USER MOD reduce.3.24.130724 H: found=0, std=0, add=371, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 373 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 26 SER OG : rot 136:sc= 0.152 USER MOD Set 1.2: A 49 THR OG1 : rot 180:sc= -2.35! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 55:sc= 0.0853 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 162:sc= 0.0314 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -6:sc= 0.931 USER MOD Single : A 18 MET CE :methyl 149:sc= -0.216 (180deg=-1.5!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc= -0.0863 F(o=-0.92,f=-0.086) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 120:sc= -0.0708 USER MOD Single : A 31 TYR OH : rot 17:sc= -4.33! USER MOD Single : A 33 ASN : amide:sc= -2.34! C(o=-2.3!,f=-9.9!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.061) USER MOD Single : A 44 SER OG : rot -110:sc= -0.279 USER MOD Single : A 45 ASN :FLIP amide:sc= -0.0496 F(o=-1.5,f=-0.05) USER MOD Single : A 47 THR OG1 : rot -108:sc= 1.2 USER MOD Single : A 51 SER OG : rot 53:sc= -3.84! USER MOD Single : A 52 HIS : no HE2:sc= -6.67! C(o=-6.7!,f=-10!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 3 8.550 7.939 -7.406 1.00 0.00 N ATOM 2 CA ALA A 3 9.494 6.979 -8.046 1.00 0.00 C ATOM 3 C ALA A 3 8.745 6.149 -9.092 1.00 0.00 C ATOM 4 O ALA A 3 9.274 5.826 -10.137 1.00 0.00 O ATOM 5 CB ALA A 3 10.080 6.051 -6.980 1.00 0.00 C ATOM 0 HA ALA A 3 10.301 7.530 -8.529 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.770 5.349 -7.448 1.00 0.00 H new ATOM 0 HB2 ALA A 3 10.613 6.643 -6.236 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.275 5.499 -6.495 1.00 0.00 H new ATOM 13 N VAL A 4 7.516 5.801 -8.819 1.00 0.00 N ATOM 14 CA VAL A 4 6.734 4.994 -9.799 1.00 0.00 C ATOM 15 C VAL A 4 5.264 5.412 -9.740 1.00 0.00 C ATOM 16 O VAL A 4 4.769 5.833 -8.714 1.00 0.00 O ATOM 17 CB VAL A 4 6.856 3.509 -9.456 1.00 0.00 C ATOM 18 CG1 VAL A 4 6.071 2.684 -10.477 1.00 0.00 C ATOM 19 CG2 VAL A 4 8.331 3.097 -9.496 1.00 0.00 C ATOM 0 H VAL A 4 7.020 6.041 -7.960 1.00 0.00 H new ATOM 0 HA VAL A 4 7.123 5.165 -10.803 1.00 0.00 H new ATOM 0 HB VAL A 4 6.454 3.332 -8.458 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.158 1.625 -10.233 1.00 0.00 H new ATOM 0 HG12 VAL A 4 5.022 2.977 -10.452 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.474 2.861 -11.474 1.00 0.00 H new ATOM 0 HG21 VAL A 4 8.420 2.038 -9.252 1.00 0.00 H new ATOM 0 HG22 VAL A 4 8.731 3.274 -10.494 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.893 3.685 -8.770 1.00 0.00 H new ATOM 29 N SER A 5 4.563 5.303 -10.835 1.00 0.00 N ATOM 30 CA SER A 5 3.126 5.697 -10.842 1.00 0.00 C ATOM 31 C SER A 5 2.250 4.442 -10.828 1.00 0.00 C ATOM 32 O SER A 5 2.496 3.494 -11.548 1.00 0.00 O ATOM 33 CB SER A 5 2.828 6.514 -12.098 1.00 0.00 C ATOM 34 OG SER A 5 1.704 7.352 -11.859 1.00 0.00 O ATOM 0 H SER A 5 4.923 4.958 -11.725 1.00 0.00 H new ATOM 0 HA SER A 5 2.911 6.298 -9.958 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.695 7.117 -12.367 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.628 5.850 -12.939 1.00 0.00 H new ATOM 0 HG SER A 5 1.512 7.879 -12.663 1.00 0.00 H new ATOM 40 N VAL A 6 1.229 4.427 -10.014 1.00 0.00 N ATOM 41 CA VAL A 6 0.340 3.233 -9.955 1.00 0.00 C ATOM 42 C VAL A 6 -1.080 3.638 -10.356 1.00 0.00 C ATOM 43 O VAL A 6 -1.555 4.700 -10.006 1.00 0.00 O ATOM 44 CB VAL A 6 0.326 2.673 -8.531 1.00 0.00 C ATOM 45 CG1 VAL A 6 -0.127 3.762 -7.556 1.00 0.00 C ATOM 46 CG2 VAL A 6 -0.645 1.492 -8.458 1.00 0.00 C ATOM 0 H VAL A 6 0.973 5.190 -9.388 1.00 0.00 H new ATOM 0 HA VAL A 6 0.711 2.470 -10.640 1.00 0.00 H new ATOM 0 HB VAL A 6 1.329 2.340 -8.263 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.136 3.362 -6.542 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.562 4.605 -7.607 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.130 4.096 -7.824 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.656 1.092 -7.444 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.647 1.827 -8.727 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.325 0.714 -9.151 1.00 0.00 H new ATOM 56 N ASP A 7 -1.763 2.800 -11.087 1.00 0.00 N ATOM 57 CA ASP A 7 -3.151 3.141 -11.508 1.00 0.00 C ATOM 58 C ASP A 7 -4.146 2.245 -10.765 1.00 0.00 C ATOM 59 O ASP A 7 -4.253 1.065 -11.032 1.00 0.00 O ATOM 60 CB ASP A 7 -3.296 2.925 -13.016 1.00 0.00 C ATOM 61 CG ASP A 7 -2.362 3.880 -13.760 1.00 0.00 C ATOM 62 OD1 ASP A 7 -1.163 3.781 -13.557 1.00 0.00 O ATOM 63 OD2 ASP A 7 -2.860 4.695 -14.518 1.00 0.00 O ATOM 0 H ASP A 7 -1.420 1.895 -11.410 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.355 4.185 -11.270 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -3.056 1.893 -13.271 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -4.328 3.097 -13.321 1.00 0.00 H new ATOM 68 N CYS A 8 -4.876 2.801 -9.837 1.00 0.00 N ATOM 69 CA CYS A 8 -5.867 1.987 -9.078 1.00 0.00 C ATOM 70 C CYS A 8 -7.189 2.754 -9.000 1.00 0.00 C ATOM 71 O CYS A 8 -7.818 2.818 -7.962 1.00 0.00 O ATOM 72 CB CYS A 8 -5.342 1.727 -7.664 1.00 0.00 C ATOM 73 SG CYS A 8 -4.403 0.179 -7.644 1.00 0.00 S ATOM 0 H CYS A 8 -4.829 3.785 -9.572 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.024 1.034 -9.583 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -4.708 2.553 -7.342 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.173 1.670 -6.961 1.00 0.00 H new ATOM 78 N SER A 9 -7.604 3.337 -10.095 1.00 0.00 N ATOM 79 CA SER A 9 -8.876 4.113 -10.117 1.00 0.00 C ATOM 80 C SER A 9 -9.986 3.317 -9.433 1.00 0.00 C ATOM 81 O SER A 9 -10.727 2.588 -10.065 1.00 0.00 O ATOM 82 CB SER A 9 -9.274 4.393 -11.567 1.00 0.00 C ATOM 83 OG SER A 9 -9.049 3.228 -12.348 1.00 0.00 O ATOM 0 H SER A 9 -7.108 3.307 -10.986 1.00 0.00 H new ATOM 0 HA SER A 9 -8.730 5.053 -9.585 1.00 0.00 H new ATOM 0 HB2 SER A 9 -10.324 4.683 -11.619 1.00 0.00 H new ATOM 0 HB3 SER A 9 -8.693 5.227 -11.961 1.00 0.00 H new ATOM 0 HG SER A 9 -9.524 2.469 -11.948 1.00 0.00 H new ATOM 89 N GLU A 10 -10.106 3.457 -8.147 1.00 0.00 N ATOM 90 CA GLU A 10 -11.165 2.718 -7.407 1.00 0.00 C ATOM 91 C GLU A 10 -10.803 1.235 -7.333 1.00 0.00 C ATOM 92 O GLU A 10 -11.480 0.393 -7.887 1.00 0.00 O ATOM 93 CB GLU A 10 -12.503 2.881 -8.129 1.00 0.00 C ATOM 94 CG GLU A 10 -13.620 3.046 -7.097 1.00 0.00 C ATOM 95 CD GLU A 10 -14.601 1.877 -7.213 1.00 0.00 C ATOM 96 OE1 GLU A 10 -14.213 0.856 -7.754 1.00 0.00 O ATOM 97 OE2 GLU A 10 -15.723 2.025 -6.759 1.00 0.00 O ATOM 0 H GLU A 10 -9.513 4.055 -7.571 1.00 0.00 H new ATOM 0 HA GLU A 10 -11.245 3.121 -6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -12.470 3.749 -8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -12.698 2.012 -8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.199 3.082 -6.092 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -14.142 3.989 -7.258 1.00 0.00 H new ATOM 104 N TYR A 11 -9.741 0.908 -6.646 1.00 0.00 N ATOM 105 CA TYR A 11 -9.341 -0.525 -6.533 1.00 0.00 C ATOM 106 C TYR A 11 -9.140 -0.895 -5.057 1.00 0.00 C ATOM 107 O TYR A 11 -8.054 -1.273 -4.661 1.00 0.00 O ATOM 108 CB TYR A 11 -8.032 -0.752 -7.294 1.00 0.00 C ATOM 109 CG TYR A 11 -7.901 -2.214 -7.648 1.00 0.00 C ATOM 110 CD1 TYR A 11 -8.607 -2.735 -8.738 1.00 0.00 C ATOM 111 CD2 TYR A 11 -7.073 -3.049 -6.887 1.00 0.00 C ATOM 112 CE1 TYR A 11 -8.486 -4.089 -9.069 1.00 0.00 C ATOM 113 CE2 TYR A 11 -6.953 -4.405 -7.218 1.00 0.00 C ATOM 114 CZ TYR A 11 -7.660 -4.925 -8.309 1.00 0.00 C ATOM 115 OH TYR A 11 -7.543 -6.260 -8.634 1.00 0.00 O ATOM 0 H TYR A 11 -9.135 1.569 -6.160 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.126 -1.150 -6.958 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -8.016 -0.145 -8.199 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -7.185 -0.438 -6.684 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -9.246 -2.091 -9.324 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -6.527 -2.648 -6.046 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -9.030 -4.489 -9.912 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -6.315 -5.049 -6.631 1.00 0.00 H new ATOM 0 HH TYR A 11 -6.930 -6.697 -8.007 1.00 0.00 H new ATOM 125 N PRO A 12 -10.195 -0.784 -4.287 1.00 0.00 N ATOM 126 CA PRO A 12 -10.166 -1.110 -2.850 1.00 0.00 C ATOM 127 C PRO A 12 -10.196 -2.628 -2.648 1.00 0.00 C ATOM 128 O PRO A 12 -11.201 -3.272 -2.867 1.00 0.00 O ATOM 129 CB PRO A 12 -11.441 -0.462 -2.305 1.00 0.00 C ATOM 130 CG PRO A 12 -12.394 -0.299 -3.513 1.00 0.00 C ATOM 131 CD PRO A 12 -11.511 -0.323 -4.775 1.00 0.00 C ATOM 0 HA PRO A 12 -9.267 -0.753 -2.348 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -11.894 -1.084 -1.533 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -11.222 0.504 -1.849 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.129 -1.104 -3.539 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -12.949 0.637 -3.446 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -11.914 -0.997 -5.531 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -11.443 0.664 -5.232 1.00 0.00 H new ATOM 139 N LYS A 13 -9.101 -3.200 -2.230 1.00 0.00 N ATOM 140 CA LYS A 13 -9.069 -4.673 -2.015 1.00 0.00 C ATOM 141 C LYS A 13 -8.198 -4.989 -0.798 1.00 0.00 C ATOM 142 O LYS A 13 -7.030 -5.290 -0.922 1.00 0.00 O ATOM 143 CB LYS A 13 -8.479 -5.357 -3.251 1.00 0.00 C ATOM 144 CG LYS A 13 -9.053 -4.716 -4.517 1.00 0.00 C ATOM 145 CD LYS A 13 -10.495 -5.184 -4.722 1.00 0.00 C ATOM 146 CE LYS A 13 -11.195 -4.260 -5.722 1.00 0.00 C ATOM 147 NZ LYS A 13 -11.363 -4.968 -7.021 1.00 0.00 N ATOM 0 H LYS A 13 -8.228 -2.712 -2.028 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.082 -5.038 -1.846 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.393 -5.266 -3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.709 -6.422 -3.234 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -9.021 -3.630 -4.433 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.446 -4.987 -5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -10.507 -6.210 -5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -11.029 -5.179 -3.772 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -12.167 -3.956 -5.333 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.610 -3.351 -5.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -12.086 -4.483 -7.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.460 -4.967 -7.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -11.661 -5.949 -6.846 1.00 0.00 H new ATOM 161 N CYS A 14 -8.755 -4.925 0.379 1.00 0.00 N ATOM 162 CA CYS A 14 -7.949 -5.225 1.597 1.00 0.00 C ATOM 163 C CYS A 14 -8.141 -6.691 1.983 1.00 0.00 C ATOM 164 O CYS A 14 -8.198 -7.035 3.148 1.00 0.00 O ATOM 165 CB CYS A 14 -8.402 -4.331 2.751 1.00 0.00 C ATOM 166 SG CYS A 14 -7.319 -2.885 2.847 1.00 0.00 S ATOM 0 H CYS A 14 -9.730 -4.679 0.551 1.00 0.00 H new ATOM 0 HA CYS A 14 -6.896 -5.035 1.388 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.435 -4.017 2.599 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.372 -4.885 3.689 1.00 0.00 H new ATOM 171 N ALA A 15 -8.245 -7.559 1.015 1.00 0.00 N ATOM 172 CA ALA A 15 -8.434 -9.002 1.331 1.00 0.00 C ATOM 173 C ALA A 15 -7.374 -9.829 0.601 1.00 0.00 C ATOM 174 O ALA A 15 -7.499 -11.030 0.463 1.00 0.00 O ATOM 175 CB ALA A 15 -9.827 -9.445 0.875 1.00 0.00 C ATOM 0 H ALA A 15 -8.207 -7.332 0.021 1.00 0.00 H new ATOM 0 HA ALA A 15 -8.336 -9.153 2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.967 -10.501 1.106 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.584 -8.857 1.394 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.924 -9.293 -0.200 1.00 0.00 H new ATOM 181 N CYS A 16 -6.329 -9.201 0.134 1.00 0.00 N ATOM 182 CA CYS A 16 -5.266 -9.962 -0.582 1.00 0.00 C ATOM 183 C CYS A 16 -4.358 -10.648 0.437 1.00 0.00 C ATOM 184 O CYS A 16 -4.128 -10.144 1.518 1.00 0.00 O ATOM 185 CB CYS A 16 -4.432 -9.010 -1.438 1.00 0.00 C ATOM 186 SG CYS A 16 -5.479 -8.254 -2.707 1.00 0.00 S ATOM 0 H CYS A 16 -6.166 -8.198 0.217 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.733 -10.710 -1.223 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -3.988 -8.237 -0.811 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -3.610 -9.552 -1.906 1.00 0.00 H new ATOM 191 N THR A 17 -3.842 -11.795 0.100 1.00 0.00 N ATOM 192 CA THR A 17 -2.947 -12.517 1.050 1.00 0.00 C ATOM 193 C THR A 17 -2.123 -13.556 0.288 1.00 0.00 C ATOM 194 O THR A 17 -2.352 -14.745 0.402 1.00 0.00 O ATOM 195 CB THR A 17 -3.796 -13.217 2.114 1.00 0.00 C ATOM 196 OG1 THR A 17 -4.387 -12.244 2.964 1.00 0.00 O ATOM 197 CG2 THR A 17 -2.911 -14.151 2.939 1.00 0.00 C ATOM 0 H THR A 17 -4.000 -12.265 -0.791 1.00 0.00 H new ATOM 0 HA THR A 17 -2.275 -11.805 1.530 1.00 0.00 H new ATOM 0 HB THR A 17 -4.581 -13.798 1.630 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.035 -11.357 2.740 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.515 -14.650 3.697 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.461 -14.898 2.285 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.125 -13.573 3.425 1.00 0.00 H new ATOM 205 N MET A 18 -1.169 -13.127 -0.491 1.00 0.00 N ATOM 206 CA MET A 18 -0.345 -14.105 -1.254 1.00 0.00 C ATOM 207 C MET A 18 0.965 -13.454 -1.689 1.00 0.00 C ATOM 208 O MET A 18 2.030 -13.801 -1.219 1.00 0.00 O ATOM 209 CB MET A 18 -1.118 -14.560 -2.492 1.00 0.00 C ATOM 210 CG MET A 18 -0.305 -15.618 -3.242 1.00 0.00 C ATOM 211 SD MET A 18 -1.375 -17.018 -3.655 1.00 0.00 S ATOM 212 CE MET A 18 -2.673 -16.073 -4.491 1.00 0.00 C ATOM 0 H MET A 18 -0.925 -12.147 -0.632 1.00 0.00 H new ATOM 0 HA MET A 18 -0.126 -14.963 -0.618 1.00 0.00 H new ATOM 0 HB2 MET A 18 -2.085 -14.969 -2.200 1.00 0.00 H new ATOM 0 HB3 MET A 18 -1.316 -13.709 -3.143 1.00 0.00 H new ATOM 0 HG2 MET A 18 0.119 -15.190 -4.150 1.00 0.00 H new ATOM 0 HG3 MET A 18 0.530 -15.954 -2.627 1.00 0.00 H new ATOM 0 HE1 MET A 18 -3.125 -16.686 -5.271 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.436 -15.785 -3.768 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.241 -15.178 -4.938 1.00 0.00 H new ATOM 222 N GLU A 19 0.893 -12.519 -2.590 1.00 0.00 N ATOM 223 CA GLU A 19 2.133 -11.847 -3.071 1.00 0.00 C ATOM 224 C GLU A 19 2.768 -11.057 -1.927 1.00 0.00 C ATOM 225 O GLU A 19 2.266 -10.028 -1.517 1.00 0.00 O ATOM 226 CB GLU A 19 1.786 -10.894 -4.216 1.00 0.00 C ATOM 227 CG GLU A 19 3.076 -10.354 -4.840 1.00 0.00 C ATOM 228 CD GLU A 19 3.301 -11.010 -6.204 1.00 0.00 C ATOM 229 OE1 GLU A 19 3.601 -12.193 -6.229 1.00 0.00 O ATOM 230 OE2 GLU A 19 3.169 -10.320 -7.201 1.00 0.00 O ATOM 0 H GLU A 19 0.028 -12.188 -3.017 1.00 0.00 H new ATOM 0 HA GLU A 19 2.837 -12.601 -3.424 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.195 -11.414 -4.970 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.176 -10.070 -3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.012 -9.272 -4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.922 -10.557 -4.184 1.00 0.00 H new ATOM 237 N TYR A 20 3.874 -11.523 -1.412 1.00 0.00 N ATOM 238 CA TYR A 20 4.544 -10.791 -0.301 1.00 0.00 C ATOM 239 C TYR A 20 5.536 -9.786 -0.885 1.00 0.00 C ATOM 240 O TYR A 20 6.450 -10.139 -1.605 1.00 0.00 O ATOM 241 CB TYR A 20 5.291 -11.779 0.597 1.00 0.00 C ATOM 242 CG TYR A 20 5.365 -11.223 2.001 1.00 0.00 C ATOM 243 CD1 TYR A 20 6.317 -10.246 2.319 1.00 0.00 C ATOM 244 CD2 TYR A 20 4.479 -11.681 2.984 1.00 0.00 C ATOM 245 CE1 TYR A 20 6.386 -9.731 3.619 1.00 0.00 C ATOM 246 CE2 TYR A 20 4.547 -11.165 4.285 1.00 0.00 C ATOM 247 CZ TYR A 20 5.501 -10.190 4.603 1.00 0.00 C ATOM 248 OH TYR A 20 5.569 -9.681 5.885 1.00 0.00 O ATOM 0 H TYR A 20 4.341 -12.378 -1.713 1.00 0.00 H new ATOM 0 HA TYR A 20 3.793 -10.267 0.290 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.780 -12.742 0.602 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.295 -11.953 0.209 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.998 -9.890 1.561 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.743 -12.432 2.739 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.122 -8.979 3.863 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.864 -11.519 5.043 1.00 0.00 H new ATOM 0 HH TYR A 20 4.884 -10.106 6.442 1.00 0.00 H new ATOM 258 N ARG A 21 5.361 -8.533 -0.577 1.00 0.00 N ATOM 259 CA ARG A 21 6.285 -7.493 -1.103 1.00 0.00 C ATOM 260 C ARG A 21 6.340 -6.331 -0.108 1.00 0.00 C ATOM 261 O ARG A 21 5.411 -5.554 -0.020 1.00 0.00 O ATOM 262 CB ARG A 21 5.772 -6.984 -2.452 1.00 0.00 C ATOM 263 CG ARG A 21 6.920 -6.988 -3.461 1.00 0.00 C ATOM 264 CD ARG A 21 6.546 -7.859 -4.661 1.00 0.00 C ATOM 265 NE ARG A 21 6.217 -9.235 -4.193 1.00 0.00 N ATOM 266 CZ ARG A 21 6.896 -10.258 -4.636 1.00 0.00 C ATOM 267 NH1 ARG A 21 6.610 -10.778 -5.798 1.00 0.00 N ATOM 268 NH2 ARG A 21 7.862 -10.762 -3.918 1.00 0.00 N ATOM 0 H ARG A 21 4.612 -8.182 0.021 1.00 0.00 H new ATOM 0 HA ARG A 21 7.280 -7.917 -1.235 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.958 -7.616 -2.807 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.370 -5.977 -2.345 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.132 -5.971 -3.790 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.828 -7.368 -2.992 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.693 -7.428 -5.185 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.372 -7.893 -5.371 1.00 0.00 H new ATOM 0 HE ARG A 21 5.460 -9.378 -3.525 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.855 -10.385 -6.361 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.141 -11.577 -6.144 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.087 -10.357 -3.010 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.392 -11.561 -4.265 1.00 0.00 H new ATOM 282 N PRO A 22 7.425 -6.249 0.622 1.00 0.00 N ATOM 283 CA PRO A 22 7.617 -5.192 1.628 1.00 0.00 C ATOM 284 C PRO A 22 8.007 -3.875 0.946 1.00 0.00 C ATOM 285 O PRO A 22 9.163 -3.624 0.669 1.00 0.00 O ATOM 286 CB PRO A 22 8.758 -5.729 2.495 1.00 0.00 C ATOM 287 CG PRO A 22 9.523 -6.757 1.625 1.00 0.00 C ATOM 288 CD PRO A 22 8.557 -7.194 0.511 1.00 0.00 C ATOM 0 HA PRO A 22 6.720 -4.975 2.208 1.00 0.00 H new ATOM 0 HB2 PRO A 22 9.418 -4.921 2.812 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.371 -6.198 3.400 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.425 -6.313 1.204 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.838 -7.612 2.223 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.029 -7.137 -0.470 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.230 -8.225 0.649 1.00 0.00 H new ATOM 296 N LEU A 23 7.044 -3.037 0.670 1.00 0.00 N ATOM 297 CA LEU A 23 7.342 -1.737 -0.001 1.00 0.00 C ATOM 298 C LEU A 23 7.427 -0.624 1.037 1.00 0.00 C ATOM 299 O LEU A 23 6.688 -0.606 1.990 1.00 0.00 O ATOM 300 CB LEU A 23 6.204 -1.389 -0.963 1.00 0.00 C ATOM 301 CG LEU A 23 5.643 -2.666 -1.585 1.00 0.00 C ATOM 302 CD1 LEU A 23 4.353 -2.339 -2.337 1.00 0.00 C ATOM 303 CD2 LEU A 23 6.667 -3.245 -2.561 1.00 0.00 C ATOM 0 H LEU A 23 6.059 -3.197 0.881 1.00 0.00 H new ATOM 0 HA LEU A 23 8.287 -1.830 -0.535 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.416 -0.856 -0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.568 -0.722 -1.745 1.00 0.00 H new ATOM 0 HG LEU A 23 5.433 -3.394 -0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.951 -3.249 -2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.623 -1.921 -1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.564 -1.614 -3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.270 -4.157 -3.007 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.873 -2.517 -3.346 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.589 -3.474 -2.027 1.00 0.00 H new ATOM 315 N CYS A 24 8.282 0.335 0.841 1.00 0.00 N ATOM 316 CA CYS A 24 8.352 1.457 1.814 1.00 0.00 C ATOM 317 C CYS A 24 7.328 2.496 1.371 1.00 0.00 C ATOM 318 O CYS A 24 7.580 3.295 0.497 1.00 0.00 O ATOM 319 CB CYS A 24 9.753 2.069 1.799 1.00 0.00 C ATOM 320 SG CYS A 24 9.835 3.402 3.020 1.00 0.00 S ATOM 0 H CYS A 24 8.931 0.392 0.056 1.00 0.00 H new ATOM 0 HA CYS A 24 8.143 1.110 2.826 1.00 0.00 H new ATOM 0 HB2 CYS A 24 10.498 1.306 2.025 1.00 0.00 H new ATOM 0 HB3 CYS A 24 9.983 2.455 0.806 1.00 0.00 H new ATOM 325 N GLY A 25 6.155 2.461 1.940 1.00 0.00 N ATOM 326 CA GLY A 25 5.093 3.412 1.517 1.00 0.00 C ATOM 327 C GLY A 25 5.270 4.762 2.193 1.00 0.00 C ATOM 328 O GLY A 25 5.696 4.853 3.338 1.00 0.00 O ATOM 0 H GLY A 25 5.887 1.813 2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 25 5.122 3.537 0.435 1.00 0.00 H new ATOM 0 HA3 GLY A 25 4.114 3.003 1.765 1.00 0.00 H new ATOM 332 N SER A 26 4.910 5.817 1.493 1.00 0.00 N ATOM 333 CA SER A 26 5.021 7.185 2.072 1.00 0.00 C ATOM 334 C SER A 26 4.234 7.266 3.385 1.00 0.00 C ATOM 335 O SER A 26 4.289 8.257 4.085 1.00 0.00 O ATOM 336 CB SER A 26 4.462 8.207 1.084 1.00 0.00 C ATOM 337 OG SER A 26 5.537 8.959 0.536 1.00 0.00 O ATOM 0 H SER A 26 4.543 5.781 0.542 1.00 0.00 H new ATOM 0 HA SER A 26 6.071 7.401 2.269 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.913 7.701 0.290 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.757 8.869 1.586 1.00 0.00 H new ATOM 0 HG SER A 26 5.409 9.056 -0.431 1.00 0.00 H new ATOM 343 N ASP A 27 3.509 6.237 3.735 1.00 0.00 N ATOM 344 CA ASP A 27 2.740 6.274 5.002 1.00 0.00 C ATOM 345 C ASP A 27 3.689 6.040 6.185 1.00 0.00 C ATOM 346 O ASP A 27 3.261 5.918 7.314 1.00 0.00 O ATOM 347 CB ASP A 27 1.672 5.180 4.969 1.00 0.00 C ATOM 348 CG ASP A 27 2.334 3.817 5.164 1.00 0.00 C ATOM 349 OD1 ASP A 27 3.098 3.422 4.298 1.00 0.00 O ATOM 350 OD2 ASP A 27 2.066 3.189 6.175 1.00 0.00 O ATOM 0 H ASP A 27 3.419 5.376 3.196 1.00 0.00 H new ATOM 0 HA ASP A 27 2.262 7.247 5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.934 5.353 5.752 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.140 5.205 4.018 1.00 0.00 H new ATOM 355 N ASN A 28 4.977 5.997 5.933 1.00 0.00 N ATOM 356 CA ASN A 28 5.961 5.805 7.040 1.00 0.00 C ATOM 357 C ASN A 28 6.058 4.332 7.439 1.00 0.00 C ATOM 358 O ASN A 28 6.499 4.018 8.526 1.00 0.00 O ATOM 359 CB ASN A 28 5.517 6.621 8.258 1.00 0.00 C ATOM 360 CG ASN A 28 6.742 7.216 8.960 1.00 0.00 C ATOM 361 OD1 ASN A 28 7.903 6.631 8.839 1.00 0.00 O flip ATOM 362 ND2 ASN A 28 6.640 8.224 9.631 1.00 0.00 N flip ATOM 0 H ASN A 28 5.387 6.087 5.004 1.00 0.00 H new ATOM 0 HA ASN A 28 6.939 6.139 6.692 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.842 7.418 7.946 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.963 5.987 8.950 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.734 8.683 9.727 1.00 0.00 H new ATOM 0 HD22 ASN A 28 7.460 8.611 10.098 1.00 0.00 H new ATOM 369 N LYS A 29 5.669 3.418 6.593 1.00 0.00 N ATOM 370 CA LYS A 29 5.782 1.985 6.998 1.00 0.00 C ATOM 371 C LYS A 29 5.927 1.111 5.768 1.00 0.00 C ATOM 372 O LYS A 29 5.838 1.577 4.655 1.00 0.00 O ATOM 373 CB LYS A 29 4.545 1.560 7.787 1.00 0.00 C ATOM 374 CG LYS A 29 4.845 1.658 9.286 1.00 0.00 C ATOM 375 CD LYS A 29 5.145 0.264 9.841 1.00 0.00 C ATOM 376 CE LYS A 29 6.208 0.363 10.943 1.00 0.00 C ATOM 377 NZ LYS A 29 7.435 -0.383 10.532 1.00 0.00 N ATOM 0 H LYS A 29 5.288 3.591 5.663 1.00 0.00 H new ATOM 0 HA LYS A 29 6.663 1.868 7.629 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.699 2.198 7.531 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.265 0.539 7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.696 2.318 9.455 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.994 2.094 9.810 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.234 -0.183 10.240 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.496 -0.388 9.041 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.453 1.408 11.132 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.818 -0.046 11.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.152 -0.313 11.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.197 -1.383 10.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.812 0.026 9.653 1.00 0.00 H new ATOM 391 N THR A 30 6.140 -0.158 5.957 1.00 0.00 N ATOM 392 CA THR A 30 6.280 -1.053 4.784 1.00 0.00 C ATOM 393 C THR A 30 4.894 -1.579 4.386 1.00 0.00 C ATOM 394 O THR A 30 3.947 -1.489 5.142 1.00 0.00 O ATOM 395 CB THR A 30 7.222 -2.211 5.119 1.00 0.00 C ATOM 396 OG1 THR A 30 8.481 -1.684 5.531 1.00 0.00 O ATOM 397 CG2 THR A 30 7.411 -3.083 3.876 1.00 0.00 C ATOM 0 H THR A 30 6.223 -0.610 6.867 1.00 0.00 H new ATOM 0 HA THR A 30 6.706 -0.500 3.946 1.00 0.00 H new ATOM 0 HB THR A 30 6.799 -2.814 5.923 1.00 0.00 H new ATOM 0 HG1 THR A 30 8.675 -1.978 6.446 1.00 0.00 H new ATOM 0 HG21 THR A 30 8.082 -3.910 4.110 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.446 -3.478 3.558 1.00 0.00 H new ATOM 0 HG23 THR A 30 7.840 -2.484 3.073 1.00 0.00 H new ATOM 405 N TYR A 31 4.762 -2.107 3.200 1.00 0.00 N ATOM 406 CA TYR A 31 3.436 -2.612 2.748 1.00 0.00 C ATOM 407 C TYR A 31 3.516 -4.119 2.498 1.00 0.00 C ATOM 408 O TYR A 31 4.571 -4.661 2.239 1.00 0.00 O ATOM 409 CB TYR A 31 3.057 -1.901 1.446 1.00 0.00 C ATOM 410 CG TYR A 31 2.246 -0.662 1.758 1.00 0.00 C ATOM 411 CD1 TYR A 31 1.043 -0.773 2.467 1.00 0.00 C ATOM 412 CD2 TYR A 31 2.700 0.597 1.341 1.00 0.00 C ATOM 413 CE1 TYR A 31 0.294 0.376 2.758 1.00 0.00 C ATOM 414 CE2 TYR A 31 1.951 1.743 1.633 1.00 0.00 C ATOM 415 CZ TYR A 31 0.748 1.633 2.340 1.00 0.00 C ATOM 416 OH TYR A 31 0.010 2.763 2.627 1.00 0.00 O ATOM 0 H TYR A 31 5.518 -2.210 2.523 1.00 0.00 H new ATOM 0 HA TYR A 31 2.686 -2.416 3.514 1.00 0.00 H new ATOM 0 HB2 TYR A 31 3.957 -1.629 0.894 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.482 -2.572 0.808 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.693 -1.743 2.789 1.00 0.00 H new ATOM 0 HD2 TYR A 31 3.628 0.683 0.794 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.634 0.292 3.305 1.00 0.00 H new ATOM 0 HE2 TYR A 31 2.302 2.713 1.312 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.634 2.561 3.337 1.00 0.00 H new ATOM 426 N GLY A 32 2.406 -4.802 2.568 1.00 0.00 N ATOM 427 CA GLY A 32 2.422 -6.272 2.328 1.00 0.00 C ATOM 428 C GLY A 32 2.355 -6.543 0.824 1.00 0.00 C ATOM 429 O GLY A 32 2.681 -7.619 0.363 1.00 0.00 O ATOM 0 H GLY A 32 1.490 -4.406 2.781 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.328 -6.710 2.747 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.578 -6.743 2.831 1.00 0.00 H new ATOM 433 N ASN A 33 1.934 -5.578 0.050 1.00 0.00 N ATOM 434 CA ASN A 33 1.853 -5.784 -1.424 1.00 0.00 C ATOM 435 C ASN A 33 1.126 -4.601 -2.069 1.00 0.00 C ATOM 436 O ASN A 33 0.528 -3.785 -1.398 1.00 0.00 O ATOM 437 CB ASN A 33 1.098 -7.083 -1.724 1.00 0.00 C ATOM 438 CG ASN A 33 -0.133 -7.187 -0.824 1.00 0.00 C ATOM 439 OD1 ASN A 33 -1.036 -6.382 -0.919 1.00 0.00 O ATOM 440 ND2 ASN A 33 -0.209 -8.156 0.048 1.00 0.00 N ATOM 0 H ASN A 33 1.643 -4.656 0.376 1.00 0.00 H new ATOM 0 HA ASN A 33 2.860 -5.854 -1.834 1.00 0.00 H new ATOM 0 HB2 ASN A 33 0.797 -7.106 -2.771 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.752 -7.940 -1.562 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -1.028 -8.237 0.650 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.551 -8.832 0.127 1.00 0.00 H new ATOM 447 N LYS A 34 1.182 -4.501 -3.369 1.00 0.00 N ATOM 448 CA LYS A 34 0.502 -3.374 -4.067 1.00 0.00 C ATOM 449 C LYS A 34 -0.999 -3.433 -3.791 1.00 0.00 C ATOM 450 O LYS A 34 -1.708 -2.459 -3.947 1.00 0.00 O ATOM 451 CB LYS A 34 0.745 -3.483 -5.575 1.00 0.00 C ATOM 452 CG LYS A 34 0.130 -4.783 -6.103 1.00 0.00 C ATOM 453 CD LYS A 34 -1.231 -4.485 -6.735 1.00 0.00 C ATOM 454 CE LYS A 34 -1.102 -4.493 -8.260 1.00 0.00 C ATOM 455 NZ LYS A 34 -2.020 -3.473 -8.841 1.00 0.00 N ATOM 0 H LYS A 34 1.672 -5.155 -3.980 1.00 0.00 H new ATOM 0 HA LYS A 34 0.903 -2.429 -3.701 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.306 -2.627 -6.087 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.815 -3.464 -5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.793 -5.238 -6.839 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.016 -5.500 -5.290 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.961 -5.229 -6.418 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.596 -3.516 -6.396 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -0.073 -4.279 -8.550 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.345 -5.481 -8.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -1.933 -3.478 -9.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.000 -3.696 -8.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.768 -2.532 -8.477 1.00 0.00 H new ATOM 469 N CYS A 35 -1.489 -4.564 -3.369 1.00 0.00 N ATOM 470 CA CYS A 35 -2.942 -4.667 -3.073 1.00 0.00 C ATOM 471 C CYS A 35 -3.226 -3.890 -1.787 1.00 0.00 C ATOM 472 O CYS A 35 -4.270 -3.289 -1.624 1.00 0.00 O ATOM 473 CB CYS A 35 -3.321 -6.140 -2.899 1.00 0.00 C ATOM 474 SG CYS A 35 -5.093 -6.276 -2.560 1.00 0.00 S ATOM 0 H CYS A 35 -0.949 -5.416 -3.217 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.531 -4.251 -3.890 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.069 -6.699 -3.800 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.749 -6.579 -2.081 1.00 0.00 H new ATOM 479 N ASN A 36 -2.285 -3.881 -0.886 1.00 0.00 N ATOM 480 CA ASN A 36 -2.463 -3.131 0.381 1.00 0.00 C ATOM 481 C ASN A 36 -2.111 -1.667 0.126 1.00 0.00 C ATOM 482 O ASN A 36 -2.480 -0.782 0.873 1.00 0.00 O ATOM 483 CB ASN A 36 -1.520 -3.707 1.438 1.00 0.00 C ATOM 484 CG ASN A 36 -2.300 -3.997 2.721 1.00 0.00 C ATOM 485 OD1 ASN A 36 -1.920 -3.560 3.789 1.00 0.00 O ATOM 486 ND2 ASN A 36 -3.383 -4.721 2.659 1.00 0.00 N ATOM 0 H ASN A 36 -1.393 -4.367 -0.977 1.00 0.00 H new ATOM 0 HA ASN A 36 -3.492 -3.212 0.732 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.058 -4.622 1.067 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -0.714 -3.003 1.642 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.912 -4.921 3.508 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.701 -5.087 1.762 1.00 0.00 H new ATOM 493 N PHE A 37 -1.392 -1.412 -0.932 1.00 0.00 N ATOM 494 CA PHE A 37 -1.000 -0.018 -1.261 1.00 0.00 C ATOM 495 C PHE A 37 -2.195 0.710 -1.877 1.00 0.00 C ATOM 496 O PHE A 37 -2.463 1.855 -1.571 1.00 0.00 O ATOM 497 CB PHE A 37 0.164 -0.054 -2.256 1.00 0.00 C ATOM 498 CG PHE A 37 0.635 1.351 -2.548 1.00 0.00 C ATOM 499 CD1 PHE A 37 -0.115 2.185 -3.390 1.00 0.00 C ATOM 500 CD2 PHE A 37 1.825 1.818 -1.981 1.00 0.00 C ATOM 501 CE1 PHE A 37 0.327 3.485 -3.661 1.00 0.00 C ATOM 502 CE2 PHE A 37 2.268 3.118 -2.252 1.00 0.00 C ATOM 503 CZ PHE A 37 1.519 3.952 -3.092 1.00 0.00 C ATOM 0 H PHE A 37 -1.057 -2.119 -1.587 1.00 0.00 H new ATOM 0 HA PHE A 37 -0.690 0.510 -0.359 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.984 -0.644 -1.848 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.150 -0.541 -3.179 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -1.033 1.824 -3.829 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.403 1.175 -1.333 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.251 4.128 -4.309 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.187 3.478 -1.814 1.00 0.00 H new ATOM 0 HZ PHE A 37 1.860 4.955 -3.301 1.00 0.00 H new ATOM 513 N CYS A 38 -2.920 0.051 -2.738 1.00 0.00 N ATOM 514 CA CYS A 38 -4.103 0.700 -3.365 1.00 0.00 C ATOM 515 C CYS A 38 -5.262 0.687 -2.369 1.00 0.00 C ATOM 516 O CYS A 38 -6.207 1.442 -2.487 1.00 0.00 O ATOM 517 CB CYS A 38 -4.501 -0.068 -4.628 1.00 0.00 C ATOM 518 SG CYS A 38 -3.312 0.284 -5.946 1.00 0.00 S ATOM 0 H CYS A 38 -2.744 -0.909 -3.034 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.860 1.728 -3.634 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -4.527 -1.138 -4.423 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.504 0.221 -4.942 1.00 0.00 H new ATOM 523 N CYS A 39 -5.195 -0.165 -1.381 1.00 0.00 N ATOM 524 CA CYS A 39 -6.294 -0.221 -0.377 1.00 0.00 C ATOM 525 C CYS A 39 -6.088 0.884 0.658 1.00 0.00 C ATOM 526 O CYS A 39 -7.008 1.586 1.025 1.00 0.00 O ATOM 527 CB CYS A 39 -6.290 -1.581 0.319 1.00 0.00 C ATOM 528 SG CYS A 39 -7.836 -1.781 1.238 1.00 0.00 S ATOM 0 H CYS A 39 -4.430 -0.822 -1.227 1.00 0.00 H new ATOM 0 HA CYS A 39 -7.251 -0.079 -0.879 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -6.184 -2.379 -0.416 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.438 -1.655 0.995 1.00 0.00 H new ATOM 533 N ALA A 40 -4.882 1.051 1.121 1.00 0.00 N ATOM 534 CA ALA A 40 -4.614 2.120 2.120 1.00 0.00 C ATOM 535 C ALA A 40 -4.851 3.473 1.453 1.00 0.00 C ATOM 536 O ALA A 40 -5.200 4.446 2.093 1.00 0.00 O ATOM 537 CB ALA A 40 -3.164 2.027 2.600 1.00 0.00 C ATOM 0 H ALA A 40 -4.071 0.494 0.851 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.275 2.005 2.979 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.972 2.812 3.332 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.995 1.053 3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.491 2.150 1.751 1.00 0.00 H new ATOM 543 N VAL A 41 -4.671 3.534 0.161 1.00 0.00 N ATOM 544 CA VAL A 41 -4.894 4.814 -0.563 1.00 0.00 C ATOM 545 C VAL A 41 -6.397 5.096 -0.628 1.00 0.00 C ATOM 546 O VAL A 41 -6.831 6.230 -0.583 1.00 0.00 O ATOM 547 CB VAL A 41 -4.326 4.697 -1.980 1.00 0.00 C ATOM 548 CG1 VAL A 41 -4.869 5.832 -2.853 1.00 0.00 C ATOM 549 CG2 VAL A 41 -2.800 4.789 -1.920 1.00 0.00 C ATOM 0 H VAL A 41 -4.379 2.751 -0.423 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.394 5.630 -0.041 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.622 3.740 -2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.461 5.743 -3.860 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.956 5.770 -2.895 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.576 6.791 -2.426 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.391 4.706 -2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.510 5.747 -1.488 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.411 3.980 -1.302 1.00 0.00 H new ATOM 559 N VAL A 42 -7.194 4.068 -0.726 1.00 0.00 N ATOM 560 CA VAL A 42 -8.669 4.269 -0.784 1.00 0.00 C ATOM 561 C VAL A 42 -9.155 4.829 0.559 1.00 0.00 C ATOM 562 O VAL A 42 -10.144 5.533 0.626 1.00 0.00 O ATOM 563 CB VAL A 42 -9.352 2.924 -1.079 1.00 0.00 C ATOM 564 CG1 VAL A 42 -10.799 2.937 -0.574 1.00 0.00 C ATOM 565 CG2 VAL A 42 -9.353 2.680 -2.589 1.00 0.00 C ATOM 0 H VAL A 42 -6.887 3.096 -0.768 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.920 4.975 -1.575 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.804 2.131 -0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.269 1.977 -0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.807 3.110 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -11.352 3.732 -1.074 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.837 1.727 -2.803 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.897 3.483 -3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.326 2.656 -2.954 1.00 0.00 H new ATOM 575 N GLU A 43 -8.470 4.525 1.630 1.00 0.00 N ATOM 576 CA GLU A 43 -8.903 5.047 2.960 1.00 0.00 C ATOM 577 C GLU A 43 -8.072 6.281 3.322 1.00 0.00 C ATOM 578 O GLU A 43 -8.363 6.980 4.272 1.00 0.00 O ATOM 579 CB GLU A 43 -8.705 3.967 4.025 1.00 0.00 C ATOM 580 CG GLU A 43 -7.211 3.780 4.295 1.00 0.00 C ATOM 581 CD GLU A 43 -6.914 4.077 5.766 1.00 0.00 C ATOM 582 OE1 GLU A 43 -7.827 3.970 6.568 1.00 0.00 O ATOM 583 OE2 GLU A 43 -5.779 4.409 6.065 1.00 0.00 O ATOM 0 H GLU A 43 -7.634 3.941 1.642 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.957 5.321 2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -9.218 4.250 4.944 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.145 3.027 3.691 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.912 2.760 4.052 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.630 4.444 3.655 1.00 0.00 H new ATOM 590 N SER A 44 -7.038 6.554 2.573 1.00 0.00 N ATOM 591 CA SER A 44 -6.192 7.743 2.877 1.00 0.00 C ATOM 592 C SER A 44 -6.714 8.954 2.100 1.00 0.00 C ATOM 593 O SER A 44 -6.279 10.070 2.305 1.00 0.00 O ATOM 594 CB SER A 44 -4.747 7.461 2.465 1.00 0.00 C ATOM 595 OG SER A 44 -4.035 6.936 3.577 1.00 0.00 O ATOM 0 H SER A 44 -6.743 6.006 1.765 1.00 0.00 H new ATOM 0 HA SER A 44 -6.232 7.951 3.946 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.725 6.752 1.637 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.272 8.377 2.114 1.00 0.00 H new ATOM 0 HG SER A 44 -3.385 7.598 3.891 1.00 0.00 H new ATOM 601 N ASN A 45 -7.642 8.742 1.207 1.00 0.00 N ATOM 602 CA ASN A 45 -8.190 9.880 0.415 1.00 0.00 C ATOM 603 C ASN A 45 -7.174 10.292 -0.650 1.00 0.00 C ATOM 604 O ASN A 45 -7.143 11.426 -1.087 1.00 0.00 O ATOM 605 CB ASN A 45 -8.466 11.065 1.343 1.00 0.00 C ATOM 606 CG ASN A 45 -9.571 11.938 0.744 1.00 0.00 C ATOM 607 OD1 ASN A 45 -9.787 11.904 -0.543 1.00 0.00 O flip ATOM 608 ND2 ASN A 45 -10.243 12.660 1.453 1.00 0.00 N flip ATOM 0 H ASN A 45 -8.044 7.830 0.992 1.00 0.00 H new ATOM 0 HA ASN A 45 -9.119 9.574 -0.066 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.765 10.707 2.328 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.558 11.652 1.480 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.075 12.687 2.459 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -10.976 13.239 1.043 1.00 0.00 H new ATOM 615 N GLY A 46 -6.341 9.382 -1.071 1.00 0.00 N ATOM 616 CA GLY A 46 -5.326 9.724 -2.106 1.00 0.00 C ATOM 617 C GLY A 46 -4.176 10.495 -1.458 1.00 0.00 C ATOM 618 O GLY A 46 -3.388 11.132 -2.127 1.00 0.00 O ATOM 0 H GLY A 46 -6.319 8.416 -0.743 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.949 8.815 -2.575 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.782 10.324 -2.893 1.00 0.00 H new ATOM 622 N THR A 47 -4.073 10.443 -0.158 1.00 0.00 N ATOM 623 CA THR A 47 -2.972 11.175 0.530 1.00 0.00 C ATOM 624 C THR A 47 -1.881 10.184 0.936 1.00 0.00 C ATOM 625 O THR A 47 -1.043 10.473 1.768 1.00 0.00 O ATOM 626 CB THR A 47 -3.524 11.877 1.772 1.00 0.00 C ATOM 627 OG1 THR A 47 -3.878 10.906 2.747 1.00 0.00 O ATOM 628 CG2 THR A 47 -4.760 12.691 1.385 1.00 0.00 C ATOM 0 H THR A 47 -4.702 9.926 0.456 1.00 0.00 H new ATOM 0 HA THR A 47 -2.549 11.920 -0.144 1.00 0.00 H new ATOM 0 HB THR A 47 -2.765 12.542 2.185 1.00 0.00 H new ATOM 0 HG1 THR A 47 -4.854 10.848 2.811 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.156 13.193 2.268 1.00 0.00 H new ATOM 0 HG22 THR A 47 -4.486 13.435 0.637 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.520 12.026 0.974 1.00 0.00 H new ATOM 636 N LEU A 48 -1.882 9.020 0.349 1.00 0.00 N ATOM 637 CA LEU A 48 -0.846 8.008 0.690 1.00 0.00 C ATOM 638 C LEU A 48 -0.107 7.612 -0.587 1.00 0.00 C ATOM 639 O LEU A 48 -0.654 7.675 -1.670 1.00 0.00 O ATOM 640 CB LEU A 48 -1.515 6.778 1.306 1.00 0.00 C ATOM 641 CG LEU A 48 -0.532 6.065 2.236 1.00 0.00 C ATOM 642 CD1 LEU A 48 0.056 7.062 3.236 1.00 0.00 C ATOM 643 CD2 LEU A 48 -1.267 4.962 2.997 1.00 0.00 C ATOM 0 H LEU A 48 -2.559 8.726 -0.355 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.140 8.424 1.409 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.404 7.076 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.843 6.099 0.519 1.00 0.00 H new ATOM 0 HG LEU A 48 0.274 5.633 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.755 6.547 3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.580 7.852 2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.747 7.499 3.829 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.570 4.451 3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.073 5.401 3.585 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.683 4.246 2.288 1.00 0.00 H new ATOM 655 N THR A 49 1.137 7.225 -0.483 1.00 0.00 N ATOM 656 CA THR A 49 1.883 6.856 -1.718 1.00 0.00 C ATOM 657 C THR A 49 2.963 5.807 -1.427 1.00 0.00 C ATOM 658 O THR A 49 2.885 5.044 -0.485 1.00 0.00 O ATOM 659 CB THR A 49 2.542 8.112 -2.301 1.00 0.00 C ATOM 660 OG1 THR A 49 3.830 8.278 -1.727 1.00 0.00 O ATOM 661 CG2 THR A 49 1.684 9.340 -1.994 1.00 0.00 C ATOM 0 H THR A 49 1.661 7.150 0.389 1.00 0.00 H new ATOM 0 HA THR A 49 1.177 6.429 -2.430 1.00 0.00 H new ATOM 0 HB THR A 49 2.634 8.001 -3.381 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.253 9.079 -2.100 1.00 0.00 H new ATOM 0 HG21 THR A 49 2.158 10.229 -2.411 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.696 9.214 -2.437 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.585 9.454 -0.915 1.00 0.00 H new ATOM 669 N LEU A 50 3.964 5.784 -2.266 1.00 0.00 N ATOM 670 CA LEU A 50 5.097 4.818 -2.142 1.00 0.00 C ATOM 671 C LEU A 50 6.359 5.595 -1.750 1.00 0.00 C ATOM 672 O LEU A 50 6.373 6.810 -1.755 1.00 0.00 O ATOM 673 CB LEU A 50 5.305 4.157 -3.513 1.00 0.00 C ATOM 674 CG LEU A 50 6.278 2.982 -3.404 1.00 0.00 C ATOM 675 CD1 LEU A 50 5.745 1.967 -2.392 1.00 0.00 C ATOM 676 CD2 LEU A 50 6.410 2.309 -4.772 1.00 0.00 C ATOM 0 H LEU A 50 4.046 6.418 -3.061 1.00 0.00 H new ATOM 0 HA LEU A 50 4.887 4.060 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.349 3.809 -3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.690 4.890 -4.221 1.00 0.00 H new ATOM 0 HG LEU A 50 7.252 3.345 -3.075 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.439 1.130 -2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.643 2.444 -1.417 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.772 1.602 -2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.103 1.471 -4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.434 1.947 -5.095 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.787 3.030 -5.497 1.00 0.00 H new ATOM 688 N SER A 51 7.418 4.912 -1.414 1.00 0.00 N ATOM 689 CA SER A 51 8.671 5.625 -1.030 1.00 0.00 C ATOM 690 C SER A 51 9.874 4.915 -1.656 1.00 0.00 C ATOM 691 O SER A 51 10.720 5.536 -2.268 1.00 0.00 O ATOM 692 CB SER A 51 8.809 5.633 0.494 1.00 0.00 C ATOM 693 OG SER A 51 7.518 5.544 1.083 1.00 0.00 O ATOM 0 H SER A 51 7.471 3.894 -1.388 1.00 0.00 H new ATOM 0 HA SER A 51 8.631 6.653 -1.392 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.428 4.797 0.819 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.308 6.545 0.821 1.00 0.00 H new ATOM 0 HG SER A 51 7.040 4.775 0.708 1.00 0.00 H new ATOM 699 N HIS A 52 9.953 3.619 -1.517 1.00 0.00 N ATOM 700 CA HIS A 52 11.096 2.871 -2.110 1.00 0.00 C ATOM 701 C HIS A 52 10.962 1.382 -1.763 1.00 0.00 C ATOM 702 O HIS A 52 11.154 0.970 -0.636 1.00 0.00 O ATOM 703 CB HIS A 52 12.423 3.434 -1.577 1.00 0.00 C ATOM 704 CG HIS A 52 12.683 2.938 -0.181 1.00 0.00 C ATOM 705 ND1 HIS A 52 13.332 1.739 0.066 1.00 0.00 N ATOM 706 CD2 HIS A 52 12.398 3.472 1.051 1.00 0.00 C ATOM 707 CE1 HIS A 52 13.413 1.589 1.400 1.00 0.00 C ATOM 708 NE2 HIS A 52 12.859 2.617 2.049 1.00 0.00 N ATOM 0 H HIS A 52 9.273 3.046 -1.017 1.00 0.00 H new ATOM 0 HA HIS A 52 11.086 2.984 -3.194 1.00 0.00 H new ATOM 0 HB2 HIS A 52 13.241 3.136 -2.233 1.00 0.00 H new ATOM 0 HB3 HIS A 52 12.391 4.524 -1.582 1.00 0.00 H new ATOM 0 HD1 HIS A 52 13.684 1.088 -0.636 1.00 0.00 H new ATOM 0 HD2 HIS A 52 11.893 4.412 1.221 1.00 0.00 H new ATOM 0 HE1 HIS A 52 13.870 0.741 1.887 1.00 0.00 H new ATOM 716 N PHE A 53 10.621 0.580 -2.733 1.00 0.00 N ATOM 717 CA PHE A 53 10.460 -0.884 -2.493 1.00 0.00 C ATOM 718 C PHE A 53 11.547 -1.375 -1.532 1.00 0.00 C ATOM 719 O PHE A 53 12.726 -1.276 -1.807 1.00 0.00 O ATOM 720 CB PHE A 53 10.587 -1.626 -3.825 1.00 0.00 C ATOM 721 CG PHE A 53 9.216 -1.977 -4.347 1.00 0.00 C ATOM 722 CD1 PHE A 53 8.245 -0.980 -4.491 1.00 0.00 C ATOM 723 CD2 PHE A 53 8.917 -3.301 -4.692 1.00 0.00 C ATOM 724 CE1 PHE A 53 6.974 -1.306 -4.980 1.00 0.00 C ATOM 725 CE2 PHE A 53 7.647 -3.627 -5.182 1.00 0.00 C ATOM 726 CZ PHE A 53 6.677 -2.628 -5.326 1.00 0.00 C ATOM 0 H PHE A 53 10.445 0.878 -3.692 1.00 0.00 H new ATOM 0 HA PHE A 53 9.481 -1.075 -2.054 1.00 0.00 H new ATOM 0 HB2 PHE A 53 11.114 -1.005 -4.549 1.00 0.00 H new ATOM 0 HB3 PHE A 53 11.179 -2.532 -3.692 1.00 0.00 H new ATOM 0 HD1 PHE A 53 8.476 0.041 -4.225 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.666 -4.071 -4.580 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.224 -0.537 -5.090 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.416 -4.648 -5.449 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.697 -2.879 -5.705 1.00 0.00 H new ATOM 736 N GLY A 54 11.155 -1.902 -0.405 1.00 0.00 N ATOM 737 CA GLY A 54 12.154 -2.402 0.583 1.00 0.00 C ATOM 738 C GLY A 54 11.828 -1.827 1.962 1.00 0.00 C ATOM 739 O GLY A 54 11.337 -0.722 2.080 1.00 0.00 O ATOM 0 H GLY A 54 10.180 -2.009 -0.124 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.136 -3.491 0.617 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.160 -2.109 0.282 1.00 0.00 H new ATOM 743 N LYS A 55 12.093 -2.568 3.008 1.00 0.00 N ATOM 744 CA LYS A 55 11.793 -2.058 4.378 1.00 0.00 C ATOM 745 C LYS A 55 12.220 -0.597 4.478 1.00 0.00 C ATOM 746 O LYS A 55 13.336 -0.242 4.153 1.00 0.00 O ATOM 747 CB LYS A 55 12.561 -2.880 5.417 1.00 0.00 C ATOM 748 CG LYS A 55 12.081 -2.507 6.825 1.00 0.00 C ATOM 749 CD LYS A 55 11.158 -3.605 7.361 1.00 0.00 C ATOM 750 CE LYS A 55 11.692 -4.126 8.699 1.00 0.00 C ATOM 751 NZ LYS A 55 11.283 -5.549 8.877 1.00 0.00 N ATOM 0 H LYS A 55 12.503 -3.501 2.972 1.00 0.00 H new ATOM 0 HA LYS A 55 10.723 -2.144 4.567 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.407 -3.944 5.239 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.631 -2.693 5.325 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.936 -2.380 7.490 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.552 -1.554 6.799 1.00 0.00 H new ATOM 0 HD2 LYS A 55 10.149 -3.214 7.490 1.00 0.00 H new ATOM 0 HD3 LYS A 55 11.094 -4.422 6.642 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.778 -4.043 8.727 1.00 0.00 H new ATOM 0 HE3 LYS A 55 11.305 -3.520 9.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 11.645 -5.903 9.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 10.245 -5.616 8.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 11.673 -6.122 8.102 1.00 0.00 H new ATOM 765 N CYS A 56 11.344 0.259 4.921 1.00 0.00 N ATOM 766 CA CYS A 56 11.721 1.694 5.030 1.00 0.00 C ATOM 767 C CYS A 56 13.042 1.808 5.792 1.00 0.00 C ATOM 768 O CYS A 56 13.111 1.296 6.898 1.00 0.00 O ATOM 769 CB CYS A 56 10.626 2.461 5.774 1.00 0.00 C ATOM 770 SG CYS A 56 9.156 2.559 4.725 1.00 0.00 S ATOM 771 OXT CYS A 56 13.965 2.396 5.253 1.00 0.00 O ATOM 0 H CYS A 56 10.393 0.031 5.210 1.00 0.00 H new ATOM 0 HA CYS A 56 11.836 2.119 4.033 1.00 0.00 H new ATOM 0 HB2 CYS A 56 10.386 1.959 6.712 1.00 0.00 H new ATOM 0 HB3 CYS A 56 10.974 3.462 6.028 1.00 0.00 H new TER 776 CYS A 56