USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 395 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 496 LYS NZ :NH3+ -142:sc= 0.538 (180deg=0) USER MOD Set 1.2: A 499 GLN : amide:sc= 0.372 K(o=0.91,f=-3!) USER MOD Single : A 462 SER OG : rot 180:sc= 0 USER MOD Single : A 466 SER OG : rot 68:sc= 1.26 USER MOD Single : A 469 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 470 SER OG : rot -26:sc= 0.163 USER MOD Single : A 471 SER OG : rot 45:sc= 0.663 USER MOD Single : A 478 LYS NZ :NH3+ -150:sc= 0.408 (180deg=-0.408) USER MOD Single : A 480 TYR OH : rot 180:sc= 0 USER MOD Single : A 482 MET CE :methyl -134:sc= -0.19 (180deg=-0.822) USER MOD Single : A 483 THR OG1 : rot 180:sc= 0 USER MOD Single : A 489 LYS NZ :NH3+ -128:sc= -0.0989 (180deg=-0.989) USER MOD Single : A 492 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 498 HIS : no HE2:sc= -4.37! C(o=-4.4!,f=-4.7!) USER MOD Single : A 500 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 503 LYS NZ :NH3+ -152:sc= -0.208 (180deg=-0.901) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 462 -6.825 1.209 6.369 1.00 1.77 N ATOM 2 CA SER A 462 -5.787 1.588 7.323 1.00 1.60 C ATOM 3 C SER A 462 -4.678 0.536 7.406 1.00 1.25 C ATOM 4 O SER A 462 -3.509 0.882 7.547 1.00 1.09 O ATOM 5 CB SER A 462 -6.408 1.810 8.705 1.00 1.97 C ATOM 6 OG SER A 462 -5.445 2.261 9.641 1.00 2.70 O ATOM 0 HA SER A 462 -5.334 2.515 6.972 1.00 1.60 H new ATOM 0 HB2 SER A 462 -7.214 2.540 8.630 1.00 1.97 H new ATOM 0 HB3 SER A 462 -6.853 0.880 9.059 1.00 1.97 H new ATOM 0 HG SER A 462 -5.873 2.395 10.512 1.00 2.70 H new ATOM 14 N VAL A 463 -5.047 -0.738 7.310 1.00 1.25 N ATOM 15 CA VAL A 463 -4.073 -1.827 7.368 1.00 1.07 C ATOM 16 C VAL A 463 -3.010 -1.656 6.285 1.00 0.89 C ATOM 17 O VAL A 463 -1.814 -1.542 6.571 1.00 0.76 O ATOM 18 CB VAL A 463 -4.746 -3.208 7.197 1.00 1.28 C ATOM 19 CG1 VAL A 463 -3.730 -4.328 7.395 1.00 1.28 C ATOM 20 CG2 VAL A 463 -5.914 -3.359 8.163 1.00 1.50 C ATOM 0 H VAL A 463 -6.013 -1.043 7.192 1.00 1.25 H new ATOM 0 HA VAL A 463 -3.608 -1.785 8.353 1.00 1.07 H new ATOM 0 HB VAL A 463 -5.135 -3.278 6.181 1.00 1.28 H new ATOM 0 HG11 VAL A 463 -4.223 -5.292 7.271 1.00 1.28 H new ATOM 0 HG12 VAL A 463 -2.933 -4.230 6.658 1.00 1.28 H new ATOM 0 HG13 VAL A 463 -3.308 -4.263 8.398 1.00 1.28 H new ATOM 0 HG21 VAL A 463 -6.374 -4.338 8.027 1.00 1.50 H new ATOM 0 HG22 VAL A 463 -5.553 -3.267 9.187 1.00 1.50 H new ATOM 0 HG23 VAL A 463 -6.651 -2.581 7.967 1.00 1.50 H new ATOM 30 N ILE A 464 -3.462 -1.611 5.041 1.00 1.02 N ATOM 31 CA ILE A 464 -2.561 -1.491 3.906 1.00 1.02 C ATOM 32 C ILE A 464 -1.877 -0.129 3.928 1.00 0.88 C ATOM 33 O ILE A 464 -0.688 -0.011 3.628 1.00 0.84 O ATOM 34 CB ILE A 464 -3.313 -1.670 2.570 1.00 1.35 C ATOM 35 CG1 ILE A 464 -4.346 -2.801 2.677 1.00 1.81 C ATOM 36 CG2 ILE A 464 -2.330 -1.955 1.445 1.00 1.96 C ATOM 37 CD1 ILE A 464 -3.754 -4.151 3.028 1.00 2.72 C ATOM 0 H ILE A 464 -4.450 -1.656 4.792 1.00 1.02 H new ATOM 0 HA ILE A 464 -1.814 -2.280 3.986 1.00 1.02 H new ATOM 0 HB ILE A 464 -3.841 -0.743 2.346 1.00 1.35 H new ATOM 0 HG12 ILE A 464 -5.085 -2.533 3.432 1.00 1.81 H new ATOM 0 HG13 ILE A 464 -4.876 -2.885 1.728 1.00 1.81 H new ATOM 0 HG21 ILE A 464 -2.874 -2.079 0.509 1.00 1.96 H new ATOM 0 HG22 ILE A 464 -1.633 -1.123 1.352 1.00 1.96 H new ATOM 0 HG23 ILE A 464 -1.778 -2.868 1.667 1.00 1.96 H new ATOM 0 HD11 ILE A 464 -4.550 -4.894 3.084 1.00 2.72 H new ATOM 0 HD12 ILE A 464 -3.037 -4.444 2.261 1.00 2.72 H new ATOM 0 HD13 ILE A 464 -3.249 -4.087 3.992 1.00 2.72 H new ATOM 49 N ARG A 465 -2.641 0.885 4.320 1.00 0.94 N ATOM 50 CA ARG A 465 -2.135 2.247 4.443 1.00 0.95 C ATOM 51 C ARG A 465 -0.957 2.296 5.413 1.00 0.83 C ATOM 52 O ARG A 465 0.031 2.989 5.173 1.00 0.90 O ATOM 53 CB ARG A 465 -3.258 3.172 4.930 1.00 1.18 C ATOM 54 CG ARG A 465 -2.877 4.644 4.993 1.00 1.57 C ATOM 55 CD ARG A 465 -4.050 5.508 5.432 1.00 1.81 C ATOM 56 NE ARG A 465 -4.406 5.297 6.838 1.00 2.13 N ATOM 57 CZ ARG A 465 -5.657 5.330 7.302 1.00 2.61 C ATOM 58 NH1 ARG A 465 -6.675 5.505 6.475 1.00 2.88 N ATOM 59 NH2 ARG A 465 -5.888 5.202 8.603 1.00 3.37 N ATOM 0 H ARG A 465 -3.627 0.786 4.561 1.00 0.94 H new ATOM 0 HA ARG A 465 -1.789 2.584 3.466 1.00 0.95 H new ATOM 0 HB2 ARG A 465 -4.117 3.060 4.269 1.00 1.18 H new ATOM 0 HB3 ARG A 465 -3.574 2.848 5.922 1.00 1.18 H new ATOM 0 HG2 ARG A 465 -2.047 4.776 5.687 1.00 1.57 H new ATOM 0 HG3 ARG A 465 -2.529 4.973 4.014 1.00 1.57 H new ATOM 0 HD2 ARG A 465 -3.802 6.558 5.277 1.00 1.81 H new ATOM 0 HD3 ARG A 465 -4.914 5.288 4.805 1.00 1.81 H new ATOM 0 HE ARG A 465 -3.653 5.114 7.501 1.00 2.13 H new ATOM 0 HH11 ARG A 465 -6.507 5.616 5.475 1.00 2.88 H new ATOM 0 HH12 ARG A 465 -7.628 5.529 6.837 1.00 2.88 H new ATOM 0 HH21 ARG A 465 -5.109 5.078 9.250 1.00 3.37 H new ATOM 0 HH22 ARG A 465 -6.845 5.227 8.956 1.00 3.37 H new ATOM 73 N SER A 466 -1.068 1.543 6.502 1.00 0.80 N ATOM 74 CA SER A 466 -0.019 1.492 7.506 1.00 0.87 C ATOM 75 C SER A 466 1.201 0.732 6.991 1.00 0.85 C ATOM 76 O SER A 466 2.333 1.186 7.164 1.00 1.03 O ATOM 77 CB SER A 466 -0.536 0.842 8.792 1.00 0.96 C ATOM 78 OG SER A 466 -1.632 1.566 9.328 1.00 1.63 O ATOM 0 H SER A 466 -1.878 0.959 6.710 1.00 0.80 H new ATOM 0 HA SER A 466 0.282 2.517 7.723 1.00 0.87 H new ATOM 0 HB2 SER A 466 -0.840 -0.184 8.587 1.00 0.96 H new ATOM 0 HB3 SER A 466 0.267 0.796 9.527 1.00 0.96 H new ATOM 0 HG SER A 466 -2.403 1.484 8.729 1.00 1.63 H new ATOM 84 N ILE A 467 0.978 -0.415 6.346 1.00 0.78 N ATOM 85 CA ILE A 467 2.092 -1.238 5.885 1.00 0.91 C ATOM 86 C ILE A 467 2.936 -0.506 4.846 1.00 0.96 C ATOM 87 O ILE A 467 4.163 -0.481 4.950 1.00 1.18 O ATOM 88 CB ILE A 467 1.646 -2.602 5.309 1.00 1.02 C ATOM 89 CG1 ILE A 467 0.731 -3.336 6.296 1.00 1.14 C ATOM 90 CG2 ILE A 467 2.868 -3.449 4.992 1.00 1.24 C ATOM 91 CD1 ILE A 467 1.366 -3.610 7.649 1.00 1.59 C ATOM 0 H ILE A 467 0.052 -0.788 6.135 1.00 0.78 H new ATOM 0 HA ILE A 467 2.692 -1.433 6.774 1.00 0.91 H new ATOM 0 HB ILE A 467 1.084 -2.427 4.392 1.00 1.02 H new ATOM 0 HG12 ILE A 467 -0.173 -2.745 6.444 1.00 1.14 H new ATOM 0 HG13 ILE A 467 0.423 -4.283 5.853 1.00 1.14 H new ATOM 0 HG21 ILE A 467 2.550 -4.409 4.586 1.00 1.24 H new ATOM 0 HG22 ILE A 467 3.488 -2.933 4.259 1.00 1.24 H new ATOM 0 HG23 ILE A 467 3.443 -3.613 5.903 1.00 1.24 H new ATOM 0 HD11 ILE A 467 0.652 -4.132 8.287 1.00 1.59 H new ATOM 0 HD12 ILE A 467 2.254 -4.229 7.516 1.00 1.59 H new ATOM 0 HD13 ILE A 467 1.648 -2.667 8.116 1.00 1.59 H new ATOM 103 N ILE A 468 2.296 0.111 3.861 1.00 0.87 N ATOM 104 CA ILE A 468 3.047 0.803 2.819 1.00 0.99 C ATOM 105 C ILE A 468 3.787 1.993 3.399 1.00 1.08 C ATOM 106 O ILE A 468 4.921 2.265 3.022 1.00 1.27 O ATOM 107 CB ILE A 468 2.169 1.232 1.616 1.00 1.02 C ATOM 108 CG1 ILE A 468 1.216 2.374 1.988 1.00 0.80 C ATOM 109 CG2 ILE A 468 1.392 0.033 1.089 1.00 1.34 C ATOM 110 CD1 ILE A 468 0.265 2.758 0.874 1.00 1.65 C ATOM 0 H ILE A 468 1.282 0.148 3.761 1.00 0.87 H new ATOM 0 HA ILE A 468 3.770 0.087 2.428 1.00 0.99 H new ATOM 0 HB ILE A 468 2.828 1.604 0.832 1.00 1.02 H new ATOM 0 HG12 ILE A 468 0.637 2.082 2.864 1.00 0.80 H new ATOM 0 HG13 ILE A 468 1.803 3.248 2.271 1.00 0.80 H new ATOM 0 HG21 ILE A 468 0.777 0.341 0.244 1.00 1.34 H new ATOM 0 HG22 ILE A 468 2.090 -0.740 0.767 1.00 1.34 H new ATOM 0 HG23 ILE A 468 0.752 -0.362 1.878 1.00 1.34 H new ATOM 0 HD11 ILE A 468 -0.378 3.572 1.209 1.00 1.65 H new ATOM 0 HD12 ILE A 468 0.836 3.082 0.004 1.00 1.65 H new ATOM 0 HD13 ILE A 468 -0.348 1.897 0.606 1.00 1.65 H new ATOM 122 N LYS A 469 3.173 2.654 4.364 1.00 1.04 N ATOM 123 CA LYS A 469 3.821 3.762 5.030 1.00 1.27 C ATOM 124 C LYS A 469 4.989 3.259 5.873 1.00 1.47 C ATOM 125 O LYS A 469 5.953 3.984 6.120 1.00 1.68 O ATOM 126 CB LYS A 469 2.840 4.523 5.910 1.00 1.35 C ATOM 127 CG LYS A 469 3.402 5.851 6.356 1.00 1.75 C ATOM 128 CD LYS A 469 2.517 6.540 7.383 1.00 1.96 C ATOM 129 CE LYS A 469 2.504 5.789 8.707 1.00 2.66 C ATOM 130 NZ LYS A 469 1.702 6.497 9.739 1.00 2.97 N ATOM 0 H LYS A 469 2.233 2.443 4.700 1.00 1.04 H new ATOM 0 HA LYS A 469 4.195 4.442 4.265 1.00 1.27 H new ATOM 0 HB2 LYS A 469 1.912 4.686 5.363 1.00 1.35 H new ATOM 0 HB3 LYS A 469 2.593 3.921 6.784 1.00 1.35 H new ATOM 0 HG2 LYS A 469 4.395 5.698 6.780 1.00 1.75 H new ATOM 0 HG3 LYS A 469 3.522 6.501 5.489 1.00 1.75 H new ATOM 0 HD2 LYS A 469 2.872 7.558 7.545 1.00 1.96 H new ATOM 0 HD3 LYS A 469 1.501 6.614 6.996 1.00 1.96 H new ATOM 0 HE2 LYS A 469 2.097 4.790 8.553 1.00 2.66 H new ATOM 0 HE3 LYS A 469 3.526 5.665 9.064 1.00 2.66 H new ATOM 0 HZ1 LYS A 469 1.719 5.953 10.625 1.00 2.97 H new ATOM 0 HZ2 LYS A 469 2.105 7.441 9.905 1.00 2.97 H new ATOM 0 HZ3 LYS A 469 0.720 6.593 9.410 1.00 2.97 H new ATOM 144 N SER A 470 4.889 2.015 6.318 1.00 1.46 N ATOM 145 CA SER A 470 5.956 1.388 7.079 1.00 1.71 C ATOM 146 C SER A 470 6.945 0.703 6.136 1.00 1.82 C ATOM 147 O SER A 470 7.991 0.215 6.572 1.00 2.10 O ATOM 148 CB SER A 470 5.378 0.377 8.078 1.00 1.74 C ATOM 149 OG SER A 470 6.358 -0.049 9.012 1.00 2.10 O ATOM 0 H SER A 470 4.076 1.419 6.164 1.00 1.46 H new ATOM 0 HA SER A 470 6.486 2.159 7.638 1.00 1.71 H new ATOM 0 HB2 SER A 470 4.539 0.827 8.609 1.00 1.74 H new ATOM 0 HB3 SER A 470 4.988 -0.486 7.539 1.00 1.74 H new ATOM 0 HG SER A 470 7.249 0.035 8.612 1.00 2.10 H new ATOM 155 N SER A 471 6.606 0.651 4.851 1.00 1.68 N ATOM 156 CA SER A 471 7.509 0.107 3.849 1.00 1.90 C ATOM 157 C SER A 471 8.632 1.104 3.560 1.00 1.57 C ATOM 158 O SER A 471 8.458 2.059 2.796 1.00 1.83 O ATOM 159 CB SER A 471 6.738 -0.229 2.571 1.00 2.65 C ATOM 160 OG SER A 471 5.717 -1.179 2.832 1.00 3.40 O ATOM 0 H SER A 471 5.713 0.979 4.482 1.00 1.68 H new ATOM 0 HA SER A 471 7.954 -0.812 4.231 1.00 1.90 H new ATOM 0 HB2 SER A 471 6.299 0.679 2.157 1.00 2.65 H new ATOM 0 HB3 SER A 471 7.424 -0.623 1.820 1.00 2.65 H new ATOM 0 HG SER A 471 5.237 -0.928 3.649 1.00 3.40 H new ATOM 166 N ARG A 472 9.785 0.872 4.174 1.00 1.77 N ATOM 167 CA ARG A 472 10.909 1.798 4.097 1.00 1.99 C ATOM 168 C ARG A 472 11.682 1.610 2.793 1.00 1.90 C ATOM 169 O ARG A 472 12.859 1.241 2.794 1.00 2.38 O ATOM 170 CB ARG A 472 11.831 1.596 5.303 1.00 2.75 C ATOM 171 CG ARG A 472 11.090 1.593 6.633 1.00 3.26 C ATOM 172 CD ARG A 472 12.029 1.356 7.802 1.00 3.92 C ATOM 173 NE ARG A 472 12.833 2.537 8.114 1.00 4.22 N ATOM 174 CZ ARG A 472 13.936 2.507 8.859 1.00 4.90 C ATOM 175 NH1 ARG A 472 14.405 1.347 9.306 1.00 5.31 N ATOM 176 NH2 ARG A 472 14.578 3.631 9.144 1.00 5.50 N ATOM 0 H ARG A 472 9.968 0.041 4.737 1.00 1.77 H new ATOM 0 HA ARG A 472 10.523 2.817 4.112 1.00 1.99 H new ATOM 0 HB2 ARG A 472 12.364 0.652 5.190 1.00 2.75 H new ATOM 0 HB3 ARG A 472 12.581 2.387 5.315 1.00 2.75 H new ATOM 0 HG2 ARG A 472 10.578 2.546 6.766 1.00 3.26 H new ATOM 0 HG3 ARG A 472 10.323 0.818 6.620 1.00 3.26 H new ATOM 0 HD2 ARG A 472 11.449 1.072 8.680 1.00 3.92 H new ATOM 0 HD3 ARG A 472 12.689 0.520 7.572 1.00 3.92 H new ATOM 0 HE ARG A 472 12.531 3.436 7.739 1.00 4.22 H new ATOM 0 HH11 ARG A 472 13.920 0.479 9.078 1.00 5.31 H new ATOM 0 HH12 ARG A 472 15.250 1.324 9.877 1.00 5.31 H new ATOM 0 HH21 ARG A 472 14.227 4.522 8.792 1.00 5.50 H new ATOM 0 HH22 ARG A 472 15.423 3.605 9.715 1.00 5.50 H new ATOM 190 N LEU A 473 10.999 1.850 1.684 1.00 1.57 N ATOM 191 CA LEU A 473 11.603 1.745 0.364 1.00 1.68 C ATOM 192 C LEU A 473 11.084 2.844 -0.560 1.00 1.46 C ATOM 193 O LEU A 473 11.860 3.630 -1.100 1.00 2.00 O ATOM 194 CB LEU A 473 11.334 0.361 -0.246 1.00 2.11 C ATOM 195 CG LEU A 473 9.893 -0.156 -0.133 1.00 1.80 C ATOM 196 CD1 LEU A 473 9.460 -0.816 -1.429 1.00 2.32 C ATOM 197 CD2 LEU A 473 9.780 -1.144 1.019 1.00 2.17 C ATOM 0 H LEU A 473 10.016 2.122 1.673 1.00 1.57 H new ATOM 0 HA LEU A 473 12.680 1.871 0.474 1.00 1.68 H new ATOM 0 HB2 LEU A 473 11.606 0.392 -1.301 1.00 2.11 H new ATOM 0 HB3 LEU A 473 11.996 -0.360 0.233 1.00 2.11 H new ATOM 0 HG LEU A 473 9.236 0.692 0.061 1.00 1.80 H new ATOM 0 HD11 LEU A 473 8.436 -1.176 -1.330 1.00 2.32 H new ATOM 0 HD12 LEU A 473 9.512 -0.091 -2.242 1.00 2.32 H new ATOM 0 HD13 LEU A 473 10.120 -1.655 -1.648 1.00 2.32 H new ATOM 0 HD21 LEU A 473 8.754 -1.504 1.090 1.00 2.17 H new ATOM 0 HD22 LEU A 473 10.449 -1.986 0.843 1.00 2.17 H new ATOM 0 HD23 LEU A 473 10.056 -0.650 1.950 1.00 2.17 H new ATOM 209 N GLU A 474 9.772 2.905 -0.721 1.00 1.28 N ATOM 210 CA GLU A 474 9.155 3.876 -1.606 1.00 1.36 C ATOM 211 C GLU A 474 8.753 5.114 -0.821 1.00 1.06 C ATOM 212 O GLU A 474 7.811 5.070 -0.047 1.00 1.14 O ATOM 213 CB GLU A 474 7.906 3.278 -2.256 1.00 1.92 C ATOM 214 CG GLU A 474 8.153 1.994 -3.028 1.00 2.48 C ATOM 215 CD GLU A 474 9.187 2.150 -4.121 1.00 3.00 C ATOM 216 OE1 GLU A 474 8.882 2.804 -5.136 1.00 3.36 O ATOM 217 OE2 GLU A 474 10.307 1.618 -3.971 1.00 3.47 O ATOM 0 H GLU A 474 9.112 2.289 -0.247 1.00 1.28 H new ATOM 0 HA GLU A 474 9.876 4.146 -2.377 1.00 1.36 H new ATOM 0 HB2 GLU A 474 7.165 3.084 -1.480 1.00 1.92 H new ATOM 0 HB3 GLU A 474 7.474 4.016 -2.932 1.00 1.92 H new ATOM 0 HG2 GLU A 474 8.479 1.218 -2.336 1.00 2.48 H new ATOM 0 HG3 GLU A 474 7.215 1.655 -3.469 1.00 2.48 H new ATOM 224 N GLU A 475 9.463 6.211 -1.018 1.00 0.94 N ATOM 225 CA GLU A 475 9.125 7.455 -0.336 1.00 0.84 C ATOM 226 C GLU A 475 7.854 8.068 -0.929 1.00 0.73 C ATOM 227 O GLU A 475 6.746 7.881 -0.401 1.00 0.73 O ATOM 228 CB GLU A 475 10.289 8.448 -0.417 1.00 1.20 C ATOM 229 CG GLU A 475 9.992 9.804 0.212 1.00 1.66 C ATOM 230 CD GLU A 475 9.552 9.702 1.658 1.00 2.13 C ATOM 231 OE1 GLU A 475 8.351 9.467 1.906 1.00 2.79 O ATOM 232 OE2 GLU A 475 10.407 9.847 2.555 1.00 2.49 O ATOM 0 H GLU A 475 10.271 6.270 -1.638 1.00 0.94 H new ATOM 0 HA GLU A 475 8.939 7.229 0.714 1.00 0.84 H new ATOM 0 HB2 GLU A 475 11.159 8.013 0.075 1.00 1.20 H new ATOM 0 HB3 GLU A 475 10.556 8.595 -1.464 1.00 1.20 H new ATOM 0 HG2 GLU A 475 10.883 10.429 0.152 1.00 1.66 H new ATOM 0 HG3 GLU A 475 9.213 10.303 -0.365 1.00 1.66 H new ATOM 239 N ASP A 476 8.004 8.768 -2.045 1.00 0.88 N ATOM 240 CA ASP A 476 6.870 9.419 -2.684 1.00 0.98 C ATOM 241 C ASP A 476 5.877 8.385 -3.177 1.00 0.85 C ATOM 242 O ASP A 476 4.686 8.661 -3.278 1.00 0.84 O ATOM 243 CB ASP A 476 7.307 10.299 -3.855 1.00 1.36 C ATOM 244 CG ASP A 476 8.176 11.464 -3.430 1.00 2.00 C ATOM 245 OD1 ASP A 476 7.620 12.522 -3.072 1.00 2.63 O ATOM 246 OD2 ASP A 476 9.417 11.336 -3.472 1.00 2.43 O ATOM 0 H ASP A 476 8.895 8.899 -2.524 1.00 0.88 H new ATOM 0 HA ASP A 476 6.399 10.055 -1.935 1.00 0.98 H new ATOM 0 HB2 ASP A 476 7.853 9.690 -4.576 1.00 1.36 H new ATOM 0 HB3 ASP A 476 6.422 10.680 -4.365 1.00 1.36 H new ATOM 251 N ARG A 477 6.369 7.192 -3.481 1.00 0.89 N ATOM 252 CA ARG A 477 5.499 6.127 -3.943 1.00 0.96 C ATOM 253 C ARG A 477 4.605 5.597 -2.825 1.00 0.80 C ATOM 254 O ARG A 477 3.448 5.303 -3.080 1.00 0.85 O ATOM 255 CB ARG A 477 6.285 4.989 -4.593 1.00 1.23 C ATOM 256 CG ARG A 477 6.127 4.946 -6.106 1.00 1.57 C ATOM 257 CD ARG A 477 7.379 5.407 -6.837 1.00 1.89 C ATOM 258 NE ARG A 477 7.929 6.645 -6.286 1.00 1.95 N ATOM 259 CZ ARG A 477 7.965 7.807 -6.936 1.00 2.54 C ATOM 260 NH1 ARG A 477 7.331 7.956 -8.094 1.00 2.96 N ATOM 261 NH2 ARG A 477 8.606 8.842 -6.404 1.00 2.98 N ATOM 0 H ARG A 477 7.356 6.942 -3.416 1.00 0.89 H new ATOM 0 HA ARG A 477 4.854 6.563 -4.706 1.00 0.96 H new ATOM 0 HB2 ARG A 477 7.341 5.097 -4.346 1.00 1.23 H new ATOM 0 HB3 ARG A 477 5.955 4.040 -4.172 1.00 1.23 H new ATOM 0 HG2 ARG A 477 5.885 3.929 -6.414 1.00 1.57 H new ATOM 0 HG3 ARG A 477 5.287 5.576 -6.398 1.00 1.57 H new ATOM 0 HD2 ARG A 477 8.135 4.623 -6.785 1.00 1.89 H new ATOM 0 HD3 ARG A 477 7.146 5.555 -7.891 1.00 1.89 H new ATOM 0 HE ARG A 477 8.311 6.617 -5.341 1.00 1.95 H new ATOM 0 HH11 ARG A 477 6.810 7.176 -8.494 1.00 2.96 H new ATOM 0 HH12 ARG A 477 7.366 8.851 -8.583 1.00 2.96 H new ATOM 0 HH21 ARG A 477 9.069 8.745 -5.500 1.00 2.98 H new ATOM 0 HH22 ARG A 477 8.635 9.733 -6.899 1.00 2.98 H new ATOM 275 N LYS A 478 5.108 5.471 -1.591 1.00 0.77 N ATOM 276 CA LYS A 478 4.235 5.058 -0.494 1.00 0.90 C ATOM 277 C LYS A 478 3.246 6.170 -0.177 1.00 0.74 C ATOM 278 O LYS A 478 2.107 5.911 0.191 1.00 0.80 O ATOM 279 CB LYS A 478 5.022 4.675 0.764 1.00 1.21 C ATOM 280 CG LYS A 478 5.470 5.843 1.634 1.00 1.27 C ATOM 281 CD LYS A 478 6.181 5.349 2.883 1.00 1.66 C ATOM 282 CE LYS A 478 6.585 6.489 3.804 1.00 1.97 C ATOM 283 NZ LYS A 478 7.705 7.297 3.251 1.00 2.30 N ATOM 0 H LYS A 478 6.080 5.643 -1.335 1.00 0.77 H new ATOM 0 HA LYS A 478 3.697 4.167 -0.819 1.00 0.90 H new ATOM 0 HB2 LYS A 478 4.407 4.009 1.368 1.00 1.21 H new ATOM 0 HB3 LYS A 478 5.903 4.109 0.463 1.00 1.21 H new ATOM 0 HG2 LYS A 478 6.136 6.491 1.064 1.00 1.27 H new ATOM 0 HG3 LYS A 478 4.605 6.443 1.917 1.00 1.27 H new ATOM 0 HD2 LYS A 478 5.529 4.662 3.423 1.00 1.66 H new ATOM 0 HD3 LYS A 478 7.068 4.785 2.595 1.00 1.66 H new ATOM 0 HE2 LYS A 478 5.725 7.136 3.976 1.00 1.97 H new ATOM 0 HE3 LYS A 478 6.877 6.083 4.773 1.00 1.97 H new ATOM 0 HZ1 LYS A 478 8.269 7.689 4.032 1.00 2.30 H new ATOM 0 HZ2 LYS A 478 8.309 6.693 2.658 1.00 2.30 H new ATOM 0 HZ3 LYS A 478 7.322 8.074 2.676 1.00 2.30 H new ATOM 297 N ARG A 479 3.697 7.409 -0.325 1.00 0.71 N ATOM 298 CA ARG A 479 2.821 8.566 -0.151 1.00 0.86 C ATOM 299 C ARG A 479 1.708 8.568 -1.207 1.00 0.80 C ATOM 300 O ARG A 479 0.521 8.728 -0.894 1.00 0.90 O ATOM 301 CB ARG A 479 3.642 9.854 -0.246 1.00 1.09 C ATOM 302 CG ARG A 479 4.686 9.999 0.849 1.00 1.22 C ATOM 303 CD ARG A 479 5.553 11.231 0.634 1.00 1.88 C ATOM 304 NE ARG A 479 4.781 12.469 0.712 1.00 2.47 N ATOM 305 CZ ARG A 479 4.862 13.462 -0.174 1.00 3.27 C ATOM 306 NH1 ARG A 479 5.672 13.359 -1.224 1.00 3.65 N ATOM 307 NH2 ARG A 479 4.128 14.556 -0.014 1.00 4.14 N ATOM 0 H ARG A 479 4.661 7.641 -0.564 1.00 0.71 H new ATOM 0 HA ARG A 479 2.356 8.508 0.833 1.00 0.86 H new ATOM 0 HB2 ARG A 479 4.139 9.886 -1.215 1.00 1.09 H new ATOM 0 HB3 ARG A 479 2.966 10.708 -0.206 1.00 1.09 H new ATOM 0 HG2 ARG A 479 4.191 10.066 1.818 1.00 1.22 H new ATOM 0 HG3 ARG A 479 5.316 9.110 0.873 1.00 1.22 H new ATOM 0 HD2 ARG A 479 6.345 11.251 1.382 1.00 1.88 H new ATOM 0 HD3 ARG A 479 6.037 11.167 -0.341 1.00 1.88 H new ATOM 0 HE ARG A 479 4.138 12.581 1.496 1.00 2.47 H new ATOM 0 HH11 ARG A 479 6.234 12.518 -1.354 1.00 3.65 H new ATOM 0 HH12 ARG A 479 5.731 14.121 -1.899 1.00 3.65 H new ATOM 0 HH21 ARG A 479 3.502 14.637 0.787 1.00 4.14 H new ATOM 0 HH22 ARG A 479 4.190 15.316 -0.692 1.00 4.14 H new ATOM 321 N TYR A 480 2.109 8.382 -2.456 1.00 0.83 N ATOM 322 CA TYR A 480 1.188 8.346 -3.585 1.00 1.03 C ATOM 323 C TYR A 480 0.264 7.131 -3.485 1.00 0.82 C ATOM 324 O TYR A 480 -0.959 7.241 -3.610 1.00 0.82 O ATOM 325 CB TYR A 480 2.001 8.314 -4.885 1.00 1.44 C ATOM 326 CG TYR A 480 1.179 8.224 -6.150 1.00 1.81 C ATOM 327 CD1 TYR A 480 0.231 9.196 -6.449 1.00 2.09 C ATOM 328 CD2 TYR A 480 1.337 7.167 -7.038 1.00 2.00 C ATOM 329 CE1 TYR A 480 -0.533 9.118 -7.595 1.00 2.45 C ATOM 330 CE2 TYR A 480 0.578 7.084 -8.190 1.00 2.36 C ATOM 331 CZ TYR A 480 -0.309 8.055 -8.492 1.00 2.55 C ATOM 332 OH TYR A 480 -1.118 7.983 -9.607 1.00 2.93 O ATOM 0 H TYR A 480 3.086 8.251 -2.717 1.00 0.83 H new ATOM 0 HA TYR A 480 0.559 9.236 -3.576 1.00 1.03 H new ATOM 0 HB2 TYR A 480 2.617 9.212 -4.933 1.00 1.44 H new ATOM 0 HB3 TYR A 480 2.681 7.463 -4.850 1.00 1.44 H new ATOM 0 HD1 TYR A 480 0.090 10.026 -5.773 1.00 2.09 H new ATOM 0 HD2 TYR A 480 2.065 6.398 -6.825 1.00 2.00 H new ATOM 0 HE1 TYR A 480 -1.290 9.860 -7.801 1.00 2.45 H new ATOM 0 HE2 TYR A 480 0.695 6.238 -8.851 1.00 2.36 H new ATOM 0 HH TYR A 480 -0.862 7.206 -10.147 1.00 2.93 H new ATOM 342 N LEU A 481 0.852 5.976 -3.224 1.00 0.91 N ATOM 343 CA LEU A 481 0.095 4.742 -3.108 1.00 1.15 C ATOM 344 C LEU A 481 -0.824 4.795 -1.895 1.00 1.03 C ATOM 345 O LEU A 481 -1.829 4.100 -1.845 1.00 1.19 O ATOM 346 CB LEU A 481 1.034 3.537 -3.016 1.00 1.66 C ATOM 347 CG LEU A 481 0.366 2.176 -3.219 1.00 2.09 C ATOM 348 CD1 LEU A 481 -0.299 2.100 -4.587 1.00 2.68 C ATOM 349 CD2 LEU A 481 1.384 1.057 -3.058 1.00 2.73 C ATOM 0 H LEU A 481 1.857 5.867 -3.088 1.00 0.91 H new ATOM 0 HA LEU A 481 -0.517 4.630 -4.003 1.00 1.15 H new ATOM 0 HB2 LEU A 481 1.822 3.652 -3.761 1.00 1.66 H new ATOM 0 HB3 LEU A 481 1.516 3.545 -2.038 1.00 1.66 H new ATOM 0 HG LEU A 481 -0.406 2.056 -2.458 1.00 2.09 H new ATOM 0 HD11 LEU A 481 -0.768 1.124 -4.710 1.00 2.68 H new ATOM 0 HD12 LEU A 481 -1.057 2.879 -4.667 1.00 2.68 H new ATOM 0 HD13 LEU A 481 0.451 2.243 -5.365 1.00 2.68 H new ATOM 0 HD21 LEU A 481 0.893 0.095 -3.205 1.00 2.73 H new ATOM 0 HD22 LEU A 481 2.177 1.177 -3.797 1.00 2.73 H new ATOM 0 HD23 LEU A 481 1.812 1.096 -2.057 1.00 2.73 H new ATOM 361 N MET A 482 -0.477 5.631 -0.925 1.00 1.05 N ATOM 362 CA MET A 482 -1.323 5.837 0.242 1.00 1.49 C ATOM 363 C MET A 482 -2.621 6.503 -0.177 1.00 1.39 C ATOM 364 O MET A 482 -3.698 5.982 0.093 1.00 1.65 O ATOM 365 CB MET A 482 -0.593 6.682 1.299 1.00 2.05 C ATOM 366 CG MET A 482 -1.293 6.744 2.652 1.00 3.10 C ATOM 367 SD MET A 482 -2.728 7.839 2.677 1.00 4.00 S ATOM 368 CE MET A 482 -1.951 9.425 2.381 1.00 4.93 C ATOM 0 H MET A 482 0.384 6.177 -0.924 1.00 1.05 H new ATOM 0 HA MET A 482 -1.552 4.869 0.688 1.00 1.49 H new ATOM 0 HB2 MET A 482 0.409 6.277 1.441 1.00 2.05 H new ATOM 0 HB3 MET A 482 -0.476 7.696 0.918 1.00 2.05 H new ATOM 0 HG2 MET A 482 -1.609 5.740 2.934 1.00 3.10 H new ATOM 0 HG3 MET A 482 -0.579 7.077 3.405 1.00 3.10 H new ATOM 0 HE1 MET A 482 -2.346 10.160 3.082 1.00 4.93 H new ATOM 0 HE2 MET A 482 -0.874 9.334 2.520 1.00 4.93 H new ATOM 0 HE3 MET A 482 -2.160 9.748 1.361 1.00 4.93 H new ATOM 378 N THR A 483 -2.520 7.633 -0.877 1.00 1.25 N ATOM 379 CA THR A 483 -3.714 8.343 -1.320 1.00 1.59 C ATOM 380 C THR A 483 -4.498 7.501 -2.330 1.00 1.32 C ATOM 381 O THR A 483 -5.697 7.706 -2.524 1.00 1.59 O ATOM 382 CB THR A 483 -3.382 9.740 -1.914 1.00 1.93 C ATOM 383 OG1 THR A 483 -4.583 10.493 -2.123 1.00 2.27 O ATOM 384 CG2 THR A 483 -2.636 9.632 -3.234 1.00 2.46 C ATOM 0 H THR A 483 -1.638 8.069 -1.145 1.00 1.25 H new ATOM 0 HA THR A 483 -4.335 8.508 -0.439 1.00 1.59 H new ATOM 0 HB THR A 483 -2.742 10.247 -1.193 1.00 1.93 H new ATOM 0 HG1 THR A 483 -4.358 11.371 -2.496 1.00 2.27 H new ATOM 0 HG21 THR A 483 -2.424 10.631 -3.615 1.00 2.46 H new ATOM 0 HG22 THR A 483 -1.700 9.096 -3.080 1.00 2.46 H new ATOM 0 HG23 THR A 483 -3.249 9.092 -3.955 1.00 2.46 H new ATOM 392 N LEU A 484 -3.816 6.553 -2.969 1.00 0.92 N ATOM 393 CA LEU A 484 -4.483 5.610 -3.862 1.00 0.90 C ATOM 394 C LEU A 484 -5.214 4.516 -3.076 1.00 0.84 C ATOM 395 O LEU A 484 -6.431 4.354 -3.202 1.00 0.91 O ATOM 396 CB LEU A 484 -3.480 4.964 -4.822 1.00 1.15 C ATOM 397 CG LEU A 484 -2.746 5.923 -5.758 1.00 1.69 C ATOM 398 CD1 LEU A 484 -1.859 5.146 -6.716 1.00 2.28 C ATOM 399 CD2 LEU A 484 -3.731 6.794 -6.526 1.00 2.20 C ATOM 0 H LEU A 484 -2.808 6.418 -2.886 1.00 0.92 H new ATOM 0 HA LEU A 484 -5.216 6.176 -4.437 1.00 0.90 H new ATOM 0 HB2 LEU A 484 -2.740 4.422 -4.234 1.00 1.15 H new ATOM 0 HB3 LEU A 484 -4.008 4.227 -5.428 1.00 1.15 H new ATOM 0 HG LEU A 484 -2.118 6.578 -5.154 1.00 1.69 H new ATOM 0 HD11 LEU A 484 -1.342 5.841 -7.378 1.00 2.28 H new ATOM 0 HD12 LEU A 484 -1.127 4.571 -6.149 1.00 2.28 H new ATOM 0 HD13 LEU A 484 -2.471 4.468 -7.310 1.00 2.28 H new ATOM 0 HD21 LEU A 484 -3.184 7.468 -7.185 1.00 2.20 H new ATOM 0 HD22 LEU A 484 -4.390 6.161 -7.120 1.00 2.20 H new ATOM 0 HD23 LEU A 484 -4.325 7.378 -5.823 1.00 2.20 H new ATOM 411 N LEU A 485 -4.474 3.773 -2.255 1.00 1.02 N ATOM 412 CA LEU A 485 -5.032 2.624 -1.552 1.00 1.47 C ATOM 413 C LEU A 485 -6.058 3.049 -0.517 1.00 1.75 C ATOM 414 O LEU A 485 -7.048 2.355 -0.305 1.00 1.92 O ATOM 415 CB LEU A 485 -3.931 1.800 -0.890 1.00 1.90 C ATOM 416 CG LEU A 485 -2.903 1.204 -1.854 1.00 2.48 C ATOM 417 CD1 LEU A 485 -1.877 0.382 -1.094 1.00 3.19 C ATOM 418 CD2 LEU A 485 -3.591 0.352 -2.910 1.00 3.10 C ATOM 0 H LEU A 485 -3.488 3.947 -2.062 1.00 1.02 H new ATOM 0 HA LEU A 485 -5.534 2.004 -2.295 1.00 1.47 H new ATOM 0 HB2 LEU A 485 -3.409 2.430 -0.170 1.00 1.90 H new ATOM 0 HB3 LEU A 485 -4.393 0.989 -0.328 1.00 1.90 H new ATOM 0 HG LEU A 485 -2.387 2.023 -2.356 1.00 2.48 H new ATOM 0 HD11 LEU A 485 -1.153 -0.035 -1.795 1.00 3.19 H new ATOM 0 HD12 LEU A 485 -1.361 1.018 -0.375 1.00 3.19 H new ATOM 0 HD13 LEU A 485 -2.379 -0.429 -0.566 1.00 3.19 H new ATOM 0 HD21 LEU A 485 -2.844 -0.063 -3.586 1.00 3.10 H new ATOM 0 HD22 LEU A 485 -4.133 -0.460 -2.426 1.00 3.10 H new ATOM 0 HD23 LEU A 485 -4.290 0.968 -3.476 1.00 3.10 H new ATOM 430 N ASP A 486 -5.830 4.192 0.122 1.00 1.95 N ATOM 431 CA ASP A 486 -6.798 4.732 1.075 1.00 2.47 C ATOM 432 C ASP A 486 -8.138 4.984 0.387 1.00 2.33 C ATOM 433 O ASP A 486 -9.195 4.965 1.021 1.00 2.75 O ATOM 434 CB ASP A 486 -6.283 6.033 1.692 1.00 2.90 C ATOM 435 CG ASP A 486 -7.160 6.511 2.831 1.00 3.47 C ATOM 436 OD1 ASP A 486 -8.162 7.207 2.573 1.00 3.86 O ATOM 437 OD2 ASP A 486 -6.854 6.188 3.994 1.00 3.72 O ATOM 0 H ASP A 486 -4.991 4.759 0.000 1.00 1.95 H new ATOM 0 HA ASP A 486 -6.936 3.998 1.869 1.00 2.47 H new ATOM 0 HB2 ASP A 486 -5.267 5.883 2.056 1.00 2.90 H new ATOM 0 HB3 ASP A 486 -6.236 6.804 0.923 1.00 2.90 H new ATOM 442 N ASP A 487 -8.084 5.209 -0.919 1.00 1.85 N ATOM 443 CA ASP A 487 -9.284 5.437 -1.710 1.00 1.83 C ATOM 444 C ASP A 487 -9.830 4.115 -2.242 1.00 1.35 C ATOM 445 O ASP A 487 -10.989 4.031 -2.662 1.00 1.40 O ATOM 446 CB ASP A 487 -8.978 6.398 -2.862 1.00 2.05 C ATOM 447 CG ASP A 487 -10.224 6.845 -3.601 1.00 2.41 C ATOM 448 OD1 ASP A 487 -11.128 7.419 -2.955 1.00 2.77 O ATOM 449 OD2 ASP A 487 -10.290 6.659 -4.836 1.00 2.59 O ATOM 0 H ASP A 487 -7.216 5.238 -1.455 1.00 1.85 H new ATOM 0 HA ASP A 487 -10.045 5.888 -1.074 1.00 1.83 H new ATOM 0 HB2 ASP A 487 -8.459 7.273 -2.471 1.00 2.05 H new ATOM 0 HB3 ASP A 487 -8.300 5.913 -3.564 1.00 2.05 H new ATOM 454 N ILE A 488 -8.993 3.078 -2.220 1.00 1.14 N ATOM 455 CA ILE A 488 -9.435 1.746 -2.611 1.00 1.13 C ATOM 456 C ILE A 488 -10.418 1.201 -1.575 1.00 1.43 C ATOM 457 O ILE A 488 -10.048 0.881 -0.445 1.00 2.27 O ATOM 458 CB ILE A 488 -8.263 0.753 -2.782 1.00 1.34 C ATOM 459 CG1 ILE A 488 -7.256 1.261 -3.821 1.00 1.21 C ATOM 460 CG2 ILE A 488 -8.782 -0.622 -3.184 1.00 1.77 C ATOM 461 CD1 ILE A 488 -7.870 1.575 -5.167 1.00 1.67 C ATOM 0 H ILE A 488 -8.015 3.136 -1.938 1.00 1.14 H new ATOM 0 HA ILE A 488 -9.921 1.844 -3.582 1.00 1.13 H new ATOM 0 HB ILE A 488 -7.752 0.671 -1.823 1.00 1.34 H new ATOM 0 HG12 ILE A 488 -6.772 2.158 -3.435 1.00 1.21 H new ATOM 0 HG13 ILE A 488 -6.477 0.511 -3.954 1.00 1.21 H new ATOM 0 HG21 ILE A 488 -7.943 -1.308 -3.300 1.00 1.77 H new ATOM 0 HG22 ILE A 488 -9.454 -0.997 -2.412 1.00 1.77 H new ATOM 0 HG23 ILE A 488 -9.321 -0.546 -4.128 1.00 1.77 H new ATOM 0 HD11 ILE A 488 -7.095 1.928 -5.847 1.00 1.67 H new ATOM 0 HD12 ILE A 488 -8.329 0.675 -5.576 1.00 1.67 H new ATOM 0 HD13 ILE A 488 -8.629 2.348 -5.049 1.00 1.67 H new ATOM 473 N LYS A 489 -11.672 1.097 -1.981 1.00 1.42 N ATOM 474 CA LYS A 489 -12.751 0.688 -1.086 1.00 1.75 C ATOM 475 C LYS A 489 -13.043 -0.802 -1.215 1.00 1.29 C ATOM 476 O LYS A 489 -14.151 -1.262 -0.937 1.00 1.88 O ATOM 477 CB LYS A 489 -13.998 1.518 -1.387 1.00 2.46 C ATOM 478 CG LYS A 489 -14.268 1.652 -2.873 1.00 3.04 C ATOM 479 CD LYS A 489 -15.122 2.864 -3.185 1.00 3.88 C ATOM 480 CE LYS A 489 -14.753 3.454 -4.537 1.00 4.70 C ATOM 481 NZ LYS A 489 -13.331 3.898 -4.573 1.00 5.28 N ATOM 0 H LYS A 489 -11.974 1.292 -2.935 1.00 1.42 H new ATOM 0 HA LYS A 489 -12.441 0.866 -0.056 1.00 1.75 H new ATOM 0 HB2 LYS A 489 -14.861 1.058 -0.905 1.00 2.46 H new ATOM 0 HB3 LYS A 489 -13.882 2.511 -0.952 1.00 2.46 H new ATOM 0 HG2 LYS A 489 -13.322 1.727 -3.409 1.00 3.04 H new ATOM 0 HG3 LYS A 489 -14.768 0.753 -3.234 1.00 3.04 H new ATOM 0 HD2 LYS A 489 -16.175 2.583 -3.182 1.00 3.88 H new ATOM 0 HD3 LYS A 489 -14.991 3.616 -2.407 1.00 3.88 H new ATOM 0 HE2 LYS A 489 -14.923 2.712 -5.317 1.00 4.70 H new ATOM 0 HE3 LYS A 489 -15.404 4.300 -4.755 1.00 4.70 H new ATOM 0 HZ1 LYS A 489 -13.283 4.882 -4.905 1.00 5.28 H new ATOM 0 HZ2 LYS A 489 -12.923 3.834 -3.618 1.00 5.28 H new ATOM 0 HZ3 LYS A 489 -12.793 3.287 -5.221 1.00 5.28 H new ATOM 495 N GLY A 490 -12.036 -1.549 -1.637 1.00 0.91 N ATOM 496 CA GLY A 490 -12.157 -2.986 -1.743 1.00 0.96 C ATOM 497 C GLY A 490 -11.156 -3.688 -0.852 1.00 0.67 C ATOM 498 O GLY A 490 -9.952 -3.634 -1.106 1.00 0.69 O ATOM 0 H GLY A 490 -11.126 -1.179 -1.911 1.00 0.91 H new ATOM 0 HA2 GLY A 490 -13.167 -3.289 -1.468 1.00 0.96 H new ATOM 0 HA3 GLY A 490 -12.003 -3.291 -2.778 1.00 0.96 H new ATOM 502 N ALA A 491 -11.650 -4.348 0.190 1.00 0.70 N ATOM 503 CA ALA A 491 -10.790 -4.989 1.178 1.00 0.84 C ATOM 504 C ALA A 491 -9.931 -6.077 0.542 1.00 0.71 C ATOM 505 O ALA A 491 -8.733 -6.175 0.813 1.00 0.69 O ATOM 506 CB ALA A 491 -11.627 -5.571 2.308 1.00 1.22 C ATOM 0 H ALA A 491 -12.648 -4.453 0.373 1.00 0.70 H new ATOM 0 HA ALA A 491 -10.123 -4.229 1.585 1.00 0.84 H new ATOM 0 HB1 ALA A 491 -10.972 -6.046 3.038 1.00 1.22 H new ATOM 0 HB2 ALA A 491 -12.191 -4.773 2.791 1.00 1.22 H new ATOM 0 HB3 ALA A 491 -12.318 -6.311 1.905 1.00 1.22 H new ATOM 512 N ASN A 492 -10.550 -6.875 -0.317 1.00 0.73 N ATOM 513 CA ASN A 492 -9.860 -7.978 -0.977 1.00 0.78 C ATOM 514 C ASN A 492 -8.769 -7.456 -1.911 1.00 0.65 C ATOM 515 O ASN A 492 -7.648 -7.969 -1.920 1.00 0.67 O ATOM 516 CB ASN A 492 -10.860 -8.827 -1.766 1.00 1.00 C ATOM 517 CG ASN A 492 -10.237 -10.077 -2.351 1.00 1.61 C ATOM 518 OD1 ASN A 492 -9.706 -10.063 -3.460 1.00 2.38 O ATOM 519 ND2 ASN A 492 -10.302 -11.171 -1.609 1.00 2.19 N ATOM 0 H ASN A 492 -11.532 -6.780 -0.575 1.00 0.73 H new ATOM 0 HA ASN A 492 -9.391 -8.595 -0.211 1.00 0.78 H new ATOM 0 HB2 ASN A 492 -11.685 -9.110 -1.112 1.00 1.00 H new ATOM 0 HB3 ASN A 492 -11.283 -8.227 -2.571 1.00 1.00 H new ATOM 0 HD21 ASN A 492 -9.903 -12.045 -1.952 1.00 2.19 H new ATOM 0 HD22 ASN A 492 -10.751 -11.141 -0.694 1.00 2.19 H new ATOM 526 N ASP A 493 -9.099 -6.418 -2.675 1.00 0.63 N ATOM 527 CA ASP A 493 -8.165 -5.839 -3.643 1.00 0.69 C ATOM 528 C ASP A 493 -6.988 -5.183 -2.921 1.00 0.62 C ATOM 529 O ASP A 493 -5.843 -5.267 -3.372 1.00 0.66 O ATOM 530 CB ASP A 493 -8.892 -4.821 -4.531 1.00 0.86 C ATOM 531 CG ASP A 493 -8.058 -4.344 -5.711 1.00 1.33 C ATOM 532 OD1 ASP A 493 -7.356 -5.172 -6.333 1.00 1.46 O ATOM 533 OD2 ASP A 493 -8.123 -3.142 -6.038 1.00 1.97 O ATOM 0 H ASP A 493 -10.009 -5.958 -2.644 1.00 0.63 H new ATOM 0 HA ASP A 493 -7.775 -6.636 -4.276 1.00 0.69 H new ATOM 0 HB2 ASP A 493 -9.813 -5.268 -4.904 1.00 0.86 H new ATOM 0 HB3 ASP A 493 -9.177 -3.961 -3.926 1.00 0.86 H new ATOM 538 N LEU A 494 -7.281 -4.551 -1.786 1.00 0.61 N ATOM 539 CA LEU A 494 -6.251 -3.966 -0.930 1.00 0.69 C ATOM 540 C LEU A 494 -5.281 -5.032 -0.441 1.00 0.57 C ATOM 541 O LEU A 494 -4.061 -4.857 -0.495 1.00 0.56 O ATOM 542 CB LEU A 494 -6.888 -3.270 0.275 1.00 0.91 C ATOM 543 CG LEU A 494 -7.495 -1.899 -0.006 1.00 1.15 C ATOM 544 CD1 LEU A 494 -8.271 -1.405 1.204 1.00 1.74 C ATOM 545 CD2 LEU A 494 -6.403 -0.909 -0.369 1.00 1.77 C ATOM 0 H LEU A 494 -8.231 -4.431 -1.436 1.00 0.61 H new ATOM 0 HA LEU A 494 -5.703 -3.234 -1.523 1.00 0.69 H new ATOM 0 HB2 LEU A 494 -7.667 -3.918 0.677 1.00 0.91 H new ATOM 0 HB3 LEU A 494 -6.131 -3.161 1.052 1.00 0.91 H new ATOM 0 HG LEU A 494 -8.183 -1.988 -0.847 1.00 1.15 H new ATOM 0 HD11 LEU A 494 -8.698 -0.426 0.987 1.00 1.74 H new ATOM 0 HD12 LEU A 494 -9.072 -2.107 1.434 1.00 1.74 H new ATOM 0 HD13 LEU A 494 -7.600 -1.327 2.060 1.00 1.74 H new ATOM 0 HD21 LEU A 494 -6.847 0.066 -0.568 1.00 1.77 H new ATOM 0 HD22 LEU A 494 -5.698 -0.825 0.458 1.00 1.77 H new ATOM 0 HD23 LEU A 494 -5.878 -1.256 -1.259 1.00 1.77 H new ATOM 557 N ALA A 495 -5.836 -6.138 0.043 1.00 0.56 N ATOM 558 CA ALA A 495 -5.029 -7.247 0.527 1.00 0.59 C ATOM 559 C ALA A 495 -4.112 -7.767 -0.578 1.00 0.55 C ATOM 560 O ALA A 495 -2.951 -8.099 -0.331 1.00 0.58 O ATOM 561 CB ALA A 495 -5.915 -8.363 1.052 1.00 0.68 C ATOM 0 H ALA A 495 -6.843 -6.288 0.110 1.00 0.56 H new ATOM 0 HA ALA A 495 -4.408 -6.886 1.347 1.00 0.59 H new ATOM 0 HB1 ALA A 495 -5.293 -9.184 1.410 1.00 0.68 H new ATOM 0 HB2 ALA A 495 -6.526 -7.987 1.872 1.00 0.68 H new ATOM 0 HB3 ALA A 495 -6.562 -8.721 0.251 1.00 0.68 H new ATOM 567 N LYS A 496 -4.635 -7.809 -1.801 1.00 0.59 N ATOM 568 CA LYS A 496 -3.859 -8.252 -2.953 1.00 0.68 C ATOM 569 C LYS A 496 -2.744 -7.258 -3.274 1.00 0.63 C ATOM 570 O LYS A 496 -1.630 -7.661 -3.593 1.00 0.65 O ATOM 571 CB LYS A 496 -4.770 -8.455 -4.166 1.00 0.85 C ATOM 572 CG LYS A 496 -4.041 -8.936 -5.412 1.00 1.29 C ATOM 573 CD LYS A 496 -3.250 -10.206 -5.149 1.00 1.77 C ATOM 574 CE LYS A 496 -2.670 -10.776 -6.432 1.00 2.53 C ATOM 575 NZ LYS A 496 -1.952 -12.056 -6.194 1.00 2.98 N ATOM 0 H LYS A 496 -5.595 -7.541 -2.018 1.00 0.59 H new ATOM 0 HA LYS A 496 -3.397 -9.208 -2.706 1.00 0.68 H new ATOM 0 HB2 LYS A 496 -5.545 -9.177 -3.909 1.00 0.85 H new ATOM 0 HB3 LYS A 496 -5.273 -7.515 -4.392 1.00 0.85 H new ATOM 0 HG2 LYS A 496 -4.763 -9.116 -6.209 1.00 1.29 H new ATOM 0 HG3 LYS A 496 -3.367 -8.154 -5.763 1.00 1.29 H new ATOM 0 HD2 LYS A 496 -2.444 -9.995 -4.446 1.00 1.77 H new ATOM 0 HD3 LYS A 496 -3.896 -10.948 -4.679 1.00 1.77 H new ATOM 0 HE2 LYS A 496 -3.472 -10.938 -7.153 1.00 2.53 H new ATOM 0 HE3 LYS A 496 -1.985 -10.052 -6.874 1.00 2.53 H new ATOM 0 HZ1 LYS A 496 -1.104 -12.095 -6.795 1.00 2.98 H new ATOM 0 HZ2 LYS A 496 -1.671 -12.116 -5.194 1.00 2.98 H new ATOM 0 HZ3 LYS A 496 -2.578 -12.853 -6.426 1.00 2.98 H new ATOM 589 N PHE A 497 -3.040 -5.964 -3.176 1.00 0.64 N ATOM 590 CA PHE A 497 -2.021 -4.933 -3.379 1.00 0.70 C ATOM 591 C PHE A 497 -0.949 -5.014 -2.299 1.00 0.62 C ATOM 592 O PHE A 497 0.219 -4.693 -2.534 1.00 0.67 O ATOM 593 CB PHE A 497 -2.647 -3.535 -3.386 1.00 0.84 C ATOM 594 CG PHE A 497 -3.292 -3.163 -4.691 1.00 0.98 C ATOM 595 CD1 PHE A 497 -2.650 -3.423 -5.890 1.00 1.34 C ATOM 596 CD2 PHE A 497 -4.522 -2.533 -4.716 1.00 1.27 C ATOM 597 CE1 PHE A 497 -3.227 -3.062 -7.092 1.00 1.67 C ATOM 598 CE2 PHE A 497 -5.106 -2.172 -5.915 1.00 1.72 C ATOM 599 CZ PHE A 497 -4.456 -2.436 -7.105 1.00 1.82 C ATOM 0 H PHE A 497 -3.970 -5.605 -2.959 1.00 0.64 H new ATOM 0 HA PHE A 497 -1.559 -5.112 -4.350 1.00 0.70 H new ATOM 0 HB2 PHE A 497 -3.394 -3.478 -2.594 1.00 0.84 H new ATOM 0 HB3 PHE A 497 -1.876 -2.801 -3.151 1.00 0.84 H new ATOM 0 HD1 PHE A 497 -1.688 -3.913 -5.885 1.00 1.34 H new ATOM 0 HD2 PHE A 497 -5.032 -2.321 -3.788 1.00 1.27 H new ATOM 0 HE1 PHE A 497 -2.716 -3.270 -8.021 1.00 1.67 H new ATOM 0 HE2 PHE A 497 -6.069 -1.684 -5.922 1.00 1.72 H new ATOM 0 HZ PHE A 497 -4.909 -2.153 -8.044 1.00 1.82 H new ATOM 609 N HIS A 498 -1.346 -5.481 -1.128 1.00 0.57 N ATOM 610 CA HIS A 498 -0.435 -5.612 -0.005 1.00 0.62 C ATOM 611 C HIS A 498 0.477 -6.796 -0.245 1.00 0.54 C ATOM 612 O HIS A 498 1.700 -6.663 -0.190 1.00 0.56 O ATOM 613 CB HIS A 498 -1.202 -5.791 1.313 1.00 0.75 C ATOM 614 CG HIS A 498 -0.325 -6.016 2.515 1.00 1.03 C ATOM 615 ND1 HIS A 498 1.047 -5.872 2.493 1.00 1.62 N ATOM 616 CD2 HIS A 498 -0.636 -6.399 3.776 1.00 1.49 C ATOM 617 CE1 HIS A 498 1.535 -6.157 3.683 1.00 1.85 C ATOM 618 NE2 HIS A 498 0.539 -6.478 4.480 1.00 1.69 N ATOM 0 H HIS A 498 -2.301 -5.778 -0.930 1.00 0.57 H new ATOM 0 HA HIS A 498 0.156 -4.700 0.078 1.00 0.62 H new ATOM 0 HB2 HIS A 498 -1.815 -4.907 1.486 1.00 0.75 H new ATOM 0 HB3 HIS A 498 -1.883 -6.636 1.212 1.00 0.75 H new ATOM 0 HD1 HIS A 498 1.597 -5.589 1.682 1.00 1.62 H new ATOM 0 HD2 HIS A 498 -1.626 -6.604 4.157 1.00 1.49 H new ATOM 0 HE1 HIS A 498 2.579 -6.131 3.958 1.00 1.85 H new ATOM 627 N GLN A 499 -0.134 -7.947 -0.515 1.00 0.54 N ATOM 628 CA GLN A 499 0.600 -9.158 -0.855 1.00 0.60 C ATOM 629 C GLN A 499 1.548 -8.863 -2.005 1.00 0.53 C ATOM 630 O GLN A 499 2.682 -9.343 -2.040 1.00 0.54 O ATOM 631 CB GLN A 499 -0.377 -10.260 -1.269 1.00 0.77 C ATOM 632 CG GLN A 499 0.260 -11.630 -1.422 1.00 1.43 C ATOM 633 CD GLN A 499 -0.561 -12.556 -2.301 1.00 2.00 C ATOM 634 OE1 GLN A 499 -1.210 -12.114 -3.250 1.00 2.63 O ATOM 635 NE2 GLN A 499 -0.566 -13.839 -1.978 1.00 2.58 N ATOM 0 H GLN A 499 -1.147 -8.064 -0.504 1.00 0.54 H new ATOM 0 HA GLN A 499 1.167 -9.492 0.014 1.00 0.60 H new ATOM 0 HB2 GLN A 499 -1.173 -10.322 -0.527 1.00 0.77 H new ATOM 0 HB3 GLN A 499 -0.843 -9.981 -2.214 1.00 0.77 H new ATOM 0 HG2 GLN A 499 1.257 -11.518 -1.848 1.00 1.43 H new ATOM 0 HG3 GLN A 499 0.383 -12.082 -0.438 1.00 1.43 H new ATOM 0 HE21 GLN A 499 -0.015 -14.167 -1.185 1.00 2.58 H new ATOM 0 HE22 GLN A 499 -1.121 -14.500 -2.522 1.00 2.58 H new ATOM 644 N MET A 500 1.065 -8.040 -2.925 1.00 0.54 N ATOM 645 CA MET A 500 1.818 -7.659 -4.100 1.00 0.63 C ATOM 646 C MET A 500 3.172 -7.067 -3.718 1.00 0.57 C ATOM 647 O MET A 500 4.216 -7.694 -3.916 1.00 0.58 O ATOM 648 CB MET A 500 1.021 -6.659 -4.945 1.00 0.80 C ATOM 649 CG MET A 500 1.729 -6.221 -6.219 1.00 1.26 C ATOM 650 SD MET A 500 0.738 -5.072 -7.193 1.00 1.91 S ATOM 651 CE MET A 500 1.854 -4.730 -8.555 1.00 2.52 C ATOM 0 H MET A 500 0.137 -7.619 -2.873 1.00 0.54 H new ATOM 0 HA MET A 500 1.995 -8.557 -4.691 1.00 0.63 H new ATOM 0 HB2 MET A 500 0.063 -7.106 -5.210 1.00 0.80 H new ATOM 0 HB3 MET A 500 0.806 -5.778 -4.340 1.00 0.80 H new ATOM 0 HG2 MET A 500 2.678 -5.751 -5.961 1.00 1.26 H new ATOM 0 HG3 MET A 500 1.962 -7.098 -6.823 1.00 1.26 H new ATOM 0 HE1 MET A 500 1.382 -4.032 -9.246 1.00 2.52 H new ATOM 0 HE2 MET A 500 2.775 -4.292 -8.170 1.00 2.52 H new ATOM 0 HE3 MET A 500 2.085 -5.658 -9.078 1.00 2.52 H new ATOM 661 N LEU A 501 3.146 -5.881 -3.124 1.00 0.59 N ATOM 662 CA LEU A 501 4.372 -5.147 -2.839 1.00 0.65 C ATOM 663 C LEU A 501 5.216 -5.816 -1.756 1.00 0.56 C ATOM 664 O LEU A 501 6.445 -5.724 -1.782 1.00 0.62 O ATOM 665 CB LEU A 501 4.056 -3.692 -2.472 1.00 0.85 C ATOM 666 CG LEU A 501 2.986 -3.479 -1.389 1.00 1.30 C ATOM 667 CD1 LEU A 501 3.578 -3.579 0.012 1.00 2.09 C ATOM 668 CD2 LEU A 501 2.301 -2.136 -1.584 1.00 1.91 C ATOM 0 H LEU A 501 2.291 -5.408 -2.831 1.00 0.59 H new ATOM 0 HA LEU A 501 4.971 -5.156 -3.750 1.00 0.65 H new ATOM 0 HB2 LEU A 501 4.978 -3.215 -2.140 1.00 0.85 H new ATOM 0 HB3 LEU A 501 3.736 -3.173 -3.376 1.00 0.85 H new ATOM 0 HG LEU A 501 2.246 -4.273 -1.490 1.00 1.30 H new ATOM 0 HD11 LEU A 501 2.792 -3.423 0.751 1.00 2.09 H new ATOM 0 HD12 LEU A 501 4.017 -4.567 0.152 1.00 2.09 H new ATOM 0 HD13 LEU A 501 4.349 -2.819 0.136 1.00 2.09 H new ATOM 0 HD21 LEU A 501 1.545 -1.997 -0.811 1.00 1.91 H new ATOM 0 HD22 LEU A 501 3.040 -1.338 -1.517 1.00 1.91 H new ATOM 0 HD23 LEU A 501 1.826 -2.109 -2.565 1.00 1.91 H new ATOM 680 N VAL A 502 4.577 -6.509 -0.822 1.00 0.53 N ATOM 681 CA VAL A 502 5.322 -7.138 0.255 1.00 0.64 C ATOM 682 C VAL A 502 6.043 -8.384 -0.258 1.00 0.61 C ATOM 683 O VAL A 502 7.071 -8.776 0.283 1.00 0.73 O ATOM 684 CB VAL A 502 4.443 -7.470 1.491 1.00 0.86 C ATOM 685 CG1 VAL A 502 3.475 -8.610 1.221 1.00 1.11 C ATOM 686 CG2 VAL A 502 5.313 -7.782 2.700 1.00 1.02 C ATOM 0 H VAL A 502 3.567 -6.647 -0.789 1.00 0.53 H new ATOM 0 HA VAL A 502 6.061 -6.413 0.597 1.00 0.64 H new ATOM 0 HB VAL A 502 3.845 -6.584 1.705 1.00 0.86 H new ATOM 0 HG11 VAL A 502 2.883 -8.804 2.115 1.00 1.11 H new ATOM 0 HG12 VAL A 502 2.812 -8.338 0.399 1.00 1.11 H new ATOM 0 HG13 VAL A 502 4.034 -9.507 0.954 1.00 1.11 H new ATOM 0 HG21 VAL A 502 4.678 -8.012 3.556 1.00 1.02 H new ATOM 0 HG22 VAL A 502 5.949 -8.639 2.479 1.00 1.02 H new ATOM 0 HG23 VAL A 502 5.936 -6.918 2.932 1.00 1.02 H new ATOM 696 N LYS A 503 5.519 -8.992 -1.321 1.00 0.58 N ATOM 697 CA LYS A 503 6.224 -10.087 -1.979 1.00 0.71 C ATOM 698 C LYS A 503 7.242 -9.557 -2.981 1.00 0.69 C ATOM 699 O LYS A 503 8.201 -10.253 -3.322 1.00 0.84 O ATOM 700 CB LYS A 503 5.250 -11.043 -2.665 1.00 0.88 C ATOM 701 CG LYS A 503 4.573 -11.993 -1.698 1.00 1.35 C ATOM 702 CD LYS A 503 3.704 -13.006 -2.420 1.00 1.44 C ATOM 703 CE LYS A 503 3.450 -14.222 -1.549 1.00 2.04 C ATOM 704 NZ LYS A 503 4.718 -14.925 -1.213 1.00 2.54 N ATOM 0 H LYS A 503 4.621 -8.748 -1.739 1.00 0.58 H new ATOM 0 HA LYS A 503 6.757 -10.643 -1.207 1.00 0.71 H new ATOM 0 HB2 LYS A 503 4.490 -10.464 -3.189 1.00 0.88 H new ATOM 0 HB3 LYS A 503 5.786 -11.621 -3.418 1.00 0.88 H new ATOM 0 HG2 LYS A 503 5.329 -12.515 -1.112 1.00 1.35 H new ATOM 0 HG3 LYS A 503 3.962 -11.424 -0.997 1.00 1.35 H new ATOM 0 HD2 LYS A 503 2.755 -12.546 -2.695 1.00 1.44 H new ATOM 0 HD3 LYS A 503 4.190 -13.313 -3.346 1.00 1.44 H new ATOM 0 HE2 LYS A 503 2.948 -13.915 -0.631 1.00 2.04 H new ATOM 0 HE3 LYS A 503 2.778 -14.907 -2.066 1.00 2.04 H new ATOM 0 HZ1 LYS A 503 4.524 -15.934 -1.054 1.00 2.54 H new ATOM 0 HZ2 LYS A 503 5.391 -14.821 -1.999 1.00 2.54 H new ATOM 0 HZ3 LYS A 503 5.126 -14.511 -0.351 1.00 2.54 H new ATOM 718 N ILE A 504 7.024 -8.338 -3.467 1.00 0.62 N ATOM 719 CA ILE A 504 8.005 -7.667 -4.315 1.00 0.73 C ATOM 720 C ILE A 504 9.318 -7.472 -3.558 1.00 0.73 C ATOM 721 O ILE A 504 10.405 -7.715 -4.094 1.00 0.85 O ATOM 722 CB ILE A 504 7.495 -6.292 -4.815 1.00 0.87 C ATOM 723 CG1 ILE A 504 6.303 -6.479 -5.760 1.00 1.30 C ATOM 724 CG2 ILE A 504 8.610 -5.522 -5.513 1.00 1.34 C ATOM 725 CD1 ILE A 504 5.715 -5.178 -6.266 1.00 1.75 C ATOM 0 H ILE A 504 6.179 -7.796 -3.289 1.00 0.62 H new ATOM 0 HA ILE A 504 8.168 -8.306 -5.182 1.00 0.73 H new ATOM 0 HB ILE A 504 7.170 -5.712 -3.951 1.00 0.87 H new ATOM 0 HG12 ILE A 504 6.618 -7.081 -6.613 1.00 1.30 H new ATOM 0 HG13 ILE A 504 5.526 -7.041 -5.243 1.00 1.30 H new ATOM 0 HG21 ILE A 504 8.229 -4.560 -5.856 1.00 1.34 H new ATOM 0 HG22 ILE A 504 9.432 -5.359 -4.815 1.00 1.34 H new ATOM 0 HG23 ILE A 504 8.968 -6.095 -6.368 1.00 1.34 H new ATOM 0 HD11 ILE A 504 4.876 -5.391 -6.929 1.00 1.75 H new ATOM 0 HD12 ILE A 504 5.368 -4.583 -5.421 1.00 1.75 H new ATOM 0 HD13 ILE A 504 6.477 -4.623 -6.813 1.00 1.75 H new ATOM 737 N ILE A 505 9.209 -7.054 -2.305 1.00 0.71 N ATOM 738 CA ILE A 505 10.381 -6.793 -1.480 1.00 0.85 C ATOM 739 C ILE A 505 10.820 -8.042 -0.718 1.00 0.97 C ATOM 740 O ILE A 505 11.976 -8.454 -0.811 1.00 1.20 O ATOM 741 CB ILE A 505 10.120 -5.636 -0.490 1.00 1.10 C ATOM 742 CG1 ILE A 505 9.812 -4.351 -1.262 1.00 1.49 C ATOM 743 CG2 ILE A 505 11.309 -5.428 0.440 1.00 1.83 C ATOM 744 CD1 ILE A 505 10.901 -3.953 -2.240 1.00 2.19 C ATOM 745 OXT ILE A 505 9.961 -8.616 -0.013 1.00 1.58 O ATOM 0 H ILE A 505 8.319 -6.888 -1.836 1.00 0.71 H new ATOM 0 HA ILE A 505 11.187 -6.502 -2.154 1.00 0.85 H new ATOM 0 HB ILE A 505 9.259 -5.898 0.126 1.00 1.10 H new ATOM 0 HG12 ILE A 505 8.876 -4.480 -1.806 1.00 1.49 H new ATOM 0 HG13 ILE A 505 9.659 -3.538 -0.552 1.00 1.49 H new ATOM 0 HG21 ILE A 505 11.096 -4.607 1.125 1.00 1.83 H new ATOM 0 HG22 ILE A 505 11.489 -6.339 1.010 1.00 1.83 H new ATOM 0 HG23 ILE A 505 12.194 -5.188 -0.149 1.00 1.83 H new ATOM 0 HD11 ILE A 505 10.613 -3.034 -2.750 1.00 2.19 H new ATOM 0 HD12 ILE A 505 11.834 -3.792 -1.700 1.00 2.19 H new ATOM 0 HD13 ILE A 505 11.039 -4.747 -2.974 1.00 2.19 H new TER 757 ILE A 505