USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 623 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 25 TYR OH : rot -32:sc= -1.04! USER MOD Set 1.2: A 29 THR OG1 : rot -66:sc= 1.23 USER MOD Set 1.3: A 57 THR OG1 : rot 180:sc= 0 USER MOD Set 1.4: A 64 SER OG : rot -170:sc= -1.98! USER MOD Single : A 1 MET CE :methyl -145:sc= -1.33 (180deg=-6.47!) USER MOD Single : A 1 MET N :NH3+ -128:sc= 1.1 (180deg=0.158!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.164) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 ASN : amide:sc= -2.61! C(o=-2.6!,f=-14!) USER MOD Single : A 15 ASN : amide:sc= -2.42! C(o=-2.4!,f=-2.8!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.08 K(o=-2.1,f=-1.2) USER MOD Single : A 37 ASN : amide:sc= -0.0714 K(o=-0.071,f=-0.65) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 141:sc= -3.43 (180deg=-6.14!) USER MOD Single : A 44 ASN : amide:sc= -5! C(o=-5!,f=-4.2!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 166:sc=-0.00602 (180deg=-0.159) USER MOD Single : A 67 TYR OH : rot -122:sc= 0.495 USER MOD Single : A 69 LYS NZ :NH3+ -160:sc= -0.0628 (180deg=-0.545) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 139:sc= -0.952 (180deg=-4.77!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.411 -10.279 8.553 1.00 0.00 N ATOM 2 CA MET A 1 -11.003 -10.625 8.661 1.00 0.00 C ATOM 3 C MET A 1 -10.415 -10.119 9.979 1.00 0.00 C ATOM 4 O MET A 1 -11.135 -9.584 10.821 1.00 0.00 O ATOM 5 CB MET A 1 -10.235 -10.012 7.489 1.00 0.00 C ATOM 6 CG MET A 1 -10.297 -8.483 7.533 1.00 0.00 C ATOM 7 SD MET A 1 -11.881 -7.919 6.934 1.00 0.00 S ATOM 8 CE MET A 1 -11.635 -6.154 7.022 1.00 0.00 C ATOM 0 H1 MET A 1 -12.962 -11.132 8.328 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.741 -9.882 9.456 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.539 -9.576 7.798 1.00 0.00 H new ATOM 0 HA MET A 1 -10.911 -11.711 8.637 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.196 -10.339 7.520 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.654 -10.370 6.548 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.139 -8.134 8.553 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.497 -8.061 6.924 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.572 -5.669 7.297 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.876 -5.929 7.772 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.307 -5.784 6.051 1.00 0.00 H new ATOM 18 N ASP A 2 -9.110 -10.306 10.118 1.00 0.00 N ATOM 19 CA ASP A 2 -8.416 -9.875 11.320 1.00 0.00 C ATOM 20 C ASP A 2 -7.401 -8.790 10.956 1.00 0.00 C ATOM 21 O ASP A 2 -6.662 -8.928 9.981 1.00 0.00 O ATOM 22 CB ASP A 2 -7.657 -11.036 11.964 1.00 0.00 C ATOM 23 CG ASP A 2 -8.146 -11.435 13.357 1.00 0.00 C ATOM 24 OD1 ASP A 2 -9.041 -10.728 13.869 1.00 0.00 O ATOM 25 OD2 ASP A 2 -7.615 -12.439 13.880 1.00 0.00 O ATOM 0 H ASP A 2 -8.515 -10.750 9.418 1.00 0.00 H new ATOM 0 HA ASP A 2 -9.160 -9.497 12.022 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.727 -11.904 11.308 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.602 -10.769 12.028 1.00 0.00 H new ATOM 30 N ILE A 3 -7.396 -7.735 11.757 1.00 0.00 N ATOM 31 CA ILE A 3 -6.483 -6.627 11.532 1.00 0.00 C ATOM 32 C ILE A 3 -5.625 -6.417 12.781 1.00 0.00 C ATOM 33 O ILE A 3 -6.142 -6.396 13.897 1.00 0.00 O ATOM 34 CB ILE A 3 -7.254 -5.379 11.097 1.00 0.00 C ATOM 35 CG1 ILE A 3 -7.968 -5.612 9.764 1.00 0.00 C ATOM 36 CG2 ILE A 3 -6.334 -4.157 11.048 1.00 0.00 C ATOM 37 CD1 ILE A 3 -8.654 -4.333 9.279 1.00 0.00 C ATOM 0 H ILE A 3 -8.010 -7.624 12.564 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.801 -6.854 10.712 1.00 0.00 H new ATOM 0 HB ILE A 3 -8.023 -5.175 11.842 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -7.250 -5.950 9.017 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.707 -6.405 9.877 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.906 -3.283 10.736 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -5.911 -3.980 12.037 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.528 -4.336 10.336 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.154 -4.526 8.330 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.389 -4.012 10.017 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -7.909 -3.549 9.144 1.00 0.00 H new ATOM 49 N LYS A 4 -4.329 -6.265 12.551 1.00 0.00 N ATOM 50 CA LYS A 4 -3.395 -6.056 13.643 1.00 0.00 C ATOM 51 C LYS A 4 -2.593 -4.779 13.386 1.00 0.00 C ATOM 52 O LYS A 4 -1.739 -4.745 12.502 1.00 0.00 O ATOM 53 CB LYS A 4 -2.524 -7.298 13.848 1.00 0.00 C ATOM 54 CG LYS A 4 -1.281 -7.248 12.957 1.00 0.00 C ATOM 55 CD LYS A 4 -0.599 -8.616 12.890 1.00 0.00 C ATOM 56 CE LYS A 4 0.633 -8.660 13.795 1.00 0.00 C ATOM 57 NZ LYS A 4 0.281 -9.205 15.126 1.00 0.00 N ATOM 0 H LYS A 4 -3.904 -6.283 11.624 1.00 0.00 H new ATOM 0 HA LYS A 4 -3.932 -5.912 14.581 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.224 -7.368 14.894 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.102 -8.194 13.622 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -1.561 -6.928 11.953 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -0.581 -6.507 13.344 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.303 -9.392 13.190 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.307 -8.831 11.862 1.00 0.00 H new ATOM 0 HE2 LYS A 4 1.406 -9.276 13.336 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.047 -7.658 13.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.129 -9.228 15.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -0.441 -8.601 15.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -0.093 -10.169 15.018 1.00 0.00 H new ATOM 71 N ILE A 5 -2.898 -3.759 14.175 1.00 0.00 N ATOM 72 CA ILE A 5 -2.216 -2.482 14.045 1.00 0.00 C ATOM 73 C ILE A 5 -0.712 -2.690 14.230 1.00 0.00 C ATOM 74 O ILE A 5 -0.267 -3.118 15.294 1.00 0.00 O ATOM 75 CB ILE A 5 -2.818 -1.453 15.004 1.00 0.00 C ATOM 76 CG1 ILE A 5 -4.283 -1.175 14.662 1.00 0.00 C ATOM 77 CG2 ILE A 5 -1.982 -0.171 15.027 1.00 0.00 C ATOM 78 CD1 ILE A 5 -5.147 -1.160 15.925 1.00 0.00 C ATOM 0 H ILE A 5 -3.608 -3.791 14.907 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.360 -2.073 13.045 1.00 0.00 H new ATOM 0 HB ILE A 5 -2.796 -1.871 16.011 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.365 -0.217 14.149 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.651 -1.937 13.974 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.431 0.544 15.716 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.969 -0.403 15.355 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.950 0.260 14.027 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -6.184 -0.960 15.654 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.082 -2.128 16.422 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.792 -0.381 16.600 1.00 0.00 H new ATOM 90 N ILE A 6 0.031 -2.378 13.178 1.00 0.00 N ATOM 91 CA ILE A 6 1.476 -2.526 13.212 1.00 0.00 C ATOM 92 C ILE A 6 2.092 -1.311 13.909 1.00 0.00 C ATOM 93 O ILE A 6 2.577 -1.417 15.034 1.00 0.00 O ATOM 94 CB ILE A 6 2.022 -2.769 11.804 1.00 0.00 C ATOM 95 CG1 ILE A 6 1.572 -4.130 11.269 1.00 0.00 C ATOM 96 CG2 ILE A 6 3.544 -2.616 11.772 1.00 0.00 C ATOM 97 CD1 ILE A 6 2.486 -5.248 11.776 1.00 0.00 C ATOM 0 H ILE A 6 -0.341 -2.023 12.297 1.00 0.00 H new ATOM 0 HA ILE A 6 1.756 -3.404 13.794 1.00 0.00 H new ATOM 0 HB ILE A 6 1.608 -2.009 11.141 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.546 -4.326 11.580 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.578 -4.116 10.179 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.906 -2.794 10.760 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.815 -1.607 12.082 1.00 0.00 H new ATOM 0 HG23 ILE A 6 3.997 -3.338 12.451 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.144 -6.205 11.381 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.507 -5.062 11.443 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.459 -5.275 12.865 1.00 0.00 H new ATOM 109 N LYS A 7 2.052 -0.185 13.212 1.00 0.00 N ATOM 110 CA LYS A 7 2.601 1.048 13.750 1.00 0.00 C ATOM 111 C LYS A 7 1.750 2.228 13.277 1.00 0.00 C ATOM 112 O LYS A 7 1.132 2.167 12.215 1.00 0.00 O ATOM 113 CB LYS A 7 4.083 1.176 13.392 1.00 0.00 C ATOM 114 CG LYS A 7 4.966 0.593 14.497 1.00 0.00 C ATOM 115 CD LYS A 7 6.430 0.988 14.294 1.00 0.00 C ATOM 116 CE LYS A 7 7.359 -0.202 14.544 1.00 0.00 C ATOM 117 NZ LYS A 7 7.449 -0.494 15.992 1.00 0.00 N ATOM 0 H LYS A 7 1.648 -0.101 12.279 1.00 0.00 H new ATOM 0 HA LYS A 7 2.560 1.040 14.839 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.280 0.659 12.453 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.334 2.225 13.237 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.621 0.948 15.468 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.876 -0.493 14.504 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.573 1.359 13.279 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.688 1.803 14.970 1.00 0.00 H new ATOM 0 HE2 LYS A 7 6.988 -1.078 14.013 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.351 0.014 14.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 8.083 -1.304 16.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.824 0.338 16.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.503 -0.721 16.360 1.00 0.00 H new ATOM 131 N ASP A 8 1.744 3.275 14.089 1.00 0.00 N ATOM 132 CA ASP A 8 0.979 4.468 13.767 1.00 0.00 C ATOM 133 C ASP A 8 1.913 5.680 13.759 1.00 0.00 C ATOM 134 O ASP A 8 2.440 6.070 14.800 1.00 0.00 O ATOM 135 CB ASP A 8 -0.113 4.719 14.809 1.00 0.00 C ATOM 136 CG ASP A 8 -0.585 6.171 14.913 1.00 0.00 C ATOM 137 OD1 ASP A 8 -0.764 6.788 13.840 1.00 0.00 O ATOM 138 OD2 ASP A 8 -0.758 6.631 16.062 1.00 0.00 O ATOM 0 H ASP A 8 2.257 3.322 14.969 1.00 0.00 H new ATOM 0 HA ASP A 8 0.518 4.321 12.790 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -0.971 4.090 14.573 1.00 0.00 H new ATOM 0 HB3 ASP A 8 0.256 4.402 15.784 1.00 0.00 H new ATOM 143 N LYS A 9 2.089 6.243 12.572 1.00 0.00 N ATOM 144 CA LYS A 9 2.949 7.403 12.414 1.00 0.00 C ATOM 145 C LYS A 9 2.088 8.664 12.333 1.00 0.00 C ATOM 146 O LYS A 9 0.961 8.620 11.840 1.00 0.00 O ATOM 147 CB LYS A 9 3.884 7.218 11.217 1.00 0.00 C ATOM 148 CG LYS A 9 4.482 8.556 10.776 1.00 0.00 C ATOM 149 CD LYS A 9 5.875 8.361 10.175 1.00 0.00 C ATOM 150 CE LYS A 9 6.156 9.407 9.094 1.00 0.00 C ATOM 151 NZ LYS A 9 5.914 8.840 7.748 1.00 0.00 N ATOM 0 H LYS A 9 1.650 5.917 11.711 1.00 0.00 H new ATOM 0 HA LYS A 9 3.599 7.516 13.282 1.00 0.00 H new ATOM 0 HB2 LYS A 9 4.685 6.527 11.480 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.336 6.770 10.388 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.828 9.027 10.042 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.541 9.231 11.630 1.00 0.00 H new ATOM 0 HD2 LYS A 9 6.627 8.433 10.960 1.00 0.00 H new ATOM 0 HD3 LYS A 9 5.954 7.361 9.748 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.519 10.278 9.248 1.00 0.00 H new ATOM 0 HE3 LYS A 9 7.188 9.749 9.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 5.859 9.610 7.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.694 8.200 7.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.019 8.311 7.750 1.00 0.00 H new ATOM 165 N LYS A 10 2.650 9.759 12.823 1.00 0.00 N ATOM 166 CA LYS A 10 1.947 11.031 12.811 1.00 0.00 C ATOM 167 C LYS A 10 2.643 11.985 11.838 1.00 0.00 C ATOM 168 O LYS A 10 3.867 11.969 11.715 1.00 0.00 O ATOM 169 CB LYS A 10 1.821 11.586 14.231 1.00 0.00 C ATOM 170 CG LYS A 10 0.559 12.439 14.376 1.00 0.00 C ATOM 171 CD LYS A 10 0.899 13.841 14.884 1.00 0.00 C ATOM 172 CE LYS A 10 0.538 13.991 16.363 1.00 0.00 C ATOM 173 NZ LYS A 10 -0.797 14.613 16.511 1.00 0.00 N ATOM 0 H LYS A 10 3.584 9.792 13.231 1.00 0.00 H new ATOM 0 HA LYS A 10 0.926 10.899 12.453 1.00 0.00 H new ATOM 0 HB2 LYS A 10 1.792 10.763 14.946 1.00 0.00 H new ATOM 0 HB3 LYS A 10 2.699 12.186 14.470 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.052 12.510 13.414 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -0.133 11.956 15.066 1.00 0.00 H new ATOM 0 HD2 LYS A 10 1.963 14.034 14.744 1.00 0.00 H new ATOM 0 HD3 LYS A 10 0.360 14.585 14.297 1.00 0.00 H new ATOM 0 HE2 LYS A 10 0.546 13.014 16.846 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.288 14.601 16.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -1.026 14.707 17.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.793 15.554 16.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.512 14.016 16.048 1.00 0.00 H new ATOM 187 N ASN A 11 1.832 12.793 11.170 1.00 0.00 N ATOM 188 CA ASN A 11 2.355 13.751 10.211 1.00 0.00 C ATOM 189 C ASN A 11 1.464 14.995 10.203 1.00 0.00 C ATOM 190 O ASN A 11 0.503 15.070 9.439 1.00 0.00 O ATOM 191 CB ASN A 11 2.364 13.167 8.797 1.00 0.00 C ATOM 192 CG ASN A 11 2.901 14.184 7.788 1.00 0.00 C ATOM 193 OD1 ASN A 11 2.616 15.368 7.849 1.00 0.00 O ATOM 194 ND2 ASN A 11 3.692 13.656 6.858 1.00 0.00 N ATOM 0 H ASN A 11 0.817 12.804 11.274 1.00 0.00 H new ATOM 0 HA ASN A 11 3.375 13.999 10.504 1.00 0.00 H new ATOM 0 HB2 ASN A 11 2.979 12.268 8.775 1.00 0.00 H new ATOM 0 HB3 ASN A 11 1.354 12.869 8.516 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.101 14.252 6.138 1.00 0.00 H new ATOM 0 HD22 ASN A 11 3.890 12.655 6.865 1.00 0.00 H new ATOM 201 N PRO A 12 1.824 15.966 11.086 1.00 0.00 N ATOM 202 CA PRO A 12 1.068 17.202 11.187 1.00 0.00 C ATOM 203 C PRO A 12 1.362 18.124 10.002 1.00 0.00 C ATOM 204 O PRO A 12 0.625 19.077 9.754 1.00 0.00 O ATOM 205 CB PRO A 12 1.476 17.804 12.522 1.00 0.00 C ATOM 206 CG PRO A 12 2.782 17.126 12.904 1.00 0.00 C ATOM 207 CD PRO A 12 2.955 15.911 12.007 1.00 0.00 C ATOM 0 HA PRO A 12 -0.009 17.040 11.150 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.606 18.883 12.440 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.711 17.631 13.278 1.00 0.00 H new ATOM 0 HG2 PRO A 12 3.619 17.813 12.782 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.765 16.828 13.952 1.00 0.00 H new ATOM 0 HD2 PRO A 12 3.904 15.946 11.471 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.950 14.987 12.586 1.00 0.00 H new ATOM 215 N LEU A 13 2.440 17.807 9.300 1.00 0.00 N ATOM 216 CA LEU A 13 2.840 18.594 8.146 1.00 0.00 C ATOM 217 C LEU A 13 1.766 18.484 7.062 1.00 0.00 C ATOM 218 O LEU A 13 1.124 19.475 6.717 1.00 0.00 O ATOM 219 CB LEU A 13 4.235 18.181 7.674 1.00 0.00 C ATOM 220 CG LEU A 13 5.341 18.221 8.731 1.00 0.00 C ATOM 221 CD1 LEU A 13 6.664 17.707 8.160 1.00 0.00 C ATOM 222 CD2 LEU A 13 5.479 19.624 9.326 1.00 0.00 C ATOM 0 H LEU A 13 3.049 17.016 9.508 1.00 0.00 H new ATOM 0 HA LEU A 13 2.918 19.648 8.412 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.177 17.168 7.276 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.525 18.832 6.849 1.00 0.00 H new ATOM 0 HG LEU A 13 5.061 17.552 9.545 1.00 0.00 H new ATOM 0 HD11 LEU A 13 7.433 17.746 8.932 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.540 16.678 7.823 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.963 18.330 7.318 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.271 19.625 10.074 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.726 20.332 8.535 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.538 19.915 9.793 1.00 0.00 H new ATOM 234 N LEU A 14 1.604 17.271 6.555 1.00 0.00 N ATOM 235 CA LEU A 14 0.619 17.019 5.517 1.00 0.00 C ATOM 236 C LEU A 14 -0.780 17.019 6.137 1.00 0.00 C ATOM 237 O LEU A 14 -1.772 17.224 5.439 1.00 0.00 O ATOM 238 CB LEU A 14 0.956 15.734 4.759 1.00 0.00 C ATOM 239 CG LEU A 14 2.420 15.560 4.350 1.00 0.00 C ATOM 240 CD1 LEU A 14 2.718 14.105 3.983 1.00 0.00 C ATOM 241 CD2 LEU A 14 2.792 16.524 3.221 1.00 0.00 C ATOM 0 H LEU A 14 2.138 16.452 6.844 1.00 0.00 H new ATOM 0 HA LEU A 14 0.638 17.815 4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.669 14.884 5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.341 15.694 3.860 1.00 0.00 H new ATOM 0 HG LEU A 14 3.046 15.810 5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.765 14.009 3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.517 13.465 4.842 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.084 13.803 3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.838 16.380 2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.161 16.329 2.354 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.642 17.551 3.555 1.00 0.00 H new ATOM 253 N ASN A 15 -0.814 16.788 7.441 1.00 0.00 N ATOM 254 CA ASN A 15 -2.075 16.759 8.162 1.00 0.00 C ATOM 255 C ASN A 15 -2.738 15.394 7.967 1.00 0.00 C ATOM 256 O ASN A 15 -3.951 15.310 7.779 1.00 0.00 O ATOM 257 CB ASN A 15 -3.034 17.829 7.639 1.00 0.00 C ATOM 258 CG ASN A 15 -4.022 18.259 8.726 1.00 0.00 C ATOM 259 OD1 ASN A 15 -5.214 18.010 8.652 1.00 0.00 O ATOM 260 ND2 ASN A 15 -3.461 18.917 9.736 1.00 0.00 N ATOM 0 H ASN A 15 0.011 16.619 8.017 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.865 16.947 9.215 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -2.467 18.694 7.295 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.580 17.443 6.778 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -4.036 19.247 10.512 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -2.456 19.092 9.735 1.00 0.00 H new ATOM 267 N ARG A 16 -1.913 14.358 8.017 1.00 0.00 N ATOM 268 CA ARG A 16 -2.405 13.001 7.848 1.00 0.00 C ATOM 269 C ARG A 16 -1.817 12.086 8.924 1.00 0.00 C ATOM 270 O ARG A 16 -1.243 12.561 9.903 1.00 0.00 O ATOM 271 CB ARG A 16 -2.041 12.452 6.467 1.00 0.00 C ATOM 272 CG ARG A 16 -0.572 12.028 6.415 1.00 0.00 C ATOM 273 CD ARG A 16 -0.150 11.687 4.984 1.00 0.00 C ATOM 274 NE ARG A 16 1.288 11.341 4.949 1.00 0.00 N ATOM 275 CZ ARG A 16 2.009 11.238 3.825 1.00 0.00 C ATOM 276 NH1 ARG A 16 1.431 11.455 2.636 1.00 0.00 N ATOM 277 NH2 ARG A 16 3.309 10.919 3.889 1.00 0.00 N ATOM 0 H ARG A 16 -0.908 14.431 8.172 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.491 13.027 7.942 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.678 11.599 6.231 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -2.231 13.211 5.708 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.056 12.831 6.802 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.416 11.163 7.060 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -0.743 10.852 4.611 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -0.345 12.535 4.327 1.00 0.00 H new ATOM 0 HE ARG A 16 1.760 11.170 5.837 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.442 11.699 2.587 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.980 11.377 1.780 1.00 0.00 H new ATOM 0 HH21 ARG A 16 3.750 10.754 4.794 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.858 10.841 3.033 1.00 0.00 H new ATOM 291 N ARG A 17 -1.980 10.789 8.706 1.00 0.00 N ATOM 292 CA ARG A 17 -1.473 9.803 9.645 1.00 0.00 C ATOM 293 C ARG A 17 -1.208 8.476 8.930 1.00 0.00 C ATOM 294 O ARG A 17 -2.127 7.867 8.385 1.00 0.00 O ATOM 295 CB ARG A 17 -2.463 9.569 10.788 1.00 0.00 C ATOM 296 CG ARG A 17 -1.765 9.660 12.146 1.00 0.00 C ATOM 297 CD ARG A 17 -2.771 9.956 13.261 1.00 0.00 C ATOM 298 NE ARG A 17 -2.999 8.740 14.072 1.00 0.00 N ATOM 299 CZ ARG A 17 -3.484 8.751 15.322 1.00 0.00 C ATOM 300 NH1 ARG A 17 -3.794 9.914 15.910 1.00 0.00 N ATOM 301 NH2 ARG A 17 -3.658 7.598 15.982 1.00 0.00 N ATOM 0 H ARG A 17 -2.456 10.398 7.893 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.542 10.189 10.060 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -3.264 10.307 10.737 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.926 8.588 10.678 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.248 8.724 12.357 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -1.007 10.443 12.118 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -2.398 10.761 13.894 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -3.712 10.298 12.831 1.00 0.00 H new ATOM 0 HE ARG A 17 -2.773 7.837 13.654 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -3.661 10.791 15.407 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.163 9.922 16.861 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.422 6.713 15.534 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.027 7.605 16.933 1.00 0.00 H new ATOM 315 N GLU A 18 0.052 8.068 8.956 1.00 0.00 N ATOM 316 CA GLU A 18 0.450 6.825 8.317 1.00 0.00 C ATOM 317 C GLU A 18 0.353 5.664 9.309 1.00 0.00 C ATOM 318 O GLU A 18 1.191 5.534 10.200 1.00 0.00 O ATOM 319 CB GLU A 18 1.861 6.934 7.735 1.00 0.00 C ATOM 320 CG GLU A 18 2.012 8.206 6.899 1.00 0.00 C ATOM 321 CD GLU A 18 1.880 7.900 5.406 1.00 0.00 C ATOM 322 OE1 GLU A 18 1.082 6.994 5.081 1.00 0.00 O ATOM 323 OE2 GLU A 18 2.580 8.578 4.623 1.00 0.00 O ATOM 0 H GLU A 18 0.811 8.576 9.410 1.00 0.00 H new ATOM 0 HA GLU A 18 -0.233 6.629 7.490 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.592 6.937 8.543 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.072 6.061 7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.253 8.931 7.194 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.982 8.662 7.096 1.00 0.00 H new ATOM 330 N LEU A 19 -0.675 4.850 9.120 1.00 0.00 N ATOM 331 CA LEU A 19 -0.891 3.704 9.987 1.00 0.00 C ATOM 332 C LEU A 19 -0.643 2.418 9.196 1.00 0.00 C ATOM 333 O LEU A 19 -1.102 2.284 8.063 1.00 0.00 O ATOM 334 CB LEU A 19 -2.277 3.773 10.630 1.00 0.00 C ATOM 335 CG LEU A 19 -2.718 5.151 11.129 1.00 0.00 C ATOM 336 CD1 LEU A 19 -3.951 5.641 10.368 1.00 0.00 C ATOM 337 CD2 LEU A 19 -2.944 5.140 12.642 1.00 0.00 C ATOM 0 H LEU A 19 -1.367 4.961 8.379 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.181 3.712 10.814 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.010 3.420 9.905 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.300 3.080 11.471 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.914 5.860 10.929 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.243 6.622 10.742 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.718 5.712 9.306 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.771 4.938 10.513 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.257 6.131 12.970 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.719 4.415 12.889 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.017 4.866 13.146 1.00 0.00 H new ATOM 349 N ASP A 20 0.082 1.505 9.826 1.00 0.00 N ATOM 350 CA ASP A 20 0.396 0.234 9.195 1.00 0.00 C ATOM 351 C ASP A 20 -0.279 -0.897 9.973 1.00 0.00 C ATOM 352 O ASP A 20 -0.283 -0.892 11.203 1.00 0.00 O ATOM 353 CB ASP A 20 1.904 -0.024 9.198 1.00 0.00 C ATOM 354 CG ASP A 20 2.751 1.083 8.566 1.00 0.00 C ATOM 355 OD1 ASP A 20 2.137 2.038 8.043 1.00 0.00 O ATOM 356 OD2 ASP A 20 3.992 0.948 8.620 1.00 0.00 O ATOM 0 H ASP A 20 0.461 1.620 10.766 1.00 0.00 H new ATOM 0 HA ASP A 20 0.038 0.270 8.166 1.00 0.00 H new ATOM 0 HB2 ASP A 20 2.231 -0.168 10.228 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.099 -0.957 8.669 1.00 0.00 H new ATOM 361 N PHE A 21 -0.832 -1.840 9.225 1.00 0.00 N ATOM 362 CA PHE A 21 -1.508 -2.975 9.829 1.00 0.00 C ATOM 363 C PHE A 21 -1.471 -4.192 8.903 1.00 0.00 C ATOM 364 O PHE A 21 -1.187 -4.063 7.713 1.00 0.00 O ATOM 365 CB PHE A 21 -2.964 -2.562 10.051 1.00 0.00 C ATOM 366 CG PHE A 21 -3.714 -2.209 8.765 1.00 0.00 C ATOM 367 CD1 PHE A 21 -3.674 -0.938 8.282 1.00 0.00 C ATOM 368 CD2 PHE A 21 -4.420 -3.165 8.105 1.00 0.00 C ATOM 369 CE1 PHE A 21 -4.369 -0.610 7.088 1.00 0.00 C ATOM 370 CE2 PHE A 21 -5.116 -2.837 6.911 1.00 0.00 C ATOM 371 CZ PHE A 21 -5.076 -1.566 6.428 1.00 0.00 C ATOM 0 H PHE A 21 -0.826 -1.841 8.205 1.00 0.00 H new ATOM 0 HA PHE A 21 -1.015 -3.248 10.762 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.489 -3.374 10.554 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -2.989 -1.703 10.721 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.114 -0.178 8.807 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -4.452 -4.174 8.489 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -4.336 0.399 6.704 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -5.677 -3.597 6.387 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.606 -1.316 5.521 1.00 0.00 H new ATOM 381 N ILE A 22 -1.762 -5.347 9.483 1.00 0.00 N ATOM 382 CA ILE A 22 -1.766 -6.586 8.725 1.00 0.00 C ATOM 383 C ILE A 22 -3.180 -7.168 8.714 1.00 0.00 C ATOM 384 O ILE A 22 -3.837 -7.233 9.752 1.00 0.00 O ATOM 385 CB ILE A 22 -0.708 -7.549 9.267 1.00 0.00 C ATOM 386 CG1 ILE A 22 0.655 -6.863 9.375 1.00 0.00 C ATOM 387 CG2 ILE A 22 -0.643 -8.824 8.423 1.00 0.00 C ATOM 388 CD1 ILE A 22 1.305 -6.715 7.998 1.00 0.00 C ATOM 0 H ILE A 22 -1.997 -5.451 10.470 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.491 -6.398 7.687 1.00 0.00 H new ATOM 0 HB ILE A 22 -1.000 -7.844 10.275 1.00 0.00 H new ATOM 0 HG12 ILE A 22 0.537 -5.881 9.833 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.307 -7.443 10.028 1.00 0.00 H new ATOM 0 HG21 ILE A 22 0.117 -9.491 8.830 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.612 -9.323 8.442 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.388 -8.567 7.395 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.273 -6.224 8.103 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.444 -7.700 7.554 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.662 -6.115 7.355 1.00 0.00 H new ATOM 400 N VAL A 23 -3.609 -7.578 7.529 1.00 0.00 N ATOM 401 CA VAL A 23 -4.933 -8.153 7.369 1.00 0.00 C ATOM 402 C VAL A 23 -4.811 -9.670 7.218 1.00 0.00 C ATOM 403 O VAL A 23 -4.122 -10.155 6.322 1.00 0.00 O ATOM 404 CB VAL A 23 -5.653 -7.490 6.193 1.00 0.00 C ATOM 405 CG1 VAL A 23 -7.150 -7.804 6.219 1.00 0.00 C ATOM 406 CG2 VAL A 23 -5.410 -5.980 6.181 1.00 0.00 C ATOM 0 H VAL A 23 -3.062 -7.523 6.670 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.541 -7.963 8.253 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.240 -7.903 5.273 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -7.638 -7.321 5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -7.297 -8.882 6.155 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -7.583 -7.433 7.148 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.933 -5.534 5.335 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.782 -5.544 7.108 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.342 -5.784 6.091 1.00 0.00 H new ATOM 416 N LYS A 24 -5.492 -10.378 8.108 1.00 0.00 N ATOM 417 CA LYS A 24 -5.468 -11.831 8.084 1.00 0.00 C ATOM 418 C LYS A 24 -6.900 -12.358 7.972 1.00 0.00 C ATOM 419 O LYS A 24 -7.831 -11.755 8.504 1.00 0.00 O ATOM 420 CB LYS A 24 -4.705 -12.374 9.294 1.00 0.00 C ATOM 421 CG LYS A 24 -3.221 -12.557 8.970 1.00 0.00 C ATOM 422 CD LYS A 24 -2.407 -12.791 10.243 1.00 0.00 C ATOM 423 CE LYS A 24 -1.024 -13.358 9.914 1.00 0.00 C ATOM 424 NZ LYS A 24 -0.931 -14.774 10.332 1.00 0.00 N ATOM 0 H LYS A 24 -6.063 -9.973 8.850 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.927 -12.189 7.208 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.815 -11.689 10.135 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.134 -13.328 9.601 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.094 -13.402 8.293 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.847 -11.674 8.452 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -2.299 -11.853 10.787 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.940 -13.480 10.898 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -0.836 -13.276 8.843 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -0.255 -12.773 10.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 0.014 -15.143 10.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.089 -14.844 11.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.652 -15.332 9.831 1.00 0.00 H new ATOM 438 N TYR A 25 -7.031 -13.478 7.277 1.00 0.00 N ATOM 439 CA TYR A 25 -8.334 -14.094 7.089 1.00 0.00 C ATOM 440 C TYR A 25 -8.193 -15.545 6.626 1.00 0.00 C ATOM 441 O TYR A 25 -7.099 -15.987 6.281 1.00 0.00 O ATOM 442 CB TYR A 25 -9.028 -13.285 5.991 1.00 0.00 C ATOM 443 CG TYR A 25 -8.150 -13.020 4.766 1.00 0.00 C ATOM 444 CD1 TYR A 25 -7.192 -12.027 4.805 1.00 0.00 C ATOM 445 CD2 TYR A 25 -8.317 -13.773 3.621 1.00 0.00 C ATOM 446 CE1 TYR A 25 -6.367 -11.777 3.652 1.00 0.00 C ATOM 447 CE2 TYR A 25 -7.491 -13.523 2.468 1.00 0.00 C ATOM 448 CZ TYR A 25 -6.557 -12.538 2.541 1.00 0.00 C ATOM 449 OH TYR A 25 -5.777 -12.302 1.452 1.00 0.00 O ATOM 0 H TYR A 25 -6.257 -13.975 6.837 1.00 0.00 H new ATOM 0 HA TYR A 25 -8.895 -14.098 8.023 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.925 -13.816 5.674 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.352 -12.331 6.406 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -7.061 -11.438 5.701 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -9.067 -14.549 3.590 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.614 -11.003 3.669 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -7.611 -14.105 1.566 1.00 0.00 H new ATOM 0 HH TYR A 25 -5.550 -11.349 1.412 1.00 0.00 H new ATOM 459 N GLU A 26 -9.317 -16.247 6.634 1.00 0.00 N ATOM 460 CA GLU A 26 -9.333 -17.639 6.219 1.00 0.00 C ATOM 461 C GLU A 26 -10.360 -17.850 5.105 1.00 0.00 C ATOM 462 O GLU A 26 -11.439 -18.391 5.345 1.00 0.00 O ATOM 463 CB GLU A 26 -9.614 -18.562 7.407 1.00 0.00 C ATOM 464 CG GLU A 26 -8.312 -19.014 8.070 1.00 0.00 C ATOM 465 CD GLU A 26 -8.526 -20.292 8.884 1.00 0.00 C ATOM 466 OE1 GLU A 26 -8.584 -21.367 8.248 1.00 0.00 O ATOM 467 OE2 GLU A 26 -8.626 -20.166 10.123 1.00 0.00 O ATOM 0 H GLU A 26 -10.223 -15.877 6.921 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.347 -17.893 5.829 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -10.236 -18.043 8.136 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.176 -19.433 7.070 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.553 -19.187 7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.937 -18.223 8.720 1.00 0.00 H new ATOM 474 N GLY A 27 -9.990 -17.412 3.911 1.00 0.00 N ATOM 475 CA GLY A 27 -10.866 -17.545 2.760 1.00 0.00 C ATOM 476 C GLY A 27 -10.679 -16.377 1.790 1.00 0.00 C ATOM 477 O GLY A 27 -9.560 -15.908 1.587 1.00 0.00 O ATOM 0 H GLY A 27 -9.095 -16.964 3.716 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.659 -18.484 2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.904 -17.585 3.091 1.00 0.00 H new ATOM 481 N SER A 28 -11.791 -15.941 1.217 1.00 0.00 N ATOM 482 CA SER A 28 -11.764 -14.837 0.273 1.00 0.00 C ATOM 483 C SER A 28 -10.992 -13.658 0.869 1.00 0.00 C ATOM 484 O SER A 28 -10.834 -13.566 2.086 1.00 0.00 O ATOM 485 CB SER A 28 -13.181 -14.404 -0.110 1.00 0.00 C ATOM 486 OG SER A 28 -13.728 -15.221 -1.142 1.00 0.00 O ATOM 0 H SER A 28 -12.717 -16.333 1.388 1.00 0.00 H new ATOM 0 HA SER A 28 -11.259 -15.174 -0.632 1.00 0.00 H new ATOM 0 HB2 SER A 28 -13.824 -14.451 0.769 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.166 -13.365 -0.439 1.00 0.00 H new ATOM 0 HG SER A 28 -14.633 -14.914 -1.357 1.00 0.00 H new ATOM 492 N THR A 29 -10.531 -12.786 -0.015 1.00 0.00 N ATOM 493 CA THR A 29 -9.780 -11.617 0.409 1.00 0.00 C ATOM 494 C THR A 29 -10.729 -10.463 0.738 1.00 0.00 C ATOM 495 O THR A 29 -11.765 -10.303 0.094 1.00 0.00 O ATOM 496 CB THR A 29 -8.771 -11.279 -0.691 1.00 0.00 C ATOM 497 OG1 THR A 29 -7.726 -12.230 -0.508 1.00 0.00 O ATOM 498 CG2 THR A 29 -8.089 -9.928 -0.465 1.00 0.00 C ATOM 0 H THR A 29 -10.663 -12.866 -1.023 1.00 0.00 H new ATOM 0 HA THR A 29 -9.228 -11.814 1.328 1.00 0.00 H new ATOM 0 HB THR A 29 -9.276 -11.274 -1.657 1.00 0.00 H new ATOM 0 HG1 THR A 29 -7.274 -12.060 0.345 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.383 -9.737 -1.273 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.841 -9.139 -0.446 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.556 -9.944 0.486 1.00 0.00 H new ATOM 506 N PRO A 30 -10.332 -9.667 1.767 1.00 0.00 N ATOM 507 CA PRO A 30 -11.135 -8.533 2.189 1.00 0.00 C ATOM 508 C PRO A 30 -11.010 -7.373 1.199 1.00 0.00 C ATOM 509 O PRO A 30 -9.980 -7.218 0.546 1.00 0.00 O ATOM 510 CB PRO A 30 -10.625 -8.185 3.578 1.00 0.00 C ATOM 511 CG PRO A 30 -9.255 -8.833 3.693 1.00 0.00 C ATOM 512 CD PRO A 30 -9.111 -9.826 2.552 1.00 0.00 C ATOM 0 HA PRO A 30 -12.201 -8.759 2.215 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -10.559 -7.105 3.711 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.300 -8.560 4.347 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -8.470 -8.078 3.643 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -9.151 -9.338 4.653 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -8.225 -9.616 1.953 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -9.009 -10.845 2.924 1.00 0.00 H new ATOM 520 N SER A 31 -12.075 -6.589 1.119 1.00 0.00 N ATOM 521 CA SER A 31 -12.097 -5.448 0.220 1.00 0.00 C ATOM 522 C SER A 31 -11.495 -4.224 0.912 1.00 0.00 C ATOM 523 O SER A 31 -11.478 -4.146 2.139 1.00 0.00 O ATOM 524 CB SER A 31 -13.522 -5.145 -0.250 1.00 0.00 C ATOM 525 OG SER A 31 -14.184 -6.310 -0.734 1.00 0.00 O ATOM 0 H SER A 31 -12.928 -6.721 1.662 1.00 0.00 H new ATOM 0 HA SER A 31 -11.498 -5.692 -0.657 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.093 -4.720 0.575 1.00 0.00 H new ATOM 0 HB3 SER A 31 -13.492 -4.392 -1.037 1.00 0.00 H new ATOM 0 HG SER A 31 -15.091 -6.075 -1.023 1.00 0.00 H new ATOM 531 N ARG A 32 -11.015 -3.297 0.094 1.00 0.00 N ATOM 532 CA ARG A 32 -10.413 -2.081 0.613 1.00 0.00 C ATOM 533 C ARG A 32 -11.415 -1.324 1.487 1.00 0.00 C ATOM 534 O ARG A 32 -11.029 -0.661 2.448 1.00 0.00 O ATOM 535 CB ARG A 32 -9.948 -1.169 -0.524 1.00 0.00 C ATOM 536 CG ARG A 32 -8.512 -1.498 -0.938 1.00 0.00 C ATOM 537 CD ARG A 32 -8.418 -1.740 -2.446 1.00 0.00 C ATOM 538 NE ARG A 32 -7.003 -1.704 -2.877 1.00 0.00 N ATOM 539 CZ ARG A 32 -6.602 -1.821 -4.150 1.00 0.00 C ATOM 540 NH1 ARG A 32 -7.507 -1.983 -5.125 1.00 0.00 N ATOM 541 NH2 ARG A 32 -5.296 -1.777 -4.448 1.00 0.00 N ATOM 0 H ARG A 32 -11.031 -3.364 -0.924 1.00 0.00 H new ATOM 0 HA ARG A 32 -9.548 -2.368 1.211 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -10.612 -1.282 -1.381 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.010 -0.128 -0.208 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.851 -0.678 -0.656 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.169 -2.383 -0.402 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -8.858 -2.705 -2.696 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -8.989 -0.981 -2.981 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.288 -1.582 -2.160 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.501 -2.017 -4.898 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.202 -2.072 -6.094 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -4.607 -1.654 -3.706 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -4.991 -1.866 -5.417 1.00 0.00 H new ATOM 555 N ASN A 33 -12.683 -1.448 1.121 1.00 0.00 N ATOM 556 CA ASN A 33 -13.743 -0.783 1.860 1.00 0.00 C ATOM 557 C ASN A 33 -13.984 -1.525 3.176 1.00 0.00 C ATOM 558 O ASN A 33 -14.420 -0.928 4.159 1.00 0.00 O ATOM 559 CB ASN A 33 -15.052 -0.787 1.069 1.00 0.00 C ATOM 560 CG ASN A 33 -15.371 -2.189 0.543 1.00 0.00 C ATOM 561 OD1 ASN A 33 -15.153 -2.510 -0.614 1.00 0.00 O ATOM 562 ND2 ASN A 33 -15.897 -3.002 1.454 1.00 0.00 N ATOM 0 H ASN A 33 -13.000 -1.999 0.323 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.434 0.247 2.040 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.866 -0.439 1.705 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.979 -0.090 0.235 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.144 -3.959 1.202 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -16.053 -2.669 2.405 1.00 0.00 H new ATOM 569 N ASP A 34 -13.690 -2.817 3.153 1.00 0.00 N ATOM 570 CA ASP A 34 -13.869 -3.647 4.332 1.00 0.00 C ATOM 571 C ASP A 34 -12.799 -3.293 5.367 1.00 0.00 C ATOM 572 O ASP A 34 -13.118 -2.991 6.516 1.00 0.00 O ATOM 573 CB ASP A 34 -13.722 -5.131 3.989 1.00 0.00 C ATOM 574 CG ASP A 34 -15.040 -5.895 3.848 1.00 0.00 C ATOM 575 OD1 ASP A 34 -16.095 -5.230 3.939 1.00 0.00 O ATOM 576 OD2 ASP A 34 -14.963 -7.127 3.651 1.00 0.00 O ATOM 0 H ASP A 34 -13.329 -3.309 2.336 1.00 0.00 H new ATOM 0 HA ASP A 34 -14.870 -3.465 4.723 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.166 -5.219 3.055 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.123 -5.610 4.763 1.00 0.00 H new ATOM 581 N VAL A 35 -11.552 -3.342 4.922 1.00 0.00 N ATOM 582 CA VAL A 35 -10.433 -3.031 5.796 1.00 0.00 C ATOM 583 C VAL A 35 -10.577 -1.596 6.309 1.00 0.00 C ATOM 584 O VAL A 35 -10.304 -1.321 7.476 1.00 0.00 O ATOM 585 CB VAL A 35 -9.113 -3.274 5.062 1.00 0.00 C ATOM 586 CG1 VAL A 35 -7.924 -2.801 5.901 1.00 0.00 C ATOM 587 CG2 VAL A 35 -8.963 -4.747 4.678 1.00 0.00 C ATOM 0 H VAL A 35 -11.292 -3.592 3.968 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.432 -3.689 6.665 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.127 -2.688 4.143 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.998 -2.985 5.356 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.021 -1.734 6.101 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.905 -3.346 6.844 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.016 -4.893 4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.980 -5.361 5.578 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.785 -5.038 4.024 1.00 0.00 H new ATOM 597 N ARG A 36 -11.005 -0.721 5.411 1.00 0.00 N ATOM 598 CA ARG A 36 -11.188 0.678 5.759 1.00 0.00 C ATOM 599 C ARG A 36 -12.199 0.814 6.899 1.00 0.00 C ATOM 600 O ARG A 36 -11.934 1.491 7.891 1.00 0.00 O ATOM 601 CB ARG A 36 -11.676 1.486 4.554 1.00 0.00 C ATOM 602 CG ARG A 36 -10.571 2.400 4.023 1.00 0.00 C ATOM 603 CD ARG A 36 -11.160 3.670 3.404 1.00 0.00 C ATOM 604 NE ARG A 36 -10.476 3.974 2.127 1.00 0.00 N ATOM 605 CZ ARG A 36 -10.969 4.793 1.188 1.00 0.00 C ATOM 606 NH1 ARG A 36 -12.151 5.395 1.377 1.00 0.00 N ATOM 607 NH2 ARG A 36 -10.279 5.011 0.060 1.00 0.00 N ATOM 0 H ARG A 36 -11.230 -0.953 4.444 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.222 1.069 6.078 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -12.002 0.808 3.765 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -12.542 2.084 4.839 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.894 2.667 4.834 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.981 1.868 3.277 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.228 3.539 3.232 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.049 4.506 4.094 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.573 3.533 1.951 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.676 5.230 2.236 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.526 6.018 0.662 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.379 4.554 -0.084 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.654 5.634 -0.655 1.00 0.00 H new ATOM 621 N ASN A 37 -13.337 0.160 6.719 1.00 0.00 N ATOM 622 CA ASN A 37 -14.390 0.199 7.720 1.00 0.00 C ATOM 623 C ASN A 37 -13.876 -0.428 9.018 1.00 0.00 C ATOM 624 O ASN A 37 -14.234 0.014 10.109 1.00 0.00 O ATOM 625 CB ASN A 37 -15.615 -0.595 7.263 1.00 0.00 C ATOM 626 CG ASN A 37 -16.713 0.337 6.751 1.00 0.00 C ATOM 627 OD1 ASN A 37 -17.109 1.290 7.402 1.00 0.00 O ATOM 628 ND2 ASN A 37 -17.183 0.012 5.550 1.00 0.00 N ATOM 0 H ASN A 37 -13.553 -0.400 5.895 1.00 0.00 H new ATOM 0 HA ASN A 37 -14.673 1.241 7.872 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -15.328 -1.292 6.475 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -15.996 -1.191 8.092 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -17.919 0.574 5.121 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.808 -0.799 5.058 1.00 0.00 H new ATOM 635 N LYS A 38 -13.046 -1.447 8.857 1.00 0.00 N ATOM 636 CA LYS A 38 -12.480 -2.139 10.002 1.00 0.00 C ATOM 637 C LYS A 38 -11.561 -1.184 10.767 1.00 0.00 C ATOM 638 O LYS A 38 -11.694 -1.028 11.980 1.00 0.00 O ATOM 639 CB LYS A 38 -11.791 -3.432 9.561 1.00 0.00 C ATOM 640 CG LYS A 38 -11.743 -4.447 10.705 1.00 0.00 C ATOM 641 CD LYS A 38 -12.163 -5.837 10.224 1.00 0.00 C ATOM 642 CE LYS A 38 -12.708 -6.677 11.381 1.00 0.00 C ATOM 643 NZ LYS A 38 -14.183 -6.769 11.304 1.00 0.00 N ATOM 0 H LYS A 38 -12.752 -1.810 7.951 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.269 -2.444 10.690 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.324 -3.861 8.712 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.778 -3.211 9.223 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.734 -4.490 11.115 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -12.401 -4.123 11.511 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.923 -5.743 9.449 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.309 -6.343 9.773 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.273 -7.676 11.349 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.415 -6.232 12.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -14.537 -7.342 12.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.594 -5.815 11.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.457 -7.215 10.405 1.00 0.00 H new ATOM 657 N LEU A 39 -10.650 -0.570 10.027 1.00 0.00 N ATOM 658 CA LEU A 39 -9.710 0.366 10.620 1.00 0.00 C ATOM 659 C LEU A 39 -10.478 1.559 11.192 1.00 0.00 C ATOM 660 O LEU A 39 -10.319 1.900 12.363 1.00 0.00 O ATOM 661 CB LEU A 39 -8.631 0.756 9.608 1.00 0.00 C ATOM 662 CG LEU A 39 -7.183 0.572 10.066 1.00 0.00 C ATOM 663 CD1 LEU A 39 -6.588 -0.717 9.495 1.00 0.00 C ATOM 664 CD2 LEU A 39 -6.337 1.798 9.716 1.00 0.00 C ATOM 0 H LEU A 39 -10.543 -0.702 9.021 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.180 -0.100 11.451 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.782 0.169 8.702 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.775 1.802 9.338 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.177 0.477 11.152 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.558 -0.824 9.835 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.174 -1.571 9.836 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.608 -0.676 8.406 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.312 1.641 10.053 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.345 1.950 8.637 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.750 2.678 10.209 1.00 0.00 H new ATOM 676 N ALA A 40 -11.293 2.162 10.339 1.00 0.00 N ATOM 677 CA ALA A 40 -12.085 3.310 10.745 1.00 0.00 C ATOM 678 C ALA A 40 -12.798 2.993 12.061 1.00 0.00 C ATOM 679 O ALA A 40 -12.928 3.858 12.925 1.00 0.00 O ATOM 680 CB ALA A 40 -13.062 3.677 9.626 1.00 0.00 C ATOM 0 H ALA A 40 -11.422 1.877 9.368 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.446 4.176 10.917 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.657 4.538 9.930 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.504 3.922 8.722 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -13.722 2.832 9.428 1.00 0.00 H new ATOM 686 N ALA A 41 -13.242 1.749 12.172 1.00 0.00 N ATOM 687 CA ALA A 41 -13.938 1.307 13.368 1.00 0.00 C ATOM 688 C ALA A 41 -12.927 1.116 14.500 1.00 0.00 C ATOM 689 O ALA A 41 -13.217 1.424 15.655 1.00 0.00 O ATOM 690 CB ALA A 41 -14.718 0.027 13.061 1.00 0.00 C ATOM 0 H ALA A 41 -13.133 1.034 11.453 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.658 2.058 13.693 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -15.240 -0.305 13.958 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.443 0.223 12.271 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -14.027 -0.751 12.735 1.00 0.00 H new ATOM 696 N MET A 42 -11.760 0.609 14.130 1.00 0.00 N ATOM 697 CA MET A 42 -10.705 0.373 15.100 1.00 0.00 C ATOM 698 C MET A 42 -10.162 1.693 15.651 1.00 0.00 C ATOM 699 O MET A 42 -10.007 1.848 16.862 1.00 0.00 O ATOM 700 CB MET A 42 -9.569 -0.410 14.439 1.00 0.00 C ATOM 701 CG MET A 42 -9.901 -1.902 14.366 1.00 0.00 C ATOM 702 SD MET A 42 -8.786 -2.721 13.238 1.00 0.00 S ATOM 703 CE MET A 42 -7.286 -2.685 14.205 1.00 0.00 C ATOM 0 H MET A 42 -11.522 0.355 13.171 1.00 0.00 H new ATOM 0 HA MET A 42 -11.120 -0.202 15.928 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.392 -0.024 13.435 1.00 0.00 H new ATOM 0 HB3 MET A 42 -8.647 -0.266 15.003 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.822 -2.349 15.357 1.00 0.00 H new ATOM 0 HG3 MET A 42 -10.931 -2.038 14.035 1.00 0.00 H new ATOM 0 HE1 MET A 42 -6.747 -3.623 14.075 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.659 -1.857 13.873 1.00 0.00 H new ATOM 0 HE3 MET A 42 -7.535 -2.552 15.258 1.00 0.00 H new ATOM 713 N LEU A 43 -9.887 2.611 14.736 1.00 0.00 N ATOM 714 CA LEU A 43 -9.365 3.913 15.116 1.00 0.00 C ATOM 715 C LEU A 43 -10.531 4.872 15.366 1.00 0.00 C ATOM 716 O LEU A 43 -10.323 6.068 15.564 1.00 0.00 O ATOM 717 CB LEU A 43 -8.368 4.416 14.069 1.00 0.00 C ATOM 718 CG LEU A 43 -7.706 3.342 13.203 1.00 0.00 C ATOM 719 CD1 LEU A 43 -6.505 3.912 12.447 1.00 0.00 C ATOM 720 CD2 LEU A 43 -7.329 2.118 14.040 1.00 0.00 C ATOM 0 H LEU A 43 -10.016 2.479 13.733 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.805 3.842 16.048 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.883 5.117 13.413 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.585 4.975 14.581 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.428 3.011 12.457 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.052 3.129 11.839 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.834 4.727 11.802 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.771 4.287 13.160 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.860 1.370 13.400 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.631 2.414 14.823 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -8.226 1.697 14.493 1.00 0.00 H new ATOM 732 N ASN A 44 -11.731 4.311 15.348 1.00 0.00 N ATOM 733 CA ASN A 44 -12.930 5.102 15.570 1.00 0.00 C ATOM 734 C ASN A 44 -12.811 6.425 14.810 1.00 0.00 C ATOM 735 O ASN A 44 -13.226 7.470 15.308 1.00 0.00 O ATOM 736 CB ASN A 44 -13.109 5.424 17.055 1.00 0.00 C ATOM 737 CG ASN A 44 -11.775 5.806 17.699 1.00 0.00 C ATOM 738 OD1 ASN A 44 -11.429 6.969 17.828 1.00 0.00 O ATOM 739 ND2 ASN A 44 -11.047 4.765 18.094 1.00 0.00 N ATOM 0 H ASN A 44 -11.899 3.319 15.183 1.00 0.00 H new ATOM 0 HA ASN A 44 -13.785 4.524 15.220 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -13.820 6.242 17.170 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -13.531 4.561 17.569 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.140 4.915 18.535 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.396 3.817 17.956 1.00 0.00 H new ATOM 746 N ALA A 45 -12.243 6.336 13.617 1.00 0.00 N ATOM 747 CA ALA A 45 -12.064 7.513 12.784 1.00 0.00 C ATOM 748 C ALA A 45 -12.992 7.419 11.571 1.00 0.00 C ATOM 749 O ALA A 45 -13.545 6.357 11.288 1.00 0.00 O ATOM 750 CB ALA A 45 -10.593 7.637 12.384 1.00 0.00 C ATOM 0 H ALA A 45 -11.901 5.467 13.207 1.00 0.00 H new ATOM 0 HA ALA A 45 -12.329 8.416 13.334 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.459 8.520 11.759 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.979 7.730 13.280 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.291 6.750 11.828 1.00 0.00 H new ATOM 756 N PRO A 46 -13.138 8.574 10.868 1.00 0.00 N ATOM 757 CA PRO A 46 -13.989 8.632 9.692 1.00 0.00 C ATOM 758 C PRO A 46 -13.321 7.949 8.497 1.00 0.00 C ATOM 759 O PRO A 46 -12.100 7.996 8.353 1.00 0.00 O ATOM 760 CB PRO A 46 -14.244 10.113 9.463 1.00 0.00 C ATOM 761 CG PRO A 46 -13.156 10.847 10.232 1.00 0.00 C ATOM 762 CD PRO A 46 -12.499 9.851 11.173 1.00 0.00 C ATOM 0 HA PRO A 46 -14.928 8.096 9.826 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.204 10.357 8.401 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -15.234 10.398 9.819 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -12.420 11.267 9.546 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.580 11.680 10.793 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -11.422 9.804 11.010 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.652 10.131 12.215 1.00 0.00 H new ATOM 770 N LEU A 47 -14.151 7.330 7.670 1.00 0.00 N ATOM 771 CA LEU A 47 -13.656 6.638 6.492 1.00 0.00 C ATOM 772 C LEU A 47 -13.183 7.666 5.463 1.00 0.00 C ATOM 773 O LEU A 47 -12.085 7.547 4.920 1.00 0.00 O ATOM 774 CB LEU A 47 -14.713 5.671 5.955 1.00 0.00 C ATOM 775 CG LEU A 47 -14.203 4.299 5.510 1.00 0.00 C ATOM 776 CD1 LEU A 47 -14.604 3.214 6.510 1.00 0.00 C ATOM 777 CD2 LEU A 47 -14.673 3.973 4.091 1.00 0.00 C ATOM 0 H LEU A 47 -15.163 7.293 7.792 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.794 6.022 6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.467 5.523 6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.212 6.143 5.109 1.00 0.00 H new ATOM 0 HG LEU A 47 -13.114 4.330 5.489 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.229 2.249 6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -14.179 3.444 7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -15.691 3.174 6.587 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -14.297 2.993 3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.763 3.967 4.061 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.295 4.727 3.400 1.00 0.00 H new ATOM 789 N GLU A 48 -14.034 8.654 5.226 1.00 0.00 N ATOM 790 CA GLU A 48 -13.717 9.702 4.271 1.00 0.00 C ATOM 791 C GLU A 48 -12.293 10.213 4.498 1.00 0.00 C ATOM 792 O GLU A 48 -11.582 10.526 3.544 1.00 0.00 O ATOM 793 CB GLU A 48 -14.730 10.846 4.356 1.00 0.00 C ATOM 794 CG GLU A 48 -14.809 11.403 5.779 1.00 0.00 C ATOM 795 CD GLU A 48 -16.118 12.165 5.997 1.00 0.00 C ATOM 796 OE1 GLU A 48 -16.622 12.725 4.999 1.00 0.00 O ATOM 797 OE2 GLU A 48 -16.585 12.171 7.156 1.00 0.00 O ATOM 0 H GLU A 48 -14.943 8.751 5.679 1.00 0.00 H new ATOM 0 HA GLU A 48 -13.776 9.282 3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -14.446 11.640 3.666 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.713 10.490 4.046 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -14.735 10.587 6.498 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.963 12.066 5.961 1.00 0.00 H new ATOM 804 N LEU A 49 -11.918 10.282 5.767 1.00 0.00 N ATOM 805 CA LEU A 49 -10.591 10.750 6.131 1.00 0.00 C ATOM 806 C LEU A 49 -9.598 9.592 6.020 1.00 0.00 C ATOM 807 O LEU A 49 -8.411 9.808 5.783 1.00 0.00 O ATOM 808 CB LEU A 49 -10.616 11.409 7.512 1.00 0.00 C ATOM 809 CG LEU A 49 -11.576 12.589 7.676 1.00 0.00 C ATOM 810 CD1 LEU A 49 -11.341 13.305 9.007 1.00 0.00 C ATOM 811 CD2 LEU A 49 -11.477 13.544 6.485 1.00 0.00 C ATOM 0 H LEU A 49 -12.510 10.022 6.556 1.00 0.00 H new ATOM 0 HA LEU A 49 -10.257 11.524 5.440 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -10.876 10.650 8.250 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -9.608 11.751 7.748 1.00 0.00 H new ATOM 0 HG LEU A 49 -12.595 12.202 7.695 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -12.036 14.140 9.099 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -11.501 12.607 9.829 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -10.318 13.679 9.043 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -12.169 14.374 6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -10.460 13.928 6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -11.731 13.011 5.569 1.00 0.00 H new ATOM 823 N LEU A 50 -10.121 8.387 6.196 1.00 0.00 N ATOM 824 CA LEU A 50 -9.295 7.194 6.118 1.00 0.00 C ATOM 825 C LEU A 50 -9.123 6.793 4.651 1.00 0.00 C ATOM 826 O LEU A 50 -10.088 6.787 3.888 1.00 0.00 O ATOM 827 CB LEU A 50 -9.875 6.083 6.995 1.00 0.00 C ATOM 828 CG LEU A 50 -8.890 5.394 7.943 1.00 0.00 C ATOM 829 CD1 LEU A 50 -9.425 5.384 9.376 1.00 0.00 C ATOM 830 CD2 LEU A 50 -8.547 3.987 7.449 1.00 0.00 C ATOM 0 H LEU A 50 -11.106 8.211 6.392 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.299 7.394 6.513 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.687 6.502 7.589 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.313 5.326 6.345 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.963 5.968 7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -8.706 4.889 10.029 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.577 6.409 9.715 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.373 4.847 9.407 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.846 3.520 8.140 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.456 3.389 7.395 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -8.094 4.049 6.459 1.00 0.00 H new ATOM 842 N VAL A 51 -7.888 6.467 4.301 1.00 0.00 N ATOM 843 CA VAL A 51 -7.577 6.066 2.940 1.00 0.00 C ATOM 844 C VAL A 51 -6.620 4.872 2.970 1.00 0.00 C ATOM 845 O VAL A 51 -5.982 4.609 3.989 1.00 0.00 O ATOM 846 CB VAL A 51 -7.021 7.257 2.157 1.00 0.00 C ATOM 847 CG1 VAL A 51 -7.059 6.989 0.651 1.00 0.00 C ATOM 848 CG2 VAL A 51 -7.776 8.542 2.504 1.00 0.00 C ATOM 0 H VAL A 51 -7.090 6.472 4.937 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.481 5.746 2.421 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.979 7.392 2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.658 7.851 0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.457 6.109 0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -8.089 6.815 0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.361 9.373 1.934 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.831 8.423 2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.675 8.747 3.570 1.00 0.00 H new ATOM 858 N ILE A 52 -6.551 4.181 1.842 1.00 0.00 N ATOM 859 CA ILE A 52 -5.683 3.022 1.727 1.00 0.00 C ATOM 860 C ILE A 52 -4.659 3.265 0.616 1.00 0.00 C ATOM 861 O ILE A 52 -5.024 3.623 -0.502 1.00 0.00 O ATOM 862 CB ILE A 52 -6.511 1.750 1.532 1.00 0.00 C ATOM 863 CG1 ILE A 52 -7.564 1.608 2.633 1.00 0.00 C ATOM 864 CG2 ILE A 52 -5.609 0.517 1.439 1.00 0.00 C ATOM 865 CD1 ILE A 52 -6.915 1.242 3.969 1.00 0.00 C ATOM 0 H ILE A 52 -7.082 4.402 1.000 1.00 0.00 H new ATOM 0 HA ILE A 52 -5.123 2.872 2.650 1.00 0.00 H new ATOM 0 HB ILE A 52 -7.044 1.831 0.585 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.115 2.543 2.736 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.286 0.841 2.353 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.223 -0.373 1.301 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -4.931 0.625 0.593 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.030 0.419 2.357 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -7.686 1.147 4.734 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -6.385 0.295 3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.211 2.023 4.258 1.00 0.00 H new ATOM 877 N GLN A 53 -3.397 3.060 0.964 1.00 0.00 N ATOM 878 CA GLN A 53 -2.317 3.253 0.010 1.00 0.00 C ATOM 879 C GLN A 53 -2.330 2.138 -1.038 1.00 0.00 C ATOM 880 O GLN A 53 -2.519 2.399 -2.225 1.00 0.00 O ATOM 881 CB GLN A 53 -0.964 3.322 0.720 1.00 0.00 C ATOM 882 CG GLN A 53 0.161 3.625 -0.271 1.00 0.00 C ATOM 883 CD GLN A 53 1.401 4.155 0.451 1.00 0.00 C ATOM 884 OE1 GLN A 53 1.565 5.345 0.666 1.00 0.00 O ATOM 885 NE2 GLN A 53 2.262 3.208 0.813 1.00 0.00 N ATOM 0 H GLN A 53 -3.098 2.762 1.893 1.00 0.00 H new ATOM 0 HA GLN A 53 -2.472 4.205 -0.498 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.992 4.093 1.490 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -0.765 2.376 1.223 1.00 0.00 H new ATOM 0 HG2 GLN A 53 0.417 2.721 -0.824 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -0.181 4.359 -1.001 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.063 2.230 0.602 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.121 3.460 1.302 1.00 0.00 H new ATOM 894 N ARG A 54 -2.126 0.919 -0.561 1.00 0.00 N ATOM 895 CA ARG A 54 -2.111 -0.237 -1.442 1.00 0.00 C ATOM 896 C ARG A 54 -1.981 -1.524 -0.626 1.00 0.00 C ATOM 897 O ARG A 54 -1.016 -1.699 0.115 1.00 0.00 O ATOM 898 CB ARG A 54 -0.955 -0.154 -2.440 1.00 0.00 C ATOM 899 CG ARG A 54 -1.278 -0.927 -3.720 1.00 0.00 C ATOM 900 CD ARG A 54 -1.109 -0.040 -4.954 1.00 0.00 C ATOM 901 NE ARG A 54 -0.997 -0.878 -6.169 1.00 0.00 N ATOM 902 CZ ARG A 54 0.104 -1.560 -6.512 1.00 0.00 C ATOM 903 NH1 ARG A 54 1.195 -1.506 -5.736 1.00 0.00 N ATOM 904 NH2 ARG A 54 0.115 -2.295 -7.633 1.00 0.00 N ATOM 0 H ARG A 54 -1.970 0.706 0.424 1.00 0.00 H new ATOM 0 HA ARG A 54 -3.051 -0.246 -1.993 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.754 0.889 -2.682 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.049 -0.557 -1.987 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.624 -1.795 -3.800 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.301 -1.302 -3.674 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.959 0.636 -5.045 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.219 0.580 -4.847 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.809 -0.940 -6.783 1.00 0.00 H new ATOM 0 HH11 ARG A 54 1.187 -0.946 -4.884 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.033 -2.025 -5.997 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.715 -2.335 -8.225 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.953 -2.814 -7.894 1.00 0.00 H new ATOM 918 N ILE A 55 -2.968 -2.394 -0.791 1.00 0.00 N ATOM 919 CA ILE A 55 -2.975 -3.660 -0.079 1.00 0.00 C ATOM 920 C ILE A 55 -2.196 -4.700 -0.888 1.00 0.00 C ATOM 921 O ILE A 55 -2.302 -4.745 -2.112 1.00 0.00 O ATOM 922 CB ILE A 55 -4.409 -4.083 0.246 1.00 0.00 C ATOM 923 CG1 ILE A 55 -4.992 -3.226 1.372 1.00 0.00 C ATOM 924 CG2 ILE A 55 -4.480 -5.577 0.568 1.00 0.00 C ATOM 925 CD1 ILE A 55 -6.417 -3.666 1.715 1.00 0.00 C ATOM 0 H ILE A 55 -3.767 -2.246 -1.407 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.470 -3.560 0.882 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.024 -3.914 -0.638 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.361 -3.304 2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.993 -2.178 1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.510 -5.852 0.795 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.133 -6.151 -0.291 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.848 -5.794 1.429 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.808 -3.041 2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.051 -3.564 0.834 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.409 -4.707 2.037 1.00 0.00 H new ATOM 937 N LYS A 56 -1.431 -5.508 -0.170 1.00 0.00 N ATOM 938 CA LYS A 56 -0.634 -6.544 -0.805 1.00 0.00 C ATOM 939 C LYS A 56 -0.980 -7.900 -0.185 1.00 0.00 C ATOM 940 O LYS A 56 -0.725 -8.129 0.996 1.00 0.00 O ATOM 941 CB LYS A 56 0.854 -6.196 -0.732 1.00 0.00 C ATOM 942 CG LYS A 56 1.580 -6.622 -2.009 1.00 0.00 C ATOM 943 CD LYS A 56 3.004 -6.062 -2.043 1.00 0.00 C ATOM 944 CE LYS A 56 3.887 -6.867 -2.999 1.00 0.00 C ATOM 945 NZ LYS A 56 4.993 -7.516 -2.260 1.00 0.00 N ATOM 0 H LYS A 56 -1.346 -5.467 0.846 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.870 -6.609 -1.867 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.973 -5.123 -0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.305 -6.690 0.129 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.612 -7.710 -2.068 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.027 -6.272 -2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 56 2.981 -5.018 -2.356 1.00 0.00 H new ATOM 0 HD3 LYS A 56 3.432 -6.085 -1.041 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.288 -7.623 -3.507 1.00 0.00 H new ATOM 0 HE3 LYS A 56 4.292 -6.211 -3.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.583 -8.058 -2.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.574 -6.789 -1.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.601 -8.158 -1.541 1.00 0.00 H new ATOM 959 N THR A 57 -1.555 -8.762 -1.010 1.00 0.00 N ATOM 960 CA THR A 57 -1.938 -10.089 -0.558 1.00 0.00 C ATOM 961 C THR A 57 -0.752 -11.050 -0.660 1.00 0.00 C ATOM 962 O THR A 57 -0.087 -11.114 -1.692 1.00 0.00 O ATOM 963 CB THR A 57 -3.153 -10.534 -1.375 1.00 0.00 C ATOM 964 OG1 THR A 57 -3.929 -9.348 -1.518 1.00 0.00 O ATOM 965 CG2 THR A 57 -4.065 -11.485 -0.597 1.00 0.00 C ATOM 0 H THR A 57 -1.765 -8.568 -1.989 1.00 0.00 H new ATOM 0 HA THR A 57 -2.221 -10.082 0.495 1.00 0.00 H new ATOM 0 HB THR A 57 -2.816 -11.021 -2.290 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.736 -9.546 -2.038 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.911 -11.770 -1.222 1.00 0.00 H new ATOM 0 HG22 THR A 57 -3.505 -12.377 -0.315 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.429 -10.986 0.301 1.00 0.00 H new ATOM 1050 N GLU A 63 -2.604 -13.477 4.000 1.00 0.00 N ATOM 1051 CA GLU A 63 -2.436 -12.249 4.758 1.00 0.00 C ATOM 1052 C GLU A 63 -2.181 -11.072 3.814 1.00 0.00 C ATOM 1053 O GLU A 63 -1.246 -11.104 3.015 1.00 0.00 O ATOM 1054 CB GLU A 63 -1.305 -12.387 5.780 1.00 0.00 C ATOM 1055 CG GLU A 63 -0.961 -11.032 6.403 1.00 0.00 C ATOM 1056 CD GLU A 63 0.263 -10.412 5.725 1.00 0.00 C ATOM 1057 OE1 GLU A 63 1.369 -10.947 5.953 1.00 0.00 O ATOM 1058 OE2 GLU A 63 0.064 -9.418 4.994 1.00 0.00 O ATOM 0 HA GLU A 63 -3.357 -12.055 5.307 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.600 -13.087 6.562 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.422 -12.804 5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.813 -10.358 6.310 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.767 -11.156 7.468 1.00 0.00 H new ATOM 1065 N SER A 64 -3.029 -10.062 3.938 1.00 0.00 N ATOM 1066 CA SER A 64 -2.907 -8.877 3.105 1.00 0.00 C ATOM 1067 C SER A 64 -2.506 -7.674 3.962 1.00 0.00 C ATOM 1068 O SER A 64 -3.119 -7.413 4.996 1.00 0.00 O ATOM 1069 CB SER A 64 -4.214 -8.589 2.364 1.00 0.00 C ATOM 1070 OG SER A 64 -4.775 -9.767 1.792 1.00 0.00 O ATOM 0 H SER A 64 -3.803 -10.039 4.602 1.00 0.00 H new ATOM 0 HA SER A 64 -2.131 -9.059 2.361 1.00 0.00 H new ATOM 0 HB2 SER A 64 -4.931 -8.144 3.054 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.031 -7.856 1.578 1.00 0.00 H new ATOM 0 HG SER A 64 -5.516 -9.522 1.199 1.00 0.00 H new ATOM 1076 N LYS A 65 -1.481 -6.975 3.500 1.00 0.00 N ATOM 1077 CA LYS A 65 -0.991 -5.806 4.211 1.00 0.00 C ATOM 1078 C LYS A 65 -1.152 -4.570 3.324 1.00 0.00 C ATOM 1079 O LYS A 65 -0.912 -4.631 2.119 1.00 0.00 O ATOM 1080 CB LYS A 65 0.443 -6.034 4.693 1.00 0.00 C ATOM 1081 CG LYS A 65 1.455 -5.582 3.639 1.00 0.00 C ATOM 1082 CD LYS A 65 2.888 -5.745 4.148 1.00 0.00 C ATOM 1083 CE LYS A 65 3.281 -7.223 4.215 1.00 0.00 C ATOM 1084 NZ LYS A 65 3.487 -7.766 2.854 1.00 0.00 N ATOM 0 H LYS A 65 -0.976 -7.195 2.642 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.581 -5.632 5.111 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.610 -5.486 5.621 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.592 -7.091 4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.321 -6.165 2.728 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.274 -4.539 3.380 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.574 -5.212 3.490 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.980 -5.295 5.137 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.193 -7.337 4.800 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.502 -7.790 4.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.975 -8.682 2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.566 -7.896 2.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.065 -7.103 2.299 1.00 0.00 H new ATOM 1098 N GLY A 66 -1.556 -3.477 3.954 1.00 0.00 N ATOM 1099 CA GLY A 66 -1.752 -2.229 3.237 1.00 0.00 C ATOM 1100 C GLY A 66 -1.668 -1.032 4.186 1.00 0.00 C ATOM 1101 O GLY A 66 -2.191 -1.079 5.298 1.00 0.00 O ATOM 0 H GLY A 66 -1.753 -3.430 4.954 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.998 -2.132 2.456 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.723 -2.238 2.743 1.00 0.00 H new ATOM 1105 N TYR A 67 -1.005 0.013 3.712 1.00 0.00 N ATOM 1106 CA TYR A 67 -0.846 1.220 4.505 1.00 0.00 C ATOM 1107 C TYR A 67 -2.041 2.158 4.322 1.00 0.00 C ATOM 1108 O TYR A 67 -2.379 2.526 3.198 1.00 0.00 O ATOM 1109 CB TYR A 67 0.414 1.909 3.977 1.00 0.00 C ATOM 1110 CG TYR A 67 1.713 1.390 4.596 1.00 0.00 C ATOM 1111 CD1 TYR A 67 2.069 0.065 4.443 1.00 0.00 C ATOM 1112 CD2 TYR A 67 2.529 2.246 5.307 1.00 0.00 C ATOM 1113 CE1 TYR A 67 3.292 -0.423 5.026 1.00 0.00 C ATOM 1114 CE2 TYR A 67 3.751 1.758 5.890 1.00 0.00 C ATOM 1115 CZ TYR A 67 4.073 0.447 5.720 1.00 0.00 C ATOM 1116 OH TYR A 67 5.228 -0.014 6.271 1.00 0.00 O ATOM 0 H TYR A 67 -0.572 0.049 2.789 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.776 0.976 5.565 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.461 1.778 2.896 1.00 0.00 H new ATOM 0 HB3 TYR A 67 0.336 2.980 4.165 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.431 -0.605 3.886 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.251 3.283 5.426 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.582 -1.457 4.914 1.00 0.00 H new ATOM 0 HE2 TYR A 67 4.398 2.417 6.450 1.00 0.00 H new ATOM 0 HH TYR A 67 5.216 0.147 7.238 1.00 0.00 H new ATOM 1126 N ALA A 68 -2.647 2.518 5.443 1.00 0.00 N ATOM 1127 CA ALA A 68 -3.797 3.407 5.421 1.00 0.00 C ATOM 1128 C ALA A 68 -3.351 4.821 5.796 1.00 0.00 C ATOM 1129 O ALA A 68 -2.326 4.999 6.453 1.00 0.00 O ATOM 1130 CB ALA A 68 -4.878 2.867 6.360 1.00 0.00 C ATOM 0 H ALA A 68 -2.364 2.210 6.373 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.228 3.453 4.421 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.740 3.534 6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.181 1.873 6.032 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.483 2.809 7.374 1.00 0.00 H new ATOM 1136 N LYS A 69 -4.143 5.791 5.364 1.00 0.00 N ATOM 1137 CA LYS A 69 -3.842 7.185 5.646 1.00 0.00 C ATOM 1138 C LYS A 69 -5.020 7.814 6.393 1.00 0.00 C ATOM 1139 O LYS A 69 -6.104 7.969 5.832 1.00 0.00 O ATOM 1140 CB LYS A 69 -3.464 7.922 4.360 1.00 0.00 C ATOM 1141 CG LYS A 69 -2.118 7.432 3.823 1.00 0.00 C ATOM 1142 CD LYS A 69 -2.021 7.646 2.311 1.00 0.00 C ATOM 1143 CE LYS A 69 -2.636 6.469 1.550 1.00 0.00 C ATOM 1144 NZ LYS A 69 -3.744 6.934 0.686 1.00 0.00 N ATOM 0 H LYS A 69 -4.993 5.640 4.821 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.972 7.264 6.298 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.238 7.768 3.608 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.415 8.994 4.552 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.308 7.964 4.322 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.994 6.374 4.053 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.533 8.568 2.037 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.976 7.764 2.023 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.873 5.982 0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -3.005 5.725 2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.358 6.130 0.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.298 7.655 1.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.355 7.344 -0.187 1.00 0.00 H new ATOM 1158 N LEU A 70 -4.767 8.161 7.646 1.00 0.00 N ATOM 1159 CA LEU A 70 -5.793 8.771 8.475 1.00 0.00 C ATOM 1160 C LEU A 70 -5.581 10.286 8.509 1.00 0.00 C ATOM 1161 O LEU A 70 -4.507 10.758 8.876 1.00 0.00 O ATOM 1162 CB LEU A 70 -5.817 8.122 9.861 1.00 0.00 C ATOM 1163 CG LEU A 70 -6.615 8.865 10.935 1.00 0.00 C ATOM 1164 CD1 LEU A 70 -8.013 9.226 10.428 1.00 0.00 C ATOM 1165 CD2 LEU A 70 -6.667 8.059 12.234 1.00 0.00 C ATOM 0 H LEU A 70 -3.867 8.032 8.108 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.781 8.597 8.049 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.226 7.117 9.763 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.789 8.015 10.208 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.102 9.801 11.156 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.559 9.753 11.210 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.928 9.867 9.550 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.550 8.316 10.161 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.240 8.609 12.981 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.144 7.097 12.047 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.654 7.896 12.602 1.00 0.00 H new ATOM 1177 N TYR A 71 -6.624 11.005 8.121 1.00 0.00 N ATOM 1178 CA TYR A 71 -6.566 12.457 8.102 1.00 0.00 C ATOM 1179 C TYR A 71 -7.507 13.057 9.149 1.00 0.00 C ATOM 1180 O TYR A 71 -8.417 12.383 9.631 1.00 0.00 O ATOM 1181 CB TYR A 71 -7.037 12.880 6.709 1.00 0.00 C ATOM 1182 CG TYR A 71 -5.977 12.714 5.618 1.00 0.00 C ATOM 1183 CD1 TYR A 71 -5.751 11.473 5.059 1.00 0.00 C ATOM 1184 CD2 TYR A 71 -5.248 13.806 5.192 1.00 0.00 C ATOM 1185 CE1 TYR A 71 -4.754 11.317 4.032 1.00 0.00 C ATOM 1186 CE2 TYR A 71 -4.251 13.650 4.165 1.00 0.00 C ATOM 1187 CZ TYR A 71 -4.053 12.413 3.635 1.00 0.00 C ATOM 1188 OH TYR A 71 -3.112 12.266 2.665 1.00 0.00 O ATOM 0 H TYR A 71 -7.514 10.609 7.817 1.00 0.00 H new ATOM 0 HA TYR A 71 -5.557 12.803 8.325 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -7.916 12.294 6.440 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -7.348 13.924 6.743 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.322 10.619 5.392 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.425 14.778 5.629 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.567 10.351 3.587 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.673 14.496 3.823 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.692 13.133 2.482 1.00 0.00 H new ATOM 1198 N GLU A 72 -7.256 14.318 9.471 1.00 0.00 N ATOM 1199 CA GLU A 72 -8.069 15.016 10.452 1.00 0.00 C ATOM 1200 C GLU A 72 -9.236 15.728 9.764 1.00 0.00 C ATOM 1201 O GLU A 72 -10.335 15.798 10.311 1.00 0.00 O ATOM 1202 CB GLU A 72 -7.225 16.002 11.261 1.00 0.00 C ATOM 1203 CG GLU A 72 -6.605 15.320 12.482 1.00 0.00 C ATOM 1204 CD GLU A 72 -7.389 15.651 13.753 1.00 0.00 C ATOM 1205 OE1 GLU A 72 -8.434 14.997 13.962 1.00 0.00 O ATOM 1206 OE2 GLU A 72 -6.926 16.550 14.488 1.00 0.00 O ATOM 0 H GLU A 72 -6.501 14.874 9.070 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.476 14.282 11.147 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.437 16.414 10.631 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.845 16.838 11.583 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.589 14.241 12.331 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.570 15.641 12.595 1.00 0.00 H new ATOM 1213 N ASP A 73 -8.956 16.239 8.574 1.00 0.00 N ATOM 1214 CA ASP A 73 -9.969 16.943 7.805 1.00 0.00 C ATOM 1215 C ASP A 73 -9.869 16.528 6.336 1.00 0.00 C ATOM 1216 O ASP A 73 -8.776 16.276 5.832 1.00 0.00 O ATOM 1217 CB ASP A 73 -9.765 18.458 7.883 1.00 0.00 C ATOM 1218 CG ASP A 73 -9.957 19.065 9.274 1.00 0.00 C ATOM 1219 OD1 ASP A 73 -10.703 18.449 10.065 1.00 0.00 O ATOM 1220 OD2 ASP A 73 -9.353 20.133 9.515 1.00 0.00 O ATOM 0 H ASP A 73 -8.043 16.180 8.123 1.00 0.00 H new ATOM 0 HA ASP A 73 -10.944 16.688 8.219 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.758 18.692 7.537 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.459 18.939 7.194 1.00 0.00 H new ATOM 1225 N ALA A 74 -11.025 16.468 5.692 1.00 0.00 N ATOM 1226 CA ALA A 74 -11.081 16.087 4.290 1.00 0.00 C ATOM 1227 C ALA A 74 -10.510 17.219 3.435 1.00 0.00 C ATOM 1228 O ALA A 74 -9.774 16.971 2.481 1.00 0.00 O ATOM 1229 CB ALA A 74 -12.523 15.742 3.913 1.00 0.00 C ATOM 0 H ALA A 74 -11.930 16.677 6.114 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.475 15.200 4.109 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.566 15.456 2.862 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.872 14.913 4.529 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -13.160 16.611 4.079 1.00 0.00 H new ATOM 1235 N ASP A 75 -10.870 18.439 3.807 1.00 0.00 N ATOM 1236 CA ASP A 75 -10.402 19.610 3.086 1.00 0.00 C ATOM 1237 C ASP A 75 -8.884 19.526 2.915 1.00 0.00 C ATOM 1238 O ASP A 75 -8.349 19.929 1.883 1.00 0.00 O ATOM 1239 CB ASP A 75 -10.720 20.894 3.855 1.00 0.00 C ATOM 1240 CG ASP A 75 -11.328 22.018 3.014 1.00 0.00 C ATOM 1241 OD1 ASP A 75 -10.706 22.356 1.984 1.00 0.00 O ATOM 1242 OD2 ASP A 75 -12.402 22.514 3.419 1.00 0.00 O ATOM 0 H ASP A 75 -11.481 18.641 4.599 1.00 0.00 H new ATOM 0 HA ASP A 75 -10.906 19.634 2.120 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.409 20.653 4.665 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -9.802 21.261 4.315 1.00 0.00 H new ATOM 1247 N ARG A 76 -8.233 18.999 3.942 1.00 0.00 N ATOM 1248 CA ARG A 76 -6.787 18.857 3.917 1.00 0.00 C ATOM 1249 C ARG A 76 -6.377 17.775 2.917 1.00 0.00 C ATOM 1250 O ARG A 76 -5.520 18.005 2.065 1.00 0.00 O ATOM 1251 CB ARG A 76 -6.247 18.493 5.302 1.00 0.00 C ATOM 1252 CG ARG A 76 -5.405 19.633 5.879 1.00 0.00 C ATOM 1253 CD ARG A 76 -4.166 19.890 5.018 1.00 0.00 C ATOM 1254 NE ARG A 76 -3.208 20.745 5.753 1.00 0.00 N ATOM 1255 CZ ARG A 76 -1.904 20.839 5.457 1.00 0.00 C ATOM 1256 NH1 ARG A 76 -1.396 20.131 4.439 1.00 0.00 N ATOM 1257 NH2 ARG A 76 -1.109 21.641 6.178 1.00 0.00 N ATOM 0 H ARG A 76 -8.680 18.665 4.796 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.364 19.815 3.614 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -7.077 18.273 5.974 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -5.643 17.588 5.235 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -6.006 20.540 5.937 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -5.101 19.386 6.896 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.694 18.944 4.754 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -4.455 20.373 4.085 1.00 0.00 H new ATOM 0 HE ARG A 76 -3.562 21.298 6.534 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -2.002 19.521 3.890 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -0.404 20.202 4.213 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -1.496 22.180 6.952 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -0.117 21.712 5.952 1.00 0.00 H new ATOM 1271 N MET A 77 -7.008 16.618 3.053 1.00 0.00 N ATOM 1272 CA MET A 77 -6.720 15.500 2.171 1.00 0.00 C ATOM 1273 C MET A 77 -6.793 15.926 0.703 1.00 0.00 C ATOM 1274 O MET A 77 -5.990 15.482 -0.116 1.00 0.00 O ATOM 1275 CB MET A 77 -7.725 14.375 2.426 1.00 0.00 C ATOM 1276 CG MET A 77 -7.636 13.303 1.339 1.00 0.00 C ATOM 1277 SD MET A 77 -8.406 11.795 1.904 1.00 0.00 S ATOM 1278 CE MET A 77 -10.118 12.299 1.898 1.00 0.00 C ATOM 0 H MET A 77 -7.718 16.431 3.761 1.00 0.00 H new ATOM 0 HA MET A 77 -5.709 15.150 2.379 1.00 0.00 H new ATOM 0 HB2 MET A 77 -7.534 13.926 3.401 1.00 0.00 H new ATOM 0 HB3 MET A 77 -8.735 14.785 2.456 1.00 0.00 H new ATOM 0 HG2 MET A 77 -8.126 13.653 0.431 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.592 13.116 1.086 1.00 0.00 H new ATOM 0 HE1 MET A 77 -10.734 11.489 1.508 1.00 0.00 H new ATOM 0 HE2 MET A 77 -10.431 12.536 2.915 1.00 0.00 H new ATOM 0 HE3 MET A 77 -10.236 13.180 1.267 1.00 0.00 H new