USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 427 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 SER OG : rot -176:sc= 1.32 USER MOD Set 1.2: A 18 LYS NZ :NH3+ -179:sc= 2.47 (180deg=2.29) USER MOD Set 1.3: A 46 SER OG : rot 74:sc= 1.14 USER MOD Set 2.1: A 35 THR OG1 : rot 180:sc= 0.119 USER MOD Set 2.2: A 37 ASN : amide:sc= 0 K(o=0.12,f=-1.8!) USER MOD Single : A 3 CYS SG : rot 170:sc= -1.68 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot -96:sc= 1.25 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.0692 USER MOD Single : A 25 LYS NZ :NH3+ -174:sc= 1.23 (180deg=1.2) USER MOD Single : A 26 SER OG : rot 82:sc= 1.99 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot -120:sc= 0.0102 USER MOD Single : A 42 ASN : amide:sc= 0.457 X(o=0.46,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 -6.389 -1.514 -7.692 1.00 0.00 N ATOM 19 CA LEU A 2 -6.065 -2.856 -7.190 1.00 0.00 C ATOM 20 C LEU A 2 -4.595 -2.978 -6.786 1.00 0.00 C ATOM 21 O LEU A 2 -3.726 -2.279 -7.316 1.00 0.00 O ATOM 22 CB LEU A 2 -6.538 -3.947 -8.173 1.00 0.00 C ATOM 23 CG LEU A 2 -5.625 -4.233 -9.385 1.00 0.00 C ATOM 24 CD1 LEU A 2 -6.186 -5.422 -10.167 1.00 0.00 C ATOM 25 CD2 LEU A 2 -5.506 -3.054 -10.354 1.00 0.00 C ATOM 0 HA LEU A 2 -6.624 -3.019 -6.269 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.664 -4.875 -7.616 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.522 -3.664 -8.548 1.00 0.00 H new ATOM 0 HG LEU A 2 -4.633 -4.434 -8.980 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -5.545 -5.629 -11.024 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.221 -6.299 -9.520 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.192 -5.187 -10.514 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.850 -3.327 -11.180 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.493 -2.801 -10.742 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -5.091 -2.193 -9.830 1.00 0.00 H new ATOM 37 N CYS A 3 -4.325 -3.882 -5.840 1.00 0.00 N ATOM 38 CA CYS A 3 -3.037 -3.967 -5.177 1.00 0.00 C ATOM 39 C CYS A 3 -1.892 -4.365 -6.118 1.00 0.00 C ATOM 40 O CYS A 3 -2.007 -5.241 -6.970 1.00 0.00 O ATOM 41 CB CYS A 3 -3.258 -4.872 -3.957 1.00 0.00 C ATOM 42 SG CYS A 3 -1.763 -5.421 -3.115 1.00 0.00 S ATOM 0 H CYS A 3 -5.001 -4.574 -5.517 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.685 -2.993 -4.838 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.883 -4.339 -3.240 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.818 -5.751 -4.276 1.00 0.00 H new ATOM 0 HG CYS A 3 -2.082 -5.993 -1.992 1.00 0.00 H new ATOM 48 N ALA A 4 -0.757 -3.701 -5.928 1.00 0.00 N ATOM 49 CA ALA A 4 0.466 -3.960 -6.700 1.00 0.00 C ATOM 50 C ALA A 4 1.224 -5.203 -6.188 1.00 0.00 C ATOM 51 O ALA A 4 2.035 -5.773 -6.922 1.00 0.00 O ATOM 52 CB ALA A 4 1.372 -2.739 -6.748 1.00 0.00 C ATOM 0 H ALA A 4 -0.653 -2.963 -5.232 1.00 0.00 H new ATOM 0 HA ALA A 4 0.151 -4.175 -7.721 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.265 -2.971 -7.328 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.841 -1.910 -7.216 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.660 -2.459 -5.735 1.00 0.00 H new ATOM 58 N ILE A 5 0.959 -5.631 -4.941 1.00 0.00 N ATOM 59 CA ILE A 5 1.533 -6.858 -4.371 1.00 0.00 C ATOM 60 C ILE A 5 0.843 -8.096 -4.976 1.00 0.00 C ATOM 61 O ILE A 5 1.529 -8.913 -5.598 1.00 0.00 O ATOM 62 CB ILE A 5 1.531 -6.842 -2.819 1.00 0.00 C ATOM 63 CG1 ILE A 5 2.493 -5.784 -2.239 1.00 0.00 C ATOM 64 CG2 ILE A 5 1.975 -8.226 -2.304 1.00 0.00 C ATOM 65 CD1 ILE A 5 1.789 -4.456 -1.946 1.00 0.00 C ATOM 0 H ILE A 5 0.340 -5.134 -4.301 1.00 0.00 H new ATOM 0 HA ILE A 5 2.586 -6.910 -4.646 1.00 0.00 H new ATOM 0 HB ILE A 5 0.519 -6.596 -2.497 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.939 -6.166 -1.321 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.308 -5.613 -2.942 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.977 -8.225 -1.214 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.284 -8.988 -2.665 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.979 -8.445 -2.668 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.508 -3.745 -1.540 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.366 -4.057 -2.868 1.00 0.00 H new ATOM 0 HD13 ILE A 5 0.991 -4.619 -1.221 1.00 0.00 H new ATOM 77 N SER A 6 -0.491 -8.226 -4.842 1.00 0.00 N ATOM 78 CA SER A 6 -1.234 -9.398 -5.365 1.00 0.00 C ATOM 79 C SER A 6 -2.549 -9.093 -6.099 1.00 0.00 C ATOM 80 O SER A 6 -3.154 -10.015 -6.651 1.00 0.00 O ATOM 81 CB SER A 6 -1.508 -10.448 -4.280 1.00 0.00 C ATOM 82 OG SER A 6 -0.319 -10.865 -3.628 1.00 0.00 O ATOM 0 H SER A 6 -1.080 -7.536 -4.376 1.00 0.00 H new ATOM 0 HA SER A 6 -0.547 -9.790 -6.115 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.199 -10.037 -3.544 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.997 -11.313 -4.728 1.00 0.00 H new ATOM 0 HG SER A 6 -0.538 -11.532 -2.944 1.00 0.00 H new ATOM 88 N GLY A 7 -3.018 -7.839 -6.138 1.00 0.00 N ATOM 89 CA GLY A 7 -4.184 -7.457 -6.951 1.00 0.00 C ATOM 90 C GLY A 7 -5.538 -7.644 -6.281 1.00 0.00 C ATOM 91 O GLY A 7 -6.592 -7.475 -6.895 1.00 0.00 O ATOM 0 H GLY A 7 -2.606 -7.067 -5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.080 -6.410 -7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.170 -8.040 -7.872 1.00 0.00 H new ATOM 95 N LYS A 8 -5.481 -7.982 -5.000 1.00 0.00 N ATOM 96 CA LYS A 8 -6.588 -8.153 -4.066 1.00 0.00 C ATOM 97 C LYS A 8 -7.368 -6.847 -3.862 1.00 0.00 C ATOM 98 O LYS A 8 -6.766 -5.773 -3.786 1.00 0.00 O ATOM 99 CB LYS A 8 -5.923 -8.645 -2.777 1.00 0.00 C ATOM 100 CG LYS A 8 -6.895 -8.874 -1.617 1.00 0.00 C ATOM 101 CD LYS A 8 -6.129 -9.526 -0.468 1.00 0.00 C ATOM 102 CE LYS A 8 -7.082 -9.838 0.691 1.00 0.00 C ATOM 103 NZ LYS A 8 -6.397 -10.561 1.796 1.00 0.00 N ATOM 0 H LYS A 8 -4.584 -8.159 -4.549 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.335 -8.858 -4.430 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.398 -9.577 -2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -5.172 -7.918 -2.469 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.330 -7.928 -1.294 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -7.720 -9.513 -1.934 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.652 -10.443 -0.813 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.335 -8.862 -0.127 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -7.505 -8.909 1.073 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.914 -10.440 0.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.077 -10.753 2.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.015 -11.460 1.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.619 -9.977 2.164 1.00 0.00 H new ATOM 117 N VAL A 9 -8.697 -6.947 -3.748 1.00 0.00 N ATOM 118 CA VAL A 9 -9.574 -5.836 -3.327 1.00 0.00 C ATOM 119 C VAL A 9 -9.265 -5.512 -1.853 1.00 0.00 C ATOM 120 O VAL A 9 -9.441 -6.380 -0.992 1.00 0.00 O ATOM 121 CB VAL A 9 -11.063 -6.138 -3.602 1.00 0.00 C ATOM 122 CG1 VAL A 9 -11.634 -7.392 -2.927 1.00 0.00 C ATOM 123 CG2 VAL A 9 -11.935 -4.933 -3.234 1.00 0.00 C ATOM 0 H VAL A 9 -9.205 -7.809 -3.946 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.369 -4.946 -3.922 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.092 -6.343 -4.672 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -12.686 -7.501 -3.192 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.082 -8.270 -3.263 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.541 -7.297 -1.845 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.981 -5.166 -3.435 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.811 -4.704 -2.176 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.634 -4.071 -3.829 1.00 0.00 H new ATOM 133 N PRO A 10 -8.730 -4.321 -1.528 1.00 0.00 N ATOM 134 CA PRO A 10 -8.205 -4.048 -0.193 1.00 0.00 C ATOM 135 C PRO A 10 -9.290 -3.858 0.880 1.00 0.00 C ATOM 136 O PRO A 10 -10.358 -3.291 0.631 1.00 0.00 O ATOM 137 CB PRO A 10 -7.354 -2.786 -0.370 1.00 0.00 C ATOM 138 CG PRO A 10 -8.055 -2.037 -1.499 1.00 0.00 C ATOM 139 CD PRO A 10 -8.517 -3.176 -2.403 1.00 0.00 C ATOM 0 HA PRO A 10 -7.634 -4.899 0.179 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.321 -2.193 0.544 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -6.324 -3.030 -0.630 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.892 -1.441 -1.134 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.380 -1.355 -2.016 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.434 -2.910 -2.928 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.768 -3.399 -3.163 1.00 0.00 H new ATOM 147 N ARG A 11 -8.974 -4.307 2.100 1.00 0.00 N ATOM 148 CA ARG A 11 -9.711 -4.056 3.350 1.00 0.00 C ATOM 149 C ARG A 11 -9.152 -2.811 4.052 1.00 0.00 C ATOM 150 O ARG A 11 -9.917 -2.066 4.667 1.00 0.00 O ATOM 151 CB ARG A 11 -9.717 -5.297 4.264 1.00 0.00 C ATOM 152 CG ARG A 11 -8.327 -5.779 4.715 1.00 0.00 C ATOM 153 CD ARG A 11 -8.426 -6.927 5.722 1.00 0.00 C ATOM 154 NE ARG A 11 -7.087 -7.323 6.199 1.00 0.00 N ATOM 155 CZ ARG A 11 -6.804 -8.240 7.107 1.00 0.00 C ATOM 156 NH1 ARG A 11 -7.725 -8.957 7.687 1.00 0.00 N ATOM 157 NH2 ARG A 11 -5.569 -8.453 7.449 1.00 0.00 N ATOM 0 H ARG A 11 -8.150 -4.889 2.253 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.754 -3.857 3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -10.313 -5.075 5.149 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.216 -6.113 3.741 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.755 -6.105 3.846 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.781 -4.948 5.162 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.043 -6.623 6.568 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.919 -7.781 5.259 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.294 -6.836 5.782 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.706 -8.820 7.444 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.465 -9.655 8.383 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.820 -7.913 7.017 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.349 -9.161 8.150 1.00 0.00 H new ATOM 171 N ARG A 12 -7.846 -2.542 3.899 1.00 0.00 N ATOM 172 CA ARG A 12 -7.160 -1.301 4.294 1.00 0.00 C ATOM 173 C ARG A 12 -6.394 -0.733 3.089 1.00 0.00 C ATOM 174 O ARG A 12 -5.198 -1.001 2.957 1.00 0.00 O ATOM 175 CB ARG A 12 -6.260 -1.545 5.517 1.00 0.00 C ATOM 176 CG ARG A 12 -7.073 -1.662 6.812 1.00 0.00 C ATOM 177 CD ARG A 12 -6.145 -1.741 8.030 1.00 0.00 C ATOM 178 NE ARG A 12 -6.910 -1.746 9.291 1.00 0.00 N ATOM 179 CZ ARG A 12 -7.353 -0.700 9.968 1.00 0.00 C ATOM 180 NH1 ARG A 12 -7.141 0.531 9.599 1.00 0.00 N ATOM 181 NH2 ARG A 12 -8.038 -0.878 11.061 1.00 0.00 N ATOM 0 H ARG A 12 -7.208 -3.217 3.476 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.891 -0.552 4.599 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.683 -2.458 5.367 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.545 -0.728 5.610 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.737 -0.803 6.909 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -7.705 -2.549 6.772 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.537 -2.644 7.968 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.459 -0.894 8.022 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.122 -2.662 9.687 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -6.610 0.725 8.750 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.506 1.301 10.159 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.232 -1.823 11.393 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.381 -0.073 11.585 1.00 0.00 H new ATOM 195 N PRO A 13 -7.057 0.024 2.189 1.00 0.00 N ATOM 196 CA PRO A 13 -6.422 0.694 1.061 1.00 0.00 C ATOM 197 C PRO A 13 -5.332 1.642 1.544 1.00 0.00 C ATOM 198 O PRO A 13 -5.524 2.478 2.427 1.00 0.00 O ATOM 199 CB PRO A 13 -7.527 1.407 0.273 1.00 0.00 C ATOM 200 CG PRO A 13 -8.680 1.486 1.270 1.00 0.00 C ATOM 201 CD PRO A 13 -8.488 0.195 2.059 1.00 0.00 C ATOM 0 HA PRO A 13 -5.921 -0.019 0.406 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.211 2.397 -0.055 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.807 0.849 -0.621 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.613 2.369 1.906 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.650 1.523 0.774 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -8.965 0.259 3.037 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.938 -0.651 1.540 1.00 0.00 H new ATOM 209 N VAL A 14 -4.165 1.454 0.959 1.00 0.00 N ATOM 210 CA VAL A 14 -2.887 2.052 1.355 1.00 0.00 C ATOM 211 C VAL A 14 -2.059 2.428 0.127 1.00 0.00 C ATOM 212 O VAL A 14 -2.044 1.706 -0.867 1.00 0.00 O ATOM 213 CB VAL A 14 -2.166 1.045 2.286 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.651 0.961 2.138 1.00 0.00 C ATOM 215 CG2 VAL A 14 -2.450 1.393 3.747 1.00 0.00 C ATOM 0 H VAL A 14 -4.069 0.845 0.146 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.042 2.984 1.898 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.569 0.078 1.983 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.257 0.225 2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.401 0.663 1.120 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.210 1.935 2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.940 0.681 4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.089 2.400 3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.524 1.347 3.930 1.00 0.00 H new ATOM 225 N LEU A 15 -1.338 3.542 0.209 1.00 0.00 N ATOM 226 CA LEU A 15 -0.429 4.057 -0.819 1.00 0.00 C ATOM 227 C LEU A 15 0.980 4.287 -0.223 1.00 0.00 C ATOM 228 O LEU A 15 1.132 4.488 0.987 1.00 0.00 O ATOM 229 CB LEU A 15 -1.069 5.354 -1.372 1.00 0.00 C ATOM 230 CG LEU A 15 -0.235 6.173 -2.386 1.00 0.00 C ATOM 231 CD1 LEU A 15 -1.138 6.883 -3.394 1.00 0.00 C ATOM 232 CD2 LEU A 15 0.586 7.279 -1.712 1.00 0.00 C ATOM 0 H LEU A 15 -1.371 4.142 1.033 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.292 3.347 -1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.014 5.090 -1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.306 6.001 -0.528 1.00 0.00 H new ATOM 0 HG LEU A 15 0.422 5.448 -2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.526 7.451 -4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.724 6.144 -3.941 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.809 7.561 -2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.153 7.823 -2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.084 7.966 -1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.274 6.834 -0.993 1.00 0.00 H new ATOM 244 N SER A 16 2.007 4.301 -1.075 1.00 0.00 N ATOM 245 CA SER A 16 3.378 4.732 -0.760 1.00 0.00 C ATOM 246 C SER A 16 3.812 5.780 -1.794 1.00 0.00 C ATOM 247 O SER A 16 3.556 5.580 -2.987 1.00 0.00 O ATOM 248 CB SER A 16 4.343 3.552 -0.662 1.00 0.00 C ATOM 249 OG SER A 16 5.669 4.015 -0.477 1.00 0.00 O ATOM 0 H SER A 16 1.906 4.001 -2.045 1.00 0.00 H new ATOM 0 HA SER A 16 3.399 5.191 0.228 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.057 2.907 0.169 1.00 0.00 H new ATOM 0 HB3 SER A 16 4.284 2.949 -1.568 1.00 0.00 H new ATOM 0 HG SER A 16 6.285 3.253 -0.477 1.00 0.00 H new ATOM 255 N PRO A 17 4.408 6.923 -1.387 1.00 0.00 N ATOM 256 CA PRO A 17 4.708 8.054 -2.277 1.00 0.00 C ATOM 257 C PRO A 17 5.546 7.755 -3.528 1.00 0.00 C ATOM 258 O PRO A 17 5.625 8.620 -4.405 1.00 0.00 O ATOM 259 CB PRO A 17 5.451 9.073 -1.407 1.00 0.00 C ATOM 260 CG PRO A 17 4.908 8.816 -0.010 1.00 0.00 C ATOM 261 CD PRO A 17 4.689 7.307 -0.005 1.00 0.00 C ATOM 0 HA PRO A 17 3.759 8.397 -2.688 1.00 0.00 H new ATOM 0 HB2 PRO A 17 6.530 8.926 -1.451 1.00 0.00 H new ATOM 0 HB3 PRO A 17 5.255 10.095 -1.731 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.614 9.125 0.761 1.00 0.00 H new ATOM 0 HG3 PRO A 17 3.981 9.360 0.170 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.571 6.788 0.370 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.859 7.038 0.649 1.00 0.00 H new ATOM 269 N LYS A 18 6.190 6.581 -3.618 1.00 0.00 N ATOM 270 CA LYS A 18 7.102 6.229 -4.724 1.00 0.00 C ATOM 271 C LYS A 18 6.387 5.424 -5.809 1.00 0.00 C ATOM 272 O LYS A 18 6.337 5.839 -6.967 1.00 0.00 O ATOM 273 CB LYS A 18 8.369 5.521 -4.207 1.00 0.00 C ATOM 274 CG LYS A 18 9.166 6.339 -3.169 1.00 0.00 C ATOM 275 CD LYS A 18 8.789 6.056 -1.704 1.00 0.00 C ATOM 276 CE LYS A 18 9.253 4.667 -1.273 1.00 0.00 C ATOM 277 NZ LYS A 18 8.760 4.351 0.080 1.00 0.00 N ATOM 0 H LYS A 18 6.094 5.842 -2.922 1.00 0.00 H new ATOM 0 HA LYS A 18 7.429 7.158 -5.190 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.084 4.568 -3.762 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.018 5.296 -5.053 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.228 6.135 -3.303 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.017 7.400 -3.370 1.00 0.00 H new ATOM 0 HD2 LYS A 18 9.239 6.809 -1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 18 7.709 6.136 -1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.891 3.921 -1.981 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.342 4.620 -1.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 9.100 3.410 0.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 9.112 5.062 0.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 7.720 4.358 0.081 1.00 0.00 H new ATOM 291 N SER A 19 5.800 4.295 -5.421 1.00 0.00 N ATOM 292 CA SER A 19 4.925 3.442 -6.242 1.00 0.00 C ATOM 293 C SER A 19 3.616 4.119 -6.684 1.00 0.00 C ATOM 294 O SER A 19 3.173 3.907 -7.813 1.00 0.00 O ATOM 295 CB SER A 19 4.599 2.161 -5.470 1.00 0.00 C ATOM 296 OG SER A 19 4.060 2.453 -4.201 1.00 0.00 O ATOM 0 H SER A 19 5.924 3.926 -4.478 1.00 0.00 H new ATOM 0 HA SER A 19 5.479 3.227 -7.156 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.890 1.561 -6.040 1.00 0.00 H new ATOM 0 HB3 SER A 19 5.503 1.563 -5.355 1.00 0.00 H new ATOM 0 HG SER A 19 4.774 2.434 -3.530 1.00 0.00 H new ATOM 302 N ARG A 20 3.000 4.933 -5.813 1.00 0.00 N ATOM 303 CA ARG A 20 1.775 5.749 -6.004 1.00 0.00 C ATOM 304 C ARG A 20 0.484 4.993 -6.392 1.00 0.00 C ATOM 305 O ARG A 20 -0.564 5.616 -6.566 1.00 0.00 O ATOM 306 CB ARG A 20 2.065 6.968 -6.904 1.00 0.00 C ATOM 307 CG ARG A 20 3.268 7.777 -6.387 1.00 0.00 C ATOM 308 CD ARG A 20 3.482 9.103 -7.125 1.00 0.00 C ATOM 309 NE ARG A 20 2.555 10.152 -6.656 1.00 0.00 N ATOM 310 CZ ARG A 20 2.687 10.913 -5.582 1.00 0.00 C ATOM 311 NH1 ARG A 20 3.678 10.785 -4.745 1.00 0.00 N ATOM 312 NH2 ARG A 20 1.803 11.834 -5.320 1.00 0.00 N ATOM 0 H ARG A 20 3.374 5.053 -4.872 1.00 0.00 H new ATOM 0 HA ARG A 20 1.523 6.102 -5.004 1.00 0.00 H new ATOM 0 HB2 ARG A 20 2.262 6.631 -7.922 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.184 7.609 -6.945 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.128 7.981 -5.325 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.169 7.171 -6.479 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.510 9.436 -6.981 1.00 0.00 H new ATOM 0 HD3 ARG A 20 3.344 8.949 -8.195 1.00 0.00 H new ATOM 0 HE ARG A 20 1.721 10.307 -7.222 1.00 0.00 H new ATOM 0 HH11 ARG A 20 4.393 10.075 -4.905 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.739 11.395 -3.930 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.007 11.969 -5.944 1.00 0.00 H new ATOM 0 HH22 ARG A 20 1.907 12.420 -4.491 1.00 0.00 H new ATOM 326 N THR A 21 0.544 3.668 -6.507 1.00 0.00 N ATOM 327 CA THR A 21 -0.601 2.743 -6.634 1.00 0.00 C ATOM 328 C THR A 21 -1.386 2.685 -5.302 1.00 0.00 C ATOM 329 O THR A 21 -0.967 3.287 -4.307 1.00 0.00 O ATOM 330 CB THR A 21 -0.090 1.336 -7.014 1.00 0.00 C ATOM 331 OG1 THR A 21 -1.169 0.484 -7.332 1.00 0.00 O ATOM 332 CG2 THR A 21 0.710 0.726 -5.867 1.00 0.00 C ATOM 0 H THR A 21 1.437 3.175 -6.515 1.00 0.00 H new ATOM 0 HA THR A 21 -1.269 3.103 -7.416 1.00 0.00 H new ATOM 0 HB THR A 21 0.555 1.441 -7.886 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.826 -0.402 -7.572 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.061 -0.265 -6.155 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.566 1.363 -5.641 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.076 0.644 -4.984 1.00 0.00 H new ATOM 340 N ILE A 22 -2.493 1.935 -5.244 1.00 0.00 N ATOM 341 CA ILE A 22 -3.205 1.615 -4.000 1.00 0.00 C ATOM 342 C ILE A 22 -3.135 0.097 -3.796 1.00 0.00 C ATOM 343 O ILE A 22 -3.697 -0.666 -4.584 1.00 0.00 O ATOM 344 CB ILE A 22 -4.671 2.097 -4.022 1.00 0.00 C ATOM 345 CG1 ILE A 22 -4.908 3.533 -4.540 1.00 0.00 C ATOM 346 CG2 ILE A 22 -5.317 1.903 -2.637 1.00 0.00 C ATOM 347 CD1 ILE A 22 -4.259 4.643 -3.710 1.00 0.00 C ATOM 0 H ILE A 22 -2.926 1.527 -6.072 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.728 2.138 -3.171 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.156 1.465 -4.766 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.534 3.600 -5.561 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.982 3.714 -4.582 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.351 2.247 -2.666 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.293 0.847 -2.369 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.764 2.478 -1.894 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.485 5.611 -4.157 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.650 4.613 -2.693 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -3.179 4.497 -3.688 1.00 0.00 H new ATOM 359 N PHE A 23 -2.473 -0.350 -2.733 1.00 0.00 N ATOM 360 CA PHE A 23 -2.437 -1.747 -2.290 1.00 0.00 C ATOM 361 C PHE A 23 -3.152 -1.950 -0.957 1.00 0.00 C ATOM 362 O PHE A 23 -3.556 -1.014 -0.271 1.00 0.00 O ATOM 363 CB PHE A 23 -1.011 -2.341 -2.297 1.00 0.00 C ATOM 364 CG PHE A 23 0.155 -1.395 -2.171 1.00 0.00 C ATOM 365 CD1 PHE A 23 0.393 -0.725 -0.973 1.00 0.00 C ATOM 366 CD2 PHE A 23 1.028 -1.218 -3.245 1.00 0.00 C ATOM 367 CE1 PHE A 23 1.396 0.266 -0.914 1.00 0.00 C ATOM 368 CE2 PHE A 23 2.071 -0.285 -3.182 1.00 0.00 C ATOM 369 CZ PHE A 23 2.236 0.484 -2.020 1.00 0.00 C ATOM 0 H PHE A 23 -1.927 0.269 -2.133 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.999 -2.316 -3.031 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.946 -3.060 -1.481 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.888 -2.900 -3.225 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.187 -0.963 -0.094 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.898 -1.810 -4.139 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.518 0.857 -0.019 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.741 -0.159 -4.019 1.00 0.00 H new ATOM 0 HZ PHE A 23 3.005 1.241 -1.975 1.00 0.00 H new ATOM 379 N GLU A 24 -3.349 -3.216 -0.614 1.00 0.00 N ATOM 380 CA GLU A 24 -3.816 -3.632 0.698 1.00 0.00 C ATOM 381 C GLU A 24 -2.671 -3.487 1.718 1.00 0.00 C ATOM 382 O GLU A 24 -1.565 -3.983 1.475 1.00 0.00 O ATOM 383 CB GLU A 24 -4.329 -5.070 0.553 1.00 0.00 C ATOM 384 CG GLU A 24 -4.512 -5.853 1.860 1.00 0.00 C ATOM 385 CD GLU A 24 -5.327 -5.080 2.898 1.00 0.00 C ATOM 386 OE1 GLU A 24 -6.277 -4.378 2.498 1.00 0.00 O ATOM 387 OE2 GLU A 24 -4.992 -5.143 4.101 1.00 0.00 O ATOM 0 H GLU A 24 -3.185 -3.995 -1.252 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.630 -3.011 1.071 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -5.286 -5.043 0.032 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.635 -5.620 -0.083 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -5.008 -6.800 1.646 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.533 -6.092 2.276 1.00 0.00 H new ATOM 394 N LYS A 25 -2.921 -2.854 2.873 1.00 0.00 N ATOM 395 CA LYS A 25 -1.962 -2.659 3.968 1.00 0.00 C ATOM 396 C LYS A 25 -1.336 -3.984 4.374 1.00 0.00 C ATOM 397 O LYS A 25 -0.125 -4.063 4.561 1.00 0.00 O ATOM 398 CB LYS A 25 -2.674 -2.012 5.167 1.00 0.00 C ATOM 399 CG LYS A 25 -1.685 -1.515 6.235 1.00 0.00 C ATOM 400 CD LYS A 25 -2.416 -0.713 7.318 1.00 0.00 C ATOM 401 CE LYS A 25 -1.417 -0.063 8.282 1.00 0.00 C ATOM 402 NZ LYS A 25 -2.111 0.728 9.329 1.00 0.00 N ATOM 0 H LYS A 25 -3.834 -2.448 3.077 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.165 -1.999 3.627 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.280 -1.175 4.819 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.356 -2.735 5.615 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.173 -2.364 6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.920 -0.894 5.769 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.033 0.056 6.853 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.088 -1.369 7.871 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -0.807 -0.835 8.751 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.739 0.584 7.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.408 1.236 9.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.752 1.413 8.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.660 0.090 9.940 1.00 0.00 H new ATOM 416 N SER A 26 -2.160 -5.027 4.460 1.00 0.00 N ATOM 417 CA SER A 26 -1.710 -6.360 4.858 1.00 0.00 C ATOM 418 C SER A 26 -0.704 -6.975 3.871 1.00 0.00 C ATOM 419 O SER A 26 0.282 -7.590 4.284 1.00 0.00 O ATOM 420 CB SER A 26 -2.884 -7.328 5.056 1.00 0.00 C ATOM 421 OG SER A 26 -3.906 -6.750 5.845 1.00 0.00 O ATOM 0 H SER A 26 -3.158 -4.972 4.256 1.00 0.00 H new ATOM 0 HA SER A 26 -1.202 -6.215 5.811 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.290 -7.613 4.085 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.527 -8.241 5.533 1.00 0.00 H new ATOM 0 HG SER A 26 -4.469 -6.178 5.283 1.00 0.00 H new ATOM 427 N LEU A 27 -0.921 -6.801 2.559 1.00 0.00 N ATOM 428 CA LEU A 27 -0.046 -7.340 1.521 1.00 0.00 C ATOM 429 C LEU A 27 1.248 -6.521 1.400 1.00 0.00 C ATOM 430 O LEU A 27 2.320 -7.093 1.192 1.00 0.00 O ATOM 431 CB LEU A 27 -0.786 -7.384 0.174 1.00 0.00 C ATOM 432 CG LEU A 27 -2.106 -8.182 0.052 1.00 0.00 C ATOM 433 CD1 LEU A 27 -2.117 -8.945 -1.256 1.00 0.00 C ATOM 434 CD2 LEU A 27 -2.444 -9.162 1.178 1.00 0.00 C ATOM 0 H LEU A 27 -1.716 -6.278 2.191 1.00 0.00 H new ATOM 0 HA LEU A 27 0.231 -8.355 1.805 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.000 -6.355 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.093 -7.785 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.873 -7.410 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.047 -9.507 -1.342 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.039 -8.244 -2.087 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.273 -9.634 -1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.394 -9.651 0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.658 -9.914 1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.520 -8.621 2.121 1.00 0.00 H new ATOM 446 N LEU A 28 1.176 -5.199 1.597 1.00 0.00 N ATOM 447 CA LEU A 28 2.369 -4.357 1.701 1.00 0.00 C ATOM 448 C LEU A 28 3.189 -4.772 2.926 1.00 0.00 C ATOM 449 O LEU A 28 4.398 -4.913 2.812 1.00 0.00 O ATOM 450 CB LEU A 28 2.028 -2.860 1.785 1.00 0.00 C ATOM 451 CG LEU A 28 3.306 -1.983 1.769 1.00 0.00 C ATOM 452 CD1 LEU A 28 3.945 -1.945 0.381 1.00 0.00 C ATOM 453 CD2 LEU A 28 2.970 -0.582 2.271 1.00 0.00 C ATOM 0 H LEU A 28 0.297 -4.689 1.688 1.00 0.00 H new ATOM 0 HA LEU A 28 2.951 -4.505 0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.386 -2.585 0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.464 -2.665 2.697 1.00 0.00 H new ATOM 0 HG LEU A 28 4.043 -2.427 2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.838 -1.321 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.218 -2.956 0.078 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.235 -1.531 -0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.869 0.034 2.259 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.215 -0.135 1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.585 -0.643 3.289 1.00 0.00 H new ATOM 465 N GLU A 29 2.547 -4.996 4.079 1.00 0.00 N ATOM 466 CA GLU A 29 3.219 -5.422 5.317 1.00 0.00 C ATOM 467 C GLU A 29 4.048 -6.702 5.095 1.00 0.00 C ATOM 468 O GLU A 29 5.186 -6.800 5.561 1.00 0.00 O ATOM 469 CB GLU A 29 2.199 -5.584 6.455 1.00 0.00 C ATOM 470 CG GLU A 29 2.865 -5.861 7.807 1.00 0.00 C ATOM 471 CD GLU A 29 1.816 -5.934 8.935 1.00 0.00 C ATOM 472 OE1 GLU A 29 1.215 -7.016 9.141 1.00 0.00 O ATOM 473 OE2 GLU A 29 1.596 -4.916 9.637 1.00 0.00 O ATOM 0 H GLU A 29 1.538 -4.886 4.182 1.00 0.00 H new ATOM 0 HA GLU A 29 3.921 -4.642 5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.596 -4.679 6.530 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.519 -6.401 6.215 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.418 -6.799 7.759 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.588 -5.076 8.028 1.00 0.00 H new ATOM 480 N GLN A 30 3.524 -7.640 4.298 1.00 0.00 N ATOM 481 CA GLN A 30 4.276 -8.821 3.862 1.00 0.00 C ATOM 482 C GLN A 30 5.531 -8.443 3.052 1.00 0.00 C ATOM 483 O GLN A 30 6.645 -8.862 3.371 1.00 0.00 O ATOM 484 CB GLN A 30 3.348 -9.744 3.060 1.00 0.00 C ATOM 485 CG GLN A 30 3.909 -11.168 2.944 1.00 0.00 C ATOM 486 CD GLN A 30 2.965 -12.083 2.165 1.00 0.00 C ATOM 487 OE1 GLN A 30 3.100 -12.290 0.965 1.00 0.00 O ATOM 488 NE2 GLN A 30 1.973 -12.667 2.806 1.00 0.00 N ATOM 0 H GLN A 30 2.570 -7.602 3.938 1.00 0.00 H new ATOM 0 HA GLN A 30 4.632 -9.350 4.746 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.369 -9.778 3.539 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.200 -9.331 2.062 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.879 -11.138 2.448 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.073 -11.577 3.941 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.846 -12.506 3.805 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.332 -13.281 2.303 1.00 0.00 H new ATOM 497 N TYR A 31 5.365 -7.636 2.005 1.00 0.00 N ATOM 498 CA TYR A 31 6.442 -7.278 1.072 1.00 0.00 C ATOM 499 C TYR A 31 7.527 -6.415 1.736 1.00 0.00 C ATOM 500 O TYR A 31 8.726 -6.551 1.469 1.00 0.00 O ATOM 501 CB TYR A 31 5.816 -6.574 -0.138 1.00 0.00 C ATOM 502 CG TYR A 31 6.767 -6.347 -1.298 1.00 0.00 C ATOM 503 CD1 TYR A 31 7.336 -7.447 -1.961 1.00 0.00 C ATOM 504 CD2 TYR A 31 7.063 -5.045 -1.733 1.00 0.00 C ATOM 505 CE1 TYR A 31 8.170 -7.249 -3.080 1.00 0.00 C ATOM 506 CE2 TYR A 31 7.936 -4.845 -2.821 1.00 0.00 C ATOM 507 CZ TYR A 31 8.484 -5.944 -3.507 1.00 0.00 C ATOM 508 OH TYR A 31 9.306 -5.756 -4.575 1.00 0.00 O ATOM 0 H TYR A 31 4.470 -7.205 1.775 1.00 0.00 H new ATOM 0 HA TYR A 31 6.951 -8.186 0.747 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.971 -7.166 -0.489 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.419 -5.611 0.184 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.134 -8.449 -1.612 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.621 -4.196 -1.233 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.569 -8.100 -3.611 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.186 -3.841 -3.130 1.00 0.00 H new ATOM 0 HH TYR A 31 9.418 -4.796 -4.737 1.00 0.00 H new ATOM 518 N VAL A 32 7.113 -5.551 2.663 1.00 0.00 N ATOM 519 CA VAL A 32 7.973 -4.582 3.343 1.00 0.00 C ATOM 520 C VAL A 32 8.733 -5.193 4.539 1.00 0.00 C ATOM 521 O VAL A 32 9.742 -4.650 4.989 1.00 0.00 O ATOM 522 CB VAL A 32 7.137 -3.336 3.715 1.00 0.00 C ATOM 523 CG1 VAL A 32 6.363 -3.528 5.018 1.00 0.00 C ATOM 524 CG2 VAL A 32 7.944 -2.053 3.871 1.00 0.00 C ATOM 0 H VAL A 32 6.142 -5.505 2.971 1.00 0.00 H new ATOM 0 HA VAL A 32 8.762 -4.269 2.659 1.00 0.00 H new ATOM 0 HB VAL A 32 6.465 -3.229 2.863 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.791 -2.627 5.238 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.683 -4.374 4.916 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.062 -3.721 5.831 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.276 -1.232 4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.685 -2.183 4.660 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.450 -1.825 2.933 1.00 0.00 H new ATOM 534 N LYS A 33 8.295 -6.353 5.043 1.00 0.00 N ATOM 535 CA LYS A 33 9.064 -7.163 6.014 1.00 0.00 C ATOM 536 C LYS A 33 9.926 -8.222 5.304 1.00 0.00 C ATOM 537 O LYS A 33 10.858 -8.760 5.903 1.00 0.00 O ATOM 538 CB LYS A 33 8.167 -7.740 7.124 1.00 0.00 C ATOM 539 CG LYS A 33 7.371 -9.000 6.738 1.00 0.00 C ATOM 540 CD LYS A 33 6.403 -9.453 7.842 1.00 0.00 C ATOM 541 CE LYS A 33 7.148 -9.948 9.089 1.00 0.00 C ATOM 542 NZ LYS A 33 6.206 -10.437 10.132 1.00 0.00 N ATOM 0 H LYS A 33 7.395 -6.763 4.792 1.00 0.00 H new ATOM 0 HA LYS A 33 9.762 -6.499 6.524 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.790 -7.974 7.987 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.464 -6.968 7.438 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.808 -8.803 5.826 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.066 -9.810 6.516 1.00 0.00 H new ATOM 0 HD2 LYS A 33 5.750 -8.624 8.115 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.765 -10.250 7.460 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.832 -10.750 8.811 1.00 0.00 H new ATOM 0 HE3 LYS A 33 7.755 -9.139 9.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.744 -10.764 10.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.570 -9.664 10.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.645 -11.225 9.751 1.00 0.00 H new ATOM 556 N ASP A 34 9.656 -8.476 4.022 1.00 0.00 N ATOM 557 CA ASP A 34 10.467 -9.303 3.115 1.00 0.00 C ATOM 558 C ASP A 34 11.750 -8.581 2.685 1.00 0.00 C ATOM 559 O ASP A 34 12.859 -9.087 2.876 1.00 0.00 O ATOM 560 CB ASP A 34 9.647 -9.663 1.863 1.00 0.00 C ATOM 561 CG ASP A 34 9.435 -11.180 1.737 1.00 0.00 C ATOM 562 OD1 ASP A 34 10.310 -11.861 1.153 1.00 0.00 O ATOM 563 OD2 ASP A 34 8.405 -11.705 2.225 1.00 0.00 O ATOM 0 H ASP A 34 8.829 -8.095 3.563 1.00 0.00 H new ATOM 0 HA ASP A 34 10.747 -10.207 3.655 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.679 -9.163 1.906 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.158 -9.292 0.975 1.00 0.00 H new ATOM 568 N THR A 35 11.591 -7.393 2.090 1.00 0.00 N ATOM 569 CA THR A 35 12.686 -6.572 1.534 1.00 0.00 C ATOM 570 C THR A 35 12.582 -5.105 1.943 1.00 0.00 C ATOM 571 O THR A 35 13.575 -4.376 1.910 1.00 0.00 O ATOM 572 CB THR A 35 12.710 -6.618 -0.003 1.00 0.00 C ATOM 573 OG1 THR A 35 11.501 -6.099 -0.522 1.00 0.00 O ATOM 574 CG2 THR A 35 12.921 -8.016 -0.582 1.00 0.00 C ATOM 0 H THR A 35 10.675 -6.960 1.976 1.00 0.00 H new ATOM 0 HA THR A 35 13.600 -7.004 1.943 1.00 0.00 H new ATOM 0 HB THR A 35 13.566 -6.012 -0.299 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.525 -6.130 -1.501 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.925 -7.962 -1.671 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.875 -8.414 -0.235 1.00 0.00 H new ATOM 0 HG23 THR A 35 12.114 -8.671 -0.254 1.00 0.00 H new ATOM 582 N GLY A 36 11.381 -4.661 2.324 1.00 0.00 N ATOM 583 CA GLY A 36 11.073 -3.259 2.587 1.00 0.00 C ATOM 584 C GLY A 36 10.725 -2.461 1.330 1.00 0.00 C ATOM 585 O GLY A 36 10.232 -1.347 1.436 1.00 0.00 O ATOM 0 H GLY A 36 10.582 -5.281 2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.237 -3.204 3.285 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.928 -2.794 3.077 1.00 0.00 H new ATOM 589 N ASN A 37 10.956 -2.996 0.139 1.00 0.00 N ATOM 590 CA ASN A 37 10.853 -2.239 -1.106 1.00 0.00 C ATOM 591 C ASN A 37 9.411 -1.803 -1.438 1.00 0.00 C ATOM 592 O ASN A 37 8.439 -2.437 -1.027 1.00 0.00 O ATOM 593 CB ASN A 37 11.417 -3.143 -2.217 1.00 0.00 C ATOM 594 CG ASN A 37 12.915 -3.398 -2.121 1.00 0.00 C ATOM 595 OD1 ASN A 37 13.670 -2.702 -1.458 1.00 0.00 O ATOM 596 ND2 ASN A 37 13.402 -4.409 -2.805 1.00 0.00 N ATOM 0 H ASN A 37 11.222 -3.972 0.006 1.00 0.00 H new ATOM 0 HA ASN A 37 11.415 -1.310 -1.010 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.895 -4.100 -2.190 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.199 -2.689 -3.184 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.402 -4.607 -2.780 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.780 -4.995 -3.361 1.00 0.00 H new ATOM 603 N ASP A 38 9.262 -0.723 -2.205 1.00 0.00 N ATOM 604 CA ASP A 38 7.978 -0.346 -2.818 1.00 0.00 C ATOM 605 C ASP A 38 7.707 -1.327 -3.987 1.00 0.00 C ATOM 606 O ASP A 38 8.614 -1.560 -4.791 1.00 0.00 O ATOM 607 CB ASP A 38 8.009 1.091 -3.366 1.00 0.00 C ATOM 608 CG ASP A 38 7.214 2.069 -2.496 1.00 0.00 C ATOM 609 OD1 ASP A 38 7.376 2.093 -1.255 1.00 0.00 O ATOM 610 OD2 ASP A 38 6.402 2.834 -3.057 1.00 0.00 O ATOM 0 H ASP A 38 10.025 -0.082 -2.422 1.00 0.00 H new ATOM 0 HA ASP A 38 7.195 -0.395 -2.061 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.043 1.428 -3.433 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.605 1.099 -4.378 1.00 0.00 H new ATOM 615 N PRO A 39 6.499 -1.901 -4.149 1.00 0.00 N ATOM 616 CA PRO A 39 6.198 -2.927 -5.169 1.00 0.00 C ATOM 617 C PRO A 39 6.503 -2.593 -6.645 1.00 0.00 C ATOM 618 O PRO A 39 6.484 -3.505 -7.474 1.00 0.00 O ATOM 619 CB PRO A 39 4.699 -3.195 -5.015 1.00 0.00 C ATOM 620 CG PRO A 39 4.445 -2.920 -3.540 1.00 0.00 C ATOM 621 CD PRO A 39 5.376 -1.754 -3.233 1.00 0.00 C ATOM 0 HA PRO A 39 6.861 -3.771 -4.979 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.106 -2.541 -5.654 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.444 -4.220 -5.283 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.403 -2.662 -3.353 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.673 -3.790 -2.924 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.871 -0.799 -3.381 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.710 -1.781 -2.196 1.00 0.00 H new ATOM 629 N ILE A 40 6.753 -1.323 -7.002 1.00 0.00 N ATOM 630 CA ILE A 40 6.906 -0.862 -8.398 1.00 0.00 C ATOM 631 C ILE A 40 8.261 -0.177 -8.620 1.00 0.00 C ATOM 632 O ILE A 40 8.971 -0.510 -9.572 1.00 0.00 O ATOM 633 CB ILE A 40 5.713 0.045 -8.788 1.00 0.00 C ATOM 634 CG1 ILE A 40 4.404 -0.780 -8.832 1.00 0.00 C ATOM 635 CG2 ILE A 40 5.934 0.736 -10.151 1.00 0.00 C ATOM 636 CD1 ILE A 40 3.148 0.091 -8.752 1.00 0.00 C ATOM 0 H ILE A 40 6.857 -0.572 -6.319 1.00 0.00 H new ATOM 0 HA ILE A 40 6.895 -1.729 -9.058 1.00 0.00 H new ATOM 0 HB ILE A 40 5.635 0.821 -8.026 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.378 -1.362 -9.753 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.400 -1.491 -8.006 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.073 1.362 -10.385 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.831 1.354 -10.104 1.00 0.00 H new ATOM 0 HG23 ILE A 40 6.055 -0.020 -10.927 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.262 -0.543 -8.787 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.154 0.654 -7.818 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.132 0.784 -9.593 1.00 0.00 H new ATOM 648 N THR A 41 8.638 0.762 -7.746 1.00 0.00 N ATOM 649 CA THR A 41 9.924 1.487 -7.841 1.00 0.00 C ATOM 650 C THR A 41 11.085 0.745 -7.171 1.00 0.00 C ATOM 651 O THR A 41 12.243 1.127 -7.348 1.00 0.00 O ATOM 652 CB THR A 41 9.841 2.896 -7.247 1.00 0.00 C ATOM 653 OG1 THR A 41 9.254 2.814 -5.978 1.00 0.00 O ATOM 654 CG2 THR A 41 8.976 3.831 -8.089 1.00 0.00 C ATOM 0 H THR A 41 8.066 1.046 -6.951 1.00 0.00 H new ATOM 0 HA THR A 41 10.123 1.552 -8.911 1.00 0.00 H new ATOM 0 HB THR A 41 10.855 3.295 -7.211 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.434 3.350 -5.962 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.949 4.817 -7.626 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.397 3.912 -9.091 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.964 3.432 -8.152 1.00 0.00 H new ATOM 662 N ASN A 42 10.789 -0.312 -6.402 1.00 0.00 N ATOM 663 CA ASN A 42 11.673 -1.047 -5.507 1.00 0.00 C ATOM 664 C ASN A 42 12.507 -0.179 -4.547 1.00 0.00 C ATOM 665 O ASN A 42 13.553 -0.613 -4.061 1.00 0.00 O ATOM 666 CB ASN A 42 12.396 -2.165 -6.270 1.00 0.00 C ATOM 667 CG ASN A 42 13.549 -1.724 -7.161 1.00 0.00 C ATOM 668 OD1 ASN A 42 13.493 -1.814 -8.383 1.00 0.00 O ATOM 669 ND2 ASN A 42 14.649 -1.279 -6.595 1.00 0.00 N ATOM 0 H ASN A 42 9.846 -0.701 -6.394 1.00 0.00 H new ATOM 0 HA ASN A 42 11.058 -1.561 -4.768 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.777 -2.885 -5.546 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.666 -2.689 -6.887 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.447 -1.012 -7.171 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.704 -1.201 -5.580 1.00 0.00 H new ATOM 676 N GLU A 43 12.033 1.031 -4.238 1.00 0.00 N ATOM 677 CA GLU A 43 12.675 1.945 -3.287 1.00 0.00 C ATOM 678 C GLU A 43 12.647 1.344 -1.868 1.00 0.00 C ATOM 679 O GLU A 43 11.549 1.073 -1.372 1.00 0.00 O ATOM 680 CB GLU A 43 11.940 3.289 -3.325 1.00 0.00 C ATOM 681 CG GLU A 43 12.176 4.006 -4.660 1.00 0.00 C ATOM 682 CD GLU A 43 13.269 5.085 -4.553 1.00 0.00 C ATOM 683 OE1 GLU A 43 14.460 4.727 -4.380 1.00 0.00 O ATOM 684 OE2 GLU A 43 12.951 6.295 -4.651 1.00 0.00 O ATOM 0 H GLU A 43 11.179 1.410 -4.648 1.00 0.00 H new ATOM 0 HA GLU A 43 13.718 2.097 -3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 43 10.872 3.128 -3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 43 12.283 3.919 -2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 43 12.461 3.276 -5.418 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.245 4.465 -4.994 1.00 0.00 H new ATOM 691 N PRO A 44 13.801 1.074 -1.220 1.00 0.00 N ATOM 692 CA PRO A 44 13.856 0.471 0.115 1.00 0.00 C ATOM 693 C PRO A 44 13.053 1.236 1.177 1.00 0.00 C ATOM 694 O PRO A 44 13.203 2.456 1.318 1.00 0.00 O ATOM 695 CB PRO A 44 15.343 0.408 0.490 1.00 0.00 C ATOM 696 CG PRO A 44 16.042 0.349 -0.864 1.00 0.00 C ATOM 697 CD PRO A 44 15.154 1.229 -1.741 1.00 0.00 C ATOM 0 HA PRO A 44 13.392 -0.515 0.086 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.651 1.282 1.064 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.568 -0.468 1.098 1.00 0.00 H new ATOM 0 HG2 PRO A 44 17.062 0.730 -0.810 1.00 0.00 H new ATOM 0 HG3 PRO A 44 16.103 -0.671 -1.244 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.472 2.271 -1.699 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.208 0.921 -2.785 1.00 0.00 H new ATOM 705 N LEU A 45 12.255 0.488 1.948 1.00 0.00 N ATOM 706 CA LEU A 45 11.280 0.923 2.966 1.00 0.00 C ATOM 707 C LEU A 45 10.029 1.565 2.327 1.00 0.00 C ATOM 708 O LEU A 45 10.094 2.242 1.301 1.00 0.00 O ATOM 709 CB LEU A 45 11.901 1.767 4.103 1.00 0.00 C ATOM 710 CG LEU A 45 12.805 0.982 5.075 1.00 0.00 C ATOM 711 CD1 LEU A 45 14.160 0.567 4.489 1.00 0.00 C ATOM 712 CD2 LEU A 45 13.097 1.852 6.301 1.00 0.00 C ATOM 0 H LEU A 45 12.274 -0.529 1.872 1.00 0.00 H new ATOM 0 HA LEU A 45 10.937 0.018 3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.484 2.574 3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.096 2.231 4.673 1.00 0.00 H new ATOM 0 HG LEU A 45 12.254 0.072 5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.730 0.021 5.241 1.00 0.00 H new ATOM 0 HD12 LEU A 45 14.000 -0.071 3.620 1.00 0.00 H new ATOM 0 HD13 LEU A 45 14.715 1.456 4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 45 13.736 1.303 6.993 1.00 0.00 H new ATOM 0 HD22 LEU A 45 13.602 2.765 5.987 1.00 0.00 H new ATOM 0 HD23 LEU A 45 12.161 2.108 6.797 1.00 0.00 H new ATOM 724 N SER A 46 8.868 1.335 2.944 1.00 0.00 N ATOM 725 CA SER A 46 7.537 1.661 2.414 1.00 0.00 C ATOM 726 C SER A 46 6.600 2.126 3.526 1.00 0.00 C ATOM 727 O SER A 46 6.162 3.273 3.555 1.00 0.00 O ATOM 728 CB SER A 46 6.954 0.474 1.639 1.00 0.00 C ATOM 729 OG SER A 46 6.030 0.948 0.688 1.00 0.00 O ATOM 0 H SER A 46 8.825 0.899 3.865 1.00 0.00 H new ATOM 0 HA SER A 46 7.643 2.490 1.714 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.752 -0.079 1.143 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.465 -0.218 2.325 1.00 0.00 H new ATOM 0 HG SER A 46 6.512 1.368 -0.055 1.00 0.00 H new ATOM 735 N ILE A 47 6.347 1.249 4.497 1.00 0.00 N ATOM 736 CA ILE A 47 5.470 1.462 5.644 1.00 0.00 C ATOM 737 C ILE A 47 5.883 2.581 6.608 1.00 0.00 C ATOM 738 O ILE A 47 5.032 3.239 7.201 1.00 0.00 O ATOM 739 CB ILE A 47 5.260 0.104 6.338 1.00 0.00 C ATOM 740 CG1 ILE A 47 3.997 0.079 7.213 1.00 0.00 C ATOM 741 CG2 ILE A 47 6.496 -0.363 7.131 1.00 0.00 C ATOM 742 CD1 ILE A 47 3.360 -1.312 7.155 1.00 0.00 C ATOM 0 H ILE A 47 6.772 0.322 4.503 1.00 0.00 H new ATOM 0 HA ILE A 47 4.523 1.847 5.265 1.00 0.00 H new ATOM 0 HB ILE A 47 5.111 -0.613 5.531 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.251 0.331 8.243 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.287 0.830 6.866 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.287 -1.326 7.597 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.345 -0.464 6.455 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.732 0.370 7.902 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.464 -1.328 7.776 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.092 -1.547 6.125 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.070 -2.053 7.523 1.00 0.00 H new ATOM 754 N GLU A 48 7.177 2.885 6.682 1.00 0.00 N ATOM 755 CA GLU A 48 7.717 4.049 7.395 1.00 0.00 C ATOM 756 C GLU A 48 7.386 5.377 6.683 1.00 0.00 C ATOM 757 O GLU A 48 7.644 6.459 7.215 1.00 0.00 O ATOM 758 CB GLU A 48 9.236 3.889 7.586 1.00 0.00 C ATOM 759 CG GLU A 48 9.617 2.716 8.505 1.00 0.00 C ATOM 760 CD GLU A 48 9.077 2.896 9.938 1.00 0.00 C ATOM 761 OE1 GLU A 48 9.591 3.768 10.683 1.00 0.00 O ATOM 762 OE2 GLU A 48 8.143 2.162 10.342 1.00 0.00 O ATOM 0 H GLU A 48 7.899 2.318 6.239 1.00 0.00 H new ATOM 0 HA GLU A 48 7.237 4.092 8.373 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.704 3.744 6.612 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.642 4.812 8.000 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.228 1.788 8.086 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.702 2.620 8.537 1.00 0.00 H new ATOM 769 N GLU A 49 6.785 5.303 5.491 1.00 0.00 N ATOM 770 CA GLU A 49 6.360 6.436 4.654 1.00 0.00 C ATOM 771 C GLU A 49 4.889 6.316 4.209 1.00 0.00 C ATOM 772 O GLU A 49 4.428 7.053 3.334 1.00 0.00 O ATOM 773 CB GLU A 49 7.313 6.577 3.450 1.00 0.00 C ATOM 774 CG GLU A 49 8.754 6.906 3.866 1.00 0.00 C ATOM 775 CD GLU A 49 9.629 7.198 2.635 1.00 0.00 C ATOM 776 OE1 GLU A 49 9.785 6.295 1.779 1.00 0.00 O ATOM 777 OE2 GLU A 49 10.168 8.325 2.517 1.00 0.00 O ATOM 0 H GLU A 49 6.569 4.405 5.059 1.00 0.00 H new ATOM 0 HA GLU A 49 6.417 7.344 5.255 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.308 5.649 2.878 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.943 7.361 2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.756 7.769 4.531 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.175 6.071 4.426 1.00 0.00 H new ATOM 784 N ILE A 50 4.143 5.383 4.811 1.00 0.00 N ATOM 785 CA ILE A 50 2.789 4.988 4.421 1.00 0.00 C ATOM 786 C ILE A 50 1.764 6.131 4.415 1.00 0.00 C ATOM 787 O ILE A 50 1.745 7.017 5.273 1.00 0.00 O ATOM 788 CB ILE A 50 2.327 3.819 5.313 1.00 0.00 C ATOM 789 CG1 ILE A 50 1.143 3.059 4.694 1.00 0.00 C ATOM 790 CG2 ILE A 50 2.013 4.238 6.762 1.00 0.00 C ATOM 791 CD1 ILE A 50 1.115 1.601 5.162 1.00 0.00 C ATOM 0 H ILE A 50 4.483 4.861 5.618 1.00 0.00 H new ATOM 0 HA ILE A 50 2.841 4.671 3.379 1.00 0.00 H new ATOM 0 HB ILE A 50 3.179 3.142 5.365 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.209 3.550 4.968 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.214 3.093 3.607 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.694 3.365 7.332 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.906 4.664 7.219 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.216 4.982 6.761 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.267 1.089 4.708 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.039 1.106 4.865 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.019 1.569 6.247 1.00 0.00 H new ATOM 803 N VAL A 51 0.867 6.044 3.438 1.00 0.00 N ATOM 804 CA VAL A 51 -0.345 6.860 3.268 1.00 0.00 C ATOM 805 C VAL A 51 -1.574 5.941 3.263 1.00 0.00 C ATOM 806 O VAL A 51 -2.015 5.473 2.215 1.00 0.00 O ATOM 807 CB VAL A 51 -0.256 7.742 2.002 1.00 0.00 C ATOM 808 CG1 VAL A 51 -1.459 8.688 1.894 1.00 0.00 C ATOM 809 CG2 VAL A 51 1.012 8.608 1.986 1.00 0.00 C ATOM 0 H VAL A 51 0.968 5.358 2.690 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.441 7.551 4.106 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.238 7.048 1.162 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.365 9.294 0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.378 8.104 1.845 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.489 9.339 2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.030 9.210 1.077 1.00 0.00 H new ATOM 0 HG22 VAL A 51 1.015 9.264 2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.892 7.965 2.013 1.00 0.00 H new ATOM 819 N GLU A 52 -2.113 5.620 4.442 1.00 0.00 N ATOM 820 CA GLU A 52 -3.369 4.863 4.559 1.00 0.00 C ATOM 821 C GLU A 52 -4.581 5.721 4.159 1.00 0.00 C ATOM 822 O GLU A 52 -4.784 6.829 4.665 1.00 0.00 O ATOM 823 CB GLU A 52 -3.499 4.246 5.961 1.00 0.00 C ATOM 824 CG GLU A 52 -4.779 3.404 6.123 1.00 0.00 C ATOM 825 CD GLU A 52 -4.774 2.495 7.369 1.00 0.00 C ATOM 826 OE1 GLU A 52 -3.859 2.584 8.222 1.00 0.00 O ATOM 827 OE2 GLU A 52 -5.695 1.653 7.499 1.00 0.00 O ATOM 0 H GLU A 52 -1.697 5.874 5.338 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.346 4.034 3.852 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.629 3.620 6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.496 5.042 6.706 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.638 4.073 6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.911 2.786 5.235 1.00 0.00 H new ATOM 834 N ILE A 53 -5.378 5.210 3.219 1.00 0.00 N ATOM 835 CA ILE A 53 -6.537 5.870 2.611 1.00 0.00 C ATOM 836 C ILE A 53 -7.757 5.703 3.535 1.00 0.00 C ATOM 837 O ILE A 53 -8.618 4.840 3.338 1.00 0.00 O ATOM 838 CB ILE A 53 -6.768 5.326 1.176 1.00 0.00 C ATOM 839 CG1 ILE A 53 -5.491 5.294 0.299 1.00 0.00 C ATOM 840 CG2 ILE A 53 -7.870 6.123 0.455 1.00 0.00 C ATOM 841 CD1 ILE A 53 -4.777 6.637 0.098 1.00 0.00 C ATOM 0 H ILE A 53 -5.225 4.275 2.841 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.360 6.940 2.505 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.082 4.291 1.310 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.785 4.594 0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.757 4.897 -0.681 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.012 5.722 -0.548 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -8.802 6.042 1.014 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -7.577 7.171 0.388 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.899 6.492 -0.531 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -5.456 7.341 -0.383 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.469 7.033 1.065 1.00 0.00 H new