USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 410 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 Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -82:sc= 1.26 USER MOD Single : A 13 LYS NZ :NH3+ -159:sc= -0.0427 (180deg=-0.293) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= -0.412 USER MOD Single : A 22 ASN : amide:sc= -0.551 K(o=-0.55,f=-2) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc=-0.00809 X(o=-0.0081,f=-0.0081) USER MOD Single : A 30 THR OG1 : rot 34:sc= 0.0887 USER MOD Single : A 33 TYR OH : rot 180:sc=-0.00807 USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0354) USER MOD Single : A 41 ASN :FLIP amide:sc= -4.93 F(o=-13!,f=-4.9) USER MOD Single : A 42 ASN :FLIP amide:sc= -2.4 F(o=-3.4,f=-2.4) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 75:sc= 0.623 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -6.703 16.785 3.578 1.00 0.00 N ATOM 2 CA ASP A 1 -7.402 15.636 2.945 1.00 0.00 C ATOM 3 C ASP A 1 -6.394 14.672 2.317 1.00 0.00 C ATOM 4 O ASP A 1 -5.515 15.090 1.558 1.00 0.00 O ATOM 5 CB ASP A 1 -8.371 16.188 1.881 1.00 0.00 C ATOM 6 CG ASP A 1 -9.385 15.165 1.368 1.00 0.00 C ATOM 7 OD1 ASP A 1 -9.359 14.000 1.826 1.00 0.00 O ATOM 8 OD2 ASP A 1 -10.207 15.537 0.504 1.00 0.00 O ATOM 0 H1 ASP A 1 -7.403 17.428 3.999 1.00 0.00 H new ATOM 0 H2 ASP A 1 -6.063 16.436 4.320 1.00 0.00 H new ATOM 0 H3 ASP A 1 -6.152 17.296 2.858 1.00 0.00 H new ATOM 0 HA ASP A 1 -7.960 15.078 3.697 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -8.909 17.038 2.301 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -7.792 16.563 1.038 1.00 0.00 H new ATOM 15 N PHE A 2 -6.536 13.384 2.646 1.00 0.00 N ATOM 16 CA PHE A 2 -5.649 12.341 2.125 1.00 0.00 C ATOM 17 C PHE A 2 -6.456 11.182 1.513 1.00 0.00 C ATOM 18 O PHE A 2 -7.683 11.260 1.410 1.00 0.00 O ATOM 19 CB PHE A 2 -4.689 11.841 3.244 1.00 0.00 C ATOM 20 CG PHE A 2 -5.355 11.283 4.491 1.00 0.00 C ATOM 21 CD1 PHE A 2 -6.076 10.093 4.454 1.00 0.00 C ATOM 22 CD2 PHE A 2 -5.253 11.955 5.698 1.00 0.00 C ATOM 23 CE1 PHE A 2 -6.678 9.591 5.589 1.00 0.00 C ATOM 24 CE2 PHE A 2 -5.854 11.455 6.840 1.00 0.00 C ATOM 25 CZ PHE A 2 -6.569 10.271 6.784 1.00 0.00 C ATOM 0 H PHE A 2 -7.261 13.038 3.274 1.00 0.00 H new ATOM 0 HA PHE A 2 -5.043 12.769 1.326 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -4.044 11.069 2.824 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -4.045 12.669 3.540 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -6.165 9.554 3.522 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -4.698 12.880 5.748 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.234 8.666 5.542 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -5.765 11.989 7.775 1.00 0.00 H new ATOM 0 HZ PHE A 2 -7.040 9.881 7.674 1.00 0.00 H new ATOM 35 N CYS A 3 -5.742 10.097 1.129 1.00 0.00 N ATOM 36 CA CYS A 3 -6.325 8.869 0.538 1.00 0.00 C ATOM 37 C CYS A 3 -6.851 9.087 -0.890 1.00 0.00 C ATOM 38 O CYS A 3 -6.547 8.292 -1.785 1.00 0.00 O ATOM 39 CB CYS A 3 -7.421 8.268 1.436 1.00 0.00 C ATOM 40 SG CYS A 3 -7.973 6.609 0.929 1.00 0.00 S ATOM 0 H CYS A 3 -4.727 10.050 1.223 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.507 8.152 0.472 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.050 8.218 2.460 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -8.280 8.939 1.441 1.00 0.00 H new ATOM 45 N LEU A 4 -7.629 10.162 -1.100 1.00 0.00 N ATOM 46 CA LEU A 4 -8.185 10.479 -2.425 1.00 0.00 C ATOM 47 C LEU A 4 -7.168 11.211 -3.319 1.00 0.00 C ATOM 48 O LEU A 4 -7.424 11.437 -4.507 1.00 0.00 O ATOM 49 CB LEU A 4 -9.495 11.292 -2.288 1.00 0.00 C ATOM 50 CG LEU A 4 -9.467 12.554 -1.395 1.00 0.00 C ATOM 51 CD1 LEU A 4 -8.827 13.742 -2.107 1.00 0.00 C ATOM 52 CD2 LEU A 4 -10.880 12.907 -0.957 1.00 0.00 C ATOM 0 H LEU A 4 -7.887 10.825 -0.369 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.416 9.534 -2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -9.808 11.595 -3.287 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.265 10.625 -1.902 1.00 0.00 H new ATOM 0 HG LEU A 4 -8.857 12.329 -0.520 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -8.828 14.607 -1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -7.801 13.494 -2.378 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -9.394 13.975 -3.008 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.854 13.797 -0.328 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.495 13.101 -1.835 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -11.304 12.076 -0.393 1.00 0.00 H new ATOM 64 N GLU A 5 -6.014 11.561 -2.733 1.00 0.00 N ATOM 65 CA GLU A 5 -4.936 12.255 -3.449 1.00 0.00 C ATOM 66 C GLU A 5 -4.002 11.239 -4.139 1.00 0.00 C ATOM 67 O GLU A 5 -4.049 10.053 -3.805 1.00 0.00 O ATOM 68 CB GLU A 5 -4.134 13.134 -2.467 1.00 0.00 C ATOM 69 CG GLU A 5 -4.909 14.321 -1.892 1.00 0.00 C ATOM 70 CD GLU A 5 -5.175 15.422 -2.909 1.00 0.00 C ATOM 71 OE1 GLU A 5 -4.198 16.010 -3.422 1.00 0.00 O ATOM 72 OE2 GLU A 5 -6.360 15.695 -3.192 1.00 0.00 O ATOM 0 H GLU A 5 -5.803 11.372 -1.753 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.379 12.891 -4.216 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.787 12.511 -1.643 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -3.247 13.510 -2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.860 13.966 -1.495 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.350 14.738 -1.054 1.00 0.00 H new ATOM 79 N PRO A 6 -3.139 11.668 -5.123 1.00 0.00 N ATOM 80 CA PRO A 6 -2.219 10.748 -5.834 1.00 0.00 C ATOM 81 C PRO A 6 -1.283 9.968 -4.884 1.00 0.00 C ATOM 82 O PRO A 6 -0.652 10.571 -4.012 1.00 0.00 O ATOM 83 CB PRO A 6 -1.401 11.672 -6.752 1.00 0.00 C ATOM 84 CG PRO A 6 -1.619 13.052 -6.228 1.00 0.00 C ATOM 85 CD PRO A 6 -2.995 13.052 -5.633 1.00 0.00 C ATOM 0 HA PRO A 6 -2.775 9.978 -6.369 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -0.344 11.408 -6.733 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -1.732 11.589 -7.787 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -0.870 13.309 -5.479 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -1.538 13.790 -7.026 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -3.089 13.788 -4.835 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -3.756 13.289 -6.376 1.00 0.00 H new ATOM 93 N PRO A 7 -1.192 8.607 -5.032 1.00 0.00 N ATOM 94 CA PRO A 7 -0.344 7.732 -4.184 1.00 0.00 C ATOM 95 C PRO A 7 1.127 8.169 -4.092 1.00 0.00 C ATOM 96 O PRO A 7 1.741 8.532 -5.100 1.00 0.00 O ATOM 97 CB PRO A 7 -0.467 6.367 -4.890 1.00 0.00 C ATOM 98 CG PRO A 7 -0.929 6.691 -6.257 1.00 0.00 C ATOM 99 CD PRO A 7 -1.910 7.780 -6.023 1.00 0.00 C ATOM 0 HA PRO A 7 -0.672 7.745 -3.145 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.489 5.843 -4.909 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.176 5.718 -4.376 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.107 7.017 -6.895 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -1.388 5.830 -6.743 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.135 8.333 -6.935 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -2.857 7.404 -5.636 1.00 0.00 H new ATOM 107 N TYR A 8 1.666 8.130 -2.866 1.00 0.00 N ATOM 108 CA TYR A 8 3.053 8.517 -2.598 1.00 0.00 C ATOM 109 C TYR A 8 3.766 7.436 -1.777 1.00 0.00 C ATOM 110 O TYR A 8 3.380 7.155 -0.637 1.00 0.00 O ATOM 111 CB TYR A 8 3.083 9.870 -1.852 1.00 0.00 C ATOM 112 CG TYR A 8 4.475 10.428 -1.584 1.00 0.00 C ATOM 113 CD1 TYR A 8 5.247 10.965 -2.611 1.00 0.00 C ATOM 114 CD2 TYR A 8 5.014 10.408 -0.301 1.00 0.00 C ATOM 115 CE1 TYR A 8 6.512 11.466 -2.365 1.00 0.00 C ATOM 116 CE2 TYR A 8 6.278 10.909 -0.050 1.00 0.00 C ATOM 117 CZ TYR A 8 7.022 11.435 -1.085 1.00 0.00 C ATOM 118 OH TYR A 8 8.280 11.934 -0.838 1.00 0.00 O ATOM 0 H TYR A 8 1.153 7.830 -2.037 1.00 0.00 H new ATOM 0 HA TYR A 8 3.579 8.623 -3.547 1.00 0.00 H new ATOM 0 HB2 TYR A 8 2.521 10.601 -2.434 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.565 9.754 -0.900 1.00 0.00 H new ATOM 0 HD1 TYR A 8 4.851 10.991 -3.616 1.00 0.00 H new ATOM 0 HD2 TYR A 8 4.435 9.994 0.512 1.00 0.00 H new ATOM 0 HE1 TYR A 8 7.098 11.880 -3.172 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.681 10.888 0.952 1.00 0.00 H new ATOM 0 HH TYR A 8 8.489 11.838 0.115 1.00 0.00 H new ATOM 128 N THR A 9 4.813 6.843 -2.365 1.00 0.00 N ATOM 129 CA THR A 9 5.597 5.803 -1.696 1.00 0.00 C ATOM 130 C THR A 9 6.848 6.414 -1.039 1.00 0.00 C ATOM 131 O THR A 9 6.931 6.497 0.190 1.00 0.00 O ATOM 132 CB THR A 9 5.979 4.695 -2.704 1.00 0.00 C ATOM 133 OG1 THR A 9 4.824 4.190 -3.349 1.00 0.00 O ATOM 134 CG2 THR A 9 6.705 3.509 -2.085 1.00 0.00 C ATOM 0 H THR A 9 5.136 7.068 -3.306 1.00 0.00 H new ATOM 0 HA THR A 9 4.992 5.353 -0.909 1.00 0.00 H new ATOM 0 HB THR A 9 6.659 5.181 -3.404 1.00 0.00 H new ATOM 0 HG1 THR A 9 4.389 3.529 -2.771 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.936 2.779 -2.860 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.630 3.851 -1.621 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.069 3.047 -1.330 1.00 0.00 H new ATOM 142 N GLY A 10 7.817 6.811 -1.875 1.00 0.00 N ATOM 143 CA GLY A 10 9.061 7.380 -1.388 1.00 0.00 C ATOM 144 C GLY A 10 10.243 6.453 -1.656 1.00 0.00 C ATOM 145 O GLY A 10 10.062 5.231 -1.653 1.00 0.00 O ATOM 0 H GLY A 10 7.754 6.745 -2.891 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.235 8.342 -1.870 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.981 7.569 -0.318 1.00 0.00 H new ATOM 149 N PRO A 11 11.476 6.989 -1.906 1.00 0.00 N ATOM 150 CA PRO A 11 12.667 6.163 -2.188 1.00 0.00 C ATOM 151 C PRO A 11 13.260 5.509 -0.926 1.00 0.00 C ATOM 152 O PRO A 11 14.473 5.573 -0.683 1.00 0.00 O ATOM 153 CB PRO A 11 13.664 7.164 -2.816 1.00 0.00 C ATOM 154 CG PRO A 11 12.920 8.453 -2.968 1.00 0.00 C ATOM 155 CD PRO A 11 11.817 8.422 -1.955 1.00 0.00 C ATOM 0 HA PRO A 11 12.427 5.322 -2.838 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.540 7.292 -2.180 1.00 0.00 H new ATOM 0 HB3 PRO A 11 14.021 6.804 -3.781 1.00 0.00 H new ATOM 0 HG2 PRO A 11 13.579 9.305 -2.800 1.00 0.00 H new ATOM 0 HG3 PRO A 11 12.519 8.554 -3.977 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.145 8.795 -0.985 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.967 9.032 -2.260 1.00 0.00 H new ATOM 163 N CYS A 12 12.389 4.868 -0.130 1.00 0.00 N ATOM 164 CA CYS A 12 12.809 4.191 1.105 1.00 0.00 C ATOM 165 C CYS A 12 11.982 2.950 1.392 1.00 0.00 C ATOM 166 O CYS A 12 10.757 2.992 1.337 1.00 0.00 O ATOM 167 CB CYS A 12 12.727 5.127 2.311 1.00 0.00 C ATOM 168 SG CYS A 12 14.287 5.295 3.218 1.00 0.00 S ATOM 0 H CYS A 12 11.389 4.805 -0.321 1.00 0.00 H new ATOM 0 HA CYS A 12 13.845 3.891 0.944 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.407 6.112 1.973 1.00 0.00 H new ATOM 0 HB3 CYS A 12 11.960 4.759 2.992 1.00 0.00 H new ATOM 173 N LYS A 13 12.695 1.855 1.725 1.00 0.00 N ATOM 174 CA LYS A 13 12.119 0.533 2.074 1.00 0.00 C ATOM 175 C LYS A 13 10.760 0.226 1.401 1.00 0.00 C ATOM 176 O LYS A 13 9.805 -0.211 2.057 1.00 0.00 O ATOM 177 CB LYS A 13 12.009 0.395 3.608 1.00 0.00 C ATOM 178 CG LYS A 13 13.321 0.053 4.325 1.00 0.00 C ATOM 179 CD LYS A 13 14.282 1.243 4.432 1.00 0.00 C ATOM 180 CE LYS A 13 15.311 1.265 3.304 1.00 0.00 C ATOM 181 NZ LYS A 13 16.268 0.124 3.387 1.00 0.00 N ATOM 0 H LYS A 13 13.714 1.862 1.761 1.00 0.00 H new ATOM 0 HA LYS A 13 12.810 -0.210 1.676 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.623 1.330 4.015 1.00 0.00 H new ATOM 0 HB3 LYS A 13 11.276 -0.378 3.836 1.00 0.00 H new ATOM 0 HG2 LYS A 13 13.095 -0.314 5.326 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.817 -0.759 3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.710 2.171 4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 13 14.799 1.204 5.391 1.00 0.00 H new ATOM 0 HE2 LYS A 13 14.795 1.234 2.344 1.00 0.00 H new ATOM 0 HE3 LYS A 13 15.864 2.203 3.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 17.131 0.355 2.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 16.513 -0.052 4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 15.829 -0.728 2.983 1.00 0.00 H new ATOM 195 N ALA A 14 10.691 0.471 0.089 1.00 0.00 N ATOM 196 CA ALA A 14 9.468 0.240 -0.683 1.00 0.00 C ATOM 197 C ALA A 14 9.407 -1.186 -1.246 1.00 0.00 C ATOM 198 O ALA A 14 10.035 -1.498 -2.265 1.00 0.00 O ATOM 199 CB ALA A 14 9.352 1.275 -1.793 1.00 0.00 C ATOM 0 H ALA A 14 11.471 0.830 -0.461 1.00 0.00 H new ATOM 0 HA ALA A 14 8.618 0.348 -0.010 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.440 1.097 -2.363 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.318 2.274 -1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.214 1.197 -2.455 1.00 0.00 H new ATOM 205 N ARG A 15 8.638 -2.048 -0.560 1.00 0.00 N ATOM 206 CA ARG A 15 8.463 -3.460 -0.960 1.00 0.00 C ATOM 207 C ARG A 15 7.139 -4.036 -0.423 1.00 0.00 C ATOM 208 O ARG A 15 7.029 -5.237 -0.142 1.00 0.00 O ATOM 209 CB ARG A 15 9.665 -4.331 -0.506 1.00 0.00 C ATOM 210 CG ARG A 15 10.056 -4.176 0.969 1.00 0.00 C ATOM 211 CD ARG A 15 10.385 -5.515 1.611 1.00 0.00 C ATOM 212 NE ARG A 15 9.182 -6.331 1.831 1.00 0.00 N ATOM 213 CZ ARG A 15 9.182 -7.570 2.344 1.00 0.00 C ATOM 214 NH1 ARG A 15 10.318 -8.170 2.698 1.00 0.00 N ATOM 215 NH2 ARG A 15 8.033 -8.212 2.505 1.00 0.00 N ATOM 0 H ARG A 15 8.122 -1.791 0.282 1.00 0.00 H new ATOM 0 HA ARG A 15 8.423 -3.484 -2.049 1.00 0.00 H new ATOM 0 HB2 ARG A 15 9.428 -5.378 -0.696 1.00 0.00 H new ATOM 0 HB3 ARG A 15 10.528 -4.083 -1.123 1.00 0.00 H new ATOM 0 HG2 ARG A 15 10.918 -3.513 1.049 1.00 0.00 H new ATOM 0 HG3 ARG A 15 9.239 -3.703 1.514 1.00 0.00 H new ATOM 0 HD2 ARG A 15 11.082 -6.061 0.975 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.888 -5.347 2.563 1.00 0.00 H new ATOM 0 HE ARG A 15 8.282 -5.925 1.575 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.208 -7.686 2.581 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.297 -9.113 3.086 1.00 0.00 H new ATOM 0 HH21 ARG A 15 7.156 -7.763 2.239 1.00 0.00 H new ATOM 0 HH22 ARG A 15 8.026 -9.155 2.895 1.00 0.00 H new ATOM 229 N ILE A 16 6.142 -3.161 -0.290 1.00 0.00 N ATOM 230 CA ILE A 16 4.810 -3.540 0.210 1.00 0.00 C ATOM 231 C ILE A 16 3.731 -2.749 -0.542 1.00 0.00 C ATOM 232 O ILE A 16 3.794 -1.530 -0.605 1.00 0.00 O ATOM 233 CB ILE A 16 4.679 -3.291 1.755 1.00 0.00 C ATOM 234 CG1 ILE A 16 5.698 -4.148 2.537 1.00 0.00 C ATOM 235 CG2 ILE A 16 3.254 -3.589 2.248 1.00 0.00 C ATOM 236 CD1 ILE A 16 6.043 -3.611 3.918 1.00 0.00 C ATOM 0 H ILE A 16 6.229 -2.172 -0.523 1.00 0.00 H new ATOM 0 HA ILE A 16 4.675 -4.607 0.033 1.00 0.00 H new ATOM 0 HB ILE A 16 4.892 -2.238 1.937 1.00 0.00 H new ATOM 0 HG12 ILE A 16 5.300 -5.157 2.642 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.614 -4.226 1.952 1.00 0.00 H new ATOM 0 HG21 ILE A 16 3.195 -3.407 3.321 1.00 0.00 H new ATOM 0 HG22 ILE A 16 2.547 -2.940 1.731 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.008 -4.631 2.042 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.764 -4.274 4.396 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.473 -2.614 3.824 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.139 -3.560 4.525 1.00 0.00 H new ATOM 248 N ILE A 17 2.730 -3.463 -1.071 1.00 0.00 N ATOM 249 CA ILE A 17 1.609 -2.837 -1.797 1.00 0.00 C ATOM 250 C ILE A 17 0.458 -2.593 -0.822 1.00 0.00 C ATOM 251 O ILE A 17 0.219 -3.377 0.102 1.00 0.00 O ATOM 252 CB ILE A 17 1.119 -3.707 -3.010 1.00 0.00 C ATOM 253 CG1 ILE A 17 2.285 -4.116 -3.930 1.00 0.00 C ATOM 254 CG2 ILE A 17 0.070 -2.965 -3.840 1.00 0.00 C ATOM 255 CD1 ILE A 17 3.015 -5.374 -3.493 1.00 0.00 C ATOM 0 H ILE A 17 2.670 -4.479 -1.011 1.00 0.00 H new ATOM 0 HA ILE A 17 1.961 -1.892 -2.211 1.00 0.00 H new ATOM 0 HB ILE A 17 0.674 -4.606 -2.583 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.901 -4.265 -4.939 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.999 -3.294 -3.979 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -0.248 -3.594 -4.671 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -0.790 -2.730 -3.213 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.500 -2.041 -4.228 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.820 -5.590 -4.195 1.00 0.00 H new ATOM 0 HD12 ILE A 17 3.432 -5.225 -2.497 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.317 -6.211 -3.472 1.00 0.00 H new ATOM 267 N ARG A 18 -0.203 -1.466 -1.037 1.00 0.00 N ATOM 268 CA ARG A 18 -1.303 -0.999 -0.211 1.00 0.00 C ATOM 269 C ARG A 18 -2.442 -0.450 -1.084 1.00 0.00 C ATOM 270 O ARG A 18 -2.371 -0.526 -2.310 1.00 0.00 O ATOM 271 CB ARG A 18 -0.740 0.082 0.709 1.00 0.00 C ATOM 272 CG ARG A 18 -0.455 -0.403 2.120 1.00 0.00 C ATOM 273 CD ARG A 18 0.081 0.717 2.998 1.00 0.00 C ATOM 274 NE ARG A 18 0.354 0.258 4.365 1.00 0.00 N ATOM 275 CZ ARG A 18 0.821 1.037 5.352 1.00 0.00 C ATOM 276 NH1 ARG A 18 1.076 2.328 5.151 1.00 0.00 N ATOM 277 NH2 ARG A 18 1.033 0.514 6.552 1.00 0.00 N ATOM 0 H ARG A 18 0.017 -0.837 -1.809 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.725 -1.815 0.375 1.00 0.00 H new ATOM 0 HB2 ARG A 18 0.181 0.472 0.276 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.446 0.911 0.755 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.368 -0.805 2.559 1.00 0.00 H new ATOM 0 HG3 ARG A 18 0.268 -1.218 2.086 1.00 0.00 H new ATOM 0 HD2 ARG A 18 0.996 1.116 2.560 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.641 1.533 3.026 1.00 0.00 H new ATOM 0 HE ARG A 18 0.176 -0.723 4.580 1.00 0.00 H new ATOM 0 HH11 ARG A 18 0.917 2.742 4.233 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.431 2.903 5.915 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.841 -0.474 6.719 1.00 0.00 H new ATOM 0 HH22 ARG A 18 1.388 1.099 7.308 1.00 0.00 H new ATOM 291 N TYR A 19 -3.493 0.088 -0.450 1.00 0.00 N ATOM 292 CA TYR A 19 -4.640 0.637 -1.181 1.00 0.00 C ATOM 293 C TYR A 19 -4.794 2.135 -0.940 1.00 0.00 C ATOM 294 O TYR A 19 -4.491 2.633 0.150 1.00 0.00 O ATOM 295 CB TYR A 19 -5.940 -0.081 -0.779 1.00 0.00 C ATOM 296 CG TYR A 19 -6.079 -1.516 -1.271 1.00 0.00 C ATOM 297 CD1 TYR A 19 -5.049 -2.445 -1.136 1.00 0.00 C ATOM 298 CD2 TYR A 19 -7.262 -1.941 -1.864 1.00 0.00 C ATOM 299 CE1 TYR A 19 -5.192 -3.745 -1.579 1.00 0.00 C ATOM 300 CE2 TYR A 19 -7.412 -3.241 -2.310 1.00 0.00 C ATOM 301 CZ TYR A 19 -6.375 -4.138 -2.166 1.00 0.00 C ATOM 302 OH TYR A 19 -6.523 -5.432 -2.609 1.00 0.00 O ATOM 0 H TYR A 19 -3.571 0.154 0.565 1.00 0.00 H new ATOM 0 HA TYR A 19 -4.450 0.474 -2.242 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -6.013 -0.080 0.309 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -6.784 0.497 -1.156 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -4.120 -2.142 -0.676 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -8.078 -1.243 -1.978 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -4.381 -4.450 -1.466 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -8.338 -3.553 -2.770 1.00 0.00 H new ATOM 0 HH TYR A 19 -7.416 -5.545 -2.996 1.00 0.00 H new ATOM 312 N PHE A 20 -5.296 2.834 -1.966 1.00 0.00 N ATOM 313 CA PHE A 20 -5.540 4.279 -1.901 1.00 0.00 C ATOM 314 C PHE A 20 -6.869 4.585 -2.602 1.00 0.00 C ATOM 315 O PHE A 20 -7.305 3.810 -3.462 1.00 0.00 O ATOM 316 CB PHE A 20 -4.368 5.070 -2.540 1.00 0.00 C ATOM 317 CG PHE A 20 -4.511 5.358 -4.017 1.00 0.00 C ATOM 318 CD1 PHE A 20 -4.184 4.403 -4.967 1.00 0.00 C ATOM 319 CD2 PHE A 20 -4.984 6.589 -4.447 1.00 0.00 C ATOM 320 CE1 PHE A 20 -4.334 4.671 -6.315 1.00 0.00 C ATOM 321 CE2 PHE A 20 -5.129 6.862 -5.792 1.00 0.00 C ATOM 322 CZ PHE A 20 -4.806 5.901 -6.726 1.00 0.00 C ATOM 0 H PHE A 20 -5.544 2.414 -2.862 1.00 0.00 H new ATOM 0 HA PHE A 20 -5.603 4.594 -0.859 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.260 6.017 -2.011 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.446 4.510 -2.384 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -3.809 3.441 -4.651 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.242 7.344 -3.719 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -4.082 3.918 -7.047 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -5.495 7.826 -6.112 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.922 6.111 -7.779 1.00 0.00 H new ATOM 332 N TYR A 21 -7.512 5.701 -2.240 1.00 0.00 N ATOM 333 CA TYR A 21 -8.791 6.078 -2.844 1.00 0.00 C ATOM 334 C TYR A 21 -8.605 6.956 -4.081 1.00 0.00 C ATOM 335 O TYR A 21 -7.888 7.960 -4.040 1.00 0.00 O ATOM 336 CB TYR A 21 -9.660 6.845 -1.831 1.00 0.00 C ATOM 337 CG TYR A 21 -11.072 7.130 -2.310 1.00 0.00 C ATOM 338 CD1 TYR A 21 -12.028 6.124 -2.374 1.00 0.00 C ATOM 339 CD2 TYR A 21 -11.444 8.413 -2.691 1.00 0.00 C ATOM 340 CE1 TYR A 21 -13.314 6.391 -2.803 1.00 0.00 C ATOM 341 CE2 TYR A 21 -12.727 8.688 -3.120 1.00 0.00 C ATOM 342 CZ TYR A 21 -13.659 7.675 -3.172 1.00 0.00 C ATOM 343 OH TYR A 21 -14.939 7.943 -3.599 1.00 0.00 O ATOM 0 H TYR A 21 -7.169 6.354 -1.536 1.00 0.00 H new ATOM 0 HA TYR A 21 -9.281 5.151 -3.141 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -9.711 6.271 -0.906 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -9.172 7.790 -1.593 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.762 5.118 -2.084 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -10.716 9.210 -2.651 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -14.046 5.598 -2.849 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -12.998 9.691 -3.413 1.00 0.00 H new ATOM 0 HH TYR A 21 -15.018 8.894 -3.820 1.00 0.00 H new ATOM 353 N ASN A 22 -9.306 6.593 -5.159 1.00 0.00 N ATOM 354 CA ASN A 22 -9.287 7.360 -6.387 1.00 0.00 C ATOM 355 C ASN A 22 -10.550 8.214 -6.422 1.00 0.00 C ATOM 356 O ASN A 22 -11.657 7.700 -6.204 1.00 0.00 O ATOM 357 CB ASN A 22 -9.230 6.443 -7.605 1.00 0.00 C ATOM 358 CG ASN A 22 -7.999 5.553 -7.636 1.00 0.00 C ATOM 359 OD1 ASN A 22 -7.758 4.775 -6.712 1.00 0.00 O ATOM 360 ND2 ASN A 22 -7.218 5.658 -8.705 1.00 0.00 N ATOM 0 H ASN A 22 -9.897 5.762 -5.196 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.399 7.991 -6.417 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.122 5.817 -7.621 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.252 7.051 -8.509 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.381 5.081 -8.784 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -7.455 6.316 -9.447 1.00 0.00 H new ATOM 367 N ALA A 23 -10.384 9.507 -6.694 1.00 0.00 N ATOM 368 CA ALA A 23 -11.513 10.436 -6.746 1.00 0.00 C ATOM 369 C ALA A 23 -12.106 10.533 -8.158 1.00 0.00 C ATOM 370 O ALA A 23 -12.955 11.393 -8.424 1.00 0.00 O ATOM 371 CB ALA A 23 -11.073 11.808 -6.243 1.00 0.00 C ATOM 0 H ALA A 23 -9.478 9.936 -6.882 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.301 10.053 -6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.916 12.498 -6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -10.722 11.723 -5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.266 12.184 -6.872 1.00 0.00 H new ATOM 377 N LYS A 24 -11.667 9.637 -9.054 1.00 0.00 N ATOM 378 CA LYS A 24 -12.165 9.613 -10.431 1.00 0.00 C ATOM 379 C LYS A 24 -13.265 8.568 -10.598 1.00 0.00 C ATOM 380 O LYS A 24 -14.093 8.667 -11.507 1.00 0.00 O ATOM 381 CB LYS A 24 -11.025 9.326 -11.417 1.00 0.00 C ATOM 382 CG LYS A 24 -9.994 10.443 -11.514 1.00 0.00 C ATOM 383 CD LYS A 24 -8.893 10.100 -12.505 1.00 0.00 C ATOM 384 CE LYS A 24 -7.864 11.214 -12.603 1.00 0.00 C ATOM 385 NZ LYS A 24 -6.781 10.888 -13.571 1.00 0.00 N ATOM 0 H LYS A 24 -10.969 8.922 -8.847 1.00 0.00 H new ATOM 0 HA LYS A 24 -12.582 10.597 -10.647 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -10.522 8.406 -11.118 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.449 9.150 -12.406 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -10.485 11.367 -11.819 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.558 10.623 -10.532 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.402 9.176 -12.199 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.330 9.919 -13.487 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.357 12.137 -12.908 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.430 11.394 -11.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.100 11.673 -13.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -6.293 10.021 -13.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.192 10.741 -14.515 1.00 0.00 H new ATOM 399 N ALA A 25 -13.240 7.554 -9.722 1.00 0.00 N ATOM 400 CA ALA A 25 -14.204 6.459 -9.764 1.00 0.00 C ATOM 401 C ALA A 25 -14.759 6.108 -8.381 1.00 0.00 C ATOM 402 O ALA A 25 -15.887 5.616 -8.276 1.00 0.00 O ATOM 403 CB ALA A 25 -13.542 5.237 -10.378 1.00 0.00 C ATOM 0 H ALA A 25 -12.554 7.475 -8.971 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.048 6.785 -10.372 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -14.257 4.415 -10.412 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.211 5.472 -11.389 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.683 4.946 -9.773 1.00 0.00 H new ATOM 409 N GLY A 26 -13.959 6.339 -7.328 1.00 0.00 N ATOM 410 CA GLY A 26 -14.389 6.012 -5.971 1.00 0.00 C ATOM 411 C GLY A 26 -13.883 4.648 -5.517 1.00 0.00 C ATOM 412 O GLY A 26 -14.293 4.142 -4.469 1.00 0.00 O ATOM 0 H GLY A 26 -13.026 6.745 -7.394 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.029 6.778 -5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -15.478 6.027 -5.924 1.00 0.00 H new ATOM 416 N LEU A 27 -13.002 4.062 -6.330 1.00 0.00 N ATOM 417 CA LEU A 27 -12.426 2.746 -6.050 1.00 0.00 C ATOM 418 C LEU A 27 -11.066 2.854 -5.354 1.00 0.00 C ATOM 419 O LEU A 27 -10.328 3.827 -5.553 1.00 0.00 O ATOM 420 CB LEU A 27 -12.320 1.909 -7.349 1.00 0.00 C ATOM 421 CG LEU A 27 -11.654 2.584 -8.569 1.00 0.00 C ATOM 422 CD1 LEU A 27 -10.134 2.479 -8.508 1.00 0.00 C ATOM 423 CD2 LEU A 27 -12.177 1.971 -9.859 1.00 0.00 C ATOM 0 H LEU A 27 -12.669 4.484 -7.197 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.098 2.233 -5.362 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.765 0.999 -7.121 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -13.326 1.604 -7.638 1.00 0.00 H new ATOM 0 HG LEU A 27 -11.913 3.643 -8.547 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.700 2.965 -9.382 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.771 2.968 -7.604 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.842 1.429 -8.494 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.700 2.455 -10.711 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -11.950 0.905 -9.873 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -13.256 2.113 -9.918 1.00 0.00 H new ATOM 435 N CYS A 28 -10.747 1.827 -4.556 1.00 0.00 N ATOM 436 CA CYS A 28 -9.478 1.749 -3.834 1.00 0.00 C ATOM 437 C CYS A 28 -8.492 0.903 -4.643 1.00 0.00 C ATOM 438 O CYS A 28 -8.681 -0.309 -4.803 1.00 0.00 O ATOM 439 CB CYS A 28 -9.695 1.166 -2.428 1.00 0.00 C ATOM 440 SG CYS A 28 -10.688 2.232 -1.336 1.00 0.00 S ATOM 0 H CYS A 28 -11.363 1.030 -4.395 1.00 0.00 H new ATOM 0 HA CYS A 28 -9.063 2.749 -3.711 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -10.186 0.197 -2.518 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -8.725 0.990 -1.964 1.00 0.00 H new ATOM 445 N GLN A 29 -7.471 1.570 -5.193 1.00 0.00 N ATOM 446 CA GLN A 29 -6.472 0.912 -6.040 1.00 0.00 C ATOM 447 C GLN A 29 -5.260 0.430 -5.232 1.00 0.00 C ATOM 448 O GLN A 29 -4.976 0.942 -4.145 1.00 0.00 O ATOM 449 CB GLN A 29 -6.034 1.880 -7.159 1.00 0.00 C ATOM 450 CG GLN A 29 -5.321 1.227 -8.348 1.00 0.00 C ATOM 451 CD GLN A 29 -6.239 0.369 -9.207 1.00 0.00 C ATOM 452 OE1 GLN A 29 -7.210 0.860 -9.784 1.00 0.00 O ATOM 453 NE2 GLN A 29 -5.932 -0.921 -9.292 1.00 0.00 N ATOM 0 H GLN A 29 -7.315 2.570 -5.065 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.928 0.026 -6.481 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.915 2.405 -7.528 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -5.373 2.632 -6.728 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.878 2.006 -8.969 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.502 0.611 -7.977 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.118 -1.285 -8.797 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -6.510 -1.547 -9.852 1.00 0.00 H new ATOM 462 N THR A 30 -4.565 -0.566 -5.800 1.00 0.00 N ATOM 463 CA THR A 30 -3.374 -1.165 -5.183 1.00 0.00 C ATOM 464 C THR A 30 -2.100 -0.434 -5.610 1.00 0.00 C ATOM 465 O THR A 30 -1.856 -0.236 -6.804 1.00 0.00 O ATOM 466 CB THR A 30 -3.267 -2.654 -5.545 1.00 0.00 C ATOM 467 OG1 THR A 30 -3.354 -2.841 -6.947 1.00 0.00 O ATOM 468 CG2 THR A 30 -4.332 -3.517 -4.897 1.00 0.00 C ATOM 0 H THR A 30 -4.813 -0.978 -6.699 1.00 0.00 H new ATOM 0 HA THR A 30 -3.480 -1.068 -4.102 1.00 0.00 H new ATOM 0 HB THR A 30 -2.295 -2.967 -5.164 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.932 -2.084 -7.405 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.192 -4.555 -5.199 1.00 0.00 H new ATOM 0 HG22 THR A 30 -4.252 -3.441 -3.813 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.318 -3.177 -5.213 1.00 0.00 H new ATOM 476 N PHE A 31 -1.296 -0.039 -4.611 1.00 0.00 N ATOM 477 CA PHE A 31 -0.035 0.674 -4.835 1.00 0.00 C ATOM 478 C PHE A 31 0.955 0.352 -3.700 1.00 0.00 C ATOM 479 O PHE A 31 0.541 0.060 -2.586 1.00 0.00 O ATOM 480 CB PHE A 31 -0.297 2.195 -4.930 1.00 0.00 C ATOM 481 CG PHE A 31 -0.346 2.904 -3.604 1.00 0.00 C ATOM 482 CD1 PHE A 31 -1.475 2.861 -2.796 1.00 0.00 C ATOM 483 CD2 PHE A 31 0.758 3.607 -3.171 1.00 0.00 C ATOM 484 CE1 PHE A 31 -1.487 3.513 -1.578 1.00 0.00 C ATOM 485 CE2 PHE A 31 0.753 4.257 -1.961 1.00 0.00 C ATOM 486 CZ PHE A 31 -0.370 4.213 -1.159 1.00 0.00 C ATOM 0 H PHE A 31 -1.504 -0.206 -3.627 1.00 0.00 H new ATOM 0 HA PHE A 31 0.405 0.346 -5.777 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.484 2.648 -5.541 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.242 2.356 -5.449 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.348 2.315 -3.122 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.640 3.647 -3.793 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.368 3.476 -0.954 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.627 4.802 -1.637 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.376 4.724 -0.207 1.00 0.00 H new ATOM 496 N VAL A 32 2.253 0.384 -4.006 1.00 0.00 N ATOM 497 CA VAL A 32 3.324 0.060 -3.051 1.00 0.00 C ATOM 498 C VAL A 32 3.587 1.208 -2.049 1.00 0.00 C ATOM 499 O VAL A 32 3.213 2.358 -2.276 1.00 0.00 O ATOM 500 CB VAL A 32 4.652 -0.292 -3.816 1.00 0.00 C ATOM 501 CG1 VAL A 32 5.670 -0.994 -2.917 1.00 0.00 C ATOM 502 CG2 VAL A 32 4.377 -1.158 -5.044 1.00 0.00 C ATOM 0 H VAL A 32 2.598 0.638 -4.932 1.00 0.00 H new ATOM 0 HA VAL A 32 2.988 -0.805 -2.480 1.00 0.00 H new ATOM 0 HB VAL A 32 5.077 0.659 -4.137 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.570 -1.216 -3.491 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.925 -0.344 -2.080 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.242 -1.922 -2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.317 -1.382 -5.549 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.901 -2.088 -4.734 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.717 -0.622 -5.727 1.00 0.00 H new ATOM 512 N TYR A 33 4.245 0.835 -0.948 1.00 0.00 N ATOM 513 CA TYR A 33 4.607 1.744 0.138 1.00 0.00 C ATOM 514 C TYR A 33 6.041 1.464 0.596 1.00 0.00 C ATOM 515 O TYR A 33 6.569 0.369 0.371 1.00 0.00 O ATOM 516 CB TYR A 33 3.611 1.587 1.312 1.00 0.00 C ATOM 517 CG TYR A 33 3.831 2.524 2.497 1.00 0.00 C ATOM 518 CD1 TYR A 33 3.910 3.908 2.334 1.00 0.00 C ATOM 519 CD2 TYR A 33 3.960 2.013 3.783 1.00 0.00 C ATOM 520 CE1 TYR A 33 4.107 4.744 3.415 1.00 0.00 C ATOM 521 CE2 TYR A 33 4.157 2.847 4.867 1.00 0.00 C ATOM 522 CZ TYR A 33 4.231 4.209 4.678 1.00 0.00 C ATOM 523 OH TYR A 33 4.426 5.037 5.757 1.00 0.00 O ATOM 0 H TYR A 33 4.546 -0.126 -0.785 1.00 0.00 H new ATOM 0 HA TYR A 33 4.556 2.772 -0.219 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.602 1.743 0.931 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.660 0.559 1.671 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.815 4.332 1.345 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.905 0.946 3.938 1.00 0.00 H new ATOM 0 HE1 TYR A 33 4.164 5.813 3.271 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.253 2.432 5.859 1.00 0.00 H new ATOM 0 HH TYR A 33 4.492 4.500 6.574 1.00 0.00 H new ATOM 533 N GLY A 34 6.659 2.462 1.233 1.00 0.00 N ATOM 534 CA GLY A 34 8.022 2.318 1.710 1.00 0.00 C ATOM 535 C GLY A 34 8.117 2.148 3.214 1.00 0.00 C ATOM 536 O GLY A 34 7.119 1.849 3.876 1.00 0.00 O ATOM 0 H GLY A 34 6.235 3.369 1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.480 1.456 1.224 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.598 3.195 1.413 1.00 0.00 H new ATOM 540 N GLY A 35 9.332 2.337 3.743 1.00 0.00 N ATOM 541 CA GLY A 35 9.571 2.201 5.172 1.00 0.00 C ATOM 542 C GLY A 35 9.845 3.530 5.849 1.00 0.00 C ATOM 543 O GLY A 35 9.096 3.937 6.742 1.00 0.00 O ATOM 0 H GLY A 35 10.159 2.584 3.199 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.704 1.732 5.638 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.418 1.535 5.333 1.00 0.00 H new ATOM 547 N CYS A 36 10.920 4.209 5.418 1.00 0.00 N ATOM 548 CA CYS A 36 11.301 5.514 5.982 1.00 0.00 C ATOM 549 C CYS A 36 10.472 6.669 5.404 1.00 0.00 C ATOM 550 O CYS A 36 10.404 7.744 6.009 1.00 0.00 O ATOM 551 CB CYS A 36 12.796 5.813 5.778 1.00 0.00 C ATOM 552 SG CYS A 36 13.791 4.493 5.012 1.00 0.00 S ATOM 0 H CYS A 36 11.541 3.876 4.681 1.00 0.00 H new ATOM 0 HA CYS A 36 11.094 5.442 7.050 1.00 0.00 H new ATOM 0 HB2 CYS A 36 12.884 6.708 5.162 1.00 0.00 H new ATOM 0 HB3 CYS A 36 13.232 6.050 6.748 1.00 0.00 H new ATOM 557 N ARG A 37 9.846 6.444 4.241 1.00 0.00 N ATOM 558 CA ARG A 37 9.023 7.470 3.592 1.00 0.00 C ATOM 559 C ARG A 37 7.543 7.274 3.928 1.00 0.00 C ATOM 560 O ARG A 37 6.878 6.382 3.386 1.00 0.00 O ATOM 561 CB ARG A 37 9.242 7.463 2.065 1.00 0.00 C ATOM 562 CG ARG A 37 10.647 7.876 1.618 1.00 0.00 C ATOM 563 CD ARG A 37 10.872 9.388 1.728 1.00 0.00 C ATOM 564 NE ARG A 37 12.223 9.800 1.302 1.00 0.00 N ATOM 565 CZ ARG A 37 13.360 9.566 1.985 1.00 0.00 C ATOM 566 NH1 ARG A 37 13.342 8.916 3.147 1.00 0.00 N ATOM 567 NH2 ARG A 37 14.517 9.989 1.496 1.00 0.00 N ATOM 0 H ARG A 37 9.894 5.561 3.732 1.00 0.00 H new ATOM 0 HA ARG A 37 9.332 8.443 3.975 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.035 6.462 1.687 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.517 8.134 1.605 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.387 7.356 2.226 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.805 7.562 0.586 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.131 9.906 1.119 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.711 9.700 2.760 1.00 0.00 H new ATOM 0 HE ARG A 37 12.302 10.303 0.418 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.457 8.586 3.533 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.213 8.748 3.651 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.543 10.489 0.607 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.382 9.815 2.009 1.00 0.00 H new ATOM 581 N ALA A 38 7.046 8.109 4.845 1.00 0.00 N ATOM 582 CA ALA A 38 5.654 8.045 5.290 1.00 0.00 C ATOM 583 C ALA A 38 4.919 9.353 5.021 1.00 0.00 C ATOM 584 O ALA A 38 5.519 10.431 5.054 1.00 0.00 O ATOM 585 CB ALA A 38 5.592 7.703 6.771 1.00 0.00 C ATOM 0 H ALA A 38 7.593 8.842 5.296 1.00 0.00 H new ATOM 0 HA ALA A 38 5.157 7.261 4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.551 7.658 7.091 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.066 6.736 6.941 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.115 8.469 7.344 1.00 0.00 H new ATOM 591 N LYS A 39 3.611 9.239 4.759 1.00 0.00 N ATOM 592 CA LYS A 39 2.759 10.396 4.481 1.00 0.00 C ATOM 593 C LYS A 39 1.415 10.240 5.233 1.00 0.00 C ATOM 594 O LYS A 39 1.422 10.055 6.454 1.00 0.00 O ATOM 595 CB LYS A 39 2.584 10.546 2.947 1.00 0.00 C ATOM 596 CG LYS A 39 2.474 11.991 2.451 1.00 0.00 C ATOM 597 CD LYS A 39 1.084 12.588 2.661 1.00 0.00 C ATOM 598 CE LYS A 39 1.000 14.026 2.160 1.00 0.00 C ATOM 599 NZ LYS A 39 1.118 14.118 0.676 1.00 0.00 N ATOM 0 H LYS A 39 3.118 8.346 4.734 1.00 0.00 H new ATOM 0 HA LYS A 39 3.220 11.315 4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.430 10.070 2.451 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.689 10.003 2.643 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.210 12.605 2.970 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.722 12.025 1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.345 11.979 2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.833 12.558 3.721 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.052 14.463 2.474 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.792 14.616 2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.937 15.096 0.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.076 13.837 0.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.423 13.484 0.233 1.00 0.00 H new ATOM 613 N ARG A 40 0.276 10.305 4.518 1.00 0.00 N ATOM 614 CA ARG A 40 -1.057 10.161 5.127 1.00 0.00 C ATOM 615 C ARG A 40 -2.028 9.414 4.196 1.00 0.00 C ATOM 616 O ARG A 40 -3.191 9.196 4.556 1.00 0.00 O ATOM 617 CB ARG A 40 -1.647 11.542 5.478 1.00 0.00 C ATOM 618 CG ARG A 40 -0.916 12.295 6.596 1.00 0.00 C ATOM 619 CD ARG A 40 -1.204 11.719 7.984 1.00 0.00 C ATOM 620 NE ARG A 40 -2.602 11.916 8.394 1.00 0.00 N ATOM 621 CZ ARG A 40 -3.120 11.508 9.562 1.00 0.00 C ATOM 622 NH1 ARG A 40 -2.371 10.875 10.464 1.00 0.00 N ATOM 623 NH2 ARG A 40 -4.398 11.740 9.828 1.00 0.00 N ATOM 0 H ARG A 40 0.255 10.458 3.510 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.932 9.576 6.038 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.642 12.161 4.581 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.689 11.411 5.770 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.157 12.262 6.409 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.211 13.344 6.574 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.974 10.654 7.987 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.545 12.189 8.713 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.223 12.398 7.743 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.386 10.693 10.272 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -2.783 10.572 11.347 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.981 12.226 9.146 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.798 11.432 10.714 1.00 0.00 H new ATOM 637 N ASN A 41 -1.552 9.038 3.000 1.00 0.00 N ATOM 638 CA ASN A 41 -2.381 8.340 2.019 1.00 0.00 C ATOM 639 C ASN A 41 -1.963 6.870 1.864 1.00 0.00 C ATOM 640 O ASN A 41 -1.317 6.495 0.876 1.00 0.00 O ATOM 641 CB ASN A 41 -2.318 9.093 0.665 1.00 0.00 C ATOM 642 CG ASN A 41 -3.198 8.509 -0.454 1.00 0.00 C ATOM 643 OD1 ASN A 41 -3.684 7.275 -0.290 1.00 0.00 O flip ATOM 644 ND2 ASN A 41 -3.412 9.161 -1.473 1.00 0.00 N flip ATOM 0 H ASN A 41 -0.594 9.208 2.693 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.412 8.333 2.374 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.610 10.130 0.831 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -1.283 9.105 0.322 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -3.027 10.101 -1.568 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.975 8.763 -2.224 1.00 0.00 H new ATOM 651 N ASN A 42 -2.383 6.033 2.821 1.00 0.00 N ATOM 652 CA ASN A 42 -2.106 4.593 2.775 1.00 0.00 C ATOM 653 C ASN A 42 -3.123 3.797 3.574 1.00 0.00 C ATOM 654 O ASN A 42 -3.319 4.032 4.773 1.00 0.00 O ATOM 655 CB ASN A 42 -0.719 4.222 3.286 1.00 0.00 C ATOM 656 CG ASN A 42 0.402 4.615 2.345 1.00 0.00 C ATOM 657 OD1 ASN A 42 0.940 3.635 1.630 1.00 0.00 O flip ATOM 658 ND2 ASN A 42 0.771 5.786 2.249 1.00 0.00 N flip ATOM 0 H ASN A 42 -2.917 6.330 3.638 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.167 4.339 1.717 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.557 4.702 4.251 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.679 3.146 3.455 1.00 0.00 H new ATOM 0 HD21 ASN A 42 0.329 6.508 2.818 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.518 6.034 1.600 1.00 0.00 H new ATOM 665 N PHE A 43 -3.757 2.848 2.890 1.00 0.00 N ATOM 666 CA PHE A 43 -4.758 1.976 3.492 1.00 0.00 C ATOM 667 C PHE A 43 -4.513 0.523 3.072 1.00 0.00 C ATOM 668 O PHE A 43 -4.813 0.140 1.940 1.00 0.00 O ATOM 669 CB PHE A 43 -6.160 2.416 3.060 1.00 0.00 C ATOM 670 CG PHE A 43 -6.689 3.643 3.760 1.00 0.00 C ATOM 671 CD1 PHE A 43 -6.208 4.909 3.454 1.00 0.00 C ATOM 672 CD2 PHE A 43 -7.679 3.525 4.721 1.00 0.00 C ATOM 673 CE1 PHE A 43 -6.704 6.029 4.095 1.00 0.00 C ATOM 674 CE2 PHE A 43 -8.178 4.640 5.366 1.00 0.00 C ATOM 675 CZ PHE A 43 -7.690 5.894 5.052 1.00 0.00 C ATOM 0 H PHE A 43 -3.590 2.663 1.901 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.681 2.046 4.577 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -6.150 2.605 1.987 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.852 1.592 3.232 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -5.437 5.020 2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.066 2.548 4.970 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.321 7.008 3.848 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -8.949 4.532 6.115 1.00 0.00 H new ATOM 0 HZ PHE A 43 -8.079 6.767 5.554 1.00 0.00 H new ATOM 685 N LYS A 44 -3.945 -0.281 3.982 1.00 0.00 N ATOM 686 CA LYS A 44 -3.636 -1.694 3.697 1.00 0.00 C ATOM 687 C LYS A 44 -4.900 -2.581 3.682 1.00 0.00 C ATOM 688 O LYS A 44 -4.813 -3.794 3.458 1.00 0.00 O ATOM 689 CB LYS A 44 -2.633 -2.219 4.741 1.00 0.00 C ATOM 690 CG LYS A 44 -1.483 -3.047 4.165 1.00 0.00 C ATOM 691 CD LYS A 44 -1.913 -4.454 3.764 1.00 0.00 C ATOM 692 CE LYS A 44 -0.748 -5.256 3.210 1.00 0.00 C ATOM 693 NZ LYS A 44 -1.158 -6.632 2.816 1.00 0.00 N ATOM 0 H LYS A 44 -3.689 0.021 4.922 1.00 0.00 H new ATOM 0 HA LYS A 44 -3.200 -1.744 2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.215 -1.370 5.282 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.171 -2.827 5.468 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -1.073 -2.535 3.294 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.683 -3.112 4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.331 -4.968 4.629 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.704 -4.395 3.016 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -0.331 -4.740 2.345 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.042 -5.313 3.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.335 -7.146 2.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.533 -7.134 3.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.894 -6.578 2.083 1.00 0.00 H new ATOM 707 N SER A 45 -6.068 -1.966 3.909 1.00 0.00 N ATOM 708 CA SER A 45 -7.344 -2.686 3.917 1.00 0.00 C ATOM 709 C SER A 45 -8.411 -1.930 3.131 1.00 0.00 C ATOM 710 O SER A 45 -8.576 -0.714 3.300 1.00 0.00 O ATOM 711 CB SER A 45 -7.822 -2.911 5.354 1.00 0.00 C ATOM 712 OG SER A 45 -6.880 -3.671 6.092 1.00 0.00 O ATOM 0 H SER A 45 -6.153 -0.966 4.090 1.00 0.00 H new ATOM 0 HA SER A 45 -7.182 -3.651 3.437 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.981 -1.950 5.842 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.782 -3.426 5.345 1.00 0.00 H new ATOM 0 HG SER A 45 -7.208 -3.799 7.007 1.00 0.00 H new ATOM 718 N ALA A 46 -9.147 -2.667 2.282 1.00 0.00 N ATOM 719 CA ALA A 46 -10.224 -2.094 1.460 1.00 0.00 C ATOM 720 C ALA A 46 -11.360 -1.550 2.332 1.00 0.00 C ATOM 721 O ALA A 46 -11.847 -0.439 2.100 1.00 0.00 O ATOM 722 CB ALA A 46 -10.749 -3.135 0.479 1.00 0.00 C ATOM 0 H ALA A 46 -9.013 -3.669 2.147 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.811 -1.258 0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -11.546 -2.698 -0.123 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.939 -3.462 -0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -11.139 -3.991 1.030 1.00 0.00 H new ATOM 728 N GLU A 47 -11.772 -2.356 3.334 1.00 0.00 N ATOM 729 CA GLU A 47 -12.854 -1.997 4.273 1.00 0.00 C ATOM 730 C GLU A 47 -12.635 -0.582 4.845 1.00 0.00 C ATOM 731 O GLU A 47 -13.505 0.287 4.707 1.00 0.00 O ATOM 732 CB GLU A 47 -12.938 -3.045 5.400 1.00 0.00 C ATOM 733 CG GLU A 47 -14.254 -3.029 6.180 1.00 0.00 C ATOM 734 CD GLU A 47 -14.325 -4.073 7.292 1.00 0.00 C ATOM 735 OE1 GLU A 47 -13.347 -4.834 7.480 1.00 0.00 O ATOM 736 OE2 GLU A 47 -15.367 -4.128 7.978 1.00 0.00 O ATOM 0 H GLU A 47 -11.363 -3.273 3.514 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.801 -1.991 3.734 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -12.797 -4.036 4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -12.115 -2.880 6.096 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -14.396 -2.039 6.614 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.078 -3.194 5.486 1.00 0.00 H new ATOM 743 N ASP A 48 -11.458 -0.352 5.461 1.00 0.00 N ATOM 744 CA ASP A 48 -11.108 0.960 6.028 1.00 0.00 C ATOM 745 C ASP A 48 -11.048 2.028 4.930 1.00 0.00 C ATOM 746 O ASP A 48 -11.612 3.113 5.090 1.00 0.00 O ATOM 747 CB ASP A 48 -9.766 0.890 6.772 1.00 0.00 C ATOM 748 CG ASP A 48 -9.822 0.014 8.012 1.00 0.00 C ATOM 749 OD1 ASP A 48 -10.601 0.338 8.934 1.00 0.00 O ATOM 750 OD2 ASP A 48 -9.089 -0.996 8.059 1.00 0.00 O ATOM 0 H ASP A 48 -10.734 -1.061 5.577 1.00 0.00 H new ATOM 0 HA ASP A 48 -11.886 1.237 6.739 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -9.002 0.506 6.096 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -9.462 1.897 7.058 1.00 0.00 H new ATOM 755 N CYS A 49 -10.352 1.697 3.816 1.00 0.00 N ATOM 756 CA CYS A 49 -10.201 2.612 2.664 1.00 0.00 C ATOM 757 C CYS A 49 -11.548 3.245 2.270 1.00 0.00 C ATOM 758 O CYS A 49 -11.642 4.461 2.110 1.00 0.00 O ATOM 759 CB CYS A 49 -9.574 1.884 1.461 1.00 0.00 C ATOM 760 SG CYS A 49 -9.328 2.941 -0.005 1.00 0.00 S ATOM 0 H CYS A 49 -9.885 0.798 3.693 1.00 0.00 H new ATOM 0 HA CYS A 49 -9.529 3.414 2.969 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.612 1.470 1.762 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -10.211 1.043 1.186 1.00 0.00 H new ATOM 765 N MET A 50 -12.587 2.411 2.129 1.00 0.00 N ATOM 766 CA MET A 50 -13.924 2.876 1.769 1.00 0.00 C ATOM 767 C MET A 50 -14.624 3.591 2.937 1.00 0.00 C ATOM 768 O MET A 50 -15.308 4.597 2.733 1.00 0.00 O ATOM 769 CB MET A 50 -14.765 1.689 1.304 1.00 0.00 C ATOM 770 CG MET A 50 -14.386 1.158 -0.071 1.00 0.00 C ATOM 771 SD MET A 50 -15.401 -0.243 -0.581 1.00 0.00 S ATOM 772 CE MET A 50 -14.701 -0.600 -2.191 1.00 0.00 C ATOM 0 H MET A 50 -12.521 1.402 2.261 1.00 0.00 H new ATOM 0 HA MET A 50 -13.820 3.601 0.962 1.00 0.00 H new ATOM 0 HB2 MET A 50 -14.670 0.883 2.032 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.814 1.984 1.291 1.00 0.00 H new ATOM 0 HG2 MET A 50 -14.484 1.958 -0.805 1.00 0.00 H new ATOM 0 HG3 MET A 50 -13.338 0.859 -0.064 1.00 0.00 H new ATOM 0 HE1 MET A 50 -15.225 -1.446 -2.636 1.00 0.00 H new ATOM 0 HE2 MET A 50 -14.807 0.273 -2.836 1.00 0.00 H new ATOM 0 HE3 MET A 50 -13.644 -0.844 -2.082 1.00 0.00 H new ATOM 782 N ARG A 51 -14.445 3.066 4.162 1.00 0.00 N ATOM 783 CA ARG A 51 -15.065 3.649 5.369 1.00 0.00 C ATOM 784 C ARG A 51 -14.473 5.014 5.757 1.00 0.00 C ATOM 785 O ARG A 51 -15.108 5.774 6.494 1.00 0.00 O ATOM 786 CB ARG A 51 -14.942 2.684 6.555 1.00 0.00 C ATOM 787 CG ARG A 51 -15.791 1.424 6.422 1.00 0.00 C ATOM 788 CD ARG A 51 -15.701 0.540 7.660 1.00 0.00 C ATOM 789 NE ARG A 51 -14.370 -0.063 7.828 1.00 0.00 N ATOM 790 CZ ARG A 51 -14.022 -0.875 8.836 1.00 0.00 C ATOM 791 NH1 ARG A 51 -14.891 -1.198 9.793 1.00 0.00 N ATOM 792 NH2 ARG A 51 -12.791 -1.367 8.886 1.00 0.00 N ATOM 0 H ARG A 51 -13.876 2.239 4.344 1.00 0.00 H new ATOM 0 HA ARG A 51 -16.114 3.810 5.122 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.897 2.395 6.668 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -15.228 3.208 7.467 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -16.831 1.704 6.252 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -15.466 0.859 5.549 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -15.942 1.132 8.543 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -16.448 -0.251 7.593 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.661 0.152 7.127 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -15.840 -0.826 9.767 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -14.607 -1.818 10.552 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -12.116 -1.127 8.160 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.520 -1.985 9.650 1.00 0.00 H new ATOM 806 N THR A 52 -13.264 5.317 5.264 1.00 0.00 N ATOM 807 CA THR A 52 -12.599 6.586 5.569 1.00 0.00 C ATOM 808 C THR A 52 -12.643 7.532 4.357 1.00 0.00 C ATOM 809 O THR A 52 -13.036 8.694 4.491 1.00 0.00 O ATOM 810 CB THR A 52 -11.143 6.328 6.018 1.00 0.00 C ATOM 811 OG1 THR A 52 -11.092 5.273 6.963 1.00 0.00 O ATOM 812 CG2 THR A 52 -10.471 7.529 6.665 1.00 0.00 C ATOM 0 H THR A 52 -12.729 4.700 4.653 1.00 0.00 H new ATOM 0 HA THR A 52 -13.132 7.071 6.387 1.00 0.00 H new ATOM 0 HB THR A 52 -10.611 6.085 5.099 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.221 4.417 6.504 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.453 7.266 6.951 1.00 0.00 H new ATOM 0 HG22 THR A 52 -10.446 8.357 5.957 1.00 0.00 H new ATOM 0 HG23 THR A 52 -11.032 7.826 7.551 1.00 0.00 H new ATOM 820 N CYS A 53 -12.217 7.029 3.191 1.00 0.00 N ATOM 821 CA CYS A 53 -12.177 7.824 1.964 1.00 0.00 C ATOM 822 C CYS A 53 -13.236 7.400 0.930 1.00 0.00 C ATOM 823 O CYS A 53 -13.102 7.732 -0.248 1.00 0.00 O ATOM 824 CB CYS A 53 -10.773 7.750 1.337 1.00 0.00 C ATOM 825 SG CYS A 53 -9.739 6.352 1.899 1.00 0.00 S ATOM 0 H CYS A 53 -11.894 6.068 3.075 1.00 0.00 H new ATOM 0 HA CYS A 53 -12.410 8.850 2.248 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -10.880 7.689 0.254 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -10.247 8.680 1.554 1.00 0.00 H new ATOM 830 N GLY A 54 -14.305 6.718 1.362 1.00 0.00 N ATOM 831 CA GLY A 54 -15.355 6.317 0.433 1.00 0.00 C ATOM 832 C GLY A 54 -16.623 7.130 0.603 1.00 0.00 C ATOM 833 O GLY A 54 -17.037 7.838 -0.319 1.00 0.00 O ATOM 0 H GLY A 54 -14.459 6.439 2.331 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -14.992 6.426 -0.589 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.582 5.261 0.580 1.00 0.00 H new