USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 390 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 NoAdj-H: A 26 HIS HD1 : A 26 HIS ND1 : A 52 ZNZN :(H bumps) USER MOD Single : A 1 ALA N :NH3+ -101:sc= 0.097 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -151:sc= 0.508 (180deg=-0.129) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -174:sc= 0.746 (180deg=0.673) USER MOD Single : A 22 ASN : amide:sc= 0.239 X(o=0.24,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.959 K(o=-0.96,f=-4.2!) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 51 THR OG1 : rot 38:sc= 0.537 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.391 10.128 -10.196 1.00 0.00 N ATOM 2 CA ALA A 1 5.720 8.805 -9.637 1.00 0.00 C ATOM 3 C ALA A 1 4.707 8.402 -8.565 1.00 0.00 C ATOM 4 O ALA A 1 3.981 9.250 -8.049 1.00 0.00 O ATOM 5 CB ALA A 1 7.143 8.795 -9.072 1.00 0.00 C ATOM 0 H1 ALA A 1 4.917 10.009 -11.114 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.759 10.633 -9.543 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.265 10.677 -10.326 1.00 0.00 H new ATOM 0 HA ALA A 1 5.669 8.073 -10.443 1.00 0.00 H new ATOM 0 HB1 ALA A 1 7.366 7.809 -8.664 1.00 0.00 H new ATOM 0 HB2 ALA A 1 7.852 9.027 -9.867 1.00 0.00 H new ATOM 0 HB3 ALA A 1 7.226 9.541 -8.282 1.00 0.00 H new ATOM 13 N ARG A 2 4.666 7.106 -8.234 1.00 0.00 N ATOM 14 CA ARG A 2 3.920 6.585 -7.098 1.00 0.00 C ATOM 15 C ARG A 2 4.633 5.341 -6.577 1.00 0.00 C ATOM 16 O ARG A 2 4.924 4.432 -7.351 1.00 0.00 O ATOM 17 CB ARG A 2 2.479 6.274 -7.531 1.00 0.00 C ATOM 18 CG ARG A 2 1.558 5.808 -6.400 1.00 0.00 C ATOM 19 CD ARG A 2 1.443 6.859 -5.294 1.00 0.00 C ATOM 20 NE ARG A 2 1.090 8.182 -5.836 1.00 0.00 N ATOM 21 CZ ARG A 2 1.680 9.351 -5.529 1.00 0.00 C ATOM 22 NH1 ARG A 2 2.563 9.447 -4.527 1.00 0.00 N ATOM 23 NH2 ARG A 2 1.368 10.445 -6.234 1.00 0.00 N ATOM 0 H ARG A 2 5.160 6.385 -8.760 1.00 0.00 H new ATOM 0 HA ARG A 2 3.873 7.320 -6.295 1.00 0.00 H new ATOM 0 HB2 ARG A 2 2.050 7.167 -7.986 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.504 5.504 -8.302 1.00 0.00 H new ATOM 0 HG2 ARG A 2 0.568 5.593 -6.802 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.940 4.878 -5.980 1.00 0.00 H new ATOM 0 HD2 ARG A 2 0.687 6.548 -4.573 1.00 0.00 H new ATOM 0 HD3 ARG A 2 2.389 6.926 -4.756 1.00 0.00 H new ATOM 0 HE ARG A 2 0.324 8.215 -6.509 1.00 0.00 H new ATOM 0 HH11 ARG A 2 2.802 8.622 -3.977 1.00 0.00 H new ATOM 0 HH12 ARG A 2 2.997 10.345 -4.314 1.00 0.00 H new ATOM 0 HH21 ARG A 2 0.690 10.386 -6.994 1.00 0.00 H new ATOM 0 HH22 ARG A 2 1.808 11.338 -6.011 1.00 0.00 H new ATOM 37 N CYS A 3 4.916 5.310 -5.271 1.00 0.00 N ATOM 38 CA CYS A 3 5.777 4.304 -4.670 1.00 0.00 C ATOM 39 C CYS A 3 5.100 2.933 -4.676 1.00 0.00 C ATOM 40 O CYS A 3 3.926 2.819 -4.329 1.00 0.00 O ATOM 41 CB CYS A 3 6.134 4.729 -3.246 1.00 0.00 C ATOM 42 SG CYS A 3 7.214 3.569 -2.376 1.00 0.00 S ATOM 0 H CYS A 3 4.549 5.988 -4.603 1.00 0.00 H new ATOM 0 HA CYS A 3 6.691 4.220 -5.257 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.620 5.704 -3.281 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.214 4.851 -2.674 1.00 0.00 H new ATOM 47 N LYS A 4 5.860 1.900 -5.060 1.00 0.00 N ATOM 48 CA LYS A 4 5.457 0.502 -5.005 1.00 0.00 C ATOM 49 C LYS A 4 5.012 0.121 -3.594 1.00 0.00 C ATOM 50 O LYS A 4 3.934 -0.442 -3.416 1.00 0.00 O ATOM 51 CB LYS A 4 6.618 -0.368 -5.513 1.00 0.00 C ATOM 52 CG LYS A 4 6.288 -1.866 -5.621 1.00 0.00 C ATOM 53 CD LYS A 4 6.578 -2.647 -4.330 1.00 0.00 C ATOM 54 CE LYS A 4 6.302 -4.140 -4.536 1.00 0.00 C ATOM 55 NZ LYS A 4 6.542 -4.910 -3.302 1.00 0.00 N ATOM 0 H LYS A 4 6.803 2.026 -5.429 1.00 0.00 H new ATOM 0 HA LYS A 4 4.595 0.334 -5.651 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.927 -0.005 -6.493 1.00 0.00 H new ATOM 0 HB3 LYS A 4 7.470 -0.243 -4.844 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.235 -1.981 -5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.865 -2.300 -6.437 1.00 0.00 H new ATOM 0 HD2 LYS A 4 7.617 -2.500 -4.034 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.958 -2.265 -3.519 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.270 -4.279 -4.858 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.939 -4.522 -5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.346 -5.916 -3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.533 -4.796 -3.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.916 -4.561 -2.548 1.00 0.00 H new ATOM 69 N VAL A 5 5.860 0.423 -2.608 1.00 0.00 N ATOM 70 CA VAL A 5 5.688 0.030 -1.217 1.00 0.00 C ATOM 71 C VAL A 5 4.457 0.719 -0.621 1.00 0.00 C ATOM 72 O VAL A 5 3.546 0.042 -0.148 1.00 0.00 O ATOM 73 CB VAL A 5 6.986 0.321 -0.441 1.00 0.00 C ATOM 74 CG1 VAL A 5 6.849 0.051 1.062 1.00 0.00 C ATOM 75 CG2 VAL A 5 8.132 -0.537 -0.996 1.00 0.00 C ATOM 0 H VAL A 5 6.710 0.965 -2.766 1.00 0.00 H new ATOM 0 HA VAL A 5 5.503 -1.042 -1.143 1.00 0.00 H new ATOM 0 HB VAL A 5 7.199 1.382 -0.573 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.793 0.273 1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.064 0.684 1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.592 -0.996 1.222 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.046 -0.325 -0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.880 -1.592 -0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.284 -0.303 -2.050 1.00 0.00 H new ATOM 85 N CYS A 6 4.424 2.057 -0.648 1.00 0.00 N ATOM 86 CA CYS A 6 3.417 2.839 0.054 1.00 0.00 C ATOM 87 C CYS A 6 2.092 2.819 -0.705 1.00 0.00 C ATOM 88 O CYS A 6 1.050 2.518 -0.126 1.00 0.00 O ATOM 89 CB CYS A 6 3.880 4.290 0.237 1.00 0.00 C ATOM 90 SG CYS A 6 5.524 4.518 0.950 1.00 0.00 S ATOM 0 H CYS A 6 5.100 2.623 -1.161 1.00 0.00 H new ATOM 0 HA CYS A 6 3.273 2.388 1.036 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.857 4.782 -0.735 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.157 4.803 0.871 1.00 0.00 H new ATOM 95 N ARG A 7 2.144 3.171 -1.996 1.00 0.00 N ATOM 96 CA ARG A 7 0.985 3.432 -2.839 1.00 0.00 C ATOM 97 C ARG A 7 0.136 4.584 -2.284 1.00 0.00 C ATOM 98 O ARG A 7 -1.081 4.597 -2.466 1.00 0.00 O ATOM 99 CB ARG A 7 0.164 2.153 -3.076 1.00 0.00 C ATOM 100 CG ARG A 7 1.064 0.963 -3.435 1.00 0.00 C ATOM 101 CD ARG A 7 0.255 -0.227 -3.963 1.00 0.00 C ATOM 102 NE ARG A 7 -0.361 0.062 -5.266 1.00 0.00 N ATOM 103 CZ ARG A 7 0.295 0.126 -6.439 1.00 0.00 C ATOM 104 NH1 ARG A 7 1.616 -0.093 -6.502 1.00 0.00 N ATOM 105 NH2 ARG A 7 -0.383 0.413 -7.558 1.00 0.00 N ATOM 0 H ARG A 7 3.027 3.284 -2.493 1.00 0.00 H new ATOM 0 HA ARG A 7 1.347 3.755 -3.815 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.411 1.918 -2.180 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.553 2.323 -3.879 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.790 1.271 -4.188 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.628 0.656 -2.554 1.00 0.00 H new ATOM 0 HD2 ARG A 7 0.906 -1.096 -4.054 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.522 -0.485 -3.244 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.367 0.227 -5.282 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.138 -0.312 -5.653 1.00 0.00 H new ATOM 0 HH12 ARG A 7 2.099 -0.041 -7.399 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.388 0.581 -7.516 1.00 0.00 H new ATOM 0 HH22 ARG A 7 0.106 0.464 -8.452 1.00 0.00 H new ATOM 119 N LYS A 8 0.781 5.551 -1.617 1.00 0.00 N ATOM 120 CA LYS A 8 0.143 6.712 -1.011 1.00 0.00 C ATOM 121 C LYS A 8 0.495 7.964 -1.810 1.00 0.00 C ATOM 122 O LYS A 8 1.622 8.094 -2.287 1.00 0.00 O ATOM 123 CB LYS A 8 0.624 6.893 0.434 1.00 0.00 C ATOM 124 CG LYS A 8 0.148 5.774 1.364 1.00 0.00 C ATOM 125 CD LYS A 8 0.768 5.857 2.768 1.00 0.00 C ATOM 126 CE LYS A 8 0.345 7.092 3.579 1.00 0.00 C ATOM 127 NZ LYS A 8 1.178 8.277 3.299 1.00 0.00 N ATOM 0 H LYS A 8 1.792 5.540 -1.484 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.936 6.557 -1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.713 6.931 0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.267 7.851 0.813 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.938 5.817 1.449 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.395 4.810 0.920 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.495 4.961 3.325 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.854 5.855 2.673 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.696 7.326 3.358 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.400 6.858 4.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 1.210 8.886 4.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.142 7.974 3.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.770 8.808 2.504 1.00 0.00 H new ATOM 141 N LYS A 9 -0.478 8.872 -1.945 1.00 0.00 N ATOM 142 CA LYS A 9 -0.293 10.216 -2.471 1.00 0.00 C ATOM 143 C LYS A 9 -0.245 11.180 -1.287 1.00 0.00 C ATOM 144 O LYS A 9 -1.213 11.276 -0.533 1.00 0.00 O ATOM 145 CB LYS A 9 -1.439 10.552 -3.435 1.00 0.00 C ATOM 146 CG LYS A 9 -1.261 11.951 -4.044 1.00 0.00 C ATOM 147 CD LYS A 9 -2.320 12.262 -5.110 1.00 0.00 C ATOM 148 CE LYS A 9 -3.726 12.393 -4.510 1.00 0.00 C ATOM 149 NZ LYS A 9 -4.707 12.829 -5.520 1.00 0.00 N ATOM 0 H LYS A 9 -1.444 8.679 -1.681 1.00 0.00 H new ATOM 0 HA LYS A 9 0.638 10.297 -3.033 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.478 9.808 -4.231 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.390 10.502 -2.905 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.315 12.699 -3.253 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.268 12.028 -4.488 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.057 13.188 -5.621 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.320 11.472 -5.861 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.035 11.435 -4.092 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.706 13.108 -3.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -5.646 12.907 -5.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.425 13.755 -5.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -4.743 12.133 -6.292 1.00 0.00 H new ATOM 163 N GLY A 10 0.881 11.877 -1.117 1.00 0.00 N ATOM 164 CA GLY A 10 1.133 12.688 0.062 1.00 0.00 C ATOM 165 C GLY A 10 2.618 13.006 0.158 1.00 0.00 C ATOM 166 O GLY A 10 3.021 14.156 -0.011 1.00 0.00 O ATOM 0 H GLY A 10 1.641 11.891 -1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.556 13.611 0.010 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.806 12.158 0.957 1.00 0.00 H new ATOM 170 N GLU A 11 3.432 11.974 0.413 1.00 0.00 N ATOM 171 CA GLU A 11 4.880 12.078 0.509 1.00 0.00 C ATOM 172 C GLU A 11 5.519 12.084 -0.886 1.00 0.00 C ATOM 173 O GLU A 11 6.424 11.301 -1.169 1.00 0.00 O ATOM 174 CB GLU A 11 5.438 10.967 1.418 1.00 0.00 C ATOM 175 CG GLU A 11 5.063 9.535 0.997 1.00 0.00 C ATOM 176 CD GLU A 11 3.770 9.039 1.641 1.00 0.00 C ATOM 177 OE1 GLU A 11 2.690 9.349 1.091 1.00 0.00 O ATOM 178 OE2 GLU A 11 3.874 8.351 2.680 1.00 0.00 O ATOM 0 H GLU A 11 3.087 11.025 0.560 1.00 0.00 H new ATOM 0 HA GLU A 11 5.141 13.029 0.973 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.525 11.050 1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 11 5.082 11.136 2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.959 9.497 -0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.876 8.860 1.263 1.00 0.00 H new ATOM 185 N ASP A 12 5.071 12.999 -1.753 1.00 0.00 N ATOM 186 CA ASP A 12 5.492 13.074 -3.147 1.00 0.00 C ATOM 187 C ASP A 12 6.776 13.910 -3.235 1.00 0.00 C ATOM 188 O ASP A 12 6.855 14.854 -4.018 1.00 0.00 O ATOM 189 CB ASP A 12 4.350 13.656 -3.997 1.00 0.00 C ATOM 190 CG ASP A 12 3.147 12.720 -4.146 1.00 0.00 C ATOM 191 OD1 ASP A 12 2.878 11.934 -3.211 1.00 0.00 O ATOM 192 OD2 ASP A 12 2.508 12.788 -5.217 1.00 0.00 O ATOM 0 H ASP A 12 4.394 13.718 -1.496 1.00 0.00 H new ATOM 0 HA ASP A 12 5.713 12.082 -3.541 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.016 14.591 -3.548 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.735 13.898 -4.988 1.00 0.00 H new ATOM 197 N ASP A 13 7.772 13.560 -2.408 1.00 0.00 N ATOM 198 CA ASP A 13 8.976 14.345 -2.178 1.00 0.00 C ATOM 199 C ASP A 13 10.221 13.536 -2.548 1.00 0.00 C ATOM 200 O ASP A 13 10.756 13.692 -3.645 1.00 0.00 O ATOM 201 CB ASP A 13 8.962 14.821 -0.716 1.00 0.00 C ATOM 202 CG ASP A 13 10.172 15.666 -0.326 1.00 0.00 C ATOM 203 OD1 ASP A 13 10.868 16.170 -1.235 1.00 0.00 O ATOM 204 OD2 ASP A 13 10.405 15.783 0.898 1.00 0.00 O ATOM 0 H ASP A 13 7.753 12.695 -1.868 1.00 0.00 H new ATOM 0 HA ASP A 13 9.002 15.227 -2.818 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.056 15.401 -0.542 1.00 0.00 H new ATOM 0 HB3 ASP A 13 8.914 13.951 -0.062 1.00 0.00 H new ATOM 209 N LYS A 14 10.665 12.651 -1.648 1.00 0.00 N ATOM 210 CA LYS A 14 11.947 11.964 -1.748 1.00 0.00 C ATOM 211 C LYS A 14 11.751 10.575 -2.353 1.00 0.00 C ATOM 212 O LYS A 14 12.073 9.568 -1.720 1.00 0.00 O ATOM 213 CB LYS A 14 12.617 11.886 -0.367 1.00 0.00 C ATOM 214 CG LYS A 14 12.888 13.245 0.293 1.00 0.00 C ATOM 215 CD LYS A 14 13.815 14.130 -0.552 1.00 0.00 C ATOM 216 CE LYS A 14 14.251 15.394 0.200 1.00 0.00 C ATOM 217 NZ LYS A 14 13.122 16.306 0.453 1.00 0.00 N ATOM 0 H LYS A 14 10.131 12.392 -0.818 1.00 0.00 H new ATOM 0 HA LYS A 14 12.607 12.528 -2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.984 11.295 0.296 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.561 11.351 -0.466 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.943 13.763 0.454 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.336 13.087 1.274 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.697 13.558 -0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.304 14.414 -1.472 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.708 15.111 1.149 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.014 15.914 -0.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.477 17.190 0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.638 16.517 -0.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.453 15.856 1.110 1.00 0.00 H new ATOM 231 N LEU A 15 11.237 10.525 -3.589 1.00 0.00 N ATOM 232 CA LEU A 15 11.190 9.300 -4.375 1.00 0.00 C ATOM 233 C LEU A 15 12.586 8.944 -4.896 1.00 0.00 C ATOM 234 O LEU A 15 13.463 9.800 -5.013 1.00 0.00 O ATOM 235 CB LEU A 15 10.194 9.420 -5.543 1.00 0.00 C ATOM 236 CG LEU A 15 8.702 9.334 -5.174 1.00 0.00 C ATOM 237 CD1 LEU A 15 8.309 7.954 -4.630 1.00 0.00 C ATOM 238 CD2 LEU A 15 8.241 10.441 -4.221 1.00 0.00 C ATOM 0 H LEU A 15 10.844 11.336 -4.066 1.00 0.00 H new ATOM 0 HA LEU A 15 10.844 8.498 -3.723 1.00 0.00 H new ATOM 0 HB2 LEU A 15 10.368 10.371 -6.046 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.415 8.633 -6.264 1.00 0.00 H new ATOM 0 HG LEU A 15 8.175 9.488 -6.116 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.247 7.948 -4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.512 7.194 -5.385 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.889 7.738 -3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.180 10.317 -4.005 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.809 10.382 -3.293 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.405 11.413 -4.686 1.00 0.00 H new ATOM 250 N ILE A 16 12.769 7.659 -5.213 1.00 0.00 N ATOM 251 CA ILE A 16 13.964 7.082 -5.802 1.00 0.00 C ATOM 252 C ILE A 16 13.548 5.824 -6.568 1.00 0.00 C ATOM 253 O ILE A 16 13.073 4.856 -5.976 1.00 0.00 O ATOM 254 CB ILE A 16 15.043 6.820 -4.730 1.00 0.00 C ATOM 255 CG1 ILE A 16 16.130 5.894 -5.299 1.00 0.00 C ATOM 256 CG2 ILE A 16 14.480 6.237 -3.424 1.00 0.00 C ATOM 257 CD1 ILE A 16 17.484 6.101 -4.619 1.00 0.00 C ATOM 0 H ILE A 16 12.042 6.961 -5.054 1.00 0.00 H new ATOM 0 HA ILE A 16 14.427 7.777 -6.503 1.00 0.00 H new ATOM 0 HB ILE A 16 15.471 7.789 -4.473 1.00 0.00 H new ATOM 0 HG12 ILE A 16 15.820 4.856 -5.177 1.00 0.00 H new ATOM 0 HG13 ILE A 16 16.232 6.073 -6.369 1.00 0.00 H new ATOM 0 HG21 ILE A 16 15.293 6.078 -2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 16 13.758 6.933 -2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 16 13.989 5.286 -3.632 1.00 0.00 H new ATOM 0 HD11 ILE A 16 18.218 5.424 -5.056 1.00 0.00 H new ATOM 0 HD12 ILE A 16 17.810 7.131 -4.763 1.00 0.00 H new ATOM 0 HD13 ILE A 16 17.391 5.896 -3.553 1.00 0.00 H new ATOM 269 N LEU A 17 13.700 5.856 -7.896 1.00 0.00 N ATOM 270 CA LEU A 17 13.374 4.749 -8.781 1.00 0.00 C ATOM 271 C LEU A 17 14.598 3.851 -8.953 1.00 0.00 C ATOM 272 O LEU A 17 15.733 4.328 -8.951 1.00 0.00 O ATOM 273 CB LEU A 17 12.897 5.285 -10.139 1.00 0.00 C ATOM 274 CG LEU A 17 11.405 5.661 -10.162 1.00 0.00 C ATOM 275 CD1 LEU A 17 11.046 6.766 -9.159 1.00 0.00 C ATOM 276 CD2 LEU A 17 11.030 6.122 -11.575 1.00 0.00 C ATOM 0 H LEU A 17 14.061 6.672 -8.389 1.00 0.00 H new ATOM 0 HA LEU A 17 12.568 4.160 -8.343 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.488 6.162 -10.402 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.085 4.532 -10.904 1.00 0.00 H new ATOM 0 HG LEU A 17 10.843 4.773 -9.872 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.980 6.985 -9.225 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.286 6.433 -8.149 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.616 7.666 -9.390 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.974 6.391 -11.602 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.632 6.989 -11.847 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.217 5.314 -12.283 1.00 0.00 H new ATOM 288 N CYS A 18 14.351 2.550 -9.130 1.00 0.00 N ATOM 289 CA CYS A 18 15.367 1.585 -9.520 1.00 0.00 C ATOM 290 C CYS A 18 15.799 1.830 -10.967 1.00 0.00 C ATOM 291 O CYS A 18 14.957 2.005 -11.842 1.00 0.00 O ATOM 292 CB CYS A 18 14.808 0.173 -9.322 1.00 0.00 C ATOM 293 SG CYS A 18 15.771 -1.137 -10.107 1.00 0.00 S ATOM 0 H CYS A 18 13.426 2.138 -9.003 1.00 0.00 H new ATOM 0 HA CYS A 18 16.254 1.697 -8.897 1.00 0.00 H new ATOM 0 HB2 CYS A 18 14.745 -0.032 -8.253 1.00 0.00 H new ATOM 0 HB3 CYS A 18 13.791 0.142 -9.713 1.00 0.00 H new ATOM 298 N ASP A 19 17.112 1.836 -11.219 1.00 0.00 N ATOM 299 CA ASP A 19 17.669 2.016 -12.553 1.00 0.00 C ATOM 300 C ASP A 19 17.139 0.958 -13.523 1.00 0.00 C ATOM 301 O ASP A 19 16.651 1.289 -14.602 1.00 0.00 O ATOM 302 CB ASP A 19 19.200 1.981 -12.470 1.00 0.00 C ATOM 303 CG ASP A 19 19.835 2.182 -13.842 1.00 0.00 C ATOM 304 OD1 ASP A 19 19.947 3.359 -14.248 1.00 0.00 O ATOM 305 OD2 ASP A 19 20.184 1.156 -14.464 1.00 0.00 O ATOM 0 H ASP A 19 17.819 1.715 -10.494 1.00 0.00 H new ATOM 0 HA ASP A 19 17.357 2.985 -12.942 1.00 0.00 H new ATOM 0 HB2 ASP A 19 19.547 2.758 -11.789 1.00 0.00 H new ATOM 0 HB3 ASP A 19 19.522 1.026 -12.054 1.00 0.00 H new ATOM 310 N GLU A 20 17.219 -0.310 -13.108 1.00 0.00 N ATOM 311 CA GLU A 20 16.973 -1.471 -13.949 1.00 0.00 C ATOM 312 C GLU A 20 15.522 -1.518 -14.443 1.00 0.00 C ATOM 313 O GLU A 20 15.286 -1.515 -15.650 1.00 0.00 O ATOM 314 CB GLU A 20 17.334 -2.743 -13.165 1.00 0.00 C ATOM 315 CG GLU A 20 17.310 -3.992 -14.055 1.00 0.00 C ATOM 316 CD GLU A 20 17.580 -5.255 -13.243 1.00 0.00 C ATOM 317 OE1 GLU A 20 18.704 -5.359 -12.706 1.00 0.00 O ATOM 318 OE2 GLU A 20 16.652 -6.089 -13.163 1.00 0.00 O ATOM 0 H GLU A 20 17.464 -0.557 -12.149 1.00 0.00 H new ATOM 0 HA GLU A 20 17.601 -1.402 -14.837 1.00 0.00 H new ATOM 0 HB2 GLU A 20 18.325 -2.629 -12.726 1.00 0.00 H new ATOM 0 HB3 GLU A 20 16.633 -2.872 -12.340 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.340 -4.073 -14.546 1.00 0.00 H new ATOM 0 HG3 GLU A 20 18.059 -3.895 -14.841 1.00 0.00 H new ATOM 325 N CYS A 21 14.563 -1.572 -13.509 1.00 0.00 N ATOM 326 CA CYS A 21 13.155 -1.852 -13.785 1.00 0.00 C ATOM 327 C CYS A 21 12.211 -0.713 -13.382 1.00 0.00 C ATOM 328 O CYS A 21 11.001 -0.854 -13.546 1.00 0.00 O ATOM 329 CB CYS A 21 12.764 -3.168 -13.101 1.00 0.00 C ATOM 330 SG CYS A 21 12.931 -3.195 -11.296 1.00 0.00 S ATOM 0 H CYS A 21 14.753 -1.418 -12.519 1.00 0.00 H new ATOM 0 HA CYS A 21 13.044 -1.944 -14.865 1.00 0.00 H new ATOM 0 HB2 CYS A 21 11.729 -3.395 -13.355 1.00 0.00 H new ATOM 0 HB3 CYS A 21 13.377 -3.968 -13.516 1.00 0.00 H new ATOM 335 N ASN A 22 12.735 0.401 -12.853 1.00 0.00 N ATOM 336 CA ASN A 22 11.980 1.634 -12.635 1.00 0.00 C ATOM 337 C ASN A 22 10.803 1.449 -11.673 1.00 0.00 C ATOM 338 O ASN A 22 9.772 2.101 -11.815 1.00 0.00 O ATOM 339 CB ASN A 22 11.573 2.265 -13.977 1.00 0.00 C ATOM 340 CG ASN A 22 12.727 2.346 -14.982 1.00 0.00 C ATOM 341 OD1 ASN A 22 12.520 2.124 -16.173 1.00 0.00 O ATOM 342 ND2 ASN A 22 13.944 2.647 -14.520 1.00 0.00 N ATOM 0 H ASN A 22 13.710 0.468 -12.561 1.00 0.00 H new ATOM 0 HA ASN A 22 12.640 2.341 -12.132 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.761 1.683 -14.413 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.186 3.268 -13.797 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.735 2.698 -15.162 1.00 0.00 H new ATOM 0 HD22 ASN A 22 14.082 2.826 -13.525 1.00 0.00 H new ATOM 349 N LYS A 23 10.975 0.570 -10.677 1.00 0.00 N ATOM 350 CA LYS A 23 10.064 0.433 -9.559 1.00 0.00 C ATOM 351 C LYS A 23 10.396 1.536 -8.557 1.00 0.00 C ATOM 352 O LYS A 23 11.565 1.723 -8.216 1.00 0.00 O ATOM 353 CB LYS A 23 10.235 -0.956 -8.935 1.00 0.00 C ATOM 354 CG LYS A 23 9.720 -2.054 -9.873 1.00 0.00 C ATOM 355 CD LYS A 23 9.947 -3.439 -9.257 1.00 0.00 C ATOM 356 CE LYS A 23 9.502 -4.536 -10.230 1.00 0.00 C ATOM 357 NZ LYS A 23 9.797 -5.881 -9.706 1.00 0.00 N ATOM 0 H LYS A 23 11.767 -0.071 -10.635 1.00 0.00 H new ATOM 0 HA LYS A 23 9.025 0.530 -9.875 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.288 -1.130 -8.711 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.696 -1.001 -7.988 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.658 -1.906 -10.067 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.231 -1.989 -10.833 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.002 -3.567 -9.012 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.391 -3.524 -8.324 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.432 -4.445 -10.417 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.005 -4.400 -11.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.482 -6.597 -10.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.821 -5.976 -9.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.296 -6.020 -8.805 1.00 0.00 H new ATOM 371 N ALA A 24 9.376 2.284 -8.123 1.00 0.00 N ATOM 372 CA ALA A 24 9.542 3.482 -7.315 1.00 0.00 C ATOM 373 C ALA A 24 9.570 3.113 -5.832 1.00 0.00 C ATOM 374 O ALA A 24 8.711 2.374 -5.355 1.00 0.00 O ATOM 375 CB ALA A 24 8.424 4.479 -7.628 1.00 0.00 C ATOM 0 H ALA A 24 8.401 2.066 -8.330 1.00 0.00 H new ATOM 0 HA ALA A 24 10.492 3.958 -7.557 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.554 5.374 -7.020 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.462 4.749 -8.683 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.459 4.025 -7.404 1.00 0.00 H new ATOM 381 N PHE A 25 10.575 3.631 -5.121 1.00 0.00 N ATOM 382 CA PHE A 25 10.730 3.549 -3.676 1.00 0.00 C ATOM 383 C PHE A 25 10.922 4.965 -3.130 1.00 0.00 C ATOM 384 O PHE A 25 11.010 5.913 -3.905 1.00 0.00 O ATOM 385 CB PHE A 25 11.946 2.662 -3.359 1.00 0.00 C ATOM 386 CG PHE A 25 11.706 1.192 -3.649 1.00 0.00 C ATOM 387 CD1 PHE A 25 11.794 0.709 -4.969 1.00 0.00 C ATOM 388 CD2 PHE A 25 11.343 0.314 -2.609 1.00 0.00 C ATOM 389 CE1 PHE A 25 11.481 -0.630 -5.254 1.00 0.00 C ATOM 390 CE2 PHE A 25 11.062 -1.034 -2.892 1.00 0.00 C ATOM 391 CZ PHE A 25 11.117 -1.504 -4.215 1.00 0.00 C ATOM 0 H PHE A 25 11.337 4.143 -5.564 1.00 0.00 H new ATOM 0 HA PHE A 25 9.849 3.108 -3.209 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.800 3.006 -3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.209 2.780 -2.308 1.00 0.00 H new ATOM 0 HD1 PHE A 25 12.103 1.371 -5.765 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.281 0.677 -1.594 1.00 0.00 H new ATOM 0 HE1 PHE A 25 11.520 -0.988 -6.272 1.00 0.00 H new ATOM 0 HE2 PHE A 25 10.803 -1.710 -2.091 1.00 0.00 H new ATOM 0 HZ PHE A 25 10.880 -2.535 -4.433 1.00 0.00 H new ATOM 401 N HIS A 26 10.931 5.112 -1.802 1.00 0.00 N ATOM 402 CA HIS A 26 11.351 6.337 -1.133 1.00 0.00 C ATOM 403 C HIS A 26 12.659 6.037 -0.416 1.00 0.00 C ATOM 404 O HIS A 26 13.033 4.876 -0.259 1.00 0.00 O ATOM 405 CB HIS A 26 10.344 6.801 -0.075 1.00 0.00 C ATOM 406 CG HIS A 26 9.029 7.297 -0.601 1.00 0.00 C ATOM 407 ND1 HIS A 26 7.866 6.537 -0.675 1.00 0.00 N ATOM 408 CD2 HIS A 26 8.754 8.593 -0.931 1.00 0.00 C ATOM 409 CE1 HIS A 26 6.911 7.393 -1.070 1.00 0.00 C ATOM 410 NE2 HIS A 26 7.415 8.628 -1.235 1.00 0.00 N ATOM 0 H HIS A 26 10.643 4.374 -1.159 1.00 0.00 H new ATOM 0 HA HIS A 26 11.442 7.122 -1.884 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.152 5.972 0.606 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.803 7.596 0.512 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.447 9.421 -0.949 1.00 0.00 H new ATOM 0 HE1 HIS A 26 5.877 7.126 -1.233 1.00 0.00 H new ATOM 0 HE2 HIS A 26 6.892 9.451 -1.535 1.00 0.00 H new ATOM 418 N LEU A 27 13.333 7.087 0.059 1.00 0.00 N ATOM 419 CA LEU A 27 14.460 6.931 0.965 1.00 0.00 C ATOM 420 C LEU A 27 13.993 6.219 2.237 1.00 0.00 C ATOM 421 O LEU A 27 14.702 5.364 2.754 1.00 0.00 O ATOM 422 CB LEU A 27 15.068 8.294 1.302 1.00 0.00 C ATOM 423 CG LEU A 27 15.494 9.100 0.066 1.00 0.00 C ATOM 424 CD1 LEU A 27 16.042 10.446 0.541 1.00 0.00 C ATOM 425 CD2 LEU A 27 16.565 8.387 -0.765 1.00 0.00 C ATOM 0 H LEU A 27 13.112 8.055 -0.173 1.00 0.00 H new ATOM 0 HA LEU A 27 15.230 6.330 0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 27 14.343 8.875 1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.935 8.147 1.946 1.00 0.00 H new ATOM 0 HG LEU A 27 14.621 9.223 -0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 27 16.352 11.037 -0.321 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.267 10.982 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.899 10.280 1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 27 16.827 9.003 -1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.451 8.223 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 27 16.179 7.427 -1.109 1.00 0.00 H new ATOM 437 N PHE A 28 12.776 6.540 2.700 1.00 0.00 N ATOM 438 CA PHE A 28 12.089 5.864 3.796 1.00 0.00 C ATOM 439 C PHE A 28 12.104 4.343 3.611 1.00 0.00 C ATOM 440 O PHE A 28 12.479 3.608 4.523 1.00 0.00 O ATOM 441 CB PHE A 28 10.643 6.375 3.917 1.00 0.00 C ATOM 442 CG PHE A 28 10.435 7.864 3.689 1.00 0.00 C ATOM 443 CD1 PHE A 28 11.293 8.809 4.286 1.00 0.00 C ATOM 444 CD2 PHE A 28 9.418 8.302 2.817 1.00 0.00 C ATOM 445 CE1 PHE A 28 11.166 10.173 3.972 1.00 0.00 C ATOM 446 CE2 PHE A 28 9.305 9.663 2.492 1.00 0.00 C ATOM 447 CZ PHE A 28 10.177 10.600 3.069 1.00 0.00 C ATOM 0 H PHE A 28 12.229 7.305 2.304 1.00 0.00 H new ATOM 0 HA PHE A 28 12.623 6.093 4.718 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.026 5.830 3.203 1.00 0.00 H new ATOM 0 HB3 PHE A 28 10.274 6.126 4.912 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.049 8.485 4.986 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.724 7.589 2.398 1.00 0.00 H new ATOM 0 HE1 PHE A 28 11.830 10.894 4.425 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.546 9.990 1.797 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.088 11.647 2.819 1.00 0.00 H new ATOM 457 N CYS A 29 11.683 3.883 2.426 1.00 0.00 N ATOM 458 CA CYS A 29 11.421 2.480 2.128 1.00 0.00 C ATOM 459 C CYS A 29 12.735 1.747 1.843 1.00 0.00 C ATOM 460 O CYS A 29 12.913 0.603 2.253 1.00 0.00 O ATOM 461 CB CYS A 29 10.468 2.384 0.928 1.00 0.00 C ATOM 462 SG CYS A 29 9.027 3.479 1.009 1.00 0.00 S ATOM 0 H CYS A 29 11.512 4.498 1.630 1.00 0.00 H new ATOM 0 HA CYS A 29 10.951 2.005 2.989 1.00 0.00 H new ATOM 0 HB2 CYS A 29 11.027 2.610 0.020 1.00 0.00 H new ATOM 0 HB3 CYS A 29 10.120 1.355 0.841 1.00 0.00 H new ATOM 467 N LEU A 30 13.646 2.424 1.131 1.00 0.00 N ATOM 468 CA LEU A 30 14.998 1.979 0.834 1.00 0.00 C ATOM 469 C LEU A 30 15.763 1.744 2.138 1.00 0.00 C ATOM 470 O LEU A 30 16.098 0.608 2.468 1.00 0.00 O ATOM 471 CB LEU A 30 15.645 3.035 -0.082 1.00 0.00 C ATOM 472 CG LEU A 30 16.982 2.656 -0.736 1.00 0.00 C ATOM 473 CD1 LEU A 30 17.307 3.713 -1.799 1.00 0.00 C ATOM 474 CD2 LEU A 30 18.156 2.578 0.247 1.00 0.00 C ATOM 0 H LEU A 30 13.442 3.340 0.731 1.00 0.00 H new ATOM 0 HA LEU A 30 15.009 1.024 0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 30 14.936 3.279 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 30 15.797 3.944 0.501 1.00 0.00 H new ATOM 0 HG LEU A 30 16.861 1.658 -1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 30 18.254 3.467 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.515 3.732 -2.547 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.384 4.692 -1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 30 19.064 2.305 -0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.295 3.548 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 30 17.945 1.826 1.007 1.00 0.00 H new ATOM 486 N ARG A 31 16.034 2.829 2.868 1.00 0.00 N ATOM 487 CA ARG A 31 16.727 2.836 4.146 1.00 0.00 C ATOM 488 C ARG A 31 16.550 4.235 4.752 1.00 0.00 C ATOM 489 O ARG A 31 17.191 5.172 4.280 1.00 0.00 O ATOM 490 CB ARG A 31 18.213 2.496 3.944 1.00 0.00 C ATOM 491 CG ARG A 31 18.962 2.435 5.279 1.00 0.00 C ATOM 492 CD ARG A 31 20.449 2.159 5.038 1.00 0.00 C ATOM 493 NE ARG A 31 21.195 2.086 6.301 1.00 0.00 N ATOM 494 CZ ARG A 31 21.254 1.013 7.111 1.00 0.00 C ATOM 495 NH1 ARG A 31 20.590 -0.114 6.812 1.00 0.00 N ATOM 496 NH2 ARG A 31 21.985 1.072 8.231 1.00 0.00 N ATOM 0 H ARG A 31 15.762 3.764 2.566 1.00 0.00 H new ATOM 0 HA ARG A 31 16.317 2.085 4.821 1.00 0.00 H new ATOM 0 HB2 ARG A 31 18.302 1.538 3.432 1.00 0.00 H new ATOM 0 HB3 ARG A 31 18.674 3.245 3.301 1.00 0.00 H new ATOM 0 HG2 ARG A 31 18.841 3.376 5.815 1.00 0.00 H new ATOM 0 HG3 ARG A 31 18.537 1.653 5.908 1.00 0.00 H new ATOM 0 HD2 ARG A 31 20.562 1.222 4.493 1.00 0.00 H new ATOM 0 HD3 ARG A 31 20.869 2.946 4.411 1.00 0.00 H new ATOM 0 HE ARG A 31 21.711 2.918 6.588 1.00 0.00 H new ATOM 0 HH11 ARG A 31 20.031 -0.166 5.961 1.00 0.00 H new ATOM 0 HH12 ARG A 31 20.645 -0.919 7.436 1.00 0.00 H new ATOM 0 HH21 ARG A 31 22.492 1.926 8.465 1.00 0.00 H new ATOM 0 HH22 ARG A 31 22.035 0.263 8.851 1.00 0.00 H new ATOM 510 N PRO A 32 15.718 4.394 5.796 1.00 0.00 N ATOM 511 CA PRO A 32 15.292 5.694 6.307 1.00 0.00 C ATOM 512 C PRO A 32 16.435 6.562 6.848 1.00 0.00 C ATOM 513 O PRO A 32 16.245 7.762 7.027 1.00 0.00 O ATOM 514 CB PRO A 32 14.276 5.374 7.405 1.00 0.00 C ATOM 515 CG PRO A 32 14.803 4.056 7.969 1.00 0.00 C ATOM 516 CD PRO A 32 15.329 3.343 6.723 1.00 0.00 C ATOM 0 HA PRO A 32 14.874 6.293 5.498 1.00 0.00 H new ATOM 0 HB2 PRO A 32 14.240 6.155 8.165 1.00 0.00 H new ATOM 0 HB3 PRO A 32 13.267 5.270 7.006 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.590 4.217 8.706 1.00 0.00 H new ATOM 0 HG3 PRO A 32 14.017 3.483 8.462 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.178 2.704 6.968 1.00 0.00 H new ATOM 0 HD3 PRO A 32 14.563 2.702 6.287 1.00 0.00 H new ATOM 524 N ALA A 33 17.615 5.978 7.101 1.00 0.00 N ATOM 525 CA ALA A 33 18.833 6.715 7.410 1.00 0.00 C ATOM 526 C ALA A 33 19.165 7.771 6.350 1.00 0.00 C ATOM 527 O ALA A 33 19.700 8.827 6.685 1.00 0.00 O ATOM 528 CB ALA A 33 19.997 5.733 7.571 1.00 0.00 C ATOM 0 H ALA A 33 17.744 4.966 7.095 1.00 0.00 H new ATOM 0 HA ALA A 33 18.668 7.251 8.345 1.00 0.00 H new ATOM 0 HB1 ALA A 33 20.909 6.284 7.802 1.00 0.00 H new ATOM 0 HB2 ALA A 33 19.777 5.038 8.382 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.135 5.177 6.644 1.00 0.00 H new ATOM 534 N LEU A 34 18.862 7.485 5.079 1.00 0.00 N ATOM 535 CA LEU A 34 18.984 8.451 3.997 1.00 0.00 C ATOM 536 C LEU A 34 17.858 9.481 4.087 1.00 0.00 C ATOM 537 O LEU A 34 16.700 9.124 4.298 1.00 0.00 O ATOM 538 CB LEU A 34 18.973 7.754 2.633 1.00 0.00 C ATOM 539 CG LEU A 34 20.304 7.084 2.253 1.00 0.00 C ATOM 540 CD1 LEU A 34 21.447 8.086 2.039 1.00 0.00 C ATOM 541 CD2 LEU A 34 20.736 5.979 3.223 1.00 0.00 C ATOM 0 H LEU A 34 18.524 6.571 4.777 1.00 0.00 H new ATOM 0 HA LEU A 34 19.940 8.965 4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.186 7.000 2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.716 8.485 1.867 1.00 0.00 H new ATOM 0 HG LEU A 34 20.096 6.609 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 34 22.357 7.548 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 34 21.183 8.772 1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 34 21.613 8.650 2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 34 21.683 5.553 2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 34 20.858 6.399 4.222 1.00 0.00 H new ATOM 0 HD23 LEU A 34 19.975 5.199 3.247 1.00 0.00 H new ATOM 553 N TYR A 35 18.217 10.758 3.910 1.00 0.00 N ATOM 554 CA TYR A 35 17.292 11.877 3.748 1.00 0.00 C ATOM 555 C TYR A 35 17.614 12.654 2.470 1.00 0.00 C ATOM 556 O TYR A 35 16.706 13.164 1.812 1.00 0.00 O ATOM 557 CB TYR A 35 17.342 12.767 4.993 1.00 0.00 C ATOM 558 CG TYR A 35 16.973 12.028 6.265 1.00 0.00 C ATOM 559 CD1 TYR A 35 15.626 11.709 6.524 1.00 0.00 C ATOM 560 CD2 TYR A 35 17.980 11.547 7.124 1.00 0.00 C ATOM 561 CE1 TYR A 35 15.287 10.937 7.648 1.00 0.00 C ATOM 562 CE2 TYR A 35 17.641 10.773 8.247 1.00 0.00 C ATOM 563 CZ TYR A 35 16.293 10.466 8.508 1.00 0.00 C ATOM 564 OH TYR A 35 15.961 9.707 9.592 1.00 0.00 O ATOM 0 H TYR A 35 19.195 11.047 3.875 1.00 0.00 H new ATOM 0 HA TYR A 35 16.274 11.502 3.645 1.00 0.00 H new ATOM 0 HB2 TYR A 35 18.345 13.180 5.097 1.00 0.00 H new ATOM 0 HB3 TYR A 35 16.663 13.609 4.858 1.00 0.00 H new ATOM 0 HD1 TYR A 35 14.852 12.059 5.857 1.00 0.00 H new ATOM 0 HD2 TYR A 35 19.016 11.774 6.919 1.00 0.00 H new ATOM 0 HE1 TYR A 35 14.252 10.705 7.851 1.00 0.00 H new ATOM 0 HE2 TYR A 35 18.415 10.414 8.909 1.00 0.00 H new ATOM 0 HH TYR A 35 16.774 9.462 10.081 1.00 0.00 H new ATOM 574 N GLU A 36 18.902 12.741 2.120 1.00 0.00 N ATOM 575 CA GLU A 36 19.360 13.236 0.830 1.00 0.00 C ATOM 576 C GLU A 36 19.166 12.146 -0.229 1.00 0.00 C ATOM 577 O GLU A 36 19.234 10.958 0.082 1.00 0.00 O ATOM 578 CB GLU A 36 20.826 13.681 0.924 1.00 0.00 C ATOM 579 CG GLU A 36 21.794 12.542 1.277 1.00 0.00 C ATOM 580 CD GLU A 36 23.219 13.065 1.423 1.00 0.00 C ATOM 581 OE1 GLU A 36 23.540 13.530 2.539 1.00 0.00 O ATOM 582 OE2 GLU A 36 23.958 12.996 0.419 1.00 0.00 O ATOM 0 H GLU A 36 19.663 12.463 2.740 1.00 0.00 H new ATOM 0 HA GLU A 36 18.773 14.106 0.537 1.00 0.00 H new ATOM 0 HB2 GLU A 36 21.126 14.119 -0.028 1.00 0.00 H new ATOM 0 HB3 GLU A 36 20.911 14.465 1.676 1.00 0.00 H new ATOM 0 HG2 GLU A 36 21.480 12.067 2.206 1.00 0.00 H new ATOM 0 HG3 GLU A 36 21.761 11.777 0.501 1.00 0.00 H new ATOM 589 N VAL A 37 18.912 12.554 -1.477 1.00 0.00 N ATOM 590 CA VAL A 37 18.761 11.634 -2.597 1.00 0.00 C ATOM 591 C VAL A 37 20.155 11.211 -3.077 1.00 0.00 C ATOM 592 O VAL A 37 21.006 12.077 -3.273 1.00 0.00 O ATOM 593 CB VAL A 37 17.951 12.299 -3.724 1.00 0.00 C ATOM 594 CG1 VAL A 37 17.756 11.337 -4.904 1.00 0.00 C ATOM 595 CG2 VAL A 37 16.569 12.743 -3.224 1.00 0.00 C ATOM 0 H VAL A 37 18.806 13.535 -1.734 1.00 0.00 H new ATOM 0 HA VAL A 37 18.212 10.745 -2.285 1.00 0.00 H new ATOM 0 HB VAL A 37 18.518 13.170 -4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 37 17.181 11.832 -5.686 1.00 0.00 H new ATOM 0 HG12 VAL A 37 18.729 11.044 -5.299 1.00 0.00 H new ATOM 0 HG13 VAL A 37 17.220 10.450 -4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 37 16.019 13.209 -4.041 1.00 0.00 H new ATOM 0 HG22 VAL A 37 16.017 11.875 -2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 37 16.689 13.460 -2.412 1.00 0.00 H new ATOM 605 N PRO A 38 20.416 9.905 -3.265 1.00 0.00 N ATOM 606 CA PRO A 38 21.622 9.439 -3.925 1.00 0.00 C ATOM 607 C PRO A 38 21.369 9.430 -5.430 1.00 0.00 C ATOM 608 O PRO A 38 20.918 8.427 -5.982 1.00 0.00 O ATOM 609 CB PRO A 38 21.889 8.042 -3.360 1.00 0.00 C ATOM 610 CG PRO A 38 20.491 7.525 -3.026 1.00 0.00 C ATOM 611 CD PRO A 38 19.714 8.788 -2.647 1.00 0.00 C ATOM 0 HA PRO A 38 22.493 10.072 -3.753 1.00 0.00 H new ATOM 0 HB2 PRO A 38 22.391 7.403 -4.087 1.00 0.00 H new ATOM 0 HB3 PRO A 38 22.526 8.080 -2.476 1.00 0.00 H new ATOM 0 HG2 PRO A 38 20.038 7.018 -3.878 1.00 0.00 H new ATOM 0 HG3 PRO A 38 20.515 6.809 -2.205 1.00 0.00 H new ATOM 0 HD2 PRO A 38 18.685 8.732 -3.002 1.00 0.00 H new ATOM 0 HD3 PRO A 38 19.671 8.907 -1.564 1.00 0.00 H new ATOM 619 N ASP A 39 21.666 10.554 -6.091 1.00 0.00 N ATOM 620 CA ASP A 39 21.550 10.702 -7.535 1.00 0.00 C ATOM 621 C ASP A 39 22.732 10.017 -8.231 1.00 0.00 C ATOM 622 O ASP A 39 23.549 10.668 -8.880 1.00 0.00 O ATOM 623 CB ASP A 39 21.445 12.191 -7.891 1.00 0.00 C ATOM 624 CG ASP A 39 20.200 12.826 -7.275 1.00 0.00 C ATOM 625 OD1 ASP A 39 19.124 12.685 -7.895 1.00 0.00 O ATOM 626 OD2 ASP A 39 20.346 13.430 -6.191 1.00 0.00 O ATOM 0 H ASP A 39 21.999 11.398 -5.624 1.00 0.00 H new ATOM 0 HA ASP A 39 20.643 10.213 -7.890 1.00 0.00 H new ATOM 0 HB2 ASP A 39 22.334 12.714 -7.539 1.00 0.00 H new ATOM 0 HB3 ASP A 39 21.416 12.306 -8.974 1.00 0.00 H new ATOM 631 N GLY A 40 22.808 8.689 -8.088 1.00 0.00 N ATOM 632 CA GLY A 40 23.710 7.820 -8.823 1.00 0.00 C ATOM 633 C GLY A 40 23.022 6.489 -9.122 1.00 0.00 C ATOM 634 O GLY A 40 21.802 6.376 -9.008 1.00 0.00 O ATOM 0 H GLY A 40 22.218 8.179 -7.431 1.00 0.00 H new ATOM 0 HA2 GLY A 40 24.013 8.300 -9.754 1.00 0.00 H new ATOM 0 HA3 GLY A 40 24.617 7.648 -8.243 1.00 0.00 H new ATOM 638 N GLU A 41 23.813 5.479 -9.502 1.00 0.00 N ATOM 639 CA GLU A 41 23.320 4.136 -9.772 1.00 0.00 C ATOM 640 C GLU A 41 22.732 3.528 -8.494 1.00 0.00 C ATOM 641 O GLU A 41 23.381 3.535 -7.450 1.00 0.00 O ATOM 642 CB GLU A 41 24.463 3.275 -10.325 1.00 0.00 C ATOM 643 CG GLU A 41 23.975 1.892 -10.773 1.00 0.00 C ATOM 644 CD GLU A 41 25.128 1.052 -11.310 1.00 0.00 C ATOM 645 OE1 GLU A 41 25.520 1.299 -12.472 1.00 0.00 O ATOM 646 OE2 GLU A 41 25.609 0.188 -10.545 1.00 0.00 O ATOM 0 H GLU A 41 24.820 5.578 -9.630 1.00 0.00 H new ATOM 0 HA GLU A 41 22.527 4.176 -10.519 1.00 0.00 H new ATOM 0 HB2 GLU A 41 24.927 3.787 -11.168 1.00 0.00 H new ATOM 0 HB3 GLU A 41 25.232 3.158 -9.561 1.00 0.00 H new ATOM 0 HG2 GLU A 41 23.507 1.378 -9.933 1.00 0.00 H new ATOM 0 HG3 GLU A 41 23.212 2.004 -11.544 1.00 0.00 H new ATOM 653 N TRP A 42 21.502 3.010 -8.587 1.00 0.00 N ATOM 654 CA TRP A 42 20.878 2.211 -7.546 1.00 0.00 C ATOM 655 C TRP A 42 19.883 1.243 -8.187 1.00 0.00 C ATOM 656 O TRP A 42 19.291 1.553 -9.220 1.00 0.00 O ATOM 657 CB TRP A 42 20.182 3.120 -6.525 1.00 0.00 C ATOM 658 CG TRP A 42 19.451 2.390 -5.439 1.00 0.00 C ATOM 659 CD1 TRP A 42 20.028 1.792 -4.373 1.00 0.00 C ATOM 660 CD2 TRP A 42 18.024 2.094 -5.337 1.00 0.00 C ATOM 661 NE1 TRP A 42 19.067 1.149 -3.623 1.00 0.00 N ATOM 662 CE2 TRP A 42 17.811 1.295 -4.176 1.00 0.00 C ATOM 663 CE3 TRP A 42 16.888 2.403 -6.116 1.00 0.00 C ATOM 664 CZ2 TRP A 42 16.543 0.823 -3.811 1.00 0.00 C ATOM 665 CZ3 TRP A 42 15.606 1.951 -5.749 1.00 0.00 C ATOM 666 CH2 TRP A 42 15.434 1.161 -4.600 1.00 0.00 C ATOM 0 H TRP A 42 20.908 3.141 -9.406 1.00 0.00 H new ATOM 0 HA TRP A 42 21.639 1.637 -7.016 1.00 0.00 H new ATOM 0 HB2 TRP A 42 20.928 3.771 -6.069 1.00 0.00 H new ATOM 0 HB3 TRP A 42 19.477 3.763 -7.051 1.00 0.00 H new ATOM 0 HD1 TRP A 42 21.083 1.815 -4.144 1.00 0.00 H new ATOM 0 HE1 TRP A 42 19.260 0.630 -2.766 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.004 2.997 -7.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 16.421 0.206 -2.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 14.750 2.213 -6.354 1.00 0.00 H new ATOM 0 HH2 TRP A 42 14.449 0.814 -4.325 1.00 0.00 H new ATOM 677 N GLN A 43 19.701 0.072 -7.564 1.00 0.00 N ATOM 678 CA GLN A 43 18.652 -0.874 -7.904 1.00 0.00 C ATOM 679 C GLN A 43 17.988 -1.411 -6.637 1.00 0.00 C ATOM 680 O GLN A 43 18.549 -1.322 -5.546 1.00 0.00 O ATOM 681 CB GLN A 43 19.192 -1.978 -8.831 1.00 0.00 C ATOM 682 CG GLN A 43 20.471 -2.675 -8.341 1.00 0.00 C ATOM 683 CD GLN A 43 20.270 -3.457 -7.045 1.00 0.00 C ATOM 684 OE1 GLN A 43 19.433 -4.353 -6.981 1.00 0.00 O ATOM 685 NE2 GLN A 43 21.042 -3.133 -6.007 1.00 0.00 N ATOM 0 H GLN A 43 20.294 -0.242 -6.796 1.00 0.00 H new ATOM 0 HA GLN A 43 17.871 -0.363 -8.468 1.00 0.00 H new ATOM 0 HB2 GLN A 43 18.415 -2.731 -8.964 1.00 0.00 H new ATOM 0 HB3 GLN A 43 19.387 -1.544 -9.812 1.00 0.00 H new ATOM 0 HG2 GLN A 43 20.827 -3.354 -9.116 1.00 0.00 H new ATOM 0 HG3 GLN A 43 21.250 -1.927 -8.190 1.00 0.00 H new ATOM 0 HE21 GLN A 43 21.727 -2.383 -6.096 1.00 0.00 H new ATOM 0 HE22 GLN A 43 20.947 -3.635 -5.124 1.00 0.00 H new ATOM 694 N CYS A 44 16.775 -1.948 -6.793 1.00 0.00 N ATOM 695 CA CYS A 44 15.895 -2.312 -5.693 1.00 0.00 C ATOM 696 C CYS A 44 16.147 -3.755 -5.240 1.00 0.00 C ATOM 697 O CYS A 44 16.650 -4.563 -6.020 1.00 0.00 O ATOM 698 CB CYS A 44 14.436 -2.079 -6.104 1.00 0.00 C ATOM 699 SG CYS A 44 13.861 -2.981 -7.566 1.00 0.00 S ATOM 0 H CYS A 44 16.374 -2.144 -7.710 1.00 0.00 H new ATOM 0 HA CYS A 44 16.110 -1.676 -4.834 1.00 0.00 H new ATOM 0 HB2 CYS A 44 13.797 -2.347 -5.263 1.00 0.00 H new ATOM 0 HB3 CYS A 44 14.297 -1.013 -6.283 1.00 0.00 H new ATOM 704 N PRO A 45 15.759 -4.098 -3.997 1.00 0.00 N ATOM 705 CA PRO A 45 15.732 -5.469 -3.496 1.00 0.00 C ATOM 706 C PRO A 45 14.841 -6.463 -4.256 1.00 0.00 C ATOM 707 O PRO A 45 14.707 -7.601 -3.808 1.00 0.00 O ATOM 708 CB PRO A 45 15.309 -5.360 -2.031 1.00 0.00 C ATOM 709 CG PRO A 45 15.925 -4.030 -1.612 1.00 0.00 C ATOM 710 CD PRO A 45 15.769 -3.174 -2.870 1.00 0.00 C ATOM 0 HA PRO A 45 16.724 -5.899 -3.638 1.00 0.00 H new ATOM 0 HB2 PRO A 45 14.225 -5.359 -1.920 1.00 0.00 H new ATOM 0 HB3 PRO A 45 15.689 -6.190 -1.435 1.00 0.00 H new ATOM 0 HG2 PRO A 45 15.405 -3.594 -0.759 1.00 0.00 H new ATOM 0 HG3 PRO A 45 16.971 -4.141 -1.325 1.00 0.00 H new ATOM 0 HD2 PRO A 45 14.846 -2.595 -2.834 1.00 0.00 H new ATOM 0 HD3 PRO A 45 16.589 -2.461 -2.959 1.00 0.00 H new ATOM 718 N ALA A 46 14.213 -6.060 -5.369 1.00 0.00 N ATOM 719 CA ALA A 46 13.540 -6.979 -6.277 1.00 0.00 C ATOM 720 C ALA A 46 14.540 -7.559 -7.281 1.00 0.00 C ATOM 721 O ALA A 46 14.403 -8.718 -7.667 1.00 0.00 O ATOM 722 CB ALA A 46 12.388 -6.273 -6.997 1.00 0.00 C ATOM 0 H ALA A 46 14.161 -5.084 -5.660 1.00 0.00 H new ATOM 0 HA ALA A 46 13.122 -7.802 -5.697 1.00 0.00 H new ATOM 0 HB1 ALA A 46 11.896 -6.974 -7.671 1.00 0.00 H new ATOM 0 HB2 ALA A 46 11.668 -5.910 -6.263 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.778 -5.432 -7.570 1.00 0.00 H new ATOM 728 N CYS A 47 15.528 -6.763 -7.722 1.00 0.00 N ATOM 729 CA CYS A 47 16.525 -7.195 -8.687 1.00 0.00 C ATOM 730 C CYS A 47 17.539 -8.106 -7.996 1.00 0.00 C ATOM 731 O CYS A 47 17.567 -9.309 -8.250 1.00 0.00 O ATOM 732 CB CYS A 47 17.199 -5.982 -9.333 1.00 0.00 C ATOM 733 SG CYS A 47 16.094 -4.787 -10.115 1.00 0.00 S ATOM 0 H CYS A 47 15.649 -5.799 -7.411 1.00 0.00 H new ATOM 0 HA CYS A 47 16.045 -7.762 -9.485 1.00 0.00 H new ATOM 0 HB2 CYS A 47 17.780 -5.465 -8.570 1.00 0.00 H new ATOM 0 HB3 CYS A 47 17.905 -6.340 -10.083 1.00 0.00 H new ATOM 738 N GLN A 48 18.370 -7.528 -7.120 1.00 0.00 N ATOM 739 CA GLN A 48 19.237 -8.273 -6.225 1.00 0.00 C ATOM 740 C GLN A 48 18.414 -8.728 -5.015 1.00 0.00 C ATOM 741 O GLN A 48 17.414 -8.092 -4.692 1.00 0.00 O ATOM 742 CB GLN A 48 20.392 -7.371 -5.784 1.00 0.00 C ATOM 743 CG GLN A 48 21.317 -7.032 -6.963 1.00 0.00 C ATOM 744 CD GLN A 48 22.429 -6.061 -6.571 1.00 0.00 C ATOM 745 OE1 GLN A 48 22.674 -5.818 -5.392 1.00 0.00 O ATOM 746 NE2 GLN A 48 23.104 -5.488 -7.570 1.00 0.00 N ATOM 0 H GLN A 48 18.453 -6.516 -7.019 1.00 0.00 H new ATOM 0 HA GLN A 48 19.649 -9.149 -6.726 1.00 0.00 H new ATOM 0 HB2 GLN A 48 19.995 -6.451 -5.355 1.00 0.00 H new ATOM 0 HB3 GLN A 48 20.965 -7.867 -5.000 1.00 0.00 H new ATOM 0 HG2 GLN A 48 21.760 -7.950 -7.349 1.00 0.00 H new ATOM 0 HG3 GLN A 48 20.727 -6.598 -7.771 1.00 0.00 H new ATOM 0 HE21 GLN A 48 22.873 -5.714 -8.537 1.00 0.00 H new ATOM 0 HE22 GLN A 48 23.851 -4.824 -7.366 1.00 0.00 H new ATOM 755 N PRO A 49 18.806 -9.821 -4.341 1.00 0.00 N ATOM 756 CA PRO A 49 18.223 -10.188 -3.059 1.00 0.00 C ATOM 757 C PRO A 49 18.480 -9.140 -1.974 1.00 0.00 C ATOM 758 O PRO A 49 19.398 -8.327 -2.087 1.00 0.00 O ATOM 759 CB PRO A 49 18.845 -11.536 -2.699 1.00 0.00 C ATOM 760 CG PRO A 49 19.051 -12.174 -4.072 1.00 0.00 C ATOM 761 CD PRO A 49 19.437 -10.981 -4.949 1.00 0.00 C ATOM 0 HA PRO A 49 17.137 -10.249 -3.130 1.00 0.00 H new ATOM 0 HB2 PRO A 49 19.785 -11.419 -2.159 1.00 0.00 H new ATOM 0 HB3 PRO A 49 18.187 -12.133 -2.068 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.835 -12.931 -4.052 1.00 0.00 H new ATOM 0 HG3 PRO A 49 18.145 -12.663 -4.430 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.520 -10.860 -4.990 1.00 0.00 H new ATOM 0 HD3 PRO A 49 19.092 -11.121 -5.974 1.00 0.00 H new ATOM 769 N ALA A 50 17.666 -9.176 -0.913 1.00 0.00 N ATOM 770 CA ALA A 50 17.887 -8.406 0.303 1.00 0.00 C ATOM 771 C ALA A 50 19.027 -9.037 1.110 1.00 0.00 C ATOM 772 O ALA A 50 18.789 -9.726 2.099 1.00 0.00 O ATOM 773 CB ALA A 50 16.585 -8.341 1.108 1.00 0.00 C ATOM 0 H ALA A 50 16.824 -9.751 -0.881 1.00 0.00 H new ATOM 0 HA ALA A 50 18.180 -7.385 0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 50 16.749 -7.765 2.019 1.00 0.00 H new ATOM 0 HB2 ALA A 50 15.811 -7.861 0.509 1.00 0.00 H new ATOM 0 HB3 ALA A 50 16.268 -9.351 1.369 1.00 0.00 H new ATOM 779 N THR A 51 20.266 -8.799 0.666 1.00 0.00 N ATOM 780 CA THR A 51 21.478 -9.189 1.368 1.00 0.00 C ATOM 781 C THR A 51 21.632 -8.360 2.646 1.00 0.00 C ATOM 782 O THR A 51 21.720 -7.119 2.510 1.00 0.00 O ATOM 783 CB THR A 51 22.689 -9.000 0.443 1.00 0.00 C ATOM 784 OG1 THR A 51 22.718 -7.672 -0.042 1.00 0.00 O ATOM 785 CG2 THR A 51 22.650 -9.965 -0.746 1.00 0.00 C ATOM 786 OXT THR A 51 21.667 -8.980 3.731 1.00 0.00 O ATOM 0 H THR A 51 20.450 -8.317 -0.214 1.00 0.00 H new ATOM 0 HA THR A 51 21.415 -10.240 1.650 1.00 0.00 H new ATOM 0 HB THR A 51 23.585 -9.210 1.027 1.00 0.00 H new ATOM 0 HG1 THR A 51 22.438 -7.058 0.669 1.00 0.00 H new ATOM 0 HG21 THR A 51 23.523 -9.800 -1.377 1.00 0.00 H new ATOM 0 HG22 THR A 51 22.654 -10.992 -0.381 1.00 0.00 H new ATOM 0 HG23 THR A 51 21.744 -9.790 -1.327 1.00 0.00 H new TER 794 THR A 51 HETATM 795 ZN ZN A 52 7.451 4.518 -0.300 1.00 0.00 ZN HETATM 796 ZN ZN A 53 14.611 -3.080 -9.735 1.00 0.00 ZN