USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=8 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+ -163:sc= 1.01 (180deg=0.807) USER MOD Single : A 4 LYS NZ :NH3+ 137:sc= 0.521 (180deg=-0.0237) USER MOD Single : A 8 LYS NZ :NH3+ 175:sc= 1.1 (180deg=0.895) USER MOD Single : A 9 LYS NZ :NH3+ -174:sc= 1.14 (180deg=0.979) USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 1.69 (180deg=1.62) USER MOD Single : A 22 ASN : amide:sc= -0.0189 X(o=-0.019,f=-0.045) USER MOD Single : A 23 LYS NZ :NH3+ -150:sc= 0.907 (180deg=0.445) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.652 K(o=0.65,f=0) USER MOD Single : A 48 GLN : amide:sc= 0.396 K(o=0.4,f=-0.9) USER MOD Single : A 51 THR OG1 : rot 34:sc= 0.561 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.956 10.655 -3.429 1.00 0.00 N ATOM 2 CA ALA A 1 3.532 10.178 -4.758 1.00 0.00 C ATOM 3 C ALA A 1 3.398 8.655 -4.783 1.00 0.00 C ATOM 4 O ALA A 1 3.717 7.986 -3.802 1.00 0.00 O ATOM 5 CB ALA A 1 4.483 10.686 -5.848 1.00 0.00 C ATOM 0 H1 ALA A 1 3.765 11.674 -3.349 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.428 10.144 -2.692 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.974 10.483 -3.307 1.00 0.00 H new ATOM 0 HA ALA A 1 2.544 10.589 -4.968 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.150 10.321 -6.820 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.485 11.776 -5.850 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.491 10.322 -5.650 1.00 0.00 H new ATOM 13 N ARG A 2 2.911 8.119 -5.910 1.00 0.00 N ATOM 14 CA ARG A 2 2.503 6.727 -6.053 1.00 0.00 C ATOM 15 C ARG A 2 3.728 5.815 -6.185 1.00 0.00 C ATOM 16 O ARG A 2 4.094 5.375 -7.275 1.00 0.00 O ATOM 17 CB ARG A 2 1.520 6.587 -7.228 1.00 0.00 C ATOM 18 CG ARG A 2 0.074 6.950 -6.853 1.00 0.00 C ATOM 19 CD ARG A 2 -0.085 8.365 -6.282 1.00 0.00 C ATOM 20 NE ARG A 2 -1.496 8.765 -6.203 1.00 0.00 N ATOM 21 CZ ARG A 2 -2.359 8.439 -5.224 1.00 0.00 C ATOM 22 NH1 ARG A 2 -2.000 7.638 -4.211 1.00 0.00 N ATOM 23 NH2 ARG A 2 -3.607 8.926 -5.265 1.00 0.00 N ATOM 0 H ARG A 2 2.789 8.661 -6.766 1.00 0.00 H new ATOM 0 HA ARG A 2 1.977 6.405 -5.154 1.00 0.00 H new ATOM 0 HB2 ARG A 2 1.848 7.228 -8.046 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.547 5.561 -7.596 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -0.555 6.853 -7.738 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -0.292 6.230 -6.121 1.00 0.00 H new ATOM 0 HD2 ARG A 2 0.361 8.409 -5.289 1.00 0.00 H new ATOM 0 HD3 ARG A 2 0.459 9.073 -6.907 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.855 9.344 -6.962 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -1.053 7.260 -4.170 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -2.673 7.406 -3.481 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -3.892 9.535 -6.032 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -4.272 8.687 -4.529 1.00 0.00 H new ATOM 37 N CYS A 3 4.316 5.506 -5.029 1.00 0.00 N ATOM 38 CA CYS A 3 5.351 4.507 -4.811 1.00 0.00 C ATOM 39 C CYS A 3 4.750 3.107 -5.002 1.00 0.00 C ATOM 40 O CYS A 3 3.535 2.940 -4.937 1.00 0.00 O ATOM 41 CB CYS A 3 5.847 4.742 -3.376 1.00 0.00 C ATOM 42 SG CYS A 3 6.999 3.562 -2.642 1.00 0.00 S ATOM 0 H CYS A 3 4.061 5.982 -4.164 1.00 0.00 H new ATOM 0 HA CYS A 3 6.181 4.584 -5.513 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.320 5.724 -3.348 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.971 4.792 -2.729 1.00 0.00 H new ATOM 47 N LYS A 4 5.572 2.091 -5.286 1.00 0.00 N ATOM 48 CA LYS A 4 5.101 0.718 -5.389 1.00 0.00 C ATOM 49 C LYS A 4 4.786 0.147 -4.004 1.00 0.00 C ATOM 50 O LYS A 4 3.761 -0.509 -3.829 1.00 0.00 O ATOM 51 CB LYS A 4 6.132 -0.136 -6.137 1.00 0.00 C ATOM 52 CG LYS A 4 6.432 0.343 -7.568 1.00 0.00 C ATOM 53 CD LYS A 4 5.205 0.369 -8.491 1.00 0.00 C ATOM 54 CE LYS A 4 5.544 0.858 -9.908 1.00 0.00 C ATOM 55 NZ LYS A 4 6.318 -0.127 -10.687 1.00 0.00 N ATOM 0 H LYS A 4 6.573 2.202 -5.449 1.00 0.00 H new ATOM 0 HA LYS A 4 4.174 0.702 -5.961 1.00 0.00 H new ATOM 0 HB2 LYS A 4 7.061 -0.145 -5.567 1.00 0.00 H new ATOM 0 HB3 LYS A 4 5.773 -1.164 -6.178 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.860 1.344 -7.522 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.189 -0.307 -8.006 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.776 -0.632 -8.548 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.443 1.018 -8.059 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.620 1.087 -10.438 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.111 1.786 -9.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.943 -0.175 -11.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.317 0.161 -10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 6.240 -1.062 -10.239 1.00 0.00 H new ATOM 69 N VAL A 5 5.662 0.412 -3.029 1.00 0.00 N ATOM 70 CA VAL A 5 5.577 -0.108 -1.669 1.00 0.00 C ATOM 71 C VAL A 5 4.289 0.372 -0.990 1.00 0.00 C ATOM 72 O VAL A 5 3.402 -0.435 -0.714 1.00 0.00 O ATOM 73 CB VAL A 5 6.844 0.286 -0.885 1.00 0.00 C ATOM 74 CG1 VAL A 5 6.807 -0.194 0.571 1.00 0.00 C ATOM 75 CG2 VAL A 5 8.099 -0.288 -1.554 1.00 0.00 C ATOM 0 H VAL A 5 6.473 1.013 -3.174 1.00 0.00 H new ATOM 0 HA VAL A 5 5.530 -1.197 -1.692 1.00 0.00 H new ATOM 0 HB VAL A 5 6.876 1.376 -0.890 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.723 0.110 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 5 5.949 0.247 1.078 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.723 -1.281 0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 5 8.981 0.003 -0.983 1.00 0.00 H new ATOM 0 HG22 VAL A 5 8.030 -1.375 -1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.180 0.100 -2.569 1.00 0.00 H new ATOM 85 N CYS A 6 4.195 1.678 -0.712 1.00 0.00 N ATOM 86 CA CYS A 6 3.140 2.264 0.113 1.00 0.00 C ATOM 87 C CYS A 6 2.028 2.853 -0.759 1.00 0.00 C ATOM 88 O CYS A 6 0.849 2.646 -0.481 1.00 0.00 O ATOM 89 CB CYS A 6 3.729 3.303 1.075 1.00 0.00 C ATOM 90 SG CYS A 6 4.778 4.588 0.347 1.00 0.00 S ATOM 0 H CYS A 6 4.862 2.366 -1.061 1.00 0.00 H new ATOM 0 HA CYS A 6 2.688 1.477 0.716 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.904 3.791 1.594 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.312 2.775 1.829 1.00 0.00 H new ATOM 95 N ARG A 7 2.409 3.610 -1.794 1.00 0.00 N ATOM 96 CA ARG A 7 1.542 4.084 -2.868 1.00 0.00 C ATOM 97 C ARG A 7 0.567 5.199 -2.477 1.00 0.00 C ATOM 98 O ARG A 7 -0.139 5.714 -3.344 1.00 0.00 O ATOM 99 CB ARG A 7 0.838 2.890 -3.537 1.00 0.00 C ATOM 100 CG ARG A 7 0.405 3.205 -4.975 1.00 0.00 C ATOM 101 CD ARG A 7 0.326 1.919 -5.808 1.00 0.00 C ATOM 102 NE ARG A 7 0.168 2.212 -7.238 1.00 0.00 N ATOM 103 CZ ARG A 7 1.144 2.666 -8.044 1.00 0.00 C ATOM 104 NH1 ARG A 7 2.379 2.893 -7.572 1.00 0.00 N ATOM 105 NH2 ARG A 7 0.878 2.903 -9.335 1.00 0.00 N ATOM 0 H ARG A 7 3.374 3.920 -1.907 1.00 0.00 H new ATOM 0 HA ARG A 7 2.194 4.570 -3.594 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.508 2.031 -3.541 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.036 2.610 -2.949 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.566 3.701 -4.968 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.113 3.897 -5.431 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.229 1.329 -5.654 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.513 1.313 -5.465 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.752 2.060 -7.651 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.589 2.721 -6.589 1.00 0.00 H new ATOM 0 HH12 ARG A 7 3.108 3.237 -8.196 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.060 2.739 -9.701 1.00 0.00 H new ATOM 0 HH22 ARG A 7 1.613 3.247 -9.952 1.00 0.00 H new ATOM 119 N LYS A 8 0.569 5.640 -1.214 1.00 0.00 N ATOM 120 CA LYS A 8 -0.157 6.824 -0.793 1.00 0.00 C ATOM 121 C LYS A 8 0.485 8.093 -1.357 1.00 0.00 C ATOM 122 O LYS A 8 1.671 8.107 -1.687 1.00 0.00 O ATOM 123 CB LYS A 8 -0.218 6.872 0.740 1.00 0.00 C ATOM 124 CG LYS A 8 1.155 7.110 1.389 1.00 0.00 C ATOM 125 CD LYS A 8 1.092 7.133 2.923 1.00 0.00 C ATOM 126 CE LYS A 8 0.224 8.256 3.507 1.00 0.00 C ATOM 127 NZ LYS A 8 0.667 9.594 3.076 1.00 0.00 N ATOM 0 H LYS A 8 1.078 5.179 -0.460 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.173 6.772 -1.185 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -0.901 7.665 1.046 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -0.631 5.934 1.111 1.00 0.00 H new ATOM 0 HG2 LYS A 8 1.843 6.327 1.070 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.561 8.057 1.032 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.708 6.175 3.273 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.104 7.233 3.314 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -0.812 8.105 3.204 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.249 8.202 4.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.000 10.310 3.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.615 9.786 3.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.699 9.631 2.037 1.00 0.00 H new ATOM 141 N LYS A 9 -0.316 9.159 -1.472 1.00 0.00 N ATOM 142 CA LYS A 9 0.167 10.500 -1.762 1.00 0.00 C ATOM 143 C LYS A 9 0.349 11.230 -0.425 1.00 0.00 C ATOM 144 O LYS A 9 -0.214 10.812 0.589 1.00 0.00 O ATOM 145 CB LYS A 9 -0.816 11.210 -2.706 1.00 0.00 C ATOM 146 CG LYS A 9 -0.209 12.497 -3.279 1.00 0.00 C ATOM 147 CD LYS A 9 -1.101 13.129 -4.351 1.00 0.00 C ATOM 148 CE LYS A 9 -0.377 14.277 -5.067 1.00 0.00 C ATOM 149 NZ LYS A 9 0.063 15.337 -4.137 1.00 0.00 N ATOM 0 H LYS A 9 -1.329 9.106 -1.364 1.00 0.00 H new ATOM 0 HA LYS A 9 1.128 10.482 -2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.089 10.540 -3.521 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.734 11.447 -2.168 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.051 13.213 -2.472 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.769 12.277 -3.706 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.394 12.371 -5.077 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.017 13.502 -3.893 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.489 13.881 -5.597 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.040 14.709 -5.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.454 16.134 -4.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.749 15.665 -3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.794 14.959 -3.501 1.00 0.00 H new ATOM 163 N GLY A 10 1.156 12.296 -0.414 1.00 0.00 N ATOM 164 CA GLY A 10 1.470 13.066 0.780 1.00 0.00 C ATOM 165 C GLY A 10 2.970 13.313 0.828 1.00 0.00 C ATOM 166 O GLY A 10 3.412 14.461 0.814 1.00 0.00 O ATOM 0 H GLY A 10 1.615 12.649 -1.254 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.932 14.014 0.769 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.148 12.527 1.671 1.00 0.00 H new ATOM 170 N GLU A 11 3.749 12.225 0.849 1.00 0.00 N ATOM 171 CA GLU A 11 5.198 12.261 0.750 1.00 0.00 C ATOM 172 C GLU A 11 5.588 12.433 -0.718 1.00 0.00 C ATOM 173 O GLU A 11 6.213 11.560 -1.321 1.00 0.00 O ATOM 174 CB GLU A 11 5.827 11.002 1.368 1.00 0.00 C ATOM 175 CG GLU A 11 5.334 10.672 2.787 1.00 0.00 C ATOM 176 CD GLU A 11 3.932 10.059 2.840 1.00 0.00 C ATOM 177 OE1 GLU A 11 3.448 9.597 1.784 1.00 0.00 O ATOM 178 OE2 GLU A 11 3.338 10.079 3.940 1.00 0.00 O ATOM 0 H GLU A 11 3.374 11.280 0.937 1.00 0.00 H new ATOM 0 HA GLU A 11 5.584 13.108 1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 11 5.620 10.152 0.718 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.909 11.127 1.393 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.038 9.982 3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.342 11.585 3.383 1.00 0.00 H new ATOM 185 N ASP A 12 5.210 13.574 -1.300 1.00 0.00 N ATOM 186 CA ASP A 12 5.640 14.002 -2.620 1.00 0.00 C ATOM 187 C ASP A 12 7.005 14.685 -2.495 1.00 0.00 C ATOM 188 O ASP A 12 7.171 15.842 -2.878 1.00 0.00 O ATOM 189 CB ASP A 12 4.556 14.907 -3.219 1.00 0.00 C ATOM 190 CG ASP A 12 3.213 14.185 -3.302 1.00 0.00 C ATOM 191 OD1 ASP A 12 3.129 13.230 -4.101 1.00 0.00 O ATOM 192 OD2 ASP A 12 2.286 14.579 -2.558 1.00 0.00 O ATOM 0 H ASP A 12 4.580 14.238 -0.849 1.00 0.00 H new ATOM 0 HA ASP A 12 5.766 13.160 -3.301 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.451 15.805 -2.610 1.00 0.00 H new ATOM 0 HB3 ASP A 12 4.859 15.231 -4.215 1.00 0.00 H new ATOM 197 N ASP A 13 7.976 13.948 -1.939 1.00 0.00 N ATOM 198 CA ASP A 13 9.273 14.465 -1.530 1.00 0.00 C ATOM 199 C ASP A 13 10.224 14.457 -2.727 1.00 0.00 C ATOM 200 O ASP A 13 10.412 15.485 -3.372 1.00 0.00 O ATOM 201 CB ASP A 13 9.781 13.633 -0.339 1.00 0.00 C ATOM 202 CG ASP A 13 11.203 13.998 0.089 1.00 0.00 C ATOM 203 OD1 ASP A 13 11.540 15.201 0.041 1.00 0.00 O ATOM 204 OD2 ASP A 13 11.949 13.059 0.445 1.00 0.00 O ATOM 0 H ASP A 13 7.870 12.949 -1.760 1.00 0.00 H new ATOM 0 HA ASP A 13 9.203 15.500 -1.197 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.107 13.772 0.506 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.748 12.576 -0.602 1.00 0.00 H new ATOM 209 N LYS A 14 10.795 13.287 -3.029 1.00 0.00 N ATOM 210 CA LYS A 14 11.723 13.065 -4.129 1.00 0.00 C ATOM 211 C LYS A 14 11.923 11.558 -4.289 1.00 0.00 C ATOM 212 O LYS A 14 12.894 10.988 -3.794 1.00 0.00 O ATOM 213 CB LYS A 14 13.036 13.851 -3.931 1.00 0.00 C ATOM 214 CG LYS A 14 13.764 13.575 -2.606 1.00 0.00 C ATOM 215 CD LYS A 14 14.591 14.796 -2.185 1.00 0.00 C ATOM 216 CE LYS A 14 15.331 14.585 -0.858 1.00 0.00 C ATOM 217 NZ LYS A 14 14.417 14.487 0.296 1.00 0.00 N ATOM 0 H LYS A 14 10.613 12.440 -2.490 1.00 0.00 H new ATOM 0 HA LYS A 14 11.311 13.453 -5.061 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.710 13.616 -4.755 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.817 14.917 -3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.039 13.334 -1.829 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.415 12.707 -2.715 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.315 15.026 -2.967 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.934 15.661 -2.095 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.929 13.676 -0.921 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.024 15.411 -0.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.971 14.430 1.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.805 15.327 0.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.829 13.634 0.202 1.00 0.00 H new ATOM 231 N LEU A 15 10.971 10.907 -4.969 1.00 0.00 N ATOM 232 CA LEU A 15 10.982 9.467 -5.179 1.00 0.00 C ATOM 233 C LEU A 15 12.101 9.081 -6.147 1.00 0.00 C ATOM 234 O LEU A 15 12.661 9.925 -6.846 1.00 0.00 O ATOM 235 CB LEU A 15 9.623 8.979 -5.710 1.00 0.00 C ATOM 236 CG LEU A 15 8.514 8.939 -4.645 1.00 0.00 C ATOM 237 CD1 LEU A 15 8.021 10.340 -4.258 1.00 0.00 C ATOM 238 CD2 LEU A 15 7.345 8.102 -5.179 1.00 0.00 C ATOM 0 H LEU A 15 10.168 11.375 -5.389 1.00 0.00 H new ATOM 0 HA LEU A 15 11.165 8.984 -4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.307 9.631 -6.525 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.746 7.981 -6.130 1.00 0.00 H new ATOM 0 HG LEU A 15 8.929 8.489 -3.743 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.239 10.255 -3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 15 8.852 10.920 -3.856 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.622 10.842 -5.140 1.00 0.00 H new ATOM 0 HD21 LEU A 15 6.552 8.066 -4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.962 8.554 -6.094 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.689 7.090 -5.391 1.00 0.00 H new ATOM 250 N ILE A 16 12.412 7.783 -6.174 1.00 0.00 N ATOM 251 CA ILE A 16 13.564 7.212 -6.844 1.00 0.00 C ATOM 252 C ILE A 16 13.145 5.869 -7.446 1.00 0.00 C ATOM 253 O ILE A 16 12.578 5.023 -6.755 1.00 0.00 O ATOM 254 CB ILE A 16 14.745 7.119 -5.858 1.00 0.00 C ATOM 255 CG1 ILE A 16 15.943 6.423 -6.520 1.00 0.00 C ATOM 256 CG2 ILE A 16 14.374 6.432 -4.533 1.00 0.00 C ATOM 257 CD1 ILE A 16 17.253 6.721 -5.783 1.00 0.00 C ATOM 0 H ILE A 16 11.839 7.079 -5.708 1.00 0.00 H new ATOM 0 HA ILE A 16 13.913 7.841 -7.663 1.00 0.00 H new ATOM 0 HB ILE A 16 15.022 8.142 -5.603 1.00 0.00 H new ATOM 0 HG12 ILE A 16 15.773 5.346 -6.538 1.00 0.00 H new ATOM 0 HG13 ILE A 16 16.026 6.750 -7.556 1.00 0.00 H new ATOM 0 HG21 ILE A 16 15.249 6.398 -3.883 1.00 0.00 H new ATOM 0 HG22 ILE A 16 13.579 6.993 -4.042 1.00 0.00 H new ATOM 0 HG23 ILE A 16 14.031 5.417 -4.733 1.00 0.00 H new ATOM 0 HD11 ILE A 16 18.076 6.210 -6.283 1.00 0.00 H new ATOM 0 HD12 ILE A 16 17.437 7.795 -5.787 1.00 0.00 H new ATOM 0 HD13 ILE A 16 17.179 6.370 -4.754 1.00 0.00 H new ATOM 269 N LEU A 17 13.367 5.709 -8.756 1.00 0.00 N ATOM 270 CA LEU A 17 12.919 4.566 -9.534 1.00 0.00 C ATOM 271 C LEU A 17 14.111 3.649 -9.793 1.00 0.00 C ATOM 272 O LEU A 17 15.193 4.126 -10.130 1.00 0.00 O ATOM 273 CB LEU A 17 12.323 5.038 -10.869 1.00 0.00 C ATOM 274 CG LEU A 17 10.841 5.439 -10.787 1.00 0.00 C ATOM 275 CD1 LEU A 17 10.589 6.629 -9.852 1.00 0.00 C ATOM 276 CD2 LEU A 17 10.343 5.791 -12.195 1.00 0.00 C ATOM 0 H LEU A 17 13.878 6.394 -9.312 1.00 0.00 H new ATOM 0 HA LEU A 17 12.150 4.026 -8.982 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.899 5.889 -11.231 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.433 4.242 -11.606 1.00 0.00 H new ATOM 0 HG LEU A 17 10.298 4.589 -10.374 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.524 6.862 -9.838 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.918 6.376 -8.844 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.146 7.496 -10.208 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.292 6.077 -12.148 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.928 6.621 -12.591 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.455 4.925 -12.847 1.00 0.00 H new ATOM 288 N CYS A 18 13.910 2.332 -9.654 1.00 0.00 N ATOM 289 CA CYS A 18 14.895 1.356 -10.090 1.00 0.00 C ATOM 290 C CYS A 18 14.942 1.356 -11.616 1.00 0.00 C ATOM 291 O CYS A 18 13.934 1.069 -12.260 1.00 0.00 O ATOM 292 CB CYS A 18 14.547 -0.037 -9.568 1.00 0.00 C ATOM 293 SG CYS A 18 15.675 -1.327 -10.146 1.00 0.00 S ATOM 0 H CYS A 18 13.070 1.926 -9.241 1.00 0.00 H new ATOM 0 HA CYS A 18 15.873 1.625 -9.690 1.00 0.00 H new ATOM 0 HB2 CYS A 18 14.555 -0.020 -8.478 1.00 0.00 H new ATOM 0 HB3 CYS A 18 13.532 -0.288 -9.876 1.00 0.00 H new ATOM 298 N ASP A 19 16.113 1.669 -12.179 1.00 0.00 N ATOM 299 CA ASP A 19 16.327 1.722 -13.619 1.00 0.00 C ATOM 300 C ASP A 19 15.964 0.389 -14.277 1.00 0.00 C ATOM 301 O ASP A 19 15.229 0.358 -15.261 1.00 0.00 O ATOM 302 CB ASP A 19 17.785 2.104 -13.897 1.00 0.00 C ATOM 303 CG ASP A 19 18.062 2.181 -15.395 1.00 0.00 C ATOM 304 OD1 ASP A 19 17.680 3.212 -15.991 1.00 0.00 O ATOM 305 OD2 ASP A 19 18.640 1.203 -15.917 1.00 0.00 O ATOM 0 H ASP A 19 16.946 1.895 -11.636 1.00 0.00 H new ATOM 0 HA ASP A 19 15.674 2.479 -14.053 1.00 0.00 H new ATOM 0 HB2 ASP A 19 18.006 3.066 -13.434 1.00 0.00 H new ATOM 0 HB3 ASP A 19 18.449 1.370 -13.439 1.00 0.00 H new ATOM 310 N GLU A 20 16.468 -0.705 -13.697 1.00 0.00 N ATOM 311 CA GLU A 20 16.424 -2.041 -14.269 1.00 0.00 C ATOM 312 C GLU A 20 14.982 -2.510 -14.482 1.00 0.00 C ATOM 313 O GLU A 20 14.583 -2.772 -15.615 1.00 0.00 O ATOM 314 CB GLU A 20 17.197 -2.994 -13.344 1.00 0.00 C ATOM 315 CG GLU A 20 17.301 -4.419 -13.897 1.00 0.00 C ATOM 316 CD GLU A 20 17.956 -5.348 -12.878 1.00 0.00 C ATOM 317 OE1 GLU A 20 19.142 -5.108 -12.563 1.00 0.00 O ATOM 318 OE2 GLU A 20 17.251 -6.270 -12.414 1.00 0.00 O ATOM 0 H GLU A 20 16.931 -0.677 -12.788 1.00 0.00 H new ATOM 0 HA GLU A 20 16.893 -2.032 -15.253 1.00 0.00 H new ATOM 0 HB2 GLU A 20 18.200 -2.599 -13.183 1.00 0.00 H new ATOM 0 HB3 GLU A 20 16.706 -3.024 -12.371 1.00 0.00 H new ATOM 0 HG2 GLU A 20 16.307 -4.790 -14.148 1.00 0.00 H new ATOM 0 HG3 GLU A 20 17.882 -4.415 -14.819 1.00 0.00 H new ATOM 325 N CYS A 21 14.215 -2.623 -13.389 1.00 0.00 N ATOM 326 CA CYS A 21 12.906 -3.269 -13.374 1.00 0.00 C ATOM 327 C CYS A 21 11.767 -2.339 -12.934 1.00 0.00 C ATOM 328 O CYS A 21 10.703 -2.832 -12.562 1.00 0.00 O ATOM 329 CB CYS A 21 12.997 -4.532 -12.508 1.00 0.00 C ATOM 330 SG CYS A 21 13.417 -4.254 -10.767 1.00 0.00 S ATOM 0 H CYS A 21 14.496 -2.260 -12.478 1.00 0.00 H new ATOM 0 HA CYS A 21 12.646 -3.543 -14.396 1.00 0.00 H new ATOM 0 HB2 CYS A 21 12.041 -5.053 -12.554 1.00 0.00 H new ATOM 0 HB3 CYS A 21 13.744 -5.197 -12.942 1.00 0.00 H new ATOM 335 N ASN A 22 11.968 -1.012 -12.986 1.00 0.00 N ATOM 336 CA ASN A 22 10.922 -0.005 -12.813 1.00 0.00 C ATOM 337 C ASN A 22 10.159 -0.199 -11.500 1.00 0.00 C ATOM 338 O ASN A 22 8.993 -0.590 -11.499 1.00 0.00 O ATOM 339 CB ASN A 22 9.993 0.025 -14.035 1.00 0.00 C ATOM 340 CG ASN A 22 8.982 1.169 -13.944 1.00 0.00 C ATOM 341 OD1 ASN A 22 7.808 0.949 -13.654 1.00 0.00 O ATOM 342 ND2 ASN A 22 9.439 2.401 -14.180 1.00 0.00 N ATOM 0 H ASN A 22 12.888 -0.605 -13.154 1.00 0.00 H new ATOM 0 HA ASN A 22 11.399 0.973 -12.743 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.587 0.135 -14.942 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.463 -0.924 -14.114 1.00 0.00 H new ATOM 0 HD21 ASN A 22 8.807 3.199 -14.122 1.00 0.00 H new ATOM 0 HD22 ASN A 22 10.420 2.544 -14.418 1.00 0.00 H new ATOM 349 N LYS A 23 10.825 0.076 -10.376 1.00 0.00 N ATOM 350 CA LYS A 23 10.247 0.046 -9.053 1.00 0.00 C ATOM 351 C LYS A 23 10.379 1.441 -8.448 1.00 0.00 C ATOM 352 O LYS A 23 11.458 1.816 -7.994 1.00 0.00 O ATOM 353 CB LYS A 23 10.977 -1.010 -8.219 1.00 0.00 C ATOM 354 CG LYS A 23 10.868 -2.434 -8.785 1.00 0.00 C ATOM 355 CD LYS A 23 9.423 -2.947 -8.854 1.00 0.00 C ATOM 356 CE LYS A 23 9.360 -4.435 -9.217 1.00 0.00 C ATOM 357 NZ LYS A 23 9.981 -4.719 -10.524 1.00 0.00 N ATOM 0 H LYS A 23 11.812 0.333 -10.374 1.00 0.00 H new ATOM 0 HA LYS A 23 9.191 -0.222 -9.080 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.030 -0.738 -8.147 1.00 0.00 H new ATOM 0 HB3 LYS A 23 10.575 -1.000 -7.206 1.00 0.00 H new ATOM 0 HG2 LYS A 23 11.303 -2.455 -9.784 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.458 -3.110 -8.166 1.00 0.00 H new ATOM 0 HD2 LYS A 23 8.935 -2.787 -7.893 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.868 -2.369 -9.593 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.863 -5.017 -8.444 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.319 -4.759 -9.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.511 -5.537 -10.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.880 -3.890 -11.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.990 -4.930 -10.390 1.00 0.00 H new ATOM 371 N ALA A 24 9.275 2.199 -8.446 1.00 0.00 N ATOM 372 CA ALA A 24 9.182 3.481 -7.767 1.00 0.00 C ATOM 373 C ALA A 24 9.202 3.268 -6.254 1.00 0.00 C ATOM 374 O ALA A 24 8.443 2.459 -5.724 1.00 0.00 O ATOM 375 CB ALA A 24 7.912 4.219 -8.204 1.00 0.00 C ATOM 0 H ALA A 24 8.415 1.929 -8.924 1.00 0.00 H new ATOM 0 HA ALA A 24 10.040 4.097 -8.038 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.853 5.178 -7.689 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.941 4.387 -9.281 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.038 3.618 -7.954 1.00 0.00 H new ATOM 381 N PHE A 25 10.089 3.998 -5.576 1.00 0.00 N ATOM 382 CA PHE A 25 10.427 3.808 -4.177 1.00 0.00 C ATOM 383 C PHE A 25 10.684 5.173 -3.547 1.00 0.00 C ATOM 384 O PHE A 25 11.164 6.079 -4.224 1.00 0.00 O ATOM 385 CB PHE A 25 11.698 2.948 -4.080 1.00 0.00 C ATOM 386 CG PHE A 25 11.468 1.520 -3.624 1.00 0.00 C ATOM 387 CD1 PHE A 25 11.212 0.507 -4.566 1.00 0.00 C ATOM 388 CD2 PHE A 25 11.596 1.187 -2.262 1.00 0.00 C ATOM 389 CE1 PHE A 25 11.120 -0.834 -4.152 1.00 0.00 C ATOM 390 CE2 PHE A 25 11.544 -0.156 -1.854 1.00 0.00 C ATOM 391 CZ PHE A 25 11.302 -1.167 -2.799 1.00 0.00 C ATOM 0 H PHE A 25 10.607 4.764 -6.008 1.00 0.00 H new ATOM 0 HA PHE A 25 9.611 3.308 -3.655 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.182 2.929 -5.057 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.392 3.427 -3.390 1.00 0.00 H new ATOM 0 HD1 PHE A 25 11.086 0.759 -5.609 1.00 0.00 H new ATOM 0 HD2 PHE A 25 11.735 1.967 -1.528 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.909 -1.608 -4.875 1.00 0.00 H new ATOM 0 HE2 PHE A 25 11.690 -0.411 -0.815 1.00 0.00 H new ATOM 0 HZ PHE A 25 11.256 -2.200 -2.486 1.00 0.00 H new ATOM 401 N HIS A 26 10.340 5.332 -2.264 1.00 0.00 N ATOM 402 CA HIS A 26 10.772 6.490 -1.498 1.00 0.00 C ATOM 403 C HIS A 26 12.132 6.157 -0.894 1.00 0.00 C ATOM 404 O HIS A 26 12.479 4.991 -0.711 1.00 0.00 O ATOM 405 CB HIS A 26 9.803 6.837 -0.367 1.00 0.00 C ATOM 406 CG HIS A 26 8.479 7.384 -0.817 1.00 0.00 C ATOM 407 ND1 HIS A 26 7.299 6.650 -0.918 1.00 0.00 N ATOM 408 CD2 HIS A 26 8.225 8.699 -1.083 1.00 0.00 C ATOM 409 CE1 HIS A 26 6.354 7.545 -1.248 1.00 0.00 C ATOM 410 NE2 HIS A 26 6.882 8.777 -1.357 1.00 0.00 N ATOM 0 H HIS A 26 9.765 4.671 -1.742 1.00 0.00 H new ATOM 0 HA HIS A 26 10.815 7.352 -2.164 1.00 0.00 H new ATOM 0 HB2 HIS A 26 9.627 5.941 0.229 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.278 7.567 0.288 1.00 0.00 H new ATOM 0 HD2 HIS A 26 8.936 9.512 -1.079 1.00 0.00 H new ATOM 0 HE1 HIS A 26 5.312 7.308 -1.405 1.00 0.00 H new ATOM 0 HE2 HIS A 26 6.371 9.625 -1.602 1.00 0.00 H new ATOM 418 N LEU A 27 12.879 7.204 -0.549 1.00 0.00 N ATOM 419 CA LEU A 27 14.101 7.112 0.230 1.00 0.00 C ATOM 420 C LEU A 27 13.857 6.324 1.520 1.00 0.00 C ATOM 421 O LEU A 27 14.624 5.420 1.843 1.00 0.00 O ATOM 422 CB LEU A 27 14.619 8.527 0.500 1.00 0.00 C ATOM 423 CG LEU A 27 14.842 9.342 -0.787 1.00 0.00 C ATOM 424 CD1 LEU A 27 15.262 10.757 -0.394 1.00 0.00 C ATOM 425 CD2 LEU A 27 15.915 8.710 -1.679 1.00 0.00 C ATOM 0 H LEU A 27 12.641 8.160 -0.812 1.00 0.00 H new ATOM 0 HA LEU A 27 14.864 6.567 -0.326 1.00 0.00 H new ATOM 0 HB2 LEU A 27 13.908 9.053 1.138 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.557 8.465 1.052 1.00 0.00 H new ATOM 0 HG LEU A 27 13.914 9.359 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.425 11.351 -1.293 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.477 11.216 0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 27 16.184 10.715 0.185 1.00 0.00 H new ATOM 0 HD21 LEU A 27 16.044 9.314 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 27 16.859 8.663 -1.135 1.00 0.00 H new ATOM 0 HD23 LEU A 27 15.607 7.703 -1.960 1.00 0.00 H new ATOM 437 N PHE A 28 12.754 6.627 2.212 1.00 0.00 N ATOM 438 CA PHE A 28 12.368 5.979 3.461 1.00 0.00 C ATOM 439 C PHE A 28 12.076 4.493 3.225 1.00 0.00 C ATOM 440 O PHE A 28 12.576 3.642 3.958 1.00 0.00 O ATOM 441 CB PHE A 28 11.156 6.679 4.108 1.00 0.00 C ATOM 442 CG PHE A 28 10.862 8.089 3.625 1.00 0.00 C ATOM 443 CD1 PHE A 28 11.807 9.116 3.811 1.00 0.00 C ATOM 444 CD2 PHE A 28 9.710 8.334 2.854 1.00 0.00 C ATOM 445 CE1 PHE A 28 11.607 10.375 3.218 1.00 0.00 C ATOM 446 CE2 PHE A 28 9.512 9.591 2.259 1.00 0.00 C ATOM 447 CZ PHE A 28 10.458 10.613 2.443 1.00 0.00 C ATOM 0 H PHE A 28 12.094 7.344 1.910 1.00 0.00 H new ATOM 0 HA PHE A 28 13.205 6.063 4.155 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.272 6.065 3.934 1.00 0.00 H new ATOM 0 HB3 PHE A 28 11.314 6.712 5.186 1.00 0.00 H new ATOM 0 HD1 PHE A 28 12.687 8.936 4.410 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.976 7.553 2.720 1.00 0.00 H new ATOM 0 HE1 PHE A 28 12.336 11.160 3.358 1.00 0.00 H new ATOM 0 HE2 PHE A 28 8.632 9.772 1.660 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.303 11.581 1.990 1.00 0.00 H new ATOM 457 N CYS A 29 11.261 4.192 2.201 1.00 0.00 N ATOM 458 CA CYS A 29 10.832 2.837 1.867 1.00 0.00 C ATOM 459 C CYS A 29 12.028 1.940 1.536 1.00 0.00 C ATOM 460 O CYS A 29 11.992 0.750 1.843 1.00 0.00 O ATOM 461 CB CYS A 29 9.837 2.854 0.699 1.00 0.00 C ATOM 462 SG CYS A 29 8.278 3.727 0.999 1.00 0.00 S ATOM 0 H CYS A 29 10.879 4.901 1.575 1.00 0.00 H new ATOM 0 HA CYS A 29 10.333 2.423 2.743 1.00 0.00 H new ATOM 0 HB2 CYS A 29 10.326 3.309 -0.162 1.00 0.00 H new ATOM 0 HB3 CYS A 29 9.607 1.824 0.428 1.00 0.00 H new ATOM 467 N LEU A 30 13.079 2.498 0.917 1.00 0.00 N ATOM 468 CA LEU A 30 14.348 1.804 0.752 1.00 0.00 C ATOM 469 C LEU A 30 14.943 1.488 2.124 1.00 0.00 C ATOM 470 O LEU A 30 14.916 0.334 2.549 1.00 0.00 O ATOM 471 CB LEU A 30 15.315 2.617 -0.121 1.00 0.00 C ATOM 472 CG LEU A 30 14.850 2.767 -1.576 1.00 0.00 C ATOM 473 CD1 LEU A 30 15.615 3.913 -2.241 1.00 0.00 C ATOM 474 CD2 LEU A 30 15.050 1.481 -2.385 1.00 0.00 C ATOM 0 H LEU A 30 13.066 3.438 0.522 1.00 0.00 H new ATOM 0 HA LEU A 30 14.175 0.862 0.231 1.00 0.00 H new ATOM 0 HB2 LEU A 30 15.440 3.608 0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.294 2.137 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 30 13.782 2.982 -1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 30 15.285 4.020 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 30 15.423 4.840 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.683 3.697 -2.222 1.00 0.00 H new ATOM 0 HD21 LEU A 30 14.706 1.637 -3.407 1.00 0.00 H new ATOM 0 HD22 LEU A 30 16.108 1.218 -2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 30 14.479 0.672 -1.930 1.00 0.00 H new ATOM 486 N ARG A 31 15.478 2.506 2.805 1.00 0.00 N ATOM 487 CA ARG A 31 16.140 2.387 4.102 1.00 0.00 C ATOM 488 C ARG A 31 15.978 3.705 4.866 1.00 0.00 C ATOM 489 O ARG A 31 15.868 4.758 4.242 1.00 0.00 O ATOM 490 CB ARG A 31 17.643 2.106 3.912 1.00 0.00 C ATOM 491 CG ARG A 31 18.041 0.684 3.482 1.00 0.00 C ATOM 492 CD ARG A 31 18.043 -0.337 4.631 1.00 0.00 C ATOM 493 NE ARG A 31 16.693 -0.709 5.078 1.00 0.00 N ATOM 494 CZ ARG A 31 15.903 -1.638 4.513 1.00 0.00 C ATOM 495 NH1 ARG A 31 16.305 -2.321 3.432 1.00 0.00 N ATOM 496 NH2 ARG A 31 14.693 -1.879 5.035 1.00 0.00 N ATOM 0 H ARG A 31 15.460 3.464 2.456 1.00 0.00 H new ATOM 0 HA ARG A 31 15.689 1.564 4.657 1.00 0.00 H new ATOM 0 HB2 ARG A 31 18.026 2.804 3.168 1.00 0.00 H new ATOM 0 HB3 ARG A 31 18.150 2.330 4.850 1.00 0.00 H new ATOM 0 HG2 ARG A 31 17.354 0.343 2.708 1.00 0.00 H new ATOM 0 HG3 ARG A 31 19.035 0.715 3.035 1.00 0.00 H new ATOM 0 HD2 ARG A 31 18.572 -1.234 4.310 1.00 0.00 H new ATOM 0 HD3 ARG A 31 18.597 0.076 5.474 1.00 0.00 H new ATOM 0 HE ARG A 31 16.322 -0.217 5.891 1.00 0.00 H new ATOM 0 HH11 ARG A 31 17.223 -2.139 3.026 1.00 0.00 H new ATOM 0 HH12 ARG A 31 15.693 -3.023 3.015 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.378 -1.359 5.854 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.086 -2.582 4.613 1.00 0.00 H new ATOM 510 N PRO A 32 16.011 3.684 6.209 1.00 0.00 N ATOM 511 CA PRO A 32 16.086 4.895 7.012 1.00 0.00 C ATOM 512 C PRO A 32 17.405 5.634 6.759 1.00 0.00 C ATOM 513 O PRO A 32 17.409 6.859 6.682 1.00 0.00 O ATOM 514 CB PRO A 32 15.950 4.437 8.467 1.00 0.00 C ATOM 515 CG PRO A 32 16.472 3.002 8.442 1.00 0.00 C ATOM 516 CD PRO A 32 16.059 2.503 7.056 1.00 0.00 C ATOM 0 HA PRO A 32 15.299 5.605 6.757 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.534 5.064 9.141 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.915 4.481 8.806 1.00 0.00 H new ATOM 0 HG2 PRO A 32 17.553 2.964 8.578 1.00 0.00 H new ATOM 0 HG3 PRO A 32 16.030 2.399 9.235 1.00 0.00 H new ATOM 0 HD2 PRO A 32 16.775 1.776 6.673 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.089 2.007 7.092 1.00 0.00 H new ATOM 524 N ALA A 33 18.506 4.885 6.595 1.00 0.00 N ATOM 525 CA ALA A 33 19.818 5.397 6.215 1.00 0.00 C ATOM 526 C ALA A 33 19.749 6.358 5.027 1.00 0.00 C ATOM 527 O ALA A 33 20.431 7.382 5.019 1.00 0.00 O ATOM 528 CB ALA A 33 20.753 4.225 5.912 1.00 0.00 C ATOM 0 H ALA A 33 18.500 3.874 6.729 1.00 0.00 H new ATOM 0 HA ALA A 33 20.210 5.972 7.054 1.00 0.00 H new ATOM 0 HB1 ALA A 33 21.734 4.606 5.628 1.00 0.00 H new ATOM 0 HB2 ALA A 33 20.850 3.598 6.799 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.342 3.634 5.093 1.00 0.00 H new ATOM 534 N LEU A 34 18.933 6.021 4.023 1.00 0.00 N ATOM 535 CA LEU A 34 18.594 6.930 2.939 1.00 0.00 C ATOM 536 C LEU A 34 17.556 7.925 3.464 1.00 0.00 C ATOM 537 O LEU A 34 16.354 7.735 3.291 1.00 0.00 O ATOM 538 CB LEU A 34 18.097 6.150 1.710 1.00 0.00 C ATOM 539 CG LEU A 34 19.242 5.682 0.795 1.00 0.00 C ATOM 540 CD1 LEU A 34 20.218 4.723 1.489 1.00 0.00 C ATOM 541 CD2 LEU A 34 18.652 4.992 -0.438 1.00 0.00 C ATOM 0 H LEU A 34 18.491 5.105 3.945 1.00 0.00 H new ATOM 0 HA LEU A 34 19.474 7.482 2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.527 5.283 2.043 1.00 0.00 H new ATOM 0 HB3 LEU A 34 17.415 6.779 1.138 1.00 0.00 H new ATOM 0 HG LEU A 34 19.810 6.570 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 34 21.001 4.431 0.789 1.00 0.00 H new ATOM 0 HD12 LEU A 34 20.667 5.220 2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 34 19.681 3.835 1.823 1.00 0.00 H new ATOM 0 HD21 LEU A 34 19.460 4.659 -1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.060 4.132 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.016 5.693 -0.978 1.00 0.00 H new ATOM 553 N TYR A 35 18.043 8.984 4.120 1.00 0.00 N ATOM 554 CA TYR A 35 17.245 10.142 4.498 1.00 0.00 C ATOM 555 C TYR A 35 17.053 11.035 3.273 1.00 0.00 C ATOM 556 O TYR A 35 15.924 11.345 2.896 1.00 0.00 O ATOM 557 CB TYR A 35 17.934 10.906 5.637 1.00 0.00 C ATOM 558 CG TYR A 35 18.178 10.075 6.883 1.00 0.00 C ATOM 559 CD1 TYR A 35 17.123 9.822 7.780 1.00 0.00 C ATOM 560 CD2 TYR A 35 19.451 9.526 7.129 1.00 0.00 C ATOM 561 CE1 TYR A 35 17.337 9.014 8.910 1.00 0.00 C ATOM 562 CE2 TYR A 35 19.661 8.706 8.250 1.00 0.00 C ATOM 563 CZ TYR A 35 18.601 8.439 9.135 1.00 0.00 C ATOM 564 OH TYR A 35 18.800 7.615 10.203 1.00 0.00 O ATOM 0 H TYR A 35 19.020 9.056 4.405 1.00 0.00 H new ATOM 0 HA TYR A 35 16.267 9.820 4.856 1.00 0.00 H new ATOM 0 HB2 TYR A 35 18.888 11.290 5.277 1.00 0.00 H new ATOM 0 HB3 TYR A 35 17.323 11.769 5.903 1.00 0.00 H new ATOM 0 HD1 TYR A 35 16.148 10.249 7.600 1.00 0.00 H new ATOM 0 HD2 TYR A 35 20.268 9.736 6.454 1.00 0.00 H new ATOM 0 HE1 TYR A 35 16.531 8.835 9.606 1.00 0.00 H new ATOM 0 HE2 TYR A 35 20.637 8.280 8.432 1.00 0.00 H new ATOM 0 HH TYR A 35 19.730 7.305 10.208 1.00 0.00 H new ATOM 574 N GLU A 36 18.176 11.426 2.661 1.00 0.00 N ATOM 575 CA GLU A 36 18.253 12.211 1.437 1.00 0.00 C ATOM 576 C GLU A 36 18.698 11.330 0.266 1.00 0.00 C ATOM 577 O GLU A 36 19.079 10.174 0.449 1.00 0.00 O ATOM 578 CB GLU A 36 19.203 13.398 1.651 1.00 0.00 C ATOM 579 CG GLU A 36 18.626 14.417 2.644 1.00 0.00 C ATOM 580 CD GLU A 36 17.387 15.111 2.083 1.00 0.00 C ATOM 581 OE1 GLU A 36 17.579 16.051 1.282 1.00 0.00 O ATOM 582 OE2 GLU A 36 16.269 14.678 2.437 1.00 0.00 O ATOM 0 H GLU A 36 19.098 11.189 3.029 1.00 0.00 H new ATOM 0 HA GLU A 36 17.267 12.604 1.189 1.00 0.00 H new ATOM 0 HB2 GLU A 36 20.162 13.034 2.019 1.00 0.00 H new ATOM 0 HB3 GLU A 36 19.393 13.888 0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 36 18.370 13.913 3.576 1.00 0.00 H new ATOM 0 HG3 GLU A 36 19.384 15.163 2.883 1.00 0.00 H new ATOM 589 N VAL A 37 18.611 11.888 -0.948 1.00 0.00 N ATOM 590 CA VAL A 37 18.770 11.155 -2.195 1.00 0.00 C ATOM 591 C VAL A 37 20.211 10.659 -2.378 1.00 0.00 C ATOM 592 O VAL A 37 21.145 11.363 -1.994 1.00 0.00 O ATOM 593 CB VAL A 37 18.286 12.035 -3.366 1.00 0.00 C ATOM 594 CG1 VAL A 37 19.200 13.242 -3.618 1.00 0.00 C ATOM 595 CG2 VAL A 37 18.134 11.231 -4.661 1.00 0.00 C ATOM 0 H VAL A 37 18.424 12.881 -1.086 1.00 0.00 H new ATOM 0 HA VAL A 37 18.153 10.257 -2.169 1.00 0.00 H new ATOM 0 HB VAL A 37 17.308 12.408 -3.063 1.00 0.00 H new ATOM 0 HG11 VAL A 37 18.811 13.825 -4.453 1.00 0.00 H new ATOM 0 HG12 VAL A 37 19.234 13.865 -2.725 1.00 0.00 H new ATOM 0 HG13 VAL A 37 20.205 12.894 -3.856 1.00 0.00 H new ATOM 0 HG21 VAL A 37 17.791 11.889 -5.460 1.00 0.00 H new ATOM 0 HG22 VAL A 37 19.096 10.798 -4.935 1.00 0.00 H new ATOM 0 HG23 VAL A 37 17.406 10.433 -4.511 1.00 0.00 H new ATOM 605 N PRO A 38 20.415 9.453 -2.941 1.00 0.00 N ATOM 606 CA PRO A 38 21.732 9.007 -3.365 1.00 0.00 C ATOM 607 C PRO A 38 22.055 9.668 -4.703 1.00 0.00 C ATOM 608 O PRO A 38 21.441 9.340 -5.718 1.00 0.00 O ATOM 609 CB PRO A 38 21.652 7.481 -3.476 1.00 0.00 C ATOM 610 CG PRO A 38 20.168 7.213 -3.713 1.00 0.00 C ATOM 611 CD PRO A 38 19.483 8.334 -2.932 1.00 0.00 C ATOM 0 HA PRO A 38 22.524 9.279 -2.668 1.00 0.00 H new ATOM 0 HB2 PRO A 38 22.263 7.107 -4.298 1.00 0.00 H new ATOM 0 HB3 PRO A 38 22.007 6.994 -2.568 1.00 0.00 H new ATOM 0 HG2 PRO A 38 19.916 7.248 -4.773 1.00 0.00 H new ATOM 0 HG3 PRO A 38 19.873 6.229 -3.348 1.00 0.00 H new ATOM 0 HD2 PRO A 38 18.536 8.611 -3.395 1.00 0.00 H new ATOM 0 HD3 PRO A 38 19.259 8.020 -1.912 1.00 0.00 H new ATOM 619 N ASP A 39 23.014 10.601 -4.698 1.00 0.00 N ATOM 620 CA ASP A 39 23.497 11.271 -5.899 1.00 0.00 C ATOM 621 C ASP A 39 24.441 10.338 -6.667 1.00 0.00 C ATOM 622 O ASP A 39 25.642 10.582 -6.761 1.00 0.00 O ATOM 623 CB ASP A 39 24.157 12.600 -5.499 1.00 0.00 C ATOM 624 CG ASP A 39 24.605 13.420 -6.708 1.00 0.00 C ATOM 625 OD1 ASP A 39 23.801 13.523 -7.660 1.00 0.00 O ATOM 626 OD2 ASP A 39 25.739 13.942 -6.653 1.00 0.00 O ATOM 0 H ASP A 39 23.479 10.912 -3.845 1.00 0.00 H new ATOM 0 HA ASP A 39 22.673 11.506 -6.573 1.00 0.00 H new ATOM 0 HB2 ASP A 39 23.455 13.187 -4.907 1.00 0.00 H new ATOM 0 HB3 ASP A 39 25.018 12.397 -4.863 1.00 0.00 H new ATOM 631 N GLY A 40 23.881 9.253 -7.212 1.00 0.00 N ATOM 632 CA GLY A 40 24.589 8.300 -8.046 1.00 0.00 C ATOM 633 C GLY A 40 23.642 7.191 -8.499 1.00 0.00 C ATOM 634 O GLY A 40 22.447 7.226 -8.206 1.00 0.00 O ATOM 0 H GLY A 40 22.898 9.015 -7.077 1.00 0.00 H new ATOM 0 HA2 GLY A 40 25.009 8.807 -8.915 1.00 0.00 H new ATOM 0 HA3 GLY A 40 25.424 7.871 -7.492 1.00 0.00 H new ATOM 638 N GLU A 41 24.188 6.201 -9.216 1.00 0.00 N ATOM 639 CA GLU A 41 23.440 5.048 -9.697 1.00 0.00 C ATOM 640 C GLU A 41 22.924 4.219 -8.518 1.00 0.00 C ATOM 641 O GLU A 41 23.618 4.066 -7.513 1.00 0.00 O ATOM 642 CB GLU A 41 24.331 4.194 -10.606 1.00 0.00 C ATOM 643 CG GLU A 41 24.760 4.957 -11.865 1.00 0.00 C ATOM 644 CD GLU A 41 25.644 4.089 -12.754 1.00 0.00 C ATOM 645 OE1 GLU A 41 25.069 3.243 -13.473 1.00 0.00 O ATOM 646 OE2 GLU A 41 26.877 4.282 -12.693 1.00 0.00 O ATOM 0 H GLU A 41 25.174 6.184 -9.478 1.00 0.00 H new ATOM 0 HA GLU A 41 22.582 5.396 -10.272 1.00 0.00 H new ATOM 0 HB2 GLU A 41 25.216 3.878 -10.054 1.00 0.00 H new ATOM 0 HB3 GLU A 41 23.795 3.290 -10.894 1.00 0.00 H new ATOM 0 HG2 GLU A 41 23.878 5.274 -12.421 1.00 0.00 H new ATOM 0 HG3 GLU A 41 25.299 5.861 -11.581 1.00 0.00 H new ATOM 653 N TRP A 42 21.697 3.699 -8.642 1.00 0.00 N ATOM 654 CA TRP A 42 20.978 3.057 -7.553 1.00 0.00 C ATOM 655 C TRP A 42 19.874 2.162 -8.119 1.00 0.00 C ATOM 656 O TRP A 42 19.361 2.416 -9.209 1.00 0.00 O ATOM 657 CB TRP A 42 20.393 4.122 -6.617 1.00 0.00 C ATOM 658 CG TRP A 42 19.637 3.569 -5.449 1.00 0.00 C ATOM 659 CD1 TRP A 42 18.297 3.410 -5.389 1.00 0.00 C ATOM 660 CD2 TRP A 42 20.164 3.005 -4.210 1.00 0.00 C ATOM 661 NE1 TRP A 42 17.959 2.791 -4.207 1.00 0.00 N ATOM 662 CE2 TRP A 42 19.071 2.511 -3.440 1.00 0.00 C ATOM 663 CE3 TRP A 42 21.456 2.842 -3.667 1.00 0.00 C ATOM 664 CZ2 TRP A 42 19.249 1.888 -2.195 1.00 0.00 C ATOM 665 CZ3 TRP A 42 21.647 2.223 -2.418 1.00 0.00 C ATOM 666 CH2 TRP A 42 20.548 1.746 -1.682 1.00 0.00 C ATOM 0 H TRP A 42 21.174 3.716 -9.518 1.00 0.00 H new ATOM 0 HA TRP A 42 21.665 2.435 -6.979 1.00 0.00 H new ATOM 0 HB2 TRP A 42 21.205 4.748 -6.246 1.00 0.00 H new ATOM 0 HB3 TRP A 42 19.729 4.768 -7.191 1.00 0.00 H new ATOM 0 HD1 TRP A 42 17.598 3.721 -6.151 1.00 0.00 H new ATOM 0 HE1 TRP A 42 17.003 2.567 -3.932 1.00 0.00 H new ATOM 0 HE3 TRP A 42 22.313 3.198 -4.219 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 18.398 1.523 -1.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 22.646 2.113 -2.021 1.00 0.00 H new ATOM 0 HH2 TRP A 42 20.703 1.271 -0.724 1.00 0.00 H new ATOM 677 N GLN A 43 19.522 1.109 -7.370 1.00 0.00 N ATOM 678 CA GLN A 43 18.451 0.177 -7.694 1.00 0.00 C ATOM 679 C GLN A 43 17.687 -0.191 -6.418 1.00 0.00 C ATOM 680 O GLN A 43 18.159 0.047 -5.308 1.00 0.00 O ATOM 681 CB GLN A 43 19.040 -1.082 -8.342 1.00 0.00 C ATOM 682 CG GLN A 43 19.759 -0.786 -9.663 1.00 0.00 C ATOM 683 CD GLN A 43 20.232 -2.073 -10.330 1.00 0.00 C ATOM 684 OE1 GLN A 43 21.428 -2.345 -10.395 1.00 0.00 O ATOM 685 NE2 GLN A 43 19.286 -2.864 -10.835 1.00 0.00 N ATOM 0 H GLN A 43 19.994 0.881 -6.495 1.00 0.00 H new ATOM 0 HA GLN A 43 17.761 0.645 -8.397 1.00 0.00 H new ATOM 0 HB2 GLN A 43 19.740 -1.549 -7.649 1.00 0.00 H new ATOM 0 HB3 GLN A 43 18.241 -1.801 -8.521 1.00 0.00 H new ATOM 0 HG2 GLN A 43 19.088 -0.250 -10.334 1.00 0.00 H new ATOM 0 HG3 GLN A 43 20.612 -0.134 -9.478 1.00 0.00 H new ATOM 0 HE21 GLN A 43 18.304 -2.598 -10.758 1.00 0.00 H new ATOM 0 HE22 GLN A 43 19.544 -3.735 -11.298 1.00 0.00 H new ATOM 694 N CYS A 44 16.509 -0.801 -6.579 1.00 0.00 N ATOM 695 CA CYS A 44 15.720 -1.331 -5.475 1.00 0.00 C ATOM 696 C CYS A 44 16.420 -2.558 -4.872 1.00 0.00 C ATOM 697 O CYS A 44 17.170 -3.239 -5.573 1.00 0.00 O ATOM 698 CB CYS A 44 14.316 -1.684 -5.984 1.00 0.00 C ATOM 699 SG CYS A 44 14.248 -2.998 -7.229 1.00 0.00 S ATOM 0 H CYS A 44 16.076 -0.940 -7.492 1.00 0.00 H new ATOM 0 HA CYS A 44 15.627 -0.581 -4.689 1.00 0.00 H new ATOM 0 HB2 CYS A 44 13.704 -1.981 -5.133 1.00 0.00 H new ATOM 0 HB3 CYS A 44 13.864 -0.785 -6.404 1.00 0.00 H new ATOM 704 N PRO A 45 16.180 -2.869 -3.586 1.00 0.00 N ATOM 705 CA PRO A 45 16.909 -3.911 -2.875 1.00 0.00 C ATOM 706 C PRO A 45 16.559 -5.329 -3.342 1.00 0.00 C ATOM 707 O PRO A 45 17.185 -6.284 -2.886 1.00 0.00 O ATOM 708 CB PRO A 45 16.595 -3.701 -1.390 1.00 0.00 C ATOM 709 CG PRO A 45 15.237 -3.002 -1.416 1.00 0.00 C ATOM 710 CD PRO A 45 15.355 -2.118 -2.655 1.00 0.00 C ATOM 0 HA PRO A 45 17.977 -3.828 -3.077 1.00 0.00 H new ATOM 0 HB2 PRO A 45 16.551 -4.647 -0.850 1.00 0.00 H new ATOM 0 HB3 PRO A 45 17.353 -3.090 -0.901 1.00 0.00 H new ATOM 0 HG2 PRO A 45 14.415 -3.712 -1.499 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.063 -2.417 -0.513 1.00 0.00 H new ATOM 0 HD2 PRO A 45 14.375 -1.906 -3.081 1.00 0.00 H new ATOM 0 HD3 PRO A 45 15.811 -1.158 -2.411 1.00 0.00 H new ATOM 718 N ALA A 46 15.576 -5.481 -4.240 1.00 0.00 N ATOM 719 CA ALA A 46 15.304 -6.741 -4.913 1.00 0.00 C ATOM 720 C ALA A 46 16.449 -7.072 -5.868 1.00 0.00 C ATOM 721 O ALA A 46 16.861 -8.227 -5.955 1.00 0.00 O ATOM 722 CB ALA A 46 13.974 -6.647 -5.664 1.00 0.00 C ATOM 0 H ALA A 46 14.949 -4.725 -4.515 1.00 0.00 H new ATOM 0 HA ALA A 46 15.228 -7.542 -4.177 1.00 0.00 H new ATOM 0 HB1 ALA A 46 13.773 -7.593 -6.167 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.172 -6.434 -4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 46 14.029 -5.847 -6.403 1.00 0.00 H new ATOM 728 N CYS A 47 16.969 -6.058 -6.576 1.00 0.00 N ATOM 729 CA CYS A 47 18.145 -6.202 -7.410 1.00 0.00 C ATOM 730 C CYS A 47 19.397 -6.381 -6.550 1.00 0.00 C ATOM 731 O CYS A 47 20.174 -7.301 -6.794 1.00 0.00 O ATOM 732 CB CYS A 47 18.281 -5.006 -8.349 1.00 0.00 C ATOM 733 SG CYS A 47 16.870 -4.720 -9.443 1.00 0.00 S ATOM 0 H CYS A 47 16.576 -5.117 -6.578 1.00 0.00 H new ATOM 0 HA CYS A 47 18.033 -7.097 -8.021 1.00 0.00 H new ATOM 0 HB2 CYS A 47 18.442 -4.110 -7.749 1.00 0.00 H new ATOM 0 HB3 CYS A 47 19.172 -5.145 -8.961 1.00 0.00 H new ATOM 738 N GLN A 48 19.577 -5.514 -5.543 1.00 0.00 N ATOM 739 CA GLN A 48 20.754 -5.481 -4.693 1.00 0.00 C ATOM 740 C GLN A 48 20.388 -5.718 -3.220 1.00 0.00 C ATOM 741 O GLN A 48 20.140 -4.761 -2.489 1.00 0.00 O ATOM 742 CB GLN A 48 21.497 -4.153 -4.914 1.00 0.00 C ATOM 743 CG GLN A 48 20.630 -2.881 -4.920 1.00 0.00 C ATOM 744 CD GLN A 48 21.483 -1.613 -5.006 1.00 0.00 C ATOM 745 OE1 GLN A 48 22.676 -1.671 -5.296 1.00 0.00 O ATOM 746 NE2 GLN A 48 20.884 -0.454 -4.726 1.00 0.00 N ATOM 0 H GLN A 48 18.886 -4.804 -5.299 1.00 0.00 H new ATOM 0 HA GLN A 48 21.425 -6.296 -4.966 1.00 0.00 H new ATOM 0 HB2 GLN A 48 22.252 -4.049 -4.135 1.00 0.00 H new ATOM 0 HB3 GLN A 48 22.027 -4.211 -5.865 1.00 0.00 H new ATOM 0 HG2 GLN A 48 19.942 -2.914 -5.764 1.00 0.00 H new ATOM 0 HG3 GLN A 48 20.023 -2.850 -4.015 1.00 0.00 H new ATOM 0 HE21 GLN A 48 19.892 -0.437 -4.489 1.00 0.00 H new ATOM 0 HE22 GLN A 48 21.418 0.415 -4.749 1.00 0.00 H new ATOM 755 N PRO A 49 20.354 -6.984 -2.768 1.00 0.00 N ATOM 756 CA PRO A 49 20.249 -7.319 -1.353 1.00 0.00 C ATOM 757 C PRO A 49 21.466 -6.836 -0.555 1.00 0.00 C ATOM 758 O PRO A 49 22.392 -7.601 -0.288 1.00 0.00 O ATOM 759 CB PRO A 49 20.058 -8.837 -1.300 1.00 0.00 C ATOM 760 CG PRO A 49 19.268 -9.103 -2.577 1.00 0.00 C ATOM 761 CD PRO A 49 19.885 -8.112 -3.563 1.00 0.00 C ATOM 0 HA PRO A 49 19.408 -6.812 -0.881 1.00 0.00 H new ATOM 0 HB2 PRO A 49 21.010 -9.368 -1.291 1.00 0.00 H new ATOM 0 HB3 PRO A 49 19.511 -9.148 -0.410 1.00 0.00 H new ATOM 0 HG2 PRO A 49 19.379 -10.133 -2.915 1.00 0.00 H new ATOM 0 HG3 PRO A 49 18.201 -8.926 -2.438 1.00 0.00 H new ATOM 0 HD2 PRO A 49 20.708 -8.570 -4.111 1.00 0.00 H new ATOM 0 HD3 PRO A 49 19.151 -7.789 -4.301 1.00 0.00 H new ATOM 769 N ALA A 50 21.447 -5.559 -0.155 1.00 0.00 N ATOM 770 CA ALA A 50 22.420 -4.962 0.749 1.00 0.00 C ATOM 771 C ALA A 50 22.126 -5.394 2.189 1.00 0.00 C ATOM 772 O ALA A 50 21.729 -4.580 3.021 1.00 0.00 O ATOM 773 CB ALA A 50 22.387 -3.439 0.582 1.00 0.00 C ATOM 0 H ALA A 50 20.732 -4.900 -0.463 1.00 0.00 H new ATOM 0 HA ALA A 50 23.426 -5.306 0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 50 23.113 -2.983 1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 50 22.635 -3.180 -0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 50 21.390 -3.069 0.819 1.00 0.00 H new ATOM 779 N THR A 51 22.315 -6.689 2.462 1.00 0.00 N ATOM 780 CA THR A 51 21.905 -7.355 3.687 1.00 0.00 C ATOM 781 C THR A 51 22.951 -8.416 4.032 1.00 0.00 C ATOM 782 O THR A 51 23.566 -8.285 5.113 1.00 0.00 O ATOM 783 CB THR A 51 20.519 -7.997 3.500 1.00 0.00 C ATOM 784 OG1 THR A 51 20.513 -8.820 2.351 1.00 0.00 O ATOM 785 CG2 THR A 51 19.407 -6.951 3.370 1.00 0.00 C ATOM 786 OXT THR A 51 23.115 -9.341 3.206 1.00 0.00 O ATOM 0 H THR A 51 22.776 -7.320 1.806 1.00 0.00 H new ATOM 0 HA THR A 51 21.833 -6.635 4.502 1.00 0.00 H new ATOM 0 HB THR A 51 20.323 -8.592 4.392 1.00 0.00 H new ATOM 0 HG1 THR A 51 21.393 -9.237 2.243 1.00 0.00 H new ATOM 0 HG21 THR A 51 18.448 -7.453 3.240 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.376 -6.339 4.271 1.00 0.00 H new ATOM 0 HG23 THR A 51 19.604 -6.316 2.506 1.00 0.00 H new TER 794 THR A 51 HETATM 795 ZN ZN A 52 6.876 4.622 -0.596 1.00 0.00 ZN HETATM 796 ZN ZN A 53 15.010 -3.380 -9.360 1.00 0.00 ZN