USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 260 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 111 SER OG : rot 180:sc= -0.381! USER MOD Set 1.2: A 113 SER OG : rot 180:sc= 0.0267 USER MOD Set 2.1: A 90 CYS SG : rot 154:sc= 0.236 USER MOD Set 2.2: A 93 CYS SG : rot 122:sc= 0.0466 USER MOD Set 2.3: A 110 CYS SG : rot 50:sc= 1.57 USER MOD Set 2.4: A 114 CYS SG : rot 163:sc= -2.32 USER MOD Single : A 92 MET CE :methyl -153:sc= -2.2 (180deg=-4.14!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -161:sc= -0.0107 (180deg=-0.191) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 107 LYS NZ :NH3+ -167:sc= -0.591 (180deg=-0.784) USER MOD Single : A 115 SER OG : rot 71:sc= 0.476 USER MOD Single : A 117 SER OG : rot 95:sc= 1.1 USER MOD Single : A 118 TYR OH : rot -18:sc= 1.06 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 86 57.283 14.989 0.935 1.00 0.00 N ATOM 40 CA GLU A 86 58.207 13.911 0.602 1.00 0.00 C ATOM 41 C GLU A 86 57.466 12.577 0.500 1.00 0.00 C ATOM 42 O GLU A 86 56.903 12.102 1.482 1.00 0.00 O ATOM 43 CB GLU A 86 59.310 13.815 1.659 1.00 0.00 C ATOM 44 CG GLU A 86 60.539 14.647 1.333 1.00 0.00 C ATOM 45 CD GLU A 86 61.473 13.950 0.363 1.00 0.00 C ATOM 46 OE1 GLU A 86 61.424 14.269 -0.843 1.00 0.00 O ATOM 47 OE2 GLU A 86 62.255 13.084 0.811 1.00 0.00 O ATOM 0 HA GLU A 86 58.658 14.133 -0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 86 58.909 14.136 2.621 1.00 0.00 H new ATOM 0 HB3 GLU A 86 59.606 12.772 1.769 1.00 0.00 H new ATOM 0 HG2 GLU A 86 60.226 15.601 0.908 1.00 0.00 H new ATOM 0 HG3 GLU A 86 61.078 14.870 2.254 1.00 0.00 H new ATOM 54 N PRO A 87 57.451 11.952 -0.692 1.00 0.00 N ATOM 55 CA PRO A 87 56.768 10.670 -0.899 1.00 0.00 C ATOM 56 C PRO A 87 57.421 9.531 -0.123 1.00 0.00 C ATOM 57 O PRO A 87 58.584 9.619 0.273 1.00 0.00 O ATOM 58 CB PRO A 87 56.896 10.419 -2.410 1.00 0.00 C ATOM 59 CG PRO A 87 57.322 11.722 -2.999 1.00 0.00 C ATOM 60 CD PRO A 87 58.088 12.436 -1.925 1.00 0.00 C ATOM 0 HA PRO A 87 55.737 10.708 -0.547 1.00 0.00 H new ATOM 0 HB2 PRO A 87 57.627 9.638 -2.617 1.00 0.00 H new ATOM 0 HB3 PRO A 87 55.948 10.089 -2.834 1.00 0.00 H new ATOM 0 HG2 PRO A 87 57.942 11.566 -3.882 1.00 0.00 H new ATOM 0 HG3 PRO A 87 56.459 12.307 -3.316 1.00 0.00 H new ATOM 0 HD2 PRO A 87 59.150 12.191 -1.955 1.00 0.00 H new ATOM 0 HD3 PRO A 87 58.008 13.519 -2.023 1.00 0.00 H new ATOM 68 N ALA A 88 56.664 8.459 0.080 1.00 0.00 N ATOM 69 CA ALA A 88 57.159 7.289 0.795 1.00 0.00 C ATOM 70 C ALA A 88 56.739 6.015 0.074 1.00 0.00 C ATOM 71 O ALA A 88 55.632 5.932 -0.452 1.00 0.00 O ATOM 72 CB ALA A 88 56.650 7.286 2.229 1.00 0.00 C ATOM 0 H ALA A 88 55.700 8.376 -0.243 1.00 0.00 H new ATOM 0 HA ALA A 88 58.248 7.330 0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 88 57.029 6.406 2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 88 56.995 8.185 2.740 1.00 0.00 H new ATOM 0 HB3 ALA A 88 55.560 7.265 2.228 1.00 0.00 H new ATOM 78 N VAL A 89 57.626 5.027 0.039 1.00 0.00 N ATOM 79 CA VAL A 89 57.329 3.770 -0.637 1.00 0.00 C ATOM 80 C VAL A 89 57.161 2.620 0.351 1.00 0.00 C ATOM 81 O VAL A 89 58.036 2.362 1.177 1.00 0.00 O ATOM 82 CB VAL A 89 58.431 3.403 -1.649 1.00 0.00 C ATOM 83 CG1 VAL A 89 58.010 2.205 -2.485 1.00 0.00 C ATOM 84 CG2 VAL A 89 58.758 4.596 -2.537 1.00 0.00 C ATOM 0 H VAL A 89 58.550 5.071 0.468 1.00 0.00 H new ATOM 0 HA VAL A 89 56.388 3.921 -1.166 1.00 0.00 H new ATOM 0 HB VAL A 89 59.331 3.132 -1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 89 58.801 1.960 -3.194 1.00 0.00 H new ATOM 0 HG12 VAL A 89 57.831 1.351 -1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 89 57.096 2.444 -3.029 1.00 0.00 H new ATOM 0 HG21 VAL A 89 59.538 4.319 -3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 89 57.864 4.900 -3.082 1.00 0.00 H new ATOM 0 HG23 VAL A 89 59.106 5.424 -1.920 1.00 0.00 H new ATOM 94 N CYS A 90 56.031 1.928 0.249 1.00 0.00 N ATOM 95 CA CYS A 90 55.740 0.796 1.121 1.00 0.00 C ATOM 96 C CYS A 90 56.333 -0.486 0.543 1.00 0.00 C ATOM 97 O CYS A 90 55.664 -1.225 -0.172 1.00 0.00 O ATOM 98 CB CYS A 90 54.230 0.643 1.298 1.00 0.00 C ATOM 99 SG CYS A 90 53.752 -0.697 2.408 1.00 0.00 S ATOM 0 H CYS A 90 55.299 2.133 -0.432 1.00 0.00 H new ATOM 0 HA CYS A 90 56.193 0.981 2.095 1.00 0.00 H new ATOM 0 HB2 CYS A 90 53.823 1.579 1.679 1.00 0.00 H new ATOM 0 HB3 CYS A 90 53.776 0.472 0.322 1.00 0.00 H new ATOM 0 HG CYS A 90 52.587 -0.438 2.924 1.00 0.00 H new ATOM 104 N GLU A 91 57.602 -0.728 0.845 1.00 0.00 N ATOM 105 CA GLU A 91 58.318 -1.903 0.345 1.00 0.00 C ATOM 106 C GLU A 91 57.519 -3.206 0.480 1.00 0.00 C ATOM 107 O GLU A 91 57.809 -4.180 -0.215 1.00 0.00 O ATOM 108 CB GLU A 91 59.659 -2.040 1.070 1.00 0.00 C ATOM 109 CG GLU A 91 60.846 -1.580 0.241 1.00 0.00 C ATOM 110 CD GLU A 91 61.097 -2.470 -0.961 1.00 0.00 C ATOM 111 OE1 GLU A 91 61.505 -3.633 -0.763 1.00 0.00 O ATOM 112 OE2 GLU A 91 60.884 -2.003 -2.100 1.00 0.00 O ATOM 0 H GLU A 91 58.165 -0.121 1.440 1.00 0.00 H new ATOM 0 HA GLU A 91 58.476 -1.742 -0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 91 59.625 -1.461 1.993 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.805 -3.083 1.352 1.00 0.00 H new ATOM 0 HG2 GLU A 91 60.674 -0.558 -0.098 1.00 0.00 H new ATOM 0 HG3 GLU A 91 61.737 -1.562 0.868 1.00 0.00 H new ATOM 119 N MET A 92 56.523 -3.238 1.364 1.00 0.00 N ATOM 120 CA MET A 92 55.725 -4.453 1.550 1.00 0.00 C ATOM 121 C MET A 92 54.618 -4.557 0.501 1.00 0.00 C ATOM 122 O MET A 92 54.555 -5.522 -0.261 1.00 0.00 O ATOM 123 CB MET A 92 55.111 -4.465 2.954 1.00 0.00 C ATOM 124 CG MET A 92 54.093 -5.579 3.186 1.00 0.00 C ATOM 125 SD MET A 92 54.589 -7.161 2.474 1.00 0.00 S ATOM 126 CE MET A 92 53.860 -8.303 3.645 1.00 0.00 C ATOM 0 H MET A 92 56.251 -2.452 1.954 1.00 0.00 H new ATOM 0 HA MET A 92 56.386 -5.311 1.433 1.00 0.00 H new ATOM 0 HB2 MET A 92 55.912 -4.562 3.687 1.00 0.00 H new ATOM 0 HB3 MET A 92 54.628 -3.505 3.135 1.00 0.00 H new ATOM 0 HG2 MET A 92 53.939 -5.703 4.258 1.00 0.00 H new ATOM 0 HG3 MET A 92 53.135 -5.281 2.759 1.00 0.00 H new ATOM 0 HE1 MET A 92 54.432 -9.231 3.653 1.00 0.00 H new ATOM 0 HE2 MET A 92 53.873 -7.861 4.641 1.00 0.00 H new ATOM 0 HE3 MET A 92 52.831 -8.514 3.355 1.00 0.00 H new ATOM 136 N CYS A 93 53.755 -3.553 0.470 1.00 0.00 N ATOM 137 CA CYS A 93 52.651 -3.514 -0.479 1.00 0.00 C ATOM 138 C CYS A 93 53.093 -2.837 -1.767 1.00 0.00 C ATOM 139 O CYS A 93 52.961 -3.391 -2.858 1.00 0.00 O ATOM 140 CB CYS A 93 51.455 -2.769 0.120 1.00 0.00 C ATOM 141 SG CYS A 93 50.967 -3.347 1.763 1.00 0.00 S ATOM 0 H CYS A 93 53.798 -2.749 1.096 1.00 0.00 H new ATOM 0 HA CYS A 93 52.348 -4.537 -0.701 1.00 0.00 H new ATOM 0 HB2 CYS A 93 51.695 -1.707 0.177 1.00 0.00 H new ATOM 0 HB3 CYS A 93 50.605 -2.868 -0.555 1.00 0.00 H new ATOM 0 HG CYS A 93 51.029 -2.360 2.607 1.00 0.00 H new ATOM 146 N GLY A 94 53.569 -1.608 -1.627 1.00 0.00 N ATOM 147 CA GLY A 94 53.976 -0.809 -2.763 1.00 0.00 C ATOM 148 C GLY A 94 53.286 0.543 -2.745 1.00 0.00 C ATOM 149 O GLY A 94 53.650 1.446 -3.498 1.00 0.00 O ATOM 0 H GLY A 94 53.682 -1.143 -0.726 1.00 0.00 H new ATOM 0 HA2 GLY A 94 55.057 -0.671 -2.748 1.00 0.00 H new ATOM 0 HA3 GLY A 94 53.735 -1.333 -3.688 1.00 0.00 H new ATOM 153 N ILE A 95 52.297 0.686 -1.857 1.00 0.00 N ATOM 154 CA ILE A 95 51.568 1.939 -1.714 1.00 0.00 C ATOM 155 C ILE A 95 52.543 3.094 -1.519 1.00 0.00 C ATOM 156 O ILE A 95 53.671 2.891 -1.068 1.00 0.00 O ATOM 157 CB ILE A 95 50.597 1.894 -0.516 1.00 0.00 C ATOM 158 CG1 ILE A 95 49.689 0.665 -0.610 1.00 0.00 C ATOM 159 CG2 ILE A 95 49.767 3.169 -0.457 1.00 0.00 C ATOM 160 CD1 ILE A 95 49.573 -0.101 0.690 1.00 0.00 C ATOM 0 H ILE A 95 51.987 -0.055 -1.228 1.00 0.00 H new ATOM 0 HA ILE A 95 50.990 2.088 -2.626 1.00 0.00 H new ATOM 0 HB ILE A 95 51.181 1.821 0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 95 48.695 0.981 -0.926 1.00 0.00 H new ATOM 0 HG13 ILE A 95 50.072 -0.002 -1.382 1.00 0.00 H new ATOM 0 HG21 ILE A 95 49.087 3.121 0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 95 50.428 4.029 -0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 95 49.191 3.271 -1.377 1.00 0.00 H new ATOM 0 HD11 ILE A 95 48.915 -0.958 0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 95 50.560 -0.448 0.997 1.00 0.00 H new ATOM 0 HD13 ILE A 95 49.161 0.550 1.461 1.00 0.00 H new ATOM 172 N VAL A 96 52.118 4.300 -1.869 1.00 0.00 N ATOM 173 CA VAL A 96 52.979 5.467 -1.735 1.00 0.00 C ATOM 174 C VAL A 96 52.179 6.722 -1.414 1.00 0.00 C ATOM 175 O VAL A 96 51.255 7.086 -2.143 1.00 0.00 O ATOM 176 CB VAL A 96 53.792 5.709 -3.024 1.00 0.00 C ATOM 177 CG1 VAL A 96 54.751 6.878 -2.850 1.00 0.00 C ATOM 178 CG2 VAL A 96 54.547 4.451 -3.422 1.00 0.00 C ATOM 0 H VAL A 96 51.190 4.495 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 96 53.659 5.260 -0.909 1.00 0.00 H new ATOM 0 HB VAL A 96 53.095 5.960 -3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 96 55.312 7.028 -3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 96 54.186 7.781 -2.618 1.00 0.00 H new ATOM 0 HG13 VAL A 96 55.442 6.663 -2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 96 55.115 4.640 -4.333 1.00 0.00 H new ATOM 0 HG22 VAL A 96 55.230 4.168 -2.621 1.00 0.00 H new ATOM 0 HG23 VAL A 96 53.838 3.642 -3.598 1.00 0.00 H new ATOM 188 N GLY A 97 52.549 7.392 -0.326 1.00 0.00 N ATOM 189 CA GLY A 97 51.876 8.610 0.074 1.00 0.00 C ATOM 190 C GLY A 97 52.859 9.584 0.694 1.00 0.00 C ATOM 191 O GLY A 97 54.071 9.384 0.595 1.00 0.00 O ATOM 0 H GLY A 97 53.311 7.107 0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 97 51.398 9.069 -0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 97 51.086 8.378 0.788 1.00 0.00 H new ATOM 195 N THR A 98 52.360 10.635 1.331 1.00 0.00 N ATOM 196 CA THR A 98 53.242 11.616 1.952 1.00 0.00 C ATOM 197 C THR A 98 53.942 11.028 3.177 1.00 0.00 C ATOM 198 O THR A 98 53.302 10.453 4.057 1.00 0.00 O ATOM 199 CB THR A 98 52.455 12.866 2.349 1.00 0.00 C ATOM 200 OG1 THR A 98 51.091 12.553 2.564 1.00 0.00 O ATOM 201 CG2 THR A 98 52.516 13.965 1.311 1.00 0.00 C ATOM 0 H THR A 98 51.364 10.830 1.431 1.00 0.00 H new ATOM 0 HA THR A 98 54.003 11.892 1.222 1.00 0.00 H new ATOM 0 HB THR A 98 52.926 13.226 3.264 1.00 0.00 H new ATOM 0 HG1 THR A 98 50.605 13.365 2.819 1.00 0.00 H new ATOM 0 HG21 THR A 98 51.937 14.822 1.655 1.00 0.00 H new ATOM 0 HG22 THR A 98 53.553 14.264 1.159 1.00 0.00 H new ATOM 0 HG23 THR A 98 52.102 13.601 0.371 1.00 0.00 H new ATOM 209 N ARG A 99 55.268 11.166 3.200 1.00 0.00 N ATOM 210 CA ARG A 99 56.102 10.644 4.287 1.00 0.00 C ATOM 211 C ARG A 99 55.395 10.704 5.641 1.00 0.00 C ATOM 212 O ARG A 99 55.117 9.670 6.248 1.00 0.00 O ATOM 213 CB ARG A 99 57.427 11.410 4.359 1.00 0.00 C ATOM 214 CG ARG A 99 58.646 10.525 4.152 1.00 0.00 C ATOM 215 CD ARG A 99 59.941 11.309 4.294 1.00 0.00 C ATOM 216 NE ARG A 99 61.112 10.479 4.018 1.00 0.00 N ATOM 217 CZ ARG A 99 62.310 10.965 3.703 1.00 0.00 C ATOM 218 NH1 ARG A 99 62.503 12.276 3.621 1.00 0.00 N ATOM 219 NH2 ARG A 99 63.319 10.137 3.469 1.00 0.00 N ATOM 0 H ARG A 99 55.795 11.642 2.468 1.00 0.00 H new ATOM 0 HA ARG A 99 56.297 9.595 4.063 1.00 0.00 H new ATOM 0 HB2 ARG A 99 57.425 12.196 3.604 1.00 0.00 H new ATOM 0 HB3 ARG A 99 57.503 11.900 5.330 1.00 0.00 H new ATOM 0 HG2 ARG A 99 58.632 9.711 4.877 1.00 0.00 H new ATOM 0 HG3 ARG A 99 58.602 10.071 3.162 1.00 0.00 H new ATOM 0 HD2 ARG A 99 59.928 12.158 3.611 1.00 0.00 H new ATOM 0 HD3 ARG A 99 60.012 11.713 5.304 1.00 0.00 H new ATOM 0 HE ARG A 99 61.004 9.466 4.070 1.00 0.00 H new ATOM 0 HH11 ARG A 99 61.730 12.917 3.800 1.00 0.00 H new ATOM 0 HH12 ARG A 99 63.424 12.642 3.379 1.00 0.00 H new ATOM 0 HH21 ARG A 99 63.176 9.129 3.531 1.00 0.00 H new ATOM 0 HH22 ARG A 99 64.238 10.508 3.227 1.00 0.00 H new ATOM 233 N GLU A 100 55.138 11.917 6.123 1.00 0.00 N ATOM 234 CA GLU A 100 54.497 12.129 7.421 1.00 0.00 C ATOM 235 C GLU A 100 53.249 11.266 7.657 1.00 0.00 C ATOM 236 O GLU A 100 52.718 11.262 8.767 1.00 0.00 O ATOM 237 CB GLU A 100 54.127 13.605 7.578 1.00 0.00 C ATOM 238 CG GLU A 100 53.436 14.193 6.359 1.00 0.00 C ATOM 239 CD GLU A 100 52.832 15.556 6.633 1.00 0.00 C ATOM 240 OE1 GLU A 100 51.731 15.611 7.220 1.00 0.00 O ATOM 241 OE2 GLU A 100 53.462 16.570 6.262 1.00 0.00 O ATOM 0 H GLU A 100 55.367 12.779 5.628 1.00 0.00 H new ATOM 0 HA GLU A 100 55.228 11.823 8.169 1.00 0.00 H new ATOM 0 HB2 GLU A 100 53.475 13.717 8.444 1.00 0.00 H new ATOM 0 HB3 GLU A 100 55.031 14.178 7.784 1.00 0.00 H new ATOM 0 HG2 GLU A 100 54.154 14.275 5.543 1.00 0.00 H new ATOM 0 HG3 GLU A 100 52.652 13.512 6.026 1.00 0.00 H new ATOM 248 N ALA A 101 52.779 10.527 6.651 1.00 0.00 N ATOM 249 CA ALA A 101 51.604 9.688 6.865 1.00 0.00 C ATOM 250 C ALA A 101 52.014 8.262 7.225 1.00 0.00 C ATOM 251 O ALA A 101 51.508 7.692 8.192 1.00 0.00 O ATOM 252 CB ALA A 101 50.721 9.691 5.626 1.00 0.00 C ATOM 0 H ALA A 101 53.178 10.492 5.713 1.00 0.00 H new ATOM 0 HA ALA A 101 51.036 10.099 7.700 1.00 0.00 H new ATOM 0 HB1 ALA A 101 49.848 9.061 5.800 1.00 0.00 H new ATOM 0 HB2 ALA A 101 50.397 10.710 5.413 1.00 0.00 H new ATOM 0 HB3 ALA A 101 51.284 9.304 4.777 1.00 0.00 H new ATOM 258 N PHE A 102 52.904 7.674 6.430 1.00 0.00 N ATOM 259 CA PHE A 102 53.346 6.300 6.651 1.00 0.00 C ATOM 260 C PHE A 102 53.812 6.065 8.085 1.00 0.00 C ATOM 261 O PHE A 102 53.918 6.996 8.883 1.00 0.00 O ATOM 262 CB PHE A 102 54.484 5.965 5.686 1.00 0.00 C ATOM 263 CG PHE A 102 54.022 5.479 4.341 1.00 0.00 C ATOM 264 CD1 PHE A 102 54.713 4.474 3.683 1.00 0.00 C ATOM 265 CD2 PHE A 102 52.904 6.029 3.734 1.00 0.00 C ATOM 266 CE1 PHE A 102 54.297 4.026 2.444 1.00 0.00 C ATOM 267 CE2 PHE A 102 52.483 5.584 2.495 1.00 0.00 C ATOM 268 CZ PHE A 102 53.181 4.581 1.849 1.00 0.00 C ATOM 0 H PHE A 102 53.334 8.129 5.625 1.00 0.00 H new ATOM 0 HA PHE A 102 52.490 5.649 6.471 1.00 0.00 H new ATOM 0 HB2 PHE A 102 55.102 6.852 5.548 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.118 5.202 6.139 1.00 0.00 H new ATOM 0 HD1 PHE A 102 55.586 4.036 4.144 1.00 0.00 H new ATOM 0 HD2 PHE A 102 52.356 6.814 4.234 1.00 0.00 H new ATOM 0 HE1 PHE A 102 54.844 3.242 1.941 1.00 0.00 H new ATOM 0 HE2 PHE A 102 51.610 6.019 2.032 1.00 0.00 H new ATOM 0 HZ PHE A 102 52.854 4.232 0.881 1.00 0.00 H new ATOM 278 N PHE A 103 54.088 4.799 8.394 1.00 0.00 N ATOM 279 CA PHE A 103 54.546 4.395 9.720 1.00 0.00 C ATOM 280 C PHE A 103 55.788 5.182 10.131 1.00 0.00 C ATOM 281 O PHE A 103 56.866 4.996 9.570 1.00 0.00 O ATOM 282 CB PHE A 103 54.845 2.892 9.712 1.00 0.00 C ATOM 283 CG PHE A 103 54.807 2.234 11.063 1.00 0.00 C ATOM 284 CD1 PHE A 103 55.706 1.224 11.369 1.00 0.00 C ATOM 285 CD2 PHE A 103 53.874 2.607 12.018 1.00 0.00 C ATOM 286 CE1 PHE A 103 55.677 0.600 12.599 1.00 0.00 C ATOM 287 CE2 PHE A 103 53.842 1.986 13.253 1.00 0.00 C ATOM 288 CZ PHE A 103 54.745 0.980 13.542 1.00 0.00 C ATOM 0 H PHE A 103 54.000 4.027 7.733 1.00 0.00 H new ATOM 0 HA PHE A 103 53.762 4.608 10.447 1.00 0.00 H new ATOM 0 HB2 PHE A 103 54.124 2.396 9.062 1.00 0.00 H new ATOM 0 HB3 PHE A 103 55.831 2.734 9.274 1.00 0.00 H new ATOM 0 HD1 PHE A 103 56.438 0.922 10.635 1.00 0.00 H new ATOM 0 HD2 PHE A 103 53.165 3.391 11.795 1.00 0.00 H new ATOM 0 HE1 PHE A 103 56.384 -0.185 12.823 1.00 0.00 H new ATOM 0 HE2 PHE A 103 53.113 2.286 13.991 1.00 0.00 H new ATOM 0 HZ PHE A 103 54.721 0.492 14.505 1.00 0.00 H new ATOM 298 N SER A 104 55.625 6.066 11.110 1.00 0.00 N ATOM 299 CA SER A 104 56.730 6.887 11.593 1.00 0.00 C ATOM 300 C SER A 104 57.773 6.044 12.322 1.00 0.00 C ATOM 301 O SER A 104 58.941 6.422 12.404 1.00 0.00 O ATOM 302 CB SER A 104 56.207 7.983 12.523 1.00 0.00 C ATOM 303 OG SER A 104 55.487 7.429 13.611 1.00 0.00 O ATOM 0 H SER A 104 54.738 6.232 11.585 1.00 0.00 H new ATOM 0 HA SER A 104 57.208 7.345 10.727 1.00 0.00 H new ATOM 0 HB2 SER A 104 57.042 8.574 12.899 1.00 0.00 H new ATOM 0 HB3 SER A 104 55.562 8.661 11.964 1.00 0.00 H new ATOM 0 HG SER A 104 55.165 8.150 14.191 1.00 0.00 H new ATOM 309 N LYS A 105 57.345 4.903 12.854 1.00 0.00 N ATOM 310 CA LYS A 105 58.245 4.011 13.579 1.00 0.00 C ATOM 311 C LYS A 105 59.447 3.620 12.721 1.00 0.00 C ATOM 312 O LYS A 105 60.595 3.810 13.122 1.00 0.00 O ATOM 313 CB LYS A 105 57.494 2.758 14.033 1.00 0.00 C ATOM 314 CG LYS A 105 57.259 2.700 15.534 1.00 0.00 C ATOM 315 CD LYS A 105 56.862 1.302 15.985 1.00 0.00 C ATOM 316 CE LYS A 105 55.530 1.308 16.718 1.00 0.00 C ATOM 317 NZ LYS A 105 55.009 -0.070 16.935 1.00 0.00 N ATOM 0 H LYS A 105 56.381 4.574 12.797 1.00 0.00 H new ATOM 0 HA LYS A 105 58.614 4.545 14.455 1.00 0.00 H new ATOM 0 HB2 LYS A 105 56.533 2.715 13.521 1.00 0.00 H new ATOM 0 HB3 LYS A 105 58.057 1.876 13.727 1.00 0.00 H new ATOM 0 HG2 LYS A 105 58.164 3.008 16.057 1.00 0.00 H new ATOM 0 HG3 LYS A 105 56.476 3.407 15.808 1.00 0.00 H new ATOM 0 HD2 LYS A 105 56.798 0.644 15.118 1.00 0.00 H new ATOM 0 HD3 LYS A 105 57.635 0.896 16.637 1.00 0.00 H new ATOM 0 HE2 LYS A 105 55.647 1.807 17.680 1.00 0.00 H new ATOM 0 HE3 LYS A 105 54.803 1.885 16.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 53.989 -0.028 17.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 55.173 -0.641 16.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 55.501 -0.504 17.742 1.00 0.00 H new ATOM 331 N THR A 106 59.175 3.069 11.542 1.00 0.00 N ATOM 332 CA THR A 106 60.237 2.649 10.633 1.00 0.00 C ATOM 333 C THR A 106 60.303 3.557 9.408 1.00 0.00 C ATOM 334 O THR A 106 61.384 3.861 8.907 1.00 0.00 O ATOM 335 CB THR A 106 60.017 1.199 10.196 1.00 0.00 C ATOM 336 OG1 THR A 106 58.643 0.863 10.254 1.00 0.00 O ATOM 337 CG2 THR A 106 60.770 0.198 11.044 1.00 0.00 C ATOM 0 H THR A 106 58.231 2.903 11.194 1.00 0.00 H new ATOM 0 HA THR A 106 61.185 2.723 11.166 1.00 0.00 H new ATOM 0 HB THR A 106 60.396 1.143 9.175 1.00 0.00 H new ATOM 0 HG1 THR A 106 58.521 -0.067 9.970 1.00 0.00 H new ATOM 0 HG21 THR A 106 60.570 -0.810 10.681 1.00 0.00 H new ATOM 0 HG22 THR A 106 61.839 0.401 10.983 1.00 0.00 H new ATOM 0 HG23 THR A 106 60.444 0.281 12.081 1.00 0.00 H new ATOM 345 N LYS A 107 59.137 3.982 8.931 1.00 0.00 N ATOM 346 CA LYS A 107 59.054 4.854 7.760 1.00 0.00 C ATOM 347 C LYS A 107 59.435 4.107 6.482 1.00 0.00 C ATOM 348 O LYS A 107 59.608 4.717 5.427 1.00 0.00 O ATOM 349 CB LYS A 107 59.955 6.079 7.937 1.00 0.00 C ATOM 350 CG LYS A 107 59.485 7.298 7.158 1.00 0.00 C ATOM 351 CD LYS A 107 58.113 7.765 7.622 1.00 0.00 C ATOM 352 CE LYS A 107 58.190 9.109 8.330 1.00 0.00 C ATOM 353 NZ LYS A 107 58.612 10.199 7.408 1.00 0.00 N ATOM 0 H LYS A 107 58.234 3.737 9.337 1.00 0.00 H new ATOM 0 HA LYS A 107 58.019 5.184 7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 107 60.006 6.332 8.996 1.00 0.00 H new ATOM 0 HB3 LYS A 107 60.967 5.824 7.621 1.00 0.00 H new ATOM 0 HG2 LYS A 107 60.205 8.107 7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 107 59.448 7.059 6.095 1.00 0.00 H new ATOM 0 HD2 LYS A 107 57.445 7.843 6.764 1.00 0.00 H new ATOM 0 HD3 LYS A 107 57.683 7.023 8.295 1.00 0.00 H new ATOM 0 HE2 LYS A 107 57.217 9.351 8.756 1.00 0.00 H new ATOM 0 HE3 LYS A 107 58.894 9.042 9.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 58.865 11.043 7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 59.436 9.887 6.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 57.830 10.430 6.762 1.00 0.00 H new ATOM 367 N ARG A 108 59.556 2.784 6.579 1.00 0.00 N ATOM 368 CA ARG A 108 59.907 1.961 5.426 1.00 0.00 C ATOM 369 C ARG A 108 58.746 1.049 5.030 1.00 0.00 C ATOM 370 O ARG A 108 58.821 0.329 4.034 1.00 0.00 O ATOM 371 CB ARG A 108 61.152 1.125 5.729 1.00 0.00 C ATOM 372 CG ARG A 108 62.452 1.816 5.353 1.00 0.00 C ATOM 373 CD ARG A 108 63.622 1.281 6.162 1.00 0.00 C ATOM 374 NE ARG A 108 63.486 1.582 7.585 1.00 0.00 N ATOM 375 CZ ARG A 108 64.199 0.988 8.539 1.00 0.00 C ATOM 376 NH1 ARG A 108 65.097 0.062 8.227 1.00 0.00 N ATOM 377 NH2 ARG A 108 64.014 1.321 9.810 1.00 0.00 N ATOM 0 H ARG A 108 59.416 2.261 7.443 1.00 0.00 H new ATOM 0 HA ARG A 108 60.121 2.626 4.589 1.00 0.00 H new ATOM 0 HB2 ARG A 108 61.170 0.887 6.793 1.00 0.00 H new ATOM 0 HB3 ARG A 108 61.084 0.179 5.192 1.00 0.00 H new ATOM 0 HG2 ARG A 108 62.647 1.672 4.290 1.00 0.00 H new ATOM 0 HG3 ARG A 108 62.355 2.889 5.517 1.00 0.00 H new ATOM 0 HD2 ARG A 108 63.694 0.202 6.025 1.00 0.00 H new ATOM 0 HD3 ARG A 108 64.550 1.713 5.787 1.00 0.00 H new ATOM 0 HE ARG A 108 62.805 2.288 7.864 1.00 0.00 H new ATOM 0 HH11 ARG A 108 65.244 -0.198 7.252 1.00 0.00 H new ATOM 0 HH12 ARG A 108 65.640 -0.390 8.963 1.00 0.00 H new ATOM 0 HH21 ARG A 108 63.325 2.032 10.056 1.00 0.00 H new ATOM 0 HH22 ARG A 108 64.560 0.866 10.541 1.00 0.00 H new ATOM 391 N PHE A 109 57.670 1.091 5.814 1.00 0.00 N ATOM 392 CA PHE A 109 56.489 0.281 5.547 1.00 0.00 C ATOM 393 C PHE A 109 55.233 1.019 5.991 1.00 0.00 C ATOM 394 O PHE A 109 55.305 1.970 6.770 1.00 0.00 O ATOM 395 CB PHE A 109 56.579 -1.062 6.270 1.00 0.00 C ATOM 396 CG PHE A 109 57.779 -1.880 5.889 1.00 0.00 C ATOM 397 CD1 PHE A 109 58.007 -2.239 4.568 1.00 0.00 C ATOM 398 CD2 PHE A 109 58.677 -2.301 6.856 1.00 0.00 C ATOM 399 CE1 PHE A 109 59.103 -2.999 4.225 1.00 0.00 C ATOM 400 CE2 PHE A 109 59.777 -3.061 6.516 1.00 0.00 C ATOM 401 CZ PHE A 109 59.989 -3.411 5.198 1.00 0.00 C ATOM 0 H PHE A 109 57.595 1.681 6.642 1.00 0.00 H new ATOM 0 HA PHE A 109 56.438 0.098 4.474 1.00 0.00 H new ATOM 0 HB2 PHE A 109 56.600 -0.884 7.345 1.00 0.00 H new ATOM 0 HB3 PHE A 109 55.678 -1.638 6.060 1.00 0.00 H new ATOM 0 HD1 PHE A 109 57.318 -1.919 3.801 1.00 0.00 H new ATOM 0 HD2 PHE A 109 58.514 -2.031 7.889 1.00 0.00 H new ATOM 0 HE1 PHE A 109 59.269 -3.272 3.193 1.00 0.00 H new ATOM 0 HE2 PHE A 109 60.471 -3.381 7.279 1.00 0.00 H new ATOM 0 HZ PHE A 109 60.848 -4.007 4.929 1.00 0.00 H new ATOM 411 N CYS A 110 54.085 0.588 5.484 1.00 0.00 N ATOM 412 CA CYS A 110 52.817 1.222 5.820 1.00 0.00 C ATOM 413 C CYS A 110 52.223 0.656 7.115 1.00 0.00 C ATOM 414 O CYS A 110 51.012 0.725 7.324 1.00 0.00 O ATOM 415 CB CYS A 110 51.820 1.065 4.654 1.00 0.00 C ATOM 416 SG CYS A 110 50.982 -0.540 4.583 1.00 0.00 S ATOM 0 H CYS A 110 54.006 -0.198 4.839 1.00 0.00 H new ATOM 0 HA CYS A 110 53.008 2.282 5.986 1.00 0.00 H new ATOM 0 HB2 CYS A 110 51.067 1.849 4.730 1.00 0.00 H new ATOM 0 HB3 CYS A 110 52.352 1.223 3.716 1.00 0.00 H new ATOM 0 HG CYS A 110 50.485 -0.822 5.751 1.00 0.00 H new ATOM 421 N SER A 111 53.071 0.101 7.992 1.00 0.00 N ATOM 422 CA SER A 111 52.588 -0.457 9.257 1.00 0.00 C ATOM 423 C SER A 111 53.698 -1.168 10.045 1.00 0.00 C ATOM 424 O SER A 111 54.858 -1.205 9.634 1.00 0.00 O ATOM 425 CB SER A 111 51.412 -1.408 8.992 1.00 0.00 C ATOM 426 OG SER A 111 51.639 -2.695 9.535 1.00 0.00 O ATOM 0 H SER A 111 54.078 0.028 7.850 1.00 0.00 H new ATOM 0 HA SER A 111 52.249 0.373 9.876 1.00 0.00 H new ATOM 0 HB2 SER A 111 50.502 -0.988 9.422 1.00 0.00 H new ATOM 0 HB3 SER A 111 51.248 -1.491 7.918 1.00 0.00 H new ATOM 0 HG SER A 111 50.868 -3.270 9.347 1.00 0.00 H new ATOM 432 N VAL A 112 53.291 -1.767 11.162 1.00 0.00 N ATOM 433 CA VAL A 112 54.196 -2.537 12.020 1.00 0.00 C ATOM 434 C VAL A 112 54.192 -4.006 11.597 1.00 0.00 C ATOM 435 O VAL A 112 55.242 -4.605 11.279 1.00 0.00 O ATOM 436 CB VAL A 112 53.829 -2.410 13.518 1.00 0.00 C ATOM 437 CG1 VAL A 112 52.407 -2.878 13.784 1.00 0.00 C ATOM 438 CG2 VAL A 112 54.820 -3.183 14.376 1.00 0.00 C ATOM 0 H VAL A 112 52.329 -1.734 11.499 1.00 0.00 H new ATOM 0 HA VAL A 112 55.197 -2.124 11.896 1.00 0.00 H new ATOM 0 HB VAL A 112 53.884 -1.355 13.787 1.00 0.00 H new ATOM 0 HG11 VAL A 112 52.183 -2.775 14.846 1.00 0.00 H new ATOM 0 HG12 VAL A 112 51.710 -2.272 13.205 1.00 0.00 H new ATOM 0 HG13 VAL A 112 52.307 -3.923 13.492 1.00 0.00 H new ATOM 0 HG21 VAL A 112 54.547 -3.083 15.427 1.00 0.00 H new ATOM 0 HG22 VAL A 112 54.801 -4.236 14.095 1.00 0.00 H new ATOM 0 HG23 VAL A 112 55.823 -2.784 14.222 1.00 0.00 H new ATOM 448 N SER A 113 52.988 -4.571 11.558 1.00 0.00 N ATOM 449 CA SER A 113 52.805 -5.948 11.140 1.00 0.00 C ATOM 450 C SER A 113 53.167 -6.057 9.673 1.00 0.00 C ATOM 451 O SER A 113 53.607 -7.102 9.203 1.00 0.00 O ATOM 452 CB SER A 113 51.359 -6.394 11.368 1.00 0.00 C ATOM 453 OG SER A 113 50.446 -5.374 11.002 1.00 0.00 O ATOM 0 H SER A 113 52.125 -4.090 11.813 1.00 0.00 H new ATOM 0 HA SER A 113 53.449 -6.599 11.730 1.00 0.00 H new ATOM 0 HB2 SER A 113 51.157 -7.293 10.786 1.00 0.00 H new ATOM 0 HB3 SER A 113 51.217 -6.654 12.417 1.00 0.00 H new ATOM 0 HG SER A 113 49.529 -5.685 11.156 1.00 0.00 H new ATOM 459 N CYS A 114 53.005 -4.942 8.964 1.00 0.00 N ATOM 460 CA CYS A 114 53.341 -4.872 7.558 1.00 0.00 C ATOM 461 C CYS A 114 54.833 -5.096 7.401 1.00 0.00 C ATOM 462 O CYS A 114 55.280 -5.754 6.461 1.00 0.00 O ATOM 463 CB CYS A 114 52.944 -3.507 6.985 1.00 0.00 C ATOM 464 SG CYS A 114 52.953 -3.425 5.179 1.00 0.00 S ATOM 0 H CYS A 114 52.639 -4.072 9.351 1.00 0.00 H new ATOM 0 HA CYS A 114 52.796 -5.641 7.011 1.00 0.00 H new ATOM 0 HB2 CYS A 114 51.947 -3.252 7.343 1.00 0.00 H new ATOM 0 HB3 CYS A 114 53.626 -2.751 7.374 1.00 0.00 H new ATOM 0 HG CYS A 114 52.274 -2.387 4.788 1.00 0.00 H new ATOM 469 N SER A 115 55.604 -4.554 8.344 1.00 0.00 N ATOM 470 CA SER A 115 57.045 -4.718 8.307 1.00 0.00 C ATOM 471 C SER A 115 57.391 -6.177 8.566 1.00 0.00 C ATOM 472 O SER A 115 57.896 -6.875 7.668 1.00 0.00 O ATOM 473 CB SER A 115 57.706 -3.824 9.360 1.00 0.00 C ATOM 474 OG SER A 115 59.111 -3.782 9.185 1.00 0.00 O ATOM 0 H SER A 115 55.255 -4.006 9.130 1.00 0.00 H new ATOM 0 HA SER A 115 57.417 -4.427 7.325 1.00 0.00 H new ATOM 0 HB2 SER A 115 57.298 -2.815 9.293 1.00 0.00 H new ATOM 0 HB3 SER A 115 57.472 -4.197 10.357 1.00 0.00 H new ATOM 0 HG SER A 115 59.325 -3.269 8.378 1.00 0.00 H new ATOM 480 N ARG A 116 57.134 -6.666 9.787 1.00 0.00 N ATOM 481 CA ARG A 116 57.446 -8.056 10.109 1.00 0.00 C ATOM 482 C ARG A 116 56.787 -9.017 9.132 1.00 0.00 C ATOM 483 O ARG A 116 57.240 -10.151 8.960 1.00 0.00 O ATOM 484 CB ARG A 116 56.997 -8.381 11.535 1.00 0.00 C ATOM 485 CG ARG A 116 55.610 -7.854 11.875 1.00 0.00 C ATOM 486 CD ARG A 116 55.628 -7.015 13.145 1.00 0.00 C ATOM 487 NE ARG A 116 55.252 -7.796 14.323 1.00 0.00 N ATOM 488 CZ ARG A 116 54.063 -7.726 14.922 1.00 0.00 C ATOM 489 NH1 ARG A 116 53.119 -6.913 14.462 1.00 0.00 N ATOM 490 NH2 ARG A 116 53.815 -8.475 15.988 1.00 0.00 N ATOM 0 H ARG A 116 56.720 -6.130 10.550 1.00 0.00 H new ATOM 0 HA ARG A 116 58.526 -8.179 10.030 1.00 0.00 H new ATOM 0 HB2 ARG A 116 57.009 -9.462 11.673 1.00 0.00 H new ATOM 0 HB3 ARG A 116 57.717 -7.962 12.238 1.00 0.00 H new ATOM 0 HG2 ARG A 116 55.235 -7.254 11.046 1.00 0.00 H new ATOM 0 HG3 ARG A 116 54.922 -8.690 12.000 1.00 0.00 H new ATOM 0 HD2 ARG A 116 56.624 -6.598 13.290 1.00 0.00 H new ATOM 0 HD3 ARG A 116 54.943 -6.174 13.034 1.00 0.00 H new ATOM 0 HE ARG A 116 55.945 -8.436 14.712 1.00 0.00 H new ATOM 0 HH11 ARG A 116 53.300 -6.334 13.642 1.00 0.00 H new ATOM 0 HH12 ARG A 116 52.213 -6.868 14.929 1.00 0.00 H new ATOM 0 HH21 ARG A 116 54.533 -9.103 16.348 1.00 0.00 H new ATOM 0 HH22 ARG A 116 52.906 -8.423 16.448 1.00 0.00 H new ATOM 504 N SER A 117 55.742 -8.549 8.462 1.00 0.00 N ATOM 505 CA SER A 117 55.061 -9.365 7.478 1.00 0.00 C ATOM 506 C SER A 117 55.934 -9.464 6.245 1.00 0.00 C ATOM 507 O SER A 117 56.306 -10.556 5.817 1.00 0.00 O ATOM 508 CB SER A 117 53.700 -8.769 7.114 1.00 0.00 C ATOM 509 OG SER A 117 52.715 -9.125 8.068 1.00 0.00 O ATOM 0 H SER A 117 55.353 -7.614 8.584 1.00 0.00 H new ATOM 0 HA SER A 117 54.885 -10.357 7.895 1.00 0.00 H new ATOM 0 HB2 SER A 117 53.779 -7.683 7.056 1.00 0.00 H new ATOM 0 HB3 SER A 117 53.398 -9.120 6.127 1.00 0.00 H new ATOM 0 HG SER A 117 52.629 -8.409 8.732 1.00 0.00 H new ATOM 515 N TYR A 118 56.255 -8.308 5.671 1.00 0.00 N ATOM 516 CA TYR A 118 57.081 -8.244 4.479 1.00 0.00 C ATOM 517 C TYR A 118 58.332 -9.090 4.594 1.00 0.00 C ATOM 518 O TYR A 118 58.779 -9.661 3.600 1.00 0.00 O ATOM 519 CB TYR A 118 57.489 -6.802 4.193 1.00 0.00 C ATOM 520 CG TYR A 118 58.181 -6.618 2.861 1.00 0.00 C ATOM 521 CD1 TYR A 118 59.228 -5.722 2.732 1.00 0.00 C ATOM 522 CD2 TYR A 118 57.782 -7.327 1.734 1.00 0.00 C ATOM 523 CE1 TYR A 118 59.862 -5.531 1.523 1.00 0.00 C ATOM 524 CE2 TYR A 118 58.415 -7.146 0.518 1.00 0.00 C ATOM 525 CZ TYR A 118 59.454 -6.245 0.418 1.00 0.00 C ATOM 526 OH TYR A 118 60.085 -6.058 -0.790 1.00 0.00 O ATOM 0 H TYR A 118 55.951 -7.399 6.019 1.00 0.00 H new ATOM 0 HA TYR A 118 56.477 -8.638 3.662 1.00 0.00 H new ATOM 0 HB2 TYR A 118 56.601 -6.170 4.221 1.00 0.00 H new ATOM 0 HB3 TYR A 118 58.151 -6.457 4.987 1.00 0.00 H new ATOM 0 HD1 TYR A 118 59.555 -5.162 3.595 1.00 0.00 H new ATOM 0 HD2 TYR A 118 56.965 -8.030 1.809 1.00 0.00 H new ATOM 0 HE1 TYR A 118 60.675 -4.825 1.443 1.00 0.00 H new ATOM 0 HE2 TYR A 118 58.097 -7.707 -0.348 1.00 0.00 H new ATOM 0 HH TYR A 118 60.580 -5.213 -0.773 1.00 0.00 H new ATOM 536 N SER A 119 58.918 -9.177 5.784 1.00 0.00 N ATOM 537 CA SER A 119 60.131 -9.971 5.937 1.00 0.00 C ATOM 538 C SER A 119 59.808 -11.442 6.164 1.00 0.00 C ATOM 539 O SER A 119 60.183 -12.298 5.363 1.00 0.00 O ATOM 540 CB SER A 119 60.968 -9.437 7.101 1.00 0.00 C ATOM 541 OG SER A 119 62.249 -10.042 7.128 1.00 0.00 O ATOM 0 H SER A 119 58.585 -8.722 6.634 1.00 0.00 H new ATOM 0 HA SER A 119 60.702 -9.888 5.012 1.00 0.00 H new ATOM 0 HB2 SER A 119 61.075 -8.356 7.010 1.00 0.00 H new ATOM 0 HB3 SER A 119 60.452 -9.628 8.042 1.00 0.00 H new ATOM 0 HG SER A 119 62.765 -9.683 7.880 1.00 0.00 H new ATOM 547 N SER A 120 59.127 -11.733 7.264 1.00 0.00 N ATOM 548 CA SER A 120 58.773 -13.109 7.599 1.00 0.00 C ATOM 549 C SER A 120 57.938 -13.756 6.500 1.00 0.00 C ATOM 550 O SER A 120 58.288 -14.819 5.987 1.00 0.00 O ATOM 551 CB SER A 120 58.010 -13.150 8.925 1.00 0.00 C ATOM 552 OG SER A 120 58.878 -12.915 10.020 1.00 0.00 O ATOM 0 H SER A 120 58.809 -11.038 7.939 1.00 0.00 H new ATOM 0 HA SER A 120 59.699 -13.675 7.696 1.00 0.00 H new ATOM 0 HB2 SER A 120 57.219 -12.400 8.916 1.00 0.00 H new ATOM 0 HB3 SER A 120 57.528 -14.121 9.041 1.00 0.00 H new ATOM 0 HG SER A 120 58.366 -12.945 10.855 1.00 0.00 H new ATOM 558 N ASN A 121 56.831 -13.115 6.144 1.00 0.00 N ATOM 559 CA ASN A 121 55.948 -13.638 5.109 1.00 0.00 C ATOM 560 C ASN A 121 56.399 -13.187 3.724 1.00 0.00 C ATOM 561 O ASN A 121 56.578 -14.006 2.822 1.00 0.00 O ATOM 562 CB ASN A 121 54.507 -13.189 5.362 1.00 0.00 C ATOM 563 CG ASN A 121 53.510 -13.932 4.494 1.00 0.00 C ATOM 564 OD1 ASN A 121 53.042 -15.013 4.852 1.00 0.00 O ATOM 565 ND2 ASN A 121 53.180 -13.354 3.346 1.00 0.00 N ATOM 0 H ASN A 121 56.524 -12.234 6.556 1.00 0.00 H new ATOM 0 HA ASN A 121 55.994 -14.726 5.147 1.00 0.00 H new ATOM 0 HB2 ASN A 121 54.259 -13.346 6.412 1.00 0.00 H new ATOM 0 HB3 ASN A 121 54.424 -12.119 5.172 1.00 0.00 H new ATOM 0 HD21 ASN A 121 52.514 -13.806 2.720 1.00 0.00 H new ATOM 0 HD22 ASN A 121 53.593 -12.457 3.089 1.00 0.00 H new