USER MOD reduce.3.24.130724 H: found=0, std=0, add=336, rem=0, adj=15 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 3 GLN : amide:sc= 0 K(o=-1.9,f=-2.8) USER MOD Set 1.2: A 28 MET CE :methyl -176:sc= -1.89 (180deg=-2.06) USER MOD Single : A 1 TYR N :NH3+ -153:sc= 1.49 (180deg=1.1) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ -162:sc= -0.0434 (180deg=-0.355) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 170:sc=-0.00536 (180deg=-0.137) USER MOD Single : A 7 LYS NZ :NH3+ -169:sc=-0.00153 (180deg=-0.117) USER MOD Single : A 10 HIS : no HE2:sc= 1.22 K(o=1.2,f=-3.9!) USER MOD Single : A 14 LYS NZ :NH3+ 143:sc= 1.27 (180deg=1.05) USER MOD Single : A 16 LYS NZ :NH3+ 171:sc=-0.00838 (180deg=-0.138) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -170:sc=-0.00879 (180deg=-0.156) USER MOD Single : A 35 LYS NZ :NH3+ 145:sc= 0.135 (180deg=-2.87!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= 1.28 (180deg=0.448) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 28.137 -46.400 9.983 1.00 0.00 N ATOM 2 CA TYR A 1 29.157 -46.638 8.941 1.00 0.00 C ATOM 3 C TYR A 1 30.280 -45.593 8.973 1.00 0.00 C ATOM 4 O TYR A 1 30.889 -45.283 7.950 1.00 0.00 O ATOM 5 CB TYR A 1 28.474 -46.639 7.568 1.00 0.00 C ATOM 6 CG TYR A 1 27.826 -45.307 7.222 1.00 0.00 C ATOM 7 CD1 TYR A 1 26.569 -45.041 7.644 1.00 0.00 C ATOM 8 CD2 TYR A 1 28.502 -44.382 6.506 1.00 0.00 C ATOM 9 CE1 TYR A 1 26.002 -43.847 7.370 1.00 0.00 C ATOM 10 CE2 TYR A 1 27.936 -43.187 6.234 1.00 0.00 C ATOM 11 CZ TYR A 1 26.684 -42.920 6.667 1.00 0.00 C ATOM 12 OH TYR A 1 26.107 -41.707 6.395 1.00 0.00 O ATOM 0 H1 TYR A 1 27.684 -47.301 10.238 1.00 0.00 H new ATOM 0 H2 TYR A 1 28.590 -45.990 10.825 1.00 0.00 H new ATOM 0 H3 TYR A 1 27.418 -45.741 9.621 1.00 0.00 H new ATOM 0 HA TYR A 1 29.621 -47.605 9.135 1.00 0.00 H new ATOM 0 HB2 TYR A 1 29.210 -46.888 6.803 1.00 0.00 H new ATOM 0 HB3 TYR A 1 27.715 -47.421 7.547 1.00 0.00 H new ATOM 0 HD1 TYR A 1 26.018 -45.785 8.201 1.00 0.00 H new ATOM 0 HD2 TYR A 1 29.498 -44.599 6.150 1.00 0.00 H new ATOM 0 HE1 TYR A 1 25.001 -43.634 7.714 1.00 0.00 H new ATOM 0 HE2 TYR A 1 28.483 -42.445 5.671 1.00 0.00 H new ATOM 0 HH TYR A 1 26.733 -41.155 5.881 1.00 0.00 H new ATOM 24 N LYS A 2 30.565 -45.030 10.137 1.00 0.00 N ATOM 25 CA LYS A 2 31.515 -43.917 10.187 1.00 0.00 C ATOM 26 C LYS A 2 32.919 -44.432 10.514 1.00 0.00 C ATOM 27 O LYS A 2 33.824 -44.369 9.683 1.00 0.00 O ATOM 28 CB LYS A 2 30.989 -42.904 11.212 1.00 0.00 C ATOM 29 CG LYS A 2 31.656 -41.532 11.099 1.00 0.00 C ATOM 30 CD LYS A 2 31.237 -40.799 9.821 1.00 0.00 C ATOM 31 CE LYS A 2 31.759 -39.361 9.805 1.00 0.00 C ATOM 32 NZ LYS A 2 31.111 -38.565 10.863 1.00 0.00 N ATOM 0 H LYS A 2 30.170 -45.309 11.035 1.00 0.00 H new ATOM 0 HA LYS A 2 31.600 -43.420 9.221 1.00 0.00 H new ATOM 0 HB2 LYS A 2 29.913 -42.790 11.081 1.00 0.00 H new ATOM 0 HB3 LYS A 2 31.148 -43.297 12.216 1.00 0.00 H new ATOM 0 HG2 LYS A 2 31.393 -40.928 11.967 1.00 0.00 H new ATOM 0 HG3 LYS A 2 32.739 -41.652 11.110 1.00 0.00 H new ATOM 0 HD2 LYS A 2 31.617 -41.335 8.951 1.00 0.00 H new ATOM 0 HD3 LYS A 2 30.150 -40.794 9.743 1.00 0.00 H new ATOM 0 HE2 LYS A 2 32.839 -39.358 9.950 1.00 0.00 H new ATOM 0 HE3 LYS A 2 31.567 -38.909 8.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 31.231 -37.552 10.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 30.097 -38.793 10.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 31.547 -38.787 11.781 1.00 0.00 H new ATOM 46 N GLN A 3 33.113 -44.955 11.719 1.00 0.00 N ATOM 47 CA GLN A 3 34.441 -45.455 12.093 1.00 0.00 C ATOM 48 C GLN A 3 34.732 -46.827 11.478 1.00 0.00 C ATOM 49 O GLN A 3 35.778 -47.032 10.863 1.00 0.00 O ATOM 50 CB GLN A 3 34.532 -45.514 13.620 1.00 0.00 C ATOM 51 CG GLN A 3 35.958 -45.816 14.085 1.00 0.00 C ATOM 52 CD GLN A 3 36.022 -45.967 15.597 1.00 0.00 C ATOM 53 OE1 GLN A 3 35.722 -47.021 16.154 1.00 0.00 O ATOM 54 NE2 GLN A 3 36.417 -44.912 16.282 1.00 0.00 N ATOM 0 H GLN A 3 32.395 -45.045 12.438 1.00 0.00 H new ATOM 0 HA GLN A 3 35.195 -44.772 11.701 1.00 0.00 H new ATOM 0 HB2 GLN A 3 34.204 -44.564 14.042 1.00 0.00 H new ATOM 0 HB3 GLN A 3 33.855 -46.281 13.997 1.00 0.00 H new ATOM 0 HG2 GLN A 3 36.312 -46.731 13.610 1.00 0.00 H new ATOM 0 HG3 GLN A 3 36.624 -45.014 13.768 1.00 0.00 H new ATOM 0 HE21 GLN A 3 36.660 -44.049 15.795 1.00 0.00 H new ATOM 0 HE22 GLN A 3 36.479 -44.958 17.299 1.00 0.00 H new ATOM 63 N CYS A 4 33.825 -47.781 11.653 1.00 0.00 N ATOM 64 CA CYS A 4 34.077 -49.143 11.156 1.00 0.00 C ATOM 65 C CYS A 4 34.318 -49.185 9.645 1.00 0.00 C ATOM 66 O CYS A 4 35.186 -49.913 9.164 1.00 0.00 O ATOM 67 CB CYS A 4 32.886 -50.024 11.540 1.00 0.00 C ATOM 68 SG CYS A 4 33.083 -51.708 10.915 1.00 0.00 S ATOM 0 H CYS A 4 32.929 -47.651 12.122 1.00 0.00 H new ATOM 0 HA CYS A 4 34.992 -49.516 11.616 1.00 0.00 H new ATOM 0 HB2 CYS A 4 32.783 -50.047 12.625 1.00 0.00 H new ATOM 0 HB3 CYS A 4 31.968 -49.591 11.142 1.00 0.00 H new ATOM 73 N HIS A 5 33.558 -48.411 8.883 1.00 0.00 N ATOM 74 CA HIS A 5 33.738 -48.430 7.428 1.00 0.00 C ATOM 75 C HIS A 5 34.962 -47.619 6.978 1.00 0.00 C ATOM 76 O HIS A 5 35.675 -48.024 6.061 1.00 0.00 O ATOM 77 CB HIS A 5 32.449 -47.922 6.777 1.00 0.00 C ATOM 78 CG HIS A 5 32.406 -48.267 5.307 1.00 0.00 C ATOM 79 ND1 HIS A 5 32.566 -47.354 4.280 1.00 0.00 N ATOM 80 CD2 HIS A 5 32.208 -49.557 4.793 1.00 0.00 C ATOM 81 CE1 HIS A 5 32.453 -48.193 3.202 1.00 0.00 C ATOM 82 NE2 HIS A 5 32.239 -49.532 3.409 1.00 0.00 N ATOM 0 H HIS A 5 32.833 -47.781 9.227 1.00 0.00 H new ATOM 0 HA HIS A 5 33.935 -49.453 7.107 1.00 0.00 H new ATOM 0 HB2 HIS A 5 31.587 -48.359 7.281 1.00 0.00 H new ATOM 0 HB3 HIS A 5 32.377 -46.842 6.902 1.00 0.00 H new ATOM 0 HD2 HIS A 5 32.053 -50.443 5.391 1.00 0.00 H new ATOM 0 HE1 HIS A 5 32.532 -47.803 2.198 1.00 0.00 H new ATOM 0 HE2 HIS A 5 32.133 -50.291 2.736 1.00 0.00 H new ATOM 91 N LYS A 6 35.220 -46.473 7.601 1.00 0.00 N ATOM 92 CA LYS A 6 36.372 -45.660 7.183 1.00 0.00 C ATOM 93 C LYS A 6 37.710 -46.282 7.603 1.00 0.00 C ATOM 94 O LYS A 6 38.702 -46.175 6.883 1.00 0.00 O ATOM 95 CB LYS A 6 36.221 -44.246 7.756 1.00 0.00 C ATOM 96 CG LYS A 6 37.339 -43.322 7.266 1.00 0.00 C ATOM 97 CD LYS A 6 37.147 -41.893 7.779 1.00 0.00 C ATOM 98 CE LYS A 6 38.312 -40.991 7.365 1.00 0.00 C ATOM 99 NZ LYS A 6 38.346 -40.830 5.900 1.00 0.00 N ATOM 0 H LYS A 6 34.672 -46.090 8.372 1.00 0.00 H new ATOM 0 HA LYS A 6 36.383 -45.618 6.094 1.00 0.00 H new ATOM 0 HB2 LYS A 6 35.254 -43.835 7.465 1.00 0.00 H new ATOM 0 HB3 LYS A 6 36.234 -44.290 8.845 1.00 0.00 H new ATOM 0 HG2 LYS A 6 38.303 -43.704 7.602 1.00 0.00 H new ATOM 0 HG3 LYS A 6 37.360 -43.319 6.176 1.00 0.00 H new ATOM 0 HD2 LYS A 6 36.214 -41.487 7.389 1.00 0.00 H new ATOM 0 HD3 LYS A 6 37.061 -41.903 8.866 1.00 0.00 H new ATOM 0 HE2 LYS A 6 38.212 -40.016 7.842 1.00 0.00 H new ATOM 0 HE3 LYS A 6 39.252 -41.420 7.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 39.029 -40.088 5.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 38.631 -41.727 5.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 37.401 -40.561 5.558 1.00 0.00 H new ATOM 113 N LYS A 7 37.759 -46.932 8.760 1.00 0.00 N ATOM 114 CA LYS A 7 39.002 -47.599 9.173 1.00 0.00 C ATOM 115 C LYS A 7 39.359 -48.753 8.232 1.00 0.00 C ATOM 116 O LYS A 7 40.519 -48.922 7.856 1.00 0.00 O ATOM 117 CB LYS A 7 38.836 -48.119 10.605 1.00 0.00 C ATOM 118 CG LYS A 7 38.802 -46.987 11.636 1.00 0.00 C ATOM 119 CD LYS A 7 40.210 -46.466 11.932 1.00 0.00 C ATOM 120 CE LYS A 7 40.198 -45.317 12.941 1.00 0.00 C ATOM 121 NZ LYS A 7 39.572 -44.120 12.354 1.00 0.00 N ATOM 0 H LYS A 7 36.982 -47.015 9.416 1.00 0.00 H new ATOM 0 HA LYS A 7 39.817 -46.876 9.129 1.00 0.00 H new ATOM 0 HB2 LYS A 7 37.915 -48.698 10.674 1.00 0.00 H new ATOM 0 HB3 LYS A 7 39.657 -48.797 10.840 1.00 0.00 H new ATOM 0 HG2 LYS A 7 38.180 -46.172 11.265 1.00 0.00 H new ATOM 0 HG3 LYS A 7 38.342 -47.344 12.557 1.00 0.00 H new ATOM 0 HD2 LYS A 7 40.824 -47.280 12.318 1.00 0.00 H new ATOM 0 HD3 LYS A 7 40.674 -46.129 11.005 1.00 0.00 H new ATOM 0 HE2 LYS A 7 39.653 -45.617 13.836 1.00 0.00 H new ATOM 0 HE3 LYS A 7 41.217 -45.087 13.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 39.737 -43.302 12.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 39.988 -43.934 11.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 38.549 -44.277 12.253 1.00 0.00 H new ATOM 135 N GLY A 8 38.375 -49.555 7.845 1.00 0.00 N ATOM 136 CA GLY A 8 38.652 -50.656 6.917 1.00 0.00 C ATOM 137 C GLY A 8 38.058 -51.956 7.439 1.00 0.00 C ATOM 138 O GLY A 8 38.766 -52.821 7.954 1.00 0.00 O ATOM 0 H GLY A 8 37.404 -49.473 8.146 1.00 0.00 H new ATOM 0 HA2 GLY A 8 38.235 -50.427 5.937 1.00 0.00 H new ATOM 0 HA3 GLY A 8 39.728 -50.768 6.787 1.00 0.00 H new ATOM 142 N GLY A 9 36.749 -52.111 7.308 1.00 0.00 N ATOM 143 CA GLY A 9 36.123 -53.321 7.843 1.00 0.00 C ATOM 144 C GLY A 9 34.620 -53.343 7.603 1.00 0.00 C ATOM 145 O GLY A 9 34.036 -52.433 7.015 1.00 0.00 O ATOM 0 H GLY A 9 36.118 -51.448 6.857 1.00 0.00 H new ATOM 0 HA2 GLY A 9 36.576 -54.198 7.381 1.00 0.00 H new ATOM 0 HA3 GLY A 9 36.320 -53.387 8.913 1.00 0.00 H new ATOM 149 N HIS A 10 33.986 -54.404 8.078 1.00 0.00 N ATOM 150 CA HIS A 10 32.531 -54.503 7.943 1.00 0.00 C ATOM 151 C HIS A 10 31.956 -55.003 9.265 1.00 0.00 C ATOM 152 O HIS A 10 32.555 -55.822 9.964 1.00 0.00 O ATOM 153 CB HIS A 10 32.201 -55.463 6.796 1.00 0.00 C ATOM 154 CG HIS A 10 30.792 -55.280 6.273 1.00 0.00 C ATOM 155 ND1 HIS A 10 30.504 -54.637 5.083 1.00 0.00 N ATOM 156 CD2 HIS A 10 29.614 -55.763 6.866 1.00 0.00 C ATOM 157 CE1 HIS A 10 29.143 -54.786 5.055 1.00 0.00 C ATOM 158 NE2 HIS A 10 28.517 -55.442 6.083 1.00 0.00 N ATOM 0 H HIS A 10 34.435 -55.190 8.548 1.00 0.00 H new ATOM 0 HA HIS A 10 32.092 -53.532 7.713 1.00 0.00 H new ATOM 0 HB2 HIS A 10 32.910 -55.309 5.982 1.00 0.00 H new ATOM 0 HB3 HIS A 10 32.327 -56.490 7.139 1.00 0.00 H new ATOM 0 HD1 HIS A 10 31.127 -54.182 4.416 1.00 0.00 H new ATOM 0 HD2 HIS A 10 29.570 -56.306 7.798 1.00 0.00 H new ATOM 0 HE1 HIS A 10 28.568 -54.390 4.231 1.00 0.00 H new ATOM 167 N CYS A 11 30.784 -54.504 9.620 1.00 0.00 N ATOM 168 CA CYS A 11 30.211 -54.871 10.916 1.00 0.00 C ATOM 169 C CYS A 11 29.548 -56.246 10.875 1.00 0.00 C ATOM 170 O CYS A 11 28.759 -56.569 9.987 1.00 0.00 O ATOM 171 CB CYS A 11 29.195 -53.805 11.311 1.00 0.00 C ATOM 172 SG CYS A 11 28.541 -54.191 12.941 1.00 0.00 S ATOM 0 H CYS A 11 30.223 -53.866 9.056 1.00 0.00 H new ATOM 0 HA CYS A 11 31.012 -54.927 11.654 1.00 0.00 H new ATOM 0 HB2 CYS A 11 29.665 -52.822 11.318 1.00 0.00 H new ATOM 0 HB3 CYS A 11 28.387 -53.767 10.581 1.00 0.00 H new ATOM 177 N PHE A 12 29.863 -57.052 11.877 1.00 0.00 N ATOM 178 CA PHE A 12 29.199 -58.352 12.016 1.00 0.00 C ATOM 179 C PHE A 12 28.902 -58.583 13.501 1.00 0.00 C ATOM 180 O PHE A 12 29.628 -58.089 14.365 1.00 0.00 O ATOM 181 CB PHE A 12 30.119 -59.483 11.544 1.00 0.00 C ATOM 182 CG PHE A 12 30.426 -59.447 10.060 1.00 0.00 C ATOM 183 CD1 PHE A 12 29.590 -60.048 9.185 1.00 0.00 C ATOM 184 CD2 PHE A 12 31.566 -58.874 9.615 1.00 0.00 C ATOM 185 CE1 PHE A 12 29.892 -60.073 7.868 1.00 0.00 C ATOM 186 CE2 PHE A 12 31.868 -58.902 8.299 1.00 0.00 C ATOM 187 CZ PHE A 12 31.030 -59.499 7.425 1.00 0.00 C ATOM 0 H PHE A 12 30.557 -56.842 12.594 1.00 0.00 H new ATOM 0 HA PHE A 12 28.289 -58.350 11.416 1.00 0.00 H new ATOM 0 HB2 PHE A 12 31.055 -59.432 12.100 1.00 0.00 H new ATOM 0 HB3 PHE A 12 29.656 -60.440 11.786 1.00 0.00 H new ATOM 0 HD1 PHE A 12 28.679 -60.509 9.538 1.00 0.00 H new ATOM 0 HD2 PHE A 12 32.236 -58.393 10.312 1.00 0.00 H new ATOM 0 HE1 PHE A 12 29.222 -60.553 7.170 1.00 0.00 H new ATOM 0 HE2 PHE A 12 32.781 -58.446 7.945 1.00 0.00 H new ATOM 0 HZ PHE A 12 31.270 -59.517 6.372 1.00 0.00 H new ATOM 197 N PRO A 13 27.882 -59.365 13.850 1.00 0.00 N ATOM 198 CA PRO A 13 27.612 -59.697 15.252 1.00 0.00 C ATOM 199 C PRO A 13 28.806 -60.358 15.949 1.00 0.00 C ATOM 200 O PRO A 13 29.800 -60.733 15.325 1.00 0.00 O ATOM 201 CB PRO A 13 26.412 -60.635 15.115 1.00 0.00 C ATOM 202 CG PRO A 13 25.723 -60.176 13.829 1.00 0.00 C ATOM 203 CD PRO A 13 26.883 -59.841 12.896 1.00 0.00 C ATOM 0 HA PRO A 13 27.422 -58.827 15.881 1.00 0.00 H new ATOM 0 HB2 PRO A 13 26.726 -61.677 15.049 1.00 0.00 H new ATOM 0 HB3 PRO A 13 25.745 -60.557 15.974 1.00 0.00 H new ATOM 0 HG2 PRO A 13 25.088 -60.959 13.414 1.00 0.00 H new ATOM 0 HG3 PRO A 13 25.086 -59.309 14.004 1.00 0.00 H new ATOM 0 HD2 PRO A 13 27.228 -60.712 12.338 1.00 0.00 H new ATOM 0 HD3 PRO A 13 26.616 -59.079 12.164 1.00 0.00 H new ATOM 211 N LYS A 14 28.726 -60.480 17.265 1.00 0.00 N ATOM 212 CA LYS A 14 29.899 -60.934 18.026 1.00 0.00 C ATOM 213 C LYS A 14 30.125 -62.451 18.013 1.00 0.00 C ATOM 214 O LYS A 14 31.158 -62.924 18.487 1.00 0.00 O ATOM 215 CB LYS A 14 29.784 -60.431 19.469 1.00 0.00 C ATOM 216 CG LYS A 14 28.567 -60.991 20.211 1.00 0.00 C ATOM 217 CD LYS A 14 28.541 -60.458 21.644 1.00 0.00 C ATOM 218 CE LYS A 14 27.293 -60.908 22.406 1.00 0.00 C ATOM 219 NZ LYS A 14 27.280 -62.368 22.607 1.00 0.00 N ATOM 0 H LYS A 14 27.895 -60.281 17.821 1.00 0.00 H new ATOM 0 HA LYS A 14 30.771 -60.511 17.527 1.00 0.00 H new ATOM 0 HB2 LYS A 14 30.689 -60.701 20.014 1.00 0.00 H new ATOM 0 HB3 LYS A 14 29.728 -59.342 19.464 1.00 0.00 H new ATOM 0 HG2 LYS A 14 27.651 -60.708 19.692 1.00 0.00 H new ATOM 0 HG3 LYS A 14 28.605 -62.080 20.219 1.00 0.00 H new ATOM 0 HD2 LYS A 14 29.431 -60.800 22.173 1.00 0.00 H new ATOM 0 HD3 LYS A 14 28.580 -59.369 21.625 1.00 0.00 H new ATOM 0 HE2 LYS A 14 27.255 -60.406 23.373 1.00 0.00 H new ATOM 0 HE3 LYS A 14 26.401 -60.607 21.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 26.881 -62.586 23.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 26.699 -62.815 21.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 28.252 -62.735 22.551 1.00 0.00 H new ATOM 233 N GLU A 15 29.179 -63.228 17.502 1.00 0.00 N ATOM 234 CA GLU A 15 29.289 -64.688 17.628 1.00 0.00 C ATOM 235 C GLU A 15 28.983 -65.400 16.308 1.00 0.00 C ATOM 236 O GLU A 15 28.240 -66.380 16.248 1.00 0.00 O ATOM 237 CB GLU A 15 28.349 -65.117 18.755 1.00 0.00 C ATOM 238 CG GLU A 15 26.880 -64.753 18.499 1.00 0.00 C ATOM 239 CD GLU A 15 26.069 -64.826 19.783 1.00 0.00 C ATOM 240 OE1 GLU A 15 26.371 -64.061 20.725 1.00 0.00 O ATOM 241 OE2 GLU A 15 25.123 -65.638 19.855 1.00 0.00 O ATOM 0 H GLU A 15 28.350 -62.893 17.011 1.00 0.00 H new ATOM 0 HA GLU A 15 30.313 -64.973 17.871 1.00 0.00 H new ATOM 0 HB2 GLU A 15 28.429 -66.195 18.894 1.00 0.00 H new ATOM 0 HB3 GLU A 15 28.674 -64.651 19.685 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.818 -63.748 18.082 1.00 0.00 H new ATOM 0 HG3 GLU A 15 26.457 -65.432 17.758 1.00 0.00 H new ATOM 248 N LYS A 16 29.586 -64.905 15.238 1.00 0.00 N ATOM 249 CA LYS A 16 29.355 -65.500 13.915 1.00 0.00 C ATOM 250 C LYS A 16 30.634 -65.436 13.074 1.00 0.00 C ATOM 251 O LYS A 16 31.655 -64.881 13.482 1.00 0.00 O ATOM 252 CB LYS A 16 28.206 -64.767 13.214 1.00 0.00 C ATOM 253 CG LYS A 16 26.865 -65.069 13.886 1.00 0.00 C ATOM 254 CD LYS A 16 25.704 -64.331 13.220 1.00 0.00 C ATOM 255 CE LYS A 16 25.505 -64.713 11.750 1.00 0.00 C ATOM 256 NZ LYS A 16 25.197 -66.148 11.624 1.00 0.00 N ATOM 0 H LYS A 16 30.226 -64.111 15.249 1.00 0.00 H new ATOM 0 HA LYS A 16 29.080 -66.548 14.035 1.00 0.00 H new ATOM 0 HB2 LYS A 16 28.391 -63.693 13.233 1.00 0.00 H new ATOM 0 HB3 LYS A 16 28.166 -65.066 12.166 1.00 0.00 H new ATOM 0 HG2 LYS A 16 26.678 -66.142 13.852 1.00 0.00 H new ATOM 0 HG3 LYS A 16 26.916 -64.787 14.938 1.00 0.00 H new ATOM 0 HD2 LYS A 16 24.786 -64.541 13.770 1.00 0.00 H new ATOM 0 HD3 LYS A 16 25.878 -63.257 13.289 1.00 0.00 H new ATOM 0 HE2 LYS A 16 24.695 -64.123 11.322 1.00 0.00 H new ATOM 0 HE3 LYS A 16 26.405 -64.478 11.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 24.917 -66.358 10.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 26.039 -66.707 11.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 24.418 -66.394 12.268 1.00 0.00 H new ATOM 270 N ILE A 17 30.590 -66.033 11.890 1.00 0.00 N ATOM 271 CA ILE A 17 31.804 -66.113 11.068 1.00 0.00 C ATOM 272 C ILE A 17 31.898 -64.903 10.141 1.00 0.00 C ATOM 273 O ILE A 17 31.029 -64.660 9.303 1.00 0.00 O ATOM 274 CB ILE A 17 31.791 -67.395 10.219 1.00 0.00 C ATOM 275 CG1 ILE A 17 31.774 -68.643 11.111 1.00 0.00 C ATOM 276 CG2 ILE A 17 33.012 -67.436 9.288 1.00 0.00 C ATOM 277 CD1 ILE A 17 31.495 -69.915 10.309 1.00 0.00 C ATOM 0 H ILE A 17 29.758 -66.459 11.481 1.00 0.00 H new ATOM 0 HA ILE A 17 32.666 -66.128 11.735 1.00 0.00 H new ATOM 0 HB ILE A 17 30.884 -67.388 9.615 1.00 0.00 H new ATOM 0 HG12 ILE A 17 32.733 -68.738 11.620 1.00 0.00 H new ATOM 0 HG13 ILE A 17 31.013 -68.527 11.883 1.00 0.00 H new ATOM 0 HG21 ILE A 17 32.987 -68.350 8.695 1.00 0.00 H new ATOM 0 HG22 ILE A 17 32.993 -66.572 8.624 1.00 0.00 H new ATOM 0 HG23 ILE A 17 33.925 -67.415 9.884 1.00 0.00 H new ATOM 0 HD11 ILE A 17 31.492 -70.774 10.979 1.00 0.00 H new ATOM 0 HD12 ILE A 17 30.524 -69.832 9.821 1.00 0.00 H new ATOM 0 HD13 ILE A 17 32.270 -70.047 9.554 1.00 0.00 H new ATOM 289 N CYS A 18 32.998 -64.176 10.255 1.00 0.00 N ATOM 290 CA CYS A 18 33.307 -63.167 9.241 1.00 0.00 C ATOM 291 C CYS A 18 34.690 -63.491 8.683 1.00 0.00 C ATOM 292 O CYS A 18 35.519 -64.113 9.347 1.00 0.00 O ATOM 293 CB CYS A 18 33.243 -61.755 9.824 1.00 0.00 C ATOM 294 SG CYS A 18 34.573 -61.464 11.001 1.00 0.00 S ATOM 0 H CYS A 18 33.676 -64.256 11.012 1.00 0.00 H new ATOM 0 HA CYS A 18 32.568 -63.192 8.440 1.00 0.00 H new ATOM 0 HB2 CYS A 18 33.304 -61.024 9.017 1.00 0.00 H new ATOM 0 HB3 CYS A 18 32.282 -61.607 10.316 1.00 0.00 H new ATOM 299 N LEU A 19 34.938 -63.099 7.444 1.00 0.00 N ATOM 300 CA LEU A 19 36.226 -63.422 6.822 1.00 0.00 C ATOM 301 C LEU A 19 37.000 -62.107 6.663 1.00 0.00 C ATOM 302 O LEU A 19 36.544 -61.212 5.952 1.00 0.00 O ATOM 303 CB LEU A 19 35.910 -64.095 5.479 1.00 0.00 C ATOM 304 CG LEU A 19 37.093 -64.783 4.780 1.00 0.00 C ATOM 305 CD1 LEU A 19 38.244 -63.822 4.484 1.00 0.00 C ATOM 306 CD2 LEU A 19 37.599 -65.967 5.604 1.00 0.00 C ATOM 0 H LEU A 19 34.291 -62.572 6.858 1.00 0.00 H new ATOM 0 HA LEU A 19 36.842 -64.101 7.411 1.00 0.00 H new ATOM 0 HB2 LEU A 19 35.127 -64.836 5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.502 -63.343 4.804 1.00 0.00 H new ATOM 0 HG LEU A 19 36.717 -65.144 3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 19 39.051 -64.363 3.990 1.00 0.00 H new ATOM 0 HD12 LEU A 19 37.892 -63.022 3.833 1.00 0.00 H new ATOM 0 HD13 LEU A 19 38.611 -63.395 5.417 1.00 0.00 H new ATOM 0 HD21 LEU A 19 38.436 -66.438 5.089 1.00 0.00 H new ATOM 0 HD22 LEU A 19 37.926 -65.616 6.583 1.00 0.00 H new ATOM 0 HD23 LEU A 19 36.796 -66.693 5.729 1.00 0.00 H new ATOM 318 N PRO A 20 38.153 -61.926 7.311 1.00 0.00 N ATOM 319 CA PRO A 20 38.848 -62.998 8.034 1.00 0.00 C ATOM 320 C PRO A 20 38.312 -63.172 9.460 1.00 0.00 C ATOM 321 O PRO A 20 37.684 -62.269 10.013 1.00 0.00 O ATOM 322 CB PRO A 20 40.283 -62.466 8.044 1.00 0.00 C ATOM 323 CG PRO A 20 40.132 -60.945 8.039 1.00 0.00 C ATOM 324 CD PRO A 20 38.927 -60.699 7.136 1.00 0.00 C ATOM 0 HA PRO A 20 38.731 -63.982 7.581 1.00 0.00 H new ATOM 0 HB2 PRO A 20 40.826 -62.807 8.925 1.00 0.00 H new ATOM 0 HB3 PRO A 20 40.840 -62.812 7.173 1.00 0.00 H new ATOM 0 HG2 PRO A 20 39.964 -60.557 9.044 1.00 0.00 H new ATOM 0 HG3 PRO A 20 41.027 -60.456 7.654 1.00 0.00 H new ATOM 0 HD2 PRO A 20 38.364 -59.816 7.440 1.00 0.00 H new ATOM 0 HD3 PRO A 20 39.221 -60.548 6.097 1.00 0.00 H new ATOM 332 N PRO A 21 38.538 -64.328 10.084 1.00 0.00 N ATOM 333 CA PRO A 21 37.908 -64.636 11.369 1.00 0.00 C ATOM 334 C PRO A 21 38.657 -64.028 12.557 1.00 0.00 C ATOM 335 O PRO A 21 38.079 -63.285 13.349 1.00 0.00 O ATOM 336 CB PRO A 21 37.949 -66.167 11.378 1.00 0.00 C ATOM 337 CG PRO A 21 39.157 -66.534 10.516 1.00 0.00 C ATOM 338 CD PRO A 21 39.178 -65.466 9.424 1.00 0.00 C ATOM 0 HA PRO A 21 36.905 -64.221 11.470 1.00 0.00 H new ATOM 0 HB2 PRO A 21 38.055 -66.553 12.392 1.00 0.00 H new ATOM 0 HB3 PRO A 21 37.030 -66.589 10.971 1.00 0.00 H new ATOM 0 HG2 PRO A 21 40.078 -66.526 11.098 1.00 0.00 H new ATOM 0 HG3 PRO A 21 39.055 -67.534 10.093 1.00 0.00 H new ATOM 0 HD2 PRO A 21 40.193 -65.232 9.105 1.00 0.00 H new ATOM 0 HD3 PRO A 21 38.630 -65.782 8.537 1.00 0.00 H new ATOM 346 N SER A 22 39.935 -64.355 12.718 1.00 0.00 N ATOM 347 CA SER A 22 40.650 -63.918 13.924 1.00 0.00 C ATOM 348 C SER A 22 41.373 -62.589 13.693 1.00 0.00 C ATOM 349 O SER A 22 42.588 -62.474 13.857 1.00 0.00 O ATOM 350 CB SER A 22 41.636 -65.014 14.338 1.00 0.00 C ATOM 351 OG SER A 22 40.946 -66.241 14.540 1.00 0.00 O ATOM 0 H SER A 22 40.487 -64.902 12.057 1.00 0.00 H new ATOM 0 HA SER A 22 39.931 -63.752 14.726 1.00 0.00 H new ATOM 0 HB2 SER A 22 42.398 -65.139 13.568 1.00 0.00 H new ATOM 0 HB3 SER A 22 42.152 -64.723 15.253 1.00 0.00 H new ATOM 0 HG SER A 22 41.585 -66.936 14.803 1.00 0.00 H new ATOM 357 N SER A 23 40.616 -61.563 13.331 1.00 0.00 N ATOM 358 CA SER A 23 41.211 -60.236 13.145 1.00 0.00 C ATOM 359 C SER A 23 40.081 -59.211 13.127 1.00 0.00 C ATOM 360 O SER A 23 39.527 -58.885 12.076 1.00 0.00 O ATOM 361 CB SER A 23 41.993 -60.204 11.830 1.00 0.00 C ATOM 362 OG SER A 23 42.544 -58.911 11.617 1.00 0.00 O ATOM 0 H SER A 23 39.611 -61.614 13.162 1.00 0.00 H new ATOM 0 HA SER A 23 41.903 -60.005 13.955 1.00 0.00 H new ATOM 0 HB2 SER A 23 42.790 -60.947 11.854 1.00 0.00 H new ATOM 0 HB3 SER A 23 41.336 -60.468 11.001 1.00 0.00 H new ATOM 0 HG SER A 23 43.043 -58.903 10.774 1.00 0.00 H new ATOM 368 N ASP A 24 39.707 -58.715 14.297 1.00 0.00 N ATOM 369 CA ASP A 24 38.531 -57.842 14.356 1.00 0.00 C ATOM 370 C ASP A 24 38.641 -56.814 15.481 1.00 0.00 C ATOM 371 O ASP A 24 39.391 -56.964 16.446 1.00 0.00 O ATOM 372 CB ASP A 24 37.268 -58.698 14.503 1.00 0.00 C ATOM 373 CG ASP A 24 37.238 -59.509 15.792 1.00 0.00 C ATOM 374 OD1 ASP A 24 37.857 -60.593 15.841 1.00 0.00 O ATOM 375 OD2 ASP A 24 36.579 -59.071 16.759 1.00 0.00 O ATOM 0 H ASP A 24 40.174 -58.888 15.187 1.00 0.00 H new ATOM 0 HA ASP A 24 38.472 -57.277 13.426 1.00 0.00 H new ATOM 0 HB2 ASP A 24 36.392 -58.050 14.469 1.00 0.00 H new ATOM 0 HB3 ASP A 24 37.196 -59.376 13.653 1.00 0.00 H new ATOM 380 N PHE A 25 37.863 -55.750 15.341 1.00 0.00 N ATOM 381 CA PHE A 25 37.842 -54.703 16.366 1.00 0.00 C ATOM 382 C PHE A 25 36.648 -54.923 17.296 1.00 0.00 C ATOM 383 O PHE A 25 35.864 -55.859 17.135 1.00 0.00 O ATOM 384 CB PHE A 25 37.744 -53.338 15.676 1.00 0.00 C ATOM 385 CG PHE A 25 38.946 -53.054 14.796 1.00 0.00 C ATOM 386 CD1 PHE A 25 40.145 -52.785 15.358 1.00 0.00 C ATOM 387 CD2 PHE A 25 38.824 -53.071 13.449 1.00 0.00 C ATOM 388 CE1 PHE A 25 41.218 -52.536 14.577 1.00 0.00 C ATOM 389 CE2 PHE A 25 39.897 -52.820 12.669 1.00 0.00 C ATOM 390 CZ PHE A 25 41.095 -52.554 13.233 1.00 0.00 C ATOM 0 H PHE A 25 37.247 -55.585 14.545 1.00 0.00 H new ATOM 0 HA PHE A 25 38.754 -54.738 16.961 1.00 0.00 H new ATOM 0 HB2 PHE A 25 36.837 -53.302 15.072 1.00 0.00 H new ATOM 0 HB3 PHE A 25 37.656 -52.557 16.431 1.00 0.00 H new ATOM 0 HD1 PHE A 25 40.245 -52.769 16.433 1.00 0.00 H new ATOM 0 HD2 PHE A 25 37.867 -53.286 12.997 1.00 0.00 H new ATOM 0 HE1 PHE A 25 42.176 -52.322 15.028 1.00 0.00 H new ATOM 0 HE2 PHE A 25 39.797 -52.832 11.594 1.00 0.00 H new ATOM 0 HZ PHE A 25 41.954 -52.356 12.609 1.00 0.00 H new ATOM 400 N GLY A 26 36.506 -54.057 18.290 1.00 0.00 N ATOM 401 CA GLY A 26 35.424 -54.243 19.261 1.00 0.00 C ATOM 402 C GLY A 26 34.194 -53.440 18.857 1.00 0.00 C ATOM 403 O GLY A 26 33.741 -53.499 17.715 1.00 0.00 O ATOM 0 H GLY A 26 37.101 -53.244 18.448 1.00 0.00 H new ATOM 0 HA2 GLY A 26 35.168 -55.300 19.329 1.00 0.00 H new ATOM 0 HA3 GLY A 26 35.759 -53.931 20.250 1.00 0.00 H new ATOM 407 N LYS A 27 33.642 -52.678 19.792 1.00 0.00 N ATOM 408 CA LYS A 27 32.482 -51.854 19.442 1.00 0.00 C ATOM 409 C LYS A 27 32.974 -50.570 18.772 1.00 0.00 C ATOM 410 O LYS A 27 33.585 -49.700 19.391 1.00 0.00 O ATOM 411 CB LYS A 27 31.606 -51.588 20.675 1.00 0.00 C ATOM 412 CG LYS A 27 32.289 -50.735 21.747 1.00 0.00 C ATOM 413 CD LYS A 27 31.399 -50.617 22.986 1.00 0.00 C ATOM 414 CE LYS A 27 31.982 -49.633 24.001 1.00 0.00 C ATOM 415 NZ LYS A 27 33.315 -50.076 24.447 1.00 0.00 N ATOM 0 H LYS A 27 33.958 -52.609 20.760 1.00 0.00 H new ATOM 0 HA LYS A 27 31.845 -52.383 18.733 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.690 -51.090 20.357 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.315 -52.542 21.114 1.00 0.00 H new ATOM 0 HG2 LYS A 27 33.245 -51.181 22.020 1.00 0.00 H new ATOM 0 HG3 LYS A 27 32.502 -49.743 21.349 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.403 -50.289 22.690 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.287 -51.597 23.450 1.00 0.00 H new ATOM 0 HE2 LYS A 27 32.053 -48.641 23.554 1.00 0.00 H new ATOM 0 HE3 LYS A 27 31.315 -49.549 24.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 33.622 -49.496 25.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 33.271 -51.074 24.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 33.995 -49.971 23.667 1.00 0.00 H new ATOM 429 N MET A 28 32.735 -50.473 17.474 1.00 0.00 N ATOM 430 CA MET A 28 33.238 -49.321 16.720 1.00 0.00 C ATOM 431 C MET A 28 32.045 -48.423 16.381 1.00 0.00 C ATOM 432 O MET A 28 31.335 -47.962 17.276 1.00 0.00 O ATOM 433 CB MET A 28 33.987 -49.857 15.494 1.00 0.00 C ATOM 434 CG MET A 28 35.313 -50.519 15.870 1.00 0.00 C ATOM 435 SD MET A 28 36.160 -51.065 14.377 1.00 0.00 S ATOM 436 CE MET A 28 36.598 -49.478 13.652 1.00 0.00 C ATOM 0 H MET A 28 32.211 -51.155 16.926 1.00 0.00 H new ATOM 0 HA MET A 28 33.943 -48.710 17.284 1.00 0.00 H new ATOM 0 HB2 MET A 28 33.358 -50.579 14.973 1.00 0.00 H new ATOM 0 HB3 MET A 28 34.176 -49.038 14.799 1.00 0.00 H new ATOM 0 HG2 MET A 28 35.939 -49.816 16.419 1.00 0.00 H new ATOM 0 HG3 MET A 28 35.133 -51.368 16.529 1.00 0.00 H new ATOM 0 HE1 MET A 28 37.068 -49.639 12.682 1.00 0.00 H new ATOM 0 HE2 MET A 28 35.699 -48.876 13.524 1.00 0.00 H new ATOM 0 HE3 MET A 28 37.293 -48.957 14.310 1.00 0.00 H new ATOM 446 N ASP A 29 31.794 -48.174 15.102 1.00 0.00 N ATOM 447 CA ASP A 29 30.595 -47.413 14.733 1.00 0.00 C ATOM 448 C ASP A 29 29.518 -48.396 14.271 1.00 0.00 C ATOM 449 O ASP A 29 29.121 -48.429 13.106 1.00 0.00 O ATOM 450 CB ASP A 29 30.965 -46.403 13.644 1.00 0.00 C ATOM 451 CG ASP A 29 29.808 -45.475 13.307 1.00 0.00 C ATOM 452 OD1 ASP A 29 29.626 -44.461 14.013 1.00 0.00 O ATOM 453 OD2 ASP A 29 29.084 -45.747 12.326 1.00 0.00 O ATOM 0 H ASP A 29 32.379 -48.474 14.322 1.00 0.00 H new ATOM 0 HA ASP A 29 30.200 -46.855 15.582 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.819 -45.812 13.974 1.00 0.00 H new ATOM 0 HB3 ASP A 29 31.275 -46.937 12.745 1.00 0.00 H new ATOM 458 N CYS A 30 29.045 -49.219 15.196 1.00 0.00 N ATOM 459 CA CYS A 30 28.021 -50.201 14.836 1.00 0.00 C ATOM 460 C CYS A 30 27.093 -50.401 16.037 1.00 0.00 C ATOM 461 O CYS A 30 26.773 -49.449 16.750 1.00 0.00 O ATOM 462 CB CYS A 30 28.729 -51.482 14.390 1.00 0.00 C ATOM 463 SG CYS A 30 27.547 -52.604 13.629 1.00 0.00 S ATOM 0 H CYS A 30 29.339 -49.232 16.173 1.00 0.00 H new ATOM 0 HA CYS A 30 27.397 -49.868 14.007 1.00 0.00 H new ATOM 0 HB2 CYS A 30 29.522 -51.241 13.682 1.00 0.00 H new ATOM 0 HB3 CYS A 30 29.201 -51.964 15.246 1.00 0.00 H new ATOM 468 N ARG A 31 26.639 -51.623 16.286 1.00 0.00 N ATOM 469 CA ARG A 31 25.762 -51.836 17.438 1.00 0.00 C ATOM 470 C ARG A 31 26.598 -52.008 18.707 1.00 0.00 C ATOM 471 O ARG A 31 27.793 -52.307 18.668 1.00 0.00 O ATOM 472 CB ARG A 31 24.866 -53.051 17.169 1.00 0.00 C ATOM 473 CG ARG A 31 23.699 -53.094 18.156 1.00 0.00 C ATOM 474 CD ARG A 31 22.744 -54.250 17.868 1.00 0.00 C ATOM 475 NE ARG A 31 21.656 -54.213 18.851 1.00 0.00 N ATOM 476 CZ ARG A 31 20.795 -55.216 18.952 1.00 0.00 C ATOM 477 NH1 ARG A 31 20.893 -56.283 18.180 1.00 0.00 N ATOM 478 NH2 ARG A 31 19.824 -55.145 19.840 1.00 0.00 N ATOM 0 H ARG A 31 26.850 -52.454 15.733 1.00 0.00 H new ATOM 0 HA ARG A 31 25.120 -50.968 17.590 1.00 0.00 H new ATOM 0 HB2 ARG A 31 24.484 -53.008 16.149 1.00 0.00 H new ATOM 0 HB3 ARG A 31 25.452 -53.966 17.252 1.00 0.00 H new ATOM 0 HG2 ARG A 31 24.086 -53.189 19.170 1.00 0.00 H new ATOM 0 HG3 ARG A 31 23.152 -52.152 18.110 1.00 0.00 H new ATOM 0 HD2 ARG A 31 22.344 -54.168 16.857 1.00 0.00 H new ATOM 0 HD3 ARG A 31 23.273 -55.201 17.925 1.00 0.00 H new ATOM 0 HE ARG A 31 21.561 -53.404 19.465 1.00 0.00 H new ATOM 0 HH11 ARG A 31 21.642 -56.346 17.490 1.00 0.00 H new ATOM 0 HH12 ARG A 31 20.220 -57.044 18.274 1.00 0.00 H new ATOM 0 HH21 ARG A 31 19.741 -54.325 20.440 1.00 0.00 H new ATOM 0 HH22 ARG A 31 19.155 -55.910 19.927 1.00 0.00 H new ATOM 492 N TRP A 32 25.954 -51.809 19.846 1.00 0.00 N ATOM 493 CA TRP A 32 26.656 -51.890 21.131 1.00 0.00 C ATOM 494 C TRP A 32 27.388 -53.219 21.348 1.00 0.00 C ATOM 495 O TRP A 32 28.479 -53.254 21.915 1.00 0.00 O ATOM 496 CB TRP A 32 25.592 -51.656 22.207 1.00 0.00 C ATOM 497 CG TRP A 32 26.167 -51.601 23.605 1.00 0.00 C ATOM 498 CD1 TRP A 32 25.895 -52.487 24.651 1.00 0.00 C ATOM 499 CD2 TRP A 32 27.007 -50.652 24.123 1.00 0.00 C ATOM 500 NE1 TRP A 32 26.571 -52.098 25.816 1.00 0.00 N ATOM 501 CE2 TRP A 32 27.245 -50.948 25.433 1.00 0.00 C ATOM 502 CE3 TRP A 32 27.543 -49.568 23.533 1.00 0.00 C ATOM 503 CZ2 TRP A 32 28.035 -50.155 26.183 1.00 0.00 C ATOM 504 CZ3 TRP A 32 28.338 -48.770 24.287 1.00 0.00 C ATOM 505 CH2 TRP A 32 28.581 -49.060 25.596 1.00 0.00 C ATOM 0 H TRP A 32 24.960 -51.593 19.915 1.00 0.00 H new ATOM 0 HA TRP A 32 27.447 -51.141 21.167 1.00 0.00 H new ATOM 0 HB2 TRP A 32 25.071 -50.722 21.998 1.00 0.00 H new ATOM 0 HB3 TRP A 32 24.850 -52.453 22.156 1.00 0.00 H new ATOM 0 HD1 TRP A 32 25.253 -53.352 24.573 1.00 0.00 H new ATOM 0 HE1 TRP A 32 26.568 -52.553 26.729 1.00 0.00 H new ATOM 0 HE3 TRP A 32 27.347 -49.342 22.495 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 28.228 -50.384 27.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 28.785 -47.892 23.844 1.00 0.00 H new ATOM 0 HH2 TRP A 32 29.218 -48.408 26.175 1.00 0.00 H new ATOM 516 N ARG A 33 26.788 -54.318 20.912 1.00 0.00 N ATOM 517 CA ARG A 33 27.414 -55.631 21.126 1.00 0.00 C ATOM 518 C ARG A 33 27.923 -56.270 19.826 1.00 0.00 C ATOM 519 O ARG A 33 28.236 -57.461 19.803 1.00 0.00 O ATOM 520 CB ARG A 33 26.397 -56.565 21.791 1.00 0.00 C ATOM 521 CG ARG A 33 25.980 -56.067 23.177 1.00 0.00 C ATOM 522 CD ARG A 33 24.954 -57.007 23.809 1.00 0.00 C ATOM 523 NE ARG A 33 24.569 -56.486 25.124 1.00 0.00 N ATOM 524 CZ ARG A 33 23.529 -56.989 25.774 1.00 0.00 C ATOM 525 NH1 ARG A 33 22.805 -57.967 25.260 1.00 0.00 N ATOM 526 NH2 ARG A 33 23.211 -56.502 26.956 1.00 0.00 N ATOM 0 H ARG A 33 25.894 -54.338 20.421 1.00 0.00 H new ATOM 0 HA ARG A 33 28.283 -55.479 21.766 1.00 0.00 H new ATOM 0 HB2 ARG A 33 25.515 -56.651 21.156 1.00 0.00 H new ATOM 0 HB3 ARG A 33 26.825 -57.564 21.878 1.00 0.00 H new ATOM 0 HG2 ARG A 33 26.857 -55.994 23.820 1.00 0.00 H new ATOM 0 HG3 ARG A 33 25.559 -55.065 23.096 1.00 0.00 H new ATOM 0 HD2 ARG A 33 24.077 -57.092 23.167 1.00 0.00 H new ATOM 0 HD3 ARG A 33 25.374 -58.008 23.910 1.00 0.00 H new ATOM 0 HE ARG A 33 25.107 -55.728 25.543 1.00 0.00 H new ATOM 0 HH11 ARG A 33 23.042 -58.350 24.345 1.00 0.00 H new ATOM 0 HH12 ARG A 33 22.009 -58.339 25.778 1.00 0.00 H new ATOM 0 HH21 ARG A 33 23.763 -55.746 27.361 1.00 0.00 H new ATOM 0 HH22 ARG A 33 22.413 -56.881 27.466 1.00 0.00 H new ATOM 540 N TRP A 34 28.024 -55.514 18.738 1.00 0.00 N ATOM 541 CA TRP A 34 28.528 -56.098 17.487 1.00 0.00 C ATOM 542 C TRP A 34 29.963 -55.632 17.237 1.00 0.00 C ATOM 543 O TRP A 34 30.380 -54.558 17.670 1.00 0.00 O ATOM 544 CB TRP A 34 27.626 -55.682 16.320 1.00 0.00 C ATOM 545 CG TRP A 34 26.257 -56.341 16.338 1.00 0.00 C ATOM 546 CD1 TRP A 34 25.706 -57.170 17.326 1.00 0.00 C ATOM 547 CD2 TRP A 34 25.307 -56.263 15.350 1.00 0.00 C ATOM 548 NE1 TRP A 34 24.425 -57.598 16.958 1.00 0.00 N ATOM 549 CE2 TRP A 34 24.224 -57.008 15.720 1.00 0.00 C ATOM 550 CE3 TRP A 34 25.340 -55.604 14.174 1.00 0.00 C ATOM 551 CZ2 TRP A 34 23.147 -57.107 14.915 1.00 0.00 C ATOM 552 CZ3 TRP A 34 24.252 -55.696 13.369 1.00 0.00 C ATOM 553 CH2 TRP A 34 23.170 -56.438 13.735 1.00 0.00 C ATOM 0 H TRP A 34 27.774 -54.526 18.688 1.00 0.00 H new ATOM 0 HA TRP A 34 28.520 -57.185 17.569 1.00 0.00 H new ATOM 0 HB2 TRP A 34 27.498 -54.600 16.340 1.00 0.00 H new ATOM 0 HB3 TRP A 34 28.125 -55.927 15.382 1.00 0.00 H new ATOM 0 HD1 TRP A 34 26.203 -57.441 18.246 1.00 0.00 H new ATOM 0 HE1 TRP A 34 23.789 -58.202 17.479 1.00 0.00 H new ATOM 0 HE3 TRP A 34 26.203 -55.023 13.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 22.292 -57.701 15.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 24.244 -55.173 12.424 1.00 0.00 H new ATOM 0 HH2 TRP A 34 22.317 -56.495 13.075 1.00 0.00 H new ATOM 564 N LYS A 35 30.731 -56.458 16.538 1.00 0.00 N ATOM 565 CA LYS A 35 32.147 -56.136 16.324 1.00 0.00 C ATOM 566 C LYS A 35 32.413 -55.779 14.859 1.00 0.00 C ATOM 567 O LYS A 35 31.597 -56.018 13.970 1.00 0.00 O ATOM 568 CB LYS A 35 33.009 -57.332 16.741 1.00 0.00 C ATOM 569 CG LYS A 35 32.872 -57.624 18.239 1.00 0.00 C ATOM 570 CD LYS A 35 33.930 -58.596 18.777 1.00 0.00 C ATOM 571 CE LYS A 35 33.777 -60.035 18.274 1.00 0.00 C ATOM 572 NZ LYS A 35 34.176 -60.147 16.861 1.00 0.00 N ATOM 0 H LYS A 35 30.415 -57.332 16.118 1.00 0.00 H new ATOM 0 HA LYS A 35 32.405 -55.269 16.933 1.00 0.00 H new ATOM 0 HB2 LYS A 35 32.715 -58.212 16.169 1.00 0.00 H new ATOM 0 HB3 LYS A 35 34.053 -57.131 16.502 1.00 0.00 H new ATOM 0 HG2 LYS A 35 32.939 -56.686 18.791 1.00 0.00 H new ATOM 0 HG3 LYS A 35 31.881 -58.037 18.431 1.00 0.00 H new ATOM 0 HD2 LYS A 35 34.918 -58.229 18.499 1.00 0.00 H new ATOM 0 HD3 LYS A 35 33.885 -58.597 19.866 1.00 0.00 H new ATOM 0 HE2 LYS A 35 34.387 -60.703 18.882 1.00 0.00 H new ATOM 0 HE3 LYS A 35 32.742 -60.356 18.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 34.628 -61.070 16.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 33.335 -60.063 16.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 34.847 -59.387 16.628 1.00 0.00 H new ATOM 586 N CYS A 36 33.577 -55.194 14.606 1.00 0.00 N ATOM 587 CA CYS A 36 33.905 -54.762 13.243 1.00 0.00 C ATOM 588 C CYS A 36 35.087 -55.589 12.738 1.00 0.00 C ATOM 589 O CYS A 36 36.202 -55.484 13.249 1.00 0.00 O ATOM 590 CB CYS A 36 34.245 -53.272 13.334 1.00 0.00 C ATOM 591 SG CYS A 36 34.690 -52.576 11.733 1.00 0.00 S ATOM 0 H CYS A 36 34.297 -55.009 15.304 1.00 0.00 H new ATOM 0 HA CYS A 36 33.083 -54.909 12.542 1.00 0.00 H new ATOM 0 HB2 CYS A 36 33.390 -52.730 13.739 1.00 0.00 H new ATOM 0 HB3 CYS A 36 35.071 -53.132 14.031 1.00 0.00 H new ATOM 596 N CYS A 37 34.861 -56.428 11.735 1.00 0.00 N ATOM 597 CA CYS A 37 35.953 -57.290 11.262 1.00 0.00 C ATOM 598 C CYS A 37 36.912 -56.497 10.373 1.00 0.00 C ATOM 599 O CYS A 37 36.518 -55.597 9.633 1.00 0.00 O ATOM 600 CB CYS A 37 35.397 -58.497 10.504 1.00 0.00 C ATOM 601 SG CYS A 37 34.480 -59.563 11.632 1.00 0.00 S ATOM 0 H CYS A 37 33.972 -56.534 11.246 1.00 0.00 H new ATOM 0 HA CYS A 37 36.504 -57.653 12.129 1.00 0.00 H new ATOM 0 HB2 CYS A 37 34.746 -58.162 9.697 1.00 0.00 H new ATOM 0 HB3 CYS A 37 36.212 -59.056 10.044 1.00 0.00 H new ATOM 606 N LYS A 38 38.193 -56.826 10.468 1.00 0.00 N ATOM 607 CA LYS A 38 39.214 -56.041 9.766 1.00 0.00 C ATOM 608 C LYS A 38 39.460 -56.616 8.370 1.00 0.00 C ATOM 609 O LYS A 38 39.841 -57.775 8.205 1.00 0.00 O ATOM 610 CB LYS A 38 40.482 -56.073 10.625 1.00 0.00 C ATOM 611 CG LYS A 38 41.624 -55.239 10.039 1.00 0.00 C ATOM 612 CD LYS A 38 42.843 -55.301 10.961 1.00 0.00 C ATOM 613 CE LYS A 38 44.018 -54.516 10.378 1.00 0.00 C ATOM 614 NZ LYS A 38 45.184 -54.613 11.274 1.00 0.00 N ATOM 0 H LYS A 38 38.551 -57.612 11.010 1.00 0.00 H new ATOM 0 HA LYS A 38 38.890 -55.010 9.626 1.00 0.00 H new ATOM 0 HB2 LYS A 38 40.247 -55.705 11.624 1.00 0.00 H new ATOM 0 HB3 LYS A 38 40.813 -57.106 10.735 1.00 0.00 H new ATOM 0 HG2 LYS A 38 41.887 -55.612 9.049 1.00 0.00 H new ATOM 0 HG3 LYS A 38 41.304 -54.205 9.915 1.00 0.00 H new ATOM 0 HD2 LYS A 38 42.583 -54.898 11.940 1.00 0.00 H new ATOM 0 HD3 LYS A 38 43.136 -56.340 11.112 1.00 0.00 H new ATOM 0 HE2 LYS A 38 44.273 -54.906 9.393 1.00 0.00 H new ATOM 0 HE3 LYS A 38 43.737 -53.471 10.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 45.978 -54.076 10.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 44.940 -54.221 12.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 45.458 -55.611 11.380 1.00 0.00 H new ATOM 628 N LYS A 39 39.243 -55.790 7.357 1.00 0.00 N ATOM 629 CA LYS A 39 39.443 -56.248 5.977 1.00 0.00 C ATOM 630 C LYS A 39 40.299 -55.236 5.217 1.00 0.00 C ATOM 631 O LYS A 39 41.450 -55.491 4.867 1.00 0.00 O ATOM 632 CB LYS A 39 38.089 -56.369 5.274 1.00 0.00 C ATOM 633 CG LYS A 39 37.142 -57.372 5.925 1.00 0.00 C ATOM 634 CD LYS A 39 35.827 -57.304 5.159 1.00 0.00 C ATOM 635 CE LYS A 39 34.825 -58.340 5.654 1.00 0.00 C ATOM 636 NZ LYS A 39 33.619 -58.257 4.815 1.00 0.00 N ATOM 0 H LYS A 39 38.936 -54.822 7.452 1.00 0.00 H new ATOM 0 HA LYS A 39 39.942 -57.217 5.995 1.00 0.00 H new ATOM 0 HB2 LYS A 39 37.610 -55.390 5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 39 38.254 -56.660 4.237 1.00 0.00 H new ATOM 0 HG2 LYS A 39 37.560 -58.378 5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 39 36.989 -57.131 6.977 1.00 0.00 H new ATOM 0 HD2 LYS A 39 35.399 -56.307 5.262 1.00 0.00 H new ATOM 0 HD3 LYS A 39 36.017 -57.462 4.097 1.00 0.00 H new ATOM 0 HE2 LYS A 39 35.256 -59.340 5.601 1.00 0.00 H new ATOM 0 HE3 LYS A 39 34.574 -58.156 6.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 32.794 -58.579 5.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 33.473 -57.272 4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 33.737 -58.861 3.977 1.00 0.00 H new ATOM 650 N GLY A 40 39.701 -54.090 4.926 1.00 0.00 N ATOM 651 CA GLY A 40 40.345 -53.115 4.044 1.00 0.00 C ATOM 652 C GLY A 40 39.318 -52.593 3.044 1.00 0.00 C ATOM 653 O GLY A 40 39.439 -52.799 1.837 1.00 0.00 O ATOM 0 H GLY A 40 38.786 -53.811 5.279 1.00 0.00 H new ATOM 0 HA2 GLY A 40 40.753 -52.291 4.629 1.00 0.00 H new ATOM 0 HA3 GLY A 40 41.180 -53.577 3.518 1.00 0.00 H new ATOM 657 N SER A 41 38.292 -51.931 3.567 1.00 0.00 N ATOM 658 CA SER A 41 37.194 -51.429 2.726 1.00 0.00 C ATOM 659 C SER A 41 36.395 -52.579 2.107 1.00 0.00 C ATOM 660 O SER A 41 36.674 -53.042 1.001 1.00 0.00 O ATOM 661 CB SER A 41 37.715 -50.454 1.666 1.00 0.00 C ATOM 662 OG SER A 41 36.626 -49.854 0.978 1.00 0.00 O ATOM 0 H SER A 41 38.191 -51.727 4.561 1.00 0.00 H new ATOM 0 HA SER A 41 36.507 -50.874 3.365 1.00 0.00 H new ATOM 0 HB2 SER A 41 38.326 -49.684 2.138 1.00 0.00 H new ATOM 0 HB3 SER A 41 38.356 -50.981 0.959 1.00 0.00 H new ATOM 0 HG SER A 41 36.969 -49.231 0.303 1.00 0.00 H new ATOM 668 N GLY A 42 35.380 -53.045 2.821 1.00 0.00 N ATOM 669 CA GLY A 42 34.569 -54.141 2.287 1.00 0.00 C ATOM 670 C GLY A 42 33.486 -54.544 3.279 1.00 0.00 C ATOM 671 O GLY A 42 32.612 -53.707 3.600 1.00 0.00 O ATOM 672 OXT GLY A 42 33.497 -55.705 3.741 1.00 0.00 O ATOM 0 H GLY A 42 35.101 -52.700 3.739 1.00 0.00 H new ATOM 0 HA2 GLY A 42 34.111 -53.836 1.346 1.00 0.00 H new ATOM 0 HA3 GLY A 42 35.206 -54.998 2.069 1.00 0.00 H new TER 676 GLY A 42