USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 390 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 26 HIS HD1 : A 26 HIS ND1 : A 52 ZNZN :(H bumps) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 1.11 (180deg=1.11) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -159:sc= 1.36 (180deg=0.891) USER MOD Single : A 9 LYS NZ :NH3+ 174:sc= 0.819 (180deg=0.79) USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= 2.07 (180deg=1.95) USER MOD Single : A 22 ASN : amide:sc= 0.404 X(o=0.4,f=-0.00019) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= 0.916 K(o=0.92,f=-1.1) USER MOD Single : A 48 GLN : amide:sc= 0.42 K(o=0.42,f=-4.6!) USER MOD Single : A 51 THR OG1 : rot 29:sc= 0.359 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 5.263 11.248 -6.186 1.00 0.00 N ATOM 2 CA ALA A 1 4.459 10.319 -7.001 1.00 0.00 C ATOM 3 C ALA A 1 4.183 9.028 -6.227 1.00 0.00 C ATOM 4 O ALA A 1 4.693 8.855 -5.121 1.00 0.00 O ATOM 5 CB ALA A 1 5.155 10.032 -8.335 1.00 0.00 C ATOM 0 H1 ALA A 1 5.441 12.119 -6.726 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.746 11.481 -5.314 1.00 0.00 H new ATOM 0 H3 ALA A 1 6.170 10.800 -5.942 1.00 0.00 H new ATOM 0 HA ALA A 1 3.500 10.788 -7.221 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.546 9.345 -8.922 1.00 0.00 H new ATOM 0 HB2 ALA A 1 5.284 10.964 -8.886 1.00 0.00 H new ATOM 0 HB3 ALA A 1 6.130 9.583 -8.147 1.00 0.00 H new ATOM 13 N ARG A 2 3.366 8.133 -6.793 1.00 0.00 N ATOM 14 CA ARG A 2 2.923 6.931 -6.101 1.00 0.00 C ATOM 15 C ARG A 2 4.066 5.922 -6.023 1.00 0.00 C ATOM 16 O ARG A 2 4.453 5.334 -7.032 1.00 0.00 O ATOM 17 CB ARG A 2 1.677 6.344 -6.776 1.00 0.00 C ATOM 18 CG ARG A 2 1.168 5.122 -5.996 1.00 0.00 C ATOM 19 CD ARG A 2 -0.158 4.599 -6.558 1.00 0.00 C ATOM 20 NE ARG A 2 -1.256 5.561 -6.380 1.00 0.00 N ATOM 21 CZ ARG A 2 -1.937 5.769 -5.239 1.00 0.00 C ATOM 22 NH1 ARG A 2 -1.628 5.100 -4.120 1.00 0.00 N ATOM 23 NH2 ARG A 2 -2.937 6.659 -5.221 1.00 0.00 N ATOM 0 H ARG A 2 2.998 8.226 -7.740 1.00 0.00 H new ATOM 0 HA ARG A 2 2.639 7.188 -5.081 1.00 0.00 H new ATOM 0 HB2 ARG A 2 0.894 7.101 -6.829 1.00 0.00 H new ATOM 0 HB3 ARG A 2 1.913 6.057 -7.801 1.00 0.00 H new ATOM 0 HG2 ARG A 2 1.916 4.330 -6.033 1.00 0.00 H new ATOM 0 HG3 ARG A 2 1.038 5.389 -4.947 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -0.039 4.379 -7.619 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -0.415 3.662 -6.065 1.00 0.00 H new ATOM 0 HE ARG A 2 -1.524 6.118 -7.191 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -0.867 4.421 -4.125 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -2.154 5.269 -3.263 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -3.177 7.173 -6.068 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -3.459 6.823 -4.360 1.00 0.00 H new ATOM 37 N CYS A 3 4.597 5.725 -4.813 1.00 0.00 N ATOM 38 CA CYS A 3 5.532 4.657 -4.506 1.00 0.00 C ATOM 39 C CYS A 3 4.805 3.314 -4.516 1.00 0.00 C ATOM 40 O CYS A 3 3.645 3.238 -4.116 1.00 0.00 O ATOM 41 CB CYS A 3 6.139 4.928 -3.134 1.00 0.00 C ATOM 42 SG CYS A 3 7.209 3.622 -2.486 1.00 0.00 S ATOM 0 H CYS A 3 4.381 6.317 -4.011 1.00 0.00 H new ATOM 0 HA CYS A 3 6.324 4.620 -5.254 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.714 5.853 -3.186 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.329 5.096 -2.424 1.00 0.00 H new ATOM 47 N LYS A 4 5.497 2.258 -4.959 1.00 0.00 N ATOM 48 CA LYS A 4 4.987 0.896 -4.981 1.00 0.00 C ATOM 49 C LYS A 4 4.828 0.381 -3.548 1.00 0.00 C ATOM 50 O LYS A 4 3.743 -0.048 -3.163 1.00 0.00 O ATOM 51 CB LYS A 4 5.929 0.028 -5.834 1.00 0.00 C ATOM 52 CG LYS A 4 5.309 -1.269 -6.382 1.00 0.00 C ATOM 53 CD LYS A 4 4.914 -2.335 -5.350 1.00 0.00 C ATOM 54 CE LYS A 4 6.097 -2.823 -4.504 1.00 0.00 C ATOM 55 NZ LYS A 4 5.673 -3.841 -3.527 1.00 0.00 N ATOM 0 H LYS A 4 6.448 2.336 -5.319 1.00 0.00 H new ATOM 0 HA LYS A 4 3.998 0.855 -5.438 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.285 0.624 -6.674 1.00 0.00 H new ATOM 0 HB3 LYS A 4 6.801 -0.231 -5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.420 -1.005 -6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.017 -1.717 -7.079 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.148 -1.927 -4.691 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.470 -3.186 -5.867 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.866 -3.239 -5.155 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.546 -1.978 -3.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 6.495 -4.151 -2.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.957 -3.435 -2.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.267 -4.656 -4.029 1.00 0.00 H new ATOM 69 N VAL A 5 5.914 0.449 -2.770 1.00 0.00 N ATOM 70 CA VAL A 5 6.056 -0.172 -1.455 1.00 0.00 C ATOM 71 C VAL A 5 4.900 0.218 -0.533 1.00 0.00 C ATOM 72 O VAL A 5 4.080 -0.628 -0.182 1.00 0.00 O ATOM 73 CB VAL A 5 7.417 0.190 -0.836 1.00 0.00 C ATOM 74 CG1 VAL A 5 7.595 -0.430 0.556 1.00 0.00 C ATOM 75 CG2 VAL A 5 8.570 -0.284 -1.724 1.00 0.00 C ATOM 0 H VAL A 5 6.750 0.960 -3.054 1.00 0.00 H new ATOM 0 HA VAL A 5 6.019 -1.254 -1.580 1.00 0.00 H new ATOM 0 HB VAL A 5 7.435 1.276 -0.750 1.00 0.00 H new ATOM 0 HG11 VAL A 5 8.569 -0.150 0.957 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.811 -0.066 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.532 -1.516 0.482 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.520 -0.015 -1.262 1.00 0.00 H new ATOM 0 HG22 VAL A 5 8.518 -1.366 -1.841 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.495 0.191 -2.702 1.00 0.00 H new ATOM 85 N CYS A 6 4.844 1.498 -0.147 1.00 0.00 N ATOM 86 CA CYS A 6 3.789 2.018 0.711 1.00 0.00 C ATOM 87 C CYS A 6 2.482 2.268 -0.050 1.00 0.00 C ATOM 88 O CYS A 6 1.470 2.550 0.590 1.00 0.00 O ATOM 89 CB CYS A 6 4.274 3.264 1.465 1.00 0.00 C ATOM 90 SG CYS A 6 4.966 4.618 0.476 1.00 0.00 S ATOM 0 H CYS A 6 5.532 2.198 -0.424 1.00 0.00 H new ATOM 0 HA CYS A 6 3.556 1.251 1.449 1.00 0.00 H new ATOM 0 HB2 CYS A 6 3.435 3.659 2.038 1.00 0.00 H new ATOM 0 HB3 CYS A 6 5.031 2.950 2.184 1.00 0.00 H new ATOM 95 N ARG A 7 2.480 2.146 -1.389 1.00 0.00 N ATOM 96 CA ARG A 7 1.283 2.235 -2.221 1.00 0.00 C ATOM 97 C ARG A 7 0.590 3.576 -1.964 1.00 0.00 C ATOM 98 O ARG A 7 -0.607 3.630 -1.687 1.00 0.00 O ATOM 99 CB ARG A 7 0.390 1.009 -1.965 1.00 0.00 C ATOM 100 CG ARG A 7 -0.661 0.812 -3.067 1.00 0.00 C ATOM 101 CD ARG A 7 -1.468 -0.468 -2.828 1.00 0.00 C ATOM 102 NE ARG A 7 -2.233 -0.396 -1.575 1.00 0.00 N ATOM 103 CZ ARG A 7 -2.894 -1.423 -1.014 1.00 0.00 C ATOM 104 NH1 ARG A 7 -2.919 -2.627 -1.604 1.00 0.00 N ATOM 105 NH2 ARG A 7 -3.536 -1.240 0.147 1.00 0.00 N ATOM 0 H ARG A 7 3.331 1.980 -1.927 1.00 0.00 H new ATOM 0 HA ARG A 7 1.534 2.214 -3.282 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.013 0.117 -1.896 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.112 1.122 -1.004 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -1.332 1.671 -3.093 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -0.170 0.761 -4.039 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -2.150 -0.631 -3.663 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -0.794 -1.324 -2.795 1.00 0.00 H new ATOM 0 HE ARG A 7 -2.265 0.503 -1.094 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -2.433 -2.772 -2.489 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -3.424 -3.398 -1.168 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -3.521 -0.326 0.599 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -4.040 -2.015 0.579 1.00 0.00 H new ATOM 119 N LYS A 8 1.363 4.665 -2.056 1.00 0.00 N ATOM 120 CA LYS A 8 0.941 5.986 -1.616 1.00 0.00 C ATOM 121 C LYS A 8 1.804 7.054 -2.292 1.00 0.00 C ATOM 122 O LYS A 8 2.992 6.830 -2.521 1.00 0.00 O ATOM 123 CB LYS A 8 1.105 6.036 -0.089 1.00 0.00 C ATOM 124 CG LYS A 8 0.501 7.291 0.552 1.00 0.00 C ATOM 125 CD LYS A 8 0.772 7.355 2.061 1.00 0.00 C ATOM 126 CE LYS A 8 2.274 7.421 2.380 1.00 0.00 C ATOM 127 NZ LYS A 8 2.519 7.868 3.761 1.00 0.00 N ATOM 0 H LYS A 8 2.307 4.646 -2.443 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.097 6.178 -1.886 1.00 0.00 H new ATOM 0 HB2 LYS A 8 0.637 5.154 0.347 1.00 0.00 H new ATOM 0 HB3 LYS A 8 2.166 5.988 0.156 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.915 8.178 0.072 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.575 7.306 0.376 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.275 8.229 2.481 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.338 6.479 2.544 1.00 0.00 H new ATOM 0 HE2 LYS A 8 2.721 6.438 2.231 1.00 0.00 H new ATOM 0 HE3 LYS A 8 2.764 8.103 1.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.488 8.239 3.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.841 8.616 4.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.402 7.065 4.412 1.00 0.00 H new ATOM 141 N LYS A 9 1.195 8.206 -2.607 1.00 0.00 N ATOM 142 CA LYS A 9 1.891 9.409 -3.050 1.00 0.00 C ATOM 143 C LYS A 9 1.881 10.458 -1.931 1.00 0.00 C ATOM 144 O LYS A 9 1.363 11.559 -2.104 1.00 0.00 O ATOM 145 CB LYS A 9 1.272 9.937 -4.355 1.00 0.00 C ATOM 146 CG LYS A 9 -0.243 10.197 -4.271 1.00 0.00 C ATOM 147 CD LYS A 9 -0.749 11.122 -5.390 1.00 0.00 C ATOM 148 CE LYS A 9 -0.051 12.492 -5.459 1.00 0.00 C ATOM 149 NZ LYS A 9 0.095 13.130 -4.137 1.00 0.00 N ATOM 0 H LYS A 9 0.183 8.324 -2.558 1.00 0.00 H new ATOM 0 HA LYS A 9 2.932 9.171 -3.267 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.774 10.863 -4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.463 9.218 -5.152 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.774 9.247 -4.323 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.478 10.641 -3.304 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -0.620 10.616 -6.347 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.819 11.281 -5.255 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.934 12.370 -5.908 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -0.620 13.151 -6.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 0.660 13.998 -4.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.845 13.367 -3.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.573 12.475 -3.486 1.00 0.00 H new ATOM 163 N GLY A 10 2.454 10.109 -0.775 1.00 0.00 N ATOM 164 CA GLY A 10 2.455 10.973 0.395 1.00 0.00 C ATOM 165 C GLY A 10 3.684 11.867 0.349 1.00 0.00 C ATOM 166 O GLY A 10 3.573 13.075 0.153 1.00 0.00 O ATOM 0 H GLY A 10 2.929 9.218 -0.631 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.549 11.579 0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.459 10.374 1.306 1.00 0.00 H new ATOM 170 N GLU A 11 4.857 11.250 0.523 1.00 0.00 N ATOM 171 CA GLU A 11 6.118 11.945 0.702 1.00 0.00 C ATOM 172 C GLU A 11 6.696 12.264 -0.679 1.00 0.00 C ATOM 173 O GLU A 11 7.708 11.691 -1.077 1.00 0.00 O ATOM 174 CB GLU A 11 7.078 11.101 1.558 1.00 0.00 C ATOM 175 CG GLU A 11 6.493 10.637 2.903 1.00 0.00 C ATOM 176 CD GLU A 11 5.576 9.413 2.827 1.00 0.00 C ATOM 177 OE1 GLU A 11 5.449 8.825 1.730 1.00 0.00 O ATOM 178 OE2 GLU A 11 4.999 9.080 3.887 1.00 0.00 O ATOM 0 H GLU A 11 4.949 10.234 0.542 1.00 0.00 H new ATOM 0 HA GLU A 11 5.966 12.882 1.238 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.379 10.224 0.985 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.980 11.682 1.750 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.316 10.413 3.581 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.934 11.463 3.342 1.00 0.00 H new ATOM 185 N ASP A 12 6.038 13.170 -1.413 1.00 0.00 N ATOM 186 CA ASP A 12 6.382 13.513 -2.788 1.00 0.00 C ATOM 187 C ASP A 12 7.584 14.464 -2.799 1.00 0.00 C ATOM 188 O ASP A 12 7.474 15.620 -3.205 1.00 0.00 O ATOM 189 CB ASP A 12 5.157 14.111 -3.501 1.00 0.00 C ATOM 190 CG ASP A 12 3.976 13.148 -3.622 1.00 0.00 C ATOM 191 OD1 ASP A 12 4.222 11.922 -3.674 1.00 0.00 O ATOM 192 OD2 ASP A 12 2.838 13.658 -3.708 1.00 0.00 O ATOM 0 H ASP A 12 5.238 13.692 -1.056 1.00 0.00 H new ATOM 0 HA ASP A 12 6.670 12.615 -3.336 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.833 15.000 -2.960 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.452 14.434 -4.499 1.00 0.00 H new ATOM 197 N ASP A 13 8.736 13.952 -2.352 1.00 0.00 N ATOM 198 CA ASP A 13 9.945 14.708 -2.073 1.00 0.00 C ATOM 199 C ASP A 13 10.873 14.620 -3.285 1.00 0.00 C ATOM 200 O ASP A 13 11.058 15.602 -4.001 1.00 0.00 O ATOM 201 CB ASP A 13 10.579 14.163 -0.783 1.00 0.00 C ATOM 202 CG ASP A 13 11.922 14.801 -0.441 1.00 0.00 C ATOM 203 OD1 ASP A 13 12.098 15.999 -0.754 1.00 0.00 O ATOM 204 OD2 ASP A 13 12.769 14.072 0.120 1.00 0.00 O ATOM 0 H ASP A 13 8.848 12.955 -2.169 1.00 0.00 H new ATOM 0 HA ASP A 13 9.733 15.764 -1.908 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.889 14.323 0.046 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.713 13.086 -0.882 1.00 0.00 H new ATOM 209 N LYS A 14 11.432 13.429 -3.517 1.00 0.00 N ATOM 210 CA LYS A 14 12.346 13.143 -4.615 1.00 0.00 C ATOM 211 C LYS A 14 12.489 11.628 -4.769 1.00 0.00 C ATOM 212 O LYS A 14 13.493 11.053 -4.360 1.00 0.00 O ATOM 213 CB LYS A 14 13.698 13.860 -4.410 1.00 0.00 C ATOM 214 CG LYS A 14 14.337 13.649 -3.027 1.00 0.00 C ATOM 215 CD LYS A 14 15.588 14.519 -2.866 1.00 0.00 C ATOM 216 CE LYS A 14 16.256 14.313 -1.500 1.00 0.00 C ATOM 217 NZ LYS A 14 15.439 14.820 -0.381 1.00 0.00 N ATOM 0 H LYS A 14 11.253 12.617 -2.926 1.00 0.00 H new ATOM 0 HA LYS A 14 11.940 13.535 -5.548 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.396 13.515 -5.173 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.554 14.929 -4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.616 13.894 -2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 14 14.600 12.599 -2.900 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.299 14.282 -3.657 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.318 15.568 -2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.448 13.250 -1.351 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.223 14.815 -1.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.998 14.795 0.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 15.148 15.799 -0.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.594 14.224 -0.270 1.00 0.00 H new ATOM 231 N LEU A 15 11.493 10.968 -5.374 1.00 0.00 N ATOM 232 CA LEU A 15 11.438 9.511 -5.373 1.00 0.00 C ATOM 233 C LEU A 15 12.558 8.931 -6.238 1.00 0.00 C ATOM 234 O LEU A 15 12.976 9.533 -7.227 1.00 0.00 O ATOM 235 CB LEU A 15 10.072 8.995 -5.853 1.00 0.00 C ATOM 236 CG LEU A 15 8.994 9.028 -4.758 1.00 0.00 C ATOM 237 CD1 LEU A 15 8.535 10.450 -4.416 1.00 0.00 C ATOM 238 CD2 LEU A 15 7.795 8.187 -5.202 1.00 0.00 C ATOM 0 H LEU A 15 10.722 11.421 -5.865 1.00 0.00 H new ATOM 0 HA LEU A 15 11.577 9.178 -4.344 1.00 0.00 H new ATOM 0 HB2 LEU A 15 9.740 9.597 -6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 15 10.183 7.972 -6.214 1.00 0.00 H new ATOM 0 HG LEU A 15 9.437 8.614 -3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.774 10.409 -3.637 1.00 0.00 H new ATOM 0 HD12 LEU A 15 9.386 11.032 -4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 15 8.119 10.922 -5.306 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.029 8.208 -4.427 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.387 8.595 -6.127 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.114 7.158 -5.368 1.00 0.00 H new ATOM 250 N ILE A 16 13.041 7.757 -5.823 1.00 0.00 N ATOM 251 CA ILE A 16 14.230 7.094 -6.330 1.00 0.00 C ATOM 252 C ILE A 16 13.795 5.777 -6.976 1.00 0.00 C ATOM 253 O ILE A 16 14.024 4.689 -6.451 1.00 0.00 O ATOM 254 CB ILE A 16 15.268 6.986 -5.192 1.00 0.00 C ATOM 255 CG1 ILE A 16 16.636 6.528 -5.718 1.00 0.00 C ATOM 256 CG2 ILE A 16 14.816 6.132 -3.995 1.00 0.00 C ATOM 257 CD1 ILE A 16 17.736 6.748 -4.673 1.00 0.00 C ATOM 0 H ILE A 16 12.584 7.221 -5.085 1.00 0.00 H new ATOM 0 HA ILE A 16 14.739 7.654 -7.114 1.00 0.00 H new ATOM 0 HB ILE A 16 15.365 7.999 -4.802 1.00 0.00 H new ATOM 0 HG12 ILE A 16 16.591 5.472 -5.985 1.00 0.00 H new ATOM 0 HG13 ILE A 16 16.881 7.076 -6.628 1.00 0.00 H new ATOM 0 HG21 ILE A 16 15.606 6.111 -3.244 1.00 0.00 H new ATOM 0 HG22 ILE A 16 13.914 6.563 -3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 16 14.608 5.116 -4.331 1.00 0.00 H new ATOM 0 HD11 ILE A 16 18.692 6.414 -5.075 1.00 0.00 H new ATOM 0 HD12 ILE A 16 17.797 7.808 -4.426 1.00 0.00 H new ATOM 0 HD13 ILE A 16 17.502 6.179 -3.773 1.00 0.00 H new ATOM 269 N LEU A 17 13.113 5.894 -8.121 1.00 0.00 N ATOM 270 CA LEU A 17 12.507 4.775 -8.818 1.00 0.00 C ATOM 271 C LEU A 17 13.612 3.897 -9.409 1.00 0.00 C ATOM 272 O LEU A 17 14.636 4.414 -9.854 1.00 0.00 O ATOM 273 CB LEU A 17 11.583 5.285 -9.933 1.00 0.00 C ATOM 274 CG LEU A 17 10.381 6.115 -9.439 1.00 0.00 C ATOM 275 CD1 LEU A 17 10.665 7.623 -9.426 1.00 0.00 C ATOM 276 CD2 LEU A 17 9.180 5.865 -10.360 1.00 0.00 C ATOM 0 H LEU A 17 12.969 6.788 -8.590 1.00 0.00 H new ATOM 0 HA LEU A 17 11.911 4.189 -8.118 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.169 5.892 -10.623 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.210 4.430 -10.498 1.00 0.00 H new ATOM 0 HG LEU A 17 10.177 5.799 -8.416 1.00 0.00 H new ATOM 0 HD11 LEU A 17 9.784 8.156 -9.070 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.506 7.829 -8.764 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.907 7.956 -10.435 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.328 6.450 -10.014 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.434 6.161 -11.378 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.923 4.806 -10.344 1.00 0.00 H new ATOM 288 N CYS A 18 13.406 2.574 -9.419 1.00 0.00 N ATOM 289 CA CYS A 18 14.379 1.652 -9.982 1.00 0.00 C ATOM 290 C CYS A 18 14.423 1.802 -11.500 1.00 0.00 C ATOM 291 O CYS A 18 13.458 1.465 -12.182 1.00 0.00 O ATOM 292 CB CYS A 18 14.055 0.214 -9.573 1.00 0.00 C ATOM 293 SG CYS A 18 15.189 -1.012 -10.277 1.00 0.00 S ATOM 0 H CYS A 18 12.571 2.126 -9.041 1.00 0.00 H new ATOM 0 HA CYS A 18 15.366 1.892 -9.588 1.00 0.00 H new ATOM 0 HB2 CYS A 18 14.081 0.139 -8.486 1.00 0.00 H new ATOM 0 HB3 CYS A 18 13.038 -0.023 -9.884 1.00 0.00 H new ATOM 298 N ASP A 19 15.555 2.291 -12.018 1.00 0.00 N ATOM 299 CA ASP A 19 15.809 2.460 -13.442 1.00 0.00 C ATOM 300 C ASP A 19 15.555 1.175 -14.238 1.00 0.00 C ATOM 301 O ASP A 19 14.970 1.230 -15.318 1.00 0.00 O ATOM 302 CB ASP A 19 17.234 2.994 -13.655 1.00 0.00 C ATOM 303 CG ASP A 19 18.288 2.158 -12.932 1.00 0.00 C ATOM 304 OD1 ASP A 19 18.767 1.179 -13.542 1.00 0.00 O ATOM 305 OD2 ASP A 19 18.576 2.501 -11.765 1.00 0.00 O ATOM 0 H ASP A 19 16.339 2.587 -11.436 1.00 0.00 H new ATOM 0 HA ASP A 19 15.100 3.193 -13.828 1.00 0.00 H new ATOM 0 HB2 ASP A 19 17.457 3.009 -14.722 1.00 0.00 H new ATOM 0 HB3 ASP A 19 17.288 4.024 -13.303 1.00 0.00 H new ATOM 310 N GLU A 20 15.971 0.028 -13.693 1.00 0.00 N ATOM 311 CA GLU A 20 15.965 -1.248 -14.392 1.00 0.00 C ATOM 312 C GLU A 20 14.532 -1.711 -14.668 1.00 0.00 C ATOM 313 O GLU A 20 14.125 -1.794 -15.825 1.00 0.00 O ATOM 314 CB GLU A 20 16.756 -2.275 -13.571 1.00 0.00 C ATOM 315 CG GLU A 20 16.869 -3.631 -14.276 1.00 0.00 C ATOM 316 CD GLU A 20 17.640 -4.623 -13.412 1.00 0.00 C ATOM 317 OE1 GLU A 20 18.877 -4.465 -13.330 1.00 0.00 O ATOM 318 OE2 GLU A 20 16.976 -5.515 -12.840 1.00 0.00 O ATOM 0 H GLU A 20 16.326 -0.035 -12.739 1.00 0.00 H new ATOM 0 HA GLU A 20 16.449 -1.138 -15.363 1.00 0.00 H new ATOM 0 HB2 GLU A 20 17.756 -1.887 -13.376 1.00 0.00 H new ATOM 0 HB3 GLU A 20 16.273 -2.412 -12.604 1.00 0.00 H new ATOM 0 HG2 GLU A 20 15.873 -4.021 -14.487 1.00 0.00 H new ATOM 0 HG3 GLU A 20 17.373 -3.508 -15.235 1.00 0.00 H new ATOM 325 N CYS A 21 13.779 -2.020 -13.604 1.00 0.00 N ATOM 326 CA CYS A 21 12.480 -2.682 -13.686 1.00 0.00 C ATOM 327 C CYS A 21 11.308 -1.755 -13.342 1.00 0.00 C ATOM 328 O CYS A 21 10.179 -2.232 -13.231 1.00 0.00 O ATOM 329 CB CYS A 21 12.494 -3.943 -12.811 1.00 0.00 C ATOM 330 SG CYS A 21 12.825 -3.694 -11.047 1.00 0.00 S ATOM 0 H CYS A 21 14.065 -1.811 -12.647 1.00 0.00 H new ATOM 0 HA CYS A 21 12.316 -2.970 -14.724 1.00 0.00 H new ATOM 0 HB2 CYS A 21 11.529 -4.439 -12.911 1.00 0.00 H new ATOM 0 HB3 CYS A 21 13.246 -4.626 -13.207 1.00 0.00 H new ATOM 335 N ASN A 22 11.552 -0.444 -13.191 1.00 0.00 N ATOM 336 CA ASN A 22 10.519 0.582 -13.076 1.00 0.00 C ATOM 337 C ASN A 22 9.569 0.284 -11.908 1.00 0.00 C ATOM 338 O ASN A 22 8.351 0.259 -12.070 1.00 0.00 O ATOM 339 CB ASN A 22 9.813 0.764 -14.430 1.00 0.00 C ATOM 340 CG ASN A 22 9.132 2.128 -14.557 1.00 0.00 C ATOM 341 OD1 ASN A 22 9.654 3.021 -15.219 1.00 0.00 O ATOM 342 ND2 ASN A 22 7.958 2.292 -13.948 1.00 0.00 N ATOM 0 H ASN A 22 12.498 -0.065 -13.145 1.00 0.00 H new ATOM 0 HA ASN A 22 10.976 1.541 -12.832 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.540 0.648 -15.234 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.070 -0.023 -14.557 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.464 3.181 -14.024 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.554 1.528 -13.406 1.00 0.00 H new ATOM 349 N LYS A 23 10.148 0.044 -10.726 1.00 0.00 N ATOM 350 CA LYS A 23 9.439 -0.102 -9.469 1.00 0.00 C ATOM 351 C LYS A 23 9.659 1.161 -8.640 1.00 0.00 C ATOM 352 O LYS A 23 10.802 1.532 -8.368 1.00 0.00 O ATOM 353 CB LYS A 23 9.964 -1.347 -8.749 1.00 0.00 C ATOM 354 CG LYS A 23 9.530 -2.619 -9.490 1.00 0.00 C ATOM 355 CD LYS A 23 9.981 -3.877 -8.741 1.00 0.00 C ATOM 356 CE LYS A 23 9.583 -5.128 -9.532 1.00 0.00 C ATOM 357 NZ LYS A 23 10.049 -6.362 -8.874 1.00 0.00 N ATOM 0 H LYS A 23 11.158 -0.056 -10.625 1.00 0.00 H new ATOM 0 HA LYS A 23 8.368 -0.228 -9.630 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.052 -1.308 -8.688 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.588 -1.369 -7.726 1.00 0.00 H new ATOM 0 HG2 LYS A 23 8.446 -2.627 -9.600 1.00 0.00 H new ATOM 0 HG3 LYS A 23 9.952 -2.620 -10.495 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.061 -3.857 -8.596 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.527 -3.903 -7.750 1.00 0.00 H new ATOM 0 HE2 LYS A 23 8.499 -5.160 -9.640 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.002 -5.071 -10.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 9.761 -7.187 -9.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.086 -6.342 -8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 9.630 -6.429 -7.925 1.00 0.00 H new ATOM 371 N ALA A 24 8.563 1.827 -8.260 1.00 0.00 N ATOM 372 CA ALA A 24 8.603 3.143 -7.644 1.00 0.00 C ATOM 373 C ALA A 24 8.938 3.019 -6.157 1.00 0.00 C ATOM 374 O ALA A 24 8.372 2.174 -5.464 1.00 0.00 O ATOM 375 CB ALA A 24 7.271 3.863 -7.867 1.00 0.00 C ATOM 0 H ALA A 24 7.619 1.458 -8.376 1.00 0.00 H new ATOM 0 HA ALA A 24 9.388 3.739 -8.110 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.308 4.849 -7.403 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.091 3.972 -8.936 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.464 3.282 -7.421 1.00 0.00 H new ATOM 381 N PHE A 25 9.860 3.861 -5.679 1.00 0.00 N ATOM 382 CA PHE A 25 10.465 3.749 -4.360 1.00 0.00 C ATOM 383 C PHE A 25 10.790 5.134 -3.811 1.00 0.00 C ATOM 384 O PHE A 25 11.224 6.005 -4.561 1.00 0.00 O ATOM 385 CB PHE A 25 11.763 2.927 -4.461 1.00 0.00 C ATOM 386 CG PHE A 25 11.635 1.501 -3.968 1.00 0.00 C ATOM 387 CD1 PHE A 25 11.084 0.508 -4.799 1.00 0.00 C ATOM 388 CD2 PHE A 25 12.058 1.168 -2.667 1.00 0.00 C ATOM 389 CE1 PHE A 25 10.941 -0.808 -4.327 1.00 0.00 C ATOM 390 CE2 PHE A 25 11.959 -0.157 -2.212 1.00 0.00 C ATOM 391 CZ PHE A 25 11.389 -1.143 -3.038 1.00 0.00 C ATOM 0 H PHE A 25 10.210 4.655 -6.215 1.00 0.00 H new ATOM 0 HA PHE A 25 9.763 3.254 -3.689 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.090 2.912 -5.501 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.543 3.429 -3.888 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.770 0.758 -5.802 1.00 0.00 H new ATOM 0 HD2 PHE A 25 12.459 1.932 -2.018 1.00 0.00 H new ATOM 0 HE1 PHE A 25 10.487 -1.561 -4.954 1.00 0.00 H new ATOM 0 HE2 PHE A 25 12.320 -0.419 -1.228 1.00 0.00 H new ATOM 0 HZ PHE A 25 11.296 -2.158 -2.681 1.00 0.00 H new ATOM 401 N HIS A 26 10.566 5.336 -2.506 1.00 0.00 N ATOM 402 CA HIS A 26 11.062 6.502 -1.790 1.00 0.00 C ATOM 403 C HIS A 26 12.437 6.141 -1.233 1.00 0.00 C ATOM 404 O HIS A 26 12.765 4.964 -1.075 1.00 0.00 O ATOM 405 CB HIS A 26 10.161 6.871 -0.608 1.00 0.00 C ATOM 406 CG HIS A 26 8.798 7.408 -0.953 1.00 0.00 C ATOM 407 ND1 HIS A 26 7.602 6.697 -0.866 1.00 0.00 N ATOM 408 CD2 HIS A 26 8.531 8.712 -1.251 1.00 0.00 C ATOM 409 CE1 HIS A 26 6.637 7.595 -1.119 1.00 0.00 C ATOM 410 NE2 HIS A 26 7.165 8.808 -1.362 1.00 0.00 N ATOM 0 H HIS A 26 10.034 4.690 -1.923 1.00 0.00 H new ATOM 0 HA HIS A 26 11.092 7.349 -2.475 1.00 0.00 H new ATOM 0 HB2 HIS A 26 10.033 5.985 0.014 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.679 7.614 -0.002 1.00 0.00 H new ATOM 0 HD2 HIS A 26 9.249 9.509 -1.375 1.00 0.00 H new ATOM 0 HE1 HIS A 26 5.580 7.374 -1.126 1.00 0.00 H new ATOM 0 HE2 HIS A 26 6.642 9.653 -1.589 1.00 0.00 H new ATOM 418 N LEU A 27 13.229 7.162 -0.897 1.00 0.00 N ATOM 419 CA LEU A 27 14.463 6.987 -0.150 1.00 0.00 C ATOM 420 C LEU A 27 14.136 6.336 1.198 1.00 0.00 C ATOM 421 O LEU A 27 14.805 5.397 1.622 1.00 0.00 O ATOM 422 CB LEU A 27 15.146 8.340 0.064 1.00 0.00 C ATOM 423 CG LEU A 27 15.807 8.940 -1.187 1.00 0.00 C ATOM 424 CD1 LEU A 27 14.815 9.391 -2.263 1.00 0.00 C ATOM 425 CD2 LEU A 27 16.597 10.174 -0.753 1.00 0.00 C ATOM 0 H LEU A 27 13.027 8.132 -1.139 1.00 0.00 H new ATOM 0 HA LEU A 27 15.145 6.346 -0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 27 14.407 9.047 0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 27 15.904 8.229 0.839 1.00 0.00 H new ATOM 0 HG LEU A 27 16.425 8.155 -1.623 1.00 0.00 H new ATOM 0 HD11 LEU A 27 15.361 9.802 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.222 8.538 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.155 10.155 -1.852 1.00 0.00 H new ATOM 0 HD21 LEU A 27 17.078 10.622 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 27 15.920 10.898 -0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 27 17.357 9.883 -0.027 1.00 0.00 H new ATOM 437 N PHE A 28 13.063 6.819 1.833 1.00 0.00 N ATOM 438 CA PHE A 28 12.550 6.328 3.103 1.00 0.00 C ATOM 439 C PHE A 28 12.221 4.832 3.037 1.00 0.00 C ATOM 440 O PHE A 28 12.466 4.104 3.997 1.00 0.00 O ATOM 441 CB PHE A 28 11.314 7.143 3.515 1.00 0.00 C ATOM 442 CG PHE A 28 11.392 8.628 3.194 1.00 0.00 C ATOM 443 CD1 PHE A 28 12.480 9.395 3.657 1.00 0.00 C ATOM 444 CD2 PHE A 28 10.483 9.193 2.277 1.00 0.00 C ATOM 445 CE1 PHE A 28 12.663 10.709 3.191 1.00 0.00 C ATOM 446 CE2 PHE A 28 10.693 10.491 1.782 1.00 0.00 C ATOM 447 CZ PHE A 28 11.777 11.252 2.246 1.00 0.00 C ATOM 0 H PHE A 28 12.512 7.591 1.457 1.00 0.00 H new ATOM 0 HA PHE A 28 13.326 6.454 3.858 1.00 0.00 H new ATOM 0 HB2 PHE A 28 10.438 6.724 3.019 1.00 0.00 H new ATOM 0 HB3 PHE A 28 11.160 7.025 4.588 1.00 0.00 H new ATOM 0 HD1 PHE A 28 13.173 8.973 4.370 1.00 0.00 H new ATOM 0 HD2 PHE A 28 9.622 8.626 1.954 1.00 0.00 H new ATOM 0 HE1 PHE A 28 13.487 11.302 3.560 1.00 0.00 H new ATOM 0 HE2 PHE A 28 10.020 10.903 1.044 1.00 0.00 H new ATOM 0 HZ PHE A 28 11.930 12.255 1.876 1.00 0.00 H new ATOM 457 N CYS A 29 11.656 4.380 1.908 1.00 0.00 N ATOM 458 CA CYS A 29 11.256 2.993 1.702 1.00 0.00 C ATOM 459 C CYS A 29 12.472 2.081 1.507 1.00 0.00 C ATOM 460 O CYS A 29 12.397 0.906 1.860 1.00 0.00 O ATOM 461 CB CYS A 29 10.261 2.898 0.542 1.00 0.00 C ATOM 462 SG CYS A 29 8.708 3.783 0.849 1.00 0.00 S ATOM 0 H CYS A 29 11.464 4.980 1.106 1.00 0.00 H new ATOM 0 HA CYS A 29 10.751 2.638 2.600 1.00 0.00 H new ATOM 0 HB2 CYS A 29 10.726 3.298 -0.359 1.00 0.00 H new ATOM 0 HB3 CYS A 29 10.040 1.848 0.348 1.00 0.00 H new ATOM 467 N LEU A 30 13.581 2.595 0.952 1.00 0.00 N ATOM 468 CA LEU A 30 14.844 1.861 0.956 1.00 0.00 C ATOM 469 C LEU A 30 15.291 1.689 2.410 1.00 0.00 C ATOM 470 O LEU A 30 15.547 0.569 2.849 1.00 0.00 O ATOM 471 CB LEU A 30 15.922 2.563 0.116 1.00 0.00 C ATOM 472 CG LEU A 30 15.608 2.646 -1.386 1.00 0.00 C ATOM 473 CD1 LEU A 30 16.658 3.529 -2.069 1.00 0.00 C ATOM 474 CD2 LEU A 30 15.615 1.268 -2.060 1.00 0.00 C ATOM 0 H LEU A 30 13.623 3.508 0.500 1.00 0.00 H new ATOM 0 HA LEU A 30 14.695 0.885 0.495 1.00 0.00 H new ATOM 0 HB2 LEU A 30 16.064 3.573 0.501 1.00 0.00 H new ATOM 0 HB3 LEU A 30 16.867 2.036 0.248 1.00 0.00 H new ATOM 0 HG LEU A 30 14.608 3.067 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 30 16.442 3.593 -3.135 1.00 0.00 H new ATOM 0 HD12 LEU A 30 16.633 4.528 -1.633 1.00 0.00 H new ATOM 0 HD13 LEU A 30 17.648 3.095 -1.925 1.00 0.00 H new ATOM 0 HD21 LEU A 30 15.388 1.380 -3.120 1.00 0.00 H new ATOM 0 HD22 LEU A 30 16.599 0.812 -1.946 1.00 0.00 H new ATOM 0 HD23 LEU A 30 14.864 0.631 -1.593 1.00 0.00 H new ATOM 486 N ARG A 31 15.364 2.804 3.145 1.00 0.00 N ATOM 487 CA ARG A 31 15.544 2.842 4.593 1.00 0.00 C ATOM 488 C ARG A 31 15.300 4.272 5.092 1.00 0.00 C ATOM 489 O ARG A 31 15.663 5.220 4.400 1.00 0.00 O ATOM 490 CB ARG A 31 16.932 2.321 5.010 1.00 0.00 C ATOM 491 CG ARG A 31 18.094 3.078 4.356 1.00 0.00 C ATOM 492 CD ARG A 31 19.454 2.651 4.919 1.00 0.00 C ATOM 493 NE ARG A 31 19.818 1.283 4.524 1.00 0.00 N ATOM 494 CZ ARG A 31 19.639 0.163 5.246 1.00 0.00 C ATOM 495 NH1 ARG A 31 19.004 0.192 6.428 1.00 0.00 N ATOM 496 NH2 ARG A 31 20.100 -1.004 4.783 1.00 0.00 N ATOM 0 H ARG A 31 15.297 3.734 2.731 1.00 0.00 H new ATOM 0 HA ARG A 31 14.818 2.175 5.058 1.00 0.00 H new ATOM 0 HB2 ARG A 31 17.027 2.392 6.094 1.00 0.00 H new ATOM 0 HB3 ARG A 31 17.007 1.265 4.752 1.00 0.00 H new ATOM 0 HG2 ARG A 31 18.078 2.905 3.280 1.00 0.00 H new ATOM 0 HG3 ARG A 31 17.960 4.149 4.509 1.00 0.00 H new ATOM 0 HD2 ARG A 31 20.221 3.343 4.572 1.00 0.00 H new ATOM 0 HD3 ARG A 31 19.432 2.719 6.007 1.00 0.00 H new ATOM 0 HE ARG A 31 20.251 1.172 3.607 1.00 0.00 H new ATOM 0 HH11 ARG A 31 18.647 1.075 6.794 1.00 0.00 H new ATOM 0 HH12 ARG A 31 18.878 -0.669 6.961 1.00 0.00 H new ATOM 0 HH21 ARG A 31 20.585 -1.041 3.886 1.00 0.00 H new ATOM 0 HH22 ARG A 31 19.967 -1.857 5.327 1.00 0.00 H new ATOM 510 N PRO A 32 14.693 4.461 6.277 1.00 0.00 N ATOM 511 CA PRO A 32 14.348 5.780 6.795 1.00 0.00 C ATOM 512 C PRO A 32 15.591 6.655 6.981 1.00 0.00 C ATOM 513 O PRO A 32 15.557 7.842 6.670 1.00 0.00 O ATOM 514 CB PRO A 32 13.614 5.530 8.116 1.00 0.00 C ATOM 515 CG PRO A 32 14.137 4.167 8.568 1.00 0.00 C ATOM 516 CD PRO A 32 14.356 3.431 7.246 1.00 0.00 C ATOM 0 HA PRO A 32 13.717 6.331 6.098 1.00 0.00 H new ATOM 0 HB2 PRO A 32 13.833 6.306 8.849 1.00 0.00 H new ATOM 0 HB3 PRO A 32 12.533 5.518 7.978 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.062 4.258 9.138 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.419 3.650 9.205 1.00 0.00 H new ATOM 0 HD2 PRO A 32 15.158 2.698 7.334 1.00 0.00 H new ATOM 0 HD3 PRO A 32 13.459 2.889 6.946 1.00 0.00 H new ATOM 524 N ALA A 33 16.693 6.054 7.452 1.00 0.00 N ATOM 525 CA ALA A 33 17.989 6.702 7.618 1.00 0.00 C ATOM 526 C ALA A 33 18.487 7.387 6.342 1.00 0.00 C ATOM 527 O ALA A 33 19.188 8.394 6.423 1.00 0.00 O ATOM 528 CB ALA A 33 19.007 5.664 8.098 1.00 0.00 C ATOM 0 H ALA A 33 16.701 5.074 7.735 1.00 0.00 H new ATOM 0 HA ALA A 33 17.870 7.492 8.359 1.00 0.00 H new ATOM 0 HB1 ALA A 33 19.979 6.140 8.225 1.00 0.00 H new ATOM 0 HB2 ALA A 33 18.680 5.247 9.051 1.00 0.00 H new ATOM 0 HB3 ALA A 33 19.087 4.865 7.361 1.00 0.00 H new ATOM 534 N LEU A 34 18.145 6.838 5.170 1.00 0.00 N ATOM 535 CA LEU A 34 18.376 7.484 3.888 1.00 0.00 C ATOM 536 C LEU A 34 17.304 8.560 3.698 1.00 0.00 C ATOM 537 O LEU A 34 16.196 8.269 3.253 1.00 0.00 O ATOM 538 CB LEU A 34 18.363 6.421 2.778 1.00 0.00 C ATOM 539 CG LEU A 34 18.816 6.936 1.404 1.00 0.00 C ATOM 540 CD1 LEU A 34 20.341 7.098 1.343 1.00 0.00 C ATOM 541 CD2 LEU A 34 18.377 5.933 0.332 1.00 0.00 C ATOM 0 H LEU A 34 17.697 5.925 5.093 1.00 0.00 H new ATOM 0 HA LEU A 34 19.351 7.970 3.848 1.00 0.00 H new ATOM 0 HB2 LEU A 34 19.010 5.595 3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 34 17.354 6.019 2.688 1.00 0.00 H new ATOM 0 HG LEU A 34 18.361 7.912 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 34 20.629 7.464 0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 34 20.662 7.811 2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.817 6.134 1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.693 6.287 -0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 34 18.834 4.964 0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 34 17.292 5.833 0.350 1.00 0.00 H new ATOM 553 N TYR A 35 17.642 9.802 4.062 1.00 0.00 N ATOM 554 CA TYR A 35 16.822 10.985 3.824 1.00 0.00 C ATOM 555 C TYR A 35 17.203 11.670 2.511 1.00 0.00 C ATOM 556 O TYR A 35 16.329 12.192 1.819 1.00 0.00 O ATOM 557 CB TYR A 35 16.956 11.951 5.006 1.00 0.00 C ATOM 558 CG TYR A 35 16.497 11.362 6.327 1.00 0.00 C ATOM 559 CD1 TYR A 35 15.122 11.230 6.597 1.00 0.00 C ATOM 560 CD2 TYR A 35 17.440 10.895 7.261 1.00 0.00 C ATOM 561 CE1 TYR A 35 14.692 10.631 7.793 1.00 0.00 C ATOM 562 CE2 TYR A 35 17.010 10.288 8.454 1.00 0.00 C ATOM 563 CZ TYR A 35 15.635 10.144 8.714 1.00 0.00 C ATOM 564 OH TYR A 35 15.216 9.515 9.850 1.00 0.00 O ATOM 0 H TYR A 35 18.517 10.013 4.542 1.00 0.00 H new ATOM 0 HA TYR A 35 15.781 10.675 3.736 1.00 0.00 H new ATOM 0 HB2 TYR A 35 17.998 12.258 5.097 1.00 0.00 H new ATOM 0 HB3 TYR A 35 16.376 12.850 4.797 1.00 0.00 H new ATOM 0 HD1 TYR A 35 14.396 11.590 5.883 1.00 0.00 H new ATOM 0 HD2 TYR A 35 18.496 11.003 7.061 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.636 10.545 8.005 1.00 0.00 H new ATOM 0 HE2 TYR A 35 17.735 9.932 9.171 1.00 0.00 H new ATOM 0 HH TYR A 35 15.995 9.239 10.377 1.00 0.00 H new ATOM 574 N GLU A 36 18.502 11.673 2.187 1.00 0.00 N ATOM 575 CA GLU A 36 19.066 12.252 0.972 1.00 0.00 C ATOM 576 C GLU A 36 19.667 11.144 0.108 1.00 0.00 C ATOM 577 O GLU A 36 19.917 10.042 0.595 1.00 0.00 O ATOM 578 CB GLU A 36 20.122 13.304 1.340 1.00 0.00 C ATOM 579 CG GLU A 36 19.526 14.478 2.130 1.00 0.00 C ATOM 580 CD GLU A 36 18.451 15.212 1.335 1.00 0.00 C ATOM 581 OE1 GLU A 36 18.822 15.846 0.323 1.00 0.00 O ATOM 582 OE2 GLU A 36 17.269 15.113 1.733 1.00 0.00 O ATOM 0 H GLU A 36 19.211 11.256 2.789 1.00 0.00 H new ATOM 0 HA GLU A 36 18.281 12.745 0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 36 20.909 12.834 1.930 1.00 0.00 H new ATOM 0 HB3 GLU A 36 20.588 13.681 0.430 1.00 0.00 H new ATOM 0 HG2 GLU A 36 19.099 14.108 3.062 1.00 0.00 H new ATOM 0 HG3 GLU A 36 20.320 15.176 2.397 1.00 0.00 H new ATOM 589 N VAL A 37 19.877 11.434 -1.181 1.00 0.00 N ATOM 590 CA VAL A 37 20.231 10.448 -2.193 1.00 0.00 C ATOM 591 C VAL A 37 21.570 9.759 -1.883 1.00 0.00 C ATOM 592 O VAL A 37 22.404 10.334 -1.185 1.00 0.00 O ATOM 593 CB VAL A 37 20.237 11.105 -3.586 1.00 0.00 C ATOM 594 CG1 VAL A 37 18.835 11.598 -3.972 1.00 0.00 C ATOM 595 CG2 VAL A 37 21.247 12.255 -3.701 1.00 0.00 C ATOM 0 H VAL A 37 19.803 12.382 -1.551 1.00 0.00 H new ATOM 0 HA VAL A 37 19.475 9.663 -2.183 1.00 0.00 H new ATOM 0 HB VAL A 37 20.550 10.328 -4.284 1.00 0.00 H new ATOM 0 HG11 VAL A 37 18.870 12.057 -4.960 1.00 0.00 H new ATOM 0 HG12 VAL A 37 18.144 10.755 -3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 37 18.494 12.333 -3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 37 21.204 12.678 -4.705 1.00 0.00 H new ATOM 0 HG22 VAL A 37 21.003 13.027 -2.972 1.00 0.00 H new ATOM 0 HG23 VAL A 37 22.251 11.878 -3.508 1.00 0.00 H new ATOM 605 N PRO A 38 21.785 8.533 -2.393 1.00 0.00 N ATOM 606 CA PRO A 38 23.052 7.826 -2.290 1.00 0.00 C ATOM 607 C PRO A 38 23.970 8.301 -3.421 1.00 0.00 C ATOM 608 O PRO A 38 24.348 9.472 -3.433 1.00 0.00 O ATOM 609 CB PRO A 38 22.664 6.343 -2.345 1.00 0.00 C ATOM 610 CG PRO A 38 21.457 6.339 -3.281 1.00 0.00 C ATOM 611 CD PRO A 38 20.755 7.650 -2.921 1.00 0.00 C ATOM 0 HA PRO A 38 23.619 8.010 -1.377 1.00 0.00 H new ATOM 0 HB2 PRO A 38 23.476 5.727 -2.731 1.00 0.00 H new ATOM 0 HB3 PRO A 38 22.411 5.955 -1.358 1.00 0.00 H new ATOM 0 HG2 PRO A 38 21.756 6.313 -4.329 1.00 0.00 H new ATOM 0 HG3 PRO A 38 20.815 5.475 -3.111 1.00 0.00 H new ATOM 0 HD2 PRO A 38 20.278 8.089 -3.797 1.00 0.00 H new ATOM 0 HD3 PRO A 38 19.971 7.481 -2.182 1.00 0.00 H new ATOM 619 N ASP A 39 24.288 7.441 -4.399 1.00 0.00 N ATOM 620 CA ASP A 39 24.970 7.825 -5.629 1.00 0.00 C ATOM 621 C ASP A 39 23.955 8.223 -6.705 1.00 0.00 C ATOM 622 O ASP A 39 24.135 7.911 -7.882 1.00 0.00 O ATOM 623 CB ASP A 39 25.875 6.673 -6.088 1.00 0.00 C ATOM 624 CG ASP A 39 26.918 6.318 -5.031 1.00 0.00 C ATOM 625 OD1 ASP A 39 27.972 6.992 -5.021 1.00 0.00 O ATOM 626 OD2 ASP A 39 26.642 5.380 -4.251 1.00 0.00 O ATOM 0 H ASP A 39 24.072 6.445 -4.351 1.00 0.00 H new ATOM 0 HA ASP A 39 25.596 8.698 -5.446 1.00 0.00 H new ATOM 0 HB2 ASP A 39 25.265 5.796 -6.306 1.00 0.00 H new ATOM 0 HB3 ASP A 39 26.376 6.951 -7.015 1.00 0.00 H new ATOM 631 N GLY A 40 22.895 8.932 -6.296 1.00 0.00 N ATOM 632 CA GLY A 40 21.892 9.496 -7.185 1.00 0.00 C ATOM 633 C GLY A 40 21.024 8.400 -7.801 1.00 0.00 C ATOM 634 O GLY A 40 19.965 8.075 -7.268 1.00 0.00 O ATOM 0 H GLY A 40 22.714 9.130 -5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 40 21.263 10.194 -6.633 1.00 0.00 H new ATOM 0 HA3 GLY A 40 22.381 10.064 -7.976 1.00 0.00 H new ATOM 638 N GLU A 41 21.477 7.850 -8.934 1.00 0.00 N ATOM 639 CA GLU A 41 20.859 6.713 -9.595 1.00 0.00 C ATOM 640 C GLU A 41 21.027 5.466 -8.726 1.00 0.00 C ATOM 641 O GLU A 41 22.112 5.221 -8.199 1.00 0.00 O ATOM 642 CB GLU A 41 21.506 6.501 -10.971 1.00 0.00 C ATOM 643 CG GLU A 41 21.306 7.714 -11.890 1.00 0.00 C ATOM 644 CD GLU A 41 21.947 7.480 -13.254 1.00 0.00 C ATOM 645 OE1 GLU A 41 23.173 7.698 -13.350 1.00 0.00 O ATOM 646 OE2 GLU A 41 21.200 7.083 -14.175 1.00 0.00 O ATOM 0 H GLU A 41 22.303 8.197 -9.421 1.00 0.00 H new ATOM 0 HA GLU A 41 19.795 6.903 -9.736 1.00 0.00 H new ATOM 0 HB2 GLU A 41 22.572 6.312 -10.846 1.00 0.00 H new ATOM 0 HB3 GLU A 41 21.078 5.615 -11.441 1.00 0.00 H new ATOM 0 HG2 GLU A 41 20.241 7.909 -12.014 1.00 0.00 H new ATOM 0 HG3 GLU A 41 21.741 8.600 -11.428 1.00 0.00 H new ATOM 653 N TRP A 42 19.946 4.696 -8.556 1.00 0.00 N ATOM 654 CA TRP A 42 19.886 3.604 -7.597 1.00 0.00 C ATOM 655 C TRP A 42 18.693 2.705 -7.918 1.00 0.00 C ATOM 656 O TRP A 42 17.716 3.162 -8.511 1.00 0.00 O ATOM 657 CB TRP A 42 19.772 4.168 -6.176 1.00 0.00 C ATOM 658 CG TRP A 42 20.132 3.219 -5.078 1.00 0.00 C ATOM 659 CD1 TRP A 42 19.271 2.421 -4.408 1.00 0.00 C ATOM 660 CD2 TRP A 42 21.449 2.950 -4.513 1.00 0.00 C ATOM 661 NE1 TRP A 42 19.963 1.660 -3.492 1.00 0.00 N ATOM 662 CE2 TRP A 42 21.312 1.949 -3.508 1.00 0.00 C ATOM 663 CE3 TRP A 42 22.748 3.446 -4.755 1.00 0.00 C ATOM 664 CZ2 TRP A 42 22.409 1.461 -2.784 1.00 0.00 C ATOM 665 CZ3 TRP A 42 23.853 2.976 -4.022 1.00 0.00 C ATOM 666 CH2 TRP A 42 23.686 1.985 -3.039 1.00 0.00 C ATOM 0 H TRP A 42 19.085 4.820 -9.088 1.00 0.00 H new ATOM 0 HA TRP A 42 20.798 3.010 -7.661 1.00 0.00 H new ATOM 0 HB2 TRP A 42 20.414 5.046 -6.099 1.00 0.00 H new ATOM 0 HB3 TRP A 42 18.748 4.507 -6.019 1.00 0.00 H new ATOM 0 HD1 TRP A 42 18.203 2.386 -4.567 1.00 0.00 H new ATOM 0 HE1 TRP A 42 19.532 0.969 -2.878 1.00 0.00 H new ATOM 0 HE3 TRP A 42 22.896 4.199 -5.515 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 22.273 0.691 -2.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 24.836 3.379 -4.216 1.00 0.00 H new ATOM 0 HH2 TRP A 42 24.539 1.627 -2.481 1.00 0.00 H new ATOM 677 N GLN A 43 18.777 1.432 -7.514 1.00 0.00 N ATOM 678 CA GLN A 43 17.805 0.398 -7.843 1.00 0.00 C ATOM 679 C GLN A 43 17.211 -0.203 -6.564 1.00 0.00 C ATOM 680 O GLN A 43 17.783 -0.083 -5.481 1.00 0.00 O ATOM 681 CB GLN A 43 18.474 -0.679 -8.700 1.00 0.00 C ATOM 682 CG GLN A 43 18.988 -0.153 -10.045 1.00 0.00 C ATOM 683 CD GLN A 43 19.735 -1.231 -10.828 1.00 0.00 C ATOM 684 OE1 GLN A 43 20.172 -2.232 -10.266 1.00 0.00 O ATOM 685 NE2 GLN A 43 19.886 -1.033 -12.137 1.00 0.00 N ATOM 0 H GLN A 43 19.544 1.090 -6.935 1.00 0.00 H new ATOM 0 HA GLN A 43 16.987 0.838 -8.414 1.00 0.00 H new ATOM 0 HB2 GLN A 43 19.307 -1.110 -8.144 1.00 0.00 H new ATOM 0 HB3 GLN A 43 17.761 -1.484 -8.881 1.00 0.00 H new ATOM 0 HG2 GLN A 43 18.149 0.211 -10.638 1.00 0.00 H new ATOM 0 HG3 GLN A 43 19.650 0.696 -9.874 1.00 0.00 H new ATOM 0 HE21 GLN A 43 19.511 -0.190 -12.572 1.00 0.00 H new ATOM 0 HE22 GLN A 43 20.377 -1.724 -12.704 1.00 0.00 H new ATOM 694 N CYS A 44 16.045 -0.845 -6.698 1.00 0.00 N ATOM 695 CA CYS A 44 15.252 -1.354 -5.585 1.00 0.00 C ATOM 696 C CYS A 44 15.948 -2.565 -4.942 1.00 0.00 C ATOM 697 O CYS A 44 16.745 -3.210 -5.618 1.00 0.00 O ATOM 698 CB CYS A 44 13.842 -1.693 -6.094 1.00 0.00 C ATOM 699 SG CYS A 44 13.737 -2.968 -7.378 1.00 0.00 S ATOM 0 H CYS A 44 15.621 -1.027 -7.608 1.00 0.00 H new ATOM 0 HA CYS A 44 15.161 -0.596 -4.807 1.00 0.00 H new ATOM 0 HB2 CYS A 44 13.239 -2.013 -5.244 1.00 0.00 H new ATOM 0 HB3 CYS A 44 13.389 -0.780 -6.481 1.00 0.00 H new ATOM 704 N PRO A 45 15.645 -2.907 -3.672 1.00 0.00 N ATOM 705 CA PRO A 45 16.372 -3.883 -2.859 1.00 0.00 C ATOM 706 C PRO A 45 16.740 -5.199 -3.557 1.00 0.00 C ATOM 707 O PRO A 45 17.807 -5.749 -3.295 1.00 0.00 O ATOM 708 CB PRO A 45 15.497 -4.138 -1.630 1.00 0.00 C ATOM 709 CG PRO A 45 14.772 -2.807 -1.463 1.00 0.00 C ATOM 710 CD PRO A 45 14.507 -2.415 -2.915 1.00 0.00 C ATOM 0 HA PRO A 45 17.348 -3.462 -2.615 1.00 0.00 H new ATOM 0 HB2 PRO A 45 14.802 -4.962 -1.790 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.092 -4.389 -0.752 1.00 0.00 H new ATOM 0 HG2 PRO A 45 13.849 -2.912 -0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 45 15.385 -2.069 -0.945 1.00 0.00 H new ATOM 0 HD2 PRO A 45 13.578 -2.856 -3.276 1.00 0.00 H new ATOM 0 HD3 PRO A 45 14.408 -1.334 -3.016 1.00 0.00 H new ATOM 718 N ALA A 46 15.855 -5.721 -4.416 1.00 0.00 N ATOM 719 CA ALA A 46 16.051 -6.991 -5.097 1.00 0.00 C ATOM 720 C ALA A 46 17.161 -6.863 -6.139 1.00 0.00 C ATOM 721 O ALA A 46 18.004 -7.750 -6.264 1.00 0.00 O ATOM 722 CB ALA A 46 14.736 -7.421 -5.753 1.00 0.00 C ATOM 0 H ALA A 46 14.976 -5.262 -4.655 1.00 0.00 H new ATOM 0 HA ALA A 46 16.351 -7.751 -4.375 1.00 0.00 H new ATOM 0 HB1 ALA A 46 14.879 -8.373 -6.265 1.00 0.00 H new ATOM 0 HB2 ALA A 46 13.967 -7.532 -4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 46 14.425 -6.665 -6.474 1.00 0.00 H new ATOM 728 N CYS A 47 17.148 -5.756 -6.888 1.00 0.00 N ATOM 729 CA CYS A 47 18.135 -5.439 -7.901 1.00 0.00 C ATOM 730 C CYS A 47 19.457 -5.037 -7.241 1.00 0.00 C ATOM 731 O CYS A 47 20.499 -5.627 -7.518 1.00 0.00 O ATOM 732 CB CYS A 47 17.583 -4.313 -8.780 1.00 0.00 C ATOM 733 SG CYS A 47 16.064 -4.713 -9.676 1.00 0.00 S ATOM 0 H CYS A 47 16.426 -5.041 -6.796 1.00 0.00 H new ATOM 0 HA CYS A 47 18.334 -6.311 -8.523 1.00 0.00 H new ATOM 0 HB2 CYS A 47 17.397 -3.441 -8.153 1.00 0.00 H new ATOM 0 HB3 CYS A 47 18.348 -4.029 -9.502 1.00 0.00 H new ATOM 738 N GLN A 48 19.393 -4.029 -6.363 1.00 0.00 N ATOM 739 CA GLN A 48 20.499 -3.488 -5.591 1.00 0.00 C ATOM 740 C GLN A 48 20.026 -3.375 -4.141 1.00 0.00 C ATOM 741 O GLN A 48 19.180 -2.529 -3.855 1.00 0.00 O ATOM 742 CB GLN A 48 20.859 -2.114 -6.161 1.00 0.00 C ATOM 743 CG GLN A 48 22.029 -1.441 -5.439 1.00 0.00 C ATOM 744 CD GLN A 48 22.346 -0.080 -6.057 1.00 0.00 C ATOM 745 OE1 GLN A 48 21.471 0.577 -6.618 1.00 0.00 O ATOM 746 NE2 GLN A 48 23.605 0.352 -5.956 1.00 0.00 N ATOM 0 H GLN A 48 18.515 -3.548 -6.167 1.00 0.00 H new ATOM 0 HA GLN A 48 21.384 -4.123 -5.638 1.00 0.00 H new ATOM 0 HB2 GLN A 48 21.107 -2.221 -7.217 1.00 0.00 H new ATOM 0 HB3 GLN A 48 19.985 -1.465 -6.103 1.00 0.00 H new ATOM 0 HG2 GLN A 48 21.786 -1.317 -4.384 1.00 0.00 H new ATOM 0 HG3 GLN A 48 22.909 -2.082 -5.491 1.00 0.00 H new ATOM 0 HE21 GLN A 48 24.304 -0.221 -5.483 1.00 0.00 H new ATOM 0 HE22 GLN A 48 23.868 1.255 -6.352 1.00 0.00 H new ATOM 755 N PRO A 49 20.548 -4.207 -3.226 1.00 0.00 N ATOM 756 CA PRO A 49 20.334 -4.071 -1.794 1.00 0.00 C ATOM 757 C PRO A 49 20.599 -2.653 -1.289 1.00 0.00 C ATOM 758 O PRO A 49 21.625 -2.057 -1.614 1.00 0.00 O ATOM 759 CB PRO A 49 21.250 -5.110 -1.150 1.00 0.00 C ATOM 760 CG PRO A 49 21.225 -6.235 -2.186 1.00 0.00 C ATOM 761 CD PRO A 49 21.202 -5.474 -3.512 1.00 0.00 C ATOM 0 HA PRO A 49 19.291 -4.246 -1.530 1.00 0.00 H new ATOM 0 HB2 PRO A 49 22.257 -4.724 -0.990 1.00 0.00 H new ATOM 0 HB3 PRO A 49 20.877 -5.439 -0.180 1.00 0.00 H new ATOM 0 HG2 PRO A 49 22.100 -6.879 -2.105 1.00 0.00 H new ATOM 0 HG3 PRO A 49 20.348 -6.872 -2.070 1.00 0.00 H new ATOM 0 HD2 PRO A 49 22.212 -5.317 -3.891 1.00 0.00 H new ATOM 0 HD3 PRO A 49 20.659 -6.032 -4.275 1.00 0.00 H new ATOM 769 N ALA A 50 19.655 -2.117 -0.507 1.00 0.00 N ATOM 770 CA ALA A 50 19.789 -0.828 0.152 1.00 0.00 C ATOM 771 C ALA A 50 20.955 -0.872 1.139 1.00 0.00 C ATOM 772 O ALA A 50 20.887 -1.574 2.147 1.00 0.00 O ATOM 773 CB ALA A 50 18.479 -0.479 0.866 1.00 0.00 C ATOM 0 H ALA A 50 18.766 -2.579 -0.316 1.00 0.00 H new ATOM 0 HA ALA A 50 19.996 -0.055 -0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 50 18.580 0.487 1.360 1.00 0.00 H new ATOM 0 HB2 ALA A 50 17.669 -0.432 0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 50 18.254 -1.244 1.609 1.00 0.00 H new ATOM 779 N THR A 51 22.024 -0.129 0.840 1.00 0.00 N ATOM 780 CA THR A 51 23.122 0.111 1.763 1.00 0.00 C ATOM 781 C THR A 51 22.600 0.878 2.975 1.00 0.00 C ATOM 782 O THR A 51 22.002 1.955 2.754 1.00 0.00 O ATOM 783 CB THR A 51 24.226 0.902 1.046 1.00 0.00 C ATOM 784 OG1 THR A 51 23.665 2.036 0.417 1.00 0.00 O ATOM 785 CG2 THR A 51 24.939 0.038 0.003 1.00 0.00 C ATOM 786 OXT THR A 51 22.769 0.362 4.101 1.00 0.00 O ATOM 0 H THR A 51 22.147 0.326 -0.064 1.00 0.00 H new ATOM 0 HA THR A 51 23.542 -0.835 2.104 1.00 0.00 H new ATOM 0 HB THR A 51 24.959 1.214 1.790 1.00 0.00 H new ATOM 0 HG1 THR A 51 22.875 2.330 0.917 1.00 0.00 H new ATOM 0 HG21 THR A 51 25.715 0.626 -0.487 1.00 0.00 H new ATOM 0 HG22 THR A 51 25.392 -0.824 0.493 1.00 0.00 H new ATOM 0 HG23 THR A 51 24.219 -0.304 -0.740 1.00 0.00 H new TER 794 THR A 51 HETATM 795 ZN ZN A 52 7.064 4.706 -0.468 1.00 0.00 ZN HETATM 796 ZN ZN A 53 14.461 -3.068 -9.558 1.00 0.00 ZN