USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 336 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 23 SER OG : rot -80:sc= 1.17 USER MOD Set 1.2: A 38 LYS NZ :NH3+ 153:sc= 0.99 (180deg=1.01) USER MOD Single : A 1 TYR N :NH3+ 155:sc= -0.0325 (180deg=-1.38!) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.106 K(o=-0.11,f=-1.2) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 168:sc=-0.00973 (180deg=-0.173) USER MOD Single : A 10 HIS : no HD1:sc= -0.0901 X(o=-0.09,f=-0.09) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0517) USER MOD Single : A 22 SER OG : rot 58:sc= 0.0862 USER MOD Single : A 27 LYS NZ :NH3+ -108:sc= -0.53 (180deg=-2.57!) USER MOD Single : A 28 MET CE :methyl -170:sc= -0.896 (180deg=-1.22) USER MOD Single : A 35 LYS NZ :NH3+ -168:sc= 1.22 (180deg=0.756) USER MOD Single : A 39 LYS NZ :NH3+ 140:sc= -0.972 (180deg=-1.46!) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 28.414 -46.611 11.855 1.00 0.00 N ATOM 2 CA TYR A 1 28.558 -46.343 10.410 1.00 0.00 C ATOM 3 C TYR A 1 29.686 -45.344 10.117 1.00 0.00 C ATOM 4 O TYR A 1 30.469 -45.556 9.193 1.00 0.00 O ATOM 5 CB TYR A 1 27.214 -45.851 9.855 1.00 0.00 C ATOM 6 CG TYR A 1 27.274 -45.587 8.360 1.00 0.00 C ATOM 7 CD1 TYR A 1 27.099 -46.595 7.473 1.00 0.00 C ATOM 8 CD2 TYR A 1 27.525 -44.332 7.911 1.00 0.00 C ATOM 9 CE1 TYR A 1 27.174 -46.351 6.143 1.00 0.00 C ATOM 10 CE2 TYR A 1 27.602 -44.089 6.582 1.00 0.00 C ATOM 11 CZ TYR A 1 27.425 -45.096 5.699 1.00 0.00 C ATOM 12 OH TYR A 1 27.502 -44.849 4.354 1.00 0.00 O ATOM 0 H1 TYR A 1 27.441 -46.919 12.056 1.00 0.00 H new ATOM 0 H2 TYR A 1 29.079 -47.359 12.137 1.00 0.00 H new ATOM 0 H3 TYR A 1 28.620 -45.744 12.391 1.00 0.00 H new ATOM 0 HA TYR A 1 28.838 -47.270 9.910 1.00 0.00 H new ATOM 0 HB2 TYR A 1 26.444 -46.594 10.061 1.00 0.00 H new ATOM 0 HB3 TYR A 1 26.921 -44.937 10.372 1.00 0.00 H new ATOM 0 HD1 TYR A 1 26.899 -47.596 7.827 1.00 0.00 H new ATOM 0 HD2 TYR A 1 27.664 -43.525 8.615 1.00 0.00 H new ATOM 0 HE1 TYR A 1 27.034 -47.156 5.437 1.00 0.00 H new ATOM 0 HE2 TYR A 1 27.805 -43.089 6.227 1.00 0.00 H new ATOM 0 HH TYR A 1 27.687 -43.898 4.206 1.00 0.00 H new ATOM 24 N LYS A 2 29.763 -44.238 10.853 1.00 0.00 N ATOM 25 CA LYS A 2 30.710 -43.171 10.488 1.00 0.00 C ATOM 26 C LYS A 2 32.174 -43.640 10.480 1.00 0.00 C ATOM 27 O LYS A 2 32.872 -43.502 9.476 1.00 0.00 O ATOM 28 CB LYS A 2 30.538 -41.982 11.446 1.00 0.00 C ATOM 29 CG LYS A 2 29.136 -41.358 11.431 1.00 0.00 C ATOM 30 CD LYS A 2 28.807 -40.688 10.096 1.00 0.00 C ATOM 31 CE LYS A 2 27.457 -39.975 10.175 1.00 0.00 C ATOM 32 NZ LYS A 2 27.153 -39.331 8.886 1.00 0.00 N ATOM 0 H LYS A 2 29.201 -44.053 11.684 1.00 0.00 H new ATOM 0 HA LYS A 2 30.477 -42.869 9.467 1.00 0.00 H new ATOM 0 HB2 LYS A 2 30.766 -42.311 12.460 1.00 0.00 H new ATOM 0 HB3 LYS A 2 31.268 -41.214 11.189 1.00 0.00 H new ATOM 0 HG2 LYS A 2 28.396 -42.131 11.638 1.00 0.00 H new ATOM 0 HG3 LYS A 2 29.061 -40.622 12.231 1.00 0.00 H new ATOM 0 HD2 LYS A 2 29.588 -39.973 9.839 1.00 0.00 H new ATOM 0 HD3 LYS A 2 28.785 -41.435 9.303 1.00 0.00 H new ATOM 0 HE2 LYS A 2 26.673 -40.689 10.428 1.00 0.00 H new ATOM 0 HE3 LYS A 2 27.476 -39.228 10.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 26.234 -38.848 8.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 27.894 -38.637 8.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 27.116 -40.052 8.138 1.00 0.00 H new ATOM 46 N GLN A 3 32.654 -44.178 11.595 1.00 0.00 N ATOM 47 CA GLN A 3 34.045 -44.648 11.657 1.00 0.00 C ATOM 48 C GLN A 3 34.240 -46.012 10.983 1.00 0.00 C ATOM 49 O GLN A 3 35.210 -46.227 10.256 1.00 0.00 O ATOM 50 CB GLN A 3 34.461 -44.705 13.129 1.00 0.00 C ATOM 51 CG GLN A 3 35.963 -44.947 13.303 1.00 0.00 C ATOM 52 CD GLN A 3 36.818 -43.763 12.873 1.00 0.00 C ATOM 53 OE1 GLN A 3 36.335 -42.704 12.474 1.00 0.00 O ATOM 54 NE2 GLN A 3 38.121 -43.930 12.953 1.00 0.00 N ATOM 0 H GLN A 3 32.119 -44.301 12.455 1.00 0.00 H new ATOM 0 HA GLN A 3 34.675 -43.950 11.105 1.00 0.00 H new ATOM 0 HB2 GLN A 3 34.188 -43.770 13.617 1.00 0.00 H new ATOM 0 HB3 GLN A 3 33.907 -45.499 13.630 1.00 0.00 H new ATOM 0 HG2 GLN A 3 36.169 -45.174 14.349 1.00 0.00 H new ATOM 0 HG3 GLN A 3 36.252 -45.824 12.724 1.00 0.00 H new ATOM 0 HE21 GLN A 3 38.502 -44.815 13.286 1.00 0.00 H new ATOM 0 HE22 GLN A 3 38.750 -43.174 12.682 1.00 0.00 H new ATOM 63 N CYS A 4 33.335 -46.948 11.245 1.00 0.00 N ATOM 64 CA CYS A 4 33.491 -48.308 10.708 1.00 0.00 C ATOM 65 C CYS A 4 33.499 -48.352 9.173 1.00 0.00 C ATOM 66 O CYS A 4 34.289 -49.078 8.569 1.00 0.00 O ATOM 67 CB CYS A 4 32.346 -49.153 11.275 1.00 0.00 C ATOM 68 SG CYS A 4 32.369 -50.836 10.623 1.00 0.00 S ATOM 0 H CYS A 4 32.500 -46.803 11.813 1.00 0.00 H new ATOM 0 HA CYS A 4 34.461 -48.702 11.010 1.00 0.00 H new ATOM 0 HB2 CYS A 4 32.420 -49.183 12.362 1.00 0.00 H new ATOM 0 HB3 CYS A 4 31.393 -48.683 11.034 1.00 0.00 H new ATOM 73 N HIS A 5 32.638 -47.571 8.529 1.00 0.00 N ATOM 74 CA HIS A 5 32.651 -47.512 7.060 1.00 0.00 C ATOM 75 C HIS A 5 33.885 -46.772 6.519 1.00 0.00 C ATOM 76 O HIS A 5 34.426 -47.135 5.475 1.00 0.00 O ATOM 77 CB HIS A 5 31.355 -46.830 6.604 1.00 0.00 C ATOM 78 CG HIS A 5 31.152 -46.901 5.108 1.00 0.00 C ATOM 79 ND1 HIS A 5 31.462 -45.883 4.224 1.00 0.00 N ATOM 80 CD2 HIS A 5 30.575 -47.982 4.429 1.00 0.00 C ATOM 81 CE1 HIS A 5 31.046 -46.455 3.051 1.00 0.00 C ATOM 82 NE2 HIS A 5 30.501 -47.713 3.072 1.00 0.00 N ATOM 0 H HIS A 5 31.938 -46.982 8.980 1.00 0.00 H new ATOM 0 HA HIS A 5 32.709 -48.524 6.660 1.00 0.00 H new ATOM 0 HB2 HIS A 5 30.507 -47.299 7.104 1.00 0.00 H new ATOM 0 HB3 HIS A 5 31.370 -45.785 6.915 1.00 0.00 H new ATOM 0 HD2 HIS A 5 30.236 -48.895 4.897 1.00 0.00 H new ATOM 0 HE1 HIS A 5 31.146 -45.920 2.118 1.00 0.00 H new ATOM 0 HE2 HIS A 5 30.144 -48.286 2.308 1.00 0.00 H new ATOM 91 N LYS A 6 34.329 -45.726 7.210 1.00 0.00 N ATOM 92 CA LYS A 6 35.474 -44.940 6.724 1.00 0.00 C ATOM 93 C LYS A 6 36.796 -45.723 6.755 1.00 0.00 C ATOM 94 O LYS A 6 37.613 -45.592 5.844 1.00 0.00 O ATOM 95 CB LYS A 6 35.548 -43.658 7.560 1.00 0.00 C ATOM 96 CG LYS A 6 36.528 -42.625 6.996 1.00 0.00 C ATOM 97 CD LYS A 6 36.582 -41.408 7.922 1.00 0.00 C ATOM 98 CE LYS A 6 37.537 -40.333 7.404 1.00 0.00 C ATOM 99 NZ LYS A 6 37.639 -39.247 8.396 1.00 0.00 N ATOM 0 H LYS A 6 33.928 -45.403 8.090 1.00 0.00 H new ATOM 0 HA LYS A 6 35.321 -44.697 5.672 1.00 0.00 H new ATOM 0 HB2 LYS A 6 34.555 -43.213 7.619 1.00 0.00 H new ATOM 0 HB3 LYS A 6 35.844 -43.912 8.578 1.00 0.00 H new ATOM 0 HG2 LYS A 6 37.520 -43.065 6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 6 36.216 -42.321 5.997 1.00 0.00 H new ATOM 0 HD2 LYS A 6 35.582 -40.986 8.023 1.00 0.00 H new ATOM 0 HD3 LYS A 6 36.897 -41.724 8.917 1.00 0.00 H new ATOM 0 HE2 LYS A 6 38.521 -40.764 7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 6 37.177 -39.939 6.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 38.289 -38.515 8.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 36.699 -38.830 8.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 38.001 -39.629 9.293 1.00 0.00 H new ATOM 113 N LYS A 7 37.027 -46.546 7.774 1.00 0.00 N ATOM 114 CA LYS A 7 38.246 -47.370 7.785 1.00 0.00 C ATOM 115 C LYS A 7 38.168 -48.508 6.761 1.00 0.00 C ATOM 116 O LYS A 7 39.082 -48.697 5.957 1.00 0.00 O ATOM 117 CB LYS A 7 38.486 -47.960 9.177 1.00 0.00 C ATOM 118 CG LYS A 7 38.728 -46.876 10.229 1.00 0.00 C ATOM 119 CD LYS A 7 39.110 -47.490 11.576 1.00 0.00 C ATOM 120 CE LYS A 7 40.491 -48.156 11.595 1.00 0.00 C ATOM 121 NZ LYS A 7 41.561 -47.174 11.335 1.00 0.00 N ATOM 0 H LYS A 7 36.414 -46.664 8.580 1.00 0.00 H new ATOM 0 HA LYS A 7 39.077 -46.717 7.516 1.00 0.00 H new ATOM 0 HB2 LYS A 7 37.625 -48.561 9.469 1.00 0.00 H new ATOM 0 HB3 LYS A 7 39.345 -48.630 9.143 1.00 0.00 H new ATOM 0 HG2 LYS A 7 39.521 -46.209 9.892 1.00 0.00 H new ATOM 0 HG3 LYS A 7 37.829 -46.270 10.344 1.00 0.00 H new ATOM 0 HD2 LYS A 7 39.084 -46.711 12.338 1.00 0.00 H new ATOM 0 HD3 LYS A 7 38.359 -48.230 11.851 1.00 0.00 H new ATOM 0 HE2 LYS A 7 40.656 -48.630 12.563 1.00 0.00 H new ATOM 0 HE3 LYS A 7 40.527 -48.945 10.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 42.484 -47.601 11.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 41.537 -46.891 10.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 41.417 -46.337 11.935 1.00 0.00 H new ATOM 135 N GLY A 8 37.091 -49.285 6.799 1.00 0.00 N ATOM 136 CA GLY A 8 36.949 -50.389 5.843 1.00 0.00 C ATOM 137 C GLY A 8 36.281 -51.596 6.493 1.00 0.00 C ATOM 138 O GLY A 8 36.924 -52.612 6.760 1.00 0.00 O ATOM 0 H GLY A 8 36.321 -49.181 7.460 1.00 0.00 H new ATOM 0 HA2 GLY A 8 36.359 -50.060 4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 8 37.930 -50.673 5.463 1.00 0.00 H new ATOM 142 N GLY A 9 34.982 -51.496 6.740 1.00 0.00 N ATOM 143 CA GLY A 9 34.277 -52.619 7.366 1.00 0.00 C ATOM 144 C GLY A 9 32.778 -52.360 7.496 1.00 0.00 C ATOM 145 O GLY A 9 32.234 -51.370 7.003 1.00 0.00 O ATOM 0 H GLY A 9 34.406 -50.681 6.528 1.00 0.00 H new ATOM 0 HA2 GLY A 9 34.438 -53.521 6.776 1.00 0.00 H new ATOM 0 HA3 GLY A 9 34.699 -52.805 8.354 1.00 0.00 H new ATOM 149 N HIS A 10 32.102 -53.285 8.163 1.00 0.00 N ATOM 150 CA HIS A 10 30.647 -53.166 8.331 1.00 0.00 C ATOM 151 C HIS A 10 30.258 -53.690 9.716 1.00 0.00 C ATOM 152 O HIS A 10 30.922 -54.561 10.280 1.00 0.00 O ATOM 153 CB HIS A 10 29.928 -53.998 7.260 1.00 0.00 C ATOM 154 CG HIS A 10 30.150 -53.498 5.848 1.00 0.00 C ATOM 155 ND1 HIS A 10 30.858 -54.189 4.879 1.00 0.00 N ATOM 156 CD2 HIS A 10 29.618 -52.314 5.314 1.00 0.00 C ATOM 157 CE1 HIS A 10 30.689 -53.344 3.814 1.00 0.00 C ATOM 158 NE2 HIS A 10 29.966 -52.190 3.979 1.00 0.00 N ATOM 0 H HIS A 10 32.519 -54.112 8.591 1.00 0.00 H new ATOM 0 HA HIS A 10 30.357 -52.120 8.231 1.00 0.00 H new ATOM 0 HB2 HIS A 10 30.268 -55.032 7.327 1.00 0.00 H new ATOM 0 HB3 HIS A 10 28.859 -53.999 7.471 1.00 0.00 H new ATOM 0 HD2 HIS A 10 29.022 -51.601 5.865 1.00 0.00 H new ATOM 0 HE1 HIS A 10 31.121 -53.584 2.854 1.00 0.00 H new ATOM 0 HE2 HIS A 10 29.747 -51.452 3.310 1.00 0.00 H new ATOM 167 N CYS A 11 29.156 -53.189 10.262 1.00 0.00 N ATOM 168 CA CYS A 11 28.703 -53.690 11.565 1.00 0.00 C ATOM 169 C CYS A 11 27.981 -55.029 11.410 1.00 0.00 C ATOM 170 O CYS A 11 26.941 -55.138 10.759 1.00 0.00 O ATOM 171 CB CYS A 11 27.769 -52.680 12.234 1.00 0.00 C ATOM 172 SG CYS A 11 28.728 -51.377 13.022 1.00 0.00 S ATOM 0 H CYS A 11 28.574 -52.462 9.846 1.00 0.00 H new ATOM 0 HA CYS A 11 29.583 -53.833 12.192 1.00 0.00 H new ATOM 0 HB2 CYS A 11 27.096 -52.249 11.493 1.00 0.00 H new ATOM 0 HB3 CYS A 11 27.147 -53.183 12.975 1.00 0.00 H new ATOM 177 N PHE A 12 28.537 -56.047 12.052 1.00 0.00 N ATOM 178 CA PHE A 12 27.860 -57.347 12.119 1.00 0.00 C ATOM 179 C PHE A 12 27.776 -57.755 13.597 1.00 0.00 C ATOM 180 O PHE A 12 28.637 -57.375 14.392 1.00 0.00 O ATOM 181 CB PHE A 12 28.665 -58.412 11.364 1.00 0.00 C ATOM 182 CG PHE A 12 28.846 -58.117 9.886 1.00 0.00 C ATOM 183 CD1 PHE A 12 27.831 -58.321 9.012 1.00 0.00 C ATOM 184 CD2 PHE A 12 30.048 -57.689 9.433 1.00 0.00 C ATOM 185 CE1 PHE A 12 28.020 -58.099 7.690 1.00 0.00 C ATOM 186 CE2 PHE A 12 30.240 -57.477 8.111 1.00 0.00 C ATOM 187 CZ PHE A 12 29.226 -57.682 7.239 1.00 0.00 C ATOM 0 H PHE A 12 29.438 -56.007 12.528 1.00 0.00 H new ATOM 0 HA PHE A 12 26.871 -57.268 11.668 1.00 0.00 H new ATOM 0 HB2 PHE A 12 29.647 -58.507 11.828 1.00 0.00 H new ATOM 0 HB3 PHE A 12 28.166 -59.375 11.473 1.00 0.00 H new ATOM 0 HD1 PHE A 12 26.871 -58.661 9.370 1.00 0.00 H new ATOM 0 HD2 PHE A 12 30.856 -57.516 10.129 1.00 0.00 H new ATOM 0 HE1 PHE A 12 27.208 -58.255 6.995 1.00 0.00 H new ATOM 0 HE2 PHE A 12 31.203 -57.144 7.752 1.00 0.00 H new ATOM 0 HZ PHE A 12 29.379 -57.513 6.183 1.00 0.00 H new ATOM 197 N PRO A 13 26.789 -58.549 14.015 1.00 0.00 N ATOM 198 CA PRO A 13 26.681 -58.963 15.417 1.00 0.00 C ATOM 199 C PRO A 13 27.895 -59.745 15.928 1.00 0.00 C ATOM 200 O PRO A 13 28.756 -60.188 15.168 1.00 0.00 O ATOM 201 CB PRO A 13 25.429 -59.843 15.386 1.00 0.00 C ATOM 202 CG PRO A 13 24.615 -59.332 14.200 1.00 0.00 C ATOM 203 CD PRO A 13 25.665 -58.936 13.164 1.00 0.00 C ATOM 0 HA PRO A 13 26.630 -58.113 16.098 1.00 0.00 H new ATOM 0 HB2 PRO A 13 25.689 -60.894 15.262 1.00 0.00 H new ATOM 0 HB3 PRO A 13 24.866 -59.761 16.316 1.00 0.00 H new ATOM 0 HG2 PRO A 13 23.947 -60.102 13.815 1.00 0.00 H new ATOM 0 HG3 PRO A 13 23.993 -58.482 14.481 1.00 0.00 H new ATOM 0 HD2 PRO A 13 25.919 -59.763 12.502 1.00 0.00 H new ATOM 0 HD3 PRO A 13 25.328 -58.114 12.533 1.00 0.00 H new ATOM 211 N LYS A 14 27.943 -59.939 17.239 1.00 0.00 N ATOM 212 CA LYS A 14 29.020 -60.740 17.838 1.00 0.00 C ATOM 213 C LYS A 14 29.061 -62.169 17.285 1.00 0.00 C ATOM 214 O LYS A 14 30.115 -62.654 16.877 1.00 0.00 O ATOM 215 CB LYS A 14 28.789 -60.751 19.353 1.00 0.00 C ATOM 216 CG LYS A 14 29.746 -61.685 20.094 1.00 0.00 C ATOM 217 CD LYS A 14 29.434 -61.700 21.589 1.00 0.00 C ATOM 218 CE LYS A 14 30.375 -62.664 22.309 1.00 0.00 C ATOM 219 NZ LYS A 14 30.010 -62.756 23.732 1.00 0.00 N ATOM 0 H LYS A 14 27.266 -59.564 17.904 1.00 0.00 H new ATOM 0 HA LYS A 14 29.984 -60.296 17.590 1.00 0.00 H new ATOM 0 HB2 LYS A 14 28.905 -59.739 19.740 1.00 0.00 H new ATOM 0 HB3 LYS A 14 27.762 -61.055 19.557 1.00 0.00 H new ATOM 0 HG2 LYS A 14 29.664 -62.694 19.690 1.00 0.00 H new ATOM 0 HG3 LYS A 14 30.775 -61.361 19.935 1.00 0.00 H new ATOM 0 HD2 LYS A 14 29.542 -60.697 22.002 1.00 0.00 H new ATOM 0 HD3 LYS A 14 28.399 -62.001 21.750 1.00 0.00 H new ATOM 0 HE2 LYS A 14 30.322 -63.650 21.847 1.00 0.00 H new ATOM 0 HE3 LYS A 14 31.405 -62.321 22.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 30.655 -63.414 24.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 30.083 -61.816 24.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 29.034 -63.103 23.818 1.00 0.00 H new ATOM 233 N GLU A 15 27.926 -62.858 17.299 1.00 0.00 N ATOM 234 CA GLU A 15 27.914 -64.266 16.880 1.00 0.00 C ATOM 235 C GLU A 15 28.307 -64.484 15.410 1.00 0.00 C ATOM 236 O GLU A 15 28.822 -65.541 15.046 1.00 0.00 O ATOM 237 CB GLU A 15 26.537 -64.867 17.182 1.00 0.00 C ATOM 238 CG GLU A 15 25.397 -64.243 16.368 1.00 0.00 C ATOM 239 CD GLU A 15 24.048 -64.804 16.787 1.00 0.00 C ATOM 240 OE1 GLU A 15 23.707 -65.930 16.366 1.00 0.00 O ATOM 241 OE2 GLU A 15 23.319 -64.118 17.536 1.00 0.00 O ATOM 0 H GLU A 15 27.022 -62.483 17.586 1.00 0.00 H new ATOM 0 HA GLU A 15 28.684 -64.781 17.455 1.00 0.00 H new ATOM 0 HB2 GLU A 15 26.567 -65.939 16.985 1.00 0.00 H new ATOM 0 HB3 GLU A 15 26.322 -64.744 18.244 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.401 -63.161 16.502 1.00 0.00 H new ATOM 0 HG3 GLU A 15 25.559 -64.433 15.307 1.00 0.00 H new ATOM 248 N LYS A 16 28.082 -63.491 14.557 1.00 0.00 N ATOM 249 CA LYS A 16 28.506 -63.613 13.157 1.00 0.00 C ATOM 250 C LYS A 16 30.027 -63.462 13.056 1.00 0.00 C ATOM 251 O LYS A 16 30.641 -62.585 13.666 1.00 0.00 O ATOM 252 CB LYS A 16 27.797 -62.560 12.296 1.00 0.00 C ATOM 253 CG LYS A 16 26.270 -62.719 12.279 1.00 0.00 C ATOM 254 CD LYS A 16 25.795 -64.079 11.750 1.00 0.00 C ATOM 255 CE LYS A 16 26.204 -64.348 10.299 1.00 0.00 C ATOM 256 NZ LYS A 16 25.557 -63.391 9.383 1.00 0.00 N ATOM 0 H LYS A 16 27.621 -62.613 14.796 1.00 0.00 H new ATOM 0 HA LYS A 16 28.231 -64.600 12.786 1.00 0.00 H new ATOM 0 HB2 LYS A 16 28.048 -61.567 12.669 1.00 0.00 H new ATOM 0 HB3 LYS A 16 28.173 -62.622 11.275 1.00 0.00 H new ATOM 0 HG2 LYS A 16 25.888 -62.580 13.290 1.00 0.00 H new ATOM 0 HG3 LYS A 16 25.839 -61.929 11.664 1.00 0.00 H new ATOM 0 HD2 LYS A 16 26.199 -64.868 12.385 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.709 -64.131 11.828 1.00 0.00 H new ATOM 0 HE2 LYS A 16 27.287 -64.274 10.203 1.00 0.00 H new ATOM 0 HE3 LYS A 16 25.928 -65.366 10.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 25.754 -63.665 8.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 24.530 -63.396 9.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 25.931 -62.436 9.558 1.00 0.00 H new ATOM 270 N ILE A 17 30.639 -64.355 12.291 1.00 0.00 N ATOM 271 CA ILE A 17 32.104 -64.457 12.289 1.00 0.00 C ATOM 272 C ILE A 17 32.732 -63.457 11.311 1.00 0.00 C ATOM 273 O ILE A 17 32.357 -63.370 10.141 1.00 0.00 O ATOM 274 CB ILE A 17 32.467 -65.903 11.897 1.00 0.00 C ATOM 275 CG1 ILE A 17 31.942 -66.891 12.951 1.00 0.00 C ATOM 276 CG2 ILE A 17 33.979 -66.083 11.713 1.00 0.00 C ATOM 277 CD1 ILE A 17 32.138 -68.350 12.535 1.00 0.00 C ATOM 0 H ILE A 17 30.161 -65.011 11.673 1.00 0.00 H new ATOM 0 HA ILE A 17 32.495 -64.217 13.278 1.00 0.00 H new ATOM 0 HB ILE A 17 31.990 -66.111 10.939 1.00 0.00 H new ATOM 0 HG12 ILE A 17 32.454 -66.714 13.897 1.00 0.00 H new ATOM 0 HG13 ILE A 17 30.882 -66.705 13.123 1.00 0.00 H new ATOM 0 HG21 ILE A 17 34.192 -67.116 11.437 1.00 0.00 H new ATOM 0 HG22 ILE A 17 34.331 -65.417 10.925 1.00 0.00 H new ATOM 0 HG23 ILE A 17 34.490 -65.844 12.646 1.00 0.00 H new ATOM 0 HD11 ILE A 17 31.750 -69.006 13.314 1.00 0.00 H new ATOM 0 HD12 ILE A 17 31.604 -68.538 11.604 1.00 0.00 H new ATOM 0 HD13 ILE A 17 33.200 -68.547 12.390 1.00 0.00 H new ATOM 289 N CYS A 18 33.744 -62.740 11.786 1.00 0.00 N ATOM 290 CA CYS A 18 34.562 -61.935 10.870 1.00 0.00 C ATOM 291 C CYS A 18 35.542 -62.863 10.145 1.00 0.00 C ATOM 292 O CYS A 18 36.149 -63.749 10.749 1.00 0.00 O ATOM 293 CB CYS A 18 35.359 -60.886 11.647 1.00 0.00 C ATOM 294 SG CYS A 18 34.291 -59.651 12.409 1.00 0.00 S ATOM 0 H CYS A 18 34.017 -62.695 12.768 1.00 0.00 H new ATOM 0 HA CYS A 18 33.910 -61.429 10.158 1.00 0.00 H new ATOM 0 HB2 CYS A 18 35.950 -61.379 12.419 1.00 0.00 H new ATOM 0 HB3 CYS A 18 36.060 -60.393 10.974 1.00 0.00 H new ATOM 299 N LEU A 19 35.697 -62.670 8.842 1.00 0.00 N ATOM 300 CA LEU A 19 36.568 -63.563 8.066 1.00 0.00 C ATOM 301 C LEU A 19 37.672 -62.708 7.422 1.00 0.00 C ATOM 302 O LEU A 19 37.368 -61.818 6.626 1.00 0.00 O ATOM 303 CB LEU A 19 35.679 -64.275 7.033 1.00 0.00 C ATOM 304 CG LEU A 19 36.274 -65.527 6.366 1.00 0.00 C ATOM 305 CD1 LEU A 19 37.539 -65.236 5.556 1.00 0.00 C ATOM 306 CD2 LEU A 19 36.545 -66.622 7.399 1.00 0.00 C ATOM 0 H LEU A 19 35.248 -61.927 8.306 1.00 0.00 H new ATOM 0 HA LEU A 19 37.059 -64.322 8.675 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.747 -64.559 7.522 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.424 -63.560 6.251 1.00 0.00 H new ATOM 0 HG LEU A 19 35.522 -65.878 5.660 1.00 0.00 H new ATOM 0 HD11 LEU A 19 37.908 -66.161 5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 19 37.309 -64.521 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 19 38.303 -64.819 6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 19 36.965 -67.496 6.901 1.00 0.00 H new ATOM 0 HD22 LEU A 19 37.251 -66.254 8.143 1.00 0.00 H new ATOM 0 HD23 LEU A 19 35.612 -66.898 7.890 1.00 0.00 H new ATOM 318 N PRO A 20 38.957 -62.916 7.734 1.00 0.00 N ATOM 319 CA PRO A 20 39.417 -64.057 8.539 1.00 0.00 C ATOM 320 C PRO A 20 39.219 -63.841 10.049 1.00 0.00 C ATOM 321 O PRO A 20 38.959 -62.721 10.491 1.00 0.00 O ATOM 322 CB PRO A 20 40.901 -64.123 8.162 1.00 0.00 C ATOM 323 CG PRO A 20 41.276 -62.697 7.762 1.00 0.00 C ATOM 324 CD PRO A 20 40.021 -62.154 7.084 1.00 0.00 C ATOM 0 HA PRO A 20 38.863 -64.975 8.341 1.00 0.00 H new ATOM 0 HB2 PRO A 20 41.505 -64.469 9.001 1.00 0.00 H new ATOM 0 HB3 PRO A 20 41.068 -64.819 7.340 1.00 0.00 H new ATOM 0 HG2 PRO A 20 41.549 -62.099 8.631 1.00 0.00 H new ATOM 0 HG3 PRO A 20 42.131 -62.685 7.085 1.00 0.00 H new ATOM 0 HD2 PRO A 20 39.906 -61.081 7.241 1.00 0.00 H new ATOM 0 HD3 PRO A 20 40.038 -62.318 6.007 1.00 0.00 H new ATOM 332 N PRO A 21 39.330 -64.889 10.873 1.00 0.00 N ATOM 333 CA PRO A 21 39.021 -64.787 12.305 1.00 0.00 C ATOM 334 C PRO A 21 39.858 -63.761 13.080 1.00 0.00 C ATOM 335 O PRO A 21 39.340 -63.053 13.943 1.00 0.00 O ATOM 336 CB PRO A 21 39.268 -66.220 12.788 1.00 0.00 C ATOM 337 CG PRO A 21 39.000 -67.086 11.559 1.00 0.00 C ATOM 338 CD PRO A 21 39.544 -66.258 10.398 1.00 0.00 C ATOM 0 HA PRO A 21 38.010 -64.417 12.476 1.00 0.00 H new ATOM 0 HB2 PRO A 21 40.289 -66.347 13.149 1.00 0.00 H new ATOM 0 HB3 PRO A 21 38.604 -66.482 13.611 1.00 0.00 H new ATOM 0 HG2 PRO A 21 39.504 -68.050 11.632 1.00 0.00 H new ATOM 0 HG3 PRO A 21 37.936 -67.291 11.439 1.00 0.00 H new ATOM 0 HD2 PRO A 21 40.597 -66.464 10.208 1.00 0.00 H new ATOM 0 HD3 PRO A 21 39.008 -66.456 9.470 1.00 0.00 H new ATOM 346 N SER A 22 41.148 -63.662 12.775 1.00 0.00 N ATOM 347 CA SER A 22 41.982 -62.641 13.427 1.00 0.00 C ATOM 348 C SER A 22 41.974 -61.333 12.621 1.00 0.00 C ATOM 349 O SER A 22 43.009 -60.833 12.179 1.00 0.00 O ATOM 350 CB SER A 22 43.399 -63.196 13.612 1.00 0.00 C ATOM 351 OG SER A 22 43.967 -63.565 12.361 1.00 0.00 O ATOM 0 H SER A 22 41.634 -64.254 12.102 1.00 0.00 H new ATOM 0 HA SER A 22 41.574 -62.403 14.409 1.00 0.00 H new ATOM 0 HB2 SER A 22 44.027 -62.447 14.094 1.00 0.00 H new ATOM 0 HB3 SER A 22 43.371 -64.062 14.273 1.00 0.00 H new ATOM 0 HG SER A 22 43.986 -62.785 11.768 1.00 0.00 H new ATOM 357 N SER A 23 40.788 -60.764 12.439 1.00 0.00 N ATOM 358 CA SER A 23 40.670 -59.506 11.693 1.00 0.00 C ATOM 359 C SER A 23 39.322 -58.878 12.048 1.00 0.00 C ATOM 360 O SER A 23 38.311 -59.093 11.378 1.00 0.00 O ATOM 361 CB SER A 23 40.776 -59.793 10.194 1.00 0.00 C ATOM 362 OG SER A 23 40.634 -58.589 9.454 1.00 0.00 O ATOM 0 H SER A 23 39.907 -61.141 12.788 1.00 0.00 H new ATOM 0 HA SER A 23 41.470 -58.813 11.954 1.00 0.00 H new ATOM 0 HB2 SER A 23 41.738 -60.254 9.972 1.00 0.00 H new ATOM 0 HB3 SER A 23 40.005 -60.504 9.897 1.00 0.00 H new ATOM 0 HG SER A 23 39.684 -58.360 9.381 1.00 0.00 H new ATOM 368 N ASP A 24 39.298 -58.124 13.138 1.00 0.00 N ATOM 369 CA ASP A 24 38.013 -57.672 13.682 1.00 0.00 C ATOM 370 C ASP A 24 38.229 -56.418 14.533 1.00 0.00 C ATOM 371 O ASP A 24 39.030 -56.405 15.469 1.00 0.00 O ATOM 372 CB ASP A 24 37.446 -58.826 14.522 1.00 0.00 C ATOM 373 CG ASP A 24 36.140 -58.474 15.222 1.00 0.00 C ATOM 374 OD1 ASP A 24 35.160 -58.123 14.531 1.00 0.00 O ATOM 375 OD2 ASP A 24 36.088 -58.555 16.469 1.00 0.00 O ATOM 0 H ASP A 24 40.122 -57.817 13.654 1.00 0.00 H new ATOM 0 HA ASP A 24 37.311 -57.412 12.889 1.00 0.00 H new ATOM 0 HB2 ASP A 24 37.284 -59.690 13.878 1.00 0.00 H new ATOM 0 HB3 ASP A 24 38.183 -59.119 15.269 1.00 0.00 H new ATOM 380 N PHE A 25 37.484 -55.361 14.233 1.00 0.00 N ATOM 381 CA PHE A 25 37.472 -54.201 15.134 1.00 0.00 C ATOM 382 C PHE A 25 36.473 -54.467 16.267 1.00 0.00 C ATOM 383 O PHE A 25 35.520 -55.234 16.123 1.00 0.00 O ATOM 384 CB PHE A 25 37.067 -52.926 14.382 1.00 0.00 C ATOM 385 CG PHE A 25 37.991 -52.549 13.237 1.00 0.00 C ATOM 386 CD1 PHE A 25 39.295 -52.260 13.471 1.00 0.00 C ATOM 387 CD2 PHE A 25 37.497 -52.451 11.978 1.00 0.00 C ATOM 388 CE1 PHE A 25 40.103 -51.894 12.449 1.00 0.00 C ATOM 389 CE2 PHE A 25 38.304 -52.078 10.958 1.00 0.00 C ATOM 390 CZ PHE A 25 39.608 -51.802 11.193 1.00 0.00 C ATOM 0 H PHE A 25 36.897 -55.276 13.403 1.00 0.00 H new ATOM 0 HA PHE A 25 38.474 -54.055 15.537 1.00 0.00 H new ATOM 0 HB2 PHE A 25 36.058 -53.056 13.990 1.00 0.00 H new ATOM 0 HB3 PHE A 25 37.030 -52.098 15.090 1.00 0.00 H new ATOM 0 HD1 PHE A 25 39.689 -52.322 14.475 1.00 0.00 H new ATOM 0 HD2 PHE A 25 36.457 -52.671 11.789 1.00 0.00 H new ATOM 0 HE1 PHE A 25 41.144 -51.675 12.636 1.00 0.00 H new ATOM 0 HE2 PHE A 25 37.908 -52.001 9.956 1.00 0.00 H new ATOM 0 HZ PHE A 25 40.253 -51.508 10.378 1.00 0.00 H new ATOM 400 N GLY A 26 36.690 -53.834 17.413 1.00 0.00 N ATOM 401 CA GLY A 26 35.851 -54.134 18.579 1.00 0.00 C ATOM 402 C GLY A 26 34.523 -53.381 18.540 1.00 0.00 C ATOM 403 O GLY A 26 33.804 -53.390 17.540 1.00 0.00 O ATOM 0 H GLY A 26 37.414 -53.131 17.565 1.00 0.00 H new ATOM 0 HA2 GLY A 26 35.658 -55.206 18.620 1.00 0.00 H new ATOM 0 HA3 GLY A 26 36.389 -53.872 19.490 1.00 0.00 H new ATOM 407 N LYS A 27 34.191 -52.717 19.639 1.00 0.00 N ATOM 408 CA LYS A 27 32.960 -51.916 19.663 1.00 0.00 C ATOM 409 C LYS A 27 33.251 -50.538 19.064 1.00 0.00 C ATOM 410 O LYS A 27 33.731 -49.626 19.738 1.00 0.00 O ATOM 411 CB LYS A 27 32.464 -51.764 21.104 1.00 0.00 C ATOM 412 CG LYS A 27 32.083 -53.106 21.735 1.00 0.00 C ATOM 413 CD LYS A 27 31.465 -52.955 23.130 1.00 0.00 C ATOM 414 CE LYS A 27 32.450 -52.520 24.221 1.00 0.00 C ATOM 415 NZ LYS A 27 32.741 -51.077 24.148 1.00 0.00 N ATOM 0 H LYS A 27 34.732 -52.711 20.503 1.00 0.00 H new ATOM 0 HA LYS A 27 32.187 -52.414 19.078 1.00 0.00 H new ATOM 0 HB2 LYS A 27 33.241 -51.291 21.705 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.600 -51.100 21.120 1.00 0.00 H new ATOM 0 HG2 LYS A 27 31.376 -53.620 21.084 1.00 0.00 H new ATOM 0 HG3 LYS A 27 32.971 -53.735 21.802 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.656 -52.226 23.078 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.019 -53.906 23.420 1.00 0.00 H new ATOM 0 HE2 LYS A 27 32.037 -52.759 25.201 1.00 0.00 H new ATOM 0 HE3 LYS A 27 33.377 -53.084 24.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 33.708 -50.935 23.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 32.066 -50.619 23.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 32.654 -50.657 25.095 1.00 0.00 H new ATOM 429 N MET A 28 32.976 -50.398 17.775 1.00 0.00 N ATOM 430 CA MET A 28 33.358 -49.173 17.063 1.00 0.00 C ATOM 431 C MET A 28 32.244 -48.123 17.140 1.00 0.00 C ATOM 432 O MET A 28 32.337 -47.165 17.907 1.00 0.00 O ATOM 433 CB MET A 28 33.679 -49.575 15.618 1.00 0.00 C ATOM 434 CG MET A 28 35.069 -50.197 15.489 1.00 0.00 C ATOM 435 SD MET A 28 36.298 -48.897 15.313 1.00 0.00 S ATOM 436 CE MET A 28 36.026 -48.532 13.570 1.00 0.00 C ATOM 0 H MET A 28 32.500 -51.097 17.205 1.00 0.00 H new ATOM 0 HA MET A 28 34.232 -48.710 17.520 1.00 0.00 H new ATOM 0 HB2 MET A 28 32.931 -50.285 15.265 1.00 0.00 H new ATOM 0 HB3 MET A 28 33.614 -48.697 14.975 1.00 0.00 H new ATOM 0 HG2 MET A 28 35.290 -50.804 16.367 1.00 0.00 H new ATOM 0 HG3 MET A 28 35.102 -50.862 14.626 1.00 0.00 H new ATOM 0 HE1 MET A 28 36.813 -47.870 13.210 1.00 0.00 H new ATOM 0 HE2 MET A 28 36.041 -49.459 12.997 1.00 0.00 H new ATOM 0 HE3 MET A 28 35.058 -48.046 13.447 1.00 0.00 H new ATOM 446 N ASP A 29 31.195 -48.283 16.340 1.00 0.00 N ATOM 447 CA ASP A 29 30.127 -47.273 16.313 1.00 0.00 C ATOM 448 C ASP A 29 28.753 -47.915 16.076 1.00 0.00 C ATOM 449 O ASP A 29 27.923 -47.410 15.319 1.00 0.00 O ATOM 450 CB ASP A 29 30.463 -46.203 15.262 1.00 0.00 C ATOM 451 CG ASP A 29 30.649 -46.733 13.842 1.00 0.00 C ATOM 452 OD1 ASP A 29 30.197 -47.856 13.532 1.00 0.00 O ATOM 453 OD2 ASP A 29 31.234 -46.007 13.013 1.00 0.00 O ATOM 0 H ASP A 29 31.056 -49.077 15.715 1.00 0.00 H new ATOM 0 HA ASP A 29 30.068 -46.787 17.287 1.00 0.00 H new ATOM 0 HB2 ASP A 29 29.667 -45.459 15.255 1.00 0.00 H new ATOM 0 HB3 ASP A 29 31.376 -45.690 15.565 1.00 0.00 H new ATOM 458 N CYS A 30 28.493 -49.021 16.764 1.00 0.00 N ATOM 459 CA CYS A 30 27.165 -49.643 16.704 1.00 0.00 C ATOM 460 C CYS A 30 26.742 -49.991 18.139 1.00 0.00 C ATOM 461 O CYS A 30 27.126 -49.302 19.086 1.00 0.00 O ATOM 462 CB CYS A 30 27.243 -50.827 15.734 1.00 0.00 C ATOM 463 SG CYS A 30 27.497 -50.189 14.063 1.00 0.00 S ATOM 0 H CYS A 30 29.166 -49.502 17.361 1.00 0.00 H new ATOM 0 HA CYS A 30 26.388 -48.986 16.313 1.00 0.00 H new ATOM 0 HB2 CYS A 30 28.061 -51.491 16.013 1.00 0.00 H new ATOM 0 HB3 CYS A 30 26.326 -51.414 15.779 1.00 0.00 H new ATOM 468 N ARG A 31 25.925 -51.020 18.338 1.00 0.00 N ATOM 469 CA ARG A 31 25.442 -51.298 19.700 1.00 0.00 C ATOM 470 C ARG A 31 26.464 -52.113 20.506 1.00 0.00 C ATOM 471 O ARG A 31 27.565 -52.419 20.046 1.00 0.00 O ATOM 472 CB ARG A 31 24.048 -51.940 19.643 1.00 0.00 C ATOM 473 CG ARG A 31 24.059 -53.414 19.225 1.00 0.00 C ATOM 474 CD ARG A 31 22.645 -53.953 18.988 1.00 0.00 C ATOM 475 NE ARG A 31 21.902 -54.074 20.250 1.00 0.00 N ATOM 476 CZ ARG A 31 20.732 -54.702 20.296 1.00 0.00 C ATOM 477 NH1 ARG A 31 20.181 -55.215 19.211 1.00 0.00 N ATOM 478 NH2 ARG A 31 20.108 -54.818 21.450 1.00 0.00 N ATOM 0 H ARG A 31 25.591 -51.655 17.613 1.00 0.00 H new ATOM 0 HA ARG A 31 25.336 -50.358 20.242 1.00 0.00 H new ATOM 0 HB2 ARG A 31 23.579 -51.854 20.623 1.00 0.00 H new ATOM 0 HB3 ARG A 31 23.429 -51.379 18.943 1.00 0.00 H new ATOM 0 HG2 ARG A 31 24.648 -53.529 18.315 1.00 0.00 H new ATOM 0 HG3 ARG A 31 24.548 -54.007 19.998 1.00 0.00 H new ATOM 0 HD2 ARG A 31 22.109 -53.289 18.310 1.00 0.00 H new ATOM 0 HD3 ARG A 31 22.701 -54.927 18.502 1.00 0.00 H new ATOM 0 HE ARG A 31 22.290 -53.670 21.103 1.00 0.00 H new ATOM 0 HH11 ARG A 31 20.655 -55.134 18.311 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.282 -55.693 19.273 1.00 0.00 H new ATOM 0 HH21 ARG A 31 20.523 -54.428 22.296 1.00 0.00 H new ATOM 0 HH22 ARG A 31 19.209 -55.298 21.498 1.00 0.00 H new ATOM 492 N TRP A 32 26.102 -52.437 21.741 1.00 0.00 N ATOM 493 CA TRP A 32 27.053 -53.066 22.666 1.00 0.00 C ATOM 494 C TRP A 32 27.641 -54.383 22.151 1.00 0.00 C ATOM 495 O TRP A 32 28.858 -54.560 22.112 1.00 0.00 O ATOM 496 CB TRP A 32 26.301 -53.265 23.986 1.00 0.00 C ATOM 497 CG TRP A 32 27.199 -53.746 25.109 1.00 0.00 C ATOM 498 CD1 TRP A 32 27.121 -54.971 25.777 1.00 0.00 C ATOM 499 CD2 TRP A 32 28.200 -53.043 25.729 1.00 0.00 C ATOM 500 NE1 TRP A 32 28.073 -55.038 26.806 1.00 0.00 N ATOM 501 CE2 TRP A 32 28.714 -53.809 26.738 1.00 0.00 C ATOM 502 CE3 TRP A 32 28.647 -51.791 25.491 1.00 0.00 C ATOM 503 CZ2 TRP A 32 29.692 -53.325 27.540 1.00 0.00 C ATOM 504 CZ3 TRP A 32 29.630 -51.305 26.295 1.00 0.00 C ATOM 505 CH2 TRP A 32 30.145 -52.063 27.307 1.00 0.00 C ATOM 0 H TRP A 32 25.171 -52.280 22.127 1.00 0.00 H new ATOM 0 HA TRP A 32 27.922 -52.419 22.787 1.00 0.00 H new ATOM 0 HB2 TRP A 32 25.834 -52.324 24.278 1.00 0.00 H new ATOM 0 HB3 TRP A 32 25.498 -53.986 23.836 1.00 0.00 H new ATOM 0 HD1 TRP A 32 26.423 -55.759 25.534 1.00 0.00 H new ATOM 0 HE1 TRP A 32 28.252 -55.808 27.451 1.00 0.00 H new ATOM 0 HE3 TRP A 32 28.237 -51.195 24.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 30.101 -53.923 28.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 30.008 -50.307 26.131 1.00 0.00 H new ATOM 0 HH2 TRP A 32 30.925 -51.654 27.933 1.00 0.00 H new ATOM 516 N ARG A 33 26.782 -55.320 21.779 1.00 0.00 N ATOM 517 CA ARG A 33 27.277 -56.651 21.401 1.00 0.00 C ATOM 518 C ARG A 33 27.530 -56.799 19.895 1.00 0.00 C ATOM 519 O ARG A 33 27.505 -57.913 19.373 1.00 0.00 O ATOM 520 CB ARG A 33 26.261 -57.703 21.870 1.00 0.00 C ATOM 521 CG ARG A 33 26.184 -57.773 23.398 1.00 0.00 C ATOM 522 CD ARG A 33 25.253 -58.890 23.862 1.00 0.00 C ATOM 523 NE ARG A 33 25.310 -58.976 25.326 1.00 0.00 N ATOM 524 CZ ARG A 33 24.774 -60.002 25.974 1.00 0.00 C ATOM 525 NH1 ARG A 33 24.144 -60.970 25.334 1.00 0.00 N ATOM 526 NH2 ARG A 33 24.877 -60.056 27.286 1.00 0.00 N ATOM 0 H ARG A 33 25.770 -55.199 21.728 1.00 0.00 H new ATOM 0 HA ARG A 33 28.242 -56.795 21.886 1.00 0.00 H new ATOM 0 HB2 ARG A 33 25.277 -57.464 21.466 1.00 0.00 H new ATOM 0 HB3 ARG A 33 26.539 -58.680 21.474 1.00 0.00 H new ATOM 0 HG2 ARG A 33 27.181 -57.936 23.806 1.00 0.00 H new ATOM 0 HG3 ARG A 33 25.832 -56.819 23.789 1.00 0.00 H new ATOM 0 HD2 ARG A 33 24.232 -58.691 23.535 1.00 0.00 H new ATOM 0 HD3 ARG A 33 25.551 -59.839 23.416 1.00 0.00 H new ATOM 0 HE ARG A 33 25.770 -58.234 25.854 1.00 0.00 H new ATOM 0 HH11 ARG A 33 24.061 -60.940 24.318 1.00 0.00 H new ATOM 0 HH12 ARG A 33 23.741 -61.748 25.856 1.00 0.00 H new ATOM 0 HH21 ARG A 33 25.364 -59.315 27.790 1.00 0.00 H new ATOM 0 HH22 ARG A 33 24.470 -60.839 27.798 1.00 0.00 H new ATOM 540 N TRP A 34 27.792 -55.711 19.177 1.00 0.00 N ATOM 541 CA TRP A 34 28.076 -55.835 17.739 1.00 0.00 C ATOM 542 C TRP A 34 29.525 -55.429 17.454 1.00 0.00 C ATOM 543 O TRP A 34 30.155 -54.671 18.192 1.00 0.00 O ATOM 544 CB TRP A 34 27.101 -54.977 16.921 1.00 0.00 C ATOM 545 CG TRP A 34 25.696 -55.551 16.809 1.00 0.00 C ATOM 546 CD1 TRP A 34 25.097 -56.558 17.582 1.00 0.00 C ATOM 547 CD2 TRP A 34 24.754 -55.200 15.871 1.00 0.00 C ATOM 548 NE1 TRP A 34 23.801 -56.835 17.128 1.00 0.00 N ATOM 549 CE2 TRP A 34 23.634 -55.965 16.064 1.00 0.00 C ATOM 550 CE3 TRP A 34 24.818 -54.280 14.881 1.00 0.00 C ATOM 551 CZ2 TRP A 34 22.554 -55.821 15.262 1.00 0.00 C ATOM 552 CZ3 TRP A 34 23.731 -54.136 14.078 1.00 0.00 C ATOM 553 CH2 TRP A 34 22.613 -54.896 14.267 1.00 0.00 C ATOM 0 H TRP A 34 27.815 -54.760 19.545 1.00 0.00 H new ATOM 0 HA TRP A 34 27.941 -56.875 17.443 1.00 0.00 H new ATOM 0 HB2 TRP A 34 27.040 -53.987 17.373 1.00 0.00 H new ATOM 0 HB3 TRP A 34 27.507 -54.845 15.918 1.00 0.00 H new ATOM 0 HD1 TRP A 34 25.572 -57.053 18.416 1.00 0.00 H new ATOM 0 HE1 TRP A 34 23.137 -57.517 17.495 1.00 0.00 H new ATOM 0 HE3 TRP A 34 25.704 -53.680 14.734 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 21.670 -56.424 15.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 23.752 -53.410 13.279 1.00 0.00 H new ATOM 0 HH2 TRP A 34 21.762 -54.761 13.616 1.00 0.00 H new ATOM 564 N LYS A 35 30.053 -55.966 16.362 1.00 0.00 N ATOM 565 CA LYS A 35 31.451 -55.709 15.996 1.00 0.00 C ATOM 566 C LYS A 35 31.517 -55.044 14.618 1.00 0.00 C ATOM 567 O LYS A 35 30.574 -55.102 13.828 1.00 0.00 O ATOM 568 CB LYS A 35 32.172 -57.058 15.892 1.00 0.00 C ATOM 569 CG LYS A 35 32.347 -57.767 17.236 1.00 0.00 C ATOM 570 CD LYS A 35 32.889 -59.181 17.007 1.00 0.00 C ATOM 571 CE LYS A 35 33.390 -59.822 18.300 1.00 0.00 C ATOM 572 NZ LYS A 35 34.630 -59.151 18.729 1.00 0.00 N ATOM 0 H LYS A 35 29.548 -56.575 15.718 1.00 0.00 H new ATOM 0 HA LYS A 35 31.909 -55.062 16.744 1.00 0.00 H new ATOM 0 HB2 LYS A 35 31.613 -57.708 15.219 1.00 0.00 H new ATOM 0 HB3 LYS A 35 33.153 -56.902 15.443 1.00 0.00 H new ATOM 0 HG2 LYS A 35 33.032 -57.203 17.869 1.00 0.00 H new ATOM 0 HG3 LYS A 35 31.393 -57.813 17.761 1.00 0.00 H new ATOM 0 HD2 LYS A 35 32.105 -59.803 16.575 1.00 0.00 H new ATOM 0 HD3 LYS A 35 33.703 -59.144 16.283 1.00 0.00 H new ATOM 0 HE2 LYS A 35 32.631 -59.740 19.078 1.00 0.00 H new ATOM 0 HE3 LYS A 35 33.573 -60.885 18.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 35.082 -59.706 19.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 35.280 -59.072 17.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 34.405 -58.200 19.086 1.00 0.00 H new ATOM 586 N CYS A 36 32.667 -54.462 14.299 1.00 0.00 N ATOM 587 CA CYS A 36 32.908 -53.993 12.930 1.00 0.00 C ATOM 588 C CYS A 36 33.981 -54.891 12.308 1.00 0.00 C ATOM 589 O CYS A 36 35.139 -54.891 12.727 1.00 0.00 O ATOM 590 CB CYS A 36 33.360 -52.535 13.029 1.00 0.00 C ATOM 591 SG CYS A 36 33.876 -51.871 11.435 1.00 0.00 S ATOM 0 H CYS A 36 33.436 -54.303 14.950 1.00 0.00 H new ATOM 0 HA CYS A 36 32.021 -54.043 12.299 1.00 0.00 H new ATOM 0 HB2 CYS A 36 32.545 -51.930 13.426 1.00 0.00 H new ATOM 0 HB3 CYS A 36 34.186 -52.460 13.736 1.00 0.00 H new ATOM 596 N CYS A 37 33.605 -55.687 11.315 1.00 0.00 N ATOM 597 CA CYS A 37 34.560 -56.664 10.772 1.00 0.00 C ATOM 598 C CYS A 37 35.557 -55.996 9.823 1.00 0.00 C ATOM 599 O CYS A 37 35.220 -55.099 9.049 1.00 0.00 O ATOM 600 CB CYS A 37 33.823 -57.753 9.987 1.00 0.00 C ATOM 601 SG CYS A 37 32.992 -58.930 11.070 1.00 0.00 S ATOM 0 H CYS A 37 32.683 -55.684 10.878 1.00 0.00 H new ATOM 0 HA CYS A 37 35.092 -57.097 11.619 1.00 0.00 H new ATOM 0 HB2 CYS A 37 33.090 -57.289 9.327 1.00 0.00 H new ATOM 0 HB3 CYS A 37 34.532 -58.284 9.353 1.00 0.00 H new ATOM 606 N LYS A 38 36.793 -56.479 9.865 1.00 0.00 N ATOM 607 CA LYS A 38 37.811 -56.002 8.924 1.00 0.00 C ATOM 608 C LYS A 38 38.211 -57.155 7.998 1.00 0.00 C ATOM 609 O LYS A 38 38.325 -58.307 8.417 1.00 0.00 O ATOM 610 CB LYS A 38 39.025 -55.523 9.730 1.00 0.00 C ATOM 611 CG LYS A 38 40.074 -54.858 8.830 1.00 0.00 C ATOM 612 CD LYS A 38 41.366 -54.508 9.577 1.00 0.00 C ATOM 613 CE LYS A 38 42.150 -55.747 10.020 1.00 0.00 C ATOM 614 NZ LYS A 38 42.648 -56.513 8.862 1.00 0.00 N ATOM 0 H LYS A 38 37.115 -57.187 10.525 1.00 0.00 H new ATOM 0 HA LYS A 38 37.427 -55.180 8.320 1.00 0.00 H new ATOM 0 HB2 LYS A 38 38.700 -54.817 10.494 1.00 0.00 H new ATOM 0 HB3 LYS A 38 39.474 -56.369 10.249 1.00 0.00 H new ATOM 0 HG2 LYS A 38 40.309 -55.525 8.001 1.00 0.00 H new ATOM 0 HG3 LYS A 38 39.652 -53.950 8.399 1.00 0.00 H new ATOM 0 HD2 LYS A 38 41.997 -53.895 8.934 1.00 0.00 H new ATOM 0 HD3 LYS A 38 41.122 -53.906 10.452 1.00 0.00 H new ATOM 0 HE2 LYS A 38 42.990 -55.443 10.645 1.00 0.00 H new ATOM 0 HE3 LYS A 38 41.511 -56.384 10.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 43.505 -57.035 9.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 41.918 -57.185 8.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 42.873 -55.860 8.084 1.00 0.00 H new ATOM 628 N LYS A 39 38.463 -56.841 6.735 1.00 0.00 N ATOM 629 CA LYS A 39 38.928 -57.869 5.793 1.00 0.00 C ATOM 630 C LYS A 39 40.413 -58.207 6.004 1.00 0.00 C ATOM 631 O LYS A 39 41.088 -57.658 6.876 1.00 0.00 O ATOM 632 CB LYS A 39 38.617 -57.408 4.358 1.00 0.00 C ATOM 633 CG LYS A 39 39.537 -56.306 3.807 1.00 0.00 C ATOM 634 CD LYS A 39 39.462 -55.014 4.625 1.00 0.00 C ATOM 635 CE LYS A 39 40.041 -53.799 3.893 1.00 0.00 C ATOM 636 NZ LYS A 39 41.489 -53.946 3.666 1.00 0.00 N ATOM 0 H LYS A 39 38.359 -55.907 6.338 1.00 0.00 H new ATOM 0 HA LYS A 39 38.393 -58.801 5.978 1.00 0.00 H new ATOM 0 HB2 LYS A 39 38.676 -58.272 3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 39 37.588 -57.050 4.324 1.00 0.00 H new ATOM 0 HG2 LYS A 39 40.565 -56.667 3.798 1.00 0.00 H new ATOM 0 HG3 LYS A 39 39.265 -56.094 2.773 1.00 0.00 H new ATOM 0 HD2 LYS A 39 38.421 -54.814 4.880 1.00 0.00 H new ATOM 0 HD3 LYS A 39 39.999 -55.154 5.563 1.00 0.00 H new ATOM 0 HE2 LYS A 39 39.533 -53.672 2.937 1.00 0.00 H new ATOM 0 HE3 LYS A 39 39.853 -52.898 4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 41.730 -53.590 2.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 42.010 -53.402 4.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 41.751 -54.950 3.735 1.00 0.00 H new ATOM 650 N GLY A 40 40.921 -59.145 5.215 1.00 0.00 N ATOM 651 CA GLY A 40 42.287 -59.638 5.441 1.00 0.00 C ATOM 652 C GLY A 40 43.321 -58.914 4.582 1.00 0.00 C ATOM 653 O GLY A 40 43.549 -57.714 4.730 1.00 0.00 O ATOM 0 H GLY A 40 40.429 -59.575 4.431 1.00 0.00 H new ATOM 0 HA2 GLY A 40 42.544 -59.516 6.493 1.00 0.00 H new ATOM 0 HA3 GLY A 40 42.324 -60.706 5.226 1.00 0.00 H new ATOM 657 N SER A 41 43.974 -59.661 3.700 1.00 0.00 N ATOM 658 CA SER A 41 45.062 -59.085 2.898 1.00 0.00 C ATOM 659 C SER A 41 44.509 -58.415 1.637 1.00 0.00 C ATOM 660 O SER A 41 44.633 -58.919 0.519 1.00 0.00 O ATOM 661 CB SER A 41 46.054 -60.196 2.544 1.00 0.00 C ATOM 662 OG SER A 41 46.654 -60.716 3.724 1.00 0.00 O ATOM 0 H SER A 41 43.780 -60.646 3.519 1.00 0.00 H new ATOM 0 HA SER A 41 45.575 -58.315 3.474 1.00 0.00 H new ATOM 0 HB2 SER A 41 45.541 -60.994 2.007 1.00 0.00 H new ATOM 0 HB3 SER A 41 46.824 -59.807 1.878 1.00 0.00 H new ATOM 0 HG SER A 41 47.285 -61.427 3.484 1.00 0.00 H new ATOM 668 N GLY A 42 43.904 -57.253 1.828 1.00 0.00 N ATOM 669 CA GLY A 42 43.350 -56.516 0.691 1.00 0.00 C ATOM 670 C GLY A 42 42.549 -55.325 1.193 1.00 0.00 C ATOM 671 O GLY A 42 41.333 -55.477 1.437 1.00 0.00 O ATOM 672 OXT GLY A 42 43.129 -54.230 1.358 1.00 0.00 O ATOM 0 H GLY A 42 43.783 -56.804 2.736 1.00 0.00 H new ATOM 0 HA2 GLY A 42 44.155 -56.176 0.039 1.00 0.00 H new ATOM 0 HA3 GLY A 42 42.713 -57.171 0.097 1.00 0.00 H new TER 676 GLY A 42