USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 301 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0551) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.00021) USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -0.0144 (180deg=-0.234) USER MOD Single : A 7 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0629) USER MOD Single : A 10 HIS : no HE2:sc= 0.349 K(o=0.35,f=-1.4) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -169:sc=-0.00494 (180deg=-0.155) USER MOD Single : A 22 SER OG : rot 60:sc= 0.377 USER MOD Single : A 23 SER OG : rot -7:sc= 1.01 USER MOD Single : A 27 LYS NZ :NH3+ -169:sc=-0.00955 (180deg=-0.147) USER MOD Single : A 28 MET CE :methyl 177:sc= -1.51 (180deg=-1.72) USER MOD Single : A 35 LYS NZ :NH3+ -154:sc= 0.119 (180deg=0.00674) USER MOD Single : A 38 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0971) USER MOD ----------------------------------------------------------------- ATOM 24 N LYS A 2 29.866 -44.109 10.585 1.00 0.00 N ATOM 25 CA LYS A 2 30.659 -42.900 10.843 1.00 0.00 C ATOM 26 C LYS A 2 32.130 -43.277 11.037 1.00 0.00 C ATOM 27 O LYS A 2 32.977 -42.978 10.195 1.00 0.00 O ATOM 28 CB LYS A 2 30.118 -42.165 12.077 1.00 0.00 C ATOM 29 CG LYS A 2 28.692 -41.644 11.878 1.00 0.00 C ATOM 30 CD LYS A 2 28.218 -40.907 13.133 1.00 0.00 C ATOM 31 CE LYS A 2 26.761 -40.453 13.025 1.00 0.00 C ATOM 32 NZ LYS A 2 26.607 -39.439 11.967 1.00 0.00 N ATOM 0 HA LYS A 2 30.581 -42.230 9.987 1.00 0.00 H new ATOM 0 HB2 LYS A 2 30.138 -42.839 12.934 1.00 0.00 H new ATOM 0 HB3 LYS A 2 30.776 -41.329 12.314 1.00 0.00 H new ATOM 0 HG2 LYS A 2 28.659 -40.973 11.019 1.00 0.00 H new ATOM 0 HG3 LYS A 2 28.021 -42.475 11.660 1.00 0.00 H new ATOM 0 HD2 LYS A 2 28.329 -41.560 13.999 1.00 0.00 H new ATOM 0 HD3 LYS A 2 28.855 -40.039 13.304 1.00 0.00 H new ATOM 0 HE2 LYS A 2 26.123 -41.310 12.809 1.00 0.00 H new ATOM 0 HE3 LYS A 2 26.431 -40.043 13.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 25.639 -39.059 11.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 27.286 -38.667 12.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 26.787 -39.875 11.040 1.00 0.00 H new ATOM 46 N GLN A 3 32.450 -43.931 12.147 1.00 0.00 N ATOM 47 CA GLN A 3 33.851 -44.270 12.425 1.00 0.00 C ATOM 48 C GLN A 3 34.357 -45.387 11.509 1.00 0.00 C ATOM 49 O GLN A 3 35.417 -45.268 10.894 1.00 0.00 O ATOM 50 CB GLN A 3 33.966 -44.668 13.900 1.00 0.00 C ATOM 51 CG GLN A 3 35.422 -44.900 14.314 1.00 0.00 C ATOM 52 CD GLN A 3 35.531 -45.345 15.766 1.00 0.00 C ATOM 53 OE1 GLN A 3 34.576 -45.300 16.540 1.00 0.00 O ATOM 54 NE2 GLN A 3 36.710 -45.783 16.160 1.00 0.00 N ATOM 0 H GLN A 3 31.782 -44.233 12.856 1.00 0.00 H new ATOM 0 HA GLN A 3 34.479 -43.402 12.225 1.00 0.00 H new ATOM 0 HB2 GLN A 3 33.531 -43.886 14.523 1.00 0.00 H new ATOM 0 HB3 GLN A 3 33.388 -45.575 14.078 1.00 0.00 H new ATOM 0 HG2 GLN A 3 35.868 -45.656 13.667 1.00 0.00 H new ATOM 0 HG3 GLN A 3 35.992 -43.982 14.171 1.00 0.00 H new ATOM 0 HE21 GLN A 3 37.489 -45.812 15.502 1.00 0.00 H new ATOM 0 HE22 GLN A 3 36.843 -46.093 17.123 1.00 0.00 H new ATOM 63 N CYS A 4 33.618 -46.485 11.420 1.00 0.00 N ATOM 64 CA CYS A 4 34.094 -47.617 10.618 1.00 0.00 C ATOM 65 C CYS A 4 33.905 -47.385 9.118 1.00 0.00 C ATOM 66 O CYS A 4 34.674 -47.888 8.301 1.00 0.00 O ATOM 67 CB CYS A 4 33.377 -48.889 11.066 1.00 0.00 C ATOM 68 SG CYS A 4 34.296 -50.318 10.473 1.00 0.00 S ATOM 0 H CYS A 4 32.715 -46.621 11.875 1.00 0.00 H new ATOM 0 HA CYS A 4 35.166 -47.723 10.782 1.00 0.00 H new ATOM 0 HB2 CYS A 4 33.300 -48.915 12.153 1.00 0.00 H new ATOM 0 HB3 CYS A 4 32.360 -48.906 10.674 1.00 0.00 H new ATOM 73 N HIS A 5 32.893 -46.615 8.738 1.00 0.00 N ATOM 74 CA HIS A 5 32.722 -46.283 7.319 1.00 0.00 C ATOM 75 C HIS A 5 33.845 -45.367 6.816 1.00 0.00 C ATOM 76 O HIS A 5 34.294 -45.492 5.677 1.00 0.00 O ATOM 77 CB HIS A 5 31.347 -45.632 7.138 1.00 0.00 C ATOM 78 CG HIS A 5 30.998 -45.438 5.679 1.00 0.00 C ATOM 79 ND1 HIS A 5 31.223 -44.274 4.965 1.00 0.00 N ATOM 80 CD2 HIS A 5 30.392 -46.404 4.863 1.00 0.00 C ATOM 81 CE1 HIS A 5 30.725 -44.647 3.745 1.00 0.00 C ATOM 82 NE2 HIS A 5 30.204 -45.905 3.585 1.00 0.00 N ATOM 0 H HIS A 5 32.195 -46.217 9.366 1.00 0.00 H new ATOM 0 HA HIS A 5 32.778 -47.194 6.723 1.00 0.00 H new ATOM 0 HB2 HIS A 5 30.587 -46.253 7.613 1.00 0.00 H new ATOM 0 HB3 HIS A 5 31.333 -44.667 7.645 1.00 0.00 H new ATOM 0 HD2 HIS A 5 30.112 -47.396 5.185 1.00 0.00 H new ATOM 0 HE1 HIS A 5 30.743 -43.956 2.915 1.00 0.00 H new ATOM 0 HE2 HIS A 5 29.795 -46.347 2.761 1.00 0.00 H new ATOM 91 N LYS A 6 34.316 -44.450 7.654 1.00 0.00 N ATOM 92 CA LYS A 6 35.434 -43.592 7.244 1.00 0.00 C ATOM 93 C LYS A 6 36.723 -44.401 7.056 1.00 0.00 C ATOM 94 O LYS A 6 37.454 -44.201 6.086 1.00 0.00 O ATOM 95 CB LYS A 6 35.616 -42.487 8.289 1.00 0.00 C ATOM 96 CG LYS A 6 36.633 -41.439 7.826 1.00 0.00 C ATOM 97 CD LYS A 6 36.748 -40.280 8.820 1.00 0.00 C ATOM 98 CE LYS A 6 37.365 -40.699 10.156 1.00 0.00 C ATOM 99 NZ LYS A 6 38.762 -41.128 9.968 1.00 0.00 N ATOM 0 H LYS A 6 33.958 -44.280 8.594 1.00 0.00 H new ATOM 0 HA LYS A 6 35.206 -43.142 6.278 1.00 0.00 H new ATOM 0 HB2 LYS A 6 34.657 -42.005 8.481 1.00 0.00 H new ATOM 0 HB3 LYS A 6 35.947 -42.926 9.230 1.00 0.00 H new ATOM 0 HG2 LYS A 6 37.608 -41.909 7.702 1.00 0.00 H new ATOM 0 HG3 LYS A 6 36.338 -41.053 6.850 1.00 0.00 H new ATOM 0 HD2 LYS A 6 37.353 -39.488 8.379 1.00 0.00 H new ATOM 0 HD3 LYS A 6 35.757 -39.862 8.999 1.00 0.00 H new ATOM 0 HE2 LYS A 6 37.326 -39.866 10.858 1.00 0.00 H new ATOM 0 HE3 LYS A 6 36.784 -41.512 10.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 39.241 -41.165 10.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 38.780 -42.072 9.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 39.253 -40.451 9.350 1.00 0.00 H new ATOM 113 N LYS A 7 37.011 -45.330 7.962 1.00 0.00 N ATOM 114 CA LYS A 7 38.173 -46.205 7.758 1.00 0.00 C ATOM 115 C LYS A 7 37.928 -47.184 6.604 1.00 0.00 C ATOM 116 O LYS A 7 38.764 -47.327 5.713 1.00 0.00 O ATOM 117 CB LYS A 7 38.490 -46.971 9.048 1.00 0.00 C ATOM 118 CG LYS A 7 39.047 -46.052 10.137 1.00 0.00 C ATOM 119 CD LYS A 7 39.433 -46.862 11.374 1.00 0.00 C ATOM 120 CE LYS A 7 40.006 -45.978 12.483 1.00 0.00 C ATOM 121 NZ LYS A 7 41.333 -45.465 12.100 1.00 0.00 N ATOM 0 H LYS A 7 36.481 -45.498 8.817 1.00 0.00 H new ATOM 0 HA LYS A 7 39.028 -45.582 7.497 1.00 0.00 H new ATOM 0 HB2 LYS A 7 37.585 -47.458 9.412 1.00 0.00 H new ATOM 0 HB3 LYS A 7 39.212 -47.759 8.834 1.00 0.00 H new ATOM 0 HG2 LYS A 7 39.918 -45.517 9.759 1.00 0.00 H new ATOM 0 HG3 LYS A 7 38.303 -45.302 10.404 1.00 0.00 H new ATOM 0 HD2 LYS A 7 38.557 -47.391 11.749 1.00 0.00 H new ATOM 0 HD3 LYS A 7 40.168 -47.618 11.097 1.00 0.00 H new ATOM 0 HE2 LYS A 7 39.330 -45.145 12.678 1.00 0.00 H new ATOM 0 HE3 LYS A 7 40.084 -46.549 13.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 41.780 -45.011 12.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 41.929 -46.253 11.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 41.228 -44.769 11.334 1.00 0.00 H new ATOM 135 N GLY A 8 36.790 -47.867 6.615 1.00 0.00 N ATOM 136 CA GLY A 8 36.498 -48.827 5.547 1.00 0.00 C ATOM 137 C GLY A 8 36.171 -50.190 6.145 1.00 0.00 C ATOM 138 O GLY A 8 37.039 -51.052 6.273 1.00 0.00 O ATOM 0 H GLY A 8 36.068 -47.782 7.330 1.00 0.00 H new ATOM 0 HA2 GLY A 8 35.659 -48.473 4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 8 37.354 -48.910 4.878 1.00 0.00 H new ATOM 142 N GLY A 9 34.916 -50.394 6.517 1.00 0.00 N ATOM 143 CA GLY A 9 34.541 -51.675 7.124 1.00 0.00 C ATOM 144 C GLY A 9 33.027 -51.802 7.260 1.00 0.00 C ATOM 145 O GLY A 9 32.258 -50.942 6.829 1.00 0.00 O ATOM 0 H GLY A 9 34.158 -49.718 6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 9 34.924 -52.494 6.515 1.00 0.00 H new ATOM 0 HA3 GLY A 9 35.005 -51.764 8.106 1.00 0.00 H new ATOM 149 N HIS A 10 32.590 -52.898 7.865 1.00 0.00 N ATOM 150 CA HIS A 10 31.148 -53.116 8.019 1.00 0.00 C ATOM 151 C HIS A 10 30.878 -53.795 9.363 1.00 0.00 C ATOM 152 O HIS A 10 31.586 -54.715 9.772 1.00 0.00 O ATOM 153 CB HIS A 10 30.663 -53.982 6.852 1.00 0.00 C ATOM 154 CG HIS A 10 29.159 -54.149 6.849 1.00 0.00 C ATOM 155 ND1 HIS A 10 28.488 -55.221 7.411 1.00 0.00 N ATOM 156 CD2 HIS A 10 28.248 -53.236 6.295 1.00 0.00 C ATOM 157 CE1 HIS A 10 27.194 -54.852 7.152 1.00 0.00 C ATOM 158 NE2 HIS A 10 26.950 -53.681 6.482 1.00 0.00 N ATOM 0 H HIS A 10 33.186 -53.632 8.248 1.00 0.00 H new ATOM 0 HA HIS A 10 30.608 -52.169 8.006 1.00 0.00 H new ATOM 0 HB2 HIS A 10 30.978 -53.530 5.911 1.00 0.00 H new ATOM 0 HB3 HIS A 10 31.135 -54.963 6.909 1.00 0.00 H new ATOM 0 HD1 HIS A 10 28.852 -56.049 7.883 1.00 0.00 H new ATOM 0 HD2 HIS A 10 28.520 -52.318 5.795 1.00 0.00 H new ATOM 0 HE1 HIS A 10 26.374 -55.478 7.473 1.00 0.00 H new ATOM 167 N CYS A 11 29.838 -53.348 10.055 1.00 0.00 N ATOM 168 CA CYS A 11 29.507 -53.964 11.344 1.00 0.00 C ATOM 169 C CYS A 11 28.741 -55.268 11.150 1.00 0.00 C ATOM 170 O CYS A 11 27.798 -55.370 10.364 1.00 0.00 O ATOM 171 CB CYS A 11 28.683 -53.004 12.199 1.00 0.00 C ATOM 172 SG CYS A 11 29.736 -51.682 12.819 1.00 0.00 S ATOM 0 H CYS A 11 29.224 -52.587 9.763 1.00 0.00 H new ATOM 0 HA CYS A 11 30.443 -54.186 11.856 1.00 0.00 H new ATOM 0 HB2 CYS A 11 27.868 -52.585 11.609 1.00 0.00 H new ATOM 0 HB3 CYS A 11 28.230 -53.542 13.032 1.00 0.00 H new ATOM 177 N PHE A 12 29.156 -56.271 11.906 1.00 0.00 N ATOM 178 CA PHE A 12 28.453 -57.556 11.888 1.00 0.00 C ATOM 179 C PHE A 12 28.152 -57.953 13.337 1.00 0.00 C ATOM 180 O PHE A 12 28.958 -57.692 14.231 1.00 0.00 O ATOM 181 CB PHE A 12 29.341 -58.635 11.258 1.00 0.00 C ATOM 182 CG PHE A 12 29.618 -58.394 9.787 1.00 0.00 C ATOM 183 CD1 PHE A 12 28.704 -58.752 8.858 1.00 0.00 C ATOM 184 CD2 PHE A 12 30.797 -57.859 9.398 1.00 0.00 C ATOM 185 CE1 PHE A 12 28.969 -58.578 7.546 1.00 0.00 C ATOM 186 CE2 PHE A 12 31.062 -57.685 8.086 1.00 0.00 C ATOM 187 CZ PHE A 12 30.148 -58.047 7.159 1.00 0.00 C ATOM 0 H PHE A 12 29.961 -56.229 12.531 1.00 0.00 H new ATOM 0 HA PHE A 12 27.536 -57.465 11.306 1.00 0.00 H new ATOM 0 HB2 PHE A 12 30.287 -58.679 11.797 1.00 0.00 H new ATOM 0 HB3 PHE A 12 28.861 -59.607 11.377 1.00 0.00 H new ATOM 0 HD1 PHE A 12 27.760 -59.178 9.166 1.00 0.00 H new ATOM 0 HD2 PHE A 12 31.528 -57.570 10.138 1.00 0.00 H new ATOM 0 HE1 PHE A 12 28.237 -58.864 6.805 1.00 0.00 H new ATOM 0 HE2 PHE A 12 32.004 -57.257 7.777 1.00 0.00 H new ATOM 0 HZ PHE A 12 30.361 -57.912 6.109 1.00 0.00 H new ATOM 197 N PRO A 13 27.026 -58.610 13.613 1.00 0.00 N ATOM 198 CA PRO A 13 26.713 -59.064 14.970 1.00 0.00 C ATOM 199 C PRO A 13 27.795 -59.965 15.569 1.00 0.00 C ATOM 200 O PRO A 13 28.671 -60.475 14.870 1.00 0.00 O ATOM 201 CB PRO A 13 25.409 -59.833 14.746 1.00 0.00 C ATOM 202 CG PRO A 13 24.792 -59.215 13.492 1.00 0.00 C ATOM 203 CD PRO A 13 25.988 -58.858 12.614 1.00 0.00 C ATOM 0 HA PRO A 13 26.641 -58.244 15.685 1.00 0.00 H new ATOM 0 HB2 PRO A 13 25.598 -60.898 14.609 1.00 0.00 H new ATOM 0 HB3 PRO A 13 24.742 -59.736 15.603 1.00 0.00 H new ATOM 0 HG2 PRO A 13 24.126 -59.917 12.990 1.00 0.00 H new ATOM 0 HG3 PRO A 13 24.200 -58.332 13.734 1.00 0.00 H new ATOM 0 HD2 PRO A 13 26.256 -59.670 11.938 1.00 0.00 H new ATOM 0 HD3 PRO A 13 25.795 -57.980 11.997 1.00 0.00 H new ATOM 211 N LYS A 14 27.730 -60.185 16.876 1.00 0.00 N ATOM 212 CA LYS A 14 28.715 -61.068 17.516 1.00 0.00 C ATOM 213 C LYS A 14 28.679 -62.479 16.923 1.00 0.00 C ATOM 214 O LYS A 14 29.717 -63.077 16.643 1.00 0.00 O ATOM 215 CB LYS A 14 28.424 -61.130 19.019 1.00 0.00 C ATOM 216 CG LYS A 14 29.444 -61.980 19.781 1.00 0.00 C ATOM 217 CD LYS A 14 30.832 -61.337 19.805 1.00 0.00 C ATOM 218 CE LYS A 14 31.858 -62.310 20.387 1.00 0.00 C ATOM 219 NZ LYS A 14 33.202 -61.707 20.371 1.00 0.00 N ATOM 0 H LYS A 14 27.033 -59.783 17.502 1.00 0.00 H new ATOM 0 HA LYS A 14 29.710 -60.661 17.338 1.00 0.00 H new ATOM 0 HB2 LYS A 14 28.422 -60.119 19.427 1.00 0.00 H new ATOM 0 HB3 LYS A 14 27.426 -61.539 19.176 1.00 0.00 H new ATOM 0 HG2 LYS A 14 29.097 -62.130 20.804 1.00 0.00 H new ATOM 0 HG3 LYS A 14 29.510 -62.965 19.319 1.00 0.00 H new ATOM 0 HD2 LYS A 14 31.125 -61.050 18.795 1.00 0.00 H new ATOM 0 HD3 LYS A 14 30.807 -60.425 20.401 1.00 0.00 H new ATOM 0 HE2 LYS A 14 31.582 -62.572 21.408 1.00 0.00 H new ATOM 0 HE3 LYS A 14 31.860 -63.235 19.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 33.889 -62.379 20.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 33.468 -61.479 19.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 33.199 -60.837 20.941 1.00 0.00 H new ATOM 233 N GLU A 15 27.482 -63.024 16.748 1.00 0.00 N ATOM 234 CA GLU A 15 27.364 -64.406 16.268 1.00 0.00 C ATOM 235 C GLU A 15 27.937 -64.628 14.863 1.00 0.00 C ATOM 236 O GLU A 15 28.326 -65.740 14.506 1.00 0.00 O ATOM 237 CB GLU A 15 25.883 -64.804 16.295 1.00 0.00 C ATOM 238 CG GLU A 15 25.046 -64.075 15.237 1.00 0.00 C ATOM 239 CD GLU A 15 23.575 -64.437 15.348 1.00 0.00 C ATOM 240 OE1 GLU A 15 22.886 -63.895 16.239 1.00 0.00 O ATOM 241 OE2 GLU A 15 23.098 -65.261 14.538 1.00 0.00 O ATOM 0 H GLU A 15 26.596 -62.550 16.924 1.00 0.00 H new ATOM 0 HA GLU A 15 27.959 -65.031 16.933 1.00 0.00 H new ATOM 0 HB2 GLU A 15 25.799 -65.879 16.139 1.00 0.00 H new ATOM 0 HB3 GLU A 15 25.474 -64.592 17.283 1.00 0.00 H new ATOM 0 HG2 GLU A 15 25.167 -62.998 15.354 1.00 0.00 H new ATOM 0 HG3 GLU A 15 25.411 -64.331 14.242 1.00 0.00 H new ATOM 248 N LYS A 16 27.951 -63.588 14.040 1.00 0.00 N ATOM 249 CA LYS A 16 28.328 -63.774 12.636 1.00 0.00 C ATOM 250 C LYS A 16 29.843 -63.669 12.474 1.00 0.00 C ATOM 251 O LYS A 16 30.501 -62.788 13.027 1.00 0.00 O ATOM 252 CB LYS A 16 27.601 -62.738 11.774 1.00 0.00 C ATOM 253 CG LYS A 16 26.075 -62.871 11.874 1.00 0.00 C ATOM 254 CD LYS A 16 25.544 -64.227 11.393 1.00 0.00 C ATOM 255 CE LYS A 16 25.791 -64.477 9.903 1.00 0.00 C ATOM 256 NZ LYS A 16 25.039 -63.510 9.086 1.00 0.00 N ATOM 0 H LYS A 16 27.714 -62.632 14.304 1.00 0.00 H new ATOM 0 HA LYS A 16 28.031 -64.770 12.306 1.00 0.00 H new ATOM 0 HB2 LYS A 16 27.898 -61.736 12.084 1.00 0.00 H new ATOM 0 HB3 LYS A 16 27.907 -62.853 10.734 1.00 0.00 H new ATOM 0 HG2 LYS A 16 25.773 -62.719 12.910 1.00 0.00 H new ATOM 0 HG3 LYS A 16 25.610 -62.079 11.286 1.00 0.00 H new ATOM 0 HD2 LYS A 16 26.017 -65.021 11.971 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.474 -64.282 11.592 1.00 0.00 H new ATOM 0 HE2 LYS A 16 26.856 -64.395 9.686 1.00 0.00 H new ATOM 0 HE3 LYS A 16 25.491 -65.492 9.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 25.066 -63.803 8.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 24.052 -63.475 9.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 25.468 -62.567 9.181 1.00 0.00 H new ATOM 270 N ILE A 17 30.400 -64.606 11.720 1.00 0.00 N ATOM 271 CA ILE A 17 31.861 -64.715 11.642 1.00 0.00 C ATOM 272 C ILE A 17 32.338 -64.347 10.239 1.00 0.00 C ATOM 273 O ILE A 17 31.933 -64.942 9.240 1.00 0.00 O ATOM 274 CB ILE A 17 32.267 -66.159 11.984 1.00 0.00 C ATOM 275 CG1 ILE A 17 31.908 -66.477 13.442 1.00 0.00 C ATOM 276 CG2 ILE A 17 33.766 -66.380 11.748 1.00 0.00 C ATOM 277 CD1 ILE A 17 32.114 -67.953 13.783 1.00 0.00 C ATOM 0 H ILE A 17 29.884 -65.288 11.165 1.00 0.00 H new ATOM 0 HA ILE A 17 32.323 -64.028 12.351 1.00 0.00 H new ATOM 0 HB ILE A 17 31.717 -66.832 11.326 1.00 0.00 H new ATOM 0 HG12 ILE A 17 32.518 -65.865 14.106 1.00 0.00 H new ATOM 0 HG13 ILE A 17 30.868 -66.206 13.625 1.00 0.00 H new ATOM 0 HG21 ILE A 17 34.026 -67.409 11.998 1.00 0.00 H new ATOM 0 HG22 ILE A 17 34.001 -66.190 10.701 1.00 0.00 H new ATOM 0 HG23 ILE A 17 34.338 -65.698 12.378 1.00 0.00 H new ATOM 0 HD11 ILE A 17 31.846 -68.126 14.825 1.00 0.00 H new ATOM 0 HD12 ILE A 17 31.484 -68.567 13.139 1.00 0.00 H new ATOM 0 HD13 ILE A 17 33.159 -68.220 13.628 1.00 0.00 H new ATOM 289 N CYS A 18 33.250 -63.387 10.171 1.00 0.00 N ATOM 290 CA CYS A 18 33.947 -63.139 8.906 1.00 0.00 C ATOM 291 C CYS A 18 35.252 -63.934 8.943 1.00 0.00 C ATOM 292 O CYS A 18 35.933 -63.994 9.966 1.00 0.00 O ATOM 293 CB CYS A 18 34.209 -61.642 8.729 1.00 0.00 C ATOM 294 SG CYS A 18 35.134 -60.997 10.134 1.00 0.00 S ATOM 0 H CYS A 18 33.522 -62.782 10.946 1.00 0.00 H new ATOM 0 HA CYS A 18 33.342 -63.457 8.057 1.00 0.00 H new ATOM 0 HB2 CYS A 18 34.767 -61.470 7.808 1.00 0.00 H new ATOM 0 HB3 CYS A 18 33.263 -61.109 8.633 1.00 0.00 H new ATOM 299 N LEU A 19 35.587 -64.582 7.838 1.00 0.00 N ATOM 300 CA LEU A 19 36.761 -65.463 7.829 1.00 0.00 C ATOM 301 C LEU A 19 37.919 -64.703 7.165 1.00 0.00 C ATOM 302 O LEU A 19 37.791 -64.283 6.014 1.00 0.00 O ATOM 303 CB LEU A 19 36.344 -66.714 7.040 1.00 0.00 C ATOM 304 CG LEU A 19 37.274 -67.931 7.139 1.00 0.00 C ATOM 305 CD1 LEU A 19 38.682 -67.643 6.619 1.00 0.00 C ATOM 306 CD2 LEU A 19 37.330 -68.462 8.571 1.00 0.00 C ATOM 0 H LEU A 19 35.082 -64.523 6.954 1.00 0.00 H new ATOM 0 HA LEU A 19 37.097 -65.760 8.823 1.00 0.00 H new ATOM 0 HB2 LEU A 19 35.352 -67.015 7.378 1.00 0.00 H new ATOM 0 HB3 LEU A 19 36.253 -66.439 5.989 1.00 0.00 H new ATOM 0 HG LEU A 19 36.847 -68.699 6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 19 39.295 -68.539 6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 19 38.630 -67.348 5.571 1.00 0.00 H new ATOM 0 HD13 LEU A 19 39.127 -66.836 7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 19 37.996 -69.324 8.614 1.00 0.00 H new ATOM 0 HD22 LEU A 19 37.704 -67.682 9.234 1.00 0.00 H new ATOM 0 HD23 LEU A 19 36.330 -68.759 8.888 1.00 0.00 H new ATOM 318 N PRO A 20 39.050 -64.478 7.837 1.00 0.00 N ATOM 319 CA PRO A 20 39.353 -65.098 9.132 1.00 0.00 C ATOM 320 C PRO A 20 38.775 -64.301 10.305 1.00 0.00 C ATOM 321 O PRO A 20 38.480 -63.112 10.182 1.00 0.00 O ATOM 322 CB PRO A 20 40.882 -65.053 9.135 1.00 0.00 C ATOM 323 CG PRO A 20 41.232 -63.815 8.310 1.00 0.00 C ATOM 324 CD PRO A 20 40.182 -63.805 7.202 1.00 0.00 C ATOM 0 HA PRO A 20 38.927 -66.094 9.249 1.00 0.00 H new ATOM 0 HB2 PRO A 20 41.275 -64.978 10.149 1.00 0.00 H new ATOM 0 HB3 PRO A 20 41.306 -65.956 8.695 1.00 0.00 H new ATOM 0 HG2 PRO A 20 41.187 -62.907 8.912 1.00 0.00 H new ATOM 0 HG3 PRO A 20 42.241 -63.878 7.904 1.00 0.00 H new ATOM 0 HD2 PRO A 20 39.930 -62.791 6.891 1.00 0.00 H new ATOM 0 HD3 PRO A 20 40.524 -64.336 6.313 1.00 0.00 H new ATOM 332 N PRO A 21 38.598 -64.936 11.462 1.00 0.00 N ATOM 333 CA PRO A 21 37.920 -64.301 12.593 1.00 0.00 C ATOM 334 C PRO A 21 38.823 -63.344 13.378 1.00 0.00 C ATOM 335 O PRO A 21 38.338 -62.401 14.003 1.00 0.00 O ATOM 336 CB PRO A 21 37.525 -65.520 13.430 1.00 0.00 C ATOM 337 CG PRO A 21 38.591 -66.570 13.117 1.00 0.00 C ATOM 338 CD PRO A 21 38.898 -66.356 11.638 1.00 0.00 C ATOM 0 HA PRO A 21 37.087 -63.666 12.293 1.00 0.00 H new ATOM 0 HB2 PRO A 21 37.506 -65.280 14.493 1.00 0.00 H new ATOM 0 HB3 PRO A 21 36.529 -65.876 13.165 1.00 0.00 H new ATOM 0 HG2 PRO A 21 39.480 -66.432 13.733 1.00 0.00 H new ATOM 0 HG3 PRO A 21 38.225 -67.579 13.307 1.00 0.00 H new ATOM 0 HD2 PRO A 21 39.937 -66.585 11.401 1.00 0.00 H new ATOM 0 HD3 PRO A 21 38.279 -66.985 10.999 1.00 0.00 H new ATOM 346 N SER A 22 40.132 -63.568 13.366 1.00 0.00 N ATOM 347 CA SER A 22 41.032 -62.683 14.114 1.00 0.00 C ATOM 348 C SER A 22 41.405 -61.456 13.278 1.00 0.00 C ATOM 349 O SER A 22 42.575 -61.204 12.991 1.00 0.00 O ATOM 350 CB SER A 22 42.280 -63.478 14.507 1.00 0.00 C ATOM 351 OG SER A 22 42.990 -63.888 13.345 1.00 0.00 O ATOM 0 H SER A 22 40.589 -64.330 12.864 1.00 0.00 H new ATOM 0 HA SER A 22 40.531 -62.322 15.012 1.00 0.00 H new ATOM 0 HB2 SER A 22 42.925 -62.867 15.139 1.00 0.00 H new ATOM 0 HB3 SER A 22 41.994 -64.351 15.094 1.00 0.00 H new ATOM 0 HG SER A 22 43.267 -63.098 12.835 1.00 0.00 H new ATOM 357 N SER A 23 40.404 -60.683 12.879 1.00 0.00 N ATOM 358 CA SER A 23 40.669 -59.479 12.085 1.00 0.00 C ATOM 359 C SER A 23 39.438 -58.578 12.146 1.00 0.00 C ATOM 360 O SER A 23 38.603 -58.560 11.240 1.00 0.00 O ATOM 361 CB SER A 23 40.974 -59.862 10.635 1.00 0.00 C ATOM 362 OG SER A 23 42.209 -60.559 10.557 1.00 0.00 O ATOM 0 H SER A 23 39.420 -60.857 13.083 1.00 0.00 H new ATOM 0 HA SER A 23 41.534 -58.951 12.487 1.00 0.00 H new ATOM 0 HB2 SER A 23 40.172 -60.485 10.240 1.00 0.00 H new ATOM 0 HB3 SER A 23 41.015 -58.966 10.016 1.00 0.00 H new ATOM 0 HG SER A 23 42.648 -60.545 11.433 1.00 0.00 H new ATOM 368 N ASP A 24 39.310 -57.828 13.230 1.00 0.00 N ATOM 369 CA ASP A 24 38.110 -57.005 13.400 1.00 0.00 C ATOM 370 C ASP A 24 38.375 -55.865 14.381 1.00 0.00 C ATOM 371 O ASP A 24 39.128 -55.994 15.347 1.00 0.00 O ATOM 372 CB ASP A 24 36.940 -57.880 13.873 1.00 0.00 C ATOM 373 CG ASP A 24 37.179 -58.526 15.233 1.00 0.00 C ATOM 374 OD1 ASP A 24 37.994 -59.470 15.320 1.00 0.00 O ATOM 375 OD2 ASP A 24 36.548 -58.095 16.222 1.00 0.00 O ATOM 0 H ASP A 24 39.993 -57.768 13.985 1.00 0.00 H new ATOM 0 HA ASP A 24 37.845 -56.562 12.440 1.00 0.00 H new ATOM 0 HB2 ASP A 24 36.037 -57.271 13.922 1.00 0.00 H new ATOM 0 HB3 ASP A 24 36.758 -58.661 13.135 1.00 0.00 H new ATOM 380 N PHE A 25 37.719 -54.738 14.145 1.00 0.00 N ATOM 381 CA PHE A 25 37.743 -53.663 15.140 1.00 0.00 C ATOM 382 C PHE A 25 36.695 -53.974 16.210 1.00 0.00 C ATOM 383 O PHE A 25 35.773 -54.764 16.002 1.00 0.00 O ATOM 384 CB PHE A 25 37.428 -52.321 14.471 1.00 0.00 C ATOM 385 CG PHE A 25 38.442 -51.928 13.412 1.00 0.00 C ATOM 386 CD1 PHE A 25 39.673 -51.503 13.774 1.00 0.00 C ATOM 387 CD2 PHE A 25 38.105 -51.973 12.104 1.00 0.00 C ATOM 388 CE1 PHE A 25 40.569 -51.141 12.831 1.00 0.00 C ATOM 389 CE2 PHE A 25 38.999 -51.607 11.161 1.00 0.00 C ATOM 390 CZ PHE A 25 40.233 -51.195 11.524 1.00 0.00 C ATOM 0 H PHE A 25 37.178 -54.542 13.303 1.00 0.00 H new ATOM 0 HA PHE A 25 38.732 -53.596 15.594 1.00 0.00 H new ATOM 0 HB2 PHE A 25 36.439 -52.372 14.016 1.00 0.00 H new ATOM 0 HB3 PHE A 25 37.388 -51.543 15.233 1.00 0.00 H new ATOM 0 HD1 PHE A 25 39.940 -51.453 14.819 1.00 0.00 H new ATOM 0 HD2 PHE A 25 37.119 -52.302 11.813 1.00 0.00 H new ATOM 0 HE1 PHE A 25 41.554 -50.808 13.122 1.00 0.00 H new ATOM 0 HE2 PHE A 25 38.727 -51.644 10.116 1.00 0.00 H new ATOM 0 HZ PHE A 25 40.951 -50.909 10.769 1.00 0.00 H new ATOM 400 N GLY A 26 36.833 -53.361 17.375 1.00 0.00 N ATOM 401 CA GLY A 26 35.915 -53.688 18.469 1.00 0.00 C ATOM 402 C GLY A 26 34.607 -52.924 18.322 1.00 0.00 C ATOM 403 O GLY A 26 33.903 -53.033 17.318 1.00 0.00 O ATOM 0 H GLY A 26 37.542 -52.659 17.590 1.00 0.00 H new ATOM 0 HA2 GLY A 26 35.717 -54.760 18.476 1.00 0.00 H new ATOM 0 HA3 GLY A 26 36.379 -53.444 19.425 1.00 0.00 H new ATOM 407 N LYS A 27 34.275 -52.135 19.331 1.00 0.00 N ATOM 408 CA LYS A 27 33.057 -51.326 19.242 1.00 0.00 C ATOM 409 C LYS A 27 33.403 -49.995 18.580 1.00 0.00 C ATOM 410 O LYS A 27 33.864 -49.056 19.228 1.00 0.00 O ATOM 411 CB LYS A 27 32.501 -51.081 20.647 1.00 0.00 C ATOM 412 CG LYS A 27 32.107 -52.386 21.343 1.00 0.00 C ATOM 413 CD LYS A 27 31.550 -52.130 22.745 1.00 0.00 C ATOM 414 CE LYS A 27 32.572 -51.493 23.692 1.00 0.00 C ATOM 415 NZ LYS A 27 33.730 -52.382 23.888 1.00 0.00 N ATOM 0 H LYS A 27 34.807 -52.034 20.196 1.00 0.00 H new ATOM 0 HA LYS A 27 32.303 -51.846 18.651 1.00 0.00 H new ATOM 0 HB2 LYS A 27 33.248 -50.561 21.247 1.00 0.00 H new ATOM 0 HB3 LYS A 27 31.631 -50.427 20.584 1.00 0.00 H new ATOM 0 HG2 LYS A 27 31.361 -52.908 20.744 1.00 0.00 H new ATOM 0 HG3 LYS A 27 32.976 -53.040 21.410 1.00 0.00 H new ATOM 0 HD2 LYS A 27 30.679 -51.479 22.670 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.208 -53.073 23.171 1.00 0.00 H new ATOM 0 HE2 LYS A 27 32.906 -50.538 23.285 1.00 0.00 H new ATOM 0 HE3 LYS A 27 32.102 -51.283 24.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 34.316 -52.022 24.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 33.397 -53.340 24.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 34.296 -52.413 23.016 1.00 0.00 H new ATOM 429 N MET A 28 33.188 -49.913 17.276 1.00 0.00 N ATOM 430 CA MET A 28 33.488 -48.667 16.567 1.00 0.00 C ATOM 431 C MET A 28 32.256 -47.759 16.654 1.00 0.00 C ATOM 432 O MET A 28 31.934 -47.250 17.728 1.00 0.00 O ATOM 433 CB MET A 28 33.910 -49.016 15.134 1.00 0.00 C ATOM 434 CG MET A 28 35.235 -49.776 15.100 1.00 0.00 C ATOM 435 SD MET A 28 35.695 -50.104 13.393 1.00 0.00 S ATOM 436 CE MET A 28 36.372 -48.496 12.961 1.00 0.00 C ATOM 0 H MET A 28 32.818 -50.667 16.696 1.00 0.00 H new ATOM 0 HA MET A 28 34.318 -48.117 17.012 1.00 0.00 H new ATOM 0 HB2 MET A 28 33.133 -49.619 14.663 1.00 0.00 H new ATOM 0 HB3 MET A 28 34.001 -48.101 14.549 1.00 0.00 H new ATOM 0 HG2 MET A 28 36.014 -49.193 15.592 1.00 0.00 H new ATOM 0 HG3 MET A 28 35.143 -50.713 15.649 1.00 0.00 H new ATOM 0 HE1 MET A 28 36.761 -48.526 11.943 1.00 0.00 H new ATOM 0 HE2 MET A 28 35.588 -47.741 13.028 1.00 0.00 H new ATOM 0 HE3 MET A 28 37.178 -48.244 13.650 1.00 0.00 H new ATOM 446 N ASP A 29 31.538 -47.563 15.556 1.00 0.00 N ATOM 447 CA ASP A 29 30.290 -46.789 15.630 1.00 0.00 C ATOM 448 C ASP A 29 29.081 -47.732 15.583 1.00 0.00 C ATOM 449 O ASP A 29 28.144 -47.552 14.805 1.00 0.00 O ATOM 450 CB ASP A 29 30.265 -45.749 14.504 1.00 0.00 C ATOM 451 CG ASP A 29 30.322 -46.364 13.111 1.00 0.00 C ATOM 452 OD1 ASP A 29 31.357 -46.968 12.758 1.00 0.00 O ATOM 453 OD2 ASP A 29 29.335 -46.233 12.357 1.00 0.00 O ATOM 0 H ASP A 29 31.780 -47.913 14.629 1.00 0.00 H new ATOM 0 HA ASP A 29 30.239 -46.252 16.577 1.00 0.00 H new ATOM 0 HB2 ASP A 29 29.358 -45.151 14.592 1.00 0.00 H new ATOM 0 HB3 ASP A 29 31.108 -45.070 14.628 1.00 0.00 H new ATOM 458 N CYS A 30 29.100 -48.749 16.434 1.00 0.00 N ATOM 459 CA CYS A 30 28.020 -49.740 16.429 1.00 0.00 C ATOM 460 C CYS A 30 27.702 -50.141 17.873 1.00 0.00 C ATOM 461 O CYS A 30 28.312 -49.653 18.825 1.00 0.00 O ATOM 462 CB CYS A 30 28.478 -50.924 15.575 1.00 0.00 C ATOM 463 SG CYS A 30 28.629 -50.383 13.861 1.00 0.00 S ATOM 0 H CYS A 30 29.832 -48.913 17.125 1.00 0.00 H new ATOM 0 HA CYS A 30 27.101 -49.341 15.999 1.00 0.00 H new ATOM 0 HB2 CYS A 30 29.434 -51.302 15.937 1.00 0.00 H new ATOM 0 HB3 CYS A 30 27.762 -51.743 15.650 1.00 0.00 H new ATOM 468 N ARG A 31 26.713 -51.006 18.058 1.00 0.00 N ATOM 469 CA ARG A 31 26.249 -51.286 19.424 1.00 0.00 C ATOM 470 C ARG A 31 27.238 -52.162 20.205 1.00 0.00 C ATOM 471 O ARG A 31 28.313 -52.525 19.728 1.00 0.00 O ATOM 472 CB ARG A 31 24.835 -51.881 19.375 1.00 0.00 C ATOM 473 CG ARG A 31 24.807 -53.325 18.867 1.00 0.00 C ATOM 474 CD ARG A 31 23.376 -53.848 18.719 1.00 0.00 C ATOM 475 NE ARG A 31 22.682 -53.154 17.627 1.00 0.00 N ATOM 476 CZ ARG A 31 21.417 -53.436 17.344 1.00 0.00 C ATOM 477 NH1 ARG A 31 20.742 -54.330 18.044 1.00 0.00 N ATOM 478 NH2 ARG A 31 20.823 -52.812 16.347 1.00 0.00 N ATOM 0 H ARG A 31 26.228 -51.512 17.317 1.00 0.00 H new ATOM 0 HA ARG A 31 26.201 -50.348 19.977 1.00 0.00 H new ATOM 0 HB2 ARG A 31 24.398 -51.845 20.373 1.00 0.00 H new ATOM 0 HB3 ARG A 31 24.210 -51.263 18.730 1.00 0.00 H new ATOM 0 HG2 ARG A 31 25.316 -53.382 17.905 1.00 0.00 H new ATOM 0 HG3 ARG A 31 25.358 -53.964 19.557 1.00 0.00 H new ATOM 0 HD2 ARG A 31 23.393 -54.920 18.523 1.00 0.00 H new ATOM 0 HD3 ARG A 31 22.832 -53.704 19.652 1.00 0.00 H new ATOM 0 HE ARG A 31 23.177 -52.449 17.081 1.00 0.00 H new ATOM 0 HH11 ARG A 31 21.193 -54.818 18.818 1.00 0.00 H new ATOM 0 HH12 ARG A 31 19.770 -54.533 17.810 1.00 0.00 H new ATOM 0 HH21 ARG A 31 21.336 -52.119 15.801 1.00 0.00 H new ATOM 0 HH22 ARG A 31 19.851 -53.022 16.121 1.00 0.00 H new ATOM 492 N TRP A 32 26.873 -52.476 21.441 1.00 0.00 N ATOM 493 CA TRP A 32 27.801 -53.161 22.349 1.00 0.00 C ATOM 494 C TRP A 32 28.324 -54.491 21.804 1.00 0.00 C ATOM 495 O TRP A 32 29.528 -54.748 21.789 1.00 0.00 O ATOM 496 CB TRP A 32 27.045 -53.373 23.664 1.00 0.00 C ATOM 497 CG TRP A 32 27.907 -53.991 24.747 1.00 0.00 C ATOM 498 CD1 TRP A 32 27.873 -55.313 25.201 1.00 0.00 C ATOM 499 CD2 TRP A 32 28.837 -53.353 25.524 1.00 0.00 C ATOM 500 NE1 TRP A 32 28.784 -55.501 26.250 1.00 0.00 N ATOM 501 CE2 TRP A 32 29.353 -54.247 26.417 1.00 0.00 C ATOM 502 CE3 TRP A 32 29.226 -52.066 25.507 1.00 0.00 C ATOM 503 CZ2 TRP A 32 30.274 -53.861 27.322 1.00 0.00 C ATOM 504 CZ3 TRP A 32 30.152 -51.676 26.418 1.00 0.00 C ATOM 505 CH2 TRP A 32 30.670 -52.562 27.314 1.00 0.00 C ATOM 0 H TRP A 32 25.956 -52.274 21.839 1.00 0.00 H new ATOM 0 HA TRP A 32 28.691 -52.546 22.481 1.00 0.00 H new ATOM 0 HB2 TRP A 32 26.661 -52.415 24.015 1.00 0.00 H new ATOM 0 HB3 TRP A 32 26.183 -54.015 23.482 1.00 0.00 H new ATOM 0 HD1 TRP A 32 27.233 -56.084 24.799 1.00 0.00 H new ATOM 0 HE1 TRP A 32 28.982 -56.357 26.768 1.00 0.00 H new ATOM 0 HE3 TRP A 32 28.815 -51.367 24.793 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 30.685 -54.563 28.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 30.484 -50.648 26.433 1.00 0.00 H new ATOM 0 HH2 TRP A 32 31.407 -52.226 28.029 1.00 0.00 H new ATOM 516 N ARG A 33 27.417 -55.363 21.395 1.00 0.00 N ATOM 517 CA ARG A 33 27.832 -56.723 21.032 1.00 0.00 C ATOM 518 C ARG A 33 28.207 -56.863 19.550 1.00 0.00 C ATOM 519 O ARG A 33 28.628 -57.937 19.122 1.00 0.00 O ATOM 520 CB ARG A 33 26.706 -57.703 21.384 1.00 0.00 C ATOM 521 CG ARG A 33 26.374 -57.695 22.880 1.00 0.00 C ATOM 522 CD ARG A 33 25.233 -58.664 23.197 1.00 0.00 C ATOM 523 NE ARG A 33 24.822 -58.541 24.602 1.00 0.00 N ATOM 524 CZ ARG A 33 25.432 -59.233 25.556 1.00 0.00 C ATOM 525 NH1 ARG A 33 26.442 -60.037 25.281 1.00 0.00 N ATOM 526 NH2 ARG A 33 25.020 -59.117 26.802 1.00 0.00 N ATOM 0 H ARG A 33 26.419 -55.171 21.305 1.00 0.00 H new ATOM 0 HA ARG A 33 28.733 -56.952 21.601 1.00 0.00 H new ATOM 0 HB2 ARG A 33 25.813 -57.446 20.815 1.00 0.00 H new ATOM 0 HB3 ARG A 33 26.997 -58.710 21.084 1.00 0.00 H new ATOM 0 HG2 ARG A 33 27.259 -57.971 23.453 1.00 0.00 H new ATOM 0 HG3 ARG A 33 26.096 -56.687 23.188 1.00 0.00 H new ATOM 0 HD2 ARG A 33 24.384 -58.459 22.545 1.00 0.00 H new ATOM 0 HD3 ARG A 33 25.551 -59.687 22.994 1.00 0.00 H new ATOM 0 HE ARG A 33 24.056 -57.914 24.848 1.00 0.00 H new ATOM 0 HH11 ARG A 33 26.768 -60.136 24.320 1.00 0.00 H new ATOM 0 HH12 ARG A 33 26.896 -60.560 26.030 1.00 0.00 H new ATOM 0 HH21 ARG A 33 24.239 -58.500 27.026 1.00 0.00 H new ATOM 0 HH22 ARG A 33 25.482 -59.644 27.543 1.00 0.00 H new ATOM 540 N TRP A 34 28.068 -55.817 18.744 1.00 0.00 N ATOM 541 CA TRP A 34 28.403 -55.956 17.319 1.00 0.00 C ATOM 542 C TRP A 34 29.799 -55.383 17.065 1.00 0.00 C ATOM 543 O TRP A 34 30.239 -54.438 17.721 1.00 0.00 O ATOM 544 CB TRP A 34 27.370 -55.226 16.452 1.00 0.00 C ATOM 545 CG TRP A 34 25.979 -55.840 16.481 1.00 0.00 C ATOM 546 CD1 TRP A 34 25.460 -56.792 17.372 1.00 0.00 C ATOM 547 CD2 TRP A 34 24.962 -55.570 15.597 1.00 0.00 C ATOM 548 NE1 TRP A 34 24.135 -57.109 17.044 1.00 0.00 N ATOM 549 CE2 TRP A 34 23.873 -56.320 15.936 1.00 0.00 C ATOM 550 CE3 TRP A 34 24.940 -54.733 14.540 1.00 0.00 C ATOM 551 CZ2 TRP A 34 22.732 -56.240 15.222 1.00 0.00 C ATOM 552 CZ3 TRP A 34 23.791 -54.652 13.823 1.00 0.00 C ATOM 553 CH2 TRP A 34 22.701 -55.394 14.161 1.00 0.00 C ATOM 0 H TRP A 34 27.739 -54.895 19.030 1.00 0.00 H new ATOM 0 HA TRP A 34 28.391 -57.013 17.053 1.00 0.00 H new ATOM 0 HB2 TRP A 34 27.303 -54.190 16.783 1.00 0.00 H new ATOM 0 HB3 TRP A 34 27.725 -55.209 15.422 1.00 0.00 H new ATOM 0 HD1 TRP A 34 26.007 -57.222 18.198 1.00 0.00 H new ATOM 0 HE1 TRP A 34 23.510 -57.766 17.511 1.00 0.00 H new ATOM 0 HE3 TRP A 34 25.807 -54.147 14.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 21.868 -56.832 15.487 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 23.740 -53.989 12.972 1.00 0.00 H new ATOM 0 HH2 TRP A 34 21.797 -55.308 13.576 1.00 0.00 H new ATOM 564 N LYS A 35 30.514 -55.976 16.116 1.00 0.00 N ATOM 565 CA LYS A 35 31.911 -55.579 15.886 1.00 0.00 C ATOM 566 C LYS A 35 32.079 -55.174 14.418 1.00 0.00 C ATOM 567 O LYS A 35 31.333 -55.633 13.553 1.00 0.00 O ATOM 568 CB LYS A 35 32.837 -56.772 16.176 1.00 0.00 C ATOM 569 CG LYS A 35 32.481 -57.561 17.443 1.00 0.00 C ATOM 570 CD LYS A 35 32.560 -56.720 18.718 1.00 0.00 C ATOM 571 CE LYS A 35 31.998 -57.512 19.899 1.00 0.00 C ATOM 572 NZ LYS A 35 32.026 -56.684 21.116 1.00 0.00 N ATOM 0 H LYS A 35 30.168 -56.715 15.504 1.00 0.00 H new ATOM 0 HA LYS A 35 32.165 -54.745 16.540 1.00 0.00 H new ATOM 0 HB2 LYS A 35 32.813 -57.450 15.323 1.00 0.00 H new ATOM 0 HB3 LYS A 35 33.860 -56.408 16.266 1.00 0.00 H new ATOM 0 HG2 LYS A 35 31.473 -57.962 17.342 1.00 0.00 H new ATOM 0 HG3 LYS A 35 33.155 -58.412 17.535 1.00 0.00 H new ATOM 0 HD2 LYS A 35 33.595 -56.440 18.916 1.00 0.00 H new ATOM 0 HD3 LYS A 35 31.999 -55.795 18.589 1.00 0.00 H new ATOM 0 HE2 LYS A 35 30.976 -57.825 19.685 1.00 0.00 H new ATOM 0 HE3 LYS A 35 32.584 -58.419 20.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 32.076 -57.299 21.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 32.859 -56.061 21.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 31.163 -56.106 21.163 1.00 0.00 H new ATOM 586 N CYS A 36 33.066 -54.343 14.098 1.00 0.00 N ATOM 587 CA CYS A 36 33.280 -54.002 12.685 1.00 0.00 C ATOM 588 C CYS A 36 34.422 -54.843 12.118 1.00 0.00 C ATOM 589 O CYS A 36 35.573 -54.719 12.535 1.00 0.00 O ATOM 590 CB CYS A 36 33.583 -52.511 12.558 1.00 0.00 C ATOM 591 SG CYS A 36 33.270 -51.987 10.864 1.00 0.00 S ATOM 0 H CYS A 36 33.708 -53.907 14.760 1.00 0.00 H new ATOM 0 HA CYS A 36 32.378 -54.220 12.113 1.00 0.00 H new ATOM 0 HB2 CYS A 36 32.961 -51.941 13.249 1.00 0.00 H new ATOM 0 HB3 CYS A 36 34.621 -52.314 12.827 1.00 0.00 H new ATOM 596 N CYS A 37 34.116 -55.722 11.175 1.00 0.00 N ATOM 597 CA CYS A 37 35.150 -56.643 10.688 1.00 0.00 C ATOM 598 C CYS A 37 35.967 -56.010 9.561 1.00 0.00 C ATOM 599 O CYS A 37 35.466 -55.245 8.736 1.00 0.00 O ATOM 600 CB CYS A 37 34.490 -57.947 10.238 1.00 0.00 C ATOM 601 SG CYS A 37 35.753 -59.132 9.741 1.00 0.00 S ATOM 0 H CYS A 37 33.198 -55.822 10.741 1.00 0.00 H new ATOM 0 HA CYS A 37 35.846 -56.861 11.498 1.00 0.00 H new ATOM 0 HB2 CYS A 37 33.890 -58.360 11.049 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.812 -57.754 9.406 1.00 0.00 H new ATOM 606 N LYS A 38 37.252 -56.335 9.543 1.00 0.00 N ATOM 607 CA LYS A 38 38.147 -55.764 8.533 1.00 0.00 C ATOM 608 C LYS A 38 39.346 -56.695 8.370 1.00 0.00 C ATOM 609 O LYS A 38 40.097 -56.946 9.312 1.00 0.00 O ATOM 610 CB LYS A 38 38.600 -54.371 8.986 1.00 0.00 C ATOM 611 CG LYS A 38 39.641 -53.744 8.052 1.00 0.00 C ATOM 612 CD LYS A 38 39.104 -53.564 6.630 1.00 0.00 C ATOM 613 CE LYS A 38 40.119 -52.861 5.727 1.00 0.00 C ATOM 614 NZ LYS A 38 41.296 -53.720 5.508 1.00 0.00 N ATOM 0 H LYS A 38 37.696 -56.977 10.199 1.00 0.00 H new ATOM 0 HA LYS A 38 37.635 -55.665 7.576 1.00 0.00 H new ATOM 0 HB2 LYS A 38 37.732 -53.715 9.045 1.00 0.00 H new ATOM 0 HB3 LYS A 38 39.017 -54.440 9.991 1.00 0.00 H new ATOM 0 HG2 LYS A 38 39.947 -52.776 8.449 1.00 0.00 H new ATOM 0 HG3 LYS A 38 40.530 -54.374 8.026 1.00 0.00 H new ATOM 0 HD2 LYS A 38 38.855 -54.538 6.209 1.00 0.00 H new ATOM 0 HD3 LYS A 38 38.181 -52.985 6.660 1.00 0.00 H new ATOM 0 HE2 LYS A 38 39.656 -52.617 4.771 1.00 0.00 H new ATOM 0 HE3 LYS A 38 40.428 -51.919 6.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 41.911 -53.289 4.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 41.823 -53.821 6.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 40.986 -54.657 5.181 1.00 0.00 H new