USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 427 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 16 SER OG : rot 179:sc= 1.27 USER MOD Set 1.2: A 46 SER OG : rot 83:sc= 1.31 USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= 0.172 USER MOD Set 2.2: A 37 ASN : amide:sc= 0 K(o=0.17,f=-0.7) USER MOD Single : A 3 CYS SG : rot 63:sc= 0.803 USER MOD Single : A 6 SER OG : rot 180:sc= -0.0684 USER MOD Single : A 8 LYS NZ :NH3+ -176:sc= 0.634 (180deg=0.629) USER MOD Single : A 18 LYS NZ :NH3+ 132:sc= 1.31 (180deg=0.604) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 88:sc= 0.191 USER MOD Single : A 25 LYS NZ :NH3+ -163:sc= 0.959 (180deg=0.786) USER MOD Single : A 26 SER OG : rot -150:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -84:sc=-0.00277 USER MOD Single : A 42 ASN : amide:sc= 1.08 K(o=1.1,f=-0.097) USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 -6.719 -1.308 -7.412 1.00 0.00 N ATOM 19 CA LEU A 2 -6.408 -2.688 -7.014 1.00 0.00 C ATOM 20 C LEU A 2 -4.917 -2.863 -6.721 1.00 0.00 C ATOM 21 O LEU A 2 -4.066 -2.198 -7.319 1.00 0.00 O ATOM 22 CB LEU A 2 -6.984 -3.681 -8.044 1.00 0.00 C ATOM 23 CG LEU A 2 -6.358 -3.627 -9.456 1.00 0.00 C ATOM 24 CD1 LEU A 2 -5.168 -4.578 -9.613 1.00 0.00 C ATOM 25 CD2 LEU A 2 -7.396 -4.041 -10.503 1.00 0.00 C ATOM 0 HA LEU A 2 -6.901 -2.917 -6.069 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.864 -4.691 -7.653 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.055 -3.500 -8.135 1.00 0.00 H new ATOM 0 HG LEU A 2 -6.019 -2.601 -9.597 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -4.769 -4.497 -10.624 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -4.393 -4.312 -8.894 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -5.494 -5.602 -9.432 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -6.948 -4.001 -11.496 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.734 -5.057 -10.299 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.246 -3.361 -10.461 1.00 0.00 H new ATOM 37 N CYS A 3 -4.605 -3.778 -5.800 1.00 0.00 N ATOM 38 CA CYS A 3 -3.286 -3.916 -5.223 1.00 0.00 C ATOM 39 C CYS A 3 -2.150 -4.213 -6.215 1.00 0.00 C ATOM 40 O CYS A 3 -2.260 -5.088 -7.068 1.00 0.00 O ATOM 41 CB CYS A 3 -3.367 -4.912 -4.048 1.00 0.00 C ATOM 42 SG CYS A 3 -4.882 -4.857 -3.068 1.00 0.00 S ATOM 0 H CYS A 3 -5.280 -4.450 -5.435 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.989 -2.936 -4.850 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.250 -5.921 -4.444 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.522 -4.730 -3.384 1.00 0.00 H new ATOM 0 HG CYS A 3 -5.896 -5.170 -3.819 1.00 0.00 H new ATOM 48 N ALA A 4 -1.010 -3.533 -6.048 1.00 0.00 N ATOM 49 CA ALA A 4 0.176 -3.800 -6.882 1.00 0.00 C ATOM 50 C ALA A 4 0.847 -5.152 -6.549 1.00 0.00 C ATOM 51 O ALA A 4 1.648 -5.665 -7.330 1.00 0.00 O ATOM 52 CB ALA A 4 1.185 -2.653 -6.771 1.00 0.00 C ATOM 0 H ALA A 4 -0.880 -2.800 -5.351 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.172 -3.867 -7.913 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.053 -2.870 -7.394 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.720 -1.726 -7.106 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.501 -2.546 -5.733 1.00 0.00 H new ATOM 58 N ILE A 5 0.523 -5.714 -5.376 1.00 0.00 N ATOM 59 CA ILE A 5 1.179 -6.889 -4.789 1.00 0.00 C ATOM 60 C ILE A 5 0.374 -8.177 -5.053 1.00 0.00 C ATOM 61 O ILE A 5 0.944 -9.154 -5.544 1.00 0.00 O ATOM 62 CB ILE A 5 1.458 -6.604 -3.294 1.00 0.00 C ATOM 63 CG1 ILE A 5 2.499 -5.467 -3.167 1.00 0.00 C ATOM 64 CG2 ILE A 5 2.014 -7.880 -2.634 1.00 0.00 C ATOM 65 CD1 ILE A 5 2.659 -4.923 -1.745 1.00 0.00 C ATOM 0 H ILE A 5 -0.229 -5.350 -4.791 1.00 0.00 H new ATOM 0 HA ILE A 5 2.140 -7.071 -5.270 1.00 0.00 H new ATOM 0 HB ILE A 5 0.534 -6.304 -2.801 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.465 -5.832 -3.516 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.210 -4.649 -3.827 1.00 0.00 H new ATOM 0 HG21 ILE A 5 2.213 -7.687 -1.580 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.284 -8.684 -2.724 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.939 -8.173 -3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.406 -4.130 -1.741 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.705 -4.525 -1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 5 2.979 -5.727 -1.082 1.00 0.00 H new ATOM 77 N SER A 6 -0.939 -8.185 -4.773 1.00 0.00 N ATOM 78 CA SER A 6 -1.837 -9.331 -5.031 1.00 0.00 C ATOM 79 C SER A 6 -2.943 -9.057 -6.051 1.00 0.00 C ATOM 80 O SER A 6 -3.438 -9.993 -6.685 1.00 0.00 O ATOM 81 CB SER A 6 -2.466 -9.864 -3.743 1.00 0.00 C ATOM 82 OG SER A 6 -3.518 -9.014 -3.331 1.00 0.00 O ATOM 0 H SER A 6 -1.417 -7.387 -4.355 1.00 0.00 H new ATOM 0 HA SER A 6 -1.181 -10.085 -5.466 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.845 -10.873 -3.904 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.711 -9.928 -2.959 1.00 0.00 H new ATOM 0 HG SER A 6 -3.917 -9.363 -2.507 1.00 0.00 H new ATOM 88 N GLY A 7 -3.328 -7.786 -6.229 1.00 0.00 N ATOM 89 CA GLY A 7 -4.364 -7.393 -7.182 1.00 0.00 C ATOM 90 C GLY A 7 -5.802 -7.550 -6.689 1.00 0.00 C ATOM 91 O GLY A 7 -6.754 -7.481 -7.470 1.00 0.00 O ATOM 0 H GLY A 7 -2.926 -7.003 -5.713 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.204 -6.351 -7.457 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.242 -7.985 -8.089 1.00 0.00 H new ATOM 95 N LYS A 8 -5.941 -7.775 -5.385 1.00 0.00 N ATOM 96 CA LYS A 8 -7.191 -7.909 -4.633 1.00 0.00 C ATOM 97 C LYS A 8 -7.960 -6.576 -4.539 1.00 0.00 C ATOM 98 O LYS A 8 -7.420 -5.513 -4.847 1.00 0.00 O ATOM 99 CB LYS A 8 -6.729 -8.461 -3.278 1.00 0.00 C ATOM 100 CG LYS A 8 -7.803 -8.719 -2.219 1.00 0.00 C ATOM 101 CD LYS A 8 -7.144 -9.379 -1.005 1.00 0.00 C ATOM 102 CE LYS A 8 -8.159 -9.533 0.132 1.00 0.00 C ATOM 103 NZ LYS A 8 -7.491 -9.920 1.398 1.00 0.00 N ATOM 0 H LYS A 8 -5.126 -7.876 -4.780 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.916 -8.569 -5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.202 -9.398 -3.458 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.004 -7.763 -2.859 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.280 -7.783 -1.928 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.584 -9.363 -2.622 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.749 -10.356 -1.283 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.300 -8.777 -0.669 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -8.696 -8.595 0.273 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -8.899 -10.287 -0.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.208 -10.083 2.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.943 -10.791 1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -6.852 -9.157 1.701 1.00 0.00 H new ATOM 117 N VAL A 9 -9.228 -6.631 -4.123 1.00 0.00 N ATOM 118 CA VAL A 9 -10.048 -5.461 -3.747 1.00 0.00 C ATOM 119 C VAL A 9 -9.649 -5.093 -2.302 1.00 0.00 C ATOM 120 O VAL A 9 -9.972 -5.866 -1.394 1.00 0.00 O ATOM 121 CB VAL A 9 -11.555 -5.763 -3.853 1.00 0.00 C ATOM 122 CG1 VAL A 9 -12.398 -4.542 -3.461 1.00 0.00 C ATOM 123 CG2 VAL A 9 -11.941 -6.149 -5.287 1.00 0.00 C ATOM 0 H VAL A 9 -9.733 -7.513 -4.034 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.865 -4.629 -4.427 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.753 -6.590 -3.171 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.456 -4.788 -3.546 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -12.173 -4.260 -2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.164 -3.710 -4.125 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -13.010 -6.357 -5.333 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.702 -5.327 -5.962 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.386 -7.038 -5.587 1.00 0.00 H new ATOM 133 N PRO A 10 -8.912 -3.988 -2.059 1.00 0.00 N ATOM 134 CA PRO A 10 -8.298 -3.695 -0.760 1.00 0.00 C ATOM 135 C PRO A 10 -9.198 -3.794 0.486 1.00 0.00 C ATOM 136 O PRO A 10 -10.119 -2.993 0.665 1.00 0.00 O ATOM 137 CB PRO A 10 -7.677 -2.299 -0.890 1.00 0.00 C ATOM 138 CG PRO A 10 -7.429 -2.133 -2.383 1.00 0.00 C ATOM 139 CD PRO A 10 -8.559 -2.941 -3.017 1.00 0.00 C ATOM 0 HA PRO A 10 -7.570 -4.482 -0.563 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -8.348 -1.529 -0.511 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.750 -2.222 -0.322 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.465 -1.086 -2.683 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.450 -2.514 -2.673 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.418 -2.305 -3.230 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.241 -3.375 -3.965 1.00 0.00 H new ATOM 147 N ARG A 11 -8.902 -4.747 1.383 1.00 0.00 N ATOM 148 CA ARG A 11 -9.492 -4.857 2.735 1.00 0.00 C ATOM 149 C ARG A 11 -9.136 -3.626 3.578 1.00 0.00 C ATOM 150 O ARG A 11 -10.008 -3.038 4.218 1.00 0.00 O ATOM 151 CB ARG A 11 -8.992 -6.162 3.373 1.00 0.00 C ATOM 152 CG ARG A 11 -9.443 -6.429 4.818 1.00 0.00 C ATOM 153 CD ARG A 11 -9.098 -7.863 5.264 1.00 0.00 C ATOM 154 NE ARG A 11 -7.713 -8.258 4.913 1.00 0.00 N ATOM 155 CZ ARG A 11 -6.968 -9.205 5.451 1.00 0.00 C ATOM 156 NH1 ARG A 11 -7.342 -9.902 6.485 1.00 0.00 N ATOM 157 NH2 ARG A 11 -5.813 -9.469 4.917 1.00 0.00 N ATOM 0 H ARG A 11 -8.227 -5.486 1.187 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.580 -4.888 2.677 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.322 -6.995 2.752 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.902 -6.159 3.350 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -8.964 -5.714 5.487 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.518 -6.271 4.899 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.232 -7.945 6.343 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.797 -8.560 4.802 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.279 -7.729 4.157 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.249 -9.727 6.917 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -6.728 -10.624 6.863 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.499 -8.948 4.098 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.221 -10.197 5.317 1.00 0.00 H new ATOM 171 N ARG A 12 -7.862 -3.216 3.525 1.00 0.00 N ATOM 172 CA ARG A 12 -7.333 -1.951 4.063 1.00 0.00 C ATOM 173 C ARG A 12 -6.565 -1.201 2.962 1.00 0.00 C ATOM 174 O ARG A 12 -5.398 -1.526 2.748 1.00 0.00 O ATOM 175 CB ARG A 12 -6.449 -2.218 5.296 1.00 0.00 C ATOM 176 CG ARG A 12 -7.223 -2.410 6.614 1.00 0.00 C ATOM 177 CD ARG A 12 -8.113 -1.222 7.045 1.00 0.00 C ATOM 178 NE ARG A 12 -7.512 0.108 6.797 1.00 0.00 N ATOM 179 CZ ARG A 12 -6.418 0.633 7.319 1.00 0.00 C ATOM 180 NH1 ARG A 12 -5.692 0.059 8.230 1.00 0.00 N ATOM 181 NH2 ARG A 12 -5.984 1.784 6.919 1.00 0.00 N ATOM 0 H ARG A 12 -7.136 -3.782 3.086 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.160 -1.320 4.388 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.849 -3.109 5.110 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.755 -1.386 5.416 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.851 -3.296 6.520 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.506 -2.611 7.410 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.063 -1.283 6.515 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.335 -1.316 8.108 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.011 0.700 6.132 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.955 -0.859 8.589 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.858 0.526 8.587 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.488 2.295 6.194 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.138 2.181 7.329 1.00 0.00 H new ATOM 195 N PRO A 13 -7.187 -0.256 2.226 1.00 0.00 N ATOM 196 CA PRO A 13 -6.536 0.524 1.178 1.00 0.00 C ATOM 197 C PRO A 13 -5.395 1.358 1.746 1.00 0.00 C ATOM 198 O PRO A 13 -5.534 2.113 2.706 1.00 0.00 O ATOM 199 CB PRO A 13 -7.619 1.381 0.512 1.00 0.00 C ATOM 200 CG PRO A 13 -8.728 1.417 1.558 1.00 0.00 C ATOM 201 CD PRO A 13 -8.604 0.031 2.174 1.00 0.00 C ATOM 0 HA PRO A 13 -6.078 -0.126 0.432 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.254 2.381 0.278 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.962 0.940 -0.424 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.575 2.208 2.292 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.709 1.582 1.112 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.044 0.006 3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -9.131 -0.711 1.574 1.00 0.00 H new ATOM 209 N VAL A 14 -4.238 1.173 1.139 1.00 0.00 N ATOM 210 CA VAL A 14 -2.938 1.704 1.566 1.00 0.00 C ATOM 211 C VAL A 14 -2.116 2.141 0.351 1.00 0.00 C ATOM 212 O VAL A 14 -2.145 1.489 -0.689 1.00 0.00 O ATOM 213 CB VAL A 14 -2.234 0.621 2.410 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.718 0.749 2.497 1.00 0.00 C ATOM 215 CG2 VAL A 14 -2.772 0.659 3.844 1.00 0.00 C ATOM 0 H VAL A 14 -4.166 0.618 0.286 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.061 2.595 2.182 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.450 -0.315 1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.319 -0.058 3.111 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.290 0.689 1.496 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.459 1.708 2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.274 -0.106 4.440 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.579 1.640 4.279 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.846 0.471 3.835 1.00 0.00 H new ATOM 225 N LEU A 15 -1.369 3.239 0.485 1.00 0.00 N ATOM 226 CA LEU A 15 -0.555 3.850 -0.571 1.00 0.00 C ATOM 227 C LEU A 15 0.869 4.155 -0.061 1.00 0.00 C ATOM 228 O LEU A 15 1.101 4.303 1.141 1.00 0.00 O ATOM 229 CB LEU A 15 -1.327 5.097 -1.066 1.00 0.00 C ATOM 230 CG LEU A 15 -0.649 5.960 -2.155 1.00 0.00 C ATOM 231 CD1 LEU A 15 -1.697 6.581 -3.080 1.00 0.00 C ATOM 232 CD2 LEU A 15 0.152 7.131 -1.572 1.00 0.00 C ATOM 0 H LEU A 15 -1.312 3.748 1.367 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.404 3.174 -1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.293 4.767 -1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.527 5.735 -0.205 1.00 0.00 H new ATOM 0 HG LEU A 15 0.018 5.282 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.200 7.185 -3.839 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.270 5.790 -3.563 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.368 7.212 -2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.605 7.701 -2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.513 7.778 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.934 6.747 -0.917 1.00 0.00 H new ATOM 244 N SER A 16 1.822 4.272 -0.988 1.00 0.00 N ATOM 245 CA SER A 16 3.184 4.772 -0.757 1.00 0.00 C ATOM 246 C SER A 16 3.538 5.768 -1.876 1.00 0.00 C ATOM 247 O SER A 16 3.400 5.404 -3.050 1.00 0.00 O ATOM 248 CB SER A 16 4.198 3.630 -0.682 1.00 0.00 C ATOM 249 OG SER A 16 5.511 4.153 -0.738 1.00 0.00 O ATOM 0 H SER A 16 1.662 4.011 -1.961 1.00 0.00 H new ATOM 0 HA SER A 16 3.223 5.280 0.207 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.059 3.068 0.242 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.038 2.934 -1.506 1.00 0.00 H new ATOM 0 HG SER A 16 6.158 3.420 -0.675 1.00 0.00 H new ATOM 255 N PRO A 17 3.963 7.014 -1.572 1.00 0.00 N ATOM 256 CA PRO A 17 4.296 8.060 -2.554 1.00 0.00 C ATOM 257 C PRO A 17 5.318 7.702 -3.648 1.00 0.00 C ATOM 258 O PRO A 17 5.456 8.459 -4.614 1.00 0.00 O ATOM 259 CB PRO A 17 4.820 9.241 -1.730 1.00 0.00 C ATOM 260 CG PRO A 17 4.103 9.086 -0.397 1.00 0.00 C ATOM 261 CD PRO A 17 4.037 7.572 -0.228 1.00 0.00 C ATOM 0 HA PRO A 17 3.391 8.260 -3.127 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.903 9.199 -1.611 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.588 10.195 -2.203 1.00 0.00 H new ATOM 0 HG2 PRO A 17 4.652 9.561 0.416 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.110 9.535 -0.416 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.916 7.201 0.299 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.166 7.284 0.361 1.00 0.00 H new ATOM 269 N LYS A 18 6.027 6.571 -3.531 1.00 0.00 N ATOM 270 CA LYS A 18 6.935 6.039 -4.559 1.00 0.00 C ATOM 271 C LYS A 18 6.152 5.420 -5.723 1.00 0.00 C ATOM 272 O LYS A 18 6.338 5.812 -6.875 1.00 0.00 O ATOM 273 CB LYS A 18 7.895 5.005 -3.950 1.00 0.00 C ATOM 274 CG LYS A 18 9.046 5.603 -3.124 1.00 0.00 C ATOM 275 CD LYS A 18 8.627 6.167 -1.754 1.00 0.00 C ATOM 276 CE LYS A 18 9.827 6.206 -0.799 1.00 0.00 C ATOM 277 NZ LYS A 18 10.049 4.888 -0.151 1.00 0.00 N ATOM 0 H LYS A 18 5.984 5.985 -2.697 1.00 0.00 H new ATOM 0 HA LYS A 18 7.521 6.871 -4.950 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.323 4.329 -3.314 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.318 4.404 -4.755 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.802 4.834 -2.969 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.515 6.399 -3.702 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.220 7.171 -1.877 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.835 5.551 -1.327 1.00 0.00 H new ATOM 0 HE2 LYS A 18 10.722 6.498 -1.349 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.661 6.965 -0.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.055 4.632 -0.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.773 4.943 0.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.475 4.165 -0.629 1.00 0.00 H new ATOM 291 N SER A 19 5.270 4.464 -5.423 1.00 0.00 N ATOM 292 CA SER A 19 4.408 3.770 -6.383 1.00 0.00 C ATOM 293 C SER A 19 3.177 4.598 -6.766 1.00 0.00 C ATOM 294 O SER A 19 2.747 4.564 -7.918 1.00 0.00 O ATOM 295 CB SER A 19 3.939 2.447 -5.765 1.00 0.00 C ATOM 296 OG SER A 19 5.053 1.653 -5.385 1.00 0.00 O ATOM 0 H SER A 19 5.131 4.139 -4.466 1.00 0.00 H new ATOM 0 HA SER A 19 4.991 3.600 -7.288 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.314 2.647 -4.895 1.00 0.00 H new ATOM 0 HB3 SER A 19 3.324 1.902 -6.481 1.00 0.00 H new ATOM 0 HG SER A 19 4.737 0.813 -4.991 1.00 0.00 H new ATOM 302 N ARG A 20 2.599 5.333 -5.800 1.00 0.00 N ATOM 303 CA ARG A 20 1.316 6.081 -5.860 1.00 0.00 C ATOM 304 C ARG A 20 0.079 5.244 -6.242 1.00 0.00 C ATOM 305 O ARG A 20 -1.012 5.788 -6.435 1.00 0.00 O ATOM 306 CB ARG A 20 1.475 7.364 -6.705 1.00 0.00 C ATOM 307 CG ARG A 20 2.505 8.308 -6.068 1.00 0.00 C ATOM 308 CD ARG A 20 2.771 9.578 -6.886 1.00 0.00 C ATOM 309 NE ARG A 20 3.392 9.288 -8.193 1.00 0.00 N ATOM 310 CZ ARG A 20 4.639 8.925 -8.438 1.00 0.00 C ATOM 311 NH1 ARG A 20 5.529 8.769 -7.499 1.00 0.00 N ATOM 312 NH2 ARG A 20 5.023 8.706 -9.663 1.00 0.00 N ATOM 0 H ARG A 20 3.043 5.432 -4.887 1.00 0.00 H new ATOM 0 HA ARG A 20 1.093 6.374 -4.834 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.789 7.103 -7.716 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.514 7.871 -6.791 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.157 8.593 -5.075 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.443 7.770 -5.935 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.832 10.109 -7.043 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.421 10.243 -6.318 1.00 0.00 H new ATOM 0 HE ARG A 20 2.784 9.379 -9.007 1.00 0.00 H new ATOM 0 HH11 ARG A 20 5.275 8.928 -6.524 1.00 0.00 H new ATOM 0 HH12 ARG A 20 6.480 8.487 -7.739 1.00 0.00 H new ATOM 0 HH21 ARG A 20 4.362 8.815 -10.432 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.985 8.426 -9.854 1.00 0.00 H new ATOM 326 N THR A 21 0.229 3.924 -6.322 1.00 0.00 N ATOM 327 CA THR A 21 -0.821 2.910 -6.451 1.00 0.00 C ATOM 328 C THR A 21 -1.558 2.727 -5.111 1.00 0.00 C ATOM 329 O THR A 21 -1.154 3.302 -4.096 1.00 0.00 O ATOM 330 CB THR A 21 -0.163 1.584 -6.868 1.00 0.00 C ATOM 331 OG1 THR A 21 0.813 1.209 -5.927 1.00 0.00 O ATOM 332 CG2 THR A 21 0.580 1.671 -8.202 1.00 0.00 C ATOM 0 H THR A 21 1.157 3.501 -6.297 1.00 0.00 H new ATOM 0 HA THR A 21 -1.547 3.225 -7.200 1.00 0.00 H new ATOM 0 HB THR A 21 -0.984 0.871 -6.942 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.394 0.684 -5.213 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.021 0.702 -8.437 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.119 1.953 -8.990 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.368 2.420 -8.131 1.00 0.00 H new ATOM 340 N ILE A 22 -2.628 1.923 -5.073 1.00 0.00 N ATOM 341 CA ILE A 22 -3.294 1.534 -3.820 1.00 0.00 C ATOM 342 C ILE A 22 -3.265 0.011 -3.714 1.00 0.00 C ATOM 343 O ILE A 22 -3.840 -0.685 -4.550 1.00 0.00 O ATOM 344 CB ILE A 22 -4.727 2.101 -3.706 1.00 0.00 C ATOM 345 CG1 ILE A 22 -4.732 3.645 -3.837 1.00 0.00 C ATOM 346 CG2 ILE A 22 -5.365 1.676 -2.368 1.00 0.00 C ATOM 347 CD1 ILE A 22 -6.133 4.271 -3.854 1.00 0.00 C ATOM 0 H ILE A 22 -3.057 1.524 -5.908 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.753 1.968 -2.979 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.317 1.692 -4.526 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.166 4.070 -3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.211 3.922 -4.754 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.374 2.082 -2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.407 0.588 -2.314 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.765 2.057 -1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.047 5.353 -3.948 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.697 3.877 -4.699 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.652 4.028 -2.927 1.00 0.00 H new ATOM 359 N PHE A 23 -2.606 -0.496 -2.679 1.00 0.00 N ATOM 360 CA PHE A 23 -2.552 -1.906 -2.289 1.00 0.00 C ATOM 361 C PHE A 23 -3.261 -2.143 -0.967 1.00 0.00 C ATOM 362 O PHE A 23 -3.694 -1.218 -0.281 1.00 0.00 O ATOM 363 CB PHE A 23 -1.108 -2.478 -2.286 1.00 0.00 C ATOM 364 CG PHE A 23 0.005 -1.456 -2.196 1.00 0.00 C ATOM 365 CD1 PHE A 23 0.129 -0.656 -1.056 1.00 0.00 C ATOM 366 CD2 PHE A 23 0.865 -1.255 -3.283 1.00 0.00 C ATOM 367 CE1 PHE A 23 1.018 0.436 -1.059 1.00 0.00 C ATOM 368 CE2 PHE A 23 1.773 -0.187 -3.284 1.00 0.00 C ATOM 369 CZ PHE A 23 1.834 0.675 -2.178 1.00 0.00 C ATOM 0 H PHE A 23 -2.063 0.097 -2.051 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.091 -2.462 -3.056 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.012 -3.167 -1.447 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.967 -3.062 -3.195 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.456 -0.875 -0.175 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.828 -1.928 -4.127 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.073 1.090 -0.201 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.423 -0.028 -4.132 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.506 1.520 -2.187 1.00 0.00 H new ATOM 379 N GLU A 24 -3.419 -3.416 -0.631 1.00 0.00 N ATOM 380 CA GLU A 24 -3.928 -3.797 0.676 1.00 0.00 C ATOM 381 C GLU A 24 -2.786 -3.718 1.711 1.00 0.00 C ATOM 382 O GLU A 24 -1.688 -4.216 1.445 1.00 0.00 O ATOM 383 CB GLU A 24 -4.664 -5.139 0.598 1.00 0.00 C ATOM 384 CG GLU A 24 -4.984 -5.760 1.966 1.00 0.00 C ATOM 385 CD GLU A 24 -5.954 -6.942 1.848 1.00 0.00 C ATOM 386 OE1 GLU A 24 -6.932 -6.843 1.078 1.00 0.00 O ATOM 387 OE2 GLU A 24 -5.812 -7.948 2.587 1.00 0.00 O ATOM 0 H GLU A 24 -3.202 -4.200 -1.246 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.687 -3.097 1.024 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.595 -4.999 0.048 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.058 -5.841 0.025 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.060 -6.095 2.437 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.416 -5.000 2.617 1.00 0.00 H new ATOM 394 N LYS A 25 -3.033 -3.127 2.896 1.00 0.00 N ATOM 395 CA LYS A 25 -2.086 -2.958 4.010 1.00 0.00 C ATOM 396 C LYS A 25 -1.339 -4.248 4.262 1.00 0.00 C ATOM 397 O LYS A 25 -0.118 -4.254 4.383 1.00 0.00 O ATOM 398 CB LYS A 25 -2.837 -2.551 5.293 1.00 0.00 C ATOM 399 CG LYS A 25 -1.857 -2.224 6.438 1.00 0.00 C ATOM 400 CD LYS A 25 -2.592 -1.613 7.637 1.00 0.00 C ATOM 401 CE LYS A 25 -1.637 -1.224 8.775 1.00 0.00 C ATOM 402 NZ LYS A 25 -1.150 -2.396 9.549 1.00 0.00 N ATOM 0 H LYS A 25 -3.949 -2.734 3.111 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.378 -2.175 3.740 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.464 -1.683 5.090 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.501 -3.359 5.600 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.340 -3.132 6.749 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.096 -1.530 6.082 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.142 -0.730 7.311 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.327 -2.326 8.011 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.783 -0.690 8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.146 -0.536 9.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.756 -2.074 10.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.941 -3.047 9.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.412 -2.888 9.006 1.00 0.00 H new ATOM 416 N SER A 26 -2.099 -5.340 4.305 1.00 0.00 N ATOM 417 CA SER A 26 -1.592 -6.645 4.691 1.00 0.00 C ATOM 418 C SER A 26 -0.527 -7.183 3.726 1.00 0.00 C ATOM 419 O SER A 26 0.421 -7.844 4.150 1.00 0.00 O ATOM 420 CB SER A 26 -2.736 -7.653 4.827 1.00 0.00 C ATOM 421 OG SER A 26 -3.734 -7.139 5.697 1.00 0.00 O ATOM 0 H SER A 26 -3.092 -5.339 4.070 1.00 0.00 H new ATOM 0 HA SER A 26 -1.109 -6.512 5.659 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.167 -7.861 3.848 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.355 -8.598 5.215 1.00 0.00 H new ATOM 0 HG SER A 26 -4.183 -7.881 6.154 1.00 0.00 H new ATOM 427 N LEU A 27 -0.650 -6.865 2.432 1.00 0.00 N ATOM 428 CA LEU A 27 0.305 -7.255 1.392 1.00 0.00 C ATOM 429 C LEU A 27 1.574 -6.402 1.474 1.00 0.00 C ATOM 430 O LEU A 27 2.683 -6.930 1.392 1.00 0.00 O ATOM 431 CB LEU A 27 -0.288 -7.093 -0.020 1.00 0.00 C ATOM 432 CG LEU A 27 -1.780 -7.368 -0.227 1.00 0.00 C ATOM 433 CD1 LEU A 27 -2.144 -6.890 -1.617 1.00 0.00 C ATOM 434 CD2 LEU A 27 -2.172 -8.826 -0.019 1.00 0.00 C ATOM 0 H LEU A 27 -1.433 -6.318 2.073 1.00 0.00 H new ATOM 0 HA LEU A 27 0.541 -8.305 1.565 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.092 -6.071 -0.346 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.265 -7.752 -0.689 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.341 -6.825 0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.203 -7.071 -1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.939 -5.823 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.552 -7.432 -2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.243 -8.942 -0.183 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.627 -9.453 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.926 -9.127 0.999 1.00 0.00 H new ATOM 446 N LEU A 28 1.414 -5.081 1.633 1.00 0.00 N ATOM 447 CA LEU A 28 2.547 -4.157 1.734 1.00 0.00 C ATOM 448 C LEU A 28 3.366 -4.484 2.989 1.00 0.00 C ATOM 449 O LEU A 28 4.584 -4.585 2.921 1.00 0.00 O ATOM 450 CB LEU A 28 2.080 -2.694 1.746 1.00 0.00 C ATOM 451 CG LEU A 28 3.274 -1.722 1.591 1.00 0.00 C ATOM 452 CD1 LEU A 28 3.788 -1.699 0.148 1.00 0.00 C ATOM 453 CD2 LEU A 28 2.845 -0.324 2.027 1.00 0.00 C ATOM 0 H LEU A 28 0.502 -4.628 1.695 1.00 0.00 H new ATOM 0 HA LEU A 28 3.178 -4.284 0.854 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.368 -2.531 0.937 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.556 -2.485 2.679 1.00 0.00 H new ATOM 0 HG LEU A 28 4.091 -2.067 2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.627 -1.007 0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.115 -2.699 -0.138 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.988 -1.375 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.684 0.364 1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.017 0.013 1.404 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.528 -0.349 3.070 1.00 0.00 H new ATOM 465 N GLU A 29 2.691 -4.708 4.118 1.00 0.00 N ATOM 466 CA GLU A 29 3.276 -5.121 5.397 1.00 0.00 C ATOM 467 C GLU A 29 4.095 -6.420 5.261 1.00 0.00 C ATOM 468 O GLU A 29 5.223 -6.507 5.748 1.00 0.00 O ATOM 469 CB GLU A 29 2.147 -5.242 6.430 1.00 0.00 C ATOM 470 CG GLU A 29 2.655 -5.388 7.868 1.00 0.00 C ATOM 471 CD GLU A 29 1.475 -5.361 8.861 1.00 0.00 C ATOM 472 OE1 GLU A 29 0.768 -4.327 8.944 1.00 0.00 O ATOM 473 OE2 GLU A 29 1.250 -6.375 9.566 1.00 0.00 O ATOM 0 H GLU A 29 1.678 -4.602 4.169 1.00 0.00 H new ATOM 0 HA GLU A 29 3.987 -4.367 5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.509 -4.361 6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.527 -6.104 6.182 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.205 -6.323 7.973 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.351 -4.581 8.098 1.00 0.00 H new ATOM 480 N GLN A 30 3.583 -7.407 4.522 1.00 0.00 N ATOM 481 CA GLN A 30 4.345 -8.617 4.192 1.00 0.00 C ATOM 482 C GLN A 30 5.633 -8.277 3.421 1.00 0.00 C ATOM 483 O GLN A 30 6.728 -8.685 3.807 1.00 0.00 O ATOM 484 CB GLN A 30 3.461 -9.584 3.388 1.00 0.00 C ATOM 485 CG GLN A 30 4.043 -11.004 3.355 1.00 0.00 C ATOM 486 CD GLN A 30 3.157 -11.957 2.554 1.00 0.00 C ATOM 487 OE1 GLN A 30 2.164 -12.488 3.041 1.00 0.00 O ATOM 488 NE2 GLN A 30 3.475 -12.218 1.302 1.00 0.00 N ATOM 0 H GLN A 30 2.638 -7.393 4.138 1.00 0.00 H new ATOM 0 HA GLN A 30 4.644 -9.101 5.121 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.463 -9.611 3.825 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.352 -9.213 2.369 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.041 -10.979 2.917 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.152 -11.377 4.373 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.298 -11.784 0.884 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.898 -12.854 0.751 1.00 0.00 H new ATOM 497 N TYR A 31 5.502 -7.497 2.345 1.00 0.00 N ATOM 498 CA TYR A 31 6.576 -7.175 1.400 1.00 0.00 C ATOM 499 C TYR A 31 7.669 -6.302 2.037 1.00 0.00 C ATOM 500 O TYR A 31 8.866 -6.455 1.767 1.00 0.00 O ATOM 501 CB TYR A 31 5.933 -6.495 0.183 1.00 0.00 C ATOM 502 CG TYR A 31 6.864 -6.232 -0.984 1.00 0.00 C ATOM 503 CD1 TYR A 31 7.507 -7.301 -1.635 1.00 0.00 C ATOM 504 CD2 TYR A 31 7.062 -4.920 -1.446 1.00 0.00 C ATOM 505 CE1 TYR A 31 8.317 -7.063 -2.766 1.00 0.00 C ATOM 506 CE2 TYR A 31 7.917 -4.684 -2.536 1.00 0.00 C ATOM 507 CZ TYR A 31 8.540 -5.746 -3.209 1.00 0.00 C ATOM 508 OH TYR A 31 9.352 -5.491 -4.271 1.00 0.00 O ATOM 0 H TYR A 31 4.615 -7.057 2.099 1.00 0.00 H new ATOM 0 HA TYR A 31 7.084 -8.089 1.093 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.108 -7.117 -0.165 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.503 -5.546 0.504 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.380 -8.309 -1.267 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.558 -4.095 -0.965 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.766 -7.892 -3.292 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.097 -3.670 -2.861 1.00 0.00 H new ATOM 0 HH TYR A 31 9.386 -4.525 -4.433 1.00 0.00 H new ATOM 518 N VAL A 32 7.267 -5.417 2.947 1.00 0.00 N ATOM 519 CA VAL A 32 8.153 -4.457 3.612 1.00 0.00 C ATOM 520 C VAL A 32 8.898 -5.065 4.820 1.00 0.00 C ATOM 521 O VAL A 32 9.934 -4.569 5.254 1.00 0.00 O ATOM 522 CB VAL A 32 7.346 -3.189 3.964 1.00 0.00 C ATOM 523 CG1 VAL A 32 6.554 -3.325 5.269 1.00 0.00 C ATOM 524 CG2 VAL A 32 8.194 -1.931 4.106 1.00 0.00 C ATOM 0 H VAL A 32 6.296 -5.344 3.251 1.00 0.00 H new ATOM 0 HA VAL A 32 8.950 -4.176 2.924 1.00 0.00 H new ATOM 0 HB VAL A 32 6.676 -3.088 3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.008 -2.401 5.461 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.849 -4.152 5.182 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.241 -3.519 6.093 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.552 -1.086 4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.928 -2.074 4.899 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.710 -1.732 3.167 1.00 0.00 H new ATOM 534 N LYS A 33 8.399 -6.186 5.342 1.00 0.00 N ATOM 535 CA LYS A 33 9.089 -7.045 6.333 1.00 0.00 C ATOM 536 C LYS A 33 10.015 -8.056 5.647 1.00 0.00 C ATOM 537 O LYS A 33 10.975 -8.543 6.244 1.00 0.00 O ATOM 538 CB LYS A 33 8.055 -7.784 7.196 1.00 0.00 C ATOM 539 CG LYS A 33 7.339 -6.782 8.106 1.00 0.00 C ATOM 540 CD LYS A 33 6.156 -7.394 8.873 1.00 0.00 C ATOM 541 CE LYS A 33 6.615 -8.438 9.900 1.00 0.00 C ATOM 542 NZ LYS A 33 5.469 -8.991 10.667 1.00 0.00 N ATOM 0 H LYS A 33 7.477 -6.541 5.086 1.00 0.00 H new ATOM 0 HA LYS A 33 9.701 -6.403 6.967 1.00 0.00 H new ATOM 0 HB2 LYS A 33 7.332 -8.294 6.559 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.547 -8.549 7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.055 -6.375 8.820 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.980 -5.947 7.504 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.605 -6.603 9.382 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.467 -7.858 8.167 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.136 -9.248 9.389 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.328 -7.984 10.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.816 -9.693 11.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.987 -8.222 11.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 4.801 -9.446 10.013 1.00 0.00 H new ATOM 556 N ASP A 34 9.725 -8.339 4.381 1.00 0.00 N ATOM 557 CA ASP A 34 10.488 -9.220 3.483 1.00 0.00 C ATOM 558 C ASP A 34 11.798 -8.563 3.026 1.00 0.00 C ATOM 559 O ASP A 34 12.886 -9.104 3.230 1.00 0.00 O ATOM 560 CB ASP A 34 9.643 -9.582 2.245 1.00 0.00 C ATOM 561 CG ASP A 34 9.340 -11.087 2.151 1.00 0.00 C ATOM 562 OD1 ASP A 34 10.298 -11.896 2.140 1.00 0.00 O ATOM 563 OD2 ASP A 34 8.150 -11.472 2.062 1.00 0.00 O ATOM 0 H ASP A 34 8.906 -7.941 3.922 1.00 0.00 H new ATOM 0 HA ASP A 34 10.731 -10.123 4.042 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.705 -9.028 2.276 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.170 -9.265 1.345 1.00 0.00 H new ATOM 568 N THR A 35 11.677 -7.385 2.401 1.00 0.00 N ATOM 569 CA THR A 35 12.795 -6.615 1.820 1.00 0.00 C ATOM 570 C THR A 35 12.744 -5.140 2.198 1.00 0.00 C ATOM 571 O THR A 35 13.760 -4.446 2.140 1.00 0.00 O ATOM 572 CB THR A 35 12.795 -6.691 0.283 1.00 0.00 C ATOM 573 OG1 THR A 35 11.587 -6.166 -0.227 1.00 0.00 O ATOM 574 CG2 THR A 35 12.969 -8.111 -0.259 1.00 0.00 C ATOM 0 H THR A 35 10.775 -6.924 2.280 1.00 0.00 H new ATOM 0 HA THR A 35 13.698 -7.069 2.228 1.00 0.00 H new ATOM 0 HB THR A 35 13.653 -6.104 -0.045 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.596 -6.217 -1.206 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.959 -8.088 -1.349 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.919 -8.519 0.087 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.153 -8.739 0.098 1.00 0.00 H new ATOM 582 N GLY A 36 11.561 -4.651 2.582 1.00 0.00 N ATOM 583 CA GLY A 36 11.290 -3.235 2.798 1.00 0.00 C ATOM 584 C GLY A 36 10.909 -2.488 1.517 1.00 0.00 C ATOM 585 O GLY A 36 10.437 -1.362 1.591 1.00 0.00 O ATOM 0 H GLY A 36 10.750 -5.246 2.754 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.483 -3.133 3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.172 -2.766 3.235 1.00 0.00 H new ATOM 589 N ASN A 37 11.089 -3.078 0.340 1.00 0.00 N ATOM 590 CA ASN A 37 10.954 -2.372 -0.932 1.00 0.00 C ATOM 591 C ASN A 37 9.524 -1.862 -1.210 1.00 0.00 C ATOM 592 O ASN A 37 8.534 -2.382 -0.696 1.00 0.00 O ATOM 593 CB ASN A 37 11.401 -3.347 -2.035 1.00 0.00 C ATOM 594 CG ASN A 37 12.889 -3.673 -2.023 1.00 0.00 C ATOM 595 OD1 ASN A 37 13.703 -3.071 -1.334 1.00 0.00 O ATOM 596 ND2 ASN A 37 13.294 -4.648 -2.804 1.00 0.00 N ATOM 0 H ASN A 37 11.334 -4.063 0.240 1.00 0.00 H new ATOM 0 HA ASN A 37 11.573 -1.476 -0.902 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.838 -4.275 -1.933 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.143 -2.922 -3.005 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.282 -4.900 -2.834 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.621 -5.153 -3.380 1.00 0.00 H new ATOM 603 N ASP A 38 9.416 -0.831 -2.047 1.00 0.00 N ATOM 604 CA ASP A 38 8.153 -0.372 -2.640 1.00 0.00 C ATOM 605 C ASP A 38 7.880 -1.270 -3.871 1.00 0.00 C ATOM 606 O ASP A 38 8.778 -1.447 -4.696 1.00 0.00 O ATOM 607 CB ASP A 38 8.268 1.097 -3.057 1.00 0.00 C ATOM 608 CG ASP A 38 8.179 2.029 -1.846 1.00 0.00 C ATOM 609 OD1 ASP A 38 7.094 2.105 -1.222 1.00 0.00 O ATOM 610 OD2 ASP A 38 9.175 2.714 -1.535 1.00 0.00 O ATOM 0 H ASP A 38 10.220 -0.277 -2.341 1.00 0.00 H new ATOM 0 HA ASP A 38 7.334 -0.444 -1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.215 1.257 -3.573 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.475 1.339 -3.764 1.00 0.00 H new ATOM 615 N PRO A 39 6.677 -1.844 -4.060 1.00 0.00 N ATOM 616 CA PRO A 39 6.414 -2.892 -5.068 1.00 0.00 C ATOM 617 C PRO A 39 6.545 -2.490 -6.553 1.00 0.00 C ATOM 618 O PRO A 39 6.429 -3.362 -7.418 1.00 0.00 O ATOM 619 CB PRO A 39 5.010 -3.408 -4.736 1.00 0.00 C ATOM 620 CG PRO A 39 4.341 -2.207 -4.076 1.00 0.00 C ATOM 621 CD PRO A 39 5.482 -1.595 -3.270 1.00 0.00 C ATOM 0 HA PRO A 39 7.195 -3.648 -4.993 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.475 -3.724 -5.632 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.045 -4.267 -4.066 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.944 -1.508 -4.812 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.509 -2.506 -3.439 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.327 -0.527 -3.115 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.558 -2.053 -2.284 1.00 0.00 H new ATOM 629 N ILE A 40 6.788 -1.211 -6.873 1.00 0.00 N ATOM 630 CA ILE A 40 6.928 -0.700 -8.253 1.00 0.00 C ATOM 631 C ILE A 40 8.366 -0.235 -8.516 1.00 0.00 C ATOM 632 O ILE A 40 9.001 -0.670 -9.479 1.00 0.00 O ATOM 633 CB ILE A 40 5.896 0.424 -8.530 1.00 0.00 C ATOM 634 CG1 ILE A 40 4.428 -0.041 -8.368 1.00 0.00 C ATOM 635 CG2 ILE A 40 6.093 1.050 -9.922 1.00 0.00 C ATOM 636 CD1 ILE A 40 3.986 -1.179 -9.298 1.00 0.00 C ATOM 0 H ILE A 40 6.896 -0.483 -6.167 1.00 0.00 H new ATOM 0 HA ILE A 40 6.717 -1.513 -8.948 1.00 0.00 H new ATOM 0 HB ILE A 40 6.085 1.181 -7.769 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.279 -0.360 -7.337 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.774 0.815 -8.535 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.351 1.833 -10.077 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.093 1.479 -9.990 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.975 0.282 -10.686 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.943 -1.426 -9.101 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.094 -0.864 -10.336 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.607 -2.057 -9.119 1.00 0.00 H new ATOM 648 N THR A 41 8.889 0.642 -7.655 1.00 0.00 N ATOM 649 CA THR A 41 10.230 1.248 -7.788 1.00 0.00 C ATOM 650 C THR A 41 11.348 0.431 -7.132 1.00 0.00 C ATOM 651 O THR A 41 12.523 0.703 -7.374 1.00 0.00 O ATOM 652 CB THR A 41 10.275 2.663 -7.205 1.00 0.00 C ATOM 653 OG1 THR A 41 9.855 2.586 -5.872 1.00 0.00 O ATOM 654 CG2 THR A 41 9.344 3.638 -7.929 1.00 0.00 C ATOM 0 H THR A 41 8.387 0.962 -6.827 1.00 0.00 H new ATOM 0 HA THR A 41 10.408 1.271 -8.863 1.00 0.00 H new ATOM 0 HB THR A 41 11.294 3.035 -7.312 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.876 2.612 -5.835 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.421 4.623 -7.470 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.631 3.703 -8.979 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.316 3.282 -7.855 1.00 0.00 H new ATOM 662 N ASN A 42 11.001 -0.572 -6.319 1.00 0.00 N ATOM 663 CA ASN A 42 11.860 -1.354 -5.419 1.00 0.00 C ATOM 664 C ASN A 42 12.724 -0.520 -4.449 1.00 0.00 C ATOM 665 O ASN A 42 13.711 -1.014 -3.908 1.00 0.00 O ATOM 666 CB ASN A 42 12.536 -2.539 -6.146 1.00 0.00 C ATOM 667 CG ASN A 42 14.015 -2.398 -6.490 1.00 0.00 C ATOM 668 OD1 ASN A 42 14.823 -3.275 -6.208 1.00 0.00 O ATOM 669 ND2 ASN A 42 14.428 -1.339 -7.150 1.00 0.00 N ATOM 0 H ASN A 42 10.032 -0.885 -6.268 1.00 0.00 H new ATOM 0 HA ASN A 42 11.204 -1.840 -4.697 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.417 -3.427 -5.525 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.991 -2.722 -7.072 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.408 -1.256 -7.420 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.768 -0.600 -7.393 1.00 0.00 H new ATOM 676 N GLU A 43 12.334 0.733 -4.188 1.00 0.00 N ATOM 677 CA GLU A 43 13.028 1.623 -3.247 1.00 0.00 C ATOM 678 C GLU A 43 12.967 1.065 -1.808 1.00 0.00 C ATOM 679 O GLU A 43 11.861 0.824 -1.315 1.00 0.00 O ATOM 680 CB GLU A 43 12.385 3.011 -3.313 1.00 0.00 C ATOM 681 CG GLU A 43 12.680 3.706 -4.648 1.00 0.00 C ATOM 682 CD GLU A 43 13.845 4.705 -4.524 1.00 0.00 C ATOM 683 OE1 GLU A 43 15.016 4.264 -4.424 1.00 0.00 O ATOM 684 OE2 GLU A 43 13.600 5.938 -4.529 1.00 0.00 O ATOM 0 H GLU A 43 11.520 1.163 -4.628 1.00 0.00 H new ATOM 0 HA GLU A 43 14.079 1.691 -3.527 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.307 2.920 -3.180 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.757 3.625 -2.493 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.921 2.957 -5.403 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.787 4.229 -4.991 1.00 0.00 H new ATOM 691 N PRO A 44 14.105 0.816 -1.125 1.00 0.00 N ATOM 692 CA PRO A 44 14.128 0.299 0.245 1.00 0.00 C ATOM 693 C PRO A 44 13.321 1.143 1.251 1.00 0.00 C ATOM 694 O PRO A 44 13.521 2.356 1.360 1.00 0.00 O ATOM 695 CB PRO A 44 15.608 0.235 0.643 1.00 0.00 C ATOM 696 CG PRO A 44 16.322 0.069 -0.694 1.00 0.00 C ATOM 697 CD PRO A 44 15.464 0.907 -1.641 1.00 0.00 C ATOM 0 HA PRO A 44 13.644 -0.677 0.272 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.926 1.141 1.159 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.809 -0.601 1.313 1.00 0.00 H new ATOM 0 HG2 PRO A 44 17.349 0.431 -0.652 1.00 0.00 H new ATOM 0 HG3 PRO A 44 16.364 -0.975 -1.003 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.805 1.942 -1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.522 0.528 -2.661 1.00 0.00 H new ATOM 705 N LEU A 45 12.466 0.456 2.020 1.00 0.00 N ATOM 706 CA LEU A 45 11.527 0.951 3.046 1.00 0.00 C ATOM 707 C LEU A 45 10.317 1.702 2.453 1.00 0.00 C ATOM 708 O LEU A 45 10.443 2.589 1.609 1.00 0.00 O ATOM 709 CB LEU A 45 12.239 1.668 4.209 1.00 0.00 C ATOM 710 CG LEU A 45 13.046 0.684 5.081 1.00 0.00 C ATOM 711 CD1 LEU A 45 14.107 1.434 5.883 1.00 0.00 C ATOM 712 CD2 LEU A 45 12.152 -0.070 6.070 1.00 0.00 C ATOM 0 H LEU A 45 12.405 -0.559 1.934 1.00 0.00 H new ATOM 0 HA LEU A 45 11.080 0.071 3.509 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.906 2.432 3.811 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.501 2.180 4.827 1.00 0.00 H new ATOM 0 HG LEU A 45 13.509 -0.031 4.401 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.669 0.727 6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 45 14.787 1.944 5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.624 2.167 6.529 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.761 -0.752 6.664 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.657 0.643 6.730 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.401 -0.638 5.521 1.00 0.00 H new ATOM 724 N SER A 46 9.125 1.343 2.945 1.00 0.00 N ATOM 725 CA SER A 46 7.801 1.718 2.426 1.00 0.00 C ATOM 726 C SER A 46 6.884 2.187 3.548 1.00 0.00 C ATOM 727 O SER A 46 6.274 3.247 3.476 1.00 0.00 O ATOM 728 CB SER A 46 7.164 0.518 1.721 1.00 0.00 C ATOM 729 OG SER A 46 6.105 0.938 0.894 1.00 0.00 O ATOM 0 H SER A 46 9.053 0.745 3.768 1.00 0.00 H new ATOM 0 HA SER A 46 7.933 2.538 1.720 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.914 -0.002 1.125 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.796 -0.193 2.461 1.00 0.00 H new ATOM 0 HG SER A 46 6.463 1.248 0.036 1.00 0.00 H new ATOM 735 N ILE A 47 6.860 1.418 4.637 1.00 0.00 N ATOM 736 CA ILE A 47 6.207 1.723 5.916 1.00 0.00 C ATOM 737 C ILE A 47 6.665 3.033 6.562 1.00 0.00 C ATOM 738 O ILE A 47 5.855 3.777 7.109 1.00 0.00 O ATOM 739 CB ILE A 47 6.348 0.501 6.856 1.00 0.00 C ATOM 740 CG1 ILE A 47 5.398 0.531 8.068 1.00 0.00 C ATOM 741 CG2 ILE A 47 7.791 0.300 7.350 1.00 0.00 C ATOM 742 CD1 ILE A 47 3.941 0.345 7.641 1.00 0.00 C ATOM 0 H ILE A 47 7.323 0.510 4.653 1.00 0.00 H new ATOM 0 HA ILE A 47 5.150 1.902 5.716 1.00 0.00 H new ATOM 0 HB ILE A 47 6.061 -0.345 6.231 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.676 -0.255 8.770 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.506 1.480 8.593 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.833 -0.570 8.005 1.00 0.00 H new ATOM 0 HG22 ILE A 47 8.450 0.143 6.496 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.114 1.184 7.899 1.00 0.00 H new ATOM 0 HD11 ILE A 47 3.298 0.371 8.521 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.656 1.147 6.959 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.829 -0.616 7.138 1.00 0.00 H new ATOM 754 N GLU A 48 7.936 3.382 6.383 1.00 0.00 N ATOM 755 CA GLU A 48 8.528 4.670 6.755 1.00 0.00 C ATOM 756 C GLU A 48 7.971 5.830 5.907 1.00 0.00 C ATOM 757 O GLU A 48 8.245 6.996 6.193 1.00 0.00 O ATOM 758 CB GLU A 48 10.058 4.594 6.614 1.00 0.00 C ATOM 759 CG GLU A 48 10.728 3.586 7.564 1.00 0.00 C ATOM 760 CD GLU A 48 10.597 4.001 9.043 1.00 0.00 C ATOM 761 OE1 GLU A 48 11.395 4.849 9.512 1.00 0.00 O ATOM 762 OE2 GLU A 48 9.705 3.478 9.752 1.00 0.00 O ATOM 0 H GLU A 48 8.613 2.750 5.957 1.00 0.00 H new ATOM 0 HA GLU A 48 8.263 4.873 7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.304 4.327 5.586 1.00 0.00 H new ATOM 0 HB3 GLU A 48 10.478 5.583 6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.278 2.603 7.423 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.783 3.493 7.307 1.00 0.00 H new ATOM 769 N GLU A 49 7.176 5.516 4.878 1.00 0.00 N ATOM 770 CA GLU A 49 6.566 6.481 3.950 1.00 0.00 C ATOM 771 C GLU A 49 5.055 6.262 3.743 1.00 0.00 C ATOM 772 O GLU A 49 4.432 6.912 2.904 1.00 0.00 O ATOM 773 CB GLU A 49 7.353 6.454 2.619 1.00 0.00 C ATOM 774 CG GLU A 49 7.366 7.794 1.866 1.00 0.00 C ATOM 775 CD GLU A 49 8.278 8.832 2.550 1.00 0.00 C ATOM 776 OE1 GLU A 49 9.515 8.788 2.334 1.00 0.00 O ATOM 777 OE2 GLU A 49 7.767 9.709 3.288 1.00 0.00 O ATOM 0 H GLU A 49 6.930 4.551 4.659 1.00 0.00 H new ATOM 0 HA GLU A 49 6.636 7.474 4.394 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.381 6.156 2.824 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.923 5.690 1.971 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.705 7.632 0.843 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.351 8.186 1.807 1.00 0.00 H new ATOM 784 N ILE A 50 4.450 5.343 4.506 1.00 0.00 N ATOM 785 CA ILE A 50 3.072 4.887 4.304 1.00 0.00 C ATOM 786 C ILE A 50 2.029 6.008 4.413 1.00 0.00 C ATOM 787 O ILE A 50 2.066 6.870 5.295 1.00 0.00 O ATOM 788 CB ILE A 50 2.739 3.702 5.233 1.00 0.00 C ATOM 789 CG1 ILE A 50 1.484 2.956 4.740 1.00 0.00 C ATOM 790 CG2 ILE A 50 2.593 4.123 6.709 1.00 0.00 C ATOM 791 CD1 ILE A 50 1.366 1.550 5.337 1.00 0.00 C ATOM 0 H ILE A 50 4.913 4.889 5.293 1.00 0.00 H new ATOM 0 HA ILE A 50 3.015 4.540 3.272 1.00 0.00 H new ATOM 0 HB ILE A 50 3.588 3.020 5.190 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.597 3.533 5.000 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.511 2.885 3.653 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.359 3.248 7.315 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.527 4.565 7.055 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.790 4.854 6.801 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.465 1.068 4.957 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.239 0.961 5.056 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.310 1.620 6.423 1.00 0.00 H new ATOM 803 N VAL A 51 1.062 5.940 3.505 1.00 0.00 N ATOM 804 CA VAL A 51 -0.178 6.727 3.470 1.00 0.00 C ATOM 805 C VAL A 51 -1.360 5.759 3.508 1.00 0.00 C ATOM 806 O VAL A 51 -1.824 5.283 2.473 1.00 0.00 O ATOM 807 CB VAL A 51 -0.217 7.665 2.241 1.00 0.00 C ATOM 808 CG1 VAL A 51 -1.494 8.517 2.210 1.00 0.00 C ATOM 809 CG2 VAL A 51 0.974 8.631 2.232 1.00 0.00 C ATOM 0 H VAL A 51 1.122 5.292 2.719 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.231 7.383 4.339 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.183 7.010 1.370 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.480 9.161 1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.366 7.864 2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.543 9.131 3.109 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.914 9.275 1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.953 9.243 3.133 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.903 8.062 2.202 1.00 0.00 H new ATOM 819 N GLU A 52 -1.830 5.391 4.702 1.00 0.00 N ATOM 820 CA GLU A 52 -3.033 4.557 4.813 1.00 0.00 C ATOM 821 C GLU A 52 -4.311 5.362 4.510 1.00 0.00 C ATOM 822 O GLU A 52 -4.462 6.508 4.948 1.00 0.00 O ATOM 823 CB GLU A 52 -3.182 3.899 6.193 1.00 0.00 C ATOM 824 CG GLU A 52 -1.967 3.147 6.755 1.00 0.00 C ATOM 825 CD GLU A 52 -2.331 2.392 8.055 1.00 0.00 C ATOM 826 OE1 GLU A 52 -3.456 1.835 8.158 1.00 0.00 O ATOM 827 OE2 GLU A 52 -1.489 2.339 8.983 1.00 0.00 O ATOM 0 H GLU A 52 -1.406 5.651 5.593 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.906 3.770 4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.457 4.675 6.907 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.017 3.200 6.144 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -1.597 2.440 6.012 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.160 3.852 6.954 1.00 0.00 H new ATOM 834 N ILE A 53 -5.253 4.740 3.798 1.00 0.00 N ATOM 835 CA ILE A 53 -6.622 5.231 3.573 1.00 0.00 C ATOM 836 C ILE A 53 -7.586 4.482 4.522 1.00 0.00 C ATOM 837 O ILE A 53 -7.322 3.351 4.947 1.00 0.00 O ATOM 838 CB ILE A 53 -7.002 5.086 2.073 1.00 0.00 C ATOM 839 CG1 ILE A 53 -6.003 5.815 1.133 1.00 0.00 C ATOM 840 CG2 ILE A 53 -8.413 5.631 1.781 1.00 0.00 C ATOM 841 CD1 ILE A 53 -4.890 4.916 0.579 1.00 0.00 C ATOM 0 H ILE A 53 -5.080 3.844 3.342 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.695 6.294 3.804 1.00 0.00 H new ATOM 0 HB ILE A 53 -6.969 4.015 1.874 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.556 6.246 0.298 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.549 6.643 1.676 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.638 5.510 0.721 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.145 5.081 2.372 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.456 6.688 2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.237 5.502 -0.067 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.310 4.505 1.405 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.332 4.101 0.005 1.00 0.00 H new