C ATOM 816 OE1 GLU A 105 17.405 11.411 12.636 1.00 2.25 O ATOM 817 OE2 GLU A 105 19.147 10.260 11.965 1.00 2.31 O ATOM 0 H GLU A 105 15.287 7.680 11.459 1.00 0.90 H new ATOM 0 HA GLU A 105 17.874 8.542 10.310 1.00 0.93 H new ATOM 0 HB2 GLU A 105 17.367 6.953 12.841 1.00 1.08 H new ATOM 0 HB3 GLU A 105 18.869 7.695 12.327 1.00 1.08 H new ATOM 0 HG2 GLU A 105 16.351 9.181 13.145 1.00 1.64 H new ATOM 0 HG3 GLU A 105 17.772 8.952 14.143 1.00 1.64 H new ATOM 824 N ALA A 106 18.575 6.233 9.584 1.00 0.78 N ATOM 825 CA ALA A 106 18.854 4.993 8.859 1.00 0.78 C ATOM 826 C ALA A 106 18.571 3.750 9.699 1.00 0.76 C ATOM 827 O ALA A 106 19.017 3.640 10.844 1.00 0.78 O ATOM 828 CB ALA A 106 20.297 4.983 8.388 1.00 0.84 C ATOM 0 H ALA A 106 19.313 6.932 9.500 1.00 0.78 H new ATOM 0 HA ALA A 106 18.183 4.962 8.000 1.00 0.78 H new ATOM 0 HB1 ALA A 106 20.497 4.057 7.849 1.00 0.84 H new ATOM 0 HB2 ALA A 106 20.470 5.832 7.727 1.00 0.84 H new ATOM 0 HB3 ALA A 106 20.961 5.053 9.249 1.00 0.84 H new ATOM 834 N GLY A 107 17.829 2.822 9.116 1.00 0.83 N ATOM 835 CA GLY A 107 17.453 1.609 9.814 1.00 0.91 C ATOM 836 C GLY A 107 15.953 1.523 9.990 1.00 0.87 C ATOM 837 O GLY A 107 15.445 0.636 10.681 1.00 1.04 O ATOM 0 H GLY A 107 17.477 2.888 8.161 1.00 0.83 H new ATOM 0 HA2 GLY A 107 17.807 0.741 9.257 1.00 0.91 H new ATOM 0 HA3 GLY A 107 17.939 1.582 10.789 1.00 0.91 H new ATOM 841 N GLU A 108 15.254 2.452 9.361 1.00 0.71 N ATOM 842 CA GLU A 108 13.810 2.568 9.478 1.00 0.74 C ATOM 843 C GLU A 108 13.090 1.542 8.601 1.00 0.61 C ATOM 844 O GLU A 108 13.684 0.949 7.694 1.00 0.61 O ATOM 845 CB GLU A 108 13.356 3.988 9.110 1.00 0.87 C ATOM 846 CG GLU A 108 13.780 4.455 7.718 1.00 0.85 C ATOM 847 CD GLU A 108 15.227 4.906 7.637 1.00 1.78 C ATOM 848 OE1 GLU A 108 16.115 4.041 7.456 1.00 2.62 O ATOM 849 OE2 GLU A 108 15.475 6.120 7.743 1.00 2.13 O ATOM 0 H GLU A 108 15.675 3.152 8.750 1.00 0.71 H new ATOM 0 HA GLU A 108 13.546 2.366 10.516 1.00 0.74 H new ATOM 0 HB2 GLU A 108 12.269 4.036 9.179 1.00 0.87 H new ATOM 0 HB3 GLU A 108 13.753 4.684 9.848 1.00 0.87 H new ATOM 0 HG2 GLU A 108 13.622 3.642 7.009 1.00 0.85 H new ATOM 0 HG3 GLU A 108 13.135 5.278 7.409 1.00 0.85 H new ATOM 856 N ARG A 109 11.815 1.325 8.893 1.00 0.63 N ATOM 857 CA ARG A 109 11.003 0.378 8.145 1.00 0.56 C ATOM 858 C ARG A 109 9.550 0.847 8.069 1.00 0.46 C ATOM 859 O ARG A 109 8.940 1.167 9.090 1.00 0.55 O ATOM 860 CB ARG A 109 11.102 -1.011 8.799 1.00 0.73 C ATOM 861 CG ARG A 109 10.093 -2.031 8.288 1.00 0.80 C ATOM 862 CD ARG A 109 8.821 -2.030 9.127 1.00 1.22 C ATOM 863 NE ARG A 109 9.082 -2.355 10.529 1.00 2.02 N ATOM 864 CZ ARG A 109 8.747 -1.570 11.558 1.00 2.71 C ATOM 865 NH1 ARG A 109 8.213 -0.371 11.345 1.00 2.91 N ATOM 866 NH2 ARG A 109 8.974 -1.975 12.801 1.00 3.62 N ATOM 0 H ARG A 109 11.318 1.797 9.649 1.00 0.63 H new ATOM 0 HA ARG A 109 11.379 0.315 7.124 1.00 0.56 H new ATOM 0 HB2 ARG A 109 12.106 -1.402 8.638 1.00 0.73 H new ATOM 0 HB3 ARG A 109 10.972 -0.900 9.876 1.00 0.73 H new ATOM 0 HG2 ARG A 109 9.845 -1.810 7.250 1.00 0.80 H new ATOM 0 HG3 ARG A 109 10.540 -3.025 8.304 1.00 0.80 H new ATOM 0 HD2 ARG A 109 8.348 -1.050 9.065 1.00 1.22 H new ATOM 0 HD3 ARG A 109 8.115 -2.751 8.714 1.00 1.22 H new ATOM 0 HE ARG A 109 9.550 -3.238 10.735 1.00 2.02 H new ATOM 0 HH11 ARG A 109 8.056 -0.045 10.391 1.00 2.91 H new ATOM 0 HH12 ARG A 109 7.960 0.222 12.135 1.00 2.91 H new ATOM 0 HH21 ARG A 109 9.404 -2.884 12.971 1.00 3.62 H new ATOM 0 HH22 ARG A 109 8.719 -1.377 13.587 1.00 3.62 H new ATOM 880 N LEU A 110 9.000 0.892 6.863 1.00 0.38 N ATOM 881 CA LEU A 110 7.589 1.209 6.685 1.00 0.39 C ATOM 882 C LEU A 110 6.838 -0.074 6.345 1.00 0.49 C ATOM 883 O LEU A 110 7.401 -0.977 5.717 1.00 0.53 O ATOM 884 CB LEU A 110 7.356 2.232 5.557 1.00 0.35 C ATOM 885 CG LEU A 110 8.396 3.343 5.378 1.00 0.35 C ATOM 886 CD1 LEU A 110 7.842 4.416 4.445 1.00 0.39 C ATOM 887 CD2 LEU A 110 8.801 3.954 6.710 1.00 0.41 C ATOM 0 H LEU A 110 9.507 0.714 5.996 1.00 0.38 H new ATOM 0 HA LEU A 110 7.227 1.649 7.614 1.00 0.39 H new ATOM 0 HB2 LEU A 110 7.285 1.685 4.617 1.00 0.35 H new ATOM 0 HB3 LEU A 110 6.388 2.703 5.726 1.00 0.35 H new ATOM 0 HG LEU A 110 9.291 2.904 4.937 1.00 0.35 H new ATOM 0 HD11 LEU A 110 8.583 5.206 4.318 1.00 0.39 H new ATOM 0 HD12 LEU A 110 7.615 3.973 3.475 1.00 0.39 H new ATOM 0 HD13 LEU A 110 6.933 4.837 4.874 1.00 0.39 H new ATOM 0 HD21 LEU A 110 9.540 4.738 6.541 1.00 0.41 H new ATOM 0 HD22 LEU A 110 7.924 4.381 7.196 1.00 0.41 H new ATOM 0 HD23 LEU A 110 9.230 3.182 7.349 1.00 0.41 H new ATOM 899 N GLY A 111 5.585 -0.163 6.757 1.00 0.61 N ATOM 900 CA GLY A 111 4.790 -1.333 6.447 1.00 0.77 C ATOM 901 C GLY A 111 4.114 -1.906 7.674 1.00 0.88 C ATOM 902 O GLY A 111 3.822 -1.167 8.615 1.00 1.02 O ATOM 0 H GLY A 111 5.103 0.553 7.300 1.00 0.61 H new ATOM 0 HA2 GLY A 111 4.034 -1.071 5.707 1.00 0.77 H new ATOM 0 HA3 GLY A 111 5.427 -2.094 5.996 1.00 0.77 H new ATOM 906 N PRO A 112 3.853 -3.222 7.711 1.00 1.23 N ATOM 907 CA PRO A 112 4.190 -4.154 6.625 1.00 1.24 C ATOM 908 C PRO A 112 3.162 -4.140 5.498 1.00 1.05 C ATOM 909 O PRO A 112 1.964 -4.037 5.744 1.00 1.19 O ATOM 910 CB PRO A 112 4.164 -5.507 7.332 1.00 1.78 C ATOM 911 CG PRO A 112 3.136 -5.349 8.399 1.00 2.10 C ATOM 912 CD PRO A 112 3.201 -3.910 8.839 1.00 1.83 C ATOM 0 HA PRO A 112 5.138 -3.904 6.148 1.00 1.24 H new ATOM 0 HB2 PRO A 112 3.901 -6.310 6.643 1.00 1.78 H new ATOM 0 HB3 PRO A 112 5.139 -5.754 7.753 1.00 1.78 H new ATOM 0 HG2 PRO A 112 2.143 -5.596 8.022 1.00 2.10 H new ATOM 0 HG3 PRO A 112 3.336 -6.020 9.234 1.00 2.10 H new ATOM 0 HD2 PRO A 112 2.207 -3.506 9.032 1.00 1.83 H new ATOM 0 HD3 PRO A 112 3.774 -3.799 9.759 1.00 1.83 H new ATOM 920 N CYS A 113 3.643 -4.254 4.265 1.00 1.00 N ATOM 921 CA CYS A 113 2.762 -4.297 3.106 1.00 1.00 C ATOM 922 C CYS A 113 2.043 -5.636 3.056 1.00 1.17 C ATOM 923 O CYS A 113 0.943 -5.748 2.520 1.00 1.67 O ATOM 924 CB CYS A 113 3.562 -4.090 1.823 1.00 1.05 C ATOM 925 SG CYS A 113 4.730 -2.720 1.903 1.00 2.00 S ATOM 0 H CYS A 113 4.637 -4.318 4.043 1.00 1.00 H new ATOM 0 HA CYS A 113 2.028 -3.496 3.193 1.00 1.00 H new ATOM 0 HB2 CYS A 113 4.107 -5.006 1.594 1.00 1.05 H new ATOM 0 HB3 CYS A 113 2.870 -3.917 0.999 1.00 1.05 H new ATOM 0 HG CYS A 113 4.963 -2.278 0.703 1.00 2.00 H new ATOM 1692 N GLY A 166 0.172 -1.933 3.041 1.00 1.30 N ATOM 1693 CA GLY A 166 1.078 -1.214 2.172 1.00 1.24 C ATOM 1694 C GLY A 166 0.348 -0.492 1.058 1.00 1.03 C ATOM 1695 O GLY A 166 0.962 -0.042 0.091 1.00 1.05 O ATOM 0 HA2 GLY A 166 1.647 -0.493 2.759 1.00 1.24 H new ATOM 0 HA3 GLY A 166 1.796 -1.912 1.741 1.00 1.24 H new ATOM 1699 N SER A 167 -0.964 -0.373 1.196 1.00 0.98 N ATOM 1700 CA SER A 167 -1.782 0.325 0.215 1.00 0.99 C ATOM 1701 C SER A 167 -1.472 1.818 0.247 1.00 0.78 C ATOM 1702 O SER A 167 -1.657 2.530 -0.737 1.00 0.86 O ATOM 1703 CB SER A 167 -3.268 0.074 0.490 1.00 1.17 C ATOM 1704 OG SER A 167 -4.082 0.608 -0.541 1.00 1.82 O ATOM 0 H SER A 167 -1.488 -0.754 1.984 1.00 0.98 H new ATOM 0 HA SER A 167 -1.549 -0.056 -0.779 1.00 0.99 H new ATOM 0 HB2 SER A 167 -3.447 -0.997 0.579 1.00 1.17 H new ATOM 0 HB3 SER A 167 -3.544 0.524 1.444 1.00 1.17 H new ATOM 0 HG SER A 167 -5.024 0.431 -0.339 1.00 1.82 H new ATOM 1710 N TRP A 168 -0.984 2.281 1.388 1.00 0.62 N ATOM 1711 CA TRP A 168 -0.557 3.665 1.531 1.00 0.51 C ATOM 1712 C TRP A 168 0.881 3.816 1.047 1.00 0.42 C ATOM 1713 O TRP A 168 1.338 4.916 0.733 1.00 0.43 O ATOM 1714 CB TRP A 168 -0.671 4.108 2.992 1.00 0.56 C ATOM 1715 CG TRP A 168 0.193 3.317 3.930 1.00 0.55 C ATOM 1716 CD1 TRP A 168 -0.048 2.061 4.408 1.00 0.69 C ATOM 1717 CD2 TRP A 168 1.435 3.734 4.506 1.00 0.49 C ATOM 1718 NE1 TRP A 168 0.978 1.666 5.230 1.00 0.70 N ATOM 1719 CE2 TRP A 168 1.898 2.676 5.311 1.00 0.56 C ATOM 1720 CE3 TRP A 168 2.205 4.895 4.414 1.00 0.49 C ATOM 1721 CZ2 TRP A 168 3.095 2.746 6.019 1.00 0.55 C ATOM 1722 CZ3 TRP A 168 3.393 4.967 5.119 1.00 0.51 C ATOM 1723 CH2 TRP A 168 3.828 3.898 5.912 1.00 0.50 C ATOM 0 H TRP A 168 -0.874 1.717 2.231 1.00 0.62 H new ATOM 0 HA TRP A 168 -1.205 4.298 0.925 1.00 0.51 H new ATOM 0 HB2 TRP A 168 -0.402 5.162 3.065 1.00 0.56 H new ATOM 0 HB3 TRP A 168 -1.710 4.022 3.309 1.00 0.56 H new ATOM 0 HD1 TRP A 168 -0.918 1.466 4.174 1.00 0.69 H new ATOM 0 HE1 TRP A 168 1.044 0.765 5.704 1.00 0.70 H new ATOM 0 HE3 TRP A 168 1.879 5.723 3.803 1.00 0.49 H new ATOM 0 HZ2 TRP A 168 3.433 1.922 6.630 1.00 0.55 H new ATOM 0 HZ3 TRP A 168 3.995 5.862 5.057 1.00 0.51 H new ATOM 0 HH2 TRP A 168 4.760 3.984 6.450 1.00 0.50 H new ATOM 1734 N LEU A 169 1.582 2.695 0.972 1.00 0.41 N ATOM 1735 CA LEU A 169 2.990 2.684 0.602 1.00 0.38 C ATOM 1736 C LEU A 169 3.167 2.692 -0.906 1.00 0.39 C ATOM 1737 O LEU A 169 4.222 3.065 -1.409 1.00 0.41 O ATOM 1738 CB LEU A 169 3.690 1.473 1.213 1.00 0.44 C ATOM 1739 CG LEU A 169 4.036 1.603 2.695 1.00 0.46 C ATOM 1740 CD1 LEU A 169 4.584 0.294 3.233 1.00 0.66 C ATOM 1741 CD2 LEU A 169 5.042 2.722 2.905 1.00 0.55 C ATOM 0 H LEU A 169 1.194 1.772 1.165 1.00 0.41 H new ATOM 0 HA LEU A 169 3.446 3.592 0.996 1.00 0.38 H new ATOM 0 HB2 LEU A 169 3.052 0.599 1.080 1.00 0.44 H new ATOM 0 HB3 LEU A 169 4.608 1.285 0.657 1.00 0.44 H new ATOM 0 HG LEU A 169 3.124 1.845 3.241 1.00 0.46 H new ATOM 0 HD11 LEU A 169 4.824 0.407 4.290 1.00 0.66 H new ATOM 0 HD12 LEU A 169 3.836 -0.490 3.113 1.00 0.66 H new ATOM 0 HD13 LEU A 169 5.485 0.023 2.683 1.00 0.66 H new ATOM 0 HD21 LEU A 169 5.280 2.803 3.966 1.00 0.55 H new ATOM 0 HD22 LEU A 169 5.951 2.503 2.345 1.00 0.55 H new ATOM 0 HD23 LEU A 169 4.618 3.663 2.555 1.00 0.55 H new ATOM 1753 N LYS A 170 2.134 2.296 -1.636 1.00 0.44 N ATOM 1754 CA LYS A 170 2.197 2.337 -3.088 1.00 0.52 C ATOM 1755 C LYS A 170 2.031 3.771 -3.583 1.00 0.50 C ATOM 1756 O LYS A 170 2.153 4.047 -4.776 1.00 0.61 O ATOM 1757 CB LYS A 170 1.150 1.398 -3.719 1.00 0.66 C ATOM 1758 CG LYS A 170 -0.304 1.690 -3.348 1.00 0.74 C ATOM 1759 CD LYS A 170 -0.861 2.921 -4.059 1.00 0.83 C ATOM 1760 CE LYS A 170 -0.882 2.747 -5.570 1.00 1.15 C ATOM 1761 NZ LYS A 170 -1.376 3.964 -6.266 1.00 1.48 N ATOM 0 H LYS A 170 1.255 1.948 -1.253 1.00 0.44 H new ATOM 0 HA LYS A 170 3.178 1.980 -3.401 1.00 0.52 H new ATOM 0 HB2 LYS A 170 1.248 1.450 -4.803 1.00 0.66 H new ATOM 0 HB3 LYS A 170 1.383 0.374 -3.427 1.00 0.66 H new ATOM 0 HG2 LYS A 170 -0.918 0.824 -3.596 1.00 0.74 H new ATOM 0 HG3 LYS A 170 -0.377 1.835 -2.270 1.00 0.74 H new ATOM 0 HD2 LYS A 170 -1.872 3.118 -3.703 1.00 0.83 H new ATOM 0 HD3 LYS A 170 -0.257 3.792 -3.803 1.00 0.83 H new ATOM 0 HE2 LYS A 170 0.123 2.512 -5.921 1.00 1.15 H new ATOM 0 HE3 LYS A 170 -1.517 1.899 -5.828 1.00 1.15 H new ATOM 0 HZ1 LYS A 170 -1.374 3.801 -7.293 1.00 1.48 H new ATOM 0 HZ2 LYS A 170 -2.344 4.175 -5.951 1.00 1.48 H new ATOM 0 HZ3 LYS A 170 -0.756 4.768 -6.041 1.00 1.48 H new ATOM 1775 N TYR A 171 1.738 4.677 -2.655 1.00 0.45 N ATOM 1776 CA TYR A 171 1.600 6.083 -2.984 1.00 0.52 C ATOM 1777 C TYR A 171 2.968 6.717 -3.198 1.00 0.53 C ATOM 1778 O TYR A 171 3.140 7.548 -4.087 1.00 0.68 O ATOM 1779 CB TYR A 171 0.826 6.825 -1.891 1.00 0.56 C ATOM 1780 CG TYR A 171 -0.678 6.691 -2.015 1.00 0.85 C ATOM 1781 CD1 TYR A 171 -1.437 7.668 -2.643 1.00 1.12 C ATOM 1782 CD2 TYR A 171 -1.336 5.580 -1.503 1.00 1.03 C ATOM 1783 CE1 TYR A 171 -2.810 7.543 -2.755 1.00 1.44 C ATOM 1784 CE2 TYR A 171 -2.708 5.447 -1.611 1.00 1.42 C ATOM 1785 CZ TYR A 171 -3.442 6.461 -2.249 1.00 1.58 C ATOM 1786 OH TYR A 171 -4.809 6.298 -2.351 1.00 1.97 O ATOM 0 H TYR A 171 1.592 4.458 -1.670 1.00 0.45 H new ATOM 0 HA TYR A 171 1.034 6.162 -3.912 1.00 0.52 H new ATOM 0 HB2 TYR A 171 1.137 6.447 -0.917 1.00 0.56 H new ATOM 0 HB3 TYR A 171 1.092 7.882 -1.923 1.00 0.56 H new ATOM 0 HD1 TYR A 171 -0.948 8.540 -3.051 1.00 1.12 H new ATOM 0 HD2 TYR A 171 -0.765 4.806 -1.012 1.00 1.03 H new ATOM 0 HE1 TYR A 171 -3.381 8.315 -3.250 1.00 1.44 H new ATOM 0 HE2 TYR A 171 -3.208 4.577 -1.211 1.00 1.42 H new ATOM 0 HH TYR A 171 -5.071 5.455 -1.926 1.00 1.97 H new ATOM 1796 N ILE A 172 3.947 6.307 -2.403 1.00 0.43 N ATOM 1797 CA ILE A 172 5.312 6.770 -2.602 1.00 0.46 C ATOM 1798 C ILE A 172 5.860 6.185 -3.897 1.00 0.56 C ATOM 1799 O ILE A 172 5.907 4.965 -4.066 1.00 0.67 O ATOM 1800 CB ILE A 172 6.240 6.410 -1.415 1.00 0.42 C ATOM 1801 CG1 ILE A 172 5.483 5.599 -0.353 1.00 0.42 C ATOM 1802 CG2 ILE A 172 6.841 7.671 -0.819 1.00 0.57 C ATOM 1803 CD1 ILE A 172 6.139 5.580 1.017 1.00 0.54 C ATOM 0 H ILE A 172 3.823 5.662 -1.623 1.00 0.43 H new ATOM 0 HA ILE A 172 5.288 7.858 -2.663 1.00 0.46 H new ATOM 0 HB ILE A 172 7.053 5.786 -1.786 1.00 0.42 H new ATOM 0 HG12 ILE A 172 4.477 6.006 -0.254 1.00 0.42 H new ATOM 0 HG13 ILE A 172 5.378 4.573 -0.705 1.00 0.42 H new ATOM 0 HG21 ILE A 172 7.491 7.405 0.014 1.00 0.57 H new ATOM 0 HG22 ILE A 172 7.421 8.192 -1.580 1.00 0.57 H new ATOM 0 HG23 ILE A 172 6.042 8.322 -0.463 1.00 0.57 H new ATOM 0 HD11 ILE A 172 5.535 4.984 1.701 1.00 0.54 H new ATOM 0 HD12 ILE A 172 7.135 5.143 0.938 1.00 0.54 H new ATOM 0 HD13 ILE A 172 6.219 6.599 1.396 1.00 0.54 H new ATOM 1815 N ARG A 173 6.231 7.052 -4.828 1.00 0.71 N ATOM 1816 CA ARG A 173 6.675 6.604 -6.140 1.00 0.92 C ATOM 1817 C ARG A 173 8.162 6.866 -6.327 1.00 0.69 C ATOM 1818 O ARG A 173 8.845 7.268 -5.390 1.00 0.61 O ATOM 1819 CB ARG A 173 5.883 7.292 -7.257 1.00 1.38 C ATOM 1820 CG ARG A 173 4.371 7.159 -7.127 1.00 1.82 C ATOM 1821 CD ARG A 173 3.941 5.722 -6.868 1.00 2.22 C ATOM 1822 NE ARG A 173 4.469 4.788 -7.861 1.00 2.79 N ATOM 1823 CZ ARG A 173 4.267 3.472 -7.818 1.00 3.52 C ATOM 1824 NH1 ARG A 173 3.514 2.941 -6.864 1.00 3.84 N ATOM 1825 NH2 ARG A 173 4.811 2.685 -8.734 1.00 4.34 N ATOM 0 H ARG A 173 6.234 8.064 -4.701 1.00 0.71 H new ATOM 0 HA ARG A 173 6.495 5.530 -6.197 1.00 0.92 H new ATOM 0 HB2 ARG A 173 6.143 8.350 -7.272 1.00 1.38 H new ATOM 0 HB3 ARG A 173 6.192 6.875 -8.215 1.00 1.38 H new ATOM 0 HG2 ARG A 173 4.021 7.794 -6.313 1.00 1.82 H new ATOM 0 HG3 ARG A 173 3.896 7.520 -8.039 1.00 1.82 H new ATOM 0 HD2 ARG A 173 4.277 5.420 -5.876 1.00 2.22 H new ATOM 0 HD3 ARG A 173 2.852 5.667 -6.866 1.00 2.22 H new ATOM 0 HE ARG A 173 5.023 5.165 -8.630 1.00 2.79 H new ATOM 0 HH11 ARG A 173 3.086 3.541 -6.159 1.00 3.84 H new ATOM 0 HH12 ARG A 173 3.363 1.933 -6.836 1.00 3.84 H new ATOM 0 HH21 ARG A 173 5.386 3.086 -9.475 1.00 4.34 H new ATOM 0 HH22 ARG A 173 4.655 1.678 -8.699 1.00 4.34 H new ATOM 1839 N VAL A 174 8.649 6.645 -7.544 1.00 0.70 N ATOM 1840 CA VAL A 174 10.067 6.804 -7.852 1.00 0.63 C ATOM 1841 C VAL A 174 10.477 8.278 -7.778 1.00 0.55 C ATOM 1842 O VAL A 174 9.666 9.169 -8.045 1.00 0.62 O ATOM 1843 CB VAL A 174 10.397 6.251 -9.259 1.00 0.73 C ATOM 1844 CG1 VAL A 174 11.902 6.221 -9.497 1.00 0.98 C ATOM 1845 CG2 VAL A 174 9.796 4.866 -9.454 1.00 1.07 C ATOM 0 H VAL A 174 8.079 6.353 -8.338 1.00 0.70 H new ATOM 0 HA VAL A 174 10.628 6.237 -7.109 1.00 0.63 H new ATOM 0 HB VAL A 174 9.951 6.923 -9.993 1.00 0.73 H new ATOM 0 HG11 VAL A 174 12.105 5.828 -10.493 1.00 0.98 H new ATOM 0 HG12 VAL A 174 12.303 7.231 -9.417 1.00 0.98 H new ATOM 0 HG13 VAL A 174 12.376 5.582 -8.752 1.00 0.98 H new ATOM 0 HG21 VAL A 174 10.042 4.500 -10.451 1.00 1.07 H new ATOM 0 HG22 VAL A 174 10.202 4.185 -8.706 1.00 1.07 H new ATOM 0 HG23 VAL A 174 8.713 4.921 -9.345 1.00 1.07 H new ATOM 1855 N ALA A 175 11.732 8.514 -7.404 1.00 0.53 N ATOM 1856 CA ALA A 175 12.279 9.863 -7.286 1.00 0.57 C ATOM 1857 C ALA A 175 12.137 10.638 -8.591 1.00 0.52 C ATOM 1858 O ALA A 175 12.564 10.176 -9.650 1.00 0.57 O ATOM 1859 CB ALA A 175 13.742 9.798 -6.876 1.00 0.71 C ATOM 0 H ALA A 175 12.398 7.776 -7.174 1.00 0.53 H new ATOM 0 HA ALA A 175 11.711 10.389 -6.519 1.00 0.57 H new ATOM 0 HB1 ALA A 175 14.141 10.809 -6.791 1.00 0.71 H new ATOM 0 HB2 ALA A 175 13.828 9.291 -5.915 1.00 0.71 H new ATOM 0 HB3 ALA A 175 14.307 9.247 -7.628 1.00 0.71 H new ATOM 1865 N CYS A 176 11.532 11.816 -8.502 1.00 0.62 N ATOM 1866 CA CYS A 176 11.331 12.672 -9.664 1.00 0.69 C ATOM 1867 C CYS A 176 12.654 13.290 -10.120 1.00 0.68 C ATOM 1868 O CYS A 176 12.770 13.778 -11.245 1.00 0.84 O ATOM 1869 CB CYS A 176 10.319 13.772 -9.333 1.00 0.85 C ATOM 1870 SG CYS A 176 9.872 14.817 -10.740 1.00 1.88 S ATOM 0 H CYS A 176 11.170 12.202 -7.630 1.00 0.62 H new ATOM 0 HA CYS A 176 10.942 12.062 -10.479 1.00 0.69 H new ATOM 0 HB2 CYS A 176 9.415 13.311 -8.936 1.00 0.85 H new ATOM 0 HB3 CYS A 176 10.729 14.401 -8.543 1.00 0.85 H new ATOM 0 HG CYS A 176 10.863 14.861 -11.580 1.00 1.88 H new ATOM 1876 N SER A 177 13.646 13.268 -9.242 1.00 0.63 N ATOM 1877 CA SER A 177 14.970 13.779 -9.557 1.00 0.71 C ATOM 1878 C SER A 177 16.022 12.713 -9.269 1.00 0.65 C ATOM 1879 O SER A 177 15.841 11.871 -8.390 1.00 0.66 O ATOM 1880 CB SER A 177 15.241 15.036 -8.736 1.00 0.88 C ATOM 1881 OG SER A 177 14.225 16.003 -8.944 1.00 1.63 O ATOM 0 H SER A 177 13.556 12.897 -8.296 1.00 0.63 H new ATOM 0 HA SER A 177 15.019 14.033 -10.616 1.00 0.71 H new ATOM 0 HB2 SER A 177 15.294 14.780 -7.678 1.00 0.88 H new ATOM 0 HB3 SER A 177 16.209 15.454 -9.012 1.00 0.88 H new ATOM 0 HG SER A 177 14.417 16.800 -8.407 1.00 1.63 H new ATOM 1887 N CYS A 178 17.118 12.750 -10.016 1.00 0.71 N ATOM 1888 CA CYS A 178 18.125 11.696 -9.961 1.00 0.76 C ATOM 1889 C CYS A 178 19.039 11.823 -8.741 1.00 0.71 C ATOM 1890 O CYS A 178 19.705 10.863 -8.362 1.00 0.77 O ATOM 1891 CB CYS A 178 18.953 11.698 -11.246 1.00 1.00 C ATOM 1892 SG CYS A 178 19.647 13.310 -11.679 1.00 1.96 S ATOM 0 H CYS A 178 17.334 13.502 -10.670 1.00 0.71 H new ATOM 0 HA CYS A 178 17.597 10.747 -9.866 1.00 0.76 H new ATOM 0 HB2 CYS A 178 19.767 10.981 -11.141 1.00 1.00 H new ATOM 0 HB3 CYS A 178 18.327 11.352 -12.069 1.00 1.00 H new ATOM 0 HG CYS A 178 20.332 13.206 -12.779 1.00 1.96 H new ATOM 1898 N ASP A 179 19.087 13.003 -8.136 1.00 0.76 N ATOM 1899 CA ASP A 179 19.878 13.201 -6.921 1.00 0.88 C ATOM 1900 C ASP A 179 19.032 12.889 -5.689 1.00 0.82 C ATOM 1901 O ASP A 179 19.520 12.882 -4.560 1.00 0.99 O ATOM 1902 CB ASP A 179 20.411 14.637 -6.851 1.00 1.08 C ATOM 1903 CG ASP A 179 21.441 14.836 -5.755 1.00 1.81 C ATOM 1904 OD1 ASP A 179 21.137 15.544 -4.772 1.00 2.40 O ATOM 1905 OD2 ASP A 179 22.546 14.262 -5.849 1.00 2.42 O ATOM 0 H ASP A 179 18.593 13.834 -8.461 1.00 0.76 H new ATOM 0 HA ASP A 179 20.729 12.521 -6.946 1.00 0.88 H new ATOM 0 HB2 ASP A 179 20.855 14.901 -7.811 1.00 1.08 H new ATOM 0 HB3 ASP A 179 19.578 15.320 -6.687 1.00 1.08 H new ATOM 1910 N ASP A 180 17.765 12.594 -5.935 1.00 0.70 N ATOM 1911 CA ASP A 180 16.786 12.379 -4.872 1.00 0.75 C ATOM 1912 C ASP A 180 16.655 10.906 -4.520 1.00 0.60 C ATOM 1913 O ASP A 180 15.658 10.495 -3.928 1.00 0.64 O ATOM 1914 CB ASP A 180 15.413 12.918 -5.289 1.00 0.92 C ATOM 1915 CG ASP A 180 15.339 14.429 -5.304 1.00 1.41 C ATOM 1916 OD1 ASP A 180 16.308 15.068 -5.765 1.00 2.12 O ATOM 1917 OD2 ASP A 180 14.322 14.990 -4.851 1.00 1.55 O ATOM 0 H ASP A 180 17.383 12.496 -6.876 1.00 0.70 H new ATOM 0 HA ASP A 180 17.143 12.917 -3.994 1.00 0.75 H new ATOM 0 HB2 ASP A 180 15.169 12.540 -6.282 1.00 0.92 H new ATOM 0 HB3 ASP A 180 14.657 12.532 -4.606 1.00 0.92 H new ATOM 1922 N GLN A 181 17.631 10.098 -4.914 1.00 0.51 N ATOM 1923 CA GLN A 181 17.546 8.664 -4.672 1.00 0.46 C ATOM 1924 C GLN A 181 17.676 8.354 -3.188 1.00 0.46 C ATOM 1925 O GLN A 181 18.732 8.548 -2.583 1.00 0.56 O ATOM 1926 CB GLN A 181 18.637 7.909 -5.430 1.00 0.56 C ATOM 1927 CG GLN A 181 18.729 8.276 -6.905 1.00 0.62 C ATOM 1928 CD GLN A 181 17.496 7.903 -7.713 1.00 0.70 C ATOM 1929 OE1 GLN A 181 17.172 8.565 -8.697 1.00 1.35 O ATOM 1930 NE2 GLN A 181 16.808 6.841 -7.322 1.00 0.98 N ATOM 0 H GLN A 181 18.477 10.404 -5.394 1.00 0.51 H new ATOM 0 HA GLN A 181 16.569 8.338 -5.029 1.00 0.46 H new ATOM 0 HB2 GLN A 181 19.598 8.106 -4.956 1.00 0.56 H new ATOM 0 HB3 GLN A 181 18.452 6.838 -5.343 1.00 0.56 H new ATOM 0 HG2 GLN A 181 18.897 9.349 -6.992 1.00 0.62 H new ATOM 0 HG3 GLN A 181 19.598 7.781 -7.338 1.00 0.62 H new ATOM 0 HE21 GLN A 181 17.106 6.315 -6.500 1.00 0.98 H new ATOM 0 HE22 GLN A 181 15.981 6.549 -7.842 1.00 0.98 H new ATOM 1939 N ASN A 182 16.593 7.864 -2.621 1.00 0.40 N ATOM 1940 CA ASN A 182 16.581 7.342 -1.273 1.00 0.41 C ATOM 1941 C ASN A 182 15.443 6.337 -1.124 1.00 0.36 C ATOM 1942 O ASN A 182 14.839 6.199 -0.058 1.00 0.42 O ATOM 1943 CB ASN A 182 16.439 8.468 -0.242 1.00 0.49 C ATOM 1944 CG ASN A 182 15.153 9.240 -0.356 1.00 0.99 C ATOM 1945 OD1 ASN A 182 15.053 10.213 -1.098 1.00 1.68 O ATOM 1946 ND2 ASN A 182 14.170 8.824 0.415 1.00 0.93 N ATOM 0 H ASN A 182 15.688 7.817 -3.089 1.00 0.40 H new ATOM 0 HA ASN A 182 17.532 6.842 -1.087 1.00 0.41 H new ATOM 0 HB2 ASN A 182 16.508 8.042 0.759 1.00 0.49 H new ATOM 0 HB3 ASN A 182 17.276 9.157 -0.353 1.00 0.49 H new ATOM 0 HD21 ASN A 182 13.277 9.316 0.412 1.00 0.93 H new ATOM 0 HD22 ASN A 182 14.302 8.010 1.015 1.00 0.93 H new ATOM 1953 N LEU A 183 15.191 5.601 -2.194 1.00 0.34 N ATOM 1954 CA LEU A 183 14.025 4.734 -2.271 1.00 0.35 C ATOM 1955 C LEU A 183 14.445 3.275 -2.415 1.00 0.36 C ATOM 1956 O LEU A 183 15.134 2.914 -3.371 1.00 0.39 O ATOM 1957 CB LEU A 183 13.132 5.125 -3.460 1.00 0.39 C ATOM 1958 CG LEU A 183 12.903 6.621 -3.675 1.00 0.46 C ATOM 1959 CD1 LEU A 183 14.112 7.274 -4.314 1.00 0.73 C ATOM 1960 CD2 LEU A 183 11.678 6.845 -4.537 1.00 0.81 C ATOM 0 H LEU A 183 15.781 5.586 -3.026 1.00 0.34 H new ATOM 0 HA LEU A 183 13.462 4.855 -1.346 1.00 0.35 H new ATOM 0 HB2 LEU A 183 13.572 4.713 -4.368 1.00 0.39 H new ATOM 0 HB3 LEU A 183 12.162 4.646 -3.330 1.00 0.39 H new ATOM 0 HG LEU A 183 12.744 7.080 -2.699 1.00 0.46 H new ATOM 0 HD11 LEU A 183 13.919 8.338 -4.454 1.00 0.73 H new ATOM 0 HD12 LEU A 183 14.980 7.145 -3.667 1.00 0.73 H new ATOM 0 HD13 LEU A 183 14.308 6.810 -5.281 1.00 0.73 H new ATOM 0 HD21 LEU A 183 11.526 7.915 -4.682 1.00 0.81 H new ATOM 0 HD22 LEU A 183 11.821 6.364 -5.505 1.00 0.81 H new ATOM 0 HD23 LEU A 183 10.804 6.418 -4.045 1.00 0.81 H new ATOM 1972 N THR A 184 14.037 2.443 -1.465 1.00 0.37 N ATOM 1973 CA THR A 184 14.338 1.021 -1.512 1.00 0.41 C ATOM 1974 C THR A 184 13.223 0.204 -0.857 1.00 0.41 C ATOM 1975 O THR A 184 12.653 0.605 0.159 1.00 0.45 O ATOM 1976 CB THR A 184 15.686 0.718 -0.818 1.00 0.45 C ATOM 1977 OG1 THR A 184 16.746 1.392 -1.504 1.00 0.51 O ATOM 1978 CG2 THR A 184 15.977 -0.776 -0.784 1.00 0.49 C ATOM 0 H THR A 184 13.495 2.732 -0.651 1.00 0.37 H new ATOM 0 HA THR A 184 14.412 0.735 -2.561 1.00 0.41 H new ATOM 0 HB THR A 184 15.618 1.075 0.210 1.00 0.45 H new ATOM 0 HG1 THR A 184 17.598 1.199 -1.060 1.00 0.51 H new ATOM 0 HG21 THR A 184 16.932 -0.949 -0.289 1.00 0.49 H new ATOM 0 HG22 THR A 184 15.186 -1.288 -0.236 1.00 0.49 H new ATOM 0 HG23 THR A 184 16.021 -1.161 -1.803 1.00 0.49 H new ATOM 1986 N MET A 185 12.895 -0.924 -1.463 1.00 0.49 N ATOM 1987 CA MET A 185 11.941 -1.852 -0.880 1.00 0.51 C ATOM 1988 C MET A 185 12.694 -2.977 -0.178 1.00 0.60 C ATOM 1989 O MET A 185 13.809 -3.323 -0.567 1.00 0.90 O ATOM 1990 CB MET A 185 11.010 -2.408 -1.962 1.00 0.77 C ATOM 1991 CG MET A 185 10.029 -3.459 -1.463 1.00 1.01 C ATOM 1992 SD MET A 185 8.927 -4.060 -2.759 1.00 1.35 S ATOM 1993 CE MET A 185 7.854 -2.644 -2.995 1.00 1.03 C ATOM 0 H MET A 185 13.277 -1.220 -2.361 1.00 0.49 H new ATOM 0 HA MET A 185 11.327 -1.329 -0.147 1.00 0.51 H new ATOM 0 HB2 MET A 185 10.449 -1.583 -2.401 1.00 0.77 H new ATOM 0 HB3 MET A 185 11.615 -2.841 -2.758 1.00 0.77 H new ATOM 0 HG2 MET A 185 10.585 -4.299 -1.047 1.00 1.01 H new ATOM 0 HG3 MET A 185 9.434 -3.038 -0.653 1.00 1.01 H new ATOM 0 HE1 MET A 185 6.845 -2.894 -2.668 1.00 1.03 H new ATOM 0 HE2 MET A 185 8.227 -1.803 -2.410 1.00 1.03 H new ATOM 0 HE3 MET A 185 7.837 -2.372 -4.050 1.00 1.03 H new ATOM 2003 N CYS A 186 12.096 -3.531 0.860 1.00 0.55 N ATOM 2004 CA CYS A 186 12.726 -4.590 1.624 1.00 0.81 C ATOM 2005 C CYS A 186 11.963 -5.891 1.435 1.00 0.71 C ATOM 2006 O CYS A 186 10.735 -5.928 1.533 1.00 0.65 O ATOM 2007 CB CYS A 186 12.781 -4.209 3.106 1.00 1.10 C ATOM 2008 SG CYS A 186 13.557 -5.446 4.171 1.00 1.73 S ATOM 0 H CYS A 186 11.170 -3.263 1.194 1.00 0.55 H new ATOM 0 HA CYS A 186 13.746 -4.730 1.265 1.00 0.81 H new ATOM 0 HB2 CYS A 186 13.324 -3.270 3.206 1.00 1.10 H new ATOM 0 HB3 CYS A 186 11.766 -4.029 3.460 1.00 1.10 H new ATOM 0 HG CYS A 186 13.553 -5.024 5.400 1.00 1.73 H new ATOM 2014 N GLN A 187 12.698 -6.952 1.149 1.00 0.81 N ATOM 2015 CA GLN A 187 12.098 -8.249 0.915 1.00 0.79 C ATOM 2016 C GLN A 187 12.647 -9.248 1.921 1.00 0.87 C ATOM 2017 O GLN A 187 13.791 -9.691 1.818 1.00 1.01 O ATOM 2018 CB GLN A 187 12.387 -8.696 -0.523 1.00 0.95 C ATOM 2019 CG GLN A 187 11.447 -9.770 -1.052 1.00 1.08 C ATOM 2020 CD GLN A 187 11.775 -11.165 -0.555 1.00 1.47 C ATOM 2021 OE1 GLN A 187 12.931 -11.491 -0.287 1.00 1.93 O ATOM 2022 NE2 GLN A 187 10.760 -12.002 -0.437 1.00 1.60 N ATOM 0 H GLN A 187 13.715 -6.938 1.074 1.00 0.81 H new ATOM 0 HA GLN A 187 11.017 -8.190 1.043 1.00 0.79 H new ATOM 0 HB2 GLN A 187 12.330 -7.827 -1.178 1.00 0.95 H new ATOM 0 HB3 GLN A 187 13.410 -9.069 -0.575 1.00 0.95 H new ATOM 0 HG2 GLN A 187 10.426 -9.521 -0.763 1.00 1.08 H new ATOM 0 HG3 GLN A 187 11.480 -9.765 -2.141 1.00 1.08 H new ATOM 0 HE21 GLN A 187 9.816 -11.694 -0.669 1.00 1.60 H new ATOM 0 HE22 GLN A 187 10.921 -12.956 -0.114 1.00 1.60 H new ATOM 2031 N ILE A 188 11.825 -9.581 2.905 1.00 0.82 N ATOM 2032 CA ILE A 188 12.215 -10.504 3.960 1.00 0.92 C ATOM 2033 C ILE A 188 11.052 -11.416 4.313 1.00 0.95 C ATOM 2034 O ILE A 188 9.923 -10.953 4.460 1.00 0.87 O ATOM 2035 CB ILE A 188 12.688 -9.760 5.233 1.00 0.99 C ATOM 2036 CG1 ILE A 188 11.706 -8.644 5.600 1.00 0.96 C ATOM 2037 CG2 ILE A 188 14.081 -9.188 5.031 1.00 1.07 C ATOM 2038 CD1 ILE A 188 12.033 -7.939 6.900 1.00 1.11 C ATOM 0 H ILE A 188 10.875 -9.222 2.995 1.00 0.82 H new ATOM 0 HA ILE A 188 13.050 -11.094 3.582 1.00 0.92 H new ATOM 0 HB ILE A 188 12.722 -10.477 6.054 1.00 0.99 H new ATOM 0 HG12 ILE A 188 11.689 -7.910 4.795 1.00 0.96 H new ATOM 0 HG13 ILE A 188 10.703 -9.065 5.669 1.00 0.96 H new ATOM 0 HG21 ILE A 188 14.396 -8.669 5.936 1.00 1.07 H new ATOM 0 HG22 ILE A 188 14.779 -9.997 4.815 1.00 1.07 H new ATOM 0 HG23 ILE A 188 14.069 -8.487 4.196 1.00 1.07 H new ATOM 0 HD11 ILE A 188 11.292 -7.163 7.089 1.00 1.11 H new ATOM 0 HD12 ILE A 188 12.021 -8.660 7.718 1.00 1.11 H new ATOM 0 HD13 ILE A 188 13.022 -7.487 6.830 1.00 1.11 H new ATOM 2050 N SER A 189 11.322 -12.715 4.402 1.00 1.12 N ATOM 2051 CA SER A 189 10.302 -13.703 4.751 1.00 1.23 C ATOM 2052 C SER A 189 9.139 -13.668 3.756 1.00 1.13 C ATOM 2053 O SER A 189 7.990 -13.948 4.108 1.00 1.15 O ATOM 2054 CB SER A 189 9.815 -13.467 6.184 1.00 1.31 C ATOM 2055 OG SER A 189 10.897 -13.547 7.099 1.00 1.86 O ATOM 0 H SER A 189 12.247 -13.112 4.236 1.00 1.12 H new ATOM 0 HA SER A 189 10.745 -14.697 4.696 1.00 1.23 H new ATOM 0 HB2 SER A 189 9.342 -12.488 6.256 1.00 1.31 H new ATOM 0 HB3 SER A 189 9.057 -14.207 6.443 1.00 1.31 H new ATOM 0 HG SER A 189 10.568 -13.392 8.009 1.00 1.86 H new ATOM 2061 N GLU A 190 9.465 -13.296 2.514 1.00 1.11 N ATOM 2062 CA GLU A 190 8.509 -13.262 1.403 1.00 1.13 C ATOM 2063 C GLU A 190 7.389 -12.245 1.618 1.00 0.96 C ATOM 2064 O GLU A 190 6.412 -12.218 0.870 1.00 1.05 O ATOM 2065 CB GLU A 190 7.940 -14.657 1.129 1.00 1.34 C ATOM 2066 CG GLU A 190 8.836 -15.513 0.241 1.00 1.74 C ATOM 2067 CD GLU A 190 10.282 -15.533 0.697 1.00 2.26 C ATOM 2068 OE1 GLU A 190 11.105 -14.796 0.117 1.00 2.66 O ATOM 2069 OE2 GLU A 190 10.607 -16.289 1.643 1.00 2.83 O ATOM 0 H GLU A 190 10.407 -13.008 2.250 1.00 1.11 H new ATOM 0 HA GLU A 190 9.062 -12.934 0.523 1.00 1.13 H new ATOM 0 HB2 GLU A 190 7.784 -15.170 2.078 1.00 1.34 H new ATOM 0 HB3 GLU A 190 6.963 -14.556 0.657 1.00 1.34 H new ATOM 0 HG2 GLU A 190 8.453 -16.533 0.224 1.00 1.74 H new ATOM 0 HG3 GLU A 190 8.789 -15.138 -0.781 1.00 1.74 H new ATOM 2076 N GLN A 191 7.550 -11.391 2.617 1.00 0.81 N ATOM 2077 CA GLN A 191 6.605 -10.316 2.851 1.00 0.71 C ATOM 2078 C GLN A 191 7.273 -8.979 2.562 1.00 0.61 C ATOM 2079 O GLN A 191 8.447 -8.779 2.872 1.00 0.65 O ATOM 2080 CB GLN A 191 6.047 -10.370 4.278 1.00 0.78 C ATOM 2081 CG GLN A 191 7.105 -10.507 5.358 1.00 0.87 C ATOM 2082 CD GLN A 191 6.514 -10.662 6.748 1.00 1.15 C ATOM 2083 OE1 GLN A 191 7.112 -10.248 7.740 1.00 1.75 O ATOM 2084 NE2 GLN A 191 5.336 -11.264 6.833 1.00 1.46 N ATOM 0 H GLN A 191 8.327 -11.423 3.277 1.00 0.81 H new ATOM 0 HA GLN A 191 5.758 -10.435 2.175 1.00 0.71 H new ATOM 0 HB2 GLN A 191 5.470 -9.464 4.464 1.00 0.78 H new ATOM 0 HB3 GLN A 191 5.356 -11.210 4.354 1.00 0.78 H new ATOM 0 HG2 GLN A 191 7.733 -11.370 5.137 1.00 0.87 H new ATOM 0 HG3 GLN A 191 7.752 -9.630 5.339 1.00 0.87 H new ATOM 0 HE21 GLN A 191 4.870 -11.594 5.988 1.00 1.46 H new ATOM 0 HE22 GLN A 191 4.896 -11.397 7.743 1.00 1.46 H new ATOM 2093 N ILE A 192 6.526 -8.081 1.942 1.00 0.56 N ATOM 2094 CA ILE A 192 7.081 -6.828 1.451 1.00 0.50 C ATOM 2095 C ILE A 192 7.126 -5.758 2.537 1.00 0.47 C ATOM 2096 O ILE A 192 6.146 -5.535 3.257 1.00 0.61 O ATOM 2097 CB ILE A 192 6.276 -6.307 0.236 1.00 0.65 C ATOM 2098 CG1 ILE A 192 6.403 -7.275 -0.944 1.00 0.89 C ATOM 2099 CG2 ILE A 192 6.732 -4.911 -0.170 1.00 0.64 C ATOM 2100 CD1 ILE A 192 7.823 -7.459 -1.438 1.00 1.01 C ATOM 0 H ILE A 192 5.528 -8.196 1.765 1.00 0.56 H new ATOM 0 HA ILE A 192 8.105 -7.036 1.141 1.00 0.50 H new ATOM 0 HB ILE A 192 5.228 -6.246 0.529 1.00 0.65 H new ATOM 0 HG12 ILE A 192 6.003 -8.245 -0.650 1.00 0.89 H new ATOM 0 HG13 ILE A 192 5.787 -6.912 -1.767 1.00 0.89 H new ATOM 0 HG21 ILE A 192 6.148 -4.572 -1.026 1.00 0.64 H new ATOM 0 HG22 ILE A 192 6.586 -4.224 0.664 1.00 0.64 H new ATOM 0 HG23 ILE A 192 7.788 -4.937 -0.439 1.00 0.64 H new ATOM 0 HD11 ILE A 192 7.830 -8.158 -2.274 1.00 1.01 H new ATOM 0 HD12 ILE A 192 8.222 -6.499 -1.765 1.00 1.01 H new ATOM 0 HD13 ILE A 192 8.441 -7.853 -0.631 1.00 1.01 H new ATOM 2112 N TYR A 193 8.281 -5.123 2.650 1.00 0.48 N ATOM 2113 CA TYR A 193 8.473 -3.989 3.536 1.00 0.68 C ATOM 2114 C TYR A 193 9.087 -2.831 2.762 1.00 0.50 C ATOM 2115 O TYR A 193 9.585 -3.013 1.654 1.00 0.47 O ATOM 2116 CB TYR A 193 9.392 -4.358 4.700 1.00 1.05 C ATOM 2117 CG TYR A 193 8.728 -5.168 5.787 1.00 1.54 C ATOM 2118 CD1 TYR A 193 8.797 -6.552 5.796 1.00 2.35 C ATOM 2119 CD2 TYR A 193 8.046 -4.538 6.814 1.00 1.86 C ATOM 2120 CE1 TYR A 193 8.204 -7.287 6.804 1.00 3.17 C ATOM 2121 CE2 TYR A 193 7.449 -5.264 7.825 1.00 2.49 C ATOM 2122 CZ TYR A 193 7.531 -6.637 7.816 1.00 3.09 C ATOM 2123 OH TYR A 193 6.941 -7.366 8.823 1.00 3.94 O ATOM 0 H TYR A 193 9.117 -5.382 2.126 1.00 0.48 H new ATOM 0 HA TYR A 193 7.501 -3.697 3.934 1.00 0.68 H new ATOM 0 HB2 TYR A 193 10.241 -4.920 4.312 1.00 1.05 H new ATOM 0 HB3 TYR A 193 9.789 -3.442 5.138 1.00 1.05 H new ATOM 0 HD1 TYR A 193 9.322 -7.064 5.003 1.00 2.35 H new ATOM 0 HD2 TYR A 193 7.980 -3.460 6.824 1.00 1.86 H new ATOM 0 HE1 TYR A 193 8.267 -8.365 6.799 1.00 3.17 H new ATOM 0 HE2 TYR A 193 6.920 -4.757 8.619 1.00 2.49 H new ATOM 0 HH TYR A 193 6.954 -8.317 8.589 1.00 3.94 H new ATOM 2133 N TYR A 194 9.044 -1.645 3.338 1.00 0.49 N ATOM 2134 CA TYR A 194 9.684 -0.483 2.742 1.00 0.41 C ATOM 2135 C TYR A 194 10.813 -0.008 3.639 1.00 0.40 C ATOM 2136 O TYR A 194 10.610 0.223 4.829 1.00 0.49 O ATOM 2137 CB TYR A 194 8.665 0.637 2.525 1.00 0.56 C ATOM 2138 CG TYR A 194 7.854 0.504 1.250 1.00 0.59 C ATOM 2139 CD1 TYR A 194 7.289 -0.710 0.881 1.00 0.80 C ATOM 2140 CD2 TYR A 194 7.642 1.598 0.425 1.00 0.78 C ATOM 2141 CE1 TYR A 194 6.542 -0.828 -0.273 1.00 0.89 C ATOM 2142 CE2 TYR A 194 6.897 1.488 -0.735 1.00 0.85 C ATOM 2143 CZ TYR A 194 6.350 0.271 -1.079 1.00 0.80 C ATOM 2144 OH TYR A 194 5.599 0.152 -2.226 1.00 0.92 O ATOM 0 H TYR A 194 8.571 -1.458 4.222 1.00 0.49 H new ATOM 0 HA TYR A 194 10.094 -0.761 1.771 1.00 0.41 H new ATOM 0 HB2 TYR A 194 7.983 0.661 3.375 1.00 0.56 H new ATOM 0 HB3 TYR A 194 9.190 1.592 2.510 1.00 0.56 H new ATOM 0 HD1 TYR A 194 7.437 -1.577 1.508 1.00 0.80 H new ATOM 0 HD2 TYR A 194 8.067 2.554 0.693 1.00 0.78 H new ATOM 0 HE1 TYR A 194 6.109 -1.780 -0.543 1.00 0.89 H new ATOM 0 HE2 TYR A 194 6.745 2.350 -1.367 1.00 0.85 H new ATOM 0 HH TYR A 194 5.559 1.019 -2.682 1.00 0.92 H new ATOM 2154 N LYS A 195 12.003 0.127 3.076 1.00 0.37 N ATOM 2155 CA LYS A 195 13.168 0.492 3.864 1.00 0.38 C ATOM 2156 C LYS A 195 13.845 1.720 3.280 1.00 0.39 C ATOM 2157 O LYS A 195 14.281 1.717 2.129 1.00 0.43 O ATOM 2158 CB LYS A 195 14.147 -0.688 3.939 1.00 0.40 C ATOM 2159 CG LYS A 195 15.425 -0.403 4.726 1.00 0.43 C ATOM 2160 CD LYS A 195 16.562 0.084 3.835 1.00 0.46 C ATOM 2161 CE LYS A 195 16.991 -0.980 2.833 1.00 0.53 C ATOM 2162 NZ LYS A 195 17.428 -2.240 3.497 1.00 1.11 N ATOM 0 H LYS A 195 12.187 -0.010 2.082 1.00 0.37 H new ATOM 0 HA LYS A 195 12.843 0.736 4.876 1.00 0.38 H new ATOM 0 HB2 LYS A 195 13.638 -1.538 4.393 1.00 0.40 H new ATOM 0 HB3 LYS A 195 14.418 -0.984 2.925 1.00 0.40 H new ATOM 0 HG2 LYS A 195 15.218 0.348 5.489 1.00 0.43 H new ATOM 0 HG3 LYS A 195 15.737 -1.309 5.246 1.00 0.43 H new ATOM 0 HD2 LYS A 195 16.247 0.980 3.301 1.00 0.46 H new ATOM 0 HD3 LYS A 195 17.414 0.365 4.454 1.00 0.46 H new ATOM 0 HE2 LYS A 195 16.162 -1.196 2.159 1.00 0.53 H new ATOM 0 HE3 LYS A 195 17.806 -0.593 2.222 1.00 0.53 H new ATOM 0 HZ1 LYS A 195 17.913 -2.847 2.805 1.00 1.11 H new ATOM 0 HZ2 LYS A 195 18.079 -2.014 4.276 1.00 1.11 H new ATOM 0 HZ3 LYS A 195 16.598 -2.740 3.874 1.00 1.11 H new ATOM 2176 N VAL A 196 13.924 2.768 4.078 1.00 0.41 N ATOM 2177 CA VAL A 196 14.586 3.985 3.661 1.00 0.45 C ATOM 2178 C VAL A 196 16.073 3.867 3.950 1.00 0.43 C ATOM 2179 O VAL A 196 16.497 3.116 4.823 1.00 0.41 O ATOM 2180 CB VAL A 196 14.019 5.236 4.355 1.00 0.51 C ATOM 2181 CG1 VAL A 196 14.197 6.448 3.463 1.00 0.70 C ATOM 2182 CG2 VAL A 196 12.552 5.054 4.727 1.00 0.68 C ATOM 0 H VAL A 196 13.536 2.799 5.021 1.00 0.41 H new ATOM 0 HA VAL A 196 14.410 4.107 2.592 1.00 0.45 H new ATOM 0 HB VAL A 196 14.573 5.390 5.281 1.00 0.51 H new ATOM 0 HG11 VAL A 196 13.793 7.329 3.962 1.00 0.70 H new ATOM 0 HG12 VAL A 196 15.258 6.599 3.262 1.00 0.70 H new ATOM 0 HG13 VAL A 196 13.669 6.289 2.523 1.00 0.70 H new ATOM 0 HG21 VAL A 196 12.186 5.957 5.215 1.00 0.68 H new ATOM 0 HG22 VAL A 196 11.969 4.866 3.826 1.00 0.68 H new ATOM 0 HG23 VAL A 196 12.451 4.208 5.407 1.00 0.68 H new ATOM 2192 N ILE A 197 16.848 4.586 3.167 1.00 0.47 N ATOM 2193 CA ILE A 197 18.302 4.441 3.152 1.00 0.45 C ATOM 2194 C ILE A 197 18.942 5.265 4.250 1.00 0.45 C ATOM 2195 O ILE A 197 19.798 4.783 4.993 1.00 0.49 O ATOM 2196 CB ILE A 197 18.915 4.905 1.811 1.00 0.47 C ATOM 2197 CG1 ILE A 197 17.841 5.109 0.747 1.00 0.60 C ATOM 2198 CG2 ILE A 197 19.959 3.922 1.313 1.00 0.47 C ATOM 2199 CD1 ILE A 197 17.111 3.849 0.334 1.00 0.62 C ATOM 0 H ILE A 197 16.495 5.290 2.519 1.00 0.47 H new ATOM 0 HA ILE A 197 18.500 3.380 3.301 1.00 0.45 H new ATOM 0 HB ILE A 197 19.401 5.863 1.997 1.00 0.47 H new ATOM 0 HG12 ILE A 197 17.112 5.829 1.119 1.00 0.60 H new ATOM 0 HG13 ILE A 197 18.303 5.551 -0.136 1.00 0.60 H new ATOM 0 HG21 ILE A 197 20.371 4.277 0.368 1.00 0.47 H new ATOM 0 HG22 ILE A 197 20.759 3.837 2.049 1.00 0.47 H new ATOM 0 HG23 ILE A 197 19.498 2.946 1.164 1.00 0.47 H new ATOM 0 HD11 ILE A 197 16.367 4.092 -0.425 1.00 0.62 H new ATOM 0 HD12 ILE A 197 17.824 3.132 -0.073 1.00 0.62 H new ATOM 0 HD13 ILE A 197 16.615 3.415 1.202 1.00 0.62 H new ATOM 2211 N LYS A 198 18.535 6.517 4.335 1.00 0.47 N ATOM 2212 CA LYS A 198 19.145 7.451 5.260 1.00 0.49 C ATOM 2213 C LYS A 198 18.167 8.538 5.667 1.00 0.48 C ATOM 2214 O LYS A 198 17.017 8.538 5.230 1.00 0.49 O ATOM 2215 CB LYS A 198 20.409 8.072 4.653 1.00 0.59 C ATOM 2216 CG LYS A 198 20.317 8.337 3.156 1.00 0.75 C ATOM 2217 CD LYS A 198 20.716 9.762 2.804 1.00 0.94 C ATOM 2218 CE LYS A 198 19.578 10.734 3.066 1.00 0.98 C ATOM 2219 NZ LYS A 198 19.975 12.144 2.810 1.00 1.38 N ATOM 0 H LYS A 198 17.781 6.911 3.772 1.00 0.47 H new ATOM 0 HA LYS A 198 19.426 6.895 6.154 1.00 0.49 H new ATOM 0 HB2 LYS A 198 20.621 9.011 5.165 1.00 0.59 H new ATOM 0 HB3 LYS A 198 21.253 7.409 4.842 1.00 0.59 H new ATOM 0 HG2 LYS A 198 20.962 7.638 2.624 1.00 0.75 H new ATOM 0 HG3 LYS A 198 19.298 8.152 2.817 1.00 0.75 H new ATOM 0 HD2 LYS A 198 21.588 10.053 3.390 1.00 0.94 H new ATOM 0 HD3 LYS A 198 21.006 9.812 1.754 1.00 0.94 H new ATOM 0 HE2 LYS A 198 18.729 10.476 2.433 1.00 0.98 H new ATOM 0 HE3 LYS A 198 19.247 10.633 4.100 1.00 0.98 H new ATOM 0 HZ1 LYS A 198 19.999 12.666 3.709 1.00 1.38 H new ATOM 0 HZ2 LYS A 198 20.918 12.165 2.372 1.00 1.38 H new ATOM 0 HZ3 LYS A 198 19.286 12.588 2.170 1.00 1.38 H new ATOM 2233 N ASP A 199 18.660 9.461 6.485 1.00 0.52 N ATOM 2234 CA ASP A 199 17.867 10.551 7.048 1.00 0.56 C ATOM 2235 C ASP A 199 16.934 11.210 6.036 1.00 0.55 C ATOM 2236 O ASP A 199 17.349 11.666 4.967 1.00 0.67 O ATOM 2237 CB ASP A 199 18.791 11.603 7.671 1.00 0.67 C ATOM 2238 CG ASP A 199 19.917 12.034 6.747 1.00 1.56 C ATOM 2239 OD1 ASP A 199 20.981 11.374 6.757 1.00 2.23 O ATOM 2240 OD2 ASP A 199 19.761 13.044 6.031 1.00 2.13 O ATOM 0 H ASP A 199 19.636 9.475 6.781 1.00 0.52 H new ATOM 0 HA ASP A 199 17.230 10.107 7.813 1.00 0.56 H new ATOM 0 HB2 ASP A 199 18.201 12.477 7.947 1.00 0.67 H new ATOM 0 HB3 ASP A 199 19.218 11.203 8.591 1.00 0.67 H new ATOM 2245 N ILE A 200 15.659 11.234 6.386 1.00 0.52 N ATOM 2246 CA ILE A 200 14.646 11.903 5.588 1.00 0.55 C ATOM 2247 C ILE A 200 14.310 13.255 6.196 1.00 0.54 C ATOM 2248 O ILE A 200 14.108 13.364 7.407 1.00 0.57 O ATOM 2249 CB ILE A 200 13.354 11.060 5.492 1.00 0.63 C ATOM 2250 CG1 ILE A 200 13.614 9.750 4.746 1.00 0.69 C ATOM 2251 CG2 ILE A 200 12.237 11.844 4.811 1.00 0.80 C ATOM 2252 CD1 ILE A 200 14.175 9.944 3.352 1.00 0.88 C ATOM 0 H ILE A 200 15.297 10.791 7.230 1.00 0.52 H new ATOM 0 HA ILE A 200 15.052 12.035 4.585 1.00 0.55 H new ATOM 0 HB ILE A 200 13.036 10.824 6.507 1.00 0.63 H new ATOM 0 HG12 ILE A 200 14.309 9.143 5.327 1.00 0.69 H new ATOM 0 HG13 ILE A 200 12.682 9.190 4.678 1.00 0.69 H new ATOM 0 HG21 ILE A 200 11.340 11.227 4.757 1.00 0.80 H new ATOM 0 HG22 ILE A 200 12.023 12.746 5.385 1.00 0.80 H new ATOM 0 HG23 ILE A 200 12.548 12.121 3.804 1.00 0.80 H new ATOM 0 HD11 ILE A 200 14.333 8.972 2.885 1.00 0.88 H new ATOM 0 HD12 ILE A 200 13.472 10.523 2.754 1.00 0.88 H new ATOM 0 HD13 ILE A 200 15.124 10.476 3.413 1.00 0.88 H new ATOM 2264 N GLU A 201 14.264 14.280 5.362 1.00 0.55 N ATOM 2265 CA GLU A 201 13.879 15.604 5.808 1.00 0.57 C ATOM 2266 C GLU A 201 12.369 15.767 5.667 1.00 0.49 C ATOM 2267 O GLU A 201 11.807 15.478 4.612 1.00 0.55 O ATOM 2268 CB GLU A 201 14.614 16.673 4.998 1.00 0.68 C ATOM 2269 CG GLU A 201 16.125 16.494 4.993 1.00 0.81 C ATOM 2270 CD GLU A 201 16.851 17.650 4.338 1.00 1.29 C ATOM 2271 OE1 GLU A 201 17.769 18.216 4.972 1.00 1.51 O ATOM 2272 OE2 GLU A 201 16.507 18.009 3.195 1.00 2.06 O ATOM 0 H GLU A 201 14.490 14.218 4.369 1.00 0.55 H new ATOM 0 HA GLU A 201 14.154 15.725 6.856 1.00 0.57 H new ATOM 0 HB2 GLU A 201 14.250 16.654 3.971 1.00 0.68 H new ATOM 0 HB3 GLU A 201 14.373 17.656 5.404 1.00 0.68 H new ATOM 0 HG2 GLU A 201 16.477 16.385 6.019 1.00 0.81 H new ATOM 0 HG3 GLU A 201 16.375 15.571 4.470 1.00 0.81 H new ATOM 2279 N PRO A 202 11.688 16.203 6.740 1.00 0.43 N ATOM 2280 CA PRO A 202 10.230 16.362 6.749 1.00 0.43 C ATOM 2281 C PRO A 202 9.705 17.109 5.524 1.00 0.45 C ATOM 2282 O PRO A 202 10.016 18.285 5.319 1.00 0.51 O ATOM 2283 CB PRO A 202 9.977 17.175 8.019 1.00 0.49 C ATOM 2284 CG PRO A 202 11.098 16.808 8.926 1.00 0.49 C ATOM 2285 CD PRO A 202 12.290 16.570 8.037 1.00 0.45 C ATOM 0 HA PRO A 202 9.718 15.400 6.725 1.00 0.43 H new ATOM 0 HB2 PRO A 202 9.969 18.245 7.810 1.00 0.49 H new ATOM 0 HB3 PRO A 202 9.012 16.930 8.462 1.00 0.49 H new ATOM 0 HG2 PRO A 202 11.298 17.605 9.642 1.00 0.49 H new ATOM 0 HG3 PRO A 202 10.857 15.915 9.503 1.00 0.49 H new ATOM 0 HD2 PRO A 202 12.912 17.461 7.953 1.00 0.45 H new ATOM 0 HD3 PRO A 202 12.926 15.774 8.424 1.00 0.45 H new ATOM 2293 N GLY A 203 8.901 16.425 4.724 1.00 0.44 N ATOM 2294 CA GLY A 203 8.346 17.030 3.532 1.00 0.52 C ATOM 2295 C GLY A 203 8.662 16.267 2.258 1.00 0.54 C ATOM 2296 O GLY A 203 8.015 16.489 1.235 1.00 0.70 O ATOM 0 H GLY A 203 8.622 15.456 4.881 1.00 0.44 H new ATOM 0 HA2 GLY A 203 7.264 17.104 3.642 1.00 0.52 H new ATOM 0 HA3 GLY A 203 8.727 18.047 3.440 1.00 0.52 H new ATOM 2300 N GLU A 204 9.639 15.367 2.300 1.00 0.48 N ATOM 2301 CA GLU A 204 10.002 14.603 1.108 1.00 0.51 C ATOM 2302 C GLU A 204 9.639 13.125 1.257 1.00 0.39 C ATOM 2303 O GLU A 204 10.057 12.458 2.204 1.00 0.40 O ATOM 2304 CB GLU A 204 11.496 14.757 0.806 1.00 0.65 C ATOM 2305 CG GLU A 204 12.403 14.336 1.950 1.00 0.71 C ATOM 2306 CD GLU A 204 13.868 14.523 1.639 1.00 0.99 C ATOM 2307 OE1 GLU A 204 14.660 13.591 1.890 1.00 1.16 O ATOM 2308 OE2 GLU A 204 14.237 15.601 1.132 1.00 1.27 O ATOM 0 H GLU A 204 10.187 15.149 3.132 1.00 0.48 H new ATOM 0 HA GLU A 204 9.430 15.004 0.271 1.00 0.51 H new ATOM 0 HB2 GLU A 204 11.741 14.165 -0.076 1.00 0.65 H new ATOM 0 HB3 GLU A 204 11.701 15.798 0.558 1.00 0.65 H new ATOM 0 HG2 GLU A 204 12.149 14.913 2.839 1.00 0.71 H new ATOM 0 HG3 GLU A 204 12.218 13.288 2.187 1.00 0.71 H new ATOM 2315 N GLU A 205 8.833 12.628 0.333 1.00 0.47 N ATOM 2316 CA GLU A 205 8.447 11.223 0.326 1.00 0.51 C ATOM 2317 C GLU A 205 9.054 10.465 -0.858 1.00 0.43 C ATOM 2318 O GLU A 205 8.488 10.444 -1.946 1.00 0.49 O ATOM 2319 CB GLU A 205 6.918 11.093 0.316 1.00 0.80 C ATOM 2320 CG GLU A 205 6.172 12.287 -0.276 1.00 1.49 C ATOM 2321 CD GLU A 205 6.499 12.550 -1.735 1.00 2.41 C ATOM 2322 OE1 GLU A 205 7.442 13.330 -2.003 1.00 2.84 O ATOM 2323 OE2 GLU A 205 5.821 11.980 -2.613 1.00 2.92 O ATOM 0 H GLU A 205 8.431 13.178 -0.426 1.00 0.47 H new ATOM 0 HA GLU A 205 8.841 10.771 1.236 1.00 0.51 H new ATOM 0 HB2 GLU A 205 6.648 10.200 -0.247 1.00 0.80 H new ATOM 0 HB3 GLU A 205 6.575 10.940 1.339 1.00 0.80 H new ATOM 0 HG2 GLU A 205 5.100 12.119 -0.178 1.00 1.49 H new ATOM 0 HG3 GLU A 205 6.409 13.177 0.306 1.00 1.49 H new ATOM 2330 N LEU A 206 10.189 9.815 -0.653 1.00 0.37 N ATOM 2331 CA LEU A 206 10.763 9.001 -1.719 1.00 0.36 C ATOM 2332 C LEU A 206 10.940 7.564 -1.236 1.00 0.36 C ATOM 2333 O LEU A 206 11.907 7.257 -0.547 1.00 0.39 O ATOM 2334 CB LEU A 206 12.135 9.538 -2.175 1.00 0.41 C ATOM 2335 CG LEU A 206 12.229 11.018 -2.573 1.00 0.44 C ATOM 2336 CD1 LEU A 206 11.105 11.412 -3.517 1.00 0.90 C ATOM 2337 CD2 LEU A 206 12.262 11.907 -1.337 1.00 0.84 C ATOM 0 H LEU A 206 10.721 9.831 0.217 1.00 0.37 H new ATOM 0 HA LEU A 206 10.075 9.041 -2.564 1.00 0.36 H new ATOM 0 HB2 LEU A 206 12.848 9.362 -1.369 1.00 0.41 H new ATOM 0 HB3 LEU A 206 12.462 8.941 -3.026 1.00 0.41 H new ATOM 0 HG LEU A 206 13.165 11.163 -3.113 1.00 0.44 H new ATOM 0 HD11 LEU A 206 11.202 12.466 -3.778 1.00 0.90 H new ATOM 0 HD12 LEU A 206 11.161 10.807 -4.422 1.00 0.90 H new ATOM 0 HD13 LEU A 206 10.145 11.246 -3.029 1.00 0.90 H new ATOM 0 HD21 LEU A 206 12.329 12.951 -1.642 1.00 0.84 H new ATOM 0 HD22 LEU A 206 11.352 11.756 -0.756 1.00 0.84 H new ATOM 0 HD23 LEU A 206 13.129 11.651 -0.728 1.00 0.84 H new ATOM 2349 N LEU A 207 10.013 6.691 -1.615 1.00 0.37 N ATOM 2350 CA LEU A 207 10.086 5.269 -1.270 1.00 0.40 C ATOM 2351 C LEU A 207 9.475 4.415 -2.378 1.00 0.43 C ATOM 2352 O LEU A 207 8.279 4.490 -2.628 1.00 0.53 O ATOM 2353 CB LEU A 207 9.372 4.975 0.055 1.00 0.43 C ATOM 2354 CG LEU A 207 10.217 5.106 1.336 1.00 0.45 C ATOM 2355 CD1 LEU A 207 11.647 4.635 1.101 1.00 0.49 C ATOM 2356 CD2 LEU A 207 10.190 6.532 1.867 1.00 0.44 C ATOM 0 H LEU A 207 9.193 6.943 -2.167 1.00 0.37 H new ATOM 0 HA LEU A 207 11.140 5.016 -1.158 1.00 0.40 H new ATOM 0 HB2 LEU A 207 8.519 5.648 0.139 1.00 0.43 H new ATOM 0 HB3 LEU A 207 8.975 3.961 0.011 1.00 0.43 H new ATOM 0 HG LEU A 207 9.774 4.460 2.094 1.00 0.45 H new ATOM 0 HD11 LEU A 207 12.220 4.739 2.022 1.00 0.49 H new ATOM 0 HD12 LEU A 207 11.640 3.589 0.794 1.00 0.49 H new ATOM 0 HD13 LEU A 207 12.105 5.240 0.318 1.00 0.49 H new ATOM 0 HD21 LEU A 207 10.795 6.595 2.772 1.00 0.44 H new ATOM 0 HD22 LEU A 207 10.593 7.209 1.113 1.00 0.44 H new ATOM 0 HD23 LEU A 207 9.163 6.815 2.097 1.00 0.44 H new ATOM 2368 N VAL A 208 10.291 3.611 -3.039 1.00 0.43 N ATOM 2369 CA VAL A 208 9.817 2.756 -4.115 1.00 0.50 C ATOM 2370 C VAL A 208 10.753 1.562 -4.271 1.00 0.57 C ATOM 2371 O VAL A 208 11.902 1.613 -3.830 1.00 0.59 O ATOM 2372 CB VAL A 208 9.743 3.528 -5.457 1.00 0.48 C ATOM 2373 CG1 VAL A 208 11.130 3.726 -6.046 1.00 0.91 C ATOM 2374 CG2 VAL A 208 8.829 2.821 -6.447 1.00 0.88 C ATOM 0 H VAL A 208 11.290 3.532 -2.848 1.00 0.43 H new ATOM 0 HA VAL A 208 8.814 2.415 -3.859 1.00 0.50 H new ATOM 0 HB VAL A 208 9.318 4.511 -5.253 1.00 0.48 H new ATOM 0 HG11 VAL A 208 11.051 4.270 -6.987 1.00 0.91 H new ATOM 0 HG12 VAL A 208 11.744 4.295 -5.348 1.00 0.91 H new ATOM 0 HG13 VAL A 208 11.591 2.755 -6.226 1.00 0.91 H new ATOM 0 HG21 VAL A 208 8.796 3.385 -7.379 1.00 0.88 H new ATOM 0 HG22 VAL A 208 9.210 1.819 -6.643 1.00 0.88 H new ATOM 0 HG23 VAL A 208 7.825 2.752 -6.029 1.00 0.88 H new ATOM 2384 N HIS A 209 10.265 0.490 -4.873 1.00 0.69 N ATOM 2385 CA HIS A 209 11.151 -0.573 -5.317 1.00 0.82 C ATOM 2386 C HIS A 209 11.666 -0.216 -6.700 1.00 0.94 C ATOM 2387 O HIS A 209 10.902 -0.216 -7.669 1.00 1.09 O ATOM 2388 CB HIS A 209 10.433 -1.925 -5.359 1.00 1.02 C ATOM 2389 CG HIS A 209 11.299 -3.050 -5.846 1.00 1.20 C ATOM 2390 ND1 HIS A 209 11.087 -3.642 -7.068 1.00 1.42 N ATOM 2391 CD2 HIS A 209 12.359 -3.642 -5.247 1.00 1.41 C ATOM 2392 CE1 HIS A 209 12.019 -4.573 -7.186 1.00 1.54 C ATOM 2393 NE2 HIS A 209 12.813 -4.610 -6.106 1.00 1.55 N ATOM 0 H HIS A 209 9.275 0.333 -5.063 1.00 0.69 H new ATOM 0 HA HIS A 209 11.976 -0.666 -4.611 1.00 0.82 H new ATOM 0 HB2 HIS A 209 10.068 -2.164 -4.360 1.00 1.02 H new ATOM 0 HB3 HIS A 209 9.560 -1.843 -6.006 1.00 1.02 H new ATOM 0 HD2 HIS A 209 12.769 -3.399 -4.278 1.00 1.41 H new ATOM 0 HE1 HIS A 209 12.127 -5.221 -8.043 1.00 1.54 H new ATOM 0 HE2 HIS A 209 13.603 -5.237 -5.953 1.00 1.55 H new ATOM 2401 N VAL A 210 12.945 0.100 -6.789 1.00 1.14 N ATOM 2402 CA VAL A 210 13.530 0.506 -8.054 1.00 1.45 C ATOM 2403 C VAL A 210 13.644 -0.697 -8.987 1.00 1.58 C ATOM 2404 O VAL A 210 14.220 -1.728 -8.634 1.00 1.82 O ATOM 2405 CB VAL A 210 14.909 1.185 -7.861 1.00 1.92 C ATOM 2406 CG1 VAL A 210 15.913 0.241 -7.219 1.00 2.56 C ATOM 2407 CG2 VAL A 210 15.435 1.715 -9.185 1.00 2.44 C ATOM 0 H VAL A 210 13.596 0.084 -6.004 1.00 1.14 H new ATOM 0 HA VAL A 210 12.870 1.246 -8.506 1.00 1.45 H new ATOM 0 HB VAL A 210 14.771 2.027 -7.182 1.00 1.92 H new ATOM 0 HG11 VAL A 210 16.868 0.752 -7.100 1.00 2.56 H new ATOM 0 HG12 VAL A 210 15.545 -0.072 -6.242 1.00 2.56 H new ATOM 0 HG13 VAL A 210 16.047 -0.635 -7.854 1.00 2.56 H new ATOM 0 HG21 VAL A 210 16.404 2.188 -9.028 1.00 2.44 H new ATOM 0 HG22 VAL A 210 15.543 0.891 -9.890 1.00 2.44 H new ATOM 0 HG23 VAL A 210 14.735 2.447 -9.588 1.00 2.44 H new