USER MOD reduce.3.24.130724 H: found=0, std=0, add=392, rem=0, adj=11 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 Single : A 462 SER OG : rot 180:sc= 0 USER MOD Single : A 466 SER OG : rot 180:sc= 0 USER MOD Single : A 469 LYS NZ :NH3+ 171:sc=-0.00592 (180deg=-0.0744) USER MOD Single : A 470 SER OG : rot -81:sc= 1.26 USER MOD Single : A 471 SER OG : rot 35:sc= -0.981! USER MOD Single : A 478 LYS NZ :NH3+ -177:sc= 1.81 (180deg=1.67) USER MOD Single : A 480 TYR OH : rot 180:sc= 0 USER MOD Single : A 482 MET CE :methyl -120:sc=-0.00337 (180deg=-1.99!) USER MOD Single : A 483 THR OG1 : rot 68:sc= 1.26 USER MOD Single : A 489 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 492 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 496 LYS NZ :NH3+ 152:sc= -0.155 (180deg=-0.819) USER MOD Single : A 498 HIS : no HD1:sc= -0.107 X(o=-0.11,f=-0.0067) USER MOD Single : A 499 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.12) USER MOD Single : A 500 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 503 LYS NZ :NH3+ 156:sc= -0.363 (180deg=-1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 462 -6.586 0.833 6.484 1.00 1.77 N ATOM 2 CA SER A 462 -5.579 0.744 7.533 1.00 1.60 C ATOM 3 C SER A 462 -4.456 -0.241 7.215 1.00 1.25 C ATOM 4 O SER A 462 -3.291 0.066 7.452 1.00 1.09 O ATOM 5 CB SER A 462 -6.255 0.355 8.851 1.00 1.97 C ATOM 6 OG SER A 462 -5.356 0.436 9.944 1.00 2.70 O ATOM 0 HA SER A 462 -5.113 1.726 7.612 1.00 1.60 H new ATOM 0 HB2 SER A 462 -7.107 1.011 9.031 1.00 1.97 H new ATOM 0 HB3 SER A 462 -6.645 -0.660 8.775 1.00 1.97 H new ATOM 0 HG SER A 462 -5.820 0.183 10.769 1.00 2.70 H new ATOM 14 N VAL A 463 -4.798 -1.411 6.676 1.00 1.25 N ATOM 15 CA VAL A 463 -3.800 -2.455 6.432 1.00 1.07 C ATOM 16 C VAL A 463 -2.642 -1.931 5.577 1.00 0.89 C ATOM 17 O VAL A 463 -1.527 -1.731 6.072 1.00 0.76 O ATOM 18 CB VAL A 463 -4.418 -3.701 5.748 1.00 1.28 C ATOM 19 CG1 VAL A 463 -3.372 -4.797 5.572 1.00 1.28 C ATOM 20 CG2 VAL A 463 -5.600 -4.220 6.553 1.00 1.50 C ATOM 0 H VAL A 463 -5.749 -1.659 6.402 1.00 1.25 H new ATOM 0 HA VAL A 463 -3.419 -2.750 7.410 1.00 1.07 H new ATOM 0 HB VAL A 463 -4.773 -3.406 4.761 1.00 1.28 H new ATOM 0 HG11 VAL A 463 -3.828 -5.662 5.090 1.00 1.28 H new ATOM 0 HG12 VAL A 463 -2.556 -4.425 4.953 1.00 1.28 H new ATOM 0 HG13 VAL A 463 -2.983 -5.089 6.548 1.00 1.28 H new ATOM 0 HG21 VAL A 463 -6.021 -5.095 6.058 1.00 1.50 H new ATOM 0 HG22 VAL A 463 -5.266 -4.495 7.554 1.00 1.50 H new ATOM 0 HG23 VAL A 463 -6.361 -3.443 6.625 1.00 1.50 H new ATOM 30 N ILE A 464 -2.916 -1.671 4.308 1.00 1.02 N ATOM 31 CA ILE A 464 -1.878 -1.239 3.385 1.00 1.02 C ATOM 32 C ILE A 464 -1.397 0.167 3.730 1.00 0.88 C ATOM 33 O ILE A 464 -0.213 0.473 3.593 1.00 0.84 O ATOM 34 CB ILE A 464 -2.368 -1.281 1.920 1.00 1.35 C ATOM 35 CG1 ILE A 464 -2.810 -2.699 1.552 1.00 1.81 C ATOM 36 CG2 ILE A 464 -1.275 -0.805 0.968 1.00 1.96 C ATOM 37 CD1 ILE A 464 -1.723 -3.734 1.736 1.00 2.72 C ATOM 0 H ILE A 464 -3.845 -1.751 3.895 1.00 1.02 H new ATOM 0 HA ILE A 464 -1.045 -1.935 3.487 1.00 1.02 H new ATOM 0 HB ILE A 464 -3.220 -0.608 1.824 1.00 1.35 H new ATOM 0 HG12 ILE A 464 -3.670 -2.974 2.163 1.00 1.81 H new ATOM 0 HG13 ILE A 464 -3.140 -2.711 0.513 1.00 1.81 H new ATOM 0 HG21 ILE A 464 -1.643 -0.843 -0.057 1.00 1.96 H new ATOM 0 HG22 ILE A 464 -0.998 0.220 1.216 1.00 1.96 H new ATOM 0 HG23 ILE A 464 -0.402 -1.451 1.064 1.00 1.96 H new ATOM 0 HD11 ILE A 464 -2.105 -4.716 1.457 1.00 2.72 H new ATOM 0 HD12 ILE A 464 -0.871 -3.483 1.104 1.00 2.72 H new ATOM 0 HD13 ILE A 464 -1.409 -3.750 2.780 1.00 2.72 H new ATOM 49 N ARG A 465 -2.309 1.005 4.213 1.00 0.94 N ATOM 50 CA ARG A 465 -1.975 2.390 4.523 1.00 0.95 C ATOM 51 C ARG A 465 -0.955 2.460 5.653 1.00 0.83 C ATOM 52 O ARG A 465 -0.080 3.322 5.659 1.00 0.90 O ATOM 53 CB ARG A 465 -3.230 3.178 4.895 1.00 1.18 C ATOM 54 CG ARG A 465 -3.027 4.679 4.869 1.00 1.57 C ATOM 55 CD ARG A 465 -4.323 5.406 5.159 1.00 1.81 C ATOM 56 NE ARG A 465 -4.222 6.836 4.890 1.00 2.13 N ATOM 57 CZ ARG A 465 -5.191 7.545 4.319 1.00 2.61 C ATOM 58 NH1 ARG A 465 -6.329 6.953 3.974 1.00 2.88 N ATOM 59 NH2 ARG A 465 -5.026 8.841 4.095 1.00 3.37 N ATOM 0 H ARG A 465 -3.280 0.751 4.397 1.00 0.94 H new ATOM 0 HA ARG A 465 -1.535 2.838 3.632 1.00 0.95 H new ATOM 0 HB2 ARG A 465 -4.033 2.915 4.206 1.00 1.18 H new ATOM 0 HB3 ARG A 465 -3.555 2.880 5.892 1.00 1.18 H new ATOM 0 HG2 ARG A 465 -2.275 4.961 5.606 1.00 1.57 H new ATOM 0 HG3 ARG A 465 -2.646 4.981 3.893 1.00 1.57 H new ATOM 0 HD2 ARG A 465 -5.121 4.979 4.552 1.00 1.81 H new ATOM 0 HD3 ARG A 465 -4.599 5.252 6.202 1.00 1.81 H new ATOM 0 HE ARG A 465 -3.362 7.318 5.154 1.00 2.13 H new ATOM 0 HH11 ARG A 465 -6.458 5.956 4.147 1.00 2.88 H new ATOM 0 HH12 ARG A 465 -7.074 7.495 3.536 1.00 2.88 H new ATOM 0 HH21 ARG A 465 -4.153 9.297 4.361 1.00 3.37 H new ATOM 0 HH22 ARG A 465 -5.772 9.382 3.657 1.00 3.37 H new ATOM 73 N SER A 466 -1.072 1.548 6.605 1.00 0.80 N ATOM 74 CA SER A 466 -0.101 1.441 7.676 1.00 0.87 C ATOM 75 C SER A 466 1.202 0.858 7.139 1.00 0.85 C ATOM 76 O SER A 466 2.293 1.356 7.443 1.00 1.03 O ATOM 77 CB SER A 466 -0.652 0.570 8.810 1.00 0.96 C ATOM 78 OG SER A 466 0.305 0.392 9.841 1.00 1.63 O ATOM 0 H SER A 466 -1.833 0.871 6.656 1.00 0.80 H new ATOM 0 HA SER A 466 0.098 2.436 8.074 1.00 0.87 H new ATOM 0 HB2 SER A 466 -1.550 1.032 9.221 1.00 0.96 H new ATOM 0 HB3 SER A 466 -0.946 -0.402 8.414 1.00 0.96 H new ATOM 0 HG SER A 466 -0.078 -0.166 10.550 1.00 1.63 H new ATOM 84 N ILE A 467 1.087 -0.187 6.318 1.00 0.78 N ATOM 85 CA ILE A 467 2.265 -0.848 5.774 1.00 0.91 C ATOM 86 C ILE A 467 3.124 0.121 4.962 1.00 0.96 C ATOM 87 O ILE A 467 4.302 0.306 5.276 1.00 1.18 O ATOM 88 CB ILE A 467 1.912 -2.083 4.915 1.00 1.02 C ATOM 89 CG1 ILE A 467 1.160 -3.106 5.765 1.00 1.14 C ATOM 90 CG2 ILE A 467 3.175 -2.703 4.331 1.00 1.24 C ATOM 91 CD1 ILE A 467 0.673 -4.306 4.987 1.00 1.59 C ATOM 0 H ILE A 467 0.198 -0.588 6.020 1.00 0.78 H new ATOM 0 HA ILE A 467 2.838 -1.196 6.634 1.00 0.91 H new ATOM 0 HB ILE A 467 1.272 -1.769 4.090 1.00 1.02 H new ATOM 0 HG12 ILE A 467 1.813 -3.446 6.569 1.00 1.14 H new ATOM 0 HG13 ILE A 467 0.306 -2.617 6.233 1.00 1.14 H new ATOM 0 HG21 ILE A 467 2.909 -3.572 3.729 1.00 1.24 H new ATOM 0 HG22 ILE A 467 3.684 -1.970 3.705 1.00 1.24 H new ATOM 0 HG23 ILE A 467 3.837 -3.012 5.140 1.00 1.24 H new ATOM 0 HD11 ILE A 467 0.149 -4.987 5.658 1.00 1.59 H new ATOM 0 HD12 ILE A 467 -0.006 -3.978 4.200 1.00 1.59 H new ATOM 0 HD13 ILE A 467 1.524 -4.820 4.541 1.00 1.59 H new ATOM 103 N ILE A 468 2.549 0.773 3.950 1.00 0.87 N ATOM 104 CA ILE A 468 3.344 1.674 3.123 1.00 0.99 C ATOM 105 C ILE A 468 3.868 2.844 3.926 1.00 1.08 C ATOM 106 O ILE A 468 5.012 3.245 3.750 1.00 1.27 O ATOM 107 CB ILE A 468 2.643 2.159 1.815 1.00 1.02 C ATOM 108 CG1 ILE A 468 1.223 2.717 2.041 1.00 0.80 C ATOM 109 CG2 ILE A 468 2.602 1.027 0.802 1.00 1.34 C ATOM 110 CD1 ILE A 468 1.180 4.111 2.630 1.00 1.65 C ATOM 0 H ILE A 468 1.566 0.697 3.690 1.00 0.87 H new ATOM 0 HA ILE A 468 4.185 1.068 2.785 1.00 0.99 H new ATOM 0 HB ILE A 468 3.239 2.989 1.435 1.00 1.02 H new ATOM 0 HG12 ILE A 468 0.693 2.723 1.088 1.00 0.80 H new ATOM 0 HG13 ILE A 468 0.682 2.040 2.703 1.00 0.80 H new ATOM 0 HG21 ILE A 468 2.112 1.371 -0.109 1.00 1.34 H new ATOM 0 HG22 ILE A 468 3.619 0.710 0.569 1.00 1.34 H new ATOM 0 HG23 ILE A 468 2.046 0.187 1.218 1.00 1.34 H new ATOM 0 HD11 ILE A 468 0.143 4.422 2.754 1.00 1.65 H new ATOM 0 HD12 ILE A 468 1.678 4.112 3.600 1.00 1.65 H new ATOM 0 HD13 ILE A 468 1.689 4.805 1.961 1.00 1.65 H new ATOM 122 N LYS A 469 3.073 3.340 4.851 1.00 1.04 N ATOM 123 CA LYS A 469 3.493 4.452 5.670 1.00 1.27 C ATOM 124 C LYS A 469 4.745 4.088 6.467 1.00 1.47 C ATOM 125 O LYS A 469 5.643 4.917 6.648 1.00 1.68 O ATOM 126 CB LYS A 469 2.368 4.873 6.601 1.00 1.35 C ATOM 127 CG LYS A 469 2.770 5.974 7.545 1.00 1.75 C ATOM 128 CD LYS A 469 1.582 6.494 8.332 1.00 1.96 C ATOM 129 CE LYS A 469 2.005 7.484 9.405 1.00 2.66 C ATOM 130 NZ LYS A 469 2.755 8.641 8.849 1.00 2.97 N ATOM 0 H LYS A 469 2.136 2.991 5.052 1.00 1.04 H new ATOM 0 HA LYS A 469 3.736 5.292 5.019 1.00 1.27 H new ATOM 0 HB2 LYS A 469 1.516 5.204 6.007 1.00 1.35 H new ATOM 0 HB3 LYS A 469 2.038 4.009 7.178 1.00 1.35 H new ATOM 0 HG2 LYS A 469 3.530 5.605 8.233 1.00 1.75 H new ATOM 0 HG3 LYS A 469 3.220 6.791 6.982 1.00 1.75 H new ATOM 0 HD2 LYS A 469 0.878 6.974 7.652 1.00 1.96 H new ATOM 0 HD3 LYS A 469 1.059 5.658 8.795 1.00 1.96 H new ATOM 0 HE2 LYS A 469 1.121 7.847 9.929 1.00 2.66 H new ATOM 0 HE3 LYS A 469 2.625 6.973 10.142 1.00 2.66 H new ATOM 0 HZ1 LYS A 469 2.888 9.358 9.591 1.00 2.97 H new ATOM 0 HZ2 LYS A 469 3.684 8.321 8.507 1.00 2.97 H new ATOM 0 HZ3 LYS A 469 2.219 9.055 8.060 1.00 2.97 H new ATOM 144 N SER A 470 4.815 2.841 6.913 1.00 1.46 N ATOM 145 CA SER A 470 5.971 2.370 7.656 1.00 1.71 C ATOM 146 C SER A 470 6.995 1.689 6.743 1.00 1.82 C ATOM 147 O SER A 470 8.059 1.273 7.207 1.00 2.10 O ATOM 148 CB SER A 470 5.525 1.416 8.767 1.00 1.74 C ATOM 149 OG SER A 470 4.679 0.395 8.259 1.00 2.10 O ATOM 0 H SER A 470 4.086 2.141 6.773 1.00 1.46 H new ATOM 0 HA SER A 470 6.459 3.237 8.101 1.00 1.71 H new ATOM 0 HB2 SER A 470 6.400 0.967 9.237 1.00 1.74 H new ATOM 0 HB3 SER A 470 5.000 1.975 9.541 1.00 1.74 H new ATOM 0 HG SER A 470 3.766 0.740 8.171 1.00 2.10 H new ATOM 155 N SER A 471 6.675 1.566 5.455 1.00 1.68 N ATOM 156 CA SER A 471 7.603 0.978 4.491 1.00 1.90 C ATOM 157 C SER A 471 8.892 1.793 4.402 1.00 1.57 C ATOM 158 O SER A 471 8.876 3.023 4.490 1.00 1.83 O ATOM 159 CB SER A 471 6.953 0.871 3.111 1.00 2.65 C ATOM 160 OG SER A 471 5.878 -0.053 3.124 1.00 3.40 O ATOM 0 H SER A 471 5.784 1.864 5.057 1.00 1.68 H new ATOM 0 HA SER A 471 7.853 -0.024 4.840 1.00 1.90 H new ATOM 0 HB2 SER A 471 6.591 1.851 2.799 1.00 2.65 H new ATOM 0 HB3 SER A 471 7.697 0.558 2.378 1.00 2.65 H new ATOM 0 HG SER A 471 5.419 -0.009 3.989 1.00 3.40 H new ATOM 166 N ARG A 472 10.005 1.089 4.241 1.00 1.77 N ATOM 167 CA ARG A 472 11.317 1.711 4.214 1.00 1.99 C ATOM 168 C ARG A 472 11.685 2.160 2.800 1.00 1.90 C ATOM 169 O ARG A 472 12.541 3.025 2.616 1.00 2.38 O ATOM 170 CB ARG A 472 12.352 0.714 4.745 1.00 2.75 C ATOM 171 CG ARG A 472 13.752 1.284 4.879 1.00 3.26 C ATOM 172 CD ARG A 472 14.735 0.232 5.366 1.00 3.92 C ATOM 173 NE ARG A 472 16.077 0.776 5.561 1.00 4.22 N ATOM 174 CZ ARG A 472 17.149 0.036 5.834 1.00 4.90 C ATOM 175 NH1 ARG A 472 17.059 -1.287 5.880 1.00 5.31 N ATOM 176 NH2 ARG A 472 18.317 0.620 6.045 1.00 5.50 N ATOM 0 H ARG A 472 10.021 0.076 4.126 1.00 1.77 H new ATOM 0 HA ARG A 472 11.302 2.598 4.847 1.00 1.99 H new ATOM 0 HB2 ARG A 472 12.024 0.352 5.719 1.00 2.75 H new ATOM 0 HB3 ARG A 472 12.385 -0.148 4.079 1.00 2.75 H new ATOM 0 HG2 ARG A 472 14.081 1.674 3.916 1.00 3.26 H new ATOM 0 HG3 ARG A 472 13.740 2.123 5.575 1.00 3.26 H new ATOM 0 HD2 ARG A 472 14.376 -0.190 6.305 1.00 3.92 H new ATOM 0 HD3 ARG A 472 14.777 -0.584 4.645 1.00 3.92 H new ATOM 0 HE ARG A 472 16.200 1.786 5.483 1.00 4.22 H new ATOM 0 HH11 ARG A 472 16.164 -1.744 5.705 1.00 5.31 H new ATOM 0 HH12 ARG A 472 17.885 -1.847 6.090 1.00 5.31 H new ATOM 0 HH21 ARG A 472 18.395 1.636 5.998 1.00 5.50 H new ATOM 0 HH22 ARG A 472 19.140 0.054 6.254 1.00 5.50 H new ATOM 190 N LEU A 473 11.022 1.584 1.806 1.00 1.57 N ATOM 191 CA LEU A 473 11.361 1.839 0.410 1.00 1.68 C ATOM 192 C LEU A 473 10.353 2.783 -0.239 1.00 1.46 C ATOM 193 O LEU A 473 9.263 2.982 0.297 1.00 2.00 O ATOM 194 CB LEU A 473 11.400 0.527 -0.386 1.00 2.11 C ATOM 195 CG LEU A 473 10.042 0.008 -0.884 1.00 1.80 C ATOM 196 CD1 LEU A 473 10.235 -1.202 -1.780 1.00 2.32 C ATOM 197 CD2 LEU A 473 9.120 -0.343 0.277 1.00 2.17 C ATOM 0 H LEU A 473 10.245 0.936 1.939 1.00 1.57 H new ATOM 0 HA LEU A 473 12.346 2.305 0.395 1.00 1.68 H new ATOM 0 HB2 LEU A 473 12.053 0.666 -1.248 1.00 2.11 H new ATOM 0 HB3 LEU A 473 11.855 -0.242 0.238 1.00 2.11 H new ATOM 0 HG LEU A 473 9.572 0.807 -1.458 1.00 1.80 H new ATOM 0 HD11 LEU A 473 9.264 -1.558 -2.125 1.00 2.32 H new ATOM 0 HD12 LEU A 473 10.846 -0.925 -2.639 1.00 2.32 H new ATOM 0 HD13 LEU A 473 10.734 -1.993 -1.220 1.00 2.32 H new ATOM 0 HD21 LEU A 473 8.169 -0.707 -0.111 1.00 2.17 H new ATOM 0 HD22 LEU A 473 9.583 -1.118 0.888 1.00 2.17 H new ATOM 0 HD23 LEU A 473 8.948 0.544 0.886 1.00 2.17 H new ATOM 209 N GLU A 474 10.753 3.339 -1.393 1.00 1.28 N ATOM 210 CA GLU A 474 9.899 4.155 -2.268 1.00 1.36 C ATOM 211 C GLU A 474 8.786 4.887 -1.518 1.00 1.06 C ATOM 212 O GLU A 474 7.612 4.517 -1.601 1.00 1.14 O ATOM 213 CB GLU A 474 9.315 3.261 -3.361 1.00 1.92 C ATOM 214 CG GLU A 474 10.371 2.671 -4.283 1.00 2.48 C ATOM 215 CD GLU A 474 9.827 1.577 -5.179 1.00 3.00 C ATOM 216 OE1 GLU A 474 9.271 1.903 -6.245 1.00 3.36 O ATOM 217 OE2 GLU A 474 9.940 0.390 -4.819 1.00 3.47 O ATOM 0 H GLU A 474 11.702 3.231 -1.751 1.00 1.28 H new ATOM 0 HA GLU A 474 10.523 4.935 -2.705 1.00 1.36 H new ATOM 0 HB2 GLU A 474 8.754 2.450 -2.896 1.00 1.92 H new ATOM 0 HB3 GLU A 474 8.607 3.839 -3.954 1.00 1.92 H new ATOM 0 HG2 GLU A 474 10.791 3.465 -4.901 1.00 2.48 H new ATOM 0 HG3 GLU A 474 11.187 2.269 -3.682 1.00 2.48 H new ATOM 224 N GLU A 475 9.149 5.943 -0.809 1.00 0.94 N ATOM 225 CA GLU A 475 8.195 6.639 0.037 1.00 0.84 C ATOM 226 C GLU A 475 7.242 7.521 -0.759 1.00 0.73 C ATOM 227 O GLU A 475 6.154 7.825 -0.285 1.00 0.73 O ATOM 228 CB GLU A 475 8.907 7.437 1.120 1.00 1.20 C ATOM 229 CG GLU A 475 9.457 6.551 2.221 1.00 1.66 C ATOM 230 CD GLU A 475 10.076 7.347 3.349 1.00 2.13 C ATOM 231 OE1 GLU A 475 9.341 7.731 4.282 1.00 2.49 O ATOM 232 OE2 GLU A 475 11.298 7.598 3.308 1.00 2.79 O ATOM 0 H GLU A 475 10.091 6.335 -0.802 1.00 0.94 H new ATOM 0 HA GLU A 475 7.585 5.875 0.519 1.00 0.84 H new ATOM 0 HB2 GLU A 475 9.723 8.005 0.673 1.00 1.20 H new ATOM 0 HB3 GLU A 475 8.214 8.160 1.551 1.00 1.20 H new ATOM 0 HG2 GLU A 475 8.655 5.929 2.617 1.00 1.66 H new ATOM 0 HG3 GLU A 475 10.205 5.878 1.802 1.00 1.66 H new ATOM 239 N ASP A 476 7.612 7.921 -1.968 1.00 0.88 N ATOM 240 CA ASP A 476 6.657 8.633 -2.813 1.00 0.98 C ATOM 241 C ASP A 476 5.652 7.649 -3.368 1.00 0.85 C ATOM 242 O ASP A 476 4.502 7.997 -3.622 1.00 0.84 O ATOM 243 CB ASP A 476 7.313 9.404 -3.956 1.00 1.36 C ATOM 244 CG ASP A 476 8.009 10.669 -3.489 1.00 2.00 C ATOM 245 OD1 ASP A 476 7.312 11.604 -3.030 1.00 2.63 O ATOM 246 OD2 ASP A 476 9.248 10.748 -3.606 1.00 2.43 O ATOM 0 H ASP A 476 8.534 7.773 -2.378 1.00 0.88 H new ATOM 0 HA ASP A 476 6.166 9.375 -2.184 1.00 0.98 H new ATOM 0 HB2 ASP A 476 8.037 8.759 -4.455 1.00 1.36 H new ATOM 0 HB3 ASP A 476 6.555 9.664 -4.695 1.00 1.36 H new ATOM 251 N ARG A 477 6.091 6.407 -3.550 1.00 0.89 N ATOM 252 CA ARG A 477 5.177 5.334 -3.895 1.00 0.96 C ATOM 253 C ARG A 477 4.164 5.154 -2.780 1.00 0.80 C ATOM 254 O ARG A 477 2.979 5.018 -3.037 1.00 0.85 O ATOM 255 CB ARG A 477 5.915 4.017 -4.126 1.00 1.23 C ATOM 256 CG ARG A 477 5.951 3.569 -5.579 1.00 1.57 C ATOM 257 CD ARG A 477 7.163 4.114 -6.319 1.00 1.89 C ATOM 258 NE ARG A 477 7.137 5.565 -6.472 1.00 1.95 N ATOM 259 CZ ARG A 477 7.495 6.187 -7.599 1.00 2.54 C ATOM 260 NH1 ARG A 477 7.833 5.474 -8.668 1.00 2.96 N ATOM 261 NH2 ARG A 477 7.507 7.514 -7.665 1.00 2.98 N ATOM 0 H ARG A 477 7.067 6.124 -3.464 1.00 0.89 H new ATOM 0 HA ARG A 477 4.674 5.607 -4.823 1.00 0.96 H new ATOM 0 HB2 ARG A 477 6.938 4.118 -3.763 1.00 1.23 H new ATOM 0 HB3 ARG A 477 5.441 3.238 -3.529 1.00 1.23 H new ATOM 0 HG2 ARG A 477 5.961 2.480 -5.621 1.00 1.57 H new ATOM 0 HG3 ARG A 477 5.042 3.899 -6.082 1.00 1.57 H new ATOM 0 HD2 ARG A 477 8.068 3.828 -5.782 1.00 1.89 H new ATOM 0 HD3 ARG A 477 7.217 3.652 -7.305 1.00 1.89 H new ATOM 0 HE ARG A 477 6.831 6.131 -5.681 1.00 1.95 H new ATOM 0 HH11 ARG A 477 7.819 4.455 -8.627 1.00 2.96 H new ATOM 0 HH12 ARG A 477 8.107 5.946 -9.530 1.00 2.96 H new ATOM 0 HH21 ARG A 477 7.241 8.068 -6.851 1.00 2.98 H new ATOM 0 HH22 ARG A 477 7.782 7.979 -8.530 1.00 2.98 H new ATOM 275 N LYS A 478 4.641 5.167 -1.536 1.00 0.77 N ATOM 276 CA LYS A 478 3.764 5.008 -0.383 1.00 0.90 C ATOM 277 C LYS A 478 2.808 6.196 -0.271 1.00 0.74 C ATOM 278 O LYS A 478 1.627 6.026 0.025 1.00 0.80 O ATOM 279 CB LYS A 478 4.598 4.834 0.899 1.00 1.21 C ATOM 280 CG LYS A 478 4.814 6.104 1.708 1.00 1.27 C ATOM 281 CD LYS A 478 5.825 5.888 2.821 1.00 1.66 C ATOM 282 CE LYS A 478 5.886 7.075 3.764 1.00 1.97 C ATOM 283 NZ LYS A 478 6.882 6.870 4.849 1.00 2.30 N ATOM 0 H LYS A 478 5.627 5.286 -1.304 1.00 0.77 H new ATOM 0 HA LYS A 478 3.162 4.110 -0.517 1.00 0.90 H new ATOM 0 HB2 LYS A 478 4.108 4.096 1.535 1.00 1.21 H new ATOM 0 HB3 LYS A 478 5.571 4.425 0.628 1.00 1.21 H new ATOM 0 HG2 LYS A 478 5.160 6.902 1.050 1.00 1.27 H new ATOM 0 HG3 LYS A 478 3.866 6.431 2.134 1.00 1.27 H new ATOM 0 HD2 LYS A 478 5.562 4.991 3.382 1.00 1.66 H new ATOM 0 HD3 LYS A 478 6.811 5.716 2.389 1.00 1.66 H new ATOM 0 HE2 LYS A 478 6.142 7.973 3.201 1.00 1.97 H new ATOM 0 HE3 LYS A 478 4.902 7.242 4.201 1.00 1.97 H new ATOM 0 HZ1 LYS A 478 6.857 7.680 5.501 1.00 2.30 H new ATOM 0 HZ2 LYS A 478 6.653 6.000 5.370 1.00 2.30 H new ATOM 0 HZ3 LYS A 478 7.833 6.787 4.436 1.00 2.30 H new ATOM 297 N ARG A 479 3.327 7.392 -0.534 1.00 0.71 N ATOM 298 CA ARG A 479 2.520 8.607 -0.535 1.00 0.86 C ATOM 299 C ARG A 479 1.437 8.510 -1.601 1.00 0.80 C ATOM 300 O ARG A 479 0.250 8.667 -1.318 1.00 0.90 O ATOM 301 CB ARG A 479 3.404 9.827 -0.804 1.00 1.09 C ATOM 302 CG ARG A 479 4.388 10.145 0.310 1.00 1.22 C ATOM 303 CD ARG A 479 5.438 11.150 -0.144 1.00 1.88 C ATOM 304 NE ARG A 479 6.432 11.411 0.900 1.00 2.47 N ATOM 305 CZ ARG A 479 7.564 12.094 0.707 1.00 3.27 C ATOM 306 NH1 ARG A 479 7.903 12.504 -0.511 1.00 3.65 N ATOM 307 NH2 ARG A 479 8.375 12.333 1.733 1.00 4.14 N ATOM 0 H ARG A 479 4.312 7.545 -0.751 1.00 0.71 H new ATOM 0 HA ARG A 479 2.051 8.718 0.443 1.00 0.86 H new ATOM 0 HB2 ARG A 479 3.959 9.662 -1.727 1.00 1.09 H new ATOM 0 HB3 ARG A 479 2.765 10.695 -0.967 1.00 1.09 H new ATOM 0 HG2 ARG A 479 3.850 10.543 1.170 1.00 1.22 H new ATOM 0 HG3 ARG A 479 4.878 9.228 0.637 1.00 1.22 H new ATOM 0 HD2 ARG A 479 5.939 10.774 -1.036 1.00 1.88 H new ATOM 0 HD3 ARG A 479 4.950 12.084 -0.422 1.00 1.88 H new ATOM 0 HE ARG A 479 6.248 11.048 1.835 1.00 2.47 H new ATOM 0 HH11 ARG A 479 7.298 12.298 -1.305 1.00 3.65 H new ATOM 0 HH12 ARG A 479 8.769 13.025 -0.651 1.00 3.65 H new ATOM 0 HH21 ARG A 479 8.132 11.995 2.664 1.00 4.14 H new ATOM 0 HH22 ARG A 479 9.240 12.854 1.589 1.00 4.14 H new ATOM 321 N TYR A 480 1.863 8.228 -2.825 1.00 0.83 N ATOM 322 CA TYR A 480 0.957 8.096 -3.956 1.00 1.03 C ATOM 323 C TYR A 480 -0.069 6.991 -3.692 1.00 0.82 C ATOM 324 O TYR A 480 -1.276 7.173 -3.890 1.00 0.82 O ATOM 325 CB TYR A 480 1.763 7.789 -5.221 1.00 1.44 C ATOM 326 CG TYR A 480 0.940 7.719 -6.489 1.00 1.81 C ATOM 327 CD1 TYR A 480 0.194 8.811 -6.918 1.00 2.09 C ATOM 328 CD2 TYR A 480 0.925 6.567 -7.265 1.00 2.00 C ATOM 329 CE1 TYR A 480 -0.543 8.755 -8.086 1.00 2.45 C ATOM 330 CE2 TYR A 480 0.190 6.504 -8.430 1.00 2.36 C ATOM 331 CZ TYR A 480 -0.542 7.597 -8.837 1.00 2.55 C ATOM 332 OH TYR A 480 -1.270 7.533 -10.005 1.00 2.93 O ATOM 0 H TYR A 480 2.845 8.085 -3.061 1.00 0.83 H new ATOM 0 HA TYR A 480 0.418 9.033 -4.095 1.00 1.03 H new ATOM 0 HB2 TYR A 480 2.530 8.554 -5.342 1.00 1.44 H new ATOM 0 HB3 TYR A 480 2.280 6.839 -5.086 1.00 1.44 H new ATOM 0 HD1 TYR A 480 0.190 9.717 -6.330 1.00 2.09 H new ATOM 0 HD2 TYR A 480 1.498 5.707 -6.951 1.00 2.00 H new ATOM 0 HE1 TYR A 480 -1.116 9.612 -8.409 1.00 2.45 H new ATOM 0 HE2 TYR A 480 0.188 5.600 -9.021 1.00 2.36 H new ATOM 0 HH TYR A 480 -1.159 6.648 -10.411 1.00 2.93 H new ATOM 342 N LEU A 481 0.431 5.857 -3.212 1.00 0.91 N ATOM 343 CA LEU A 481 -0.390 4.680 -2.975 1.00 1.15 C ATOM 344 C LEU A 481 -1.498 4.981 -1.978 1.00 1.03 C ATOM 345 O LEU A 481 -2.650 4.727 -2.266 1.00 1.19 O ATOM 346 CB LEU A 481 0.474 3.508 -2.484 1.00 1.66 C ATOM 347 CG LEU A 481 -0.097 2.104 -2.725 1.00 2.09 C ATOM 348 CD1 LEU A 481 0.992 1.056 -2.554 1.00 2.68 C ATOM 349 CD2 LEU A 481 -1.252 1.807 -1.778 1.00 2.73 C ATOM 0 H LEU A 481 1.416 5.730 -2.977 1.00 0.91 H new ATOM 0 HA LEU A 481 -0.853 4.396 -3.920 1.00 1.15 H new ATOM 0 HB2 LEU A 481 1.447 3.571 -2.971 1.00 1.66 H new ATOM 0 HB3 LEU A 481 0.644 3.631 -1.414 1.00 1.66 H new ATOM 0 HG LEU A 481 -0.475 2.069 -3.747 1.00 2.09 H new ATOM 0 HD11 LEU A 481 0.573 0.065 -2.728 1.00 2.68 H new ATOM 0 HD12 LEU A 481 1.792 1.243 -3.270 1.00 2.68 H new ATOM 0 HD13 LEU A 481 1.392 1.109 -1.541 1.00 2.68 H new ATOM 0 HD21 LEU A 481 -1.635 0.805 -1.974 1.00 2.73 H new ATOM 0 HD22 LEU A 481 -0.902 1.867 -0.747 1.00 2.73 H new ATOM 0 HD23 LEU A 481 -2.047 2.536 -1.934 1.00 2.73 H new ATOM 361 N MET A 482 -1.162 5.538 -0.819 1.00 1.05 N ATOM 362 CA MET A 482 -2.179 5.812 0.198 1.00 1.49 C ATOM 363 C MET A 482 -3.157 6.884 -0.276 1.00 1.39 C ATOM 364 O MET A 482 -4.318 6.894 0.133 1.00 1.65 O ATOM 365 CB MET A 482 -1.541 6.221 1.534 1.00 2.05 C ATOM 366 CG MET A 482 -0.813 7.557 1.501 1.00 3.10 C ATOM 367 SD MET A 482 -0.127 8.014 3.107 1.00 4.00 S ATOM 368 CE MET A 482 0.592 9.611 2.722 1.00 4.93 C ATOM 0 H MET A 482 -0.212 5.806 -0.560 1.00 1.05 H new ATOM 0 HA MET A 482 -2.734 4.888 0.358 1.00 1.49 H new ATOM 0 HB2 MET A 482 -2.319 6.264 2.296 1.00 2.05 H new ATOM 0 HB3 MET A 482 -0.838 5.446 1.839 1.00 2.05 H new ATOM 0 HG2 MET A 482 -0.009 7.510 0.767 1.00 3.10 H new ATOM 0 HG3 MET A 482 -1.502 8.334 1.170 1.00 3.10 H new ATOM 0 HE1 MET A 482 1.664 9.583 2.915 1.00 4.93 H new ATOM 0 HE2 MET A 482 0.419 9.844 1.671 1.00 4.93 H new ATOM 0 HE3 MET A 482 0.131 10.377 3.345 1.00 4.93 H new ATOM 378 N THR A 483 -2.697 7.766 -1.158 1.00 1.25 N ATOM 379 CA THR A 483 -3.555 8.803 -1.711 1.00 1.59 C ATOM 380 C THR A 483 -4.631 8.192 -2.607 1.00 1.32 C ATOM 381 O THR A 483 -5.787 8.618 -2.597 1.00 1.59 O ATOM 382 CB THR A 483 -2.734 9.844 -2.497 1.00 1.93 C ATOM 383 OG1 THR A 483 -1.717 10.394 -1.647 1.00 2.27 O ATOM 384 CG2 THR A 483 -3.619 10.967 -3.015 1.00 2.46 C ATOM 0 H THR A 483 -1.737 7.782 -1.503 1.00 1.25 H new ATOM 0 HA THR A 483 -4.041 9.311 -0.878 1.00 1.59 H new ATOM 0 HB THR A 483 -2.279 9.343 -3.351 1.00 1.93 H new ATOM 0 HG1 THR A 483 -1.052 9.703 -1.443 1.00 2.27 H new ATOM 0 HG21 THR A 483 -3.011 11.685 -3.565 1.00 2.46 H new ATOM 0 HG22 THR A 483 -4.381 10.554 -3.677 1.00 2.46 H new ATOM 0 HG23 THR A 483 -4.101 11.468 -2.175 1.00 2.46 H new ATOM 392 N LEU A 484 -4.250 7.182 -3.373 1.00 0.92 N ATOM 393 CA LEU A 484 -5.212 6.475 -4.217 1.00 0.90 C ATOM 394 C LEU A 484 -5.946 5.402 -3.419 1.00 0.84 C ATOM 395 O LEU A 484 -7.121 5.123 -3.657 1.00 0.91 O ATOM 396 CB LEU A 484 -4.522 5.867 -5.449 1.00 1.15 C ATOM 397 CG LEU A 484 -3.404 4.849 -5.192 1.00 1.69 C ATOM 398 CD1 LEU A 484 -3.961 3.435 -5.085 1.00 2.28 C ATOM 399 CD2 LEU A 484 -2.362 4.923 -6.296 1.00 2.20 C ATOM 0 H LEU A 484 -3.293 6.833 -3.431 1.00 0.92 H new ATOM 0 HA LEU A 484 -5.948 7.198 -4.569 1.00 0.90 H new ATOM 0 HB2 LEU A 484 -5.285 5.385 -6.060 1.00 1.15 H new ATOM 0 HB3 LEU A 484 -4.107 6.683 -6.041 1.00 1.15 H new ATOM 0 HG LEU A 484 -2.932 5.098 -4.242 1.00 1.69 H new ATOM 0 HD11 LEU A 484 -3.145 2.735 -4.903 1.00 2.28 H new ATOM 0 HD12 LEU A 484 -4.672 3.386 -4.261 1.00 2.28 H new ATOM 0 HD13 LEU A 484 -4.464 3.171 -6.015 1.00 2.28 H new ATOM 0 HD21 LEU A 484 -1.574 4.196 -6.102 1.00 2.20 H new ATOM 0 HD22 LEU A 484 -2.831 4.702 -7.255 1.00 2.20 H new ATOM 0 HD23 LEU A 484 -1.932 5.924 -6.324 1.00 2.20 H new ATOM 411 N LEU A 485 -5.239 4.812 -2.469 1.00 1.02 N ATOM 412 CA LEU A 485 -5.783 3.757 -1.626 1.00 1.47 C ATOM 413 C LEU A 485 -6.956 4.259 -0.803 1.00 1.75 C ATOM 414 O LEU A 485 -7.941 3.548 -0.628 1.00 1.92 O ATOM 415 CB LEU A 485 -4.696 3.217 -0.706 1.00 1.90 C ATOM 416 CG LEU A 485 -5.076 1.989 0.118 1.00 2.48 C ATOM 417 CD1 LEU A 485 -5.257 0.781 -0.786 1.00 3.19 C ATOM 418 CD2 LEU A 485 -4.019 1.716 1.178 1.00 3.10 C ATOM 0 H LEU A 485 -4.270 5.051 -2.259 1.00 1.02 H new ATOM 0 HA LEU A 485 -6.142 2.957 -2.273 1.00 1.47 H new ATOM 0 HB2 LEU A 485 -3.823 2.970 -1.311 1.00 1.90 H new ATOM 0 HB3 LEU A 485 -4.396 4.012 -0.023 1.00 1.90 H new ATOM 0 HG LEU A 485 -6.023 2.184 0.621 1.00 2.48 H new ATOM 0 HD11 LEU A 485 -5.528 -0.087 -0.184 1.00 3.19 H new ATOM 0 HD12 LEU A 485 -6.048 0.982 -1.508 1.00 3.19 H new ATOM 0 HD13 LEU A 485 -4.325 0.579 -1.315 1.00 3.19 H new ATOM 0 HD21 LEU A 485 -4.303 0.838 1.758 1.00 3.10 H new ATOM 0 HD22 LEU A 485 -3.058 1.537 0.696 1.00 3.10 H new ATOM 0 HD23 LEU A 485 -3.937 2.577 1.841 1.00 3.10 H new ATOM 430 N ASP A 486 -6.849 5.483 -0.302 1.00 1.95 N ATOM 431 CA ASP A 486 -7.949 6.112 0.432 1.00 2.47 C ATOM 432 C ASP A 486 -9.243 6.080 -0.388 1.00 2.33 C ATOM 433 O ASP A 486 -10.342 6.011 0.163 1.00 2.75 O ATOM 434 CB ASP A 486 -7.595 7.559 0.783 1.00 2.90 C ATOM 435 CG ASP A 486 -8.615 8.193 1.708 1.00 3.47 C ATOM 436 OD1 ASP A 486 -8.596 7.904 2.923 1.00 3.72 O ATOM 437 OD2 ASP A 486 -9.448 8.985 1.217 1.00 3.86 O ATOM 0 H ASP A 486 -6.014 6.063 -0.388 1.00 1.95 H new ATOM 0 HA ASP A 486 -8.106 5.548 1.351 1.00 2.47 H new ATOM 0 HB2 ASP A 486 -6.613 7.586 1.256 1.00 2.90 H new ATOM 0 HB3 ASP A 486 -7.524 8.146 -0.133 1.00 2.90 H new ATOM 442 N ASP A 487 -9.088 6.110 -1.707 1.00 1.85 N ATOM 443 CA ASP A 487 -10.218 6.064 -2.629 1.00 1.83 C ATOM 444 C ASP A 487 -10.573 4.619 -2.987 1.00 1.35 C ATOM 445 O ASP A 487 -11.708 4.323 -3.368 1.00 1.40 O ATOM 446 CB ASP A 487 -9.877 6.860 -3.893 1.00 2.05 C ATOM 447 CG ASP A 487 -10.979 6.821 -4.930 1.00 2.41 C ATOM 448 OD1 ASP A 487 -11.951 7.600 -4.801 1.00 2.77 O ATOM 449 OD2 ASP A 487 -10.880 6.009 -5.873 1.00 2.59 O ATOM 0 H ASP A 487 -8.179 6.167 -2.166 1.00 1.85 H new ATOM 0 HA ASP A 487 -11.086 6.510 -2.144 1.00 1.83 H new ATOM 0 HB2 ASP A 487 -9.678 7.897 -3.621 1.00 2.05 H new ATOM 0 HB3 ASP A 487 -8.960 6.464 -4.329 1.00 2.05 H new ATOM 454 N ILE A 488 -9.593 3.723 -2.847 1.00 1.14 N ATOM 455 CA ILE A 488 -9.757 2.307 -3.157 1.00 1.13 C ATOM 456 C ILE A 488 -10.995 1.698 -2.493 1.00 1.43 C ATOM 457 O ILE A 488 -11.342 2.076 -1.372 1.00 2.27 O ATOM 458 CB ILE A 488 -8.493 1.552 -2.723 1.00 1.34 C ATOM 459 CG1 ILE A 488 -7.357 1.895 -3.683 1.00 1.21 C ATOM 460 CG2 ILE A 488 -8.715 0.050 -2.636 1.00 1.77 C ATOM 461 CD1 ILE A 488 -7.419 1.168 -5.010 1.00 1.67 C ATOM 0 H ILE A 488 -8.660 3.964 -2.513 1.00 1.14 H new ATOM 0 HA ILE A 488 -9.905 2.213 -4.233 1.00 1.13 H new ATOM 0 HB ILE A 488 -8.227 1.872 -1.715 1.00 1.34 H new ATOM 0 HG12 ILE A 488 -7.367 2.969 -3.870 1.00 1.21 H new ATOM 0 HG13 ILE A 488 -6.407 1.664 -3.200 1.00 1.21 H new ATOM 0 HG21 ILE A 488 -7.791 -0.437 -2.325 1.00 1.77 H new ATOM 0 HG22 ILE A 488 -9.499 -0.160 -1.908 1.00 1.77 H new ATOM 0 HG23 ILE A 488 -9.015 -0.331 -3.612 1.00 1.77 H new ATOM 0 HD11 ILE A 488 -6.575 1.470 -5.630 1.00 1.67 H new ATOM 0 HD12 ILE A 488 -7.376 0.093 -4.838 1.00 1.67 H new ATOM 0 HD13 ILE A 488 -8.351 1.417 -5.518 1.00 1.67 H new ATOM 473 N LYS A 489 -11.659 0.775 -3.190 1.00 1.42 N ATOM 474 CA LYS A 489 -12.920 0.206 -2.716 1.00 1.75 C ATOM 475 C LYS A 489 -12.769 -0.403 -1.322 1.00 1.29 C ATOM 476 O LYS A 489 -13.428 0.043 -0.380 1.00 1.88 O ATOM 477 CB LYS A 489 -13.460 -0.835 -3.714 1.00 2.46 C ATOM 478 CG LYS A 489 -14.939 -1.179 -3.517 1.00 3.04 C ATOM 479 CD LYS A 489 -15.162 -2.103 -2.326 1.00 3.88 C ATOM 480 CE LYS A 489 -16.620 -2.137 -1.888 1.00 4.70 C ATOM 481 NZ LYS A 489 -17.519 -2.687 -2.935 1.00 5.28 N ATOM 0 H LYS A 489 -11.343 0.405 -4.087 1.00 1.42 H new ATOM 0 HA LYS A 489 -13.643 1.018 -2.644 1.00 1.75 H new ATOM 0 HB2 LYS A 489 -13.317 -0.460 -4.727 1.00 2.46 H new ATOM 0 HB3 LYS A 489 -12.871 -1.748 -3.626 1.00 2.46 H new ATOM 0 HG2 LYS A 489 -15.508 -0.260 -3.373 1.00 3.04 H new ATOM 0 HG3 LYS A 489 -15.323 -1.654 -4.420 1.00 3.04 H new ATOM 0 HD2 LYS A 489 -14.839 -3.111 -2.585 1.00 3.88 H new ATOM 0 HD3 LYS A 489 -14.542 -1.774 -1.492 1.00 3.88 H new ATOM 0 HE2 LYS A 489 -16.710 -2.740 -0.984 1.00 4.70 H new ATOM 0 HE3 LYS A 489 -16.942 -1.128 -1.632 1.00 4.70 H new ATOM 0 HZ1 LYS A 489 -18.499 -2.688 -2.586 1.00 5.28 H new ATOM 0 HZ2 LYS A 489 -17.457 -2.099 -3.790 1.00 5.28 H new ATOM 0 HZ3 LYS A 489 -17.232 -3.660 -3.163 1.00 5.28 H new ATOM 495 N GLY A 490 -11.916 -1.417 -1.177 1.00 0.91 N ATOM 496 CA GLY A 490 -11.762 -2.028 0.129 1.00 0.96 C ATOM 497 C GLY A 490 -10.818 -3.219 0.171 1.00 0.67 C ATOM 498 O GLY A 490 -9.721 -3.185 -0.392 1.00 0.69 O ATOM 0 H GLY A 490 -11.344 -1.816 -1.921 1.00 0.91 H new ATOM 0 HA2 GLY A 490 -11.402 -1.273 0.827 1.00 0.96 H new ATOM 0 HA3 GLY A 490 -12.742 -2.347 0.483 1.00 0.96 H new ATOM 502 N ALA A 491 -11.286 -4.279 0.832 1.00 0.70 N ATOM 503 CA ALA A 491 -10.448 -5.409 1.241 1.00 0.84 C ATOM 504 C ALA A 491 -9.758 -6.115 0.082 1.00 0.71 C ATOM 505 O ALA A 491 -8.579 -6.449 0.182 1.00 0.69 O ATOM 506 CB ALA A 491 -11.278 -6.408 2.034 1.00 1.22 C ATOM 0 H ALA A 491 -12.265 -4.379 1.101 1.00 0.70 H new ATOM 0 HA ALA A 491 -9.655 -4.992 1.861 1.00 0.84 H new ATOM 0 HB1 ALA A 491 -10.649 -7.246 2.335 1.00 1.22 H new ATOM 0 HB2 ALA A 491 -11.683 -5.921 2.921 1.00 1.22 H new ATOM 0 HB3 ALA A 491 -12.097 -6.773 1.415 1.00 1.22 H new ATOM 512 N ASN A 492 -10.484 -6.352 -1.006 1.00 0.73 N ATOM 513 CA ASN A 492 -9.934 -7.111 -2.133 1.00 0.78 C ATOM 514 C ASN A 492 -8.664 -6.460 -2.665 1.00 0.65 C ATOM 515 O ASN A 492 -7.647 -7.131 -2.868 1.00 0.67 O ATOM 516 CB ASN A 492 -10.958 -7.248 -3.264 1.00 1.00 C ATOM 517 CG ASN A 492 -12.192 -8.029 -2.857 1.00 1.61 C ATOM 518 OD1 ASN A 492 -12.217 -9.259 -2.936 1.00 2.38 O ATOM 519 ND2 ASN A 492 -13.235 -7.323 -2.444 1.00 2.19 N ATOM 0 H ASN A 492 -11.445 -6.035 -1.135 1.00 0.73 H new ATOM 0 HA ASN A 492 -9.690 -8.106 -1.762 1.00 0.78 H new ATOM 0 HB2 ASN A 492 -11.258 -6.254 -3.597 1.00 1.00 H new ATOM 0 HB3 ASN A 492 -10.487 -7.741 -4.115 1.00 1.00 H new ATOM 0 HD21 ASN A 492 -14.098 -7.797 -2.178 1.00 2.19 H new ATOM 0 HD22 ASN A 492 -13.174 -6.306 -2.393 1.00 2.19 H new ATOM 526 N ASP A 493 -8.719 -5.150 -2.867 1.00 0.63 N ATOM 527 CA ASP A 493 -7.574 -4.409 -3.372 1.00 0.69 C ATOM 528 C ASP A 493 -6.445 -4.416 -2.347 1.00 0.62 C ATOM 529 O ASP A 493 -5.276 -4.548 -2.704 1.00 0.66 O ATOM 530 CB ASP A 493 -7.950 -2.963 -3.692 1.00 0.86 C ATOM 531 CG ASP A 493 -9.155 -2.835 -4.604 1.00 1.33 C ATOM 532 OD1 ASP A 493 -8.989 -2.969 -5.838 1.00 1.46 O ATOM 533 OD2 ASP A 493 -10.276 -2.638 -4.096 1.00 1.97 O ATOM 0 H ASP A 493 -9.546 -4.580 -2.688 1.00 0.63 H new ATOM 0 HA ASP A 493 -7.243 -4.898 -4.288 1.00 0.69 H new ATOM 0 HB2 ASP A 493 -8.153 -2.435 -2.760 1.00 0.86 H new ATOM 0 HB3 ASP A 493 -7.098 -2.470 -4.159 1.00 0.86 H new ATOM 538 N LEU A 494 -6.809 -4.273 -1.074 1.00 0.61 N ATOM 539 CA LEU A 494 -5.834 -4.274 0.015 1.00 0.69 C ATOM 540 C LEU A 494 -4.999 -5.550 -0.004 1.00 0.57 C ATOM 541 O LEU A 494 -3.769 -5.501 -0.070 1.00 0.56 O ATOM 542 CB LEU A 494 -6.543 -4.143 1.368 1.00 0.91 C ATOM 543 CG LEU A 494 -7.304 -2.836 1.590 1.00 1.15 C ATOM 544 CD1 LEU A 494 -8.040 -2.870 2.918 1.00 1.74 C ATOM 545 CD2 LEU A 494 -6.350 -1.654 1.544 1.00 1.77 C ATOM 0 H LEU A 494 -7.776 -4.155 -0.771 1.00 0.61 H new ATOM 0 HA LEU A 494 -5.172 -3.420 -0.127 1.00 0.69 H new ATOM 0 HB2 LEU A 494 -7.242 -4.972 1.473 1.00 0.91 H new ATOM 0 HB3 LEU A 494 -5.801 -4.249 2.159 1.00 0.91 H new ATOM 0 HG LEU A 494 -8.037 -2.722 0.791 1.00 1.15 H new ATOM 0 HD11 LEU A 494 -8.577 -1.932 3.061 1.00 1.74 H new ATOM 0 HD12 LEU A 494 -8.749 -3.698 2.920 1.00 1.74 H new ATOM 0 HD13 LEU A 494 -7.323 -3.005 3.728 1.00 1.74 H new ATOM 0 HD21 LEU A 494 -6.907 -0.731 1.704 1.00 1.77 H new ATOM 0 HD22 LEU A 494 -5.597 -1.763 2.325 1.00 1.77 H new ATOM 0 HD23 LEU A 494 -5.861 -1.619 0.571 1.00 1.77 H new ATOM 557 N ALA A 495 -5.680 -6.689 0.032 1.00 0.56 N ATOM 558 CA ALA A 495 -5.012 -7.983 0.029 1.00 0.59 C ATOM 559 C ALA A 495 -4.178 -8.148 -1.236 1.00 0.55 C ATOM 560 O ALA A 495 -3.100 -8.746 -1.212 1.00 0.58 O ATOM 561 CB ALA A 495 -6.036 -9.103 0.144 1.00 0.68 C ATOM 0 H ALA A 495 -6.698 -6.742 0.064 1.00 0.56 H new ATOM 0 HA ALA A 495 -4.344 -8.034 0.889 1.00 0.59 H new ATOM 0 HB1 ALA A 495 -5.524 -10.065 0.141 1.00 0.68 H new ATOM 0 HB2 ALA A 495 -6.594 -8.992 1.074 1.00 0.68 H new ATOM 0 HB3 ALA A 495 -6.724 -9.055 -0.700 1.00 0.68 H new ATOM 567 N LYS A 496 -4.681 -7.593 -2.332 1.00 0.59 N ATOM 568 CA LYS A 496 -3.991 -7.633 -3.612 1.00 0.68 C ATOM 569 C LYS A 496 -2.671 -6.858 -3.529 1.00 0.63 C ATOM 570 O LYS A 496 -1.610 -7.389 -3.855 1.00 0.65 O ATOM 571 CB LYS A 496 -4.915 -7.059 -4.694 1.00 0.85 C ATOM 572 CG LYS A 496 -4.473 -7.301 -6.128 1.00 1.29 C ATOM 573 CD LYS A 496 -3.430 -6.297 -6.584 1.00 1.77 C ATOM 574 CE LYS A 496 -3.328 -6.271 -8.097 1.00 2.53 C ATOM 575 NZ LYS A 496 -4.610 -5.850 -8.725 1.00 2.98 N ATOM 0 H LYS A 496 -5.576 -7.104 -2.357 1.00 0.59 H new ATOM 0 HA LYS A 496 -3.746 -8.663 -3.872 1.00 0.68 H new ATOM 0 HB2 LYS A 496 -5.909 -7.486 -4.562 1.00 0.85 H new ATOM 0 HB3 LYS A 496 -5.006 -5.984 -4.537 1.00 0.85 H new ATOM 0 HG2 LYS A 496 -4.067 -8.309 -6.216 1.00 1.29 H new ATOM 0 HG3 LYS A 496 -5.339 -7.247 -6.787 1.00 1.29 H new ATOM 0 HD2 LYS A 496 -3.690 -5.304 -6.216 1.00 1.77 H new ATOM 0 HD3 LYS A 496 -2.461 -6.553 -6.155 1.00 1.77 H new ATOM 0 HE2 LYS A 496 -2.533 -5.588 -8.397 1.00 2.53 H new ATOM 0 HE3 LYS A 496 -3.052 -7.261 -8.461 1.00 2.53 H new ATOM 0 HZ1 LYS A 496 -4.415 -5.393 -9.639 1.00 2.98 H new ATOM 0 HZ2 LYS A 496 -5.213 -6.684 -8.876 1.00 2.98 H new ATOM 0 HZ3 LYS A 496 -5.099 -5.178 -8.099 1.00 2.98 H new ATOM 589 N PHE A 497 -2.737 -5.612 -3.063 1.00 0.64 N ATOM 590 CA PHE A 497 -1.541 -4.779 -2.923 1.00 0.70 C ATOM 591 C PHE A 497 -0.617 -5.323 -1.837 1.00 0.62 C ATOM 592 O PHE A 497 0.583 -5.050 -1.832 1.00 0.67 O ATOM 593 CB PHE A 497 -1.909 -3.329 -2.595 1.00 0.84 C ATOM 594 CG PHE A 497 -2.661 -2.620 -3.688 1.00 0.98 C ATOM 595 CD1 PHE A 497 -2.200 -2.659 -4.992 1.00 1.34 C ATOM 596 CD2 PHE A 497 -3.828 -1.924 -3.413 1.00 1.27 C ATOM 597 CE1 PHE A 497 -2.886 -2.015 -6.003 1.00 1.67 C ATOM 598 CE2 PHE A 497 -4.519 -1.280 -4.422 1.00 1.72 C ATOM 599 CZ PHE A 497 -4.055 -1.297 -5.694 1.00 1.82 C ATOM 0 H PHE A 497 -3.603 -5.157 -2.776 1.00 0.64 H new ATOM 0 HA PHE A 497 -1.020 -4.804 -3.880 1.00 0.70 H new ATOM 0 HB2 PHE A 497 -2.512 -3.316 -1.687 1.00 0.84 H new ATOM 0 HB3 PHE A 497 -0.996 -2.774 -2.379 1.00 0.84 H new ATOM 0 HD1 PHE A 497 -1.293 -3.199 -5.222 1.00 1.34 H new ATOM 0 HD2 PHE A 497 -4.201 -1.885 -2.400 1.00 1.27 H new ATOM 0 HE1 PHE A 497 -2.528 -2.062 -7.021 1.00 1.67 H new ATOM 0 HE2 PHE A 497 -5.437 -0.759 -4.194 1.00 1.72 H new ATOM 0 HZ PHE A 497 -4.581 -0.760 -6.469 1.00 1.82 H new ATOM 609 N HIS A 498 -1.182 -6.106 -0.932 1.00 0.57 N ATOM 610 CA HIS A 498 -0.421 -6.673 0.170 1.00 0.62 C ATOM 611 C HIS A 498 0.454 -7.784 -0.357 1.00 0.54 C ATOM 612 O HIS A 498 1.662 -7.791 -0.132 1.00 0.56 O ATOM 613 CB HIS A 498 -1.345 -7.209 1.270 1.00 0.75 C ATOM 614 CG HIS A 498 -0.610 -7.706 2.481 1.00 1.03 C ATOM 615 ND1 HIS A 498 -0.835 -8.939 3.055 1.00 1.62 N ATOM 616 CD2 HIS A 498 0.348 -7.117 3.234 1.00 1.49 C ATOM 617 CE1 HIS A 498 -0.052 -9.082 4.108 1.00 1.85 C ATOM 618 NE2 HIS A 498 0.676 -7.992 4.236 1.00 1.69 N ATOM 0 H HIS A 498 -2.169 -6.364 -0.939 1.00 0.57 H new ATOM 0 HA HIS A 498 0.195 -5.888 0.609 1.00 0.62 H new ATOM 0 HB2 HIS A 498 -2.034 -6.420 1.571 1.00 0.75 H new ATOM 0 HB3 HIS A 498 -1.949 -8.020 0.863 1.00 0.75 H new ATOM 0 HD2 HIS A 498 0.775 -6.138 3.074 1.00 1.49 H new ATOM 0 HE1 HIS A 498 -0.015 -9.946 4.755 1.00 1.85 H new ATOM 0 HE2 HIS A 498 1.372 -7.826 4.963 1.00 1.69 H new ATOM 627 N GLN A 499 -0.167 -8.714 -1.077 1.00 0.54 N ATOM 628 CA GLN A 499 0.569 -9.765 -1.753 1.00 0.60 C ATOM 629 C GLN A 499 1.645 -9.146 -2.632 1.00 0.53 C ATOM 630 O GLN A 499 2.746 -9.681 -2.753 1.00 0.54 O ATOM 631 CB GLN A 499 -0.370 -10.625 -2.606 1.00 0.77 C ATOM 632 CG GLN A 499 -1.307 -11.516 -1.801 1.00 1.43 C ATOM 633 CD GLN A 499 -0.561 -12.575 -1.008 1.00 2.00 C ATOM 634 OE1 GLN A 499 -0.282 -13.663 -1.516 1.00 2.63 O ATOM 635 NE2 GLN A 499 -0.252 -12.278 0.244 1.00 2.58 N ATOM 0 H GLN A 499 -1.178 -8.757 -1.204 1.00 0.54 H new ATOM 0 HA GLN A 499 1.032 -10.406 -1.003 1.00 0.60 H new ATOM 0 HB2 GLN A 499 -0.967 -9.970 -3.241 1.00 0.77 H new ATOM 0 HB3 GLN A 499 0.229 -11.251 -3.267 1.00 0.77 H new ATOM 0 HG2 GLN A 499 -1.892 -10.900 -1.118 1.00 1.43 H new ATOM 0 HG3 GLN A 499 -2.012 -12.001 -2.476 1.00 1.43 H new ATOM 0 HE21 GLN A 499 -0.500 -11.366 0.628 1.00 2.58 H new ATOM 0 HE22 GLN A 499 0.234 -12.961 0.825 1.00 2.58 H new ATOM 644 N MET A 500 1.318 -7.993 -3.210 1.00 0.54 N ATOM 645 CA MET A 500 2.231 -7.301 -4.099 1.00 0.63 C ATOM 646 C MET A 500 3.489 -6.818 -3.379 1.00 0.57 C ATOM 647 O MET A 500 4.584 -7.271 -3.684 1.00 0.58 O ATOM 648 CB MET A 500 1.539 -6.141 -4.817 1.00 0.80 C ATOM 649 CG MET A 500 0.604 -6.602 -5.922 1.00 1.26 C ATOM 650 SD MET A 500 1.437 -7.655 -7.130 1.00 1.91 S ATOM 651 CE MET A 500 0.054 -8.175 -8.141 1.00 2.52 C ATOM 0 H MET A 500 0.424 -7.522 -3.075 1.00 0.54 H new ATOM 0 HA MET A 500 2.546 -8.028 -4.848 1.00 0.63 H new ATOM 0 HB2 MET A 500 0.974 -5.556 -4.091 1.00 0.80 H new ATOM 0 HB3 MET A 500 2.295 -5.480 -5.240 1.00 0.80 H new ATOM 0 HG2 MET A 500 -0.232 -7.147 -5.484 1.00 1.26 H new ATOM 0 HG3 MET A 500 0.187 -5.732 -6.428 1.00 1.26 H new ATOM 0 HE1 MET A 500 0.410 -8.833 -8.934 1.00 2.52 H new ATOM 0 HE2 MET A 500 -0.668 -8.709 -7.523 1.00 2.52 H new ATOM 0 HE3 MET A 500 -0.423 -7.300 -8.583 1.00 2.52 H new ATOM 661 N LEU A 501 3.352 -5.921 -2.413 1.00 0.59 N ATOM 662 CA LEU A 501 4.530 -5.372 -1.746 1.00 0.65 C ATOM 663 C LEU A 501 5.290 -6.452 -0.971 1.00 0.56 C ATOM 664 O LEU A 501 6.507 -6.356 -0.790 1.00 0.62 O ATOM 665 CB LEU A 501 4.161 -4.185 -0.847 1.00 0.85 C ATOM 666 CG LEU A 501 3.036 -4.421 0.173 1.00 1.30 C ATOM 667 CD1 LEU A 501 3.558 -5.110 1.426 1.00 2.09 C ATOM 668 CD2 LEU A 501 2.362 -3.107 0.530 1.00 1.91 C ATOM 0 H LEU A 501 2.458 -5.562 -2.077 1.00 0.59 H new ATOM 0 HA LEU A 501 5.200 -4.998 -2.520 1.00 0.65 H new ATOM 0 HB2 LEU A 501 5.055 -3.877 -0.304 1.00 0.85 H new ATOM 0 HB3 LEU A 501 3.873 -3.350 -1.486 1.00 0.85 H new ATOM 0 HG LEU A 501 2.300 -5.081 -0.287 1.00 1.30 H new ATOM 0 HD11 LEU A 501 2.737 -5.262 2.127 1.00 2.09 H new ATOM 0 HD12 LEU A 501 3.989 -6.074 1.158 1.00 2.09 H new ATOM 0 HD13 LEU A 501 4.322 -4.488 1.892 1.00 2.09 H new ATOM 0 HD21 LEU A 501 1.567 -3.290 1.253 1.00 1.91 H new ATOM 0 HD22 LEU A 501 3.096 -2.427 0.962 1.00 1.91 H new ATOM 0 HD23 LEU A 501 1.938 -2.660 -0.369 1.00 1.91 H new ATOM 680 N VAL A 502 4.581 -7.491 -0.541 1.00 0.53 N ATOM 681 CA VAL A 502 5.217 -8.606 0.142 1.00 0.64 C ATOM 682 C VAL A 502 6.076 -9.416 -0.832 1.00 0.61 C ATOM 683 O VAL A 502 7.179 -9.839 -0.489 1.00 0.73 O ATOM 684 CB VAL A 502 4.180 -9.516 0.847 1.00 0.86 C ATOM 685 CG1 VAL A 502 4.818 -10.807 1.338 1.00 1.11 C ATOM 686 CG2 VAL A 502 3.539 -8.770 2.014 1.00 1.02 C ATOM 0 H VAL A 502 3.571 -7.582 -0.654 1.00 0.53 H new ATOM 0 HA VAL A 502 5.864 -8.191 0.915 1.00 0.64 H new ATOM 0 HB VAL A 502 3.411 -9.778 0.120 1.00 0.86 H new ATOM 0 HG11 VAL A 502 4.063 -11.422 1.828 1.00 1.11 H new ATOM 0 HG12 VAL A 502 5.236 -11.351 0.491 1.00 1.11 H new ATOM 0 HG13 VAL A 502 5.612 -10.574 2.047 1.00 1.11 H new ATOM 0 HG21 VAL A 502 2.811 -9.417 2.504 1.00 1.02 H new ATOM 0 HG22 VAL A 502 4.309 -8.483 2.730 1.00 1.02 H new ATOM 0 HG23 VAL A 502 3.038 -7.876 1.643 1.00 1.02 H new ATOM 696 N LYS A 503 5.596 -9.607 -2.061 1.00 0.58 N ATOM 697 CA LYS A 503 6.390 -10.305 -3.068 1.00 0.71 C ATOM 698 C LYS A 503 7.482 -9.382 -3.615 1.00 0.69 C ATOM 699 O LYS A 503 8.473 -9.846 -4.182 1.00 0.84 O ATOM 700 CB LYS A 503 5.509 -10.844 -4.212 1.00 0.88 C ATOM 701 CG LYS A 503 4.849 -9.768 -5.060 1.00 1.35 C ATOM 702 CD LYS A 503 3.810 -10.337 -6.017 1.00 1.44 C ATOM 703 CE LYS A 503 4.404 -10.721 -7.366 1.00 2.04 C ATOM 704 NZ LYS A 503 5.415 -11.806 -7.261 1.00 2.54 N ATOM 0 H LYS A 503 4.678 -9.294 -2.378 1.00 0.58 H new ATOM 0 HA LYS A 503 6.861 -11.162 -2.588 1.00 0.71 H new ATOM 0 HB2 LYS A 503 6.120 -11.474 -4.858 1.00 0.88 H new ATOM 0 HB3 LYS A 503 4.733 -11.481 -3.787 1.00 0.88 H new ATOM 0 HG2 LYS A 503 4.375 -9.035 -4.407 1.00 1.35 H new ATOM 0 HG3 LYS A 503 5.613 -9.240 -5.630 1.00 1.35 H new ATOM 0 HD2 LYS A 503 3.347 -11.214 -5.565 1.00 1.44 H new ATOM 0 HD3 LYS A 503 3.020 -9.602 -6.168 1.00 1.44 H new ATOM 0 HE2 LYS A 503 3.603 -11.040 -8.033 1.00 2.04 H new ATOM 0 HE3 LYS A 503 4.865 -9.843 -7.818 1.00 2.04 H new ATOM 0 HZ1 LYS A 503 5.487 -12.302 -8.172 1.00 2.54 H new ATOM 0 HZ2 LYS A 503 6.339 -11.397 -7.015 1.00 2.54 H new ATOM 0 HZ3 LYS A 503 5.127 -12.479 -6.522 1.00 2.54 H new ATOM 718 N ILE A 504 7.294 -8.074 -3.439 1.00 0.62 N ATOM 719 CA ILE A 504 8.288 -7.092 -3.858 1.00 0.73 C ATOM 720 C ILE A 504 9.547 -7.172 -2.989 1.00 0.73 C ATOM 721 O ILE A 504 10.637 -7.439 -3.497 1.00 0.85 O ATOM 722 CB ILE A 504 7.725 -5.647 -3.834 1.00 0.87 C ATOM 723 CG1 ILE A 504 6.624 -5.483 -4.889 1.00 1.30 C ATOM 724 CG2 ILE A 504 8.830 -4.625 -4.064 1.00 1.34 C ATOM 725 CD1 ILE A 504 7.076 -5.795 -6.303 1.00 1.75 C ATOM 0 H ILE A 504 6.461 -7.672 -3.009 1.00 0.62 H new ATOM 0 HA ILE A 504 8.551 -7.336 -4.887 1.00 0.73 H new ATOM 0 HB ILE A 504 7.297 -5.470 -2.847 1.00 0.87 H new ATOM 0 HG12 ILE A 504 5.789 -6.135 -4.633 1.00 1.30 H new ATOM 0 HG13 ILE A 504 6.251 -4.459 -4.855 1.00 1.30 H new ATOM 0 HG21 ILE A 504 8.407 -3.621 -4.042 1.00 1.34 H new ATOM 0 HG22 ILE A 504 9.582 -4.719 -3.280 1.00 1.34 H new ATOM 0 HG23 ILE A 504 9.293 -4.802 -5.034 1.00 1.34 H new ATOM 0 HD11 ILE A 504 6.242 -5.656 -6.991 1.00 1.75 H new ATOM 0 HD12 ILE A 504 7.890 -5.126 -6.581 1.00 1.75 H new ATOM 0 HD13 ILE A 504 7.421 -6.828 -6.355 1.00 1.75 H new ATOM 737 N ILE A 505 9.402 -6.952 -1.682 1.00 0.71 N ATOM 738 CA ILE A 505 10.562 -6.952 -0.786 1.00 0.85 C ATOM 739 C ILE A 505 10.335 -7.780 0.473 1.00 0.97 C ATOM 740 O ILE A 505 11.292 -8.074 1.192 1.00 1.20 O ATOM 741 CB ILE A 505 10.956 -5.529 -0.340 1.00 1.10 C ATOM 742 CG1 ILE A 505 9.774 -4.843 0.351 1.00 1.49 C ATOM 743 CG2 ILE A 505 11.447 -4.711 -1.524 1.00 1.83 C ATOM 744 CD1 ILE A 505 10.150 -3.563 1.061 1.00 2.19 C ATOM 745 OXT ILE A 505 9.164 -8.132 0.747 1.00 1.58 O ATOM 0 H ILE A 505 8.508 -6.774 -1.224 1.00 0.71 H new ATOM 0 HA ILE A 505 11.364 -7.396 -1.376 1.00 0.85 H new ATOM 0 HB ILE A 505 11.774 -5.603 0.376 1.00 1.10 H new ATOM 0 HG12 ILE A 505 9.006 -4.625 -0.391 1.00 1.49 H new ATOM 0 HG13 ILE A 505 9.334 -5.533 1.071 1.00 1.49 H new ATOM 0 HG21 ILE A 505 11.720 -3.711 -1.187 1.00 1.83 H new ATOM 0 HG22 ILE A 505 12.318 -5.196 -1.965 1.00 1.83 H new ATOM 0 HG23 ILE A 505 10.656 -4.639 -2.270 1.00 1.83 H new ATOM 0 HD11 ILE A 505 9.264 -3.132 1.527 1.00 2.19 H new ATOM 0 HD12 ILE A 505 10.895 -3.777 1.827 1.00 2.19 H new ATOM 0 HD13 ILE A 505 10.562 -2.855 0.342 1.00 2.19 H new TER 757 ILE A 505