USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 403 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 10 TYR OH : rot 30:sc= -0.767 USER MOD Single : A 11 THR OG1 : rot -62:sc= 1.29 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot -34:sc= 0.0038 USER MOD Single : A 24 ASN : amide:sc= -3.45! C(o=-3.4!,f=-20!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.5!) USER MOD Single : A 32 THR OG1 : rot -91:sc= 0.178 USER MOD Single : A 35 TYR OH : rot -179:sc= -6.43! USER MOD Single : A 41 LYS NZ :NH3+ -143:sc= -0.117 (180deg=-1.03) USER MOD Single : A 43 ASN : amide:sc= -4.18! C(o=-4.2!,f=-10!) USER MOD Single : A 44 ASN : amide:sc= -10.4! C(o=-10!,f=-23!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 170:sc= -1.06 USER MOD Single : A 52 MET CE :methyl 150:sc= -1.07 (180deg=-1.41) USER MOD Single : A 54 THR OG1 : rot 95:sc= 0.376 USER MOD ----------------------------------------------------------------- ATOM 53 N PHE A 4 6.182 -8.030 2.713 1.00 0.00 N ATOM 54 CA PHE A 4 4.908 -7.491 2.150 1.00 0.00 C ATOM 55 C PHE A 4 5.163 -6.193 1.389 1.00 0.00 C ATOM 56 O PHE A 4 4.387 -5.801 0.543 1.00 0.00 O ATOM 57 CB PHE A 4 3.964 -7.265 3.333 1.00 0.00 C ATOM 58 CG PHE A 4 4.465 -6.166 4.250 1.00 0.00 C ATOM 59 CD1 PHE A 4 4.527 -4.830 3.812 1.00 0.00 C ATOM 60 CD2 PHE A 4 4.847 -6.487 5.556 1.00 0.00 C ATOM 61 CE1 PHE A 4 4.978 -3.832 4.683 1.00 0.00 C ATOM 62 CE2 PHE A 4 5.297 -5.486 6.423 1.00 0.00 C ATOM 63 CZ PHE A 4 5.365 -4.160 5.987 1.00 0.00 C ATOM 0 HA PHE A 4 4.467 -8.188 1.438 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.972 -7.006 2.962 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.861 -8.191 3.898 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.227 -4.576 2.806 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.794 -7.511 5.896 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.027 -2.806 4.348 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.592 -5.738 7.431 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.716 -3.389 6.656 1.00 0.00 H new ATOM 73 N CYS A 5 6.246 -5.529 1.668 1.00 0.00 N ATOM 74 CA CYS A 5 6.538 -4.267 0.937 1.00 0.00 C ATOM 75 C CYS A 5 6.852 -4.586 -0.525 1.00 0.00 C ATOM 76 O CYS A 5 6.543 -3.825 -1.421 1.00 0.00 O ATOM 77 CB CYS A 5 7.757 -3.673 1.640 1.00 0.00 C ATOM 78 SG CYS A 5 7.204 -2.655 3.027 1.00 0.00 S ATOM 0 H CYS A 5 6.938 -5.802 2.366 1.00 0.00 H new ATOM 0 HA CYS A 5 5.698 -3.572 0.942 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.411 -4.469 1.996 1.00 0.00 H new ATOM 0 HB3 CYS A 5 8.338 -3.072 0.941 1.00 0.00 H new ATOM 83 N LEU A 6 7.453 -5.718 -0.771 1.00 0.00 N ATOM 84 CA LEU A 6 7.786 -6.102 -2.172 1.00 0.00 C ATOM 85 C LEU A 6 6.576 -6.767 -2.829 1.00 0.00 C ATOM 86 O LEU A 6 6.537 -6.968 -4.028 1.00 0.00 O ATOM 87 CB LEU A 6 8.941 -7.100 -2.051 1.00 0.00 C ATOM 88 CG LEU A 6 9.994 -6.565 -1.077 1.00 0.00 C ATOM 89 CD1 LEU A 6 10.814 -7.731 -0.523 1.00 0.00 C ATOM 90 CD2 LEU A 6 10.920 -5.594 -1.810 1.00 0.00 C ATOM 0 H LEU A 6 7.728 -6.395 -0.060 1.00 0.00 H new ATOM 0 HA LEU A 6 8.056 -5.241 -2.784 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.566 -8.062 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.391 -7.269 -3.029 1.00 0.00 H new ATOM 0 HG LEU A 6 9.499 -6.046 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.564 -7.351 0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.154 -8.424 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.309 -8.250 -1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 6 11.670 -5.213 -1.117 1.00 0.00 H new ATOM 0 HD22 LEU A 6 11.415 -6.113 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 6 10.336 -4.763 -2.206 1.00 0.00 H new ATOM 102 N GLU A 7 5.589 -7.110 -2.051 1.00 0.00 N ATOM 103 CA GLU A 7 4.378 -7.764 -2.625 1.00 0.00 C ATOM 104 C GLU A 7 3.451 -6.713 -3.240 1.00 0.00 C ATOM 105 O GLU A 7 3.628 -5.529 -3.034 1.00 0.00 O ATOM 106 CB GLU A 7 3.702 -8.453 -1.441 1.00 0.00 C ATOM 107 CG GLU A 7 4.091 -9.933 -1.422 1.00 0.00 C ATOM 108 CD GLU A 7 3.584 -10.577 -0.132 1.00 0.00 C ATOM 109 OE1 GLU A 7 2.792 -9.945 0.550 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.995 -11.689 0.154 1.00 0.00 O ATOM 0 H GLU A 7 5.567 -6.966 -1.041 1.00 0.00 H new ATOM 0 HA GLU A 7 4.625 -8.470 -3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.002 -7.975 -0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.619 -8.351 -1.517 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.666 -10.443 -2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.174 -10.036 -1.491 1.00 0.00 H new ATOM 117 N PRO A 8 2.485 -7.188 -3.981 1.00 0.00 N ATOM 118 CA PRO A 8 1.514 -6.281 -4.640 1.00 0.00 C ATOM 119 C PRO A 8 0.547 -5.695 -3.608 1.00 0.00 C ATOM 120 O PRO A 8 0.372 -6.244 -2.539 1.00 0.00 O ATOM 121 CB PRO A 8 0.777 -7.197 -5.616 1.00 0.00 C ATOM 122 CG PRO A 8 0.914 -8.569 -5.039 1.00 0.00 C ATOM 123 CD PRO A 8 2.209 -8.599 -4.269 1.00 0.00 C ATOM 0 HA PRO A 8 1.986 -5.431 -5.133 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.271 -6.912 -5.710 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.213 -7.143 -6.613 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.072 -8.798 -4.386 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.918 -9.320 -5.829 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.115 -9.182 -3.353 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.010 -9.051 -4.854 1.00 0.00 H new ATOM 131 N PRO A 9 -0.055 -4.597 -3.971 1.00 0.00 N ATOM 132 CA PRO A 9 -1.021 -3.924 -3.068 1.00 0.00 C ATOM 133 C PRO A 9 -2.307 -4.749 -2.954 1.00 0.00 C ATOM 134 O PRO A 9 -2.474 -5.748 -3.624 1.00 0.00 O ATOM 135 CB PRO A 9 -1.274 -2.581 -3.747 1.00 0.00 C ATOM 136 CG PRO A 9 -0.950 -2.805 -5.190 1.00 0.00 C ATOM 137 CD PRO A 9 0.101 -3.885 -5.245 1.00 0.00 C ATOM 0 HA PRO A 9 -0.652 -3.807 -2.049 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.309 -2.264 -3.620 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.647 -1.799 -3.319 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.840 -3.105 -5.743 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.584 -1.887 -5.650 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.053 -4.549 -6.095 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.101 -3.464 -5.347 1.00 0.00 H new ATOM 145 N TYR A 10 -3.211 -4.349 -2.102 1.00 0.00 N ATOM 146 CA TYR A 10 -4.480 -5.121 -1.941 1.00 0.00 C ATOM 147 C TYR A 10 -5.687 -4.238 -2.227 1.00 0.00 C ATOM 148 O TYR A 10 -6.203 -3.567 -1.356 1.00 0.00 O ATOM 149 CB TYR A 10 -4.483 -5.575 -0.480 1.00 0.00 C ATOM 150 CG TYR A 10 -5.758 -6.331 -0.185 1.00 0.00 C ATOM 151 CD1 TYR A 10 -5.862 -7.685 -0.523 1.00 0.00 C ATOM 152 CD2 TYR A 10 -6.836 -5.677 0.424 1.00 0.00 C ATOM 153 CE1 TYR A 10 -7.044 -8.386 -0.252 1.00 0.00 C ATOM 154 CE2 TYR A 10 -8.018 -6.378 0.695 1.00 0.00 C ATOM 155 CZ TYR A 10 -8.121 -7.733 0.356 1.00 0.00 C ATOM 156 OH TYR A 10 -9.285 -8.425 0.624 1.00 0.00 O ATOM 0 H TYR A 10 -3.128 -3.522 -1.510 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.537 -5.961 -2.633 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.619 -6.210 -0.284 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.400 -4.711 0.180 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.031 -8.190 -0.993 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.756 -4.632 0.685 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.124 -9.431 -0.513 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.849 -5.874 1.165 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.074 -9.368 0.790 1.00 0.00 H new ATOM 166 N THR A 11 -6.157 -4.260 -3.440 1.00 0.00 N ATOM 167 CA THR A 11 -7.349 -3.448 -3.785 1.00 0.00 C ATOM 168 C THR A 11 -8.535 -3.976 -2.980 1.00 0.00 C ATOM 169 O THR A 11 -9.501 -3.281 -2.739 1.00 0.00 O ATOM 170 CB THR A 11 -7.555 -3.657 -5.289 1.00 0.00 C ATOM 171 OG1 THR A 11 -6.723 -2.755 -6.005 1.00 0.00 O ATOM 172 CG2 THR A 11 -9.016 -3.397 -5.657 1.00 0.00 C ATOM 0 H THR A 11 -5.766 -4.806 -4.207 1.00 0.00 H new ATOM 0 HA THR A 11 -7.239 -2.388 -3.557 1.00 0.00 H new ATOM 0 HB THR A 11 -7.298 -4.684 -5.547 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.977 -1.834 -5.789 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.154 -3.548 -6.728 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.658 -4.086 -5.108 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.279 -2.372 -5.398 1.00 0.00 H new ATOM 180 N GLY A 12 -8.457 -5.211 -2.561 1.00 0.00 N ATOM 181 CA GLY A 12 -9.571 -5.803 -1.763 1.00 0.00 C ATOM 182 C GLY A 12 -10.843 -5.874 -2.612 1.00 0.00 C ATOM 183 O GLY A 12 -11.074 -5.035 -3.461 1.00 0.00 O ATOM 0 H GLY A 12 -7.670 -5.836 -2.737 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.295 -6.801 -1.422 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.751 -5.201 -0.872 1.00 0.00 H new ATOM 187 N PRO A 13 -11.628 -6.885 -2.347 1.00 0.00 N ATOM 188 CA PRO A 13 -12.897 -7.082 -3.087 1.00 0.00 C ATOM 189 C PRO A 13 -13.972 -6.114 -2.581 1.00 0.00 C ATOM 190 O PRO A 13 -14.809 -6.467 -1.774 1.00 0.00 O ATOM 191 CB PRO A 13 -13.274 -8.526 -2.768 1.00 0.00 C ATOM 192 CG PRO A 13 -12.606 -8.831 -1.463 1.00 0.00 C ATOM 193 CD PRO A 13 -11.405 -7.928 -1.342 1.00 0.00 C ATOM 0 HA PRO A 13 -12.802 -6.895 -4.157 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -14.355 -8.643 -2.693 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -12.934 -9.203 -3.551 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -13.294 -8.666 -0.633 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -12.304 -9.877 -1.423 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -11.326 -7.504 -0.341 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.479 -8.471 -1.532 1.00 0.00 H new ATOM 201 N CYS A 14 -13.957 -4.896 -3.052 1.00 0.00 N ATOM 202 CA CYS A 14 -14.978 -3.908 -2.598 1.00 0.00 C ATOM 203 C CYS A 14 -15.356 -2.974 -3.753 1.00 0.00 C ATOM 204 O CYS A 14 -14.711 -2.953 -4.783 1.00 0.00 O ATOM 205 CB CYS A 14 -14.302 -3.125 -1.473 1.00 0.00 C ATOM 206 SG CYS A 14 -14.745 -3.858 0.123 1.00 0.00 S ATOM 0 H CYS A 14 -13.283 -4.543 -3.731 1.00 0.00 H new ATOM 0 HA CYS A 14 -15.897 -4.388 -2.262 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.220 -3.140 -1.604 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.613 -2.081 -1.505 1.00 0.00 H new ATOM 211 N LYS A 15 -16.397 -2.203 -3.590 1.00 0.00 N ATOM 212 CA LYS A 15 -16.811 -1.272 -4.680 1.00 0.00 C ATOM 213 C LYS A 15 -16.200 0.112 -4.450 1.00 0.00 C ATOM 214 O LYS A 15 -16.460 1.047 -5.182 1.00 0.00 O ATOM 215 CB LYS A 15 -18.336 -1.206 -4.588 1.00 0.00 C ATOM 216 CG LYS A 15 -18.905 -2.623 -4.510 1.00 0.00 C ATOM 217 CD LYS A 15 -18.708 -3.325 -5.855 1.00 0.00 C ATOM 218 CE LYS A 15 -19.316 -4.728 -5.792 1.00 0.00 C ATOM 219 NZ LYS A 15 -18.194 -5.610 -5.369 1.00 0.00 N ATOM 0 H LYS A 15 -16.978 -2.177 -2.752 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.477 -1.609 -5.661 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.633 -0.635 -3.709 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.741 -0.688 -5.457 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -18.407 -3.183 -3.719 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -19.965 -2.588 -4.258 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -19.179 -2.748 -6.651 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -17.646 -3.388 -6.093 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -20.142 -4.770 -5.081 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -19.714 -5.031 -6.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.530 -6.592 -5.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.426 -5.554 -6.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.841 -5.301 -4.441 1.00 0.00 H new ATOM 233 N ALA A 16 -15.389 0.250 -3.438 1.00 0.00 N ATOM 234 CA ALA A 16 -14.762 1.573 -3.160 1.00 0.00 C ATOM 235 C ALA A 16 -13.433 1.695 -3.910 1.00 0.00 C ATOM 236 O ALA A 16 -12.871 0.715 -4.360 1.00 0.00 O ATOM 237 CB ALA A 16 -14.530 1.591 -1.649 1.00 0.00 C ATOM 0 H ALA A 16 -15.133 -0.496 -2.791 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.387 2.404 -3.486 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -14.069 2.536 -1.363 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.484 1.482 -1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.871 0.768 -1.372 1.00 0.00 H new ATOM 243 N ARG A 17 -12.926 2.889 -4.048 1.00 0.00 N ATOM 244 CA ARG A 17 -11.634 3.070 -4.771 1.00 0.00 C ATOM 245 C ARG A 17 -10.802 4.164 -4.100 1.00 0.00 C ATOM 246 O ARG A 17 -10.677 5.261 -4.607 1.00 0.00 O ATOM 247 CB ARG A 17 -12.024 3.490 -6.190 1.00 0.00 C ATOM 248 CG ARG A 17 -13.190 2.630 -6.680 1.00 0.00 C ATOM 249 CD ARG A 17 -13.164 2.557 -8.208 1.00 0.00 C ATOM 250 NE ARG A 17 -11.926 1.798 -8.532 1.00 0.00 N ATOM 251 CZ ARG A 17 -11.628 1.539 -9.776 1.00 0.00 C ATOM 252 NH1 ARG A 17 -12.211 0.547 -10.391 1.00 0.00 N ATOM 253 NH2 ARG A 17 -10.750 2.272 -10.402 1.00 0.00 N ATOM 0 H ARG A 17 -13.349 3.746 -3.692 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.031 2.162 -4.767 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.305 4.543 -6.204 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -11.171 3.379 -6.860 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.120 1.628 -6.256 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.136 3.054 -6.342 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.050 2.053 -8.595 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.145 3.553 -8.651 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.311 1.480 -7.783 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.898 -0.024 -9.900 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.980 0.343 -11.363 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.296 3.048 -9.919 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.517 2.070 -11.374 1.00 0.00 H new ATOM 267 N ILE A 18 -10.231 3.876 -2.963 1.00 0.00 N ATOM 268 CA ILE A 18 -9.407 4.902 -2.263 1.00 0.00 C ATOM 269 C ILE A 18 -7.964 4.858 -2.772 1.00 0.00 C ATOM 270 O ILE A 18 -7.499 3.850 -3.266 1.00 0.00 O ATOM 271 CB ILE A 18 -9.467 4.519 -0.785 1.00 0.00 C ATOM 272 CG1 ILE A 18 -10.924 4.520 -0.318 1.00 0.00 C ATOM 273 CG2 ILE A 18 -8.669 5.533 0.038 1.00 0.00 C ATOM 274 CD1 ILE A 18 -10.982 4.201 1.178 1.00 0.00 C ATOM 0 H ILE A 18 -10.299 2.976 -2.489 1.00 0.00 H new ATOM 0 HA ILE A 18 -9.774 5.914 -2.436 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.041 3.525 -0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -11.378 5.492 -0.511 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.497 3.783 -0.880 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.712 5.260 1.092 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.631 5.535 -0.295 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.095 6.527 -0.097 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.020 4.202 1.510 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.544 3.219 1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.423 4.955 1.733 1.00 0.00 H new ATOM 286 N ILE A 19 -7.251 5.945 -2.652 1.00 0.00 N ATOM 287 CA ILE A 19 -5.838 5.966 -3.126 1.00 0.00 C ATOM 288 C ILE A 19 -4.888 5.728 -1.950 1.00 0.00 C ATOM 289 O ILE A 19 -4.427 6.655 -1.314 1.00 0.00 O ATOM 290 CB ILE A 19 -5.639 7.366 -3.706 1.00 0.00 C ATOM 291 CG1 ILE A 19 -6.450 7.503 -4.997 1.00 0.00 C ATOM 292 CG2 ILE A 19 -4.156 7.594 -4.011 1.00 0.00 C ATOM 293 CD1 ILE A 19 -5.945 6.493 -6.031 1.00 0.00 C ATOM 0 H ILE A 19 -7.586 6.819 -2.246 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.633 5.189 -3.862 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.976 8.107 -2.981 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.507 7.333 -4.794 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.360 8.516 -5.389 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.019 8.593 -4.424 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.577 7.499 -3.093 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.815 6.853 -4.734 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.524 6.592 -6.949 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.893 6.684 -6.243 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.058 5.483 -5.638 1.00 0.00 H new ATOM 305 N ARG A 20 -4.595 4.492 -1.655 1.00 0.00 N ATOM 306 CA ARG A 20 -3.677 4.198 -0.517 1.00 0.00 C ATOM 307 C ARG A 20 -2.230 4.121 -1.013 1.00 0.00 C ATOM 308 O ARG A 20 -1.960 4.250 -2.189 1.00 0.00 O ATOM 309 CB ARG A 20 -4.137 2.844 0.023 1.00 0.00 C ATOM 310 CG ARG A 20 -5.377 3.042 0.896 1.00 0.00 C ATOM 311 CD ARG A 20 -5.040 3.980 2.057 1.00 0.00 C ATOM 312 NE ARG A 20 -5.724 5.261 1.727 1.00 0.00 N ATOM 313 CZ ARG A 20 -6.811 5.602 2.366 1.00 0.00 C ATOM 314 NH1 ARG A 20 -7.560 4.685 2.914 1.00 0.00 N ATOM 315 NH2 ARG A 20 -7.148 6.859 2.455 1.00 0.00 N ATOM 0 H ARG A 20 -4.950 3.674 -2.151 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.707 4.971 0.251 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.363 2.169 -0.802 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.339 2.381 0.604 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.190 3.459 0.302 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.722 2.082 1.279 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.394 3.577 3.006 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -3.963 4.120 2.152 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.344 5.871 1.003 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.297 3.702 2.843 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.409 4.951 3.413 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -6.563 7.576 2.026 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.997 7.125 2.954 1.00 0.00 H new ATOM 329 N TYR A 21 -1.298 3.917 -0.124 1.00 0.00 N ATOM 330 CA TYR A 21 0.130 3.840 -0.546 1.00 0.00 C ATOM 331 C TYR A 21 0.682 2.427 -0.350 1.00 0.00 C ATOM 332 O TYR A 21 0.341 1.740 0.593 1.00 0.00 O ATOM 333 CB TYR A 21 0.875 4.809 0.374 1.00 0.00 C ATOM 334 CG TYR A 21 0.732 6.224 -0.130 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.347 7.009 0.288 1.00 0.00 C ATOM 336 CD2 TYR A 21 1.689 6.754 -1.003 1.00 0.00 C ATOM 337 CE1 TYR A 21 -0.469 8.328 -0.166 1.00 0.00 C ATOM 338 CE2 TYR A 21 1.565 8.071 -1.461 1.00 0.00 C ATOM 339 CZ TYR A 21 0.487 8.858 -1.041 1.00 0.00 C ATOM 340 OH TYR A 21 0.367 10.158 -1.489 1.00 0.00 O ATOM 0 H TYR A 21 -1.462 3.800 0.876 1.00 0.00 H new ATOM 0 HA TYR A 21 0.244 4.089 -1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.480 4.735 1.387 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.930 4.538 0.422 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.086 6.598 0.960 1.00 0.00 H new ATOM 0 HD2 TYR A 21 2.523 6.147 -1.323 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.300 8.936 0.159 1.00 0.00 H new ATOM 0 HE2 TYR A 21 2.301 8.479 -2.138 1.00 0.00 H new ATOM 0 HH TYR A 21 1.114 10.368 -2.088 1.00 0.00 H new ATOM 350 N PHE A 22 1.555 2.007 -1.222 1.00 0.00 N ATOM 351 CA PHE A 22 2.166 0.655 -1.084 1.00 0.00 C ATOM 352 C PHE A 22 3.616 0.705 -1.562 1.00 0.00 C ATOM 353 O PHE A 22 3.996 1.568 -2.328 1.00 0.00 O ATOM 354 CB PHE A 22 1.320 -0.277 -1.954 1.00 0.00 C ATOM 355 CG PHE A 22 1.722 -0.165 -3.407 1.00 0.00 C ATOM 356 CD1 PHE A 22 1.136 0.809 -4.226 1.00 0.00 C ATOM 357 CD2 PHE A 22 2.673 -1.047 -3.939 1.00 0.00 C ATOM 358 CE1 PHE A 22 1.501 0.903 -5.575 1.00 0.00 C ATOM 359 CE2 PHE A 22 3.037 -0.954 -5.289 1.00 0.00 C ATOM 360 CZ PHE A 22 2.452 0.022 -6.106 1.00 0.00 C ATOM 0 H PHE A 22 1.873 2.544 -2.028 1.00 0.00 H new ATOM 0 HA PHE A 22 2.181 0.304 -0.052 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.441 -1.306 -1.617 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.265 -0.027 -1.843 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.402 1.488 -3.817 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.125 -1.798 -3.308 1.00 0.00 H new ATOM 0 HE1 PHE A 22 1.049 1.654 -6.206 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.768 -1.635 -5.699 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.734 0.095 -7.146 1.00 0.00 H new ATOM 370 N TYR A 23 4.428 -0.198 -1.109 1.00 0.00 N ATOM 371 CA TYR A 23 5.862 -0.178 -1.526 1.00 0.00 C ATOM 372 C TYR A 23 6.054 -0.909 -2.859 1.00 0.00 C ATOM 373 O TYR A 23 6.026 -2.121 -2.920 1.00 0.00 O ATOM 374 CB TYR A 23 6.619 -0.906 -0.417 1.00 0.00 C ATOM 375 CG TYR A 23 8.098 -0.786 -0.688 1.00 0.00 C ATOM 376 CD1 TYR A 23 8.718 0.468 -0.622 1.00 0.00 C ATOM 377 CD2 TYR A 23 8.846 -1.918 -1.029 1.00 0.00 C ATOM 378 CE1 TYR A 23 10.085 0.588 -0.894 1.00 0.00 C ATOM 379 CE2 TYR A 23 10.214 -1.798 -1.304 1.00 0.00 C ATOM 380 CZ TYR A 23 10.833 -0.545 -1.236 1.00 0.00 C ATOM 381 OH TYR A 23 12.182 -0.425 -1.506 1.00 0.00 O ATOM 0 H TYR A 23 4.169 -0.950 -0.470 1.00 0.00 H new ATOM 0 HA TYR A 23 6.220 0.842 -1.669 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.376 -0.474 0.554 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.324 -1.955 -0.383 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.141 1.343 -0.361 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.368 -2.885 -1.080 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.563 1.555 -0.840 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.791 -2.672 -1.568 1.00 0.00 H new ATOM 0 HH TYR A 23 12.353 0.437 -1.940 1.00 0.00 H new ATOM 391 N ASN A 24 6.274 -0.185 -3.923 1.00 0.00 N ATOM 392 CA ASN A 24 6.491 -0.849 -5.238 1.00 0.00 C ATOM 393 C ASN A 24 7.941 -1.320 -5.337 1.00 0.00 C ATOM 394 O ASN A 24 8.798 -0.610 -5.820 1.00 0.00 O ATOM 395 CB ASN A 24 6.213 0.229 -6.285 1.00 0.00 C ATOM 396 CG ASN A 24 6.354 -0.371 -7.686 1.00 0.00 C ATOM 397 OD1 ASN A 24 7.183 -1.231 -7.911 1.00 0.00 O ATOM 398 ND2 ASN A 24 5.571 0.047 -8.644 1.00 0.00 N ATOM 0 H ASN A 24 6.313 0.834 -3.938 1.00 0.00 H new ATOM 0 HA ASN A 24 5.849 -1.719 -5.376 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.209 0.632 -6.150 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.909 1.059 -6.162 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.655 -0.348 -9.581 1.00 0.00 H new ATOM 0 HD22 ASN A 24 4.875 0.769 -8.456 1.00 0.00 H new ATOM 405 N ALA A 25 8.230 -2.504 -4.877 1.00 0.00 N ATOM 406 CA ALA A 25 9.633 -2.996 -4.950 1.00 0.00 C ATOM 407 C ALA A 25 10.216 -2.694 -6.330 1.00 0.00 C ATOM 408 O ALA A 25 11.409 -2.524 -6.490 1.00 0.00 O ATOM 409 CB ALA A 25 9.541 -4.504 -4.719 1.00 0.00 C ATOM 0 H ALA A 25 7.561 -3.149 -4.456 1.00 0.00 H new ATOM 0 HA ALA A 25 10.282 -2.517 -4.216 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.539 -4.940 -4.758 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.100 -4.696 -3.741 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.918 -4.953 -5.493 1.00 0.00 H new ATOM 415 N LYS A 26 9.380 -2.613 -7.328 1.00 0.00 N ATOM 416 CA LYS A 26 9.882 -2.310 -8.698 1.00 0.00 C ATOM 417 C LYS A 26 10.238 -0.826 -8.805 1.00 0.00 C ATOM 418 O LYS A 26 11.050 -0.429 -9.617 1.00 0.00 O ATOM 419 CB LYS A 26 8.721 -2.657 -9.629 1.00 0.00 C ATOM 420 CG LYS A 26 9.250 -3.423 -10.841 1.00 0.00 C ATOM 421 CD LYS A 26 8.532 -2.940 -12.103 1.00 0.00 C ATOM 422 CE LYS A 26 8.154 -4.145 -12.967 1.00 0.00 C ATOM 423 NZ LYS A 26 7.434 -3.568 -14.136 1.00 0.00 N ATOM 0 H LYS A 26 8.371 -2.743 -7.254 1.00 0.00 H new ATOM 0 HA LYS A 26 10.782 -2.872 -8.948 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.983 -3.259 -9.099 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.216 -1.747 -9.953 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.325 -3.270 -10.940 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.091 -4.493 -10.706 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.638 -2.378 -11.833 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.176 -2.264 -12.665 1.00 0.00 H new ATOM 0 HE2 LYS A 26 9.039 -4.698 -13.282 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.521 -4.842 -12.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.142 -4.334 -14.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 6.593 -3.053 -13.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.064 -2.914 -14.643 1.00 0.00 H new ATOM 437 N ALA A 27 9.641 -0.002 -7.986 1.00 0.00 N ATOM 438 CA ALA A 27 9.948 1.456 -8.038 1.00 0.00 C ATOM 439 C ALA A 27 11.009 1.809 -6.992 1.00 0.00 C ATOM 440 O ALA A 27 11.635 2.848 -7.055 1.00 0.00 O ATOM 441 CB ALA A 27 8.625 2.150 -7.717 1.00 0.00 C ATOM 0 H ALA A 27 8.954 -0.276 -7.283 1.00 0.00 H new ATOM 0 HA ALA A 27 10.343 1.762 -9.007 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.767 3.231 -7.735 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.878 1.870 -8.459 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.285 1.846 -6.727 1.00 0.00 H new ATOM 447 N GLY A 28 11.215 0.952 -6.029 1.00 0.00 N ATOM 448 CA GLY A 28 12.235 1.242 -4.979 1.00 0.00 C ATOM 449 C GLY A 28 11.635 2.178 -3.928 1.00 0.00 C ATOM 450 O GLY A 28 12.290 2.563 -2.980 1.00 0.00 O ATOM 0 H GLY A 28 10.723 0.065 -5.923 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.563 0.314 -4.510 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.115 1.700 -5.429 1.00 0.00 H new ATOM 454 N LEU A 29 10.393 2.545 -4.087 1.00 0.00 N ATOM 455 CA LEU A 29 9.747 3.451 -3.104 1.00 0.00 C ATOM 456 C LEU A 29 8.282 3.055 -2.930 1.00 0.00 C ATOM 457 O LEU A 29 7.929 1.894 -3.015 1.00 0.00 O ATOM 458 CB LEU A 29 9.854 4.845 -3.722 1.00 0.00 C ATOM 459 CG LEU A 29 9.055 4.886 -5.026 1.00 0.00 C ATOM 460 CD1 LEU A 29 8.114 6.092 -5.011 1.00 0.00 C ATOM 461 CD2 LEU A 29 10.017 5.008 -6.211 1.00 0.00 C ATOM 0 H LEU A 29 9.797 2.253 -4.861 1.00 0.00 H new ATOM 0 HA LEU A 29 10.216 3.407 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.474 5.593 -3.026 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.898 5.090 -3.915 1.00 0.00 H new ATOM 0 HG LEU A 29 8.472 3.970 -5.122 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.545 6.121 -5.940 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.428 6.008 -4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.697 7.008 -4.914 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.448 5.037 -7.140 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.600 5.924 -6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.689 4.150 -6.224 1.00 0.00 H new ATOM 473 N CYS A 30 7.429 4.008 -2.701 1.00 0.00 N ATOM 474 CA CYS A 30 5.985 3.688 -2.529 1.00 0.00 C ATOM 475 C CYS A 30 5.152 4.421 -3.579 1.00 0.00 C ATOM 476 O CYS A 30 5.474 5.517 -3.995 1.00 0.00 O ATOM 477 CB CYS A 30 5.623 4.184 -1.129 1.00 0.00 C ATOM 478 SG CYS A 30 6.552 3.246 0.109 1.00 0.00 S ATOM 0 H CYS A 30 7.667 4.997 -2.625 1.00 0.00 H new ATOM 0 HA CYS A 30 5.789 2.622 -2.647 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.849 5.247 -1.039 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.553 4.070 -0.958 1.00 0.00 H new ATOM 483 N GLN A 31 4.077 3.823 -4.001 1.00 0.00 N ATOM 484 CA GLN A 31 3.206 4.474 -5.015 1.00 0.00 C ATOM 485 C GLN A 31 1.746 4.328 -4.594 1.00 0.00 C ATOM 486 O GLN A 31 1.405 3.475 -3.798 1.00 0.00 O ATOM 487 CB GLN A 31 3.474 3.721 -6.318 1.00 0.00 C ATOM 488 CG GLN A 31 4.759 4.253 -6.956 1.00 0.00 C ATOM 489 CD GLN A 31 4.654 4.156 -8.479 1.00 0.00 C ATOM 490 OE1 GLN A 31 3.592 4.344 -9.040 1.00 0.00 O ATOM 491 NE2 GLN A 31 5.719 3.869 -9.175 1.00 0.00 N ATOM 0 H GLN A 31 3.762 2.906 -3.686 1.00 0.00 H new ATOM 0 HA GLN A 31 3.409 5.539 -5.124 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.567 2.653 -6.121 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.635 3.847 -7.003 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.923 5.289 -6.658 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.616 3.680 -6.603 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.609 3.712 -8.703 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.661 3.802 -10.191 1.00 0.00 H new ATOM 500 N THR A 32 0.880 5.153 -5.105 1.00 0.00 N ATOM 501 CA THR A 32 -0.550 5.044 -4.710 1.00 0.00 C ATOM 502 C THR A 32 -1.233 3.924 -5.493 1.00 0.00 C ATOM 503 O THR A 32 -0.958 3.703 -6.656 1.00 0.00 O ATOM 504 CB THR A 32 -1.162 6.399 -5.063 1.00 0.00 C ATOM 505 OG1 THR A 32 -0.359 7.038 -6.045 1.00 0.00 O ATOM 506 CG2 THR A 32 -1.231 7.273 -3.811 1.00 0.00 C ATOM 0 H THR A 32 1.096 5.892 -5.773 1.00 0.00 H new ATOM 0 HA THR A 32 -0.669 4.806 -3.653 1.00 0.00 H new ATOM 0 HB THR A 32 -2.168 6.251 -5.455 1.00 0.00 H new ATOM 0 HG1 THR A 32 0.313 7.598 -5.604 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.668 8.239 -4.065 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.848 6.782 -3.058 1.00 0.00 H new ATOM 0 HG23 THR A 32 -0.226 7.422 -3.415 1.00 0.00 H new ATOM 514 N PHE A 33 -2.135 3.224 -4.863 1.00 0.00 N ATOM 515 CA PHE A 33 -2.856 2.124 -5.567 1.00 0.00 C ATOM 516 C PHE A 33 -4.338 2.156 -5.193 1.00 0.00 C ATOM 517 O PHE A 33 -4.732 2.770 -4.221 1.00 0.00 O ATOM 518 CB PHE A 33 -2.192 0.823 -5.104 1.00 0.00 C ATOM 519 CG PHE A 33 -2.678 0.430 -3.726 1.00 0.00 C ATOM 520 CD1 PHE A 33 -2.048 0.943 -2.583 1.00 0.00 C ATOM 521 CD2 PHE A 33 -3.752 -0.460 -3.591 1.00 0.00 C ATOM 522 CE1 PHE A 33 -2.493 0.568 -1.311 1.00 0.00 C ATOM 523 CE2 PHE A 33 -4.197 -0.835 -2.317 1.00 0.00 C ATOM 524 CZ PHE A 33 -3.567 -0.321 -1.176 1.00 0.00 C ATOM 0 H PHE A 33 -2.405 3.366 -3.890 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.800 2.221 -6.651 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.412 0.025 -5.813 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.109 0.947 -5.090 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.219 1.628 -2.685 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.237 -0.857 -4.470 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.008 0.965 -0.431 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.025 -1.520 -2.214 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.909 -0.610 -0.193 1.00 0.00 H new ATOM 534 N VAL A 34 -5.163 1.520 -5.972 1.00 0.00 N ATOM 535 CA VAL A 34 -6.625 1.528 -5.680 1.00 0.00 C ATOM 536 C VAL A 34 -6.946 0.607 -4.500 1.00 0.00 C ATOM 537 O VAL A 34 -6.858 -0.600 -4.598 1.00 0.00 O ATOM 538 CB VAL A 34 -7.282 1.014 -6.961 1.00 0.00 C ATOM 539 CG1 VAL A 34 -8.793 1.244 -6.892 1.00 0.00 C ATOM 540 CG2 VAL A 34 -6.707 1.768 -8.163 1.00 0.00 C ATOM 0 H VAL A 34 -4.890 0.993 -6.801 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.984 2.519 -5.403 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.083 -0.052 -7.068 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.259 0.877 -7.806 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.204 0.709 -6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.994 2.310 -6.785 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.174 1.404 -9.078 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.907 2.834 -8.053 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.631 1.604 -8.214 1.00 0.00 H new ATOM 550 N TYR A 35 -7.321 1.173 -3.384 1.00 0.00 N ATOM 551 CA TYR A 35 -7.651 0.340 -2.190 1.00 0.00 C ATOM 552 C TYR A 35 -9.150 0.007 -2.178 1.00 0.00 C ATOM 553 O TYR A 35 -9.963 0.756 -2.679 1.00 0.00 O ATOM 554 CB TYR A 35 -7.283 1.218 -0.994 1.00 0.00 C ATOM 555 CG TYR A 35 -7.675 0.522 0.286 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.468 -0.855 0.424 1.00 0.00 C ATOM 557 CD2 TYR A 35 -8.244 1.253 1.337 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.829 -1.502 1.612 1.00 0.00 C ATOM 559 CE2 TYR A 35 -8.604 0.606 2.525 1.00 0.00 C ATOM 560 CZ TYR A 35 -8.397 -0.772 2.662 1.00 0.00 C ATOM 561 OH TYR A 35 -8.751 -1.409 3.833 1.00 0.00 O ATOM 0 H TYR A 35 -7.413 2.180 -3.247 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.117 -0.610 -2.180 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.212 1.422 -0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.790 2.180 -1.067 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.030 -1.419 -0.386 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.405 2.316 1.231 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.669 -2.565 1.718 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -9.041 1.170 3.336 1.00 0.00 H new ATOM 0 HH TYR A 35 -9.145 -0.760 4.452 1.00 0.00 H new ATOM 571 N GLY A 36 -9.519 -1.115 -1.619 1.00 0.00 N ATOM 572 CA GLY A 36 -10.963 -1.494 -1.589 1.00 0.00 C ATOM 573 C GLY A 36 -11.650 -0.854 -0.379 1.00 0.00 C ATOM 574 O GLY A 36 -12.848 -0.968 -0.207 1.00 0.00 O ATOM 0 H GLY A 36 -8.885 -1.784 -1.183 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.451 -1.170 -2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.061 -2.579 -1.541 1.00 0.00 H new ATOM 578 N ALA A 37 -10.906 -0.185 0.464 1.00 0.00 N ATOM 579 CA ALA A 37 -11.528 0.455 1.666 1.00 0.00 C ATOM 580 C ALA A 37 -11.969 -0.616 2.668 1.00 0.00 C ATOM 581 O ALA A 37 -12.614 -0.325 3.656 1.00 0.00 O ATOM 582 CB ALA A 37 -12.742 1.222 1.137 1.00 0.00 C ATOM 0 H ALA A 37 -9.898 -0.054 0.374 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.829 1.111 2.185 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.248 1.718 1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.414 1.968 0.413 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.430 0.527 0.655 1.00 0.00 H new ATOM 588 N CYS A 38 -11.629 -1.852 2.420 1.00 0.00 N ATOM 589 CA CYS A 38 -12.030 -2.937 3.361 1.00 0.00 C ATOM 590 C CYS A 38 -10.932 -4.001 3.439 1.00 0.00 C ATOM 591 O CYS A 38 -10.061 -4.072 2.594 1.00 0.00 O ATOM 592 CB CYS A 38 -13.306 -3.529 2.762 1.00 0.00 C ATOM 593 SG CYS A 38 -12.976 -4.083 1.071 1.00 0.00 S ATOM 0 H CYS A 38 -11.092 -2.157 1.608 1.00 0.00 H new ATOM 0 HA CYS A 38 -12.188 -2.567 4.374 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -13.652 -4.365 3.369 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -14.101 -2.784 2.763 1.00 0.00 H new ATOM 598 N ARG A 39 -10.968 -4.828 4.444 1.00 0.00 N ATOM 599 CA ARG A 39 -9.927 -5.887 4.575 1.00 0.00 C ATOM 600 C ARG A 39 -8.528 -5.294 4.381 1.00 0.00 C ATOM 601 O ARG A 39 -7.646 -5.928 3.836 1.00 0.00 O ATOM 602 CB ARG A 39 -10.241 -6.881 3.459 1.00 0.00 C ATOM 603 CG ARG A 39 -11.555 -7.604 3.766 1.00 0.00 C ATOM 604 CD ARG A 39 -11.617 -8.905 2.964 1.00 0.00 C ATOM 605 NE ARG A 39 -11.924 -9.960 3.969 1.00 0.00 N ATOM 606 CZ ARG A 39 -12.632 -11.002 3.625 1.00 0.00 C ATOM 607 NH1 ARG A 39 -12.840 -11.261 2.364 1.00 0.00 N ATOM 608 NH2 ARG A 39 -13.131 -11.783 4.543 1.00 0.00 N ATOM 0 H ARG A 39 -11.673 -4.818 5.181 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.937 -6.353 5.561 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.316 -6.359 2.505 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.431 -7.604 3.364 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.625 -7.817 4.833 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.402 -6.966 3.512 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.386 -8.858 2.193 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.672 -9.103 2.459 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.582 -9.869 4.925 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.450 -10.650 1.647 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -13.393 -12.075 2.095 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -12.968 -11.580 5.529 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.684 -12.597 4.275 1.00 0.00 H new ATOM 622 N ALA A 40 -8.313 -4.085 4.821 1.00 0.00 N ATOM 623 CA ALA A 40 -6.966 -3.464 4.657 1.00 0.00 C ATOM 624 C ALA A 40 -5.880 -4.436 5.129 1.00 0.00 C ATOM 625 O ALA A 40 -6.109 -5.271 5.982 1.00 0.00 O ATOM 626 CB ALA A 40 -6.994 -2.215 5.540 1.00 0.00 C ATOM 0 H ALA A 40 -9.008 -3.501 5.286 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.745 -3.220 3.618 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.035 -1.701 5.474 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.787 -1.548 5.202 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -7.179 -2.505 6.574 1.00 0.00 H new ATOM 632 N LYS A 41 -4.702 -4.340 4.577 1.00 0.00 N ATOM 633 CA LYS A 41 -3.606 -5.263 4.994 1.00 0.00 C ATOM 634 C LYS A 41 -2.327 -4.472 5.288 1.00 0.00 C ATOM 635 O LYS A 41 -2.357 -3.276 5.493 1.00 0.00 O ATOM 636 CB LYS A 41 -3.393 -6.192 3.796 1.00 0.00 C ATOM 637 CG LYS A 41 -4.715 -6.869 3.425 1.00 0.00 C ATOM 638 CD LYS A 41 -4.432 -8.113 2.578 1.00 0.00 C ATOM 639 CE LYS A 41 -5.343 -9.261 3.029 1.00 0.00 C ATOM 640 NZ LYS A 41 -4.890 -9.604 4.409 1.00 0.00 N ATOM 0 H LYS A 41 -4.450 -3.664 3.856 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.856 -5.813 5.901 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.013 -5.624 2.947 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -2.643 -6.945 4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.259 -7.147 4.328 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.348 -6.176 2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.601 -7.894 1.524 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.386 -8.404 2.679 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -6.390 -8.958 3.023 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.255 -10.118 2.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.950 -10.633 4.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.906 -9.294 4.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -5.498 -9.125 5.103 1.00 0.00 H new ATOM 654 N ARG A 42 -1.203 -5.134 5.302 1.00 0.00 N ATOM 655 CA ARG A 42 0.082 -4.427 5.574 1.00 0.00 C ATOM 656 C ARG A 42 0.540 -3.623 4.352 1.00 0.00 C ATOM 657 O ARG A 42 1.147 -2.579 4.484 1.00 0.00 O ATOM 658 CB ARG A 42 1.082 -5.539 5.895 1.00 0.00 C ATOM 659 CG ARG A 42 1.398 -6.307 4.620 1.00 0.00 C ATOM 660 CD ARG A 42 1.763 -7.747 4.984 1.00 0.00 C ATOM 661 NE ARG A 42 1.596 -8.516 3.718 1.00 0.00 N ATOM 662 CZ ARG A 42 1.652 -9.820 3.729 1.00 0.00 C ATOM 663 NH1 ARG A 42 2.667 -10.426 4.284 1.00 0.00 N ATOM 664 NH2 ARG A 42 0.693 -10.519 3.185 1.00 0.00 N ATOM 0 H ARG A 42 -1.118 -6.137 5.136 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.015 -3.710 6.390 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.994 -5.115 6.314 1.00 0.00 H new ATOM 0 HB3 ARG A 42 0.668 -6.212 6.646 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.538 -6.294 3.950 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.223 -5.832 4.089 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.786 -7.814 5.355 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.113 -8.133 5.769 1.00 0.00 H new ATOM 0 HE ARG A 42 1.437 -8.021 2.840 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.417 -9.880 4.709 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.710 -11.445 4.292 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.100 -10.046 2.751 1.00 0.00 H new ATOM 0 HH22 ARG A 42 0.737 -11.538 3.194 1.00 0.00 H new ATOM 678 N ASN A 43 0.254 -4.088 3.165 1.00 0.00 N ATOM 679 CA ASN A 43 0.677 -3.325 1.956 1.00 0.00 C ATOM 680 C ASN A 43 -0.421 -2.330 1.578 1.00 0.00 C ATOM 681 O ASN A 43 -1.082 -2.465 0.567 1.00 0.00 O ATOM 682 CB ASN A 43 0.872 -4.369 0.856 1.00 0.00 C ATOM 683 CG ASN A 43 1.806 -3.806 -0.219 1.00 0.00 C ATOM 684 OD1 ASN A 43 1.357 -3.353 -1.253 1.00 0.00 O ATOM 685 ND2 ASN A 43 3.097 -3.812 -0.016 1.00 0.00 N ATOM 0 H ASN A 43 -0.250 -4.956 2.981 1.00 0.00 H new ATOM 0 HA ASN A 43 1.592 -2.756 2.119 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.292 -5.282 1.277 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -0.089 -4.634 0.416 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.727 -3.437 -0.725 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.475 -4.192 0.852 1.00 0.00 H new ATOM 692 N ASN A 44 -0.627 -1.345 2.403 1.00 0.00 N ATOM 693 CA ASN A 44 -1.687 -0.332 2.131 1.00 0.00 C ATOM 694 C ASN A 44 -1.515 0.831 3.107 1.00 0.00 C ATOM 695 O ASN A 44 -2.251 0.969 4.064 1.00 0.00 O ATOM 696 CB ASN A 44 -3.002 -1.072 2.390 1.00 0.00 C ATOM 697 CG ASN A 44 -4.187 -0.116 2.235 1.00 0.00 C ATOM 698 OD1 ASN A 44 -4.011 1.080 2.123 1.00 0.00 O ATOM 699 ND2 ASN A 44 -5.399 -0.604 2.223 1.00 0.00 N ATOM 0 H ASN A 44 -0.102 -1.195 3.264 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.651 0.077 1.121 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.103 -1.904 1.693 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.997 -1.497 3.394 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.199 0.020 2.119 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.545 -1.609 2.317 1.00 0.00 H new ATOM 706 N PHE A 45 -0.532 1.658 2.880 1.00 0.00 N ATOM 707 CA PHE A 45 -0.291 2.803 3.804 1.00 0.00 C ATOM 708 C PHE A 45 -1.176 3.992 3.418 1.00 0.00 C ATOM 709 O PHE A 45 -1.368 4.283 2.257 1.00 0.00 O ATOM 710 CB PHE A 45 1.195 3.140 3.623 1.00 0.00 C ATOM 711 CG PHE A 45 2.010 1.860 3.609 1.00 0.00 C ATOM 712 CD1 PHE A 45 2.298 1.193 4.810 1.00 0.00 C ATOM 713 CD2 PHE A 45 2.467 1.332 2.393 1.00 0.00 C ATOM 714 CE1 PHE A 45 3.044 0.003 4.793 1.00 0.00 C ATOM 715 CE2 PHE A 45 3.209 0.141 2.376 1.00 0.00 C ATOM 716 CZ PHE A 45 3.498 -0.525 3.574 1.00 0.00 C ATOM 0 H PHE A 45 0.115 1.591 2.095 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.531 2.564 4.840 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.343 3.687 2.692 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.532 3.789 4.431 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.946 1.595 5.748 1.00 0.00 H new ATOM 0 HD2 PHE A 45 2.247 1.843 1.467 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.269 -0.506 5.719 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.558 -0.263 1.437 1.00 0.00 H new ATOM 0 HZ PHE A 45 4.068 -1.442 3.560 1.00 0.00 H new ATOM 726 N LYS A 46 -1.723 4.677 4.384 1.00 0.00 N ATOM 727 CA LYS A 46 -2.599 5.841 4.065 1.00 0.00 C ATOM 728 C LYS A 46 -1.753 7.037 3.624 1.00 0.00 C ATOM 729 O LYS A 46 -2.230 7.938 2.964 1.00 0.00 O ATOM 730 CB LYS A 46 -3.331 6.157 5.369 1.00 0.00 C ATOM 731 CG LYS A 46 -4.187 7.410 5.182 1.00 0.00 C ATOM 732 CD LYS A 46 -3.865 8.418 6.288 1.00 0.00 C ATOM 733 CE LYS A 46 -5.043 8.504 7.262 1.00 0.00 C ATOM 734 NZ LYS A 46 -4.714 7.547 8.356 1.00 0.00 N ATOM 0 H LYS A 46 -1.602 4.482 5.378 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.290 5.624 3.251 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.959 5.315 5.659 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.612 6.311 6.174 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.994 7.852 4.205 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -5.245 7.148 5.210 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.962 8.115 6.819 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.666 9.398 5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.163 9.517 7.647 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.979 8.236 6.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.477 7.551 9.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.613 6.590 7.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.822 7.831 8.809 1.00 0.00 H new ATOM 748 N SER A 47 -0.500 7.049 3.982 1.00 0.00 N ATOM 749 CA SER A 47 0.374 8.188 3.579 1.00 0.00 C ATOM 750 C SER A 47 1.706 7.666 3.043 1.00 0.00 C ATOM 751 O SER A 47 2.127 6.571 3.356 1.00 0.00 O ATOM 752 CB SER A 47 0.590 8.997 4.857 1.00 0.00 C ATOM 753 OG SER A 47 1.316 8.213 5.795 1.00 0.00 O ATOM 0 H SER A 47 -0.043 6.323 4.534 1.00 0.00 H new ATOM 0 HA SER A 47 -0.073 8.791 2.788 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.136 9.913 4.633 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.370 9.293 5.280 1.00 0.00 H new ATOM 0 HG SER A 47 1.595 8.777 6.546 1.00 0.00 H new ATOM 759 N ALA A 48 2.369 8.442 2.237 1.00 0.00 N ATOM 760 CA ALA A 48 3.675 7.993 1.680 1.00 0.00 C ATOM 761 C ALA A 48 4.714 7.904 2.800 1.00 0.00 C ATOM 762 O ALA A 48 5.673 7.166 2.714 1.00 0.00 O ATOM 763 CB ALA A 48 4.065 9.070 0.668 1.00 0.00 C ATOM 0 H ALA A 48 2.065 9.369 1.938 1.00 0.00 H new ATOM 0 HA ALA A 48 3.616 7.007 1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.021 8.812 0.212 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.300 9.137 -0.105 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.153 10.031 1.175 1.00 0.00 H new ATOM 769 N GLU A 49 4.519 8.648 3.853 1.00 0.00 N ATOM 770 CA GLU A 49 5.486 8.611 4.986 1.00 0.00 C ATOM 771 C GLU A 49 5.312 7.315 5.779 1.00 0.00 C ATOM 772 O GLU A 49 6.258 6.769 6.311 1.00 0.00 O ATOM 773 CB GLU A 49 5.129 9.822 5.847 1.00 0.00 C ATOM 774 CG GLU A 49 5.892 11.049 5.346 1.00 0.00 C ATOM 775 CD GLU A 49 5.327 12.308 6.002 1.00 0.00 C ATOM 776 OE1 GLU A 49 5.031 12.254 7.185 1.00 0.00 O ATOM 777 OE2 GLU A 49 5.196 13.307 5.312 1.00 0.00 O ATOM 0 H GLU A 49 3.730 9.282 3.978 1.00 0.00 H new ATOM 0 HA GLU A 49 6.523 8.642 4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.056 10.007 5.806 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.379 9.626 6.890 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.952 10.950 5.579 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.809 11.123 4.262 1.00 0.00 H new ATOM 784 N ASP A 50 4.110 6.811 5.852 1.00 0.00 N ATOM 785 CA ASP A 50 3.877 5.544 6.600 1.00 0.00 C ATOM 786 C ASP A 50 4.491 4.382 5.823 1.00 0.00 C ATOM 787 O ASP A 50 5.052 3.465 6.390 1.00 0.00 O ATOM 788 CB ASP A 50 2.357 5.402 6.686 1.00 0.00 C ATOM 789 CG ASP A 50 1.820 6.333 7.775 1.00 0.00 C ATOM 790 OD1 ASP A 50 2.526 7.261 8.135 1.00 0.00 O ATOM 791 OD2 ASP A 50 0.712 6.103 8.228 1.00 0.00 O ATOM 0 H ASP A 50 3.280 7.222 5.426 1.00 0.00 H new ATOM 0 HA ASP A 50 4.329 5.548 7.592 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.903 5.648 5.726 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.089 4.369 6.910 1.00 0.00 H new ATOM 796 N CYS A 51 4.407 4.428 4.521 1.00 0.00 N ATOM 797 CA CYS A 51 5.005 3.340 3.694 1.00 0.00 C ATOM 798 C CYS A 51 6.527 3.483 3.715 1.00 0.00 C ATOM 799 O CYS A 51 7.252 2.522 3.883 1.00 0.00 O ATOM 800 CB CYS A 51 4.465 3.566 2.281 1.00 0.00 C ATOM 801 SG CYS A 51 5.125 2.293 1.176 1.00 0.00 S ATOM 0 H CYS A 51 3.950 5.172 3.994 1.00 0.00 H new ATOM 0 HA CYS A 51 4.757 2.343 4.059 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.376 3.530 2.286 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.750 4.556 1.925 1.00 0.00 H new ATOM 806 N MET A 52 7.014 4.687 3.558 1.00 0.00 N ATOM 807 CA MET A 52 8.487 4.906 3.577 1.00 0.00 C ATOM 808 C MET A 52 9.052 4.498 4.940 1.00 0.00 C ATOM 809 O MET A 52 9.986 3.727 5.029 1.00 0.00 O ATOM 810 CB MET A 52 8.674 6.407 3.347 1.00 0.00 C ATOM 811 CG MET A 52 9.668 6.628 2.204 1.00 0.00 C ATOM 812 SD MET A 52 8.807 7.358 0.789 1.00 0.00 S ATOM 813 CE MET A 52 9.213 6.066 -0.411 1.00 0.00 C ATOM 0 H MET A 52 6.453 5.527 3.418 1.00 0.00 H new ATOM 0 HA MET A 52 9.005 4.316 2.821 1.00 0.00 H new ATOM 0 HB2 MET A 52 7.717 6.871 3.106 1.00 0.00 H new ATOM 0 HB3 MET A 52 9.039 6.883 4.257 1.00 0.00 H new ATOM 0 HG2 MET A 52 10.474 7.284 2.531 1.00 0.00 H new ATOM 0 HG3 MET A 52 10.125 5.681 1.917 1.00 0.00 H new ATOM 0 HE1 MET A 52 8.416 5.993 -1.151 1.00 0.00 H new ATOM 0 HE2 MET A 52 10.150 6.314 -0.910 1.00 0.00 H new ATOM 0 HE3 MET A 52 9.319 5.111 0.104 1.00 0.00 H new ATOM 823 N ARG A 53 8.486 5.003 6.003 1.00 0.00 N ATOM 824 CA ARG A 53 8.988 4.634 7.356 1.00 0.00 C ATOM 825 C ARG A 53 9.039 3.110 7.487 1.00 0.00 C ATOM 826 O ARG A 53 9.788 2.567 8.273 1.00 0.00 O ATOM 827 CB ARG A 53 7.973 5.228 8.336 1.00 0.00 C ATOM 828 CG ARG A 53 8.375 6.663 8.678 1.00 0.00 C ATOM 829 CD ARG A 53 7.436 7.219 9.752 1.00 0.00 C ATOM 830 NE ARG A 53 6.696 8.323 9.080 1.00 0.00 N ATOM 831 CZ ARG A 53 5.742 8.949 9.713 1.00 0.00 C ATOM 832 NH1 ARG A 53 4.884 8.276 10.430 1.00 0.00 N ATOM 833 NH2 ARG A 53 5.646 10.247 9.628 1.00 0.00 N ATOM 0 H ARG A 53 7.700 5.653 5.992 1.00 0.00 H new ATOM 0 HA ARG A 53 9.994 5.009 7.546 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.976 5.213 7.897 1.00 0.00 H new ATOM 0 HB3 ARG A 53 7.931 4.625 9.243 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.405 6.688 9.034 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.331 7.286 7.785 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.754 6.451 10.117 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.994 7.585 10.614 1.00 0.00 H new ATOM 0 HE ARG A 53 6.935 8.590 8.125 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.959 7.261 10.496 1.00 0.00 H new ATOM 0 HH12 ARG A 53 4.138 8.765 10.925 1.00 0.00 H new ATOM 0 HH21 ARG A 53 6.316 10.772 9.067 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.900 10.737 10.123 1.00 0.00 H new ATOM 847 N THR A 54 8.249 2.419 6.711 1.00 0.00 N ATOM 848 CA THR A 54 8.250 0.930 6.778 1.00 0.00 C ATOM 849 C THR A 54 9.294 0.367 5.808 1.00 0.00 C ATOM 850 O THR A 54 10.096 -0.474 6.163 1.00 0.00 O ATOM 851 CB THR A 54 6.840 0.509 6.355 1.00 0.00 C ATOM 852 OG1 THR A 54 5.929 0.778 7.411 1.00 0.00 O ATOM 853 CG2 THR A 54 6.830 -0.986 6.039 1.00 0.00 C ATOM 0 H THR A 54 7.602 2.822 6.033 1.00 0.00 H new ATOM 0 HA THR A 54 8.500 0.559 7.772 1.00 0.00 H new ATOM 0 HB THR A 54 6.542 1.069 5.469 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.511 1.653 7.268 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.827 -1.287 5.738 1.00 0.00 H new ATOM 0 HG22 THR A 54 7.529 -1.191 5.229 1.00 0.00 H new ATOM 0 HG23 THR A 54 7.127 -1.547 6.925 1.00 0.00 H new ATOM 861 N CYS A 55 9.288 0.824 4.584 1.00 0.00 N ATOM 862 CA CYS A 55 10.281 0.315 3.594 1.00 0.00 C ATOM 863 C CYS A 55 10.763 1.452 2.688 1.00 0.00 C ATOM 864 O CYS A 55 10.747 1.345 1.477 1.00 0.00 O ATOM 865 CB CYS A 55 9.525 -0.735 2.783 1.00 0.00 C ATOM 866 SG CYS A 55 8.914 -2.024 3.895 1.00 0.00 S ATOM 0 H CYS A 55 8.640 1.526 4.228 1.00 0.00 H new ATOM 0 HA CYS A 55 11.167 -0.100 4.075 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.693 -0.272 2.253 1.00 0.00 H new ATOM 0 HB3 CYS A 55 10.181 -1.170 2.029 1.00 0.00 H new