USER MOD reduce.3.24.130724 H: found=0, std=0, add=457, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 457 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 CYS SG : rot 19:sc= -2.11! USER MOD Set 1.2: A 24 CYS SG : rot 180:sc= -0.196 USER MOD Single : A 1 MET CE :methyl -176:sc=-0.00469 (180deg=-0.0318) USER MOD Single : A 1 MET N :NH3+ 134:sc= 0.0738 (180deg=-0.152) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot -37:sc= -0.015 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -170:sc= 0.113 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.71! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 CYS SG : rot -24:sc= 0.0934 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 33 LYS NZ :NH3+ 152:sc= -0.258 (180deg=-1.19!) USER MOD Single : A 48 SER OG : rot 180:sc= 0.0275 USER MOD Single : A 53 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.427) USER MOD Single : A 55 GLN : amide:sc= -0.768 K(o=-0.77,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.795 -12.908 6.766 1.00 0.00 N ATOM 2 CA MET A 1 -7.781 -12.242 5.907 1.00 0.00 C ATOM 3 C MET A 1 -7.766 -10.735 6.140 1.00 0.00 C ATOM 4 O MET A 1 -8.603 -10.201 6.868 1.00 0.00 O ATOM 5 CB MET A 1 -8.106 -12.546 4.445 1.00 0.00 C ATOM 6 CG MET A 1 -9.503 -12.114 4.029 1.00 0.00 C ATOM 7 SD MET A 1 -9.532 -11.320 2.410 1.00 0.00 S ATOM 8 CE MET A 1 -10.547 -12.471 1.487 1.00 0.00 C ATOM 0 H1 MET A 1 -9.343 -13.584 6.196 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.317 -13.414 7.539 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.436 -12.193 7.165 1.00 0.00 H new ATOM 0 HA MET A 1 -6.792 -12.623 6.160 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.376 -12.047 3.808 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.000 -13.617 4.273 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.159 -12.985 4.014 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.903 -11.426 4.774 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.600 -12.155 0.445 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.109 -13.468 1.542 1.00 0.00 H new ATOM 0 HE3 MET A 1 -11.551 -12.492 1.911 1.00 0.00 H new ATOM 20 N TYR A 2 -6.805 -10.055 5.523 1.00 0.00 N ATOM 21 CA TYR A 2 -6.682 -8.609 5.665 1.00 0.00 C ATOM 22 C TYR A 2 -6.433 -7.940 4.316 1.00 0.00 C ATOM 23 O TYR A 2 -6.016 -8.585 3.353 1.00 0.00 O ATOM 24 CB TYR A 2 -5.546 -8.260 6.631 1.00 0.00 C ATOM 25 CG TYR A 2 -5.912 -8.413 8.091 1.00 0.00 C ATOM 26 CD1 TYR A 2 -7.054 -7.814 8.611 1.00 0.00 C ATOM 27 CD2 TYR A 2 -5.106 -9.146 8.952 1.00 0.00 C ATOM 28 CE1 TYR A 2 -7.386 -7.951 9.946 1.00 0.00 C ATOM 29 CE2 TYR A 2 -5.430 -9.287 10.287 1.00 0.00 C ATOM 30 CZ TYR A 2 -6.571 -8.687 10.779 1.00 0.00 C ATOM 31 OH TYR A 2 -6.897 -8.825 12.109 1.00 0.00 O ATOM 0 H TYR A 2 -6.101 -10.482 4.921 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.624 -8.236 6.067 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -4.689 -8.897 6.413 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -5.233 -7.232 6.451 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -7.692 -7.233 7.962 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -4.210 -9.614 8.571 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -8.279 -7.484 10.334 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -4.794 -9.864 10.942 1.00 0.00 H new ATOM 0 HH TYR A 2 -6.220 -9.374 12.556 1.00 0.00 H new ATOM 41 N ILE A 3 -6.683 -6.638 4.267 1.00 0.00 N ATOM 42 CA ILE A 3 -6.485 -5.852 3.057 1.00 0.00 C ATOM 43 C ILE A 3 -5.633 -4.623 3.356 1.00 0.00 C ATOM 44 O ILE A 3 -5.664 -4.097 4.467 1.00 0.00 O ATOM 45 CB ILE A 3 -7.829 -5.385 2.467 1.00 0.00 C ATOM 46 CG1 ILE A 3 -8.680 -4.717 3.548 1.00 0.00 C ATOM 47 CG2 ILE A 3 -8.582 -6.548 1.842 1.00 0.00 C ATOM 48 CD1 ILE A 3 -9.515 -3.568 3.033 1.00 0.00 C ATOM 0 H ILE A 3 -7.027 -6.099 5.062 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.980 -6.492 2.334 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.622 -4.656 1.684 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -9.338 -5.463 3.994 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -8.026 -4.354 4.341 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.527 -6.192 1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.982 -6.983 1.043 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.778 -7.305 2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -10.093 -3.142 3.853 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.862 -2.803 2.613 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.194 -3.929 2.260 1.00 0.00 H new ATOM 60 N ILE A 4 -4.885 -4.159 2.362 1.00 0.00 N ATOM 61 CA ILE A 4 -4.044 -2.981 2.537 1.00 0.00 C ATOM 62 C ILE A 4 -4.515 -1.846 1.624 1.00 0.00 C ATOM 63 O ILE A 4 -5.083 -2.086 0.560 1.00 0.00 O ATOM 64 CB ILE A 4 -2.554 -3.320 2.280 1.00 0.00 C ATOM 65 CG1 ILE A 4 -1.935 -3.930 3.542 1.00 0.00 C ATOM 66 CG2 ILE A 4 -1.760 -2.093 1.853 1.00 0.00 C ATOM 67 CD1 ILE A 4 -1.950 -5.442 3.561 1.00 0.00 C ATOM 0 H ILE A 4 -4.843 -4.577 1.433 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.134 -2.647 3.571 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.512 -4.041 1.464 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -0.905 -3.585 3.633 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.473 -3.560 4.415 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.721 -2.373 1.683 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -2.182 -1.689 0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.808 -1.337 2.637 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.495 -5.799 4.485 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -2.979 -5.796 3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.386 -5.822 2.709 1.00 0.00 H new ATOM 79 N PHE A 5 -4.313 -0.611 2.067 1.00 0.00 N ATOM 80 CA PHE A 5 -4.741 0.556 1.303 1.00 0.00 C ATOM 81 C PHE A 5 -3.730 1.689 1.441 1.00 0.00 C ATOM 82 O PHE A 5 -2.628 1.479 1.945 1.00 0.00 O ATOM 83 CB PHE A 5 -6.121 1.032 1.767 1.00 0.00 C ATOM 84 CG PHE A 5 -6.528 0.533 3.125 1.00 0.00 C ATOM 85 CD1 PHE A 5 -7.079 -0.729 3.284 1.00 0.00 C ATOM 86 CD2 PHE A 5 -6.396 1.344 4.238 1.00 0.00 C ATOM 87 CE1 PHE A 5 -7.461 -1.180 4.531 1.00 0.00 C ATOM 88 CE2 PHE A 5 -6.788 0.903 5.485 1.00 0.00 C ATOM 89 CZ PHE A 5 -7.315 -0.362 5.633 1.00 0.00 C ATOM 0 H PHE A 5 -3.855 -0.391 2.952 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.804 0.266 0.254 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.131 2.122 1.776 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -6.866 0.712 1.038 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.211 -1.366 2.422 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.981 2.335 4.129 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -7.874 -2.172 4.644 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -6.682 1.548 6.344 1.00 0.00 H new ATOM 0 HZ PHE A 5 -7.613 -0.713 6.610 1.00 0.00 H new ATOM 99 N ARG A 6 -4.099 2.887 0.987 1.00 0.00 N ATOM 100 CA ARG A 6 -3.193 4.030 1.055 1.00 0.00 C ATOM 101 C ARG A 6 -3.931 5.323 1.392 1.00 0.00 C ATOM 102 O ARG A 6 -4.813 5.759 0.653 1.00 0.00 O ATOM 103 CB ARG A 6 -2.453 4.195 -0.275 1.00 0.00 C ATOM 104 CG ARG A 6 -1.546 3.026 -0.621 1.00 0.00 C ATOM 105 CD ARG A 6 -2.140 2.168 -1.726 1.00 0.00 C ATOM 106 NE ARG A 6 -1.219 2.003 -2.848 1.00 0.00 N ATOM 107 CZ ARG A 6 -1.451 2.474 -4.069 1.00 0.00 C ATOM 108 NH1 ARG A 6 -2.569 3.140 -4.326 1.00 0.00 N ATOM 109 NH2 ARG A 6 -0.564 2.281 -5.036 1.00 0.00 N ATOM 0 H ARG A 6 -5.009 3.089 0.573 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.479 3.832 1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -3.184 4.324 -1.073 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -1.857 5.107 -0.238 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.571 3.401 -0.934 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.383 2.416 0.267 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -2.400 1.189 -1.324 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -3.065 2.623 -2.080 1.00 0.00 H new ATOM 0 HE ARG A 6 -0.348 1.497 -2.685 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -3.254 3.292 -3.585 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.744 3.500 -5.264 1.00 0.00 H new ATOM 0 HH21 ARG A 6 0.298 1.770 -4.843 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -0.744 2.643 -5.972 1.00 0.00 H new ATOM 123 N CYS A 7 -3.544 5.947 2.501 1.00 0.00 N ATOM 124 CA CYS A 7 -4.137 7.212 2.909 1.00 0.00 C ATOM 125 C CYS A 7 -3.543 8.359 2.100 1.00 0.00 C ATOM 126 O CYS A 7 -2.424 8.249 1.592 1.00 0.00 O ATOM 127 CB CYS A 7 -3.922 7.452 4.403 1.00 0.00 C ATOM 128 SG CYS A 7 -4.842 8.860 5.065 1.00 0.00 S ATOM 0 H CYS A 7 -2.823 5.596 3.131 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.209 7.166 2.719 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.211 6.554 4.949 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -2.859 7.608 4.586 1.00 0.00 H new ATOM 0 HG CYS A 7 -5.817 9.159 4.259 1.00 0.00 H new ATOM 134 N ASP A 8 -4.262 9.481 2.052 1.00 0.00 N ATOM 135 CA ASP A 8 -3.835 10.636 1.267 1.00 0.00 C ATOM 136 C ASP A 8 -2.490 11.166 1.746 1.00 0.00 C ATOM 137 O ASP A 8 -1.786 11.852 1.005 1.00 0.00 O ATOM 138 CB ASP A 8 -4.885 11.746 1.347 1.00 0.00 C ATOM 139 CG ASP A 8 -5.477 12.081 -0.009 1.00 0.00 C ATOM 140 OD1 ASP A 8 -5.986 11.158 -0.679 1.00 0.00 O ATOM 141 OD2 ASP A 8 -5.432 13.265 -0.400 1.00 0.00 O ATOM 0 H ASP A 8 -5.143 9.613 2.548 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.726 10.313 0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.683 11.439 2.023 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.432 12.641 1.774 1.00 0.00 H new ATOM 146 N CYS A 9 -2.120 10.817 2.971 1.00 0.00 N ATOM 147 CA CYS A 9 -0.827 11.209 3.513 1.00 0.00 C ATOM 148 C CYS A 9 0.283 10.399 2.846 1.00 0.00 C ATOM 149 O CYS A 9 1.453 10.497 3.218 1.00 0.00 O ATOM 150 CB CYS A 9 -0.797 10.992 5.025 1.00 0.00 C ATOM 151 SG CYS A 9 0.639 11.714 5.852 1.00 0.00 S ATOM 0 H CYS A 9 -2.696 10.265 3.606 1.00 0.00 H new ATOM 0 HA CYS A 9 -0.667 12.268 3.310 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.703 11.416 5.459 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.818 9.921 5.227 1.00 0.00 H new ATOM 0 HG CYS A 9 1.689 11.576 5.098 1.00 0.00 H new ATOM 157 N GLY A 10 -0.107 9.591 1.863 1.00 0.00 N ATOM 158 CA GLY A 10 0.839 8.740 1.171 1.00 0.00 C ATOM 159 C GLY A 10 1.182 7.510 1.982 1.00 0.00 C ATOM 160 O GLY A 10 2.106 6.769 1.645 1.00 0.00 O ATOM 0 H GLY A 10 -1.069 9.512 1.534 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.422 8.438 0.210 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.749 9.303 0.961 1.00 0.00 H new ATOM 164 N ARG A 11 0.491 7.347 3.106 1.00 0.00 N ATOM 165 CA ARG A 11 0.725 6.207 3.989 1.00 0.00 C ATOM 166 C ARG A 11 -0.083 4.987 3.554 1.00 0.00 C ATOM 167 O ARG A 11 -0.581 4.926 2.429 1.00 0.00 O ATOM 168 CB ARG A 11 0.405 6.578 5.443 1.00 0.00 C ATOM 169 CG ARG A 11 -1.076 6.575 5.775 1.00 0.00 C ATOM 170 CD ARG A 11 -1.349 5.884 7.100 1.00 0.00 C ATOM 171 NE ARG A 11 -0.861 6.665 8.235 1.00 0.00 N ATOM 172 CZ ARG A 11 -1.651 7.169 9.177 1.00 0.00 C ATOM 173 NH1 ARG A 11 -2.962 6.976 9.124 1.00 0.00 N ATOM 174 NH2 ARG A 11 -1.128 7.869 10.176 1.00 0.00 N ATOM 0 H ARG A 11 -0.234 7.988 3.427 1.00 0.00 H new ATOM 0 HA ARG A 11 1.781 5.945 3.921 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.916 5.879 6.105 1.00 0.00 H new ATOM 0 HB3 ARG A 11 0.810 7.568 5.651 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.443 7.601 5.816 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.627 6.071 4.981 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.421 5.718 7.208 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -0.873 4.904 7.103 1.00 0.00 H new ATOM 0 HE ARG A 11 0.142 6.833 8.308 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.368 6.439 8.358 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.564 7.365 9.849 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -0.120 8.020 10.220 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -1.734 8.256 10.899 1.00 0.00 H new ATOM 188 N ALA A 12 -0.208 4.016 4.457 1.00 0.00 N ATOM 189 CA ALA A 12 -0.958 2.797 4.183 1.00 0.00 C ATOM 190 C ALA A 12 -1.443 2.158 5.481 1.00 0.00 C ATOM 191 O ALA A 12 -0.867 2.388 6.544 1.00 0.00 O ATOM 192 CB ALA A 12 -0.097 1.817 3.401 1.00 0.00 C ATOM 0 H ALA A 12 0.204 4.053 5.389 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.830 3.056 3.583 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -0.668 0.910 3.202 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.204 2.271 2.457 1.00 0.00 H new ATOM 0 HB3 ALA A 12 0.790 1.567 3.983 1.00 0.00 H new ATOM 198 N LEU A 13 -2.507 1.360 5.395 1.00 0.00 N ATOM 199 CA LEU A 13 -3.042 0.687 6.577 1.00 0.00 C ATOM 200 C LEU A 13 -3.578 -0.703 6.232 1.00 0.00 C ATOM 201 O LEU A 13 -3.500 -1.142 5.085 1.00 0.00 O ATOM 202 CB LEU A 13 -4.144 1.530 7.219 1.00 0.00 C ATOM 203 CG LEU A 13 -3.657 2.575 8.224 1.00 0.00 C ATOM 204 CD1 LEU A 13 -4.282 3.930 7.930 1.00 0.00 C ATOM 205 CD2 LEU A 13 -3.974 2.134 9.644 1.00 0.00 C ATOM 0 H LEU A 13 -3.010 1.165 4.529 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.225 0.568 7.289 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.698 2.038 6.430 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.844 0.863 7.722 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.575 2.670 8.128 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.924 4.661 8.655 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.004 4.249 6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.367 3.853 7.998 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.621 2.889 10.347 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.051 2.011 9.755 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.477 1.186 9.850 1.00 0.00 H new ATOM 217 N TYR A 14 -4.121 -1.387 7.237 1.00 0.00 N ATOM 218 CA TYR A 14 -4.662 -2.732 7.053 1.00 0.00 C ATOM 219 C TYR A 14 -6.005 -2.887 7.769 1.00 0.00 C ATOM 220 O TYR A 14 -6.194 -2.375 8.872 1.00 0.00 O ATOM 221 CB TYR A 14 -3.670 -3.777 7.573 1.00 0.00 C ATOM 222 CG TYR A 14 -3.534 -3.798 9.080 1.00 0.00 C ATOM 223 CD1 TYR A 14 -2.906 -2.759 9.756 1.00 0.00 C ATOM 224 CD2 TYR A 14 -4.034 -4.858 9.825 1.00 0.00 C ATOM 225 CE1 TYR A 14 -2.783 -2.775 11.132 1.00 0.00 C ATOM 226 CE2 TYR A 14 -3.914 -4.881 11.202 1.00 0.00 C ATOM 227 CZ TYR A 14 -3.287 -3.838 11.850 1.00 0.00 C ATOM 228 OH TYR A 14 -3.166 -3.859 13.220 1.00 0.00 O ATOM 0 H TYR A 14 -4.198 -1.031 8.190 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.822 -2.888 5.986 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -3.985 -4.763 7.233 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.692 -3.585 7.132 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.508 -1.925 9.197 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.524 -5.677 9.321 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -2.294 -1.958 11.643 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -4.309 -5.712 11.767 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.575 -4.677 13.572 1.00 0.00 H new ATOM 238 N SER A 15 -6.934 -3.592 7.129 1.00 0.00 N ATOM 239 CA SER A 15 -8.257 -3.830 7.703 1.00 0.00 C ATOM 240 C SER A 15 -8.873 -5.098 7.120 1.00 0.00 C ATOM 241 O SER A 15 -8.225 -5.816 6.364 1.00 0.00 O ATOM 242 CB SER A 15 -9.179 -2.639 7.439 1.00 0.00 C ATOM 243 OG SER A 15 -10.311 -2.668 8.290 1.00 0.00 O ATOM 0 H SER A 15 -6.795 -4.010 6.209 1.00 0.00 H new ATOM 0 HA SER A 15 -8.142 -3.956 8.780 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.630 -1.710 7.592 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.503 -2.650 6.398 1.00 0.00 H new ATOM 0 HG SER A 15 -10.958 -1.992 7.997 1.00 0.00 H new ATOM 249 N ARG A 16 -10.119 -5.377 7.483 1.00 0.00 N ATOM 250 CA ARG A 16 -10.809 -6.554 6.968 1.00 0.00 C ATOM 251 C ARG A 16 -11.266 -6.327 5.530 1.00 0.00 C ATOM 252 O ARG A 16 -11.474 -5.190 5.105 1.00 0.00 O ATOM 253 CB ARG A 16 -12.006 -6.910 7.845 1.00 0.00 C ATOM 254 CG ARG A 16 -13.074 -5.833 7.882 1.00 0.00 C ATOM 255 CD ARG A 16 -13.508 -5.541 9.307 1.00 0.00 C ATOM 256 NE ARG A 16 -14.117 -4.219 9.435 1.00 0.00 N ATOM 257 CZ ARG A 16 -14.221 -3.564 10.587 1.00 0.00 C ATOM 258 NH1 ARG A 16 -13.757 -4.103 11.707 1.00 0.00 N ATOM 259 NH2 ARG A 16 -14.789 -2.365 10.621 1.00 0.00 N ATOM 0 H ARG A 16 -10.669 -4.809 8.127 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.105 -7.386 6.985 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -12.449 -7.837 7.481 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.658 -7.100 8.860 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.692 -4.922 7.421 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -13.935 -6.151 7.294 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -14.219 -6.300 9.632 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.645 -5.608 9.970 1.00 0.00 H new ATOM 0 HE ARG A 16 -14.483 -3.774 8.593 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -13.318 -5.024 11.686 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -13.839 -3.597 12.589 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -15.146 -1.945 9.763 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -14.868 -1.863 11.505 1.00 0.00 H new ATOM 273 N GLU A 17 -11.401 -7.417 4.781 1.00 0.00 N ATOM 274 CA GLU A 17 -11.837 -7.348 3.391 1.00 0.00 C ATOM 275 C GLU A 17 -13.199 -6.668 3.272 1.00 0.00 C ATOM 276 O GLU A 17 -14.215 -7.221 3.689 1.00 0.00 O ATOM 277 CB GLU A 17 -11.905 -8.753 2.788 1.00 0.00 C ATOM 278 CG GLU A 17 -11.683 -8.783 1.285 1.00 0.00 C ATOM 279 CD GLU A 17 -12.933 -8.430 0.501 1.00 0.00 C ATOM 280 OE1 GLU A 17 -14.024 -8.911 0.877 1.00 0.00 O ATOM 281 OE2 GLU A 17 -12.822 -7.675 -0.486 1.00 0.00 O ATOM 0 H GLU A 17 -11.214 -8.362 5.115 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.108 -6.753 2.841 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.157 -9.382 3.270 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.879 -9.188 3.011 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -10.887 -8.085 1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.344 -9.776 0.992 1.00 0.00 H new ATOM 288 N GLY A 18 -13.214 -5.474 2.685 1.00 0.00 N ATOM 289 CA GLY A 18 -14.463 -4.755 2.508 1.00 0.00 C ATOM 290 C GLY A 18 -14.313 -3.258 2.684 1.00 0.00 C ATOM 291 O GLY A 18 -15.242 -2.499 2.405 1.00 0.00 O ATOM 0 H GLY A 18 -12.387 -4.994 2.330 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -14.857 -4.961 1.513 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -15.195 -5.128 3.224 1.00 0.00 H new ATOM 295 N ALA A 19 -13.148 -2.829 3.159 1.00 0.00 N ATOM 296 CA ALA A 19 -12.889 -1.411 3.372 1.00 0.00 C ATOM 297 C ALA A 19 -12.661 -0.689 2.050 1.00 0.00 C ATOM 298 O ALA A 19 -11.628 -0.863 1.407 1.00 0.00 O ATOM 299 CB ALA A 19 -11.696 -1.221 4.293 1.00 0.00 C ATOM 0 H ALA A 19 -12.370 -3.442 3.403 1.00 0.00 H new ATOM 0 HA ALA A 19 -13.769 -0.976 3.846 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -11.517 -0.156 4.441 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.900 -1.692 5.255 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -10.814 -1.678 3.845 1.00 0.00 H new ATOM 305 N LYS A 20 -13.640 0.114 1.648 1.00 0.00 N ATOM 306 CA LYS A 20 -13.542 0.880 0.412 1.00 0.00 C ATOM 307 C LYS A 20 -12.894 2.236 0.681 1.00 0.00 C ATOM 308 O LYS A 20 -12.018 2.681 -0.064 1.00 0.00 O ATOM 309 CB LYS A 20 -14.930 1.032 -0.220 1.00 0.00 C ATOM 310 CG LYS A 20 -15.543 2.409 -0.073 1.00 0.00 C ATOM 311 CD LYS A 20 -16.363 2.507 1.200 1.00 0.00 C ATOM 312 CE LYS A 20 -17.727 1.856 1.038 1.00 0.00 C ATOM 313 NZ LYS A 20 -18.776 2.556 1.830 1.00 0.00 N ATOM 0 H LYS A 20 -14.511 0.251 2.161 1.00 0.00 H new ATOM 0 HA LYS A 20 -12.908 0.346 -0.296 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -14.860 0.791 -1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -15.601 0.300 0.229 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.755 3.162 -0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -16.176 2.623 -0.934 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -15.825 2.028 2.018 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -16.489 3.555 1.473 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -18.007 1.857 -0.016 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -17.671 0.814 1.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -19.691 2.081 1.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -18.523 2.533 2.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -18.848 3.544 1.514 1.00 0.00 H new ATOM 327 N THR A 21 -13.304 2.870 1.774 1.00 0.00 N ATOM 328 CA THR A 21 -12.743 4.156 2.170 1.00 0.00 C ATOM 329 C THR A 21 -12.692 4.285 3.687 1.00 0.00 C ATOM 330 O THR A 21 -13.726 4.354 4.351 1.00 0.00 O ATOM 331 CB THR A 21 -13.554 5.309 1.576 1.00 0.00 C ATOM 332 OG1 THR A 21 -14.940 5.021 1.606 1.00 0.00 O ATOM 333 CG2 THR A 21 -13.179 5.628 0.147 1.00 0.00 C ATOM 0 H THR A 21 -14.024 2.513 2.402 1.00 0.00 H new ATOM 0 HA THR A 21 -11.726 4.206 1.782 1.00 0.00 H new ATOM 0 HB THR A 21 -13.321 6.174 2.197 1.00 0.00 H new ATOM 0 HG1 THR A 21 -15.439 5.773 1.223 1.00 0.00 H new ATOM 0 HG21 THR A 21 -13.791 6.455 -0.214 1.00 0.00 H new ATOM 0 HG22 THR A 21 -12.127 5.909 0.101 1.00 0.00 H new ATOM 0 HG23 THR A 21 -13.348 4.751 -0.478 1.00 0.00 H new ATOM 341 N ARG A 22 -11.479 4.327 4.226 1.00 0.00 N ATOM 342 CA ARG A 22 -11.284 4.460 5.665 1.00 0.00 C ATOM 343 C ARG A 22 -11.239 5.932 6.062 1.00 0.00 C ATOM 344 O ARG A 22 -11.649 6.800 5.293 1.00 0.00 O ATOM 345 CB ARG A 22 -9.990 3.761 6.092 1.00 0.00 C ATOM 346 CG ARG A 22 -10.093 3.054 7.434 1.00 0.00 C ATOM 347 CD ARG A 22 -10.833 1.733 7.314 1.00 0.00 C ATOM 348 NE ARG A 22 -12.057 1.716 8.111 1.00 0.00 N ATOM 349 CZ ARG A 22 -12.240 0.933 9.171 1.00 0.00 C ATOM 350 NH1 ARG A 22 -11.281 0.102 9.560 1.00 0.00 N ATOM 351 NH2 ARG A 22 -13.382 0.979 9.841 1.00 0.00 N ATOM 0 H ARG A 22 -10.615 4.271 3.687 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.124 3.986 6.173 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.711 3.035 5.329 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -9.188 4.498 6.140 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.093 2.877 7.830 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -10.609 3.698 8.146 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -11.079 1.549 6.268 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -10.180 0.921 7.635 1.00 0.00 H new ATOM 0 HE ARG A 22 -12.816 2.341 7.839 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.401 0.062 9.046 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.424 -0.497 10.373 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.122 1.615 9.544 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.521 0.378 10.653 1.00 0.00 H new ATOM 365 N LYS A 23 -10.743 6.211 7.264 1.00 0.00 N ATOM 366 CA LYS A 23 -10.659 7.581 7.747 1.00 0.00 C ATOM 367 C LYS A 23 -9.490 7.751 8.707 1.00 0.00 C ATOM 368 O LYS A 23 -9.165 6.848 9.478 1.00 0.00 O ATOM 369 CB LYS A 23 -11.966 7.978 8.438 1.00 0.00 C ATOM 370 CG LYS A 23 -11.949 9.381 9.024 1.00 0.00 C ATOM 371 CD LYS A 23 -13.005 9.547 10.104 1.00 0.00 C ATOM 372 CE LYS A 23 -14.249 10.235 9.568 1.00 0.00 C ATOM 373 NZ LYS A 23 -15.481 9.781 10.270 1.00 0.00 N ATOM 0 H LYS A 23 -10.395 5.509 7.917 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.495 8.233 6.889 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.783 7.904 7.720 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.176 7.264 9.234 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -10.964 9.590 9.442 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -12.120 10.109 8.231 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.273 8.570 10.505 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.594 10.128 10.929 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.144 11.314 9.680 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.344 10.033 8.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -16.307 10.274 9.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.596 8.755 10.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.402 9.996 11.284 1.00 0.00 H new ATOM 387 N CYS A 24 -8.861 8.917 8.648 1.00 0.00 N ATOM 388 CA CYS A 24 -7.740 9.228 9.518 1.00 0.00 C ATOM 389 C CYS A 24 -8.209 10.061 10.700 1.00 0.00 C ATOM 390 O CYS A 24 -8.671 11.190 10.536 1.00 0.00 O ATOM 391 CB CYS A 24 -6.653 9.977 8.746 1.00 0.00 C ATOM 392 SG CYS A 24 -4.969 9.457 9.148 1.00 0.00 S ATOM 0 H CYS A 24 -9.112 9.666 8.002 1.00 0.00 H new ATOM 0 HA CYS A 24 -7.321 8.293 9.888 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -6.819 9.837 7.678 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.750 11.044 8.947 1.00 0.00 H new ATOM 0 HG CYS A 24 -4.122 10.146 8.443 1.00 0.00 H new ATOM 398 N VAL A 25 -8.104 9.486 11.888 1.00 0.00 N ATOM 399 CA VAL A 25 -8.522 10.168 13.107 1.00 0.00 C ATOM 400 C VAL A 25 -7.613 11.366 13.379 1.00 0.00 C ATOM 401 O VAL A 25 -8.009 12.321 14.047 1.00 0.00 O ATOM 402 CB VAL A 25 -8.546 9.203 14.321 1.00 0.00 C ATOM 403 CG1 VAL A 25 -7.909 7.866 13.965 1.00 0.00 C ATOM 404 CG2 VAL A 25 -7.872 9.821 15.534 1.00 0.00 C ATOM 0 H VAL A 25 -7.733 8.548 12.036 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.540 10.528 12.960 1.00 0.00 H new ATOM 0 HB VAL A 25 -9.589 9.023 14.580 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.938 7.207 14.833 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.459 7.408 13.143 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.873 8.025 13.664 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.906 9.118 16.367 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.833 10.051 15.296 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.392 10.738 15.811 1.00 0.00 H new ATOM 414 N CYS A 26 -6.413 11.329 12.806 1.00 0.00 N ATOM 415 CA CYS A 26 -5.466 12.428 12.949 1.00 0.00 C ATOM 416 C CYS A 26 -5.961 13.660 12.198 1.00 0.00 C ATOM 417 O CYS A 26 -5.608 14.790 12.538 1.00 0.00 O ATOM 418 CB CYS A 26 -4.089 12.015 12.425 1.00 0.00 C ATOM 419 SG CYS A 26 -2.827 13.300 12.573 1.00 0.00 S ATOM 0 H CYS A 26 -6.075 10.551 12.240 1.00 0.00 H new ATOM 0 HA CYS A 26 -5.382 12.673 14.008 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.756 11.130 12.967 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.181 11.731 11.377 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.399 14.466 12.622 1.00 0.00 H new ATOM 425 N GLY A 27 -6.784 13.431 11.176 1.00 0.00 N ATOM 426 CA GLY A 27 -7.322 14.528 10.394 1.00 0.00 C ATOM 427 C GLY A 27 -7.165 14.315 8.899 1.00 0.00 C ATOM 428 O GLY A 27 -6.510 15.108 8.222 1.00 0.00 O ATOM 0 H GLY A 27 -7.087 12.504 10.877 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.379 14.653 10.630 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.820 15.453 10.680 1.00 0.00 H new ATOM 432 N ARG A 28 -7.785 13.254 8.382 1.00 0.00 N ATOM 433 CA ARG A 28 -7.714 12.934 6.958 1.00 0.00 C ATOM 434 C ARG A 28 -8.636 11.772 6.606 1.00 0.00 C ATOM 435 O ARG A 28 -9.511 11.399 7.387 1.00 0.00 O ATOM 436 CB ARG A 28 -6.279 12.583 6.564 1.00 0.00 C ATOM 437 CG ARG A 28 -5.569 13.692 5.811 1.00 0.00 C ATOM 438 CD ARG A 28 -5.989 13.735 4.351 1.00 0.00 C ATOM 439 NE ARG A 28 -6.437 15.066 3.949 1.00 0.00 N ATOM 440 CZ ARG A 28 -6.951 15.342 2.754 1.00 0.00 C ATOM 441 NH1 ARG A 28 -7.084 14.383 1.847 1.00 0.00 N ATOM 442 NH2 ARG A 28 -7.335 16.579 2.466 1.00 0.00 N ATOM 0 H ARG A 28 -8.343 12.600 8.931 1.00 0.00 H new ATOM 0 HA ARG A 28 -8.039 13.815 6.404 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.712 12.345 7.464 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -6.290 11.685 5.947 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.788 14.650 6.282 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.491 13.544 5.876 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.151 13.430 3.724 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.791 13.016 4.183 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.351 15.827 4.623 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.792 13.430 2.065 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.479 14.598 0.931 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -7.236 17.319 3.161 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.729 16.790 1.549 1.00 0.00 H new ATOM 456 N THR A 29 -8.431 11.206 5.418 1.00 0.00 N ATOM 457 CA THR A 29 -9.226 10.075 4.951 1.00 0.00 C ATOM 458 C THR A 29 -8.353 9.092 4.175 1.00 0.00 C ATOM 459 O THR A 29 -7.532 9.498 3.352 1.00 0.00 O ATOM 460 CB THR A 29 -10.377 10.564 4.069 1.00 0.00 C ATOM 461 OG1 THR A 29 -11.214 11.454 4.788 1.00 0.00 O ATOM 462 CG2 THR A 29 -11.247 9.446 3.536 1.00 0.00 C ATOM 0 H THR A 29 -7.717 11.515 4.759 1.00 0.00 H new ATOM 0 HA THR A 29 -9.640 9.563 5.820 1.00 0.00 H new ATOM 0 HB THR A 29 -9.900 11.061 3.224 1.00 0.00 H new ATOM 0 HG1 THR A 29 -11.943 11.758 4.208 1.00 0.00 H new ATOM 0 HG21 THR A 29 -12.042 9.866 2.920 1.00 0.00 H new ATOM 0 HG22 THR A 29 -10.641 8.768 2.935 1.00 0.00 H new ATOM 0 HG23 THR A 29 -11.686 8.897 4.370 1.00 0.00 H new ATOM 470 N VAL A 30 -8.529 7.801 4.444 1.00 0.00 N ATOM 471 CA VAL A 30 -7.740 6.770 3.778 1.00 0.00 C ATOM 472 C VAL A 30 -8.488 6.174 2.592 1.00 0.00 C ATOM 473 O VAL A 30 -9.542 5.560 2.754 1.00 0.00 O ATOM 474 CB VAL A 30 -7.355 5.640 4.748 1.00 0.00 C ATOM 475 CG1 VAL A 30 -6.334 4.712 4.107 1.00 0.00 C ATOM 476 CG2 VAL A 30 -6.819 6.216 6.046 1.00 0.00 C ATOM 0 H VAL A 30 -9.209 7.445 5.116 1.00 0.00 H new ATOM 0 HA VAL A 30 -6.833 7.257 3.420 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.248 5.058 4.975 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.073 3.919 4.807 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.758 4.274 3.203 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.439 5.278 3.850 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.551 5.403 6.721 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.937 6.821 5.838 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.584 6.838 6.512 1.00 0.00 H new ATOM 486 N ASN A 31 -7.950 6.388 1.398 1.00 0.00 N ATOM 487 CA ASN A 31 -8.559 5.865 0.178 1.00 0.00 C ATOM 488 C ASN A 31 -7.860 4.590 -0.286 1.00 0.00 C ATOM 489 O ASN A 31 -6.688 4.616 -0.662 1.00 0.00 O ATOM 490 CB ASN A 31 -8.511 6.917 -0.932 1.00 0.00 C ATOM 491 CG ASN A 31 -9.723 6.855 -1.839 1.00 0.00 C ATOM 492 OD1 ASN A 31 -10.238 5.776 -2.134 1.00 0.00 O ATOM 493 ND2 ASN A 31 -10.188 8.016 -2.287 1.00 0.00 N ATOM 0 H ASN A 31 -7.093 6.920 1.247 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.598 5.624 0.401 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -8.445 7.909 -0.486 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.608 6.774 -1.526 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.003 8.037 -2.901 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.730 8.887 -2.017 1.00 0.00 H new ATOM 500 N VAL A 32 -8.576 3.468 -0.251 1.00 0.00 N ATOM 501 CA VAL A 32 -8.013 2.204 -0.707 1.00 0.00 C ATOM 502 C VAL A 32 -7.737 2.251 -2.210 1.00 0.00 C ATOM 503 O VAL A 32 -7.816 3.314 -2.827 1.00 0.00 O ATOM 504 CB VAL A 32 -8.923 1.003 -0.357 1.00 0.00 C ATOM 505 CG1 VAL A 32 -9.502 1.173 1.039 1.00 0.00 C ATOM 506 CG2 VAL A 32 -10.034 0.817 -1.380 1.00 0.00 C ATOM 0 H VAL A 32 -9.537 3.410 0.085 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.070 2.059 -0.180 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.309 0.103 -0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.141 0.322 1.274 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.691 1.230 1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.090 2.090 1.080 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.650 -0.037 -1.097 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -10.651 1.715 -1.414 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.598 0.640 -2.363 1.00 0.00 H new ATOM 516 N LYS A 33 -7.408 1.103 -2.796 1.00 0.00 N ATOM 517 CA LYS A 33 -7.120 1.032 -4.225 1.00 0.00 C ATOM 518 C LYS A 33 -8.301 1.547 -5.046 1.00 0.00 C ATOM 519 O LYS A 33 -9.325 1.952 -4.495 1.00 0.00 O ATOM 520 CB LYS A 33 -6.792 -0.406 -4.630 1.00 0.00 C ATOM 521 CG LYS A 33 -5.718 -0.503 -5.702 1.00 0.00 C ATOM 522 CD LYS A 33 -5.336 -1.949 -5.980 1.00 0.00 C ATOM 523 CE LYS A 33 -6.096 -2.509 -7.172 1.00 0.00 C ATOM 524 NZ LYS A 33 -5.908 -1.676 -8.392 1.00 0.00 N ATOM 0 H LYS A 33 -7.334 0.212 -2.305 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.256 1.665 -4.427 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.466 -0.958 -3.749 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.700 -0.890 -4.991 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.076 -0.037 -6.620 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.836 0.053 -5.386 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.264 -2.013 -6.168 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.542 -2.556 -5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.759 -3.526 -7.372 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.158 -2.566 -6.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.007 -2.272 -9.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.626 -0.924 -8.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.960 -1.249 -8.378 1.00 0.00 H new ATOM 538 N ASP A 34 -8.164 1.508 -6.368 1.00 0.00 N ATOM 539 CA ASP A 34 -9.223 1.972 -7.256 1.00 0.00 C ATOM 540 C ASP A 34 -10.180 0.833 -7.578 1.00 0.00 C ATOM 541 O ASP A 34 -11.399 0.996 -7.516 1.00 0.00 O ATOM 542 CB ASP A 34 -8.630 2.539 -8.548 1.00 0.00 C ATOM 543 CG ASP A 34 -7.332 1.859 -8.940 1.00 0.00 C ATOM 544 OD1 ASP A 34 -6.268 2.275 -8.436 1.00 0.00 O ATOM 545 OD2 ASP A 34 -7.381 0.909 -9.749 1.00 0.00 O ATOM 0 H ASP A 34 -7.333 1.161 -6.846 1.00 0.00 H new ATOM 0 HA ASP A 34 -9.775 2.763 -6.748 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.353 2.427 -9.356 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.454 3.608 -8.424 1.00 0.00 H new ATOM 550 N ARG A 35 -9.620 -0.326 -7.902 1.00 0.00 N ATOM 551 CA ARG A 35 -10.423 -1.504 -8.193 1.00 0.00 C ATOM 552 C ARG A 35 -10.788 -2.229 -6.898 1.00 0.00 C ATOM 553 O ARG A 35 -11.624 -1.753 -6.130 1.00 0.00 O ATOM 554 CB ARG A 35 -9.671 -2.441 -9.143 1.00 0.00 C ATOM 555 CG ARG A 35 -9.380 -1.824 -10.501 1.00 0.00 C ATOM 556 CD ARG A 35 -10.276 -2.406 -11.582 1.00 0.00 C ATOM 557 NE ARG A 35 -9.680 -2.285 -12.910 1.00 0.00 N ATOM 558 CZ ARG A 35 -9.670 -1.157 -13.614 1.00 0.00 C ATOM 559 NH1 ARG A 35 -10.221 -0.056 -13.120 1.00 0.00 N ATOM 560 NH2 ARG A 35 -9.109 -1.130 -14.815 1.00 0.00 N ATOM 0 H ARG A 35 -8.613 -0.474 -7.969 1.00 0.00 H new ATOM 0 HA ARG A 35 -11.344 -1.187 -8.682 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.730 -2.737 -8.679 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -10.257 -3.349 -9.284 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -9.524 -0.745 -10.450 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.336 -1.994 -10.762 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -10.469 -3.457 -11.366 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.239 -1.895 -11.569 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.247 -3.112 -13.320 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -10.654 -0.073 -12.197 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -10.211 0.807 -13.663 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -8.685 -1.975 -15.199 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.101 -0.265 -15.355 1.00 0.00 H new ATOM 574 N ARG A 36 -10.159 -3.377 -6.656 1.00 0.00 N ATOM 575 CA ARG A 36 -10.413 -4.144 -5.442 1.00 0.00 C ATOM 576 C ARG A 36 -9.700 -3.523 -4.239 1.00 0.00 C ATOM 577 O ARG A 36 -10.232 -2.625 -3.587 1.00 0.00 O ATOM 578 CB ARG A 36 -9.969 -5.597 -5.625 1.00 0.00 C ATOM 579 CG ARG A 36 -10.227 -6.144 -7.020 1.00 0.00 C ATOM 580 CD ARG A 36 -9.633 -7.532 -7.194 1.00 0.00 C ATOM 581 NE ARG A 36 -9.951 -8.409 -6.070 1.00 0.00 N ATOM 582 CZ ARG A 36 -10.891 -9.349 -6.111 1.00 0.00 C ATOM 583 NH1 ARG A 36 -11.603 -9.534 -7.214 1.00 0.00 N ATOM 584 NH2 ARG A 36 -11.120 -10.107 -5.046 1.00 0.00 N ATOM 0 H ARG A 36 -9.472 -3.794 -7.284 1.00 0.00 H new ATOM 0 HA ARG A 36 -11.486 -4.124 -5.251 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.904 -5.672 -5.406 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.489 -6.221 -4.898 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.301 -6.181 -7.204 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.799 -5.469 -7.761 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.009 -7.974 -8.116 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.551 -7.453 -7.297 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.423 -8.294 -5.205 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.431 -8.954 -8.035 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.323 -10.256 -7.241 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.575 -9.969 -4.195 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -11.841 -10.828 -5.078 1.00 0.00 H new ATOM 598 N ILE A 37 -8.500 -4.020 -3.948 1.00 0.00 N ATOM 599 CA ILE A 37 -7.715 -3.537 -2.816 1.00 0.00 C ATOM 600 C ILE A 37 -6.227 -3.787 -3.051 1.00 0.00 C ATOM 601 O ILE A 37 -5.850 -4.713 -3.771 1.00 0.00 O ATOM 602 CB ILE A 37 -8.170 -4.222 -1.503 1.00 0.00 C ATOM 603 CG1 ILE A 37 -8.981 -3.240 -0.647 1.00 0.00 C ATOM 604 CG2 ILE A 37 -6.984 -4.777 -0.717 1.00 0.00 C ATOM 605 CD1 ILE A 37 -8.141 -2.231 0.109 1.00 0.00 C ATOM 0 H ILE A 37 -8.049 -4.761 -4.484 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.879 -2.463 -2.722 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.807 -5.066 -1.767 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.678 -2.705 -1.291 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.578 -3.806 0.068 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -7.343 -5.250 0.197 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.458 -5.514 -1.324 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -6.304 -3.964 -0.462 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -8.792 -1.576 0.688 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -7.462 -2.754 0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.564 -1.635 -0.598 1.00 0.00 H new ATOM 617 N PHE A 38 -5.387 -2.967 -2.430 1.00 0.00 N ATOM 618 CA PHE A 38 -3.945 -3.119 -2.553 1.00 0.00 C ATOM 619 C PHE A 38 -3.406 -4.000 -1.431 1.00 0.00 C ATOM 620 O PHE A 38 -3.979 -4.050 -0.346 1.00 0.00 O ATOM 621 CB PHE A 38 -3.260 -1.752 -2.521 1.00 0.00 C ATOM 622 CG PHE A 38 -2.025 -1.678 -3.373 1.00 0.00 C ATOM 623 CD1 PHE A 38 -0.797 -2.077 -2.871 1.00 0.00 C ATOM 624 CD2 PHE A 38 -2.093 -1.212 -4.677 1.00 0.00 C ATOM 625 CE1 PHE A 38 0.341 -2.011 -3.652 1.00 0.00 C ATOM 626 CE2 PHE A 38 -0.958 -1.144 -5.462 1.00 0.00 C ATOM 627 CZ PHE A 38 0.260 -1.544 -4.948 1.00 0.00 C ATOM 0 H PHE A 38 -5.681 -2.191 -1.837 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.730 -3.597 -3.509 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.967 -0.993 -2.854 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.996 -1.511 -1.491 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.728 -2.444 -1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -3.043 -0.899 -5.084 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.293 -2.324 -3.249 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.023 -0.779 -6.476 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.148 -1.491 -5.560 1.00 0.00 H new ATOM 637 N GLY A 39 -2.323 -4.715 -1.711 1.00 0.00 N ATOM 638 CA GLY A 39 -1.724 -5.590 -0.717 1.00 0.00 C ATOM 639 C GLY A 39 -2.741 -6.467 -0.011 1.00 0.00 C ATOM 640 O GLY A 39 -3.297 -6.079 1.017 1.00 0.00 O ATOM 0 H GLY A 39 -1.846 -4.705 -2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.979 -6.223 -1.199 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.198 -4.985 0.022 1.00 0.00 H new ATOM 644 N ARG A 40 -2.985 -7.653 -0.556 1.00 0.00 N ATOM 645 CA ARG A 40 -3.925 -8.587 0.052 1.00 0.00 C ATOM 646 C ARG A 40 -3.195 -9.514 1.015 1.00 0.00 C ATOM 647 O ARG A 40 -2.674 -10.556 0.617 1.00 0.00 O ATOM 648 CB ARG A 40 -4.644 -9.404 -1.024 1.00 0.00 C ATOM 649 CG ARG A 40 -6.086 -9.734 -0.671 1.00 0.00 C ATOM 650 CD ARG A 40 -6.168 -10.905 0.294 1.00 0.00 C ATOM 651 NE ARG A 40 -7.240 -11.831 -0.059 1.00 0.00 N ATOM 652 CZ ARG A 40 -7.135 -13.154 0.038 1.00 0.00 C ATOM 653 NH1 ARG A 40 -6.010 -13.704 0.476 1.00 0.00 N ATOM 654 NH2 ARG A 40 -8.155 -13.928 -0.304 1.00 0.00 N ATOM 0 H ARG A 40 -2.547 -7.990 -1.414 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.669 -8.016 0.607 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.625 -8.850 -1.963 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -4.097 -10.332 -1.191 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -6.562 -8.860 -0.226 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -6.639 -9.970 -1.580 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.217 -11.437 0.300 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.330 -10.531 1.305 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.119 -11.442 -0.399 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.222 -13.112 0.740 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.933 -14.718 0.549 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.022 -13.510 -0.642 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.073 -14.942 -0.229 1.00 0.00 H new ATOM 668 N ALA A 41 -3.118 -9.098 2.272 1.00 0.00 N ATOM 669 CA ALA A 41 -2.415 -9.867 3.289 1.00 0.00 C ATOM 670 C ALA A 41 -3.369 -10.721 4.110 1.00 0.00 C ATOM 671 O ALA A 41 -4.188 -10.201 4.862 1.00 0.00 O ATOM 672 CB ALA A 41 -1.633 -8.937 4.200 1.00 0.00 C ATOM 0 H ALA A 41 -3.534 -8.231 2.612 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.725 -10.538 2.778 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.111 -9.523 4.957 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.907 -8.376 3.611 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.319 -8.243 4.687 1.00 0.00 H new ATOM 678 N ASP A 42 -3.239 -12.036 3.984 1.00 0.00 N ATOM 679 CA ASP A 42 -4.070 -12.957 4.745 1.00 0.00 C ATOM 680 C ASP A 42 -3.496 -13.153 6.145 1.00 0.00 C ATOM 681 O ASP A 42 -4.235 -13.344 7.111 1.00 0.00 O ATOM 682 CB ASP A 42 -4.172 -14.304 4.024 1.00 0.00 C ATOM 683 CG ASP A 42 -4.814 -15.375 4.882 1.00 0.00 C ATOM 684 OD1 ASP A 42 -5.861 -15.092 5.502 1.00 0.00 O ATOM 685 OD2 ASP A 42 -4.271 -16.499 4.934 1.00 0.00 O ATOM 0 H ASP A 42 -2.567 -12.487 3.363 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.070 -12.531 4.831 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.752 -14.180 3.109 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.175 -14.630 3.727 1.00 0.00 H new ATOM 690 N ASP A 43 -2.169 -13.127 6.237 1.00 0.00 N ATOM 691 CA ASP A 43 -1.484 -13.287 7.515 1.00 0.00 C ATOM 692 C ASP A 43 -1.306 -11.942 8.211 1.00 0.00 C ATOM 693 O ASP A 43 -0.853 -10.974 7.599 1.00 0.00 O ATOM 694 CB ASP A 43 -0.121 -13.951 7.306 1.00 0.00 C ATOM 695 CG ASP A 43 -0.194 -15.463 7.401 1.00 0.00 C ATOM 696 OD1 ASP A 43 -0.411 -15.978 8.518 1.00 0.00 O ATOM 697 OD2 ASP A 43 -0.032 -16.132 6.358 1.00 0.00 O ATOM 0 H ASP A 43 -1.546 -12.996 5.440 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.099 -13.925 8.151 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.271 -13.670 6.329 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.581 -13.576 8.051 1.00 0.00 H new ATOM 702 N PHE A 44 -1.663 -11.888 9.490 1.00 0.00 N ATOM 703 CA PHE A 44 -1.523 -10.663 10.270 1.00 0.00 C ATOM 704 C PHE A 44 -0.077 -10.176 10.254 1.00 0.00 C ATOM 705 O PHE A 44 0.184 -8.972 10.267 1.00 0.00 O ATOM 706 CB PHE A 44 -1.984 -10.892 11.711 1.00 0.00 C ATOM 707 CG PHE A 44 -1.817 -9.691 12.598 1.00 0.00 C ATOM 708 CD1 PHE A 44 -2.708 -8.631 12.529 1.00 0.00 C ATOM 709 CD2 PHE A 44 -0.770 -9.622 13.502 1.00 0.00 C ATOM 710 CE1 PHE A 44 -2.557 -7.526 13.344 1.00 0.00 C ATOM 711 CE2 PHE A 44 -0.613 -8.519 14.320 1.00 0.00 C ATOM 712 CZ PHE A 44 -1.507 -7.469 14.241 1.00 0.00 C ATOM 0 H PHE A 44 -2.051 -12.677 10.008 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.152 -9.897 9.817 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -3.034 -11.185 11.705 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.423 -11.726 12.134 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.530 -8.670 11.830 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -0.068 -10.440 13.569 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -3.259 -6.707 13.280 1.00 0.00 H new ATOM 0 HE2 PHE A 44 0.208 -8.478 15.020 1.00 0.00 H new ATOM 0 HZ PHE A 44 -1.386 -6.606 14.879 1.00 0.00 H new ATOM 722 N GLU A 45 0.859 -11.121 10.224 1.00 0.00 N ATOM 723 CA GLU A 45 2.279 -10.790 10.200 1.00 0.00 C ATOM 724 C GLU A 45 2.653 -10.101 8.893 1.00 0.00 C ATOM 725 O GLU A 45 3.320 -9.066 8.894 1.00 0.00 O ATOM 726 CB GLU A 45 3.122 -12.054 10.382 1.00 0.00 C ATOM 727 CG GLU A 45 3.888 -12.091 11.694 1.00 0.00 C ATOM 728 CD GLU A 45 3.154 -12.854 12.779 1.00 0.00 C ATOM 729 OE1 GLU A 45 1.993 -12.498 13.072 1.00 0.00 O ATOM 730 OE2 GLU A 45 3.739 -13.808 13.334 1.00 0.00 O ATOM 0 H GLU A 45 0.659 -12.121 10.216 1.00 0.00 H new ATOM 0 HA GLU A 45 2.481 -10.105 11.023 1.00 0.00 H new ATOM 0 HB2 GLU A 45 2.471 -12.926 10.327 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.829 -12.131 9.556 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.862 -12.551 11.528 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.070 -11.071 12.033 1.00 0.00 H new ATOM 737 N GLU A 46 2.213 -10.677 7.779 1.00 0.00 N ATOM 738 CA GLU A 46 2.496 -10.115 6.464 1.00 0.00 C ATOM 739 C GLU A 46 1.755 -8.797 6.270 1.00 0.00 C ATOM 740 O GLU A 46 2.153 -7.962 5.457 1.00 0.00 O ATOM 741 CB GLU A 46 2.098 -11.105 5.367 1.00 0.00 C ATOM 742 CG GLU A 46 2.455 -10.640 3.964 1.00 0.00 C ATOM 743 CD GLU A 46 3.870 -11.014 3.569 1.00 0.00 C ATOM 744 OE1 GLU A 46 4.793 -10.787 4.379 1.00 0.00 O ATOM 745 OE2 GLU A 46 4.056 -11.534 2.448 1.00 0.00 O ATOM 0 H GLU A 46 1.659 -11.533 7.761 1.00 0.00 H new ATOM 0 HA GLU A 46 3.567 -9.924 6.398 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.586 -12.061 5.558 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.023 -11.279 5.420 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.755 -11.077 3.251 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.339 -9.558 3.903 1.00 0.00 H new ATOM 752 N ALA A 47 0.670 -8.622 7.017 1.00 0.00 N ATOM 753 CA ALA A 47 -0.130 -7.404 6.938 1.00 0.00 C ATOM 754 C ALA A 47 0.706 -6.173 7.277 1.00 0.00 C ATOM 755 O ALA A 47 0.788 -5.231 6.490 1.00 0.00 O ATOM 756 CB ALA A 47 -1.330 -7.504 7.869 1.00 0.00 C ATOM 0 H ALA A 47 0.323 -9.310 7.686 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.485 -7.296 5.913 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.920 -6.590 7.802 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -1.946 -8.355 7.579 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -0.985 -7.639 8.894 1.00 0.00 H new ATOM 762 N SER A 48 1.315 -6.188 8.459 1.00 0.00 N ATOM 763 CA SER A 48 2.135 -5.071 8.918 1.00 0.00 C ATOM 764 C SER A 48 3.305 -4.809 7.974 1.00 0.00 C ATOM 765 O SER A 48 3.658 -3.659 7.714 1.00 0.00 O ATOM 766 CB SER A 48 2.660 -5.350 10.328 1.00 0.00 C ATOM 767 OG SER A 48 1.725 -6.102 11.081 1.00 0.00 O ATOM 0 H SER A 48 1.256 -6.964 9.118 1.00 0.00 H new ATOM 0 HA SER A 48 1.506 -4.181 8.931 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.603 -5.893 10.267 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.867 -4.408 10.836 1.00 0.00 H new ATOM 0 HG SER A 48 2.085 -6.268 11.977 1.00 0.00 H new ATOM 773 N GLU A 49 3.913 -5.882 7.474 1.00 0.00 N ATOM 774 CA GLU A 49 5.057 -5.763 6.577 1.00 0.00 C ATOM 775 C GLU A 49 4.643 -5.193 5.225 1.00 0.00 C ATOM 776 O GLU A 49 5.392 -4.439 4.602 1.00 0.00 O ATOM 777 CB GLU A 49 5.725 -7.127 6.386 1.00 0.00 C ATOM 778 CG GLU A 49 7.000 -7.296 7.195 1.00 0.00 C ATOM 779 CD GLU A 49 8.246 -6.940 6.406 1.00 0.00 C ATOM 780 OE1 GLU A 49 8.174 -6.017 5.568 1.00 0.00 O ATOM 781 OE2 GLU A 49 9.292 -7.585 6.626 1.00 0.00 O ATOM 0 H GLU A 49 3.632 -6.842 7.675 1.00 0.00 H new ATOM 0 HA GLU A 49 5.769 -5.075 7.033 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.020 -7.910 6.666 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.953 -7.266 5.329 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.947 -6.668 8.085 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.074 -8.328 7.537 1.00 0.00 H new ATOM 788 N LEU A 50 3.446 -5.556 4.774 1.00 0.00 N ATOM 789 CA LEU A 50 2.931 -5.075 3.497 1.00 0.00 C ATOM 790 C LEU A 50 2.646 -3.578 3.559 1.00 0.00 C ATOM 791 O LEU A 50 2.951 -2.838 2.625 1.00 0.00 O ATOM 792 CB LEU A 50 1.660 -5.835 3.118 1.00 0.00 C ATOM 793 CG LEU A 50 1.809 -6.801 1.939 1.00 0.00 C ATOM 794 CD1 LEU A 50 0.500 -7.531 1.681 1.00 0.00 C ATOM 795 CD2 LEU A 50 2.262 -6.056 0.693 1.00 0.00 C ATOM 0 H LEU A 50 2.815 -6.182 5.274 1.00 0.00 H new ATOM 0 HA LEU A 50 3.690 -5.251 2.735 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.318 -6.397 3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.880 -5.112 2.879 1.00 0.00 H new ATOM 0 HG LEU A 50 2.570 -7.539 2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.624 -8.213 0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.218 -8.097 2.569 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.281 -6.807 1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.363 -6.758 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.525 -5.295 0.436 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.224 -5.580 0.883 1.00 0.00 H new ATOM 807 N VAL A 51 2.080 -3.141 4.677 1.00 0.00 N ATOM 808 CA VAL A 51 1.750 -1.736 4.879 1.00 0.00 C ATOM 809 C VAL A 51 3.008 -0.871 4.909 1.00 0.00 C ATOM 810 O VAL A 51 3.063 0.179 4.268 1.00 0.00 O ATOM 811 CB VAL A 51 0.973 -1.534 6.192 1.00 0.00 C ATOM 812 CG1 VAL A 51 0.775 -0.055 6.480 1.00 0.00 C ATOM 813 CG2 VAL A 51 -0.364 -2.258 6.139 1.00 0.00 C ATOM 0 H VAL A 51 1.839 -3.745 5.463 1.00 0.00 H new ATOM 0 HA VAL A 51 1.126 -1.431 4.039 1.00 0.00 H new ATOM 0 HB VAL A 51 1.560 -1.960 7.005 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.224 0.063 7.413 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.746 0.432 6.568 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.213 0.402 5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -0.899 -2.104 7.076 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -0.958 -1.866 5.313 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.195 -3.324 5.989 1.00 0.00 H new ATOM 823 N ARG A 52 4.015 -1.314 5.658 1.00 0.00 N ATOM 824 CA ARG A 52 5.265 -0.568 5.771 1.00 0.00 C ATOM 825 C ARG A 52 5.939 -0.449 4.411 1.00 0.00 C ATOM 826 O ARG A 52 6.435 0.617 4.047 1.00 0.00 O ATOM 827 CB ARG A 52 6.205 -1.248 6.767 1.00 0.00 C ATOM 828 CG ARG A 52 6.457 -0.428 8.022 1.00 0.00 C ATOM 829 CD ARG A 52 5.719 -1.004 9.219 1.00 0.00 C ATOM 830 NE ARG A 52 6.173 -0.418 10.478 1.00 0.00 N ATOM 831 CZ ARG A 52 5.379 0.246 11.312 1.00 0.00 C ATOM 832 NH1 ARG A 52 4.095 0.412 11.022 1.00 0.00 N ATOM 833 NH2 ARG A 52 5.868 0.748 12.439 1.00 0.00 N ATOM 0 H ARG A 52 3.990 -2.182 6.193 1.00 0.00 H new ATOM 0 HA ARG A 52 5.035 0.433 6.135 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.784 -2.212 7.051 1.00 0.00 H new ATOM 0 HB3 ARG A 52 7.158 -1.448 6.276 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.526 -0.400 8.231 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.137 0.601 7.856 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.649 -0.830 9.103 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.864 -2.084 9.249 1.00 0.00 H new ATOM 0 HE ARG A 52 7.155 -0.524 10.731 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.714 0.029 10.157 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.489 0.922 11.664 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.855 0.625 12.666 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.257 1.257 13.078 1.00 0.00 H new ATOM 847 N LYS A 53 5.935 -1.540 3.655 1.00 0.00 N ATOM 848 CA LYS A 53 6.498 -1.528 2.314 1.00 0.00 C ATOM 849 C LYS A 53 5.655 -0.631 1.420 1.00 0.00 C ATOM 850 O LYS A 53 6.167 0.026 0.512 1.00 0.00 O ATOM 851 CB LYS A 53 6.555 -2.945 1.740 1.00 0.00 C ATOM 852 CG LYS A 53 7.963 -3.406 1.401 1.00 0.00 C ATOM 853 CD LYS A 53 7.950 -4.539 0.387 1.00 0.00 C ATOM 854 CE LYS A 53 9.180 -4.502 -0.507 1.00 0.00 C ATOM 855 NZ LYS A 53 10.424 -4.239 0.268 1.00 0.00 N ATOM 0 H LYS A 53 5.550 -2.438 3.947 1.00 0.00 H new ATOM 0 HA LYS A 53 7.516 -1.140 2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.118 -3.638 2.459 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.940 -2.989 0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.536 -2.568 1.004 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.468 -3.735 2.309 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.907 -5.495 0.909 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.051 -4.470 -0.226 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.275 -5.452 -1.033 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.054 -3.729 -1.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.245 -4.595 -0.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.528 -3.216 0.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.369 -4.723 1.187 1.00 0.00 H new ATOM 869 N LEU A 54 4.355 -0.605 1.698 1.00 0.00 N ATOM 870 CA LEU A 54 3.424 0.237 0.960 1.00 0.00 C ATOM 871 C LEU A 54 3.697 1.710 1.240 1.00 0.00 C ATOM 872 O LEU A 54 3.335 2.582 0.449 1.00 0.00 O ATOM 873 CB LEU A 54 1.983 -0.107 1.347 1.00 0.00 C ATOM 874 CG LEU A 54 1.116 -0.670 0.218 1.00 0.00 C ATOM 875 CD1 LEU A 54 0.906 0.376 -0.866 1.00 0.00 C ATOM 876 CD2 LEU A 54 1.740 -1.931 -0.363 1.00 0.00 C ATOM 0 H LEU A 54 3.922 -1.162 2.435 1.00 0.00 H new ATOM 0 HA LEU A 54 3.562 0.052 -0.105 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.007 -0.832 2.160 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.505 0.792 1.736 1.00 0.00 H new ATOM 0 HG LEU A 54 0.143 -0.934 0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.287 -0.042 -1.660 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.409 1.247 -0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.871 0.674 -1.276 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.107 -2.314 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.728 -1.698 -0.761 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.832 -2.685 0.419 1.00 0.00 H new ATOM 888 N GLN A 55 4.331 1.980 2.379 1.00 0.00 N ATOM 889 CA GLN A 55 4.645 3.347 2.777 1.00 0.00 C ATOM 890 C GLN A 55 5.677 3.965 1.842 1.00 0.00 C ATOM 891 O GLN A 55 6.213 3.295 0.959 1.00 0.00 O ATOM 892 CB GLN A 55 5.165 3.380 4.214 1.00 0.00 C ATOM 893 CG GLN A 55 4.128 2.975 5.248 1.00 0.00 C ATOM 894 CD GLN A 55 4.680 2.970 6.660 1.00 0.00 C ATOM 895 OE1 GLN A 55 5.739 3.539 6.928 1.00 0.00 O ATOM 896 NE2 GLN A 55 3.962 2.326 7.572 1.00 0.00 N ATOM 0 H GLN A 55 4.637 1.268 3.042 1.00 0.00 H new ATOM 0 HA GLN A 55 3.727 3.931 2.716 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.025 2.715 4.295 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.517 4.386 4.441 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.282 3.660 5.196 1.00 0.00 H new ATOM 0 HG3 GLN A 55 3.749 1.982 5.007 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.090 1.869 7.305 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.282 2.289 8.540 1.00 0.00 H new