USER MOD reduce.3.24.130724 H: found=0, std=0, add=395, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 394 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 1 ASP N :NH3+ -120:sc= 0.101 (180deg=-0.0487) USER MOD Single : A 2 SER OG : rot 20:sc= 0.229 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot -5:sc= -8.46! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -93:sc= 0.128 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HE2:sc= -13.6! C(o=-14!,f=-17!) USER MOD Single : A 23 ASN : amide:sc=-0.00465 K(o=-0.0046,f=-0.81) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= 0.569 K(o=0.57,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -0.298 K(o=-0.3,f=-2.5!) USER MOD Single : A 38 GLN : amide:sc= -0.748 X(o=-0.75,f=-0.31) USER MOD Single : A 42 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.592) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -6.841 12.950 0.476 1.00 0.00 N ATOM 2 CA ASP A 1 -7.556 11.658 0.677 1.00 0.00 C ATOM 3 C ASP A 1 -6.543 10.513 0.701 1.00 0.00 C ATOM 4 O ASP A 1 -5.412 10.662 0.283 1.00 0.00 O ATOM 5 CB ASP A 1 -8.548 11.438 -0.469 1.00 0.00 C ATOM 6 CG ASP A 1 -7.784 11.223 -1.778 1.00 0.00 C ATOM 7 OD1 ASP A 1 -7.438 12.209 -2.408 1.00 0.00 O ATOM 8 OD2 ASP A 1 -7.559 10.076 -2.130 1.00 0.00 O ATOM 0 H1 ASP A 1 -7.023 13.577 1.285 1.00 0.00 H new ATOM 0 H2 ASP A 1 -5.819 12.773 0.399 1.00 0.00 H new ATOM 0 H3 ASP A 1 -7.181 13.403 -0.396 1.00 0.00 H new ATOM 0 HA ASP A 1 -8.096 11.686 1.624 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -9.177 10.573 -0.257 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -9.210 12.299 -0.560 1.00 0.00 H new ATOM 15 N SER A 2 -6.941 9.367 1.186 1.00 0.00 N ATOM 16 CA SER A 2 -6.004 8.211 1.235 1.00 0.00 C ATOM 17 C SER A 2 -6.501 7.114 0.291 1.00 0.00 C ATOM 18 O SER A 2 -7.662 6.756 0.295 1.00 0.00 O ATOM 19 CB SER A 2 -5.940 7.664 2.661 1.00 0.00 C ATOM 20 OG SER A 2 -7.229 7.206 3.049 1.00 0.00 O ATOM 0 H SER A 2 -7.876 9.183 1.550 1.00 0.00 H new ATOM 0 HA SER A 2 -5.010 8.536 0.927 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.220 6.848 2.717 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.596 8.440 3.345 1.00 0.00 H new ATOM 0 HG SER A 2 -7.776 7.053 2.250 1.00 0.00 H new ATOM 26 N ILE A 3 -5.630 6.580 -0.518 1.00 0.00 N ATOM 27 CA ILE A 3 -6.042 5.515 -1.459 1.00 0.00 C ATOM 28 C ILE A 3 -5.811 4.145 -0.817 1.00 0.00 C ATOM 29 O ILE A 3 -4.834 3.928 -0.135 1.00 0.00 O ATOM 30 CB ILE A 3 -5.209 5.621 -2.740 1.00 0.00 C ATOM 31 CG1 ILE A 3 -5.522 6.934 -3.457 1.00 0.00 C ATOM 32 CG2 ILE A 3 -5.532 4.450 -3.670 1.00 0.00 C ATOM 33 CD1 ILE A 3 -4.723 7.003 -4.762 1.00 0.00 C ATOM 0 H ILE A 3 -4.645 6.841 -0.564 1.00 0.00 H new ATOM 0 HA ILE A 3 -7.099 5.630 -1.697 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.152 5.594 -2.475 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.589 7.001 -3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.269 7.780 -2.818 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.936 4.532 -4.579 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.300 3.511 -3.167 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -6.591 4.471 -3.927 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.945 7.939 -5.275 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.657 6.955 -4.539 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.998 6.164 -5.402 1.00 0.00 H new ATOM 45 N THR A 4 -6.695 3.215 -1.040 1.00 0.00 N ATOM 46 CA THR A 4 -6.509 1.854 -0.461 1.00 0.00 C ATOM 47 C THR A 4 -6.735 0.826 -1.567 1.00 0.00 C ATOM 48 O THR A 4 -7.818 0.718 -2.107 1.00 0.00 O ATOM 49 CB THR A 4 -7.512 1.622 0.670 1.00 0.00 C ATOM 50 OG1 THR A 4 -7.627 2.804 1.450 1.00 0.00 O ATOM 51 CG2 THR A 4 -7.028 0.468 1.551 1.00 0.00 C ATOM 0 H THR A 4 -7.540 3.337 -1.599 1.00 0.00 H new ATOM 0 HA THR A 4 -5.502 1.759 -0.056 1.00 0.00 H new ATOM 0 HB THR A 4 -8.486 1.371 0.249 1.00 0.00 H new ATOM 0 HG1 THR A 4 -8.271 2.657 2.174 1.00 0.00 H new ATOM 0 HG21 THR A 4 -7.742 0.302 2.358 1.00 0.00 H new ATOM 0 HG22 THR A 4 -6.942 -0.437 0.950 1.00 0.00 H new ATOM 0 HG23 THR A 4 -6.055 0.717 1.974 1.00 0.00 H new ATOM 59 N TYR A 5 -5.726 0.082 -1.927 1.00 0.00 N ATOM 60 CA TYR A 5 -5.908 -0.912 -3.017 1.00 0.00 C ATOM 61 C TYR A 5 -5.679 -2.323 -2.500 1.00 0.00 C ATOM 62 O TYR A 5 -4.783 -2.580 -1.724 1.00 0.00 O ATOM 63 CB TYR A 5 -4.939 -0.588 -4.158 1.00 0.00 C ATOM 64 CG TYR A 5 -3.622 -1.327 -4.030 1.00 0.00 C ATOM 65 CD1 TYR A 5 -3.520 -2.685 -4.376 1.00 0.00 C ATOM 66 CD2 TYR A 5 -2.478 -0.628 -3.631 1.00 0.00 C ATOM 67 CE1 TYR A 5 -2.287 -3.326 -4.312 1.00 0.00 C ATOM 68 CE2 TYR A 5 -1.240 -1.274 -3.581 1.00 0.00 C ATOM 69 CZ TYR A 5 -1.148 -2.625 -3.924 1.00 0.00 C ATOM 70 OH TYR A 5 0.069 -3.263 -3.888 1.00 0.00 O ATOM 0 H TYR A 5 -4.793 0.119 -1.517 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.931 -0.858 -3.388 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.405 -0.845 -5.109 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -4.749 0.485 -4.175 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -4.397 -3.230 -4.691 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -2.552 0.415 -3.361 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.213 -4.373 -4.565 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.357 -0.731 -3.278 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.055 -4.215 -4.084 1.00 0.00 H new ATOM 80 N ARG A 6 -6.491 -3.246 -2.931 1.00 0.00 N ATOM 81 CA ARG A 6 -6.323 -4.644 -2.470 1.00 0.00 C ATOM 82 C ARG A 6 -5.362 -5.364 -3.400 1.00 0.00 C ATOM 83 O ARG A 6 -5.576 -5.466 -4.593 1.00 0.00 O ATOM 84 CB ARG A 6 -7.674 -5.359 -2.460 1.00 0.00 C ATOM 85 CG ARG A 6 -8.435 -4.991 -1.185 1.00 0.00 C ATOM 86 CD ARG A 6 -9.934 -4.947 -1.479 1.00 0.00 C ATOM 87 NE ARG A 6 -10.515 -3.699 -0.910 1.00 0.00 N ATOM 88 CZ ARG A 6 -10.934 -3.680 0.327 1.00 0.00 C ATOM 89 NH1 ARG A 6 -12.193 -3.893 0.593 1.00 0.00 N ATOM 90 NH2 ARG A 6 -10.092 -3.448 1.296 1.00 0.00 N ATOM 0 H ARG A 6 -7.261 -3.090 -3.581 1.00 0.00 H new ATOM 0 HA ARG A 6 -5.920 -4.646 -1.457 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -8.255 -5.075 -3.338 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -7.527 -6.438 -2.510 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.229 -5.721 -0.402 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -8.098 -4.023 -0.815 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -10.106 -4.983 -2.555 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -10.426 -5.819 -1.048 1.00 0.00 H new ATOM 0 HE ARG A 6 -10.586 -2.860 -1.486 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -12.851 -4.075 -0.165 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -12.520 -3.878 1.559 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.108 -3.282 1.087 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -10.418 -3.433 2.262 1.00 0.00 H new ATOM 104 N VAL A 7 -4.299 -5.856 -2.850 1.00 0.00 N ATOM 105 CA VAL A 7 -3.289 -6.570 -3.662 1.00 0.00 C ATOM 106 C VAL A 7 -3.794 -7.975 -3.956 1.00 0.00 C ATOM 107 O VAL A 7 -3.899 -8.795 -3.080 1.00 0.00 O ATOM 108 CB VAL A 7 -2.004 -6.637 -2.846 1.00 0.00 C ATOM 109 CG1 VAL A 7 -0.824 -6.994 -3.744 1.00 0.00 C ATOM 110 CG2 VAL A 7 -1.754 -5.271 -2.214 1.00 0.00 C ATOM 0 H VAL A 7 -4.083 -5.793 -1.855 1.00 0.00 H new ATOM 0 HA VAL A 7 -3.108 -6.056 -4.606 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.106 -7.402 -2.076 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.087 -7.038 -3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.001 -7.964 -4.209 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.714 -6.235 -4.519 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.837 -5.304 -1.626 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.656 -4.520 -2.998 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.591 -5.011 -1.566 1.00 0.00 H new ATOM 120 N ARG A 8 -4.110 -8.259 -5.181 1.00 0.00 N ATOM 121 CA ARG A 8 -4.618 -9.617 -5.522 1.00 0.00 C ATOM 122 C ARG A 8 -3.477 -10.454 -6.092 1.00 0.00 C ATOM 123 O ARG A 8 -2.474 -9.928 -6.522 1.00 0.00 O ATOM 124 CB ARG A 8 -5.737 -9.499 -6.558 1.00 0.00 C ATOM 125 CG ARG A 8 -6.996 -8.957 -5.881 1.00 0.00 C ATOM 126 CD ARG A 8 -8.196 -9.140 -6.810 1.00 0.00 C ATOM 127 NE ARG A 8 -9.324 -9.744 -6.048 1.00 0.00 N ATOM 128 CZ ARG A 8 -10.296 -8.990 -5.610 1.00 0.00 C ATOM 129 NH1 ARG A 8 -11.519 -9.206 -6.008 1.00 0.00 N ATOM 130 NH2 ARG A 8 -10.042 -8.020 -4.773 1.00 0.00 N ATOM 0 H ARG A 8 -4.040 -7.611 -5.966 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.008 -10.098 -4.625 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -5.431 -8.836 -7.367 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -5.940 -10.473 -7.004 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.169 -9.479 -4.940 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -6.867 -7.902 -5.641 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.497 -8.179 -7.226 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.926 -9.780 -7.650 1.00 0.00 H new ATOM 0 HE ARG A 8 -9.337 -10.748 -5.868 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.716 -9.964 -6.661 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.278 -8.617 -5.666 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -9.085 -7.852 -4.462 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -10.800 -7.430 -4.430 1.00 0.00 H new ATOM 144 N LYS A 9 -3.611 -11.752 -6.087 1.00 0.00 N ATOM 145 CA LYS A 9 -2.514 -12.605 -6.628 1.00 0.00 C ATOM 146 C LYS A 9 -2.190 -12.152 -8.052 1.00 0.00 C ATOM 147 O LYS A 9 -3.066 -11.824 -8.827 1.00 0.00 O ATOM 148 CB LYS A 9 -2.945 -14.072 -6.645 1.00 0.00 C ATOM 149 CG LYS A 9 -4.285 -14.214 -7.374 1.00 0.00 C ATOM 150 CD LYS A 9 -4.041 -14.709 -8.802 1.00 0.00 C ATOM 151 CE LYS A 9 -5.200 -15.605 -9.237 1.00 0.00 C ATOM 152 NZ LYS A 9 -5.329 -15.564 -10.722 1.00 0.00 N ATOM 0 H LYS A 9 -4.425 -12.256 -5.735 1.00 0.00 H new ATOM 0 HA LYS A 9 -1.633 -12.505 -5.994 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.186 -14.677 -7.140 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.035 -14.445 -5.625 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.929 -14.913 -6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -4.803 -13.255 -7.394 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.948 -13.861 -9.481 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.102 -15.261 -8.851 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.027 -16.629 -8.904 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.127 -15.271 -8.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.118 -16.174 -11.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -5.512 -14.587 -11.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.447 -15.903 -11.157 1.00 0.00 H new ATOM 166 N GLY A 10 -0.933 -12.110 -8.393 1.00 0.00 N ATOM 167 CA GLY A 10 -0.547 -11.656 -9.757 1.00 0.00 C ATOM 168 C GLY A 10 -0.439 -10.123 -9.786 1.00 0.00 C ATOM 169 O GLY A 10 0.010 -9.547 -10.757 1.00 0.00 O ATOM 0 H GLY A 10 -0.156 -12.371 -7.786 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.406 -12.102 -10.042 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.286 -11.991 -10.484 1.00 0.00 H new ATOM 173 N ASP A 11 -0.842 -9.453 -8.734 1.00 0.00 N ATOM 174 CA ASP A 11 -0.755 -7.965 -8.719 1.00 0.00 C ATOM 175 C ASP A 11 0.657 -7.549 -8.327 1.00 0.00 C ATOM 176 O ASP A 11 1.350 -8.253 -7.619 1.00 0.00 O ATOM 177 CB ASP A 11 -1.745 -7.392 -7.703 1.00 0.00 C ATOM 178 CG ASP A 11 -3.168 -7.460 -8.265 1.00 0.00 C ATOM 179 OD1 ASP A 11 -3.446 -8.378 -9.022 1.00 0.00 O ATOM 180 OD2 ASP A 11 -3.957 -6.595 -7.925 1.00 0.00 O ATOM 0 H ASP A 11 -1.226 -9.874 -7.888 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.996 -7.583 -9.711 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.686 -7.952 -6.770 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.485 -6.359 -7.472 1.00 0.00 H new ATOM 185 N SER A 12 1.088 -6.404 -8.772 1.00 0.00 N ATOM 186 CA SER A 12 2.452 -5.936 -8.420 1.00 0.00 C ATOM 187 C SER A 12 2.344 -4.573 -7.741 1.00 0.00 C ATOM 188 O SER A 12 1.621 -3.716 -8.182 1.00 0.00 O ATOM 189 CB SER A 12 3.297 -5.812 -9.687 1.00 0.00 C ATOM 190 OG SER A 12 4.385 -6.723 -9.616 1.00 0.00 O ATOM 0 H SER A 12 0.552 -5.771 -9.366 1.00 0.00 H new ATOM 0 HA SER A 12 2.925 -6.650 -7.746 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.688 -6.023 -10.566 1.00 0.00 H new ATOM 0 HB3 SER A 12 3.668 -4.792 -9.793 1.00 0.00 H new ATOM 0 HG SER A 12 4.928 -6.647 -10.428 1.00 0.00 H new ATOM 196 N LEU A 13 3.060 -4.376 -6.674 1.00 0.00 N ATOM 197 CA LEU A 13 3.011 -3.067 -5.951 1.00 0.00 C ATOM 198 C LEU A 13 3.221 -1.934 -6.954 1.00 0.00 C ATOM 199 O LEU A 13 2.380 -1.061 -7.098 1.00 0.00 O ATOM 200 CB LEU A 13 4.120 -3.065 -4.893 1.00 0.00 C ATOM 201 CG LEU A 13 3.650 -3.813 -3.632 1.00 0.00 C ATOM 202 CD1 LEU A 13 2.595 -2.992 -2.910 1.00 0.00 C ATOM 203 CD2 LEU A 13 3.030 -5.166 -3.996 1.00 0.00 C ATOM 0 H LEU A 13 3.685 -5.069 -6.263 1.00 0.00 H new ATOM 0 HA LEU A 13 2.046 -2.924 -5.465 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.016 -3.539 -5.294 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.388 -2.040 -4.638 1.00 0.00 H new ATOM 0 HG LEU A 13 4.520 -3.970 -2.995 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.266 -3.526 -2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.017 -2.030 -2.621 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.744 -2.831 -3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 13 2.706 -5.674 -3.088 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.172 -5.009 -4.649 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.770 -5.779 -4.510 1.00 0.00 H new ATOM 215 N SER A 14 4.312 -1.949 -7.663 1.00 0.00 N ATOM 216 CA SER A 14 4.557 -0.877 -8.663 1.00 0.00 C ATOM 217 C SER A 14 3.439 -0.886 -9.718 1.00 0.00 C ATOM 218 O SER A 14 2.950 0.151 -10.133 1.00 0.00 O ATOM 219 CB SER A 14 5.903 -1.118 -9.345 1.00 0.00 C ATOM 220 OG SER A 14 6.258 -2.488 -9.207 1.00 0.00 O ATOM 0 H SER A 14 5.044 -2.656 -7.594 1.00 0.00 H new ATOM 0 HA SER A 14 4.569 0.090 -8.160 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.843 -0.850 -10.400 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.669 -0.485 -8.898 1.00 0.00 H new ATOM 0 HG SER A 14 6.817 -2.602 -8.410 1.00 0.00 H new ATOM 226 N SER A 15 3.035 -2.054 -10.158 1.00 0.00 N ATOM 227 CA SER A 15 1.954 -2.146 -11.188 1.00 0.00 C ATOM 228 C SER A 15 0.693 -1.462 -10.675 1.00 0.00 C ATOM 229 O SER A 15 0.078 -0.670 -11.360 1.00 0.00 O ATOM 230 CB SER A 15 1.649 -3.615 -11.483 1.00 0.00 C ATOM 231 OG SER A 15 0.567 -3.692 -12.402 1.00 0.00 O ATOM 0 H SER A 15 3.409 -2.950 -9.846 1.00 0.00 H new ATOM 0 HA SER A 15 2.288 -1.652 -12.101 1.00 0.00 H new ATOM 0 HB2 SER A 15 2.530 -4.106 -11.898 1.00 0.00 H new ATOM 0 HB3 SER A 15 1.397 -4.139 -10.561 1.00 0.00 H new ATOM 0 HG SER A 15 0.369 -4.632 -12.596 1.00 0.00 H new ATOM 237 N ILE A 16 0.320 -1.757 -9.470 1.00 0.00 N ATOM 238 CA ILE A 16 -0.887 -1.123 -8.882 1.00 0.00 C ATOM 239 C ILE A 16 -0.683 0.386 -8.906 1.00 0.00 C ATOM 240 O ILE A 16 -1.557 1.123 -9.304 1.00 0.00 O ATOM 241 CB ILE A 16 -1.086 -1.609 -7.445 1.00 0.00 C ATOM 242 CG1 ILE A 16 -1.700 -3.017 -7.457 1.00 0.00 C ATOM 243 CG2 ILE A 16 -2.035 -0.660 -6.723 1.00 0.00 C ATOM 244 CD1 ILE A 16 -0.729 -4.014 -6.824 1.00 0.00 C ATOM 0 H ILE A 16 0.802 -2.416 -8.859 1.00 0.00 H new ATOM 0 HA ILE A 16 -1.775 -1.391 -9.455 1.00 0.00 H new ATOM 0 HB ILE A 16 -0.123 -1.635 -6.934 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.643 -3.017 -6.910 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.926 -3.316 -8.481 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.181 -1.001 -5.698 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.609 0.343 -6.714 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.995 -0.642 -7.240 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.171 -5.010 -6.836 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.203 -4.024 -7.390 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.525 -3.720 -5.794 1.00 0.00 H new ATOM 256 N ALA A 17 0.476 0.849 -8.511 1.00 0.00 N ATOM 257 CA ALA A 17 0.734 2.319 -8.549 1.00 0.00 C ATOM 258 C ALA A 17 0.393 2.846 -9.940 1.00 0.00 C ATOM 259 O ALA A 17 -0.263 3.854 -10.087 1.00 0.00 O ATOM 260 CB ALA A 17 2.206 2.600 -8.307 1.00 0.00 C ATOM 0 H ALA A 17 1.248 0.278 -8.167 1.00 0.00 H new ATOM 0 HA ALA A 17 0.128 2.799 -7.781 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.381 3.675 -8.337 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.494 2.213 -7.330 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.801 2.114 -9.080 1.00 0.00 H new ATOM 266 N LYS A 18 0.855 2.169 -10.962 1.00 0.00 N ATOM 267 CA LYS A 18 0.578 2.621 -12.357 1.00 0.00 C ATOM 268 C LYS A 18 -0.922 2.876 -12.535 1.00 0.00 C ATOM 269 O LYS A 18 -1.322 3.806 -13.206 1.00 0.00 O ATOM 270 CB LYS A 18 1.033 1.544 -13.343 1.00 0.00 C ATOM 271 CG LYS A 18 2.058 2.139 -14.308 1.00 0.00 C ATOM 272 CD LYS A 18 2.622 1.033 -15.203 1.00 0.00 C ATOM 273 CE LYS A 18 2.617 1.504 -16.657 1.00 0.00 C ATOM 274 NZ LYS A 18 3.527 0.641 -17.463 1.00 0.00 N ATOM 0 H LYS A 18 1.414 1.319 -10.888 1.00 0.00 H new ATOM 0 HA LYS A 18 1.123 3.545 -12.548 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.470 0.703 -12.804 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.177 1.158 -13.897 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.592 2.912 -14.918 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.864 2.616 -13.750 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.637 0.782 -14.894 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.024 0.127 -15.101 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.605 1.461 -17.061 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.939 2.544 -16.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.523 0.962 -18.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.493 0.704 -17.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 3.200 -0.345 -17.418 1.00 0.00 H new ATOM 288 N ARG A 19 -1.753 2.068 -11.930 1.00 0.00 N ATOM 289 CA ARG A 19 -3.225 2.271 -12.056 1.00 0.00 C ATOM 290 C ARG A 19 -3.592 3.686 -11.590 1.00 0.00 C ATOM 291 O ARG A 19 -4.523 4.287 -12.084 1.00 0.00 O ATOM 292 CB ARG A 19 -3.954 1.250 -11.178 1.00 0.00 C ATOM 293 CG ARG A 19 -5.005 0.515 -12.010 1.00 0.00 C ATOM 294 CD ARG A 19 -4.592 -0.948 -12.172 1.00 0.00 C ATOM 295 NE ARG A 19 -3.303 -1.021 -12.919 1.00 0.00 N ATOM 296 CZ ARG A 19 -3.306 -1.183 -14.214 1.00 0.00 C ATOM 297 NH1 ARG A 19 -4.031 -2.128 -14.751 1.00 0.00 N ATOM 298 NH2 ARG A 19 -2.585 -0.404 -14.971 1.00 0.00 N ATOM 0 H ARG A 19 -1.474 1.275 -11.353 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.519 2.142 -13.098 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.241 0.538 -10.763 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.429 1.753 -10.336 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.979 0.578 -11.524 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.106 0.986 -12.988 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.485 -1.417 -11.194 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.366 -1.498 -12.707 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.418 -0.944 -12.417 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.594 -2.738 -14.158 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.034 -2.256 -15.763 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.018 0.333 -14.551 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.588 -0.531 -15.983 1.00 0.00 H new ATOM 312 N HIS A 20 -2.860 4.220 -10.650 1.00 0.00 N ATOM 313 CA HIS A 20 -3.159 5.596 -10.161 1.00 0.00 C ATOM 314 C HIS A 20 -1.988 6.532 -10.479 1.00 0.00 C ATOM 315 O HIS A 20 -1.914 7.624 -9.949 1.00 0.00 O ATOM 316 CB HIS A 20 -3.359 5.580 -8.639 1.00 0.00 C ATOM 317 CG HIS A 20 -3.455 4.166 -8.129 1.00 0.00 C ATOM 318 ND1 HIS A 20 -4.669 3.541 -7.901 1.00 0.00 N ATOM 319 CD2 HIS A 20 -2.495 3.251 -7.770 1.00 0.00 C ATOM 320 CE1 HIS A 20 -4.404 2.311 -7.424 1.00 0.00 C ATOM 321 NE2 HIS A 20 -3.099 2.086 -7.329 1.00 0.00 N ATOM 0 H HIS A 20 -2.068 3.762 -10.200 1.00 0.00 H new ATOM 0 HA HIS A 20 -4.065 5.946 -10.656 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.528 6.092 -8.153 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -4.266 6.127 -8.381 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -5.594 3.939 -8.064 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -1.429 3.416 -7.824 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -5.163 1.592 -7.151 1.00 0.00 H new ATOM 329 N GLY A 21 -1.065 6.122 -11.321 1.00 0.00 N ATOM 330 CA GLY A 21 0.101 7.006 -11.627 1.00 0.00 C ATOM 331 C GLY A 21 0.698 7.471 -10.299 1.00 0.00 C ATOM 332 O GLY A 21 0.841 8.651 -10.046 1.00 0.00 O ATOM 0 H GLY A 21 -1.071 5.223 -11.803 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.846 6.467 -12.212 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.215 7.862 -12.224 1.00 0.00 H new ATOM 336 N VAL A 22 1.005 6.544 -9.434 1.00 0.00 N ATOM 337 CA VAL A 22 1.544 6.915 -8.097 1.00 0.00 C ATOM 338 C VAL A 22 2.945 6.334 -7.883 1.00 0.00 C ATOM 339 O VAL A 22 3.444 5.571 -8.688 1.00 0.00 O ATOM 340 CB VAL A 22 0.606 6.386 -7.020 1.00 0.00 C ATOM 341 CG1 VAL A 22 -0.429 7.451 -6.675 1.00 0.00 C ATOM 342 CG2 VAL A 22 -0.110 5.134 -7.512 1.00 0.00 C ATOM 0 H VAL A 22 0.905 5.542 -9.597 1.00 0.00 H new ATOM 0 HA VAL A 22 1.614 8.001 -8.040 1.00 0.00 H new ATOM 0 HB VAL A 22 1.193 6.139 -6.135 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.099 7.071 -5.904 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.076 8.344 -6.308 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.005 7.701 -7.566 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.777 4.766 -6.732 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.690 5.373 -8.403 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.625 4.366 -7.753 1.00 0.00 H new ATOM 352 N ASN A 23 3.586 6.704 -6.801 1.00 0.00 N ATOM 353 CA ASN A 23 4.959 6.192 -6.522 1.00 0.00 C ATOM 354 C ASN A 23 4.914 5.151 -5.398 1.00 0.00 C ATOM 355 O ASN A 23 4.930 5.471 -4.218 1.00 0.00 O ATOM 356 CB ASN A 23 5.854 7.358 -6.101 1.00 0.00 C ATOM 357 CG ASN A 23 6.383 8.069 -7.348 1.00 0.00 C ATOM 358 OD1 ASN A 23 5.625 8.398 -8.240 1.00 0.00 O ATOM 359 ND2 ASN A 23 7.657 8.326 -7.445 1.00 0.00 N ATOM 0 H ASN A 23 3.213 7.342 -6.098 1.00 0.00 H new ATOM 0 HA ASN A 23 5.358 5.725 -7.422 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.292 8.057 -5.481 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.685 6.993 -5.497 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.020 8.804 -8.270 1.00 0.00 H new ATOM 0 HD22 ASN A 23 8.292 8.049 -6.696 1.00 0.00 H new ATOM 366 N ILE A 24 4.868 3.902 -5.749 1.00 0.00 N ATOM 367 CA ILE A 24 4.827 2.850 -4.703 1.00 0.00 C ATOM 368 C ILE A 24 5.989 3.049 -3.732 1.00 0.00 C ATOM 369 O ILE A 24 5.910 2.675 -2.581 1.00 0.00 O ATOM 370 CB ILE A 24 4.899 1.481 -5.358 1.00 0.00 C ATOM 371 CG1 ILE A 24 3.746 1.359 -6.329 1.00 0.00 C ATOM 372 CG2 ILE A 24 4.748 0.391 -4.315 1.00 0.00 C ATOM 373 CD1 ILE A 24 2.416 1.450 -5.560 1.00 0.00 C ATOM 0 H ILE A 24 4.857 3.564 -6.711 1.00 0.00 H new ATOM 0 HA ILE A 24 3.894 2.919 -4.144 1.00 0.00 H new ATOM 0 HB ILE A 24 5.860 1.374 -5.862 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.801 2.150 -7.077 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.805 0.411 -6.863 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.801 -0.585 -4.798 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.549 0.477 -3.581 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.785 0.496 -3.816 1.00 0.00 H new ATOM 0 HD11 ILE A 24 1.585 1.362 -6.259 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.362 0.643 -4.829 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.358 2.409 -5.046 1.00 0.00 H new ATOM 385 N LYS A 25 7.055 3.676 -4.160 1.00 0.00 N ATOM 386 CA LYS A 25 8.170 3.930 -3.211 1.00 0.00 C ATOM 387 C LYS A 25 7.623 4.836 -2.109 1.00 0.00 C ATOM 388 O LYS A 25 7.913 4.654 -0.946 1.00 0.00 O ATOM 389 CB LYS A 25 9.344 4.609 -3.914 1.00 0.00 C ATOM 390 CG LYS A 25 8.846 5.743 -4.815 1.00 0.00 C ATOM 391 CD LYS A 25 10.040 6.547 -5.327 1.00 0.00 C ATOM 392 CE LYS A 25 10.324 6.170 -6.782 1.00 0.00 C ATOM 393 NZ LYS A 25 10.992 7.312 -7.470 1.00 0.00 N ATOM 0 H LYS A 25 7.197 4.017 -5.111 1.00 0.00 H new ATOM 0 HA LYS A 25 8.539 2.990 -2.801 1.00 0.00 H new ATOM 0 HB2 LYS A 25 10.040 5.004 -3.174 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.892 3.878 -4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.282 5.335 -5.654 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.168 6.392 -4.260 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.833 7.614 -5.251 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.917 6.348 -4.711 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.959 5.285 -6.822 1.00 0.00 H new ATOM 0 HE3 LYS A 25 9.394 5.918 -7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.185 7.056 -8.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.370 8.145 -7.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.887 7.532 -6.988 1.00 0.00 H new ATOM 407 N ASP A 26 6.789 5.785 -2.467 1.00 0.00 N ATOM 408 CA ASP A 26 6.179 6.655 -1.430 1.00 0.00 C ATOM 409 C ASP A 26 5.347 5.748 -0.551 1.00 0.00 C ATOM 410 O ASP A 26 5.340 5.861 0.660 1.00 0.00 O ATOM 411 CB ASP A 26 5.271 7.712 -2.056 1.00 0.00 C ATOM 412 CG ASP A 26 6.066 8.592 -3.025 1.00 0.00 C ATOM 413 OD1 ASP A 26 7.275 8.438 -3.086 1.00 0.00 O ATOM 414 OD2 ASP A 26 5.450 9.413 -3.684 1.00 0.00 O ATOM 0 H ASP A 26 6.511 5.988 -3.427 1.00 0.00 H new ATOM 0 HA ASP A 26 6.956 7.178 -0.872 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.450 7.228 -2.584 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.828 8.329 -1.274 1.00 0.00 H new ATOM 419 N VAL A 27 4.671 4.815 -1.158 1.00 0.00 N ATOM 420 CA VAL A 27 3.871 3.851 -0.350 1.00 0.00 C ATOM 421 C VAL A 27 4.809 3.171 0.648 1.00 0.00 C ATOM 422 O VAL A 27 4.508 3.053 1.820 1.00 0.00 O ATOM 423 CB VAL A 27 3.248 2.796 -1.253 1.00 0.00 C ATOM 424 CG1 VAL A 27 2.354 1.889 -0.413 1.00 0.00 C ATOM 425 CG2 VAL A 27 2.424 3.494 -2.329 1.00 0.00 C ATOM 0 H VAL A 27 4.636 4.677 -2.168 1.00 0.00 H new ATOM 0 HA VAL A 27 3.073 4.380 0.170 1.00 0.00 H new ATOM 0 HB VAL A 27 4.024 2.194 -1.727 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.903 1.130 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.951 1.405 0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.569 2.483 0.054 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.972 2.748 -2.983 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.640 4.087 -1.859 1.00 0.00 H new ATOM 0 HG23 VAL A 27 3.070 4.147 -2.916 1.00 0.00 H new ATOM 435 N MET A 28 5.965 2.756 0.195 1.00 0.00 N ATOM 436 CA MET A 28 6.938 2.123 1.122 1.00 0.00 C ATOM 437 C MET A 28 7.534 3.215 2.012 1.00 0.00 C ATOM 438 O MET A 28 8.161 2.946 3.015 1.00 0.00 O ATOM 439 CB MET A 28 8.052 1.445 0.320 1.00 0.00 C ATOM 440 CG MET A 28 7.437 0.625 -0.817 1.00 0.00 C ATOM 441 SD MET A 28 8.054 -1.075 -0.736 1.00 0.00 S ATOM 442 CE MET A 28 9.651 -0.773 -1.535 1.00 0.00 C ATOM 0 H MET A 28 6.272 2.830 -0.775 1.00 0.00 H new ATOM 0 HA MET A 28 6.439 1.371 1.733 1.00 0.00 H new ATOM 0 HB2 MET A 28 8.731 2.195 -0.085 1.00 0.00 H new ATOM 0 HB3 MET A 28 8.642 0.799 0.971 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.350 0.633 -0.739 1.00 0.00 H new ATOM 0 HG3 MET A 28 7.691 1.070 -1.779 1.00 0.00 H new ATOM 0 HE1 MET A 28 10.211 -1.706 -1.592 1.00 0.00 H new ATOM 0 HE2 MET A 28 9.487 -0.386 -2.541 1.00 0.00 H new ATOM 0 HE3 MET A 28 10.217 -0.045 -0.953 1.00 0.00 H new ATOM 452 N ARG A 29 7.336 4.456 1.648 1.00 0.00 N ATOM 453 CA ARG A 29 7.874 5.575 2.465 1.00 0.00 C ATOM 454 C ARG A 29 7.022 5.731 3.727 1.00 0.00 C ATOM 455 O ARG A 29 7.537 5.920 4.810 1.00 0.00 O ATOM 456 CB ARG A 29 7.826 6.870 1.652 1.00 0.00 C ATOM 457 CG ARG A 29 8.676 7.942 2.333 1.00 0.00 C ATOM 458 CD ARG A 29 8.253 9.321 1.823 1.00 0.00 C ATOM 459 NE ARG A 29 9.054 10.373 2.508 1.00 0.00 N ATOM 460 CZ ARG A 29 10.350 10.404 2.365 1.00 0.00 C ATOM 461 NH1 ARG A 29 11.124 10.261 3.406 1.00 0.00 N ATOM 462 NH2 ARG A 29 10.873 10.577 1.181 1.00 0.00 N ATOM 0 H ARG A 29 6.821 4.740 0.814 1.00 0.00 H new ATOM 0 HA ARG A 29 8.906 5.363 2.744 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.193 6.689 0.642 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.796 7.214 1.560 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.552 7.888 3.415 1.00 0.00 H new ATOM 0 HG3 ARG A 29 9.732 7.772 2.124 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.400 9.382 0.745 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.191 9.479 2.010 1.00 0.00 H new ATOM 0 HE ARG A 29 8.589 11.070 3.090 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.715 10.125 4.331 1.00 0.00 H new ATOM 0 HH12 ARG A 29 12.138 10.285 3.295 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.268 10.688 0.367 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.887 10.601 1.070 1.00 0.00 H new ATOM 476 N TRP A 30 5.720 5.646 3.606 1.00 0.00 N ATOM 477 CA TRP A 30 4.864 5.785 4.824 1.00 0.00 C ATOM 478 C TRP A 30 4.783 4.440 5.541 1.00 0.00 C ATOM 479 O TRP A 30 4.748 4.378 6.754 1.00 0.00 O ATOM 480 CB TRP A 30 3.452 6.232 4.442 1.00 0.00 C ATOM 481 CG TRP A 30 3.529 7.381 3.499 1.00 0.00 C ATOM 482 CD1 TRP A 30 3.968 8.622 3.809 1.00 0.00 C ATOM 483 CD2 TRP A 30 3.158 7.416 2.099 1.00 0.00 C ATOM 484 NE1 TRP A 30 3.897 9.414 2.677 1.00 0.00 N ATOM 485 CE2 TRP A 30 3.402 8.712 1.596 1.00 0.00 C ATOM 486 CE3 TRP A 30 2.641 6.449 1.227 1.00 0.00 C ATOM 487 CZ2 TRP A 30 3.142 9.039 0.266 1.00 0.00 C ATOM 488 CZ3 TRP A 30 2.378 6.770 -0.108 1.00 0.00 C ATOM 489 CH2 TRP A 30 2.628 8.062 -0.590 1.00 0.00 C ATOM 0 H TRP A 30 5.219 5.489 2.731 1.00 0.00 H new ATOM 0 HA TRP A 30 5.308 6.535 5.478 1.00 0.00 H new ATOM 0 HB2 TRP A 30 2.911 5.406 3.981 1.00 0.00 H new ATOM 0 HB3 TRP A 30 2.896 6.518 5.335 1.00 0.00 H new ATOM 0 HD1 TRP A 30 4.316 8.942 4.780 1.00 0.00 H new ATOM 0 HE1 TRP A 30 4.176 10.395 2.645 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.445 5.450 1.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 3.336 10.037 -0.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.980 6.017 -0.772 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.423 8.302 -1.623 1.00 0.00 H new ATOM 500 N ASN A 31 4.753 3.360 4.808 1.00 0.00 N ATOM 501 CA ASN A 31 4.672 2.032 5.468 1.00 0.00 C ATOM 502 C ASN A 31 6.081 1.490 5.690 1.00 0.00 C ATOM 503 O ASN A 31 6.930 1.565 4.828 1.00 0.00 O ATOM 504 CB ASN A 31 3.892 1.057 4.590 1.00 0.00 C ATOM 505 CG ASN A 31 2.465 1.573 4.393 1.00 0.00 C ATOM 506 OD1 ASN A 31 1.572 1.226 5.141 1.00 0.00 O ATOM 507 ND2 ASN A 31 2.209 2.394 3.411 1.00 0.00 N ATOM 0 H ASN A 31 4.781 3.342 3.789 1.00 0.00 H new ATOM 0 HA ASN A 31 4.161 2.141 6.425 1.00 0.00 H new ATOM 0 HB2 ASN A 31 4.386 0.946 3.625 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.872 0.071 5.053 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.261 2.743 3.272 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.957 2.686 2.782 1.00 0.00 H new ATOM 514 N SER A 32 6.328 0.940 6.840 1.00 0.00 N ATOM 515 CA SER A 32 7.681 0.384 7.129 1.00 0.00 C ATOM 516 C SER A 32 7.648 -1.134 6.967 1.00 0.00 C ATOM 517 O SER A 32 8.656 -1.771 6.733 1.00 0.00 O ATOM 518 CB SER A 32 8.087 0.743 8.558 1.00 0.00 C ATOM 519 OG SER A 32 9.179 -0.078 8.958 1.00 0.00 O ATOM 0 H SER A 32 5.651 0.849 7.598 1.00 0.00 H new ATOM 0 HA SER A 32 8.407 0.807 6.434 1.00 0.00 H new ATOM 0 HB2 SER A 32 8.368 1.795 8.615 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.244 0.601 9.234 1.00 0.00 H new ATOM 0 HG SER A 32 9.442 0.151 9.874 1.00 0.00 H new ATOM 525 N ASP A 33 6.491 -1.711 7.080 1.00 0.00 N ATOM 526 CA ASP A 33 6.366 -3.182 6.928 1.00 0.00 C ATOM 527 C ASP A 33 5.229 -3.478 5.956 1.00 0.00 C ATOM 528 O ASP A 33 4.073 -3.510 6.329 1.00 0.00 O ATOM 529 CB ASP A 33 6.059 -3.815 8.285 1.00 0.00 C ATOM 530 CG ASP A 33 7.286 -4.583 8.780 1.00 0.00 C ATOM 531 OD1 ASP A 33 7.825 -5.359 8.008 1.00 0.00 O ATOM 532 OD2 ASP A 33 7.666 -4.382 9.922 1.00 0.00 O ATOM 0 H ASP A 33 5.617 -1.222 7.273 1.00 0.00 H new ATOM 0 HA ASP A 33 7.299 -3.596 6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 33 5.785 -3.043 9.004 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.206 -4.488 8.199 1.00 0.00 H new ATOM 537 N THR A 34 5.543 -3.695 4.708 1.00 0.00 N ATOM 538 CA THR A 34 4.474 -3.986 3.715 1.00 0.00 C ATOM 539 C THR A 34 4.222 -5.496 3.653 1.00 0.00 C ATOM 540 O THR A 34 3.803 -6.029 2.641 1.00 0.00 O ATOM 541 CB THR A 34 4.908 -3.474 2.341 1.00 0.00 C ATOM 542 OG1 THR A 34 6.148 -4.067 1.985 1.00 0.00 O ATOM 543 CG2 THR A 34 5.061 -1.951 2.393 1.00 0.00 C ATOM 0 H THR A 34 6.492 -3.683 4.335 1.00 0.00 H new ATOM 0 HA THR A 34 3.553 -3.486 4.014 1.00 0.00 H new ATOM 0 HB THR A 34 4.156 -3.738 1.597 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.426 -3.740 1.104 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.370 -1.583 1.415 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.108 -1.499 2.666 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.814 -1.686 3.135 1.00 0.00 H new ATOM 551 N ALA A 35 4.450 -6.194 4.739 1.00 0.00 N ATOM 552 CA ALA A 35 4.203 -7.659 4.747 1.00 0.00 C ATOM 553 C ALA A 35 2.701 -7.927 4.624 1.00 0.00 C ATOM 554 O ALA A 35 2.276 -9.054 4.470 1.00 0.00 O ATOM 555 CB ALA A 35 4.724 -8.258 6.055 1.00 0.00 C ATOM 0 H ALA A 35 4.796 -5.807 5.617 1.00 0.00 H new ATOM 0 HA ALA A 35 4.722 -8.118 3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.543 -9.333 6.061 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.794 -8.070 6.140 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.207 -7.798 6.897 1.00 0.00 H new ATOM 561 N ASN A 36 1.889 -6.901 4.676 1.00 0.00 N ATOM 562 CA ASN A 36 0.429 -7.110 4.543 1.00 0.00 C ATOM 563 C ASN A 36 0.060 -7.193 3.061 1.00 0.00 C ATOM 564 O ASN A 36 -1.095 -7.320 2.720 1.00 0.00 O ATOM 565 CB ASN A 36 -0.315 -5.938 5.188 1.00 0.00 C ATOM 566 CG ASN A 36 -1.432 -6.472 6.088 1.00 0.00 C ATOM 567 OD1 ASN A 36 -1.808 -7.624 5.993 1.00 0.00 O ATOM 568 ND2 ASN A 36 -1.983 -5.676 6.963 1.00 0.00 N ATOM 0 H ASN A 36 2.180 -5.932 4.805 1.00 0.00 H new ATOM 0 HA ASN A 36 0.148 -8.038 5.041 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.377 -5.332 5.772 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.733 -5.291 4.417 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -2.729 -6.021 7.567 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.668 -4.709 7.043 1.00 0.00 H new ATOM 575 N LEU A 37 1.021 -7.120 2.169 1.00 0.00 N ATOM 576 CA LEU A 37 0.682 -7.202 0.721 1.00 0.00 C ATOM 577 C LEU A 37 0.387 -8.660 0.370 1.00 0.00 C ATOM 578 O LEU A 37 1.181 -9.340 -0.249 1.00 0.00 O ATOM 579 CB LEU A 37 1.850 -6.698 -0.133 1.00 0.00 C ATOM 580 CG LEU A 37 1.899 -5.166 -0.125 1.00 0.00 C ATOM 581 CD1 LEU A 37 1.414 -4.618 1.218 1.00 0.00 C ATOM 582 CD2 LEU A 37 3.336 -4.704 -0.361 1.00 0.00 C ATOM 0 H LEU A 37 2.012 -7.009 2.382 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.189 -6.579 0.519 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.788 -7.100 0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.743 -7.059 -1.156 1.00 0.00 H new ATOM 0 HG LEU A 37 1.248 -4.793 -0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.457 -3.529 1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.387 -4.939 1.392 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.052 -4.995 2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.373 -3.615 -0.356 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.978 -5.093 0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.683 -5.074 -1.325 1.00 0.00 H new ATOM 594 N GLN A 38 -0.757 -9.137 0.763 1.00 0.00 N ATOM 595 CA GLN A 38 -1.144 -10.534 0.473 1.00 0.00 C ATOM 596 C GLN A 38 -2.238 -10.484 -0.575 1.00 0.00 C ATOM 597 O GLN A 38 -2.820 -9.438 -0.792 1.00 0.00 O ATOM 598 CB GLN A 38 -1.673 -11.190 1.750 1.00 0.00 C ATOM 599 CG GLN A 38 -0.503 -11.536 2.670 1.00 0.00 C ATOM 600 CD GLN A 38 0.303 -12.685 2.060 1.00 0.00 C ATOM 601 OE1 GLN A 38 1.464 -12.524 1.740 1.00 0.00 O ATOM 602 NE2 GLN A 38 -0.267 -13.845 1.886 1.00 0.00 N ATOM 0 H GLN A 38 -1.452 -8.603 1.284 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.293 -11.114 0.115 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -2.362 -10.516 2.259 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.233 -12.092 1.503 1.00 0.00 H new ATOM 0 HG2 GLN A 38 0.135 -10.663 2.808 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -0.873 -11.820 3.655 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.242 -13.980 2.155 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.262 -14.618 1.481 1.00 0.00 H new ATOM 611 N PRO A 39 -2.494 -11.596 -1.198 1.00 0.00 N ATOM 612 CA PRO A 39 -3.524 -11.668 -2.233 1.00 0.00 C ATOM 613 C PRO A 39 -4.901 -11.506 -1.595 1.00 0.00 C ATOM 614 O PRO A 39 -5.574 -12.462 -1.264 1.00 0.00 O ATOM 615 CB PRO A 39 -3.317 -13.047 -2.867 1.00 0.00 C ATOM 616 CG PRO A 39 -2.547 -13.887 -1.823 1.00 0.00 C ATOM 617 CD PRO A 39 -1.816 -12.878 -0.917 1.00 0.00 C ATOM 0 HA PRO A 39 -3.458 -10.882 -2.985 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -4.273 -13.511 -3.112 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -2.753 -12.968 -3.796 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -3.229 -14.508 -1.243 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.839 -14.559 -2.309 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -1.899 -13.152 0.135 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -0.753 -12.828 -1.151 1.00 0.00 H new ATOM 625 N GLY A 40 -5.303 -10.279 -1.414 1.00 0.00 N ATOM 626 CA GLY A 40 -6.618 -9.989 -0.789 1.00 0.00 C ATOM 627 C GLY A 40 -6.439 -8.979 0.358 1.00 0.00 C ATOM 628 O GLY A 40 -7.326 -8.801 1.167 1.00 0.00 O ATOM 0 H GLY A 40 -4.765 -9.454 -1.678 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.305 -9.588 -1.535 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.061 -10.910 -0.409 1.00 0.00 H new ATOM 632 N ASP A 41 -5.307 -8.312 0.443 1.00 0.00 N ATOM 633 CA ASP A 41 -5.119 -7.329 1.551 1.00 0.00 C ATOM 634 C ASP A 41 -5.125 -5.910 0.984 1.00 0.00 C ATOM 635 O ASP A 41 -4.738 -5.687 -0.142 1.00 0.00 O ATOM 636 CB ASP A 41 -3.784 -7.591 2.240 1.00 0.00 C ATOM 637 CG ASP A 41 -4.026 -7.974 3.699 1.00 0.00 C ATOM 638 OD1 ASP A 41 -4.496 -7.129 4.443 1.00 0.00 O ATOM 639 OD2 ASP A 41 -3.734 -9.106 4.050 1.00 0.00 O ATOM 0 H ASP A 41 -4.520 -8.407 -0.199 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.930 -7.436 2.271 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.250 -8.391 1.727 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -3.155 -6.702 2.186 1.00 0.00 H new ATOM 644 N LYS A 42 -5.560 -4.946 1.754 1.00 0.00 N ATOM 645 CA LYS A 42 -5.593 -3.545 1.251 1.00 0.00 C ATOM 646 C LYS A 42 -4.212 -2.903 1.413 1.00 0.00 C ATOM 647 O LYS A 42 -3.383 -3.368 2.170 1.00 0.00 O ATOM 648 CB LYS A 42 -6.643 -2.748 2.035 1.00 0.00 C ATOM 649 CG LYS A 42 -6.018 -2.140 3.295 1.00 0.00 C ATOM 650 CD LYS A 42 -5.711 -3.248 4.307 1.00 0.00 C ATOM 651 CE LYS A 42 -5.618 -2.654 5.713 1.00 0.00 C ATOM 652 NZ LYS A 42 -4.853 -1.376 5.667 1.00 0.00 N ATOM 0 H LYS A 42 -5.894 -5.071 2.710 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.858 -3.543 0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.053 -1.957 1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.473 -3.399 2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.103 -1.606 3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -6.699 -1.411 3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -6.491 -4.009 4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.774 -3.741 4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -6.617 -2.477 6.111 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.128 -3.359 6.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.499 -1.149 6.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.050 -1.475 5.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.475 -0.611 5.337 1.00 0.00 H new ATOM 666 N LEU A 43 -3.949 -1.859 0.674 1.00 0.00 N ATOM 667 CA LEU A 43 -2.617 -1.203 0.747 1.00 0.00 C ATOM 668 C LEU A 43 -2.766 0.318 0.660 1.00 0.00 C ATOM 669 O LEU A 43 -3.518 0.832 -0.142 1.00 0.00 O ATOM 670 CB LEU A 43 -1.784 -1.684 -0.433 1.00 0.00 C ATOM 671 CG LEU A 43 -0.575 -2.474 0.064 1.00 0.00 C ATOM 672 CD1 LEU A 43 0.444 -2.554 -1.058 1.00 0.00 C ATOM 673 CD2 LEU A 43 0.067 -1.783 1.273 1.00 0.00 C ATOM 0 H LEU A 43 -4.605 -1.432 0.020 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.138 -1.457 1.693 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.392 -2.309 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.452 -0.831 -1.025 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.900 -3.470 0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.315 -3.116 -0.719 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.000 -3.056 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.750 -1.548 -1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.926 -2.363 1.610 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.394 -0.783 0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.662 -1.711 2.080 1.00 0.00 H new ATOM 685 N THR A 44 -2.050 1.039 1.480 1.00 0.00 N ATOM 686 CA THR A 44 -2.146 2.520 1.451 1.00 0.00 C ATOM 687 C THR A 44 -1.476 3.071 0.195 1.00 0.00 C ATOM 688 O THR A 44 -0.329 2.793 -0.084 1.00 0.00 O ATOM 689 CB THR A 44 -1.434 3.107 2.675 1.00 0.00 C ATOM 690 OG1 THR A 44 -2.374 3.282 3.725 1.00 0.00 O ATOM 691 CG2 THR A 44 -0.807 4.463 2.312 1.00 0.00 C ATOM 0 H THR A 44 -1.401 0.661 2.170 1.00 0.00 H new ATOM 0 HA THR A 44 -3.200 2.796 1.456 1.00 0.00 H new ATOM 0 HB THR A 44 -0.647 2.426 2.998 1.00 0.00 H new ATOM 0 HG1 THR A 44 -1.922 3.656 4.510 1.00 0.00 H new ATOM 0 HG21 THR A 44 -0.302 4.876 3.185 1.00 0.00 H new ATOM 0 HG22 THR A 44 -0.085 4.326 1.507 1.00 0.00 H new ATOM 0 HG23 THR A 44 -1.588 5.150 1.986 1.00 0.00 H new ATOM 699 N LEU A 45 -2.173 3.885 -0.541 1.00 0.00 N ATOM 700 CA LEU A 45 -1.571 4.501 -1.749 1.00 0.00 C ATOM 701 C LEU A 45 -1.611 6.013 -1.555 1.00 0.00 C ATOM 702 O LEU A 45 -2.120 6.739 -2.388 1.00 0.00 O ATOM 703 CB LEU A 45 -2.359 4.138 -3.014 1.00 0.00 C ATOM 704 CG LEU A 45 -1.818 2.859 -3.645 1.00 0.00 C ATOM 705 CD1 LEU A 45 -2.888 2.291 -4.564 1.00 0.00 C ATOM 706 CD2 LEU A 45 -0.575 3.174 -4.476 1.00 0.00 C ATOM 0 H LEU A 45 -3.140 4.151 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.552 4.135 -1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.413 4.008 -2.766 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.299 4.956 -3.732 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.557 2.145 -2.864 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.521 1.375 -5.026 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.785 2.072 -3.986 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.125 3.019 -5.340 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.194 2.256 -4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.834 3.882 -5.264 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.191 3.610 -3.834 1.00 0.00 H new ATOM 718 N PHE A 46 -1.068 6.498 -0.460 1.00 0.00 N ATOM 719 CA PHE A 46 -1.054 7.972 -0.223 1.00 0.00 C ATOM 720 C PHE A 46 -0.439 8.636 -1.448 1.00 0.00 C ATOM 721 O PHE A 46 -0.677 9.792 -1.734 1.00 0.00 O ATOM 722 CB PHE A 46 -0.201 8.294 1.008 1.00 0.00 C ATOM 723 CG PHE A 46 -1.072 8.403 2.234 1.00 0.00 C ATOM 724 CD1 PHE A 46 -2.302 9.068 2.169 1.00 0.00 C ATOM 725 CD2 PHE A 46 -0.644 7.839 3.442 1.00 0.00 C ATOM 726 CE1 PHE A 46 -3.105 9.166 3.310 1.00 0.00 C ATOM 727 CE2 PHE A 46 -1.446 7.938 4.583 1.00 0.00 C ATOM 728 CZ PHE A 46 -2.677 8.601 4.518 1.00 0.00 C ATOM 0 H PHE A 46 -0.637 5.936 0.274 1.00 0.00 H new ATOM 0 HA PHE A 46 -2.067 8.335 -0.053 1.00 0.00 H new ATOM 0 HB2 PHE A 46 0.548 7.516 1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 46 0.337 9.229 0.852 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -2.631 9.505 1.238 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.306 7.327 3.492 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.055 9.677 3.260 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -1.116 7.503 5.515 1.00 0.00 H new ATOM 0 HZ PHE A 46 -3.297 8.677 5.399 1.00 0.00 H new ATOM 738 N VAL A 47 0.345 7.876 -2.165 1.00 0.00 N ATOM 739 CA VAL A 47 1.006 8.358 -3.393 1.00 0.00 C ATOM 740 C VAL A 47 0.048 9.248 -4.191 1.00 0.00 C ATOM 741 O VAL A 47 -1.127 8.960 -4.310 1.00 0.00 O ATOM 742 CB VAL A 47 1.390 7.130 -4.224 1.00 0.00 C ATOM 743 CG1 VAL A 47 2.660 6.499 -3.678 1.00 0.00 C ATOM 744 CG2 VAL A 47 0.281 6.075 -4.154 1.00 0.00 C ATOM 0 H VAL A 47 0.556 6.905 -1.933 1.00 0.00 H new ATOM 0 HA VAL A 47 1.890 8.946 -3.145 1.00 0.00 H new ATOM 0 HB VAL A 47 1.541 7.458 -5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.921 5.627 -4.279 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.473 7.224 -3.719 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.499 6.192 -2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 47 0.566 5.207 -4.749 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.132 5.772 -3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.646 6.495 -4.546 1.00 0.00 H new ATOM 754 N LYS A 48 0.542 10.323 -4.736 1.00 0.00 N ATOM 755 CA LYS A 48 -0.341 11.226 -5.525 1.00 0.00 C ATOM 756 C LYS A 48 -0.185 10.912 -7.013 1.00 0.00 C ATOM 757 O LYS A 48 0.927 10.999 -7.506 1.00 0.00 O ATOM 758 CB LYS A 48 0.052 12.681 -5.262 1.00 0.00 C ATOM 759 CG LYS A 48 -1.167 13.581 -5.457 1.00 0.00 C ATOM 760 CD LYS A 48 -0.790 14.764 -6.349 1.00 0.00 C ATOM 761 CE LYS A 48 -0.178 15.875 -5.492 1.00 0.00 C ATOM 762 NZ LYS A 48 0.691 16.737 -6.344 1.00 0.00 N ATOM 763 OXT LYS A 48 -1.182 10.584 -7.637 1.00 0.00 O ATOM 0 H LYS A 48 1.517 10.616 -4.670 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.379 11.074 -5.229 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.437 12.787 -4.248 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.851 12.981 -5.940 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.981 13.015 -5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.526 13.939 -4.492 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.080 14.446 -7.112 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.672 15.136 -6.870 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.967 16.473 -5.035 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.405 15.443 -4.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.107 17.492 -5.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.451 16.161 -6.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.122 17.160 -7.105 1.00 0.00 H new TER 777 LYS A 48