USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=15 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 90 CYS SG : rot 148:sc= 1.6 USER MOD Set 1.2: A 93 CYS SG : rot 65:sc= 0.202 USER MOD Set 1.3: A 110 CYS SG : rot 180:sc= 0.795 USER MOD Set 1.4: A 111 SER OG : rot -75:sc= 0.567 USER MOD Set 1.5: A 114 CYS SG : rot 147:sc= 0.502 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -160:sc= -0.0878 (180deg=-0.388) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 90:sc= 0.0165 USER MOD Single : A 118 TYR OH : rot 180:sc= 0 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= -0.0322 K(o=-0.032,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 39 N GLU A 86 57.915 14.560 1.682 1.00 0.00 N ATOM 40 CA GLU A 86 58.550 13.652 0.733 1.00 0.00 C ATOM 41 C GLU A 86 57.731 12.371 0.578 1.00 0.00 C ATOM 42 O GLU A 86 57.146 11.878 1.543 1.00 0.00 O ATOM 43 CB GLU A 86 59.977 13.318 1.178 1.00 0.00 C ATOM 44 CG GLU A 86 60.076 12.819 2.610 1.00 0.00 C ATOM 45 CD GLU A 86 61.511 12.693 3.082 1.00 0.00 C ATOM 46 OE1 GLU A 86 62.220 11.789 2.593 1.00 0.00 O ATOM 47 OE2 GLU A 86 61.927 13.500 3.940 1.00 0.00 O ATOM 0 HA GLU A 86 58.595 14.152 -0.235 1.00 0.00 H new ATOM 0 HB2 GLU A 86 60.387 12.560 0.511 1.00 0.00 H new ATOM 0 HB3 GLU A 86 60.598 14.207 1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 86 59.539 13.503 3.268 1.00 0.00 H new ATOM 0 HG3 GLU A 86 59.584 11.849 2.688 1.00 0.00 H new ATOM 54 N PRO A 87 57.665 11.822 -0.649 1.00 0.00 N ATOM 55 CA PRO A 87 56.900 10.605 -0.933 1.00 0.00 C ATOM 56 C PRO A 87 57.653 9.324 -0.584 1.00 0.00 C ATOM 57 O PRO A 87 58.789 9.119 -1.013 1.00 0.00 O ATOM 58 CB PRO A 87 56.681 10.695 -2.440 1.00 0.00 C ATOM 59 CG PRO A 87 57.890 11.402 -2.950 1.00 0.00 C ATOM 60 CD PRO A 87 58.318 12.354 -1.862 1.00 0.00 C ATOM 0 HA PRO A 87 55.987 10.552 -0.341 1.00 0.00 H new ATOM 0 HB2 PRO A 87 56.582 9.706 -2.887 1.00 0.00 H new ATOM 0 HB3 PRO A 87 55.770 11.245 -2.677 1.00 0.00 H new ATOM 0 HG2 PRO A 87 58.685 10.694 -3.181 1.00 0.00 H new ATOM 0 HG3 PRO A 87 57.665 11.940 -3.871 1.00 0.00 H new ATOM 0 HD2 PRO A 87 59.402 12.377 -1.755 1.00 0.00 H new ATOM 0 HD3 PRO A 87 57.997 13.374 -2.074 1.00 0.00 H new ATOM 68 N ALA A 88 56.998 8.456 0.180 1.00 0.00 N ATOM 69 CA ALA A 88 57.578 7.179 0.574 1.00 0.00 C ATOM 70 C ALA A 88 56.914 6.049 -0.202 1.00 0.00 C ATOM 71 O ALA A 88 55.910 6.266 -0.876 1.00 0.00 O ATOM 72 CB ALA A 88 57.423 6.963 2.072 1.00 0.00 C ATOM 0 H ALA A 88 56.058 8.617 0.541 1.00 0.00 H new ATOM 0 HA ALA A 88 58.643 7.187 0.341 1.00 0.00 H new ATOM 0 HB1 ALA A 88 57.862 6.004 2.349 1.00 0.00 H new ATOM 0 HB2 ALA A 88 57.931 7.763 2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 88 56.365 6.966 2.332 1.00 0.00 H new ATOM 78 N VAL A 89 57.466 4.846 -0.114 1.00 0.00 N ATOM 79 CA VAL A 89 56.899 3.709 -0.829 1.00 0.00 C ATOM 80 C VAL A 89 56.913 2.442 0.016 1.00 0.00 C ATOM 81 O VAL A 89 57.957 2.034 0.524 1.00 0.00 O ATOM 82 CB VAL A 89 57.657 3.441 -2.143 1.00 0.00 C ATOM 83 CG1 VAL A 89 56.953 2.368 -2.961 1.00 0.00 C ATOM 84 CG2 VAL A 89 57.799 4.725 -2.945 1.00 0.00 C ATOM 0 H VAL A 89 58.296 4.633 0.439 1.00 0.00 H new ATOM 0 HA VAL A 89 55.865 3.972 -1.052 1.00 0.00 H new ATOM 0 HB VAL A 89 58.655 3.078 -1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 89 57.505 2.194 -3.885 1.00 0.00 H new ATOM 0 HG12 VAL A 89 56.908 1.443 -2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 89 55.941 2.697 -3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 89 58.337 4.518 -3.870 1.00 0.00 H new ATOM 0 HG22 VAL A 89 56.810 5.118 -3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 89 58.352 5.460 -2.360 1.00 0.00 H new ATOM 94 N CYS A 90 55.748 1.818 0.151 1.00 0.00 N ATOM 95 CA CYS A 90 55.631 0.586 0.923 1.00 0.00 C ATOM 96 C CYS A 90 56.134 -0.601 0.109 1.00 0.00 C ATOM 97 O CYS A 90 55.560 -0.948 -0.923 1.00 0.00 O ATOM 98 CB CYS A 90 54.182 0.351 1.350 1.00 0.00 C ATOM 99 SG CYS A 90 53.974 -1.014 2.517 1.00 0.00 S ATOM 0 H CYS A 90 54.874 2.143 -0.262 1.00 0.00 H new ATOM 0 HA CYS A 90 56.245 0.686 1.818 1.00 0.00 H new ATOM 0 HB2 CYS A 90 53.794 1.264 1.801 1.00 0.00 H new ATOM 0 HB3 CYS A 90 53.580 0.153 0.463 1.00 0.00 H new ATOM 0 HG CYS A 90 52.982 -0.755 3.316 1.00 0.00 H new ATOM 104 N GLU A 91 57.220 -1.207 0.570 1.00 0.00 N ATOM 105 CA GLU A 91 57.821 -2.344 -0.118 1.00 0.00 C ATOM 106 C GLU A 91 56.888 -3.554 -0.160 1.00 0.00 C ATOM 107 O GLU A 91 57.092 -4.469 -0.958 1.00 0.00 O ATOM 108 CB GLU A 91 59.130 -2.732 0.570 1.00 0.00 C ATOM 109 CG GLU A 91 60.130 -1.592 0.661 1.00 0.00 C ATOM 110 CD GLU A 91 60.948 -1.432 -0.606 1.00 0.00 C ATOM 111 OE1 GLU A 91 61.776 -2.321 -0.894 1.00 0.00 O ATOM 112 OE2 GLU A 91 60.759 -0.417 -1.310 1.00 0.00 O ATOM 0 H GLU A 91 57.706 -0.929 1.423 1.00 0.00 H new ATOM 0 HA GLU A 91 58.012 -2.038 -1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 91 58.910 -3.092 1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 91 59.585 -3.561 0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 91 59.598 -0.663 0.866 1.00 0.00 H new ATOM 0 HG3 GLU A 91 60.800 -1.768 1.502 1.00 0.00 H new ATOM 119 N MET A 92 55.882 -3.575 0.710 1.00 0.00 N ATOM 120 CA MET A 92 54.957 -4.705 0.763 1.00 0.00 C ATOM 121 C MET A 92 53.703 -4.474 -0.080 1.00 0.00 C ATOM 122 O MET A 92 53.395 -5.265 -0.972 1.00 0.00 O ATOM 123 CB MET A 92 54.559 -4.986 2.213 1.00 0.00 C ATOM 124 CG MET A 92 53.935 -6.356 2.417 1.00 0.00 C ATOM 125 SD MET A 92 55.166 -7.666 2.559 1.00 0.00 S ATOM 126 CE MET A 92 54.287 -9.037 1.812 1.00 0.00 C ATOM 0 H MET A 92 55.687 -2.832 1.381 1.00 0.00 H new ATOM 0 HA MET A 92 55.477 -5.566 0.344 1.00 0.00 H new ATOM 0 HB2 MET A 92 55.442 -4.900 2.847 1.00 0.00 H new ATOM 0 HB3 MET A 92 53.854 -4.222 2.542 1.00 0.00 H new ATOM 0 HG2 MET A 92 53.321 -6.341 3.317 1.00 0.00 H new ATOM 0 HG3 MET A 92 53.270 -6.576 1.582 1.00 0.00 H new ATOM 0 HE1 MET A 92 54.919 -9.925 1.825 1.00 0.00 H new ATOM 0 HE2 MET A 92 53.374 -9.234 2.374 1.00 0.00 H new ATOM 0 HE3 MET A 92 54.032 -8.788 0.782 1.00 0.00 H new ATOM 136 N CYS A 93 52.965 -3.410 0.220 1.00 0.00 N ATOM 137 CA CYS A 93 51.729 -3.107 -0.496 1.00 0.00 C ATOM 138 C CYS A 93 51.974 -2.255 -1.738 1.00 0.00 C ATOM 139 O CYS A 93 51.179 -2.282 -2.678 1.00 0.00 O ATOM 140 CB CYS A 93 50.750 -2.383 0.433 1.00 0.00 C ATOM 141 SG CYS A 93 50.625 -3.102 2.089 1.00 0.00 S ATOM 0 H CYS A 93 53.201 -2.742 0.954 1.00 0.00 H new ATOM 0 HA CYS A 93 51.305 -4.057 -0.822 1.00 0.00 H new ATOM 0 HB2 CYS A 93 51.057 -1.341 0.524 1.00 0.00 H new ATOM 0 HB3 CYS A 93 49.762 -2.385 -0.027 1.00 0.00 H new ATOM 0 HG CYS A 93 51.762 -2.972 2.706 1.00 0.00 H new ATOM 146 N GLY A 94 53.062 -1.492 -1.743 1.00 0.00 N ATOM 147 CA GLY A 94 53.358 -0.642 -2.883 1.00 0.00 C ATOM 148 C GLY A 94 52.575 0.655 -2.850 1.00 0.00 C ATOM 149 O GLY A 94 52.386 1.302 -3.880 1.00 0.00 O ATOM 0 H GLY A 94 53.741 -1.446 -0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 94 54.425 -0.420 -2.901 1.00 0.00 H new ATOM 0 HA3 GLY A 94 53.129 -1.179 -3.803 1.00 0.00 H new ATOM 153 N ILE A 95 52.128 1.039 -1.659 1.00 0.00 N ATOM 154 CA ILE A 95 51.372 2.270 -1.486 1.00 0.00 C ATOM 155 C ILE A 95 52.309 3.435 -1.205 1.00 0.00 C ATOM 156 O ILE A 95 53.170 3.354 -0.329 1.00 0.00 O ATOM 157 CB ILE A 95 50.357 2.147 -0.333 1.00 0.00 C ATOM 158 CG1 ILE A 95 49.487 0.902 -0.519 1.00 0.00 C ATOM 159 CG2 ILE A 95 49.491 3.396 -0.249 1.00 0.00 C ATOM 160 CD1 ILE A 95 48.604 0.958 -1.746 1.00 0.00 C ATOM 0 H ILE A 95 52.278 0.513 -0.798 1.00 0.00 H new ATOM 0 HA ILE A 95 50.829 2.452 -2.413 1.00 0.00 H new ATOM 0 HB ILE A 95 50.907 2.047 0.603 1.00 0.00 H new ATOM 0 HG12 ILE A 95 50.131 0.025 -0.585 1.00 0.00 H new ATOM 0 HG13 ILE A 95 48.861 0.772 0.363 1.00 0.00 H new ATOM 0 HG21 ILE A 95 48.780 3.291 0.571 1.00 0.00 H new ATOM 0 HG22 ILE A 95 50.123 4.266 -0.072 1.00 0.00 H new ATOM 0 HG23 ILE A 95 48.948 3.526 -1.185 1.00 0.00 H new ATOM 0 HD11 ILE A 95 48.016 0.043 -1.813 1.00 0.00 H new ATOM 0 HD12 ILE A 95 47.934 1.815 -1.673 1.00 0.00 H new ATOM 0 HD13 ILE A 95 49.225 1.057 -2.637 1.00 0.00 H new ATOM 172 N VAL A 96 52.154 4.508 -1.968 1.00 0.00 N ATOM 173 CA VAL A 96 52.999 5.681 -1.811 1.00 0.00 C ATOM 174 C VAL A 96 52.262 6.802 -1.085 1.00 0.00 C ATOM 175 O VAL A 96 51.110 7.104 -1.395 1.00 0.00 O ATOM 176 CB VAL A 96 53.483 6.197 -3.179 1.00 0.00 C ATOM 177 CG1 VAL A 96 54.618 7.188 -3.002 1.00 0.00 C ATOM 178 CG2 VAL A 96 53.916 5.041 -4.069 1.00 0.00 C ATOM 0 H VAL A 96 51.450 4.589 -2.702 1.00 0.00 H new ATOM 0 HA VAL A 96 53.860 5.379 -1.214 1.00 0.00 H new ATOM 0 HB VAL A 96 52.652 6.708 -3.665 1.00 0.00 H new ATOM 0 HG11 VAL A 96 54.947 7.542 -3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 96 54.273 8.034 -2.407 1.00 0.00 H new ATOM 0 HG13 VAL A 96 55.450 6.701 -2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 96 54.254 5.429 -5.030 1.00 0.00 H new ATOM 0 HG22 VAL A 96 54.731 4.498 -3.590 1.00 0.00 H new ATOM 0 HG23 VAL A 96 53.074 4.367 -4.226 1.00 0.00 H new ATOM 188 N GLY A 97 52.938 7.417 -0.119 1.00 0.00 N ATOM 189 CA GLY A 97 52.338 8.502 0.638 1.00 0.00 C ATOM 190 C GLY A 97 53.372 9.501 1.122 1.00 0.00 C ATOM 191 O GLY A 97 54.525 9.454 0.703 1.00 0.00 O ATOM 0 H GLY A 97 53.893 7.183 0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 97 51.603 9.014 0.017 1.00 0.00 H new ATOM 0 HA3 GLY A 97 51.802 8.093 1.494 1.00 0.00 H new ATOM 195 N THR A 98 52.963 10.404 2.006 1.00 0.00 N ATOM 196 CA THR A 98 53.874 11.411 2.544 1.00 0.00 C ATOM 197 C THR A 98 54.461 10.953 3.877 1.00 0.00 C ATOM 198 O THR A 98 53.756 10.399 4.718 1.00 0.00 O ATOM 199 CB THR A 98 53.149 12.746 2.724 1.00 0.00 C ATOM 200 OG1 THR A 98 52.144 12.641 3.717 1.00 0.00 O ATOM 201 CG2 THR A 98 52.491 13.245 1.455 1.00 0.00 C ATOM 0 H THR A 98 52.010 10.461 2.365 1.00 0.00 H new ATOM 0 HA THR A 98 54.689 11.544 1.833 1.00 0.00 H new ATOM 0 HB THR A 98 53.921 13.457 3.018 1.00 0.00 H new ATOM 0 HG1 THR A 98 51.693 13.505 3.819 1.00 0.00 H new ATOM 0 HG21 THR A 98 51.995 14.195 1.652 1.00 0.00 H new ATOM 0 HG22 THR A 98 53.248 13.384 0.683 1.00 0.00 H new ATOM 0 HG23 THR A 98 51.756 12.515 1.115 1.00 0.00 H new ATOM 209 N ARG A 99 55.762 11.174 4.053 1.00 0.00 N ATOM 210 CA ARG A 99 56.466 10.776 5.273 1.00 0.00 C ATOM 211 C ARG A 99 55.675 11.105 6.541 1.00 0.00 C ATOM 212 O ARG A 99 55.658 10.318 7.487 1.00 0.00 O ATOM 213 CB ARG A 99 57.831 11.463 5.326 1.00 0.00 C ATOM 214 CG ARG A 99 58.852 10.729 6.180 1.00 0.00 C ATOM 215 CD ARG A 99 60.249 10.820 5.586 1.00 0.00 C ATOM 216 NE ARG A 99 60.870 9.506 5.437 1.00 0.00 N ATOM 217 CZ ARG A 99 60.702 8.719 4.377 1.00 0.00 C ATOM 218 NH1 ARG A 99 59.923 9.100 3.371 1.00 0.00 N ATOM 219 NH2 ARG A 99 61.314 7.543 4.323 1.00 0.00 N ATOM 0 H ARG A 99 56.355 11.631 3.360 1.00 0.00 H new ATOM 0 HA ARG A 99 56.588 9.693 5.239 1.00 0.00 H new ATOM 0 HB2 ARG A 99 58.220 11.558 4.312 1.00 0.00 H new ATOM 0 HB3 ARG A 99 57.704 12.473 5.715 1.00 0.00 H new ATOM 0 HG2 ARG A 99 58.856 11.150 7.186 1.00 0.00 H new ATOM 0 HG3 ARG A 99 58.563 9.682 6.274 1.00 0.00 H new ATOM 0 HD2 ARG A 99 60.197 11.308 4.613 1.00 0.00 H new ATOM 0 HD3 ARG A 99 60.874 11.445 6.224 1.00 0.00 H new ATOM 0 HE ARG A 99 61.469 9.171 6.192 1.00 0.00 H new ATOM 0 HH11 ARG A 99 59.448 10.002 3.407 1.00 0.00 H new ATOM 0 HH12 ARG A 99 59.800 8.491 2.562 1.00 0.00 H new ATOM 0 HH21 ARG A 99 61.912 7.243 5.093 1.00 0.00 H new ATOM 0 HH22 ARG A 99 61.186 6.938 3.511 1.00 0.00 H new ATOM 233 N GLU A 100 55.037 12.272 6.567 1.00 0.00 N ATOM 234 CA GLU A 100 54.267 12.696 7.736 1.00 0.00 C ATOM 235 C GLU A 100 52.935 11.950 7.856 1.00 0.00 C ATOM 236 O GLU A 100 52.140 12.233 8.752 1.00 0.00 O ATOM 237 CB GLU A 100 54.012 14.202 7.677 1.00 0.00 C ATOM 238 CG GLU A 100 55.278 15.038 7.778 1.00 0.00 C ATOM 239 CD GLU A 100 55.421 16.022 6.633 1.00 0.00 C ATOM 240 OE1 GLU A 100 54.627 16.985 6.575 1.00 0.00 O ATOM 241 OE2 GLU A 100 56.327 15.831 5.795 1.00 0.00 O ATOM 0 H GLU A 100 55.037 12.940 5.796 1.00 0.00 H new ATOM 0 HA GLU A 100 54.860 12.454 8.618 1.00 0.00 H new ATOM 0 HB2 GLU A 100 53.503 14.440 6.743 1.00 0.00 H new ATOM 0 HB3 GLU A 100 53.337 14.480 8.487 1.00 0.00 H new ATOM 0 HG2 GLU A 100 55.275 15.583 8.722 1.00 0.00 H new ATOM 0 HG3 GLU A 100 56.145 14.377 7.795 1.00 0.00 H new ATOM 248 N ALA A 101 52.693 11.000 6.958 1.00 0.00 N ATOM 249 CA ALA A 101 51.457 10.227 6.983 1.00 0.00 C ATOM 250 C ALA A 101 51.736 8.733 7.132 1.00 0.00 C ATOM 251 O ALA A 101 50.914 7.990 7.668 1.00 0.00 O ATOM 252 CB ALA A 101 50.648 10.489 5.721 1.00 0.00 C ATOM 0 H ALA A 101 53.335 10.748 6.206 1.00 0.00 H new ATOM 0 HA ALA A 101 50.879 10.547 7.850 1.00 0.00 H new ATOM 0 HB1 ALA A 101 49.727 9.906 5.751 1.00 0.00 H new ATOM 0 HB2 ALA A 101 50.404 11.550 5.659 1.00 0.00 H new ATOM 0 HB3 ALA A 101 51.232 10.199 4.848 1.00 0.00 H new ATOM 258 N PHE A 102 52.892 8.298 6.643 1.00 0.00 N ATOM 259 CA PHE A 102 53.271 6.892 6.711 1.00 0.00 C ATOM 260 C PHE A 102 53.793 6.511 8.095 1.00 0.00 C ATOM 261 O PHE A 102 54.172 7.371 8.890 1.00 0.00 O ATOM 262 CB PHE A 102 54.330 6.582 5.650 1.00 0.00 C ATOM 263 CG PHE A 102 53.819 5.714 4.538 1.00 0.00 C ATOM 264 CD1 PHE A 102 54.418 4.497 4.259 1.00 0.00 C ATOM 265 CD2 PHE A 102 52.736 6.116 3.774 1.00 0.00 C ATOM 266 CE1 PHE A 102 53.946 3.696 3.238 1.00 0.00 C ATOM 267 CE2 PHE A 102 52.259 5.319 2.751 1.00 0.00 C ATOM 268 CZ PHE A 102 52.865 4.107 2.484 1.00 0.00 C ATOM 0 H PHE A 102 53.583 8.900 6.195 1.00 0.00 H new ATOM 0 HA PHE A 102 52.377 6.299 6.519 1.00 0.00 H new ATOM 0 HB2 PHE A 102 54.699 7.518 5.231 1.00 0.00 H new ATOM 0 HB3 PHE A 102 55.178 6.089 6.126 1.00 0.00 H new ATOM 0 HD1 PHE A 102 55.264 4.171 4.846 1.00 0.00 H new ATOM 0 HD2 PHE A 102 52.259 7.063 3.980 1.00 0.00 H new ATOM 0 HE1 PHE A 102 54.422 2.749 3.030 1.00 0.00 H new ATOM 0 HE2 PHE A 102 51.414 5.643 2.161 1.00 0.00 H new ATOM 0 HZ PHE A 102 52.494 3.481 1.686 1.00 0.00 H new ATOM 278 N PHE A 103 53.799 5.207 8.368 1.00 0.00 N ATOM 279 CA PHE A 103 54.262 4.677 9.650 1.00 0.00 C ATOM 280 C PHE A 103 55.564 5.345 10.087 1.00 0.00 C ATOM 281 O PHE A 103 56.629 5.079 9.532 1.00 0.00 O ATOM 282 CB PHE A 103 54.464 3.164 9.538 1.00 0.00 C ATOM 283 CG PHE A 103 54.391 2.434 10.850 1.00 0.00 C ATOM 284 CD1 PHE A 103 55.286 1.414 11.135 1.00 0.00 C ATOM 285 CD2 PHE A 103 53.429 2.760 11.793 1.00 0.00 C ATOM 286 CE1 PHE A 103 55.223 0.734 12.335 1.00 0.00 C ATOM 287 CE2 PHE A 103 53.363 2.082 12.997 1.00 0.00 C ATOM 288 CZ PHE A 103 54.261 1.068 13.267 1.00 0.00 C ATOM 0 H PHE A 103 53.485 4.492 7.712 1.00 0.00 H new ATOM 0 HA PHE A 103 53.504 4.891 10.403 1.00 0.00 H new ATOM 0 HB2 PHE A 103 53.709 2.757 8.866 1.00 0.00 H new ATOM 0 HB3 PHE A 103 55.435 2.971 9.081 1.00 0.00 H new ATOM 0 HD1 PHE A 103 56.041 1.148 10.410 1.00 0.00 H new ATOM 0 HD2 PHE A 103 52.724 3.551 11.586 1.00 0.00 H new ATOM 0 HE1 PHE A 103 55.926 -0.059 12.544 1.00 0.00 H new ATOM 0 HE2 PHE A 103 52.610 2.345 13.725 1.00 0.00 H new ATOM 0 HZ PHE A 103 54.211 0.537 14.206 1.00 0.00 H new ATOM 298 N SER A 104 55.464 6.219 11.084 1.00 0.00 N ATOM 299 CA SER A 104 56.625 6.937 11.598 1.00 0.00 C ATOM 300 C SER A 104 57.653 5.982 12.201 1.00 0.00 C ATOM 301 O SER A 104 58.841 6.297 12.261 1.00 0.00 O ATOM 302 CB SER A 104 56.190 7.962 12.646 1.00 0.00 C ATOM 303 OG SER A 104 55.256 8.880 12.106 1.00 0.00 O ATOM 0 H SER A 104 54.588 6.447 11.553 1.00 0.00 H new ATOM 0 HA SER A 104 57.094 7.452 10.760 1.00 0.00 H new ATOM 0 HB2 SER A 104 55.748 7.448 13.500 1.00 0.00 H new ATOM 0 HB3 SER A 104 57.062 8.501 13.016 1.00 0.00 H new ATOM 0 HG SER A 104 54.993 9.523 12.797 1.00 0.00 H new ATOM 309 N LYS A 105 57.193 4.818 12.652 1.00 0.00 N ATOM 310 CA LYS A 105 58.081 3.826 13.254 1.00 0.00 C ATOM 311 C LYS A 105 59.277 3.537 12.350 1.00 0.00 C ATOM 312 O LYS A 105 60.426 3.747 12.739 1.00 0.00 O ATOM 313 CB LYS A 105 57.320 2.530 13.536 1.00 0.00 C ATOM 314 CG LYS A 105 57.859 1.756 14.729 1.00 0.00 C ATOM 315 CD LYS A 105 56.751 1.385 15.704 1.00 0.00 C ATOM 316 CE LYS A 105 56.934 -0.023 16.246 1.00 0.00 C ATOM 317 NZ LYS A 105 55.650 -0.606 16.724 1.00 0.00 N ATOM 0 H LYS A 105 56.213 4.538 12.612 1.00 0.00 H new ATOM 0 HA LYS A 105 58.450 4.236 14.194 1.00 0.00 H new ATOM 0 HB2 LYS A 105 56.270 2.765 13.710 1.00 0.00 H new ATOM 0 HB3 LYS A 105 57.362 1.894 12.652 1.00 0.00 H new ATOM 0 HG2 LYS A 105 58.356 0.851 14.381 1.00 0.00 H new ATOM 0 HG3 LYS A 105 58.611 2.355 15.243 1.00 0.00 H new ATOM 0 HD2 LYS A 105 56.739 2.095 16.531 1.00 0.00 H new ATOM 0 HD3 LYS A 105 55.785 1.461 15.205 1.00 0.00 H new ATOM 0 HE2 LYS A 105 57.354 -0.660 15.467 1.00 0.00 H new ATOM 0 HE3 LYS A 105 57.652 -0.006 17.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 55.818 -1.566 17.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 55.261 -0.013 17.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 54.972 -0.647 15.936 1.00 0.00 H new ATOM 331 N THR A 106 58.998 3.053 11.144 1.00 0.00 N ATOM 332 CA THR A 106 60.052 2.736 10.187 1.00 0.00 C ATOM 333 C THR A 106 59.990 3.667 8.980 1.00 0.00 C ATOM 334 O THR A 106 61.022 4.058 8.436 1.00 0.00 O ATOM 335 CB THR A 106 59.933 1.281 9.730 1.00 0.00 C ATOM 336 OG1 THR A 106 58.573 0.894 9.637 1.00 0.00 O ATOM 337 CG2 THR A 106 60.627 0.305 10.654 1.00 0.00 C ATOM 0 H THR A 106 58.053 2.872 10.807 1.00 0.00 H new ATOM 0 HA THR A 106 61.013 2.877 10.682 1.00 0.00 H new ATOM 0 HB THR A 106 60.421 1.243 8.756 1.00 0.00 H new ATOM 0 HG1 THR A 106 58.518 -0.039 9.342 1.00 0.00 H new ATOM 0 HG21 THR A 106 60.504 -0.708 10.272 1.00 0.00 H new ATOM 0 HG22 THR A 106 61.689 0.546 10.707 1.00 0.00 H new ATOM 0 HG23 THR A 106 60.189 0.373 11.650 1.00 0.00 H new ATOM 345 N LYS A 107 58.769 4.013 8.568 1.00 0.00 N ATOM 346 CA LYS A 107 58.545 4.900 7.423 1.00 0.00 C ATOM 347 C LYS A 107 58.566 4.128 6.104 1.00 0.00 C ATOM 348 O LYS A 107 57.836 4.464 5.171 1.00 0.00 O ATOM 349 CB LYS A 107 59.580 6.030 7.388 1.00 0.00 C ATOM 350 CG LYS A 107 58.976 7.396 7.107 1.00 0.00 C ATOM 351 CD LYS A 107 57.985 7.802 8.188 1.00 0.00 C ATOM 352 CE LYS A 107 58.551 8.894 9.083 1.00 0.00 C ATOM 353 NZ LYS A 107 59.898 8.538 9.609 1.00 0.00 N ATOM 0 H LYS A 107 57.911 3.689 9.015 1.00 0.00 H new ATOM 0 HA LYS A 107 57.555 5.339 7.546 1.00 0.00 H new ATOM 0 HB2 LYS A 107 60.103 6.062 8.344 1.00 0.00 H new ATOM 0 HB3 LYS A 107 60.325 5.807 6.624 1.00 0.00 H new ATOM 0 HG2 LYS A 107 59.770 8.140 7.043 1.00 0.00 H new ATOM 0 HG3 LYS A 107 58.474 7.381 6.139 1.00 0.00 H new ATOM 0 HD2 LYS A 107 57.063 8.152 7.724 1.00 0.00 H new ATOM 0 HD3 LYS A 107 57.728 6.932 8.792 1.00 0.00 H new ATOM 0 HE2 LYS A 107 58.615 9.826 8.522 1.00 0.00 H new ATOM 0 HE3 LYS A 107 57.871 9.070 9.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 60.104 9.111 10.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 59.916 7.530 9.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 60.616 8.724 8.880 1.00 0.00 H new ATOM 367 N ARG A 108 59.399 3.095 6.029 1.00 0.00 N ATOM 368 CA ARG A 108 59.500 2.284 4.822 1.00 0.00 C ATOM 369 C ARG A 108 58.173 1.594 4.524 1.00 0.00 C ATOM 370 O ARG A 108 57.655 1.677 3.410 1.00 0.00 O ATOM 371 CB ARG A 108 60.611 1.244 4.975 1.00 0.00 C ATOM 372 CG ARG A 108 62.007 1.819 4.788 1.00 0.00 C ATOM 373 CD ARG A 108 62.945 1.384 5.903 1.00 0.00 C ATOM 374 NE ARG A 108 63.229 -0.048 5.849 1.00 0.00 N ATOM 375 CZ ARG A 108 64.263 -0.622 6.460 1.00 0.00 C ATOM 376 NH1 ARG A 108 65.110 0.110 7.174 1.00 0.00 N ATOM 377 NH2 ARG A 108 64.450 -1.930 6.358 1.00 0.00 N ATOM 0 H ARG A 108 60.013 2.800 6.789 1.00 0.00 H new ATOM 0 HA ARG A 108 59.743 2.941 3.987 1.00 0.00 H new ATOM 0 HB2 ARG A 108 60.542 0.792 5.965 1.00 0.00 H new ATOM 0 HB3 ARG A 108 60.454 0.446 4.249 1.00 0.00 H new ATOM 0 HG2 ARG A 108 62.408 1.496 3.827 1.00 0.00 H new ATOM 0 HG3 ARG A 108 61.952 2.907 4.761 1.00 0.00 H new ATOM 0 HD2 ARG A 108 63.878 1.942 5.830 1.00 0.00 H new ATOM 0 HD3 ARG A 108 62.501 1.630 6.868 1.00 0.00 H new ATOM 0 HE ARG A 108 62.598 -0.643 5.312 1.00 0.00 H new ATOM 0 HH11 ARG A 108 64.970 1.117 7.256 1.00 0.00 H new ATOM 0 HH12 ARG A 108 65.901 -0.335 7.640 1.00 0.00 H new ATOM 0 HH21 ARG A 108 63.802 -2.497 5.811 1.00 0.00 H new ATOM 0 HH22 ARG A 108 65.242 -2.370 6.826 1.00 0.00 H new ATOM 391 N PHE A 109 57.624 0.918 5.529 1.00 0.00 N ATOM 392 CA PHE A 109 56.352 0.220 5.377 1.00 0.00 C ATOM 393 C PHE A 109 55.218 1.025 6.005 1.00 0.00 C ATOM 394 O PHE A 109 55.387 1.636 7.060 1.00 0.00 O ATOM 395 CB PHE A 109 56.427 -1.172 6.007 1.00 0.00 C ATOM 396 CG PHE A 109 57.656 -1.943 5.613 1.00 0.00 C ATOM 397 CD1 PHE A 109 58.799 -1.891 6.394 1.00 0.00 C ATOM 398 CD2 PHE A 109 57.668 -2.720 4.464 1.00 0.00 C ATOM 399 CE1 PHE A 109 59.932 -2.598 6.037 1.00 0.00 C ATOM 400 CE2 PHE A 109 58.798 -3.429 4.104 1.00 0.00 C ATOM 401 CZ PHE A 109 59.931 -3.368 4.890 1.00 0.00 C ATOM 0 H PHE A 109 58.040 0.839 6.457 1.00 0.00 H new ATOM 0 HA PHE A 109 56.148 0.110 4.312 1.00 0.00 H new ATOM 0 HB2 PHE A 109 56.402 -1.073 7.092 1.00 0.00 H new ATOM 0 HB3 PHE A 109 55.543 -1.741 5.719 1.00 0.00 H new ATOM 0 HD1 PHE A 109 58.805 -1.291 7.292 1.00 0.00 H new ATOM 0 HD2 PHE A 109 56.785 -2.771 3.844 1.00 0.00 H new ATOM 0 HE1 PHE A 109 60.817 -2.548 6.654 1.00 0.00 H new ATOM 0 HE2 PHE A 109 58.795 -4.031 3.207 1.00 0.00 H new ATOM 0 HZ PHE A 109 60.815 -3.921 4.609 1.00 0.00 H new ATOM 411 N CYS A 110 54.067 1.030 5.341 1.00 0.00 N ATOM 412 CA CYS A 110 52.900 1.767 5.809 1.00 0.00 C ATOM 413 C CYS A 110 52.372 1.233 7.140 1.00 0.00 C ATOM 414 O CYS A 110 51.562 1.888 7.796 1.00 0.00 O ATOM 415 CB CYS A 110 51.793 1.697 4.753 1.00 0.00 C ATOM 416 SG CYS A 110 51.138 0.031 4.479 1.00 0.00 S ATOM 0 H CYS A 110 53.918 0.526 4.467 1.00 0.00 H new ATOM 0 HA CYS A 110 53.207 2.801 5.969 1.00 0.00 H new ATOM 0 HB2 CYS A 110 50.976 2.352 5.055 1.00 0.00 H new ATOM 0 HB3 CYS A 110 52.180 2.083 3.810 1.00 0.00 H new ATOM 0 HG CYS A 110 50.208 0.074 3.572 1.00 0.00 H new ATOM 421 N SER A 111 52.815 0.043 7.536 1.00 0.00 N ATOM 422 CA SER A 111 52.353 -0.551 8.787 1.00 0.00 C ATOM 423 C SER A 111 53.397 -1.479 9.393 1.00 0.00 C ATOM 424 O SER A 111 54.223 -2.052 8.683 1.00 0.00 O ATOM 425 CB SER A 111 51.060 -1.333 8.548 1.00 0.00 C ATOM 426 OG SER A 111 51.337 -2.671 8.159 1.00 0.00 O ATOM 0 H SER A 111 53.485 -0.523 7.016 1.00 0.00 H new ATOM 0 HA SER A 111 52.174 0.263 9.489 1.00 0.00 H new ATOM 0 HB2 SER A 111 50.458 -1.332 9.456 1.00 0.00 H new ATOM 0 HB3 SER A 111 50.471 -0.840 7.774 1.00 0.00 H new ATOM 0 HG SER A 111 51.648 -2.684 7.230 1.00 0.00 H new ATOM 432 N VAL A 112 53.334 -1.642 10.711 1.00 0.00 N ATOM 433 CA VAL A 112 54.254 -2.523 11.412 1.00 0.00 C ATOM 434 C VAL A 112 54.054 -3.958 10.939 1.00 0.00 C ATOM 435 O VAL A 112 55.001 -4.742 10.869 1.00 0.00 O ATOM 436 CB VAL A 112 54.058 -2.453 12.939 1.00 0.00 C ATOM 437 CG1 VAL A 112 52.646 -2.875 13.320 1.00 0.00 C ATOM 438 CG2 VAL A 112 55.090 -3.314 13.652 1.00 0.00 C ATOM 0 H VAL A 112 52.655 -1.175 11.312 1.00 0.00 H new ATOM 0 HA VAL A 112 55.268 -2.193 11.186 1.00 0.00 H new ATOM 0 HB VAL A 112 54.200 -1.420 13.255 1.00 0.00 H new ATOM 0 HG11 VAL A 112 52.529 -2.818 14.402 1.00 0.00 H new ATOM 0 HG12 VAL A 112 51.926 -2.211 12.842 1.00 0.00 H new ATOM 0 HG13 VAL A 112 52.470 -3.899 12.989 1.00 0.00 H new ATOM 0 HG21 VAL A 112 54.935 -3.251 14.729 1.00 0.00 H new ATOM 0 HG22 VAL A 112 54.984 -4.350 13.330 1.00 0.00 H new ATOM 0 HG23 VAL A 112 56.091 -2.959 13.408 1.00 0.00 H new ATOM 448 N SER A 113 52.808 -4.286 10.596 1.00 0.00 N ATOM 449 CA SER A 113 52.474 -5.616 10.106 1.00 0.00 C ATOM 450 C SER A 113 53.304 -5.932 8.871 1.00 0.00 C ATOM 451 O SER A 113 53.864 -7.021 8.744 1.00 0.00 O ATOM 452 CB SER A 113 50.983 -5.707 9.777 1.00 0.00 C ATOM 453 OG SER A 113 50.543 -7.054 9.767 1.00 0.00 O ATOM 0 H SER A 113 52.016 -3.646 10.650 1.00 0.00 H new ATOM 0 HA SER A 113 52.699 -6.345 10.885 1.00 0.00 H new ATOM 0 HB2 SER A 113 50.410 -5.140 10.511 1.00 0.00 H new ATOM 0 HB3 SER A 113 50.794 -5.252 8.805 1.00 0.00 H new ATOM 0 HG SER A 113 49.586 -7.084 9.556 1.00 0.00 H new ATOM 459 N CYS A 114 53.393 -4.959 7.969 1.00 0.00 N ATOM 460 CA CYS A 114 54.174 -5.121 6.750 1.00 0.00 C ATOM 461 C CYS A 114 55.634 -5.404 7.094 1.00 0.00 C ATOM 462 O CYS A 114 56.351 -6.051 6.330 1.00 0.00 O ATOM 463 CB CYS A 114 54.077 -3.863 5.883 1.00 0.00 C ATOM 464 SG CYS A 114 52.480 -3.647 5.064 1.00 0.00 S ATOM 0 H CYS A 114 52.935 -4.052 8.060 1.00 0.00 H new ATOM 0 HA CYS A 114 53.771 -5.965 6.190 1.00 0.00 H new ATOM 0 HB2 CYS A 114 54.274 -2.990 6.506 1.00 0.00 H new ATOM 0 HB3 CYS A 114 54.860 -3.897 5.125 1.00 0.00 H new ATOM 0 HG CYS A 114 52.211 -2.379 4.965 1.00 0.00 H new ATOM 469 N SER A 115 56.066 -4.913 8.255 1.00 0.00 N ATOM 470 CA SER A 115 57.437 -5.108 8.712 1.00 0.00 C ATOM 471 C SER A 115 57.669 -6.553 9.142 1.00 0.00 C ATOM 472 O SER A 115 58.562 -7.233 8.623 1.00 0.00 O ATOM 473 CB SER A 115 57.746 -4.162 9.876 1.00 0.00 C ATOM 474 OG SER A 115 59.141 -3.947 10.002 1.00 0.00 O ATOM 0 H SER A 115 55.482 -4.376 8.896 1.00 0.00 H new ATOM 0 HA SER A 115 58.106 -4.885 7.881 1.00 0.00 H new ATOM 0 HB2 SER A 115 57.241 -3.209 9.718 1.00 0.00 H new ATOM 0 HB3 SER A 115 57.354 -4.581 10.803 1.00 0.00 H new ATOM 0 HG SER A 115 59.312 -3.338 10.751 1.00 0.00 H new ATOM 480 N ARG A 116 56.844 -7.037 10.068 1.00 0.00 N ATOM 481 CA ARG A 116 56.960 -8.412 10.532 1.00 0.00 C ATOM 482 C ARG A 116 56.547 -9.375 9.426 1.00 0.00 C ATOM 483 O ARG A 116 56.890 -10.557 9.456 1.00 0.00 O ATOM 484 CB ARG A 116 56.108 -8.643 11.785 1.00 0.00 C ATOM 485 CG ARG A 116 54.669 -8.166 11.655 1.00 0.00 C ATOM 486 CD ARG A 116 54.223 -7.408 12.897 1.00 0.00 C ATOM 487 NE ARG A 116 53.696 -8.302 13.925 1.00 0.00 N ATOM 488 CZ ARG A 116 52.454 -8.781 13.928 1.00 0.00 C ATOM 489 NH1 ARG A 116 51.607 -8.458 12.958 1.00 0.00 N ATOM 490 NH2 ARG A 116 52.057 -9.587 14.904 1.00 0.00 N ATOM 0 H ARG A 116 56.095 -6.501 10.507 1.00 0.00 H new ATOM 0 HA ARG A 116 58.002 -8.598 10.793 1.00 0.00 H new ATOM 0 HB2 ARG A 116 56.107 -9.708 12.019 1.00 0.00 H new ATOM 0 HB3 ARG A 116 56.574 -8.132 12.627 1.00 0.00 H new ATOM 0 HG2 ARG A 116 54.575 -7.523 10.780 1.00 0.00 H new ATOM 0 HG3 ARG A 116 54.013 -9.022 11.494 1.00 0.00 H new ATOM 0 HD2 ARG A 116 55.066 -6.848 13.302 1.00 0.00 H new ATOM 0 HD3 ARG A 116 53.459 -6.681 12.623 1.00 0.00 H new ATOM 0 HE ARG A 116 54.317 -8.576 14.686 1.00 0.00 H new ATOM 0 HH11 ARG A 116 51.907 -7.839 12.204 1.00 0.00 H new ATOM 0 HH12 ARG A 116 50.657 -8.829 12.966 1.00 0.00 H new ATOM 0 HH21 ARG A 116 52.703 -9.839 15.652 1.00 0.00 H new ATOM 0 HH22 ARG A 116 51.105 -9.954 14.907 1.00 0.00 H new ATOM 504 N SER A 117 55.828 -8.852 8.435 1.00 0.00 N ATOM 505 CA SER A 117 55.393 -9.654 7.305 1.00 0.00 C ATOM 506 C SER A 117 56.546 -9.815 6.325 1.00 0.00 C ATOM 507 O SER A 117 56.917 -10.929 5.963 1.00 0.00 O ATOM 508 CB SER A 117 54.196 -9.002 6.612 1.00 0.00 C ATOM 509 OG SER A 117 52.974 -9.455 7.169 1.00 0.00 O ATOM 0 H SER A 117 55.537 -7.875 8.396 1.00 0.00 H new ATOM 0 HA SER A 117 55.084 -10.636 7.664 1.00 0.00 H new ATOM 0 HB2 SER A 117 54.263 -7.918 6.707 1.00 0.00 H new ATOM 0 HB3 SER A 117 54.220 -9.230 5.546 1.00 0.00 H new ATOM 0 HG SER A 117 52.714 -8.867 7.909 1.00 0.00 H new ATOM 515 N TYR A 118 57.120 -8.691 5.906 1.00 0.00 N ATOM 516 CA TYR A 118 58.243 -8.697 4.979 1.00 0.00 C ATOM 517 C TYR A 118 59.441 -9.432 5.573 1.00 0.00 C ATOM 518 O TYR A 118 60.292 -9.942 4.845 1.00 0.00 O ATOM 519 CB TYR A 118 58.637 -7.254 4.652 1.00 0.00 C ATOM 520 CG TYR A 118 59.259 -7.074 3.288 1.00 0.00 C ATOM 521 CD1 TYR A 118 60.491 -7.636 2.983 1.00 0.00 C ATOM 522 CD2 TYR A 118 58.614 -6.332 2.308 1.00 0.00 C ATOM 523 CE1 TYR A 118 61.063 -7.465 1.736 1.00 0.00 C ATOM 524 CE2 TYR A 118 59.176 -6.156 1.060 1.00 0.00 C ATOM 525 CZ TYR A 118 60.401 -6.724 0.778 1.00 0.00 C ATOM 526 OH TYR A 118 60.966 -6.551 -0.465 1.00 0.00 O ATOM 0 H TYR A 118 56.822 -7.760 6.197 1.00 0.00 H new ATOM 0 HA TYR A 118 57.940 -9.217 4.070 1.00 0.00 H new ATOM 0 HB2 TYR A 118 57.751 -6.623 4.720 1.00 0.00 H new ATOM 0 HB3 TYR A 118 59.339 -6.901 5.408 1.00 0.00 H new ATOM 0 HD1 TYR A 118 61.011 -8.216 3.731 1.00 0.00 H new ATOM 0 HD2 TYR A 118 57.656 -5.885 2.526 1.00 0.00 H new ATOM 0 HE1 TYR A 118 62.022 -7.909 1.513 1.00 0.00 H new ATOM 0 HE2 TYR A 118 58.660 -5.577 0.309 1.00 0.00 H new ATOM 0 HH TYR A 118 60.372 -6.006 -1.022 1.00 0.00 H new ATOM 536 N SER A 119 59.502 -9.484 6.901 1.00 0.00 N ATOM 537 CA SER A 119 60.602 -10.156 7.583 1.00 0.00 C ATOM 538 C SER A 119 60.363 -11.661 7.683 1.00 0.00 C ATOM 539 O SER A 119 61.215 -12.462 7.298 1.00 0.00 O ATOM 540 CB SER A 119 60.800 -9.560 8.976 1.00 0.00 C ATOM 541 OG SER A 119 61.592 -10.408 9.789 1.00 0.00 O ATOM 0 H SER A 119 58.806 -9.071 7.522 1.00 0.00 H new ATOM 0 HA SER A 119 61.506 -10.000 6.994 1.00 0.00 H new ATOM 0 HB2 SER A 119 61.277 -8.583 8.892 1.00 0.00 H new ATOM 0 HB3 SER A 119 59.830 -9.402 9.448 1.00 0.00 H new ATOM 0 HG SER A 119 61.704 -10.002 10.674 1.00 0.00 H new ATOM 547 N SER A 120 59.207 -12.036 8.211 1.00 0.00 N ATOM 548 CA SER A 120 58.857 -13.446 8.374 1.00 0.00 C ATOM 549 C SER A 120 58.321 -14.042 7.074 1.00 0.00 C ATOM 550 O SER A 120 58.772 -15.098 6.629 1.00 0.00 O ATOM 551 CB SER A 120 57.819 -13.608 9.485 1.00 0.00 C ATOM 552 OG SER A 120 58.051 -14.789 10.233 1.00 0.00 O ATOM 0 H SER A 120 58.492 -11.385 8.535 1.00 0.00 H new ATOM 0 HA SER A 120 59.765 -13.984 8.645 1.00 0.00 H new ATOM 0 HB2 SER A 120 57.852 -12.743 10.147 1.00 0.00 H new ATOM 0 HB3 SER A 120 56.820 -13.639 9.051 1.00 0.00 H new ATOM 0 HG SER A 120 57.375 -14.868 10.938 1.00 0.00 H new ATOM 558 N ASN A 121 57.346 -13.364 6.479 1.00 0.00 N ATOM 559 CA ASN A 121 56.729 -13.824 5.238 1.00 0.00 C ATOM 560 C ASN A 121 57.711 -13.770 4.073 1.00 0.00 C ATOM 561 O ASN A 121 57.401 -14.220 2.970 1.00 0.00 O ATOM 562 CB ASN A 121 55.494 -12.981 4.916 1.00 0.00 C ATOM 563 CG ASN A 121 54.492 -13.727 4.057 1.00 0.00 C ATOM 564 OD1 ASN A 121 54.246 -14.916 4.260 1.00 0.00 O ATOM 565 ND2 ASN A 121 53.908 -13.030 3.089 1.00 0.00 N ATOM 0 H ASN A 121 56.963 -12.489 6.838 1.00 0.00 H new ATOM 0 HA ASN A 121 56.430 -14.862 5.382 1.00 0.00 H new ATOM 0 HB2 ASN A 121 55.014 -12.675 5.846 1.00 0.00 H new ATOM 0 HB3 ASN A 121 55.803 -12.071 4.402 1.00 0.00 H new ATOM 0 HD21 ASN A 121 53.225 -13.479 2.478 1.00 0.00 H new ATOM 0 HD22 ASN A 121 54.142 -12.046 2.957 1.00 0.00 H new