USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 462 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 LEU N :NH3+ 146:sc= 0.663 (180deg=-0.294) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ -168:sc= 0.0201 (180deg=0.00671) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 147:sc= -0.788 (180deg=-3.43!) USER MOD Single : A 13 MET CE :methyl 165:sc= 0 (180deg=-0.166) USER MOD Single : A 14 ASN : amide:sc= -0.0825 K(o=-0.082,f=-1.6!) USER MOD Single : A 16 ASN : amide:sc= -3.26! C(o=-3.3!,f=-11!) USER MOD Single : A 19 GLN : amide:sc= -1.04 K(o=-1,f=-3.7!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -151:sc= -2.03! USER MOD Single : A 32 SER OG : rot 22:sc= 1.06 USER MOD Single : A 33 ASN : amide:sc= -5.97! C(o=-6!,f=-6.9!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0.305 K(o=0.31,f=-0.85) USER MOD Single : A 45 GLN : amide:sc= -0.0508 X(o=-0.051,f=-0.055) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -58:sc= -1.42! USER MOD Single : A 52 ASN : amide:sc= -6.14! C(o=-6.1!,f=-19!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 60:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 39.930 49.241 -36.658 1.00 0.00 N ATOM 2 CA LEU A 1 40.223 49.714 -35.276 1.00 0.00 C ATOM 3 C LEU A 1 40.491 51.219 -35.298 1.00 0.00 C ATOM 4 O LEU A 1 39.778 51.996 -34.695 1.00 0.00 O ATOM 5 CB LEU A 1 41.456 48.984 -34.738 1.00 0.00 C ATOM 6 CG LEU A 1 41.891 49.622 -33.418 1.00 0.00 C ATOM 7 CD1 LEU A 1 40.815 49.383 -32.357 1.00 0.00 C ATOM 8 CD2 LEU A 1 43.207 48.992 -32.958 1.00 0.00 C ATOM 0 H1 LEU A 1 40.301 48.277 -36.781 1.00 0.00 H new ATOM 0 H2 LEU A 1 38.902 49.239 -36.813 1.00 0.00 H new ATOM 0 H3 LEU A 1 40.383 49.876 -37.346 1.00 0.00 H new ATOM 0 HA LEU A 1 39.368 49.507 -34.632 1.00 0.00 H new ATOM 0 HB2 LEU A 1 41.230 47.929 -34.587 1.00 0.00 H new ATOM 0 HB3 LEU A 1 42.268 49.035 -35.464 1.00 0.00 H new ATOM 0 HG LEU A 1 42.030 50.694 -33.561 1.00 0.00 H new ATOM 0 HD11 LEU A 1 41.125 49.838 -31.416 1.00 0.00 H new ATOM 0 HD12 LEU A 1 39.876 49.830 -32.684 1.00 0.00 H new ATOM 0 HD13 LEU A 1 40.677 48.311 -32.214 1.00 0.00 H new ATOM 0 HD21 LEU A 1 43.518 49.446 -32.017 1.00 0.00 H new ATOM 0 HD22 LEU A 1 43.067 47.920 -32.815 1.00 0.00 H new ATOM 0 HD23 LEU A 1 43.975 49.160 -33.713 1.00 0.00 H new ATOM 22 N LYS A 2 41.515 51.638 -35.990 1.00 0.00 N ATOM 23 CA LYS A 2 41.829 53.094 -36.050 1.00 0.00 C ATOM 24 C LYS A 2 40.943 53.763 -37.103 1.00 0.00 C ATOM 25 O LYS A 2 41.113 53.563 -38.290 1.00 0.00 O ATOM 26 CB LYS A 2 43.301 53.281 -36.424 1.00 0.00 C ATOM 27 CG LYS A 2 44.177 52.478 -35.462 1.00 0.00 C ATOM 28 CD LYS A 2 45.402 51.946 -36.209 1.00 0.00 C ATOM 29 CE LYS A 2 45.998 50.768 -35.437 1.00 0.00 C ATOM 30 NZ LYS A 2 46.798 49.919 -36.365 1.00 0.00 N ATOM 0 H LYS A 2 42.148 51.035 -36.516 1.00 0.00 H new ATOM 0 HA LYS A 2 41.641 53.549 -35.077 1.00 0.00 H new ATOM 0 HB2 LYS A 2 43.472 52.952 -37.449 1.00 0.00 H new ATOM 0 HB3 LYS A 2 43.567 54.337 -36.380 1.00 0.00 H new ATOM 0 HG2 LYS A 2 44.491 53.107 -34.629 1.00 0.00 H new ATOM 0 HG3 LYS A 2 43.607 51.650 -35.040 1.00 0.00 H new ATOM 0 HD2 LYS A 2 45.120 51.631 -37.214 1.00 0.00 H new ATOM 0 HD3 LYS A 2 46.145 52.736 -36.319 1.00 0.00 H new ATOM 0 HE2 LYS A 2 46.628 51.133 -34.626 1.00 0.00 H new ATOM 0 HE3 LYS A 2 45.203 50.178 -34.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 47.203 49.118 -35.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 46.184 49.561 -37.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 47.566 50.485 -36.779 1.00 0.00 H new ATOM 44 N LYS A 3 39.995 54.554 -36.679 1.00 0.00 N ATOM 45 CA LYS A 3 39.098 55.233 -37.656 1.00 0.00 C ATOM 46 C LYS A 3 38.904 56.695 -37.245 1.00 0.00 C ATOM 47 O LYS A 3 37.805 57.124 -36.955 1.00 0.00 O ATOM 48 CB LYS A 3 37.739 54.529 -37.670 1.00 0.00 C ATOM 49 CG LYS A 3 37.588 53.729 -38.965 1.00 0.00 C ATOM 50 CD LYS A 3 36.390 52.785 -38.844 1.00 0.00 C ATOM 51 CE LYS A 3 35.841 52.473 -40.238 1.00 0.00 C ATOM 52 NZ LYS A 3 34.364 52.668 -40.245 1.00 0.00 N ATOM 0 H LYS A 3 39.803 54.759 -35.698 1.00 0.00 H new ATOM 0 HA LYS A 3 39.546 55.190 -38.649 1.00 0.00 H new ATOM 0 HB2 LYS A 3 37.653 53.866 -36.809 1.00 0.00 H new ATOM 0 HB3 LYS A 3 36.937 55.263 -37.589 1.00 0.00 H new ATOM 0 HG2 LYS A 3 37.448 54.405 -39.809 1.00 0.00 H new ATOM 0 HG3 LYS A 3 38.496 53.159 -39.161 1.00 0.00 H new ATOM 0 HD2 LYS A 3 36.689 51.863 -38.345 1.00 0.00 H new ATOM 0 HD3 LYS A 3 35.614 53.242 -38.230 1.00 0.00 H new ATOM 0 HE2 LYS A 3 36.308 53.123 -40.978 1.00 0.00 H new ATOM 0 HE3 LYS A 3 36.085 51.447 -40.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 33.965 52.267 -41.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 33.947 52.189 -39.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 34.148 53.684 -40.201 1.00 0.00 H new ATOM 66 N VAL A 4 39.959 57.466 -37.213 1.00 0.00 N ATOM 67 CA VAL A 4 39.819 58.898 -36.812 1.00 0.00 C ATOM 68 C VAL A 4 38.890 59.610 -37.803 1.00 0.00 C ATOM 69 O VAL A 4 39.199 59.739 -38.971 1.00 0.00 O ATOM 70 CB VAL A 4 41.189 59.577 -36.838 1.00 0.00 C ATOM 71 CG1 VAL A 4 41.723 59.599 -38.271 1.00 0.00 C ATOM 72 CG2 VAL A 4 41.055 61.014 -36.343 1.00 0.00 C ATOM 0 H VAL A 4 40.907 57.169 -37.446 1.00 0.00 H new ATOM 0 HA VAL A 4 39.404 58.953 -35.805 1.00 0.00 H new ATOM 0 HB VAL A 4 41.874 59.024 -36.195 1.00 0.00 H new ATOM 0 HG11 VAL A 4 42.699 60.083 -38.288 1.00 0.00 H new ATOM 0 HG12 VAL A 4 41.818 58.578 -38.640 1.00 0.00 H new ATOM 0 HG13 VAL A 4 41.033 60.152 -38.908 1.00 0.00 H new ATOM 0 HG21 VAL A 4 42.032 61.498 -36.362 1.00 0.00 H new ATOM 0 HG22 VAL A 4 40.368 61.559 -36.990 1.00 0.00 H new ATOM 0 HG23 VAL A 4 40.670 61.013 -35.323 1.00 0.00 H new ATOM 82 N VAL A 5 37.749 60.055 -37.357 1.00 0.00 N ATOM 83 CA VAL A 5 36.800 60.736 -38.282 1.00 0.00 C ATOM 84 C VAL A 5 37.053 62.248 -38.325 1.00 0.00 C ATOM 85 O VAL A 5 37.141 62.899 -37.315 1.00 0.00 O ATOM 86 CB VAL A 5 35.379 60.458 -37.820 1.00 0.00 C ATOM 87 CG1 VAL A 5 35.302 60.676 -36.314 1.00 0.00 C ATOM 88 CG2 VAL A 5 34.417 61.406 -38.532 1.00 0.00 C ATOM 0 H VAL A 5 37.432 59.977 -36.391 1.00 0.00 H new ATOM 0 HA VAL A 5 36.949 60.347 -39.289 1.00 0.00 H new ATOM 0 HB VAL A 5 35.103 59.430 -38.057 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.287 60.480 -35.969 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.993 59.998 -35.812 1.00 0.00 H new ATOM 0 HG13 VAL A 5 35.571 61.706 -36.081 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.398 61.207 -38.201 1.00 0.00 H new ATOM 0 HG22 VAL A 5 34.680 62.437 -38.295 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.485 61.252 -39.609 1.00 0.00 H new ATOM 98 N ALA A 6 37.141 62.810 -39.497 1.00 0.00 N ATOM 99 CA ALA A 6 37.381 64.280 -39.619 1.00 0.00 C ATOM 100 C ALA A 6 36.395 65.069 -38.754 1.00 0.00 C ATOM 101 O ALA A 6 35.512 64.518 -38.127 1.00 0.00 O ATOM 102 CB ALA A 6 37.191 64.699 -41.079 1.00 0.00 C ATOM 0 H ALA A 6 37.057 62.313 -40.384 1.00 0.00 H new ATOM 0 HA ALA A 6 38.396 64.493 -39.283 1.00 0.00 H new ATOM 0 HB1 ALA A 6 37.365 65.771 -41.175 1.00 0.00 H new ATOM 0 HB2 ALA A 6 37.899 64.159 -41.708 1.00 0.00 H new ATOM 0 HB3 ALA A 6 36.174 64.466 -41.395 1.00 0.00 H new ATOM 108 N LEU A 7 36.551 66.369 -38.729 1.00 0.00 N ATOM 109 CA LEU A 7 35.643 67.234 -37.922 1.00 0.00 C ATOM 110 C LEU A 7 35.453 68.565 -38.645 1.00 0.00 C ATOM 111 O LEU A 7 34.353 68.950 -38.989 1.00 0.00 O ATOM 112 CB LEU A 7 36.276 67.511 -36.555 1.00 0.00 C ATOM 113 CG LEU A 7 35.280 67.210 -35.436 1.00 0.00 C ATOM 114 CD1 LEU A 7 34.219 68.313 -35.391 1.00 0.00 C ATOM 115 CD2 LEU A 7 34.607 65.860 -35.690 1.00 0.00 C ATOM 0 H LEU A 7 37.277 66.871 -39.240 1.00 0.00 H new ATOM 0 HA LEU A 7 34.685 66.730 -37.792 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.169 66.899 -36.430 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.593 68.552 -36.498 1.00 0.00 H new ATOM 0 HG LEU A 7 35.808 67.172 -34.483 1.00 0.00 H new ATOM 0 HD11 LEU A 7 33.507 68.101 -34.593 1.00 0.00 H new ATOM 0 HD12 LEU A 7 34.700 69.273 -35.202 1.00 0.00 H new ATOM 0 HD13 LEU A 7 33.694 68.352 -36.345 1.00 0.00 H new ATOM 0 HD21 LEU A 7 33.898 65.651 -34.889 1.00 0.00 H new ATOM 0 HD22 LEU A 7 34.079 65.890 -36.643 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.364 65.076 -35.719 1.00 0.00 H new ATOM 127 N TYR A 8 36.524 69.275 -38.869 1.00 0.00 N ATOM 128 CA TYR A 8 36.420 70.587 -39.561 1.00 0.00 C ATOM 129 C TYR A 8 37.269 70.561 -40.835 1.00 0.00 C ATOM 130 O TYR A 8 38.360 70.026 -40.856 1.00 0.00 O ATOM 131 CB TYR A 8 36.919 71.685 -38.623 1.00 0.00 C ATOM 132 CG TYR A 8 36.359 71.445 -37.241 1.00 0.00 C ATOM 133 CD1 TYR A 8 35.056 71.855 -36.933 1.00 0.00 C ATOM 134 CD2 TYR A 8 37.141 70.810 -36.267 1.00 0.00 C ATOM 135 CE1 TYR A 8 34.536 71.632 -35.653 1.00 0.00 C ATOM 136 CE2 TYR A 8 36.620 70.588 -34.987 1.00 0.00 C ATOM 137 CZ TYR A 8 35.317 70.999 -34.679 1.00 0.00 C ATOM 138 OH TYR A 8 34.804 70.780 -33.417 1.00 0.00 O ATOM 0 H TYR A 8 37.469 69.001 -38.601 1.00 0.00 H new ATOM 0 HA TYR A 8 35.382 70.784 -39.831 1.00 0.00 H new ATOM 0 HB2 TYR A 8 38.009 71.687 -38.592 1.00 0.00 H new ATOM 0 HB3 TYR A 8 36.609 72.663 -38.990 1.00 0.00 H new ATOM 0 HD1 TYR A 8 34.452 72.343 -37.683 1.00 0.00 H new ATOM 0 HD2 TYR A 8 38.146 70.492 -36.504 1.00 0.00 H new ATOM 0 HE1 TYR A 8 33.531 71.949 -35.416 1.00 0.00 H new ATOM 0 HE2 TYR A 8 37.223 70.099 -34.236 1.00 0.00 H new ATOM 0 HH TYR A 8 35.476 70.329 -32.864 1.00 0.00 H new ATOM 148 N ASP A 9 36.772 71.129 -41.899 1.00 0.00 N ATOM 149 CA ASP A 9 37.540 71.134 -43.176 1.00 0.00 C ATOM 150 C ASP A 9 38.999 71.501 -42.902 1.00 0.00 C ATOM 151 O ASP A 9 39.297 72.558 -42.383 1.00 0.00 O ATOM 152 CB ASP A 9 36.927 72.160 -44.132 1.00 0.00 C ATOM 153 CG ASP A 9 37.822 72.313 -45.363 1.00 0.00 C ATOM 154 OD1 ASP A 9 38.199 71.299 -45.926 1.00 0.00 O ATOM 155 OD2 ASP A 9 38.115 73.441 -45.721 1.00 0.00 O ATOM 0 H ASP A 9 35.864 71.592 -41.939 1.00 0.00 H new ATOM 0 HA ASP A 9 37.498 70.142 -43.626 1.00 0.00 H new ATOM 0 HB2 ASP A 9 35.929 71.841 -44.433 1.00 0.00 H new ATOM 0 HB3 ASP A 9 36.816 73.120 -43.629 1.00 0.00 H new ATOM 160 N TYR A 10 39.913 70.638 -43.256 1.00 0.00 N ATOM 161 CA TYR A 10 41.352 70.941 -43.024 1.00 0.00 C ATOM 162 C TYR A 10 42.132 70.674 -44.310 1.00 0.00 C ATOM 163 O TYR A 10 42.254 69.549 -44.748 1.00 0.00 O ATOM 164 CB TYR A 10 41.891 70.048 -41.905 1.00 0.00 C ATOM 165 CG TYR A 10 42.907 70.817 -41.096 1.00 0.00 C ATOM 166 CD1 TYR A 10 42.531 71.992 -40.434 1.00 0.00 C ATOM 167 CD2 TYR A 10 44.226 70.355 -41.008 1.00 0.00 C ATOM 168 CE1 TYR A 10 43.474 72.706 -39.684 1.00 0.00 C ATOM 169 CE2 TYR A 10 45.169 71.069 -40.258 1.00 0.00 C ATOM 170 CZ TYR A 10 44.793 72.244 -39.596 1.00 0.00 C ATOM 171 OH TYR A 10 45.722 72.948 -38.857 1.00 0.00 O ATOM 0 H TYR A 10 39.724 69.737 -43.695 1.00 0.00 H new ATOM 0 HA TYR A 10 41.465 71.986 -42.735 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.074 69.717 -41.264 1.00 0.00 H new ATOM 0 HB3 TYR A 10 42.348 69.153 -42.327 1.00 0.00 H new ATOM 0 HD1 TYR A 10 41.514 72.348 -40.502 1.00 0.00 H new ATOM 0 HD2 TYR A 10 44.516 69.448 -41.518 1.00 0.00 H new ATOM 0 HE1 TYR A 10 43.184 73.613 -39.174 1.00 0.00 H new ATOM 0 HE2 TYR A 10 46.186 70.713 -40.190 1.00 0.00 H new ATOM 0 HH TYR A 10 46.588 72.491 -38.899 1.00 0.00 H new ATOM 181 N MET A 11 42.655 71.699 -44.923 1.00 0.00 N ATOM 182 CA MET A 11 43.417 71.501 -46.183 1.00 0.00 C ATOM 183 C MET A 11 44.834 71.022 -45.853 1.00 0.00 C ATOM 184 O MET A 11 45.285 71.154 -44.732 1.00 0.00 O ATOM 185 CB MET A 11 43.487 72.827 -46.945 1.00 0.00 C ATOM 186 CG MET A 11 42.167 73.062 -47.683 1.00 0.00 C ATOM 187 SD MET A 11 41.107 74.146 -46.693 1.00 0.00 S ATOM 188 CE MET A 11 42.277 75.515 -46.520 1.00 0.00 C ATOM 0 H MET A 11 42.587 72.665 -44.604 1.00 0.00 H new ATOM 0 HA MET A 11 42.918 70.753 -46.799 1.00 0.00 H new ATOM 0 HB2 MET A 11 43.680 73.647 -46.253 1.00 0.00 H new ATOM 0 HB3 MET A 11 44.314 72.808 -47.655 1.00 0.00 H new ATOM 0 HG2 MET A 11 42.358 73.513 -48.657 1.00 0.00 H new ATOM 0 HG3 MET A 11 41.665 72.112 -47.864 1.00 0.00 H new ATOM 0 HE1 MET A 11 41.731 76.458 -46.489 1.00 0.00 H new ATOM 0 HE2 MET A 11 42.845 75.394 -45.598 1.00 0.00 H new ATOM 0 HE3 MET A 11 42.961 75.519 -47.369 1.00 0.00 H new ATOM 198 N PRO A 12 45.491 70.474 -46.843 1.00 0.00 N ATOM 199 CA PRO A 12 46.861 69.954 -46.695 1.00 0.00 C ATOM 200 C PRO A 12 47.876 71.101 -46.693 1.00 0.00 C ATOM 201 O PRO A 12 47.851 71.969 -47.543 1.00 0.00 O ATOM 202 CB PRO A 12 47.042 69.062 -47.927 1.00 0.00 C ATOM 203 CG PRO A 12 46.017 69.553 -48.976 1.00 0.00 C ATOM 204 CD PRO A 12 44.929 70.321 -48.202 1.00 0.00 C ATOM 0 HA PRO A 12 47.016 69.416 -45.760 1.00 0.00 H new ATOM 0 HB2 PRO A 12 48.059 69.135 -48.313 1.00 0.00 H new ATOM 0 HB3 PRO A 12 46.871 68.015 -47.677 1.00 0.00 H new ATOM 0 HG2 PRO A 12 46.496 70.197 -49.713 1.00 0.00 H new ATOM 0 HG3 PRO A 12 45.586 68.712 -49.519 1.00 0.00 H new ATOM 0 HD2 PRO A 12 44.723 71.289 -48.659 1.00 0.00 H new ATOM 0 HD3 PRO A 12 43.989 69.770 -48.184 1.00 0.00 H new ATOM 211 N MET A 13 48.769 71.107 -45.742 1.00 0.00 N ATOM 212 CA MET A 13 49.789 72.190 -45.678 1.00 0.00 C ATOM 213 C MET A 13 51.140 71.587 -45.293 1.00 0.00 C ATOM 214 O MET A 13 52.006 72.260 -44.770 1.00 0.00 O ATOM 215 CB MET A 13 49.373 73.220 -44.625 1.00 0.00 C ATOM 216 CG MET A 13 49.184 72.525 -43.275 1.00 0.00 C ATOM 217 SD MET A 13 50.291 73.271 -42.053 1.00 0.00 S ATOM 218 CE MET A 13 49.443 74.863 -41.921 1.00 0.00 C ATOM 0 H MET A 13 48.836 70.406 -45.004 1.00 0.00 H new ATOM 0 HA MET A 13 49.868 72.677 -46.650 1.00 0.00 H new ATOM 0 HB2 MET A 13 50.132 73.998 -44.542 1.00 0.00 H new ATOM 0 HB3 MET A 13 48.447 73.710 -44.926 1.00 0.00 H new ATOM 0 HG2 MET A 13 48.148 72.618 -42.948 1.00 0.00 H new ATOM 0 HG3 MET A 13 49.394 71.460 -43.370 1.00 0.00 H new ATOM 0 HE1 MET A 13 49.792 75.388 -41.032 1.00 0.00 H new ATOM 0 HE2 MET A 13 49.657 75.464 -42.805 1.00 0.00 H new ATOM 0 HE3 MET A 13 48.368 74.698 -41.846 1.00 0.00 H new ATOM 228 N ASN A 14 51.326 70.320 -45.546 1.00 0.00 N ATOM 229 CA ASN A 14 52.620 69.672 -45.192 1.00 0.00 C ATOM 230 C ASN A 14 53.167 68.925 -46.410 1.00 0.00 C ATOM 231 O ASN A 14 54.247 69.208 -46.890 1.00 0.00 O ATOM 232 CB ASN A 14 52.397 68.686 -44.045 1.00 0.00 C ATOM 233 CG ASN A 14 52.169 69.458 -42.744 1.00 0.00 C ATOM 234 OD1 ASN A 14 52.699 70.536 -42.563 1.00 0.00 O ATOM 235 ND2 ASN A 14 51.397 68.949 -41.823 1.00 0.00 N ATOM 0 H ASN A 14 50.638 69.706 -45.982 1.00 0.00 H new ATOM 0 HA ASN A 14 53.336 70.433 -44.883 1.00 0.00 H new ATOM 0 HB2 ASN A 14 51.537 68.052 -44.259 1.00 0.00 H new ATOM 0 HB3 ASN A 14 53.261 68.029 -43.944 1.00 0.00 H new ATOM 0 HD21 ASN A 14 51.239 69.456 -40.952 1.00 0.00 H new ATOM 0 HD22 ASN A 14 50.951 68.044 -41.974 1.00 0.00 H new ATOM 242 N ALA A 15 52.431 67.974 -46.917 1.00 0.00 N ATOM 243 CA ALA A 15 52.913 67.213 -48.103 1.00 0.00 C ATOM 244 C ALA A 15 51.744 66.465 -48.746 1.00 0.00 C ATOM 245 O ALA A 15 51.422 66.672 -49.899 1.00 0.00 O ATOM 246 CB ALA A 15 53.982 66.209 -47.666 1.00 0.00 C ATOM 0 H ALA A 15 51.518 67.692 -46.561 1.00 0.00 H new ATOM 0 HA ALA A 15 53.339 67.907 -48.827 1.00 0.00 H new ATOM 0 HB1 ALA A 15 54.335 65.652 -48.534 1.00 0.00 H new ATOM 0 HB2 ALA A 15 54.818 66.742 -47.213 1.00 0.00 H new ATOM 0 HB3 ALA A 15 53.556 65.517 -46.940 1.00 0.00 H new ATOM 252 N ASN A 16 51.106 65.594 -48.013 1.00 0.00 N ATOM 253 CA ASN A 16 49.961 64.834 -48.590 1.00 0.00 C ATOM 254 C ASN A 16 48.800 64.812 -47.593 1.00 0.00 C ATOM 255 O ASN A 16 47.949 63.946 -47.639 1.00 0.00 O ATOM 256 CB ASN A 16 50.402 63.401 -48.894 1.00 0.00 C ATOM 257 CG ASN A 16 51.390 63.408 -50.061 1.00 0.00 C ATOM 258 OD1 ASN A 16 52.105 64.371 -50.261 1.00 0.00 O ATOM 259 ND2 ASN A 16 51.462 62.369 -50.847 1.00 0.00 N ATOM 0 H ASN A 16 51.327 65.376 -47.041 1.00 0.00 H new ATOM 0 HA ASN A 16 49.634 65.318 -49.511 1.00 0.00 H new ATOM 0 HB2 ASN A 16 50.866 62.958 -48.013 1.00 0.00 H new ATOM 0 HB3 ASN A 16 49.536 62.787 -49.141 1.00 0.00 H new ATOM 0 HD21 ASN A 16 52.118 62.365 -51.628 1.00 0.00 H new ATOM 0 HD22 ASN A 16 50.863 61.561 -50.680 1.00 0.00 H new ATOM 266 N ASP A 17 48.755 65.757 -46.694 1.00 0.00 N ATOM 267 CA ASP A 17 47.644 65.785 -45.702 1.00 0.00 C ATOM 268 C ASP A 17 46.319 65.519 -46.415 1.00 0.00 C ATOM 269 O ASP A 17 46.033 66.100 -47.443 1.00 0.00 O ATOM 270 CB ASP A 17 47.592 67.159 -45.031 1.00 0.00 C ATOM 271 CG ASP A 17 47.773 66.996 -43.520 1.00 0.00 C ATOM 272 OD1 ASP A 17 48.908 67.007 -43.075 1.00 0.00 O ATOM 273 OD2 ASP A 17 46.772 66.864 -42.835 1.00 0.00 O ATOM 0 H ASP A 17 49.438 66.509 -46.604 1.00 0.00 H new ATOM 0 HA ASP A 17 47.813 65.018 -44.947 1.00 0.00 H new ATOM 0 HB2 ASP A 17 48.374 67.802 -45.434 1.00 0.00 H new ATOM 0 HB3 ASP A 17 46.639 67.644 -45.244 1.00 0.00 H new ATOM 278 N LEU A 18 45.502 64.651 -45.881 1.00 0.00 N ATOM 279 CA LEU A 18 44.200 64.368 -46.541 1.00 0.00 C ATOM 280 C LEU A 18 43.216 65.478 -46.186 1.00 0.00 C ATOM 281 O LEU A 18 42.799 65.616 -45.054 1.00 0.00 O ATOM 282 CB LEU A 18 43.660 63.023 -46.035 1.00 0.00 C ATOM 283 CG LEU A 18 43.923 61.863 -47.025 1.00 0.00 C ATOM 284 CD1 LEU A 18 44.879 62.262 -48.160 1.00 0.00 C ATOM 285 CD2 LEU A 18 44.537 60.700 -46.250 1.00 0.00 C ATOM 0 H LEU A 18 45.680 64.130 -45.022 1.00 0.00 H new ATOM 0 HA LEU A 18 44.330 64.323 -47.622 1.00 0.00 H new ATOM 0 HB2 LEU A 18 44.122 62.788 -45.076 1.00 0.00 H new ATOM 0 HB3 LEU A 18 42.588 63.109 -45.860 1.00 0.00 H new ATOM 0 HG LEU A 18 42.972 61.588 -47.480 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.029 61.412 -48.825 1.00 0.00 H new ATOM 0 HD12 LEU A 18 44.450 63.091 -48.722 1.00 0.00 H new ATOM 0 HD13 LEU A 18 45.837 62.566 -47.739 1.00 0.00 H new ATOM 0 HD21 LEU A 18 44.730 59.871 -46.931 1.00 0.00 H new ATOM 0 HD22 LEU A 18 45.473 61.021 -45.794 1.00 0.00 H new ATOM 0 HD23 LEU A 18 43.846 60.377 -45.471 1.00 0.00 H new ATOM 297 N GLN A 19 42.847 66.273 -47.149 1.00 0.00 N ATOM 298 CA GLN A 19 41.891 67.381 -46.872 1.00 0.00 C ATOM 299 C GLN A 19 40.678 66.813 -46.137 1.00 0.00 C ATOM 300 O GLN A 19 39.970 65.970 -46.652 1.00 0.00 O ATOM 301 CB GLN A 19 41.448 68.023 -48.190 1.00 0.00 C ATOM 302 CG GLN A 19 40.219 68.903 -47.948 1.00 0.00 C ATOM 303 CD GLN A 19 39.003 68.286 -48.641 1.00 0.00 C ATOM 304 OE1 GLN A 19 39.142 67.408 -49.469 1.00 0.00 O ATOM 305 NE2 GLN A 19 37.808 68.712 -48.337 1.00 0.00 N ATOM 0 H GLN A 19 43.165 66.204 -48.116 1.00 0.00 H new ATOM 0 HA GLN A 19 42.372 68.140 -46.256 1.00 0.00 H new ATOM 0 HB2 GLN A 19 42.259 68.621 -48.605 1.00 0.00 H new ATOM 0 HB3 GLN A 19 41.215 67.250 -48.922 1.00 0.00 H new ATOM 0 HG2 GLN A 19 40.032 68.998 -46.878 1.00 0.00 H new ATOM 0 HG3 GLN A 19 40.397 69.908 -48.331 1.00 0.00 H new ATOM 0 HE21 GLN A 19 37.691 69.449 -47.642 1.00 0.00 H new ATOM 0 HE22 GLN A 19 36.991 68.308 -48.794 1.00 0.00 H new ATOM 314 N LEU A 20 40.437 67.252 -44.933 1.00 0.00 N ATOM 315 CA LEU A 20 39.277 66.713 -44.174 1.00 0.00 C ATOM 316 C LEU A 20 37.970 67.163 -44.814 1.00 0.00 C ATOM 317 O LEU A 20 37.883 68.213 -45.420 1.00 0.00 O ATOM 318 CB LEU A 20 39.322 67.198 -42.724 1.00 0.00 C ATOM 319 CG LEU A 20 40.529 66.599 -41.987 1.00 0.00 C ATOM 320 CD1 LEU A 20 40.127 66.288 -40.548 1.00 0.00 C ATOM 321 CD2 LEU A 20 41.003 65.304 -42.661 1.00 0.00 C ATOM 0 H LEU A 20 40.990 67.957 -44.445 1.00 0.00 H new ATOM 0 HA LEU A 20 39.331 65.625 -44.194 1.00 0.00 H new ATOM 0 HB2 LEU A 20 39.379 68.286 -42.701 1.00 0.00 H new ATOM 0 HB3 LEU A 20 38.401 66.917 -42.213 1.00 0.00 H new ATOM 0 HG LEU A 20 41.344 67.322 -42.013 1.00 0.00 H new ATOM 0 HD11 LEU A 20 40.978 65.862 -40.016 1.00 0.00 H new ATOM 0 HD12 LEU A 20 39.812 67.206 -40.052 1.00 0.00 H new ATOM 0 HD13 LEU A 20 39.304 65.574 -40.547 1.00 0.00 H new ATOM 0 HD21 LEU A 20 41.858 64.903 -42.117 1.00 0.00 H new ATOM 0 HD22 LEU A 20 40.194 64.573 -42.655 1.00 0.00 H new ATOM 0 HD23 LEU A 20 41.294 65.515 -43.690 1.00 0.00 H new ATOM 333 N ARG A 21 36.949 66.373 -44.664 1.00 0.00 N ATOM 334 CA ARG A 21 35.625 66.737 -45.238 1.00 0.00 C ATOM 335 C ARG A 21 34.574 66.605 -44.144 1.00 0.00 C ATOM 336 O ARG A 21 33.403 66.411 -44.402 1.00 0.00 O ATOM 337 CB ARG A 21 35.287 65.804 -46.403 1.00 0.00 C ATOM 338 CG ARG A 21 34.290 66.493 -47.336 1.00 0.00 C ATOM 339 CD ARG A 21 34.963 66.779 -48.680 1.00 0.00 C ATOM 340 NE ARG A 21 34.388 65.884 -49.724 1.00 0.00 N ATOM 341 CZ ARG A 21 35.178 65.258 -50.554 1.00 0.00 C ATOM 342 NH1 ARG A 21 36.355 65.748 -50.830 1.00 0.00 N ATOM 343 NH2 ARG A 21 34.790 64.141 -51.107 1.00 0.00 N ATOM 0 H ARG A 21 36.973 65.484 -44.165 1.00 0.00 H new ATOM 0 HA ARG A 21 35.648 67.761 -45.611 1.00 0.00 H new ATOM 0 HB2 ARG A 21 36.194 65.545 -46.950 1.00 0.00 H new ATOM 0 HB3 ARG A 21 34.865 64.873 -46.026 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.415 65.859 -47.483 1.00 0.00 H new ATOM 0 HG3 ARG A 21 33.939 67.423 -46.888 1.00 0.00 H new ATOM 0 HD2 ARG A 21 34.815 67.822 -48.958 1.00 0.00 H new ATOM 0 HD3 ARG A 21 36.038 66.620 -48.601 1.00 0.00 H new ATOM 0 HE ARG A 21 33.378 65.761 -49.790 1.00 0.00 H new ATOM 0 HH11 ARG A 21 36.658 66.620 -50.397 1.00 0.00 H new ATOM 0 HH12 ARG A 21 36.972 65.259 -51.478 1.00 0.00 H new ATOM 0 HH21 ARG A 21 33.870 63.757 -50.891 1.00 0.00 H new ATOM 0 HH22 ARG A 21 35.407 63.652 -51.755 1.00 0.00 H new ATOM 357 N LYS A 22 35.010 66.723 -42.925 1.00 0.00 N ATOM 358 CA LYS A 22 34.095 66.623 -41.754 1.00 0.00 C ATOM 359 C LYS A 22 32.979 65.614 -42.030 1.00 0.00 C ATOM 360 O LYS A 22 31.974 65.938 -42.631 1.00 0.00 O ATOM 361 CB LYS A 22 33.468 67.987 -41.472 1.00 0.00 C ATOM 362 CG LYS A 22 34.493 69.088 -41.730 1.00 0.00 C ATOM 363 CD LYS A 22 33.771 70.431 -41.867 1.00 0.00 C ATOM 364 CE LYS A 22 33.915 70.946 -43.300 1.00 0.00 C ATOM 365 NZ LYS A 22 32.563 71.161 -43.887 1.00 0.00 N ATOM 0 H LYS A 22 35.987 66.889 -42.683 1.00 0.00 H new ATOM 0 HA LYS A 22 34.674 66.292 -40.892 1.00 0.00 H new ATOM 0 HB2 LYS A 22 32.594 68.134 -42.107 1.00 0.00 H new ATOM 0 HB3 LYS A 22 33.123 68.033 -40.439 1.00 0.00 H new ATOM 0 HG2 LYS A 22 35.212 69.130 -40.912 1.00 0.00 H new ATOM 0 HG3 LYS A 22 35.056 68.871 -42.638 1.00 0.00 H new ATOM 0 HD2 LYS A 22 32.717 70.316 -41.615 1.00 0.00 H new ATOM 0 HD3 LYS A 22 34.189 71.154 -41.166 1.00 0.00 H new ATOM 0 HE2 LYS A 22 34.479 71.878 -43.308 1.00 0.00 H new ATOM 0 HE3 LYS A 22 34.475 70.229 -43.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 32.659 71.511 -44.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 32.040 70.262 -43.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 32.044 71.860 -43.318 1.00 0.00 H new ATOM 379 N GLY A 23 33.137 64.399 -41.593 1.00 0.00 N ATOM 380 CA GLY A 23 32.071 63.387 -41.835 1.00 0.00 C ATOM 381 C GLY A 23 32.720 62.069 -42.235 1.00 0.00 C ATOM 382 O GLY A 23 32.719 61.113 -41.485 1.00 0.00 O ATOM 0 H GLY A 23 33.953 64.062 -41.081 1.00 0.00 H new ATOM 0 HA2 GLY A 23 31.469 63.253 -40.937 1.00 0.00 H new ATOM 0 HA3 GLY A 23 31.398 63.729 -42.621 1.00 0.00 H new ATOM 386 N ASP A 24 33.295 62.012 -43.402 1.00 0.00 N ATOM 387 CA ASP A 24 33.962 60.754 -43.819 1.00 0.00 C ATOM 388 C ASP A 24 34.987 60.408 -42.748 1.00 0.00 C ATOM 389 O ASP A 24 35.678 61.269 -42.252 1.00 0.00 O ATOM 390 CB ASP A 24 34.667 60.958 -45.161 1.00 0.00 C ATOM 391 CG ASP A 24 33.627 61.013 -46.282 1.00 0.00 C ATOM 392 OD1 ASP A 24 32.531 61.483 -46.024 1.00 0.00 O ATOM 393 OD2 ASP A 24 33.945 60.585 -47.379 1.00 0.00 O ATOM 0 H ASP A 24 33.331 62.775 -44.078 1.00 0.00 H new ATOM 0 HA ASP A 24 33.233 59.952 -43.933 1.00 0.00 H new ATOM 0 HB2 ASP A 24 35.246 61.881 -45.143 1.00 0.00 H new ATOM 0 HB3 ASP A 24 35.369 60.144 -45.342 1.00 0.00 H new ATOM 398 N GLU A 25 35.089 59.173 -42.366 1.00 0.00 N ATOM 399 CA GLU A 25 36.074 58.830 -41.308 1.00 0.00 C ATOM 400 C GLU A 25 37.428 58.537 -41.944 1.00 0.00 C ATOM 401 O GLU A 25 37.561 58.466 -43.149 1.00 0.00 O ATOM 402 CB GLU A 25 35.592 57.610 -40.523 1.00 0.00 C ATOM 403 CG GLU A 25 34.225 57.910 -39.903 1.00 0.00 C ATOM 404 CD GLU A 25 33.172 56.983 -40.511 1.00 0.00 C ATOM 405 OE1 GLU A 25 33.199 55.804 -40.202 1.00 0.00 O ATOM 406 OE2 GLU A 25 32.354 57.469 -41.276 1.00 0.00 O ATOM 0 H GLU A 25 34.543 58.394 -42.733 1.00 0.00 H new ATOM 0 HA GLU A 25 36.174 59.673 -40.624 1.00 0.00 H new ATOM 0 HB2 GLU A 25 35.522 56.744 -41.182 1.00 0.00 H new ATOM 0 HB3 GLU A 25 36.310 57.359 -39.742 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.266 57.771 -38.823 1.00 0.00 H new ATOM 0 HG3 GLU A 25 33.954 58.951 -40.081 1.00 0.00 H new ATOM 413 N TYR A 26 38.439 58.384 -41.139 1.00 0.00 N ATOM 414 CA TYR A 26 39.791 58.115 -41.689 1.00 0.00 C ATOM 415 C TYR A 26 40.415 56.917 -40.969 1.00 0.00 C ATOM 416 O TYR A 26 40.286 56.763 -39.772 1.00 0.00 O ATOM 417 CB TYR A 26 40.663 59.352 -41.477 1.00 0.00 C ATOM 418 CG TYR A 26 40.029 60.545 -42.158 1.00 0.00 C ATOM 419 CD1 TYR A 26 38.786 61.037 -41.728 1.00 0.00 C ATOM 420 CD2 TYR A 26 40.691 61.162 -43.223 1.00 0.00 C ATOM 421 CE1 TYR A 26 38.216 62.145 -42.372 1.00 0.00 C ATOM 422 CE2 TYR A 26 40.116 62.266 -43.862 1.00 0.00 C ATOM 423 CZ TYR A 26 38.880 62.756 -43.436 1.00 0.00 C ATOM 424 OH TYR A 26 38.311 63.840 -44.069 1.00 0.00 O ATOM 0 H TYR A 26 38.386 58.434 -40.122 1.00 0.00 H new ATOM 0 HA TYR A 26 39.718 57.889 -42.753 1.00 0.00 H new ATOM 0 HB2 TYR A 26 40.779 59.549 -40.411 1.00 0.00 H new ATOM 0 HB3 TYR A 26 41.661 59.179 -41.880 1.00 0.00 H new ATOM 0 HD1 TYR A 26 38.271 60.564 -40.905 1.00 0.00 H new ATOM 0 HD2 TYR A 26 41.648 60.786 -43.553 1.00 0.00 H new ATOM 0 HE1 TYR A 26 37.260 62.526 -42.043 1.00 0.00 H new ATOM 0 HE2 TYR A 26 40.629 62.740 -44.686 1.00 0.00 H new ATOM 0 HH TYR A 26 38.602 63.863 -45.004 1.00 0.00 H new ATOM 434 N PHE A 27 41.105 56.077 -41.693 1.00 0.00 N ATOM 435 CA PHE A 27 41.755 54.895 -41.063 1.00 0.00 C ATOM 436 C PHE A 27 43.238 55.195 -40.906 1.00 0.00 C ATOM 437 O PHE A 27 43.875 55.693 -41.811 1.00 0.00 O ATOM 438 CB PHE A 27 41.565 53.663 -41.951 1.00 0.00 C ATOM 439 CG PHE A 27 41.406 52.437 -41.085 1.00 0.00 C ATOM 440 CD1 PHE A 27 42.536 51.724 -40.668 1.00 0.00 C ATOM 441 CD2 PHE A 27 40.129 52.015 -40.697 1.00 0.00 C ATOM 442 CE1 PHE A 27 42.389 50.588 -39.863 1.00 0.00 C ATOM 443 CE2 PHE A 27 39.981 50.879 -39.893 1.00 0.00 C ATOM 444 CZ PHE A 27 41.111 50.165 -39.476 1.00 0.00 C ATOM 0 H PHE A 27 41.246 56.161 -42.700 1.00 0.00 H new ATOM 0 HA PHE A 27 41.307 54.694 -40.090 1.00 0.00 H new ATOM 0 HB2 PHE A 27 40.687 53.790 -42.584 1.00 0.00 H new ATOM 0 HB3 PHE A 27 42.422 53.544 -42.614 1.00 0.00 H new ATOM 0 HD1 PHE A 27 43.521 52.050 -40.967 1.00 0.00 H new ATOM 0 HD2 PHE A 27 39.258 52.566 -41.018 1.00 0.00 H new ATOM 0 HE1 PHE A 27 43.261 50.038 -39.541 1.00 0.00 H new ATOM 0 HE2 PHE A 27 38.996 50.553 -39.594 1.00 0.00 H new ATOM 0 HZ PHE A 27 40.997 49.288 -38.856 1.00 0.00 H new ATOM 454 N ILE A 28 43.788 54.930 -39.760 1.00 0.00 N ATOM 455 CA ILE A 28 45.222 55.246 -39.548 1.00 0.00 C ATOM 456 C ILE A 28 46.126 54.136 -40.061 1.00 0.00 C ATOM 457 O ILE A 28 46.451 53.199 -39.358 1.00 0.00 O ATOM 458 CB ILE A 28 45.477 55.471 -38.063 1.00 0.00 C ATOM 459 CG1 ILE A 28 44.432 56.449 -37.511 1.00 0.00 C ATOM 460 CG2 ILE A 28 46.879 56.052 -37.881 1.00 0.00 C ATOM 461 CD1 ILE A 28 44.174 57.574 -38.522 1.00 0.00 C ATOM 0 H ILE A 28 43.309 54.510 -38.963 1.00 0.00 H new ATOM 0 HA ILE A 28 45.455 56.150 -40.110 1.00 0.00 H new ATOM 0 HB ILE A 28 45.402 54.526 -37.525 1.00 0.00 H new ATOM 0 HG12 ILE A 28 43.503 55.919 -37.300 1.00 0.00 H new ATOM 0 HG13 ILE A 28 44.780 56.870 -36.568 1.00 0.00 H new ATOM 0 HG21 ILE A 28 47.070 56.216 -36.820 1.00 0.00 H new ATOM 0 HG22 ILE A 28 47.616 55.355 -38.279 1.00 0.00 H new ATOM 0 HG23 ILE A 28 46.952 57.000 -38.414 1.00 0.00 H new ATOM 0 HD11 ILE A 28 43.431 58.262 -38.119 1.00 0.00 H new ATOM 0 HD12 ILE A 28 45.102 58.113 -38.711 1.00 0.00 H new ATOM 0 HD13 ILE A 28 43.806 57.147 -39.455 1.00 0.00 H new ATOM 473 N LEU A 29 46.574 54.269 -41.275 1.00 0.00 N ATOM 474 CA LEU A 29 47.499 53.275 -41.846 1.00 0.00 C ATOM 475 C LEU A 29 48.846 53.402 -41.123 1.00 0.00 C ATOM 476 O LEU A 29 49.747 52.611 -41.319 1.00 0.00 O ATOM 477 CB LEU A 29 47.674 53.596 -43.328 1.00 0.00 C ATOM 478 CG LEU A 29 46.392 53.252 -44.088 1.00 0.00 C ATOM 479 CD1 LEU A 29 45.893 51.869 -43.668 1.00 0.00 C ATOM 480 CD2 LEU A 29 45.313 54.294 -43.791 1.00 0.00 C ATOM 0 H LEU A 29 46.331 55.038 -41.899 1.00 0.00 H new ATOM 0 HA LEU A 29 47.117 52.261 -41.729 1.00 0.00 H new ATOM 0 HB2 LEU A 29 47.911 54.652 -43.455 1.00 0.00 H new ATOM 0 HB3 LEU A 29 48.512 53.030 -43.735 1.00 0.00 H new ATOM 0 HG LEU A 29 46.606 53.250 -45.157 1.00 0.00 H new ATOM 0 HD11 LEU A 29 44.980 51.631 -44.213 1.00 0.00 H new ATOM 0 HD12 LEU A 29 46.655 51.123 -43.893 1.00 0.00 H new ATOM 0 HD13 LEU A 29 45.688 51.866 -42.598 1.00 0.00 H new ATOM 0 HD21 LEU A 29 44.404 54.042 -44.336 1.00 0.00 H new ATOM 0 HD22 LEU A 29 45.103 54.306 -42.721 1.00 0.00 H new ATOM 0 HD23 LEU A 29 45.662 55.278 -44.103 1.00 0.00 H new ATOM 492 N GLU A 30 48.983 54.403 -40.285 1.00 0.00 N ATOM 493 CA GLU A 30 50.257 54.603 -39.541 1.00 0.00 C ATOM 494 C GLU A 30 50.109 55.839 -38.649 1.00 0.00 C ATOM 495 O GLU A 30 49.270 56.685 -38.887 1.00 0.00 O ATOM 496 CB GLU A 30 51.404 54.820 -40.531 1.00 0.00 C ATOM 497 CG GLU A 30 52.209 53.527 -40.673 1.00 0.00 C ATOM 498 CD GLU A 30 52.602 53.328 -42.138 1.00 0.00 C ATOM 499 OE1 GLU A 30 53.371 54.132 -42.639 1.00 0.00 O ATOM 500 OE2 GLU A 30 52.127 52.376 -42.735 1.00 0.00 O ATOM 0 H GLU A 30 48.258 55.093 -40.087 1.00 0.00 H new ATOM 0 HA GLU A 30 50.476 53.725 -38.933 1.00 0.00 H new ATOM 0 HB2 GLU A 30 51.009 55.123 -41.501 1.00 0.00 H new ATOM 0 HB3 GLU A 30 52.050 55.627 -40.184 1.00 0.00 H new ATOM 0 HG2 GLU A 30 53.102 53.572 -40.049 1.00 0.00 H new ATOM 0 HG3 GLU A 30 51.619 52.679 -40.325 1.00 0.00 H new ATOM 507 N GLU A 31 50.904 55.953 -37.622 1.00 0.00 N ATOM 508 CA GLU A 31 50.786 57.138 -36.725 1.00 0.00 C ATOM 509 C GLU A 31 52.174 57.729 -36.463 1.00 0.00 C ATOM 510 O GLU A 31 53.121 57.452 -37.172 1.00 0.00 O ATOM 511 CB GLU A 31 50.158 56.708 -35.398 1.00 0.00 C ATOM 512 CG GLU A 31 51.024 55.624 -34.751 1.00 0.00 C ATOM 513 CD GLU A 31 51.007 55.796 -33.231 1.00 0.00 C ATOM 514 OE1 GLU A 31 50.106 55.265 -32.604 1.00 0.00 O ATOM 515 OE2 GLU A 31 51.897 56.456 -32.719 1.00 0.00 O ATOM 0 H GLU A 31 51.627 55.281 -37.365 1.00 0.00 H new ATOM 0 HA GLU A 31 50.158 57.891 -37.202 1.00 0.00 H new ATOM 0 HB2 GLU A 31 50.070 57.565 -34.730 1.00 0.00 H new ATOM 0 HB3 GLU A 31 49.149 56.330 -35.566 1.00 0.00 H new ATOM 0 HG2 GLU A 31 50.650 54.636 -35.020 1.00 0.00 H new ATOM 0 HG3 GLU A 31 52.046 55.690 -35.124 1.00 0.00 H new ATOM 522 N SER A 32 52.300 58.541 -35.448 1.00 0.00 N ATOM 523 CA SER A 32 53.625 59.151 -35.138 1.00 0.00 C ATOM 524 C SER A 32 53.524 59.952 -33.838 1.00 0.00 C ATOM 525 O SER A 32 52.547 59.866 -33.120 1.00 0.00 O ATOM 526 CB SER A 32 54.036 60.082 -36.278 1.00 0.00 C ATOM 527 OG SER A 32 54.698 59.328 -37.285 1.00 0.00 O ATOM 0 H SER A 32 51.542 58.808 -34.820 1.00 0.00 H new ATOM 0 HA SER A 32 54.371 58.364 -35.024 1.00 0.00 H new ATOM 0 HB2 SER A 32 53.158 60.575 -36.695 1.00 0.00 H new ATOM 0 HB3 SER A 32 54.694 60.866 -35.903 1.00 0.00 H new ATOM 0 HG SER A 32 54.442 58.385 -37.209 1.00 0.00 H new ATOM 533 N ASN A 33 54.524 60.731 -33.528 1.00 0.00 N ATOM 534 CA ASN A 33 54.482 61.536 -32.275 1.00 0.00 C ATOM 535 C ASN A 33 53.834 62.893 -32.560 1.00 0.00 C ATOM 536 O ASN A 33 53.828 63.776 -31.725 1.00 0.00 O ATOM 537 CB ASN A 33 55.906 61.750 -31.758 1.00 0.00 C ATOM 538 CG ASN A 33 56.701 62.573 -32.773 1.00 0.00 C ATOM 539 OD1 ASN A 33 57.078 62.074 -33.815 1.00 0.00 O ATOM 540 ND2 ASN A 33 56.974 63.822 -32.512 1.00 0.00 N ATOM 0 H ASN A 33 55.368 60.845 -34.089 1.00 0.00 H new ATOM 0 HA ASN A 33 53.898 61.006 -31.523 1.00 0.00 H new ATOM 0 HB2 ASN A 33 55.882 62.264 -30.797 1.00 0.00 H new ATOM 0 HB3 ASN A 33 56.392 60.789 -31.593 1.00 0.00 H new ATOM 0 HD21 ASN A 33 57.504 64.379 -33.182 1.00 0.00 H new ATOM 0 HD22 ASN A 33 56.658 64.241 -31.638 1.00 0.00 H new ATOM 547 N LEU A 34 53.289 63.066 -33.732 1.00 0.00 N ATOM 548 CA LEU A 34 52.640 64.366 -34.072 1.00 0.00 C ATOM 549 C LEU A 34 51.124 64.158 -34.164 1.00 0.00 C ATOM 550 O LEU A 34 50.645 63.054 -33.999 1.00 0.00 O ATOM 551 CB LEU A 34 53.175 64.880 -35.417 1.00 0.00 C ATOM 552 CG LEU A 34 54.520 64.222 -35.736 1.00 0.00 C ATOM 553 CD1 LEU A 34 55.012 64.701 -37.103 1.00 0.00 C ATOM 554 CD2 LEU A 34 55.542 64.608 -34.664 1.00 0.00 C ATOM 0 H LEU A 34 53.264 62.363 -34.471 1.00 0.00 H new ATOM 0 HA LEU A 34 52.865 65.101 -33.299 1.00 0.00 H new ATOM 0 HB2 LEU A 34 52.458 64.663 -36.209 1.00 0.00 H new ATOM 0 HB3 LEU A 34 53.291 65.963 -35.381 1.00 0.00 H new ATOM 0 HG LEU A 34 54.399 63.139 -35.753 1.00 0.00 H new ATOM 0 HD11 LEU A 34 55.970 64.232 -37.330 1.00 0.00 H new ATOM 0 HD12 LEU A 34 54.285 64.428 -37.868 1.00 0.00 H new ATOM 0 HD13 LEU A 34 55.133 65.784 -37.087 1.00 0.00 H new ATOM 0 HD21 LEU A 34 56.500 64.140 -34.890 1.00 0.00 H new ATOM 0 HD22 LEU A 34 55.662 65.691 -34.649 1.00 0.00 H new ATOM 0 HD23 LEU A 34 55.193 64.268 -33.689 1.00 0.00 H new ATOM 566 N PRO A 35 50.412 65.225 -34.424 1.00 0.00 N ATOM 567 CA PRO A 35 48.944 65.186 -34.541 1.00 0.00 C ATOM 568 C PRO A 35 48.535 64.620 -35.903 1.00 0.00 C ATOM 569 O PRO A 35 47.536 63.941 -36.030 1.00 0.00 O ATOM 570 CB PRO A 35 48.533 66.655 -34.404 1.00 0.00 C ATOM 571 CG PRO A 35 49.778 67.493 -34.780 1.00 0.00 C ATOM 572 CD PRO A 35 50.998 66.566 -34.628 1.00 0.00 C ATOM 0 HA PRO A 35 48.467 64.549 -33.796 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.695 66.887 -35.062 1.00 0.00 H new ATOM 0 HB3 PRO A 35 48.210 66.875 -33.387 1.00 0.00 H new ATOM 0 HG2 PRO A 35 49.700 67.865 -35.801 1.00 0.00 H new ATOM 0 HG3 PRO A 35 49.870 68.363 -34.130 1.00 0.00 H new ATOM 0 HD2 PRO A 35 51.631 66.593 -35.515 1.00 0.00 H new ATOM 0 HD3 PRO A 35 51.620 66.862 -33.783 1.00 0.00 H new ATOM 579 N TRP A 36 49.307 64.886 -36.922 1.00 0.00 N ATOM 580 CA TRP A 36 48.967 64.354 -38.270 1.00 0.00 C ATOM 581 C TRP A 36 49.524 62.935 -38.399 1.00 0.00 C ATOM 582 O TRP A 36 50.658 62.676 -38.049 1.00 0.00 O ATOM 583 CB TRP A 36 49.591 65.249 -39.342 1.00 0.00 C ATOM 584 CG TRP A 36 49.148 66.662 -39.129 1.00 0.00 C ATOM 585 CD1 TRP A 36 47.886 67.115 -39.307 1.00 0.00 C ATOM 586 CD2 TRP A 36 49.939 67.809 -38.701 1.00 0.00 C ATOM 587 NE1 TRP A 36 47.851 68.467 -39.016 1.00 0.00 N ATOM 588 CE2 TRP A 36 49.092 68.941 -38.638 1.00 0.00 C ATOM 589 CE3 TRP A 36 51.295 67.976 -38.365 1.00 0.00 C ATOM 590 CZ2 TRP A 36 49.573 70.194 -38.254 1.00 0.00 C ATOM 591 CZ3 TRP A 36 51.782 69.235 -37.979 1.00 0.00 C ATOM 592 CH2 TRP A 36 50.923 70.342 -37.924 1.00 0.00 C ATOM 0 H TRP A 36 50.157 65.448 -36.878 1.00 0.00 H new ATOM 0 HA TRP A 36 47.885 64.338 -38.400 1.00 0.00 H new ATOM 0 HB2 TRP A 36 50.678 65.186 -39.296 1.00 0.00 H new ATOM 0 HB3 TRP A 36 49.294 64.909 -40.334 1.00 0.00 H new ATOM 0 HD1 TRP A 36 47.043 66.519 -39.624 1.00 0.00 H new ATOM 0 HE1 TRP A 36 47.011 69.043 -39.074 1.00 0.00 H new ATOM 0 HE3 TRP A 36 51.966 67.130 -38.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 48.907 71.043 -38.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 52.825 69.352 -37.723 1.00 0.00 H new ATOM 0 HH2 TRP A 36 51.304 71.308 -37.627 1.00 0.00 H new ATOM 603 N TRP A 37 48.746 62.008 -38.896 1.00 0.00 N ATOM 604 CA TRP A 37 49.262 60.615 -39.030 1.00 0.00 C ATOM 605 C TRP A 37 49.252 60.215 -40.504 1.00 0.00 C ATOM 606 O TRP A 37 49.217 61.052 -41.376 1.00 0.00 O ATOM 607 CB TRP A 37 48.383 59.662 -38.212 1.00 0.00 C ATOM 608 CG TRP A 37 48.633 59.888 -36.755 1.00 0.00 C ATOM 609 CD1 TRP A 37 49.698 60.545 -36.243 1.00 0.00 C ATOM 610 CD2 TRP A 37 47.827 59.465 -35.618 1.00 0.00 C ATOM 611 NE1 TRP A 37 49.597 60.554 -34.864 1.00 0.00 N ATOM 612 CE2 TRP A 37 48.460 59.901 -34.430 1.00 0.00 C ATOM 613 CE3 TRP A 37 46.619 58.753 -35.503 1.00 0.00 C ATOM 614 CZ2 TRP A 37 47.915 59.639 -33.173 1.00 0.00 C ATOM 615 CZ3 TRP A 37 46.067 58.488 -34.239 1.00 0.00 C ATOM 616 CH2 TRP A 37 46.714 58.930 -33.077 1.00 0.00 C ATOM 0 H TRP A 37 47.787 62.153 -39.211 1.00 0.00 H new ATOM 0 HA TRP A 37 50.283 60.559 -38.653 1.00 0.00 H new ATOM 0 HB2 TRP A 37 47.331 59.831 -38.443 1.00 0.00 H new ATOM 0 HB3 TRP A 37 48.605 58.628 -38.475 1.00 0.00 H new ATOM 0 HD1 TRP A 37 50.497 60.990 -36.817 1.00 0.00 H new ATOM 0 HE1 TRP A 37 50.279 60.990 -34.243 1.00 0.00 H new ATOM 0 HE3 TRP A 37 46.113 58.408 -36.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 48.417 59.981 -32.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 45.139 57.941 -34.162 1.00 0.00 H new ATOM 0 HH2 TRP A 37 46.285 58.723 -32.108 1.00 0.00 H new ATOM 627 N ARG A 38 49.279 58.946 -40.790 1.00 0.00 N ATOM 628 CA ARG A 38 49.266 58.498 -42.209 1.00 0.00 C ATOM 629 C ARG A 38 48.000 57.681 -42.430 1.00 0.00 C ATOM 630 O ARG A 38 48.012 56.467 -42.373 1.00 0.00 O ATOM 631 CB ARG A 38 50.496 57.629 -42.484 1.00 0.00 C ATOM 632 CG ARG A 38 51.102 58.010 -43.835 1.00 0.00 C ATOM 633 CD ARG A 38 52.333 57.142 -44.103 1.00 0.00 C ATOM 634 NE ARG A 38 52.296 56.650 -45.508 1.00 0.00 N ATOM 635 CZ ARG A 38 52.760 57.397 -46.473 1.00 0.00 C ATOM 636 NH1 ARG A 38 53.880 58.047 -46.313 1.00 0.00 N ATOM 637 NH2 ARG A 38 52.103 57.494 -47.596 1.00 0.00 N ATOM 0 H ARG A 38 49.310 58.196 -40.100 1.00 0.00 H new ATOM 0 HA ARG A 38 49.286 59.356 -42.881 1.00 0.00 H new ATOM 0 HB2 ARG A 38 51.233 57.764 -41.692 1.00 0.00 H new ATOM 0 HB3 ARG A 38 50.217 56.575 -42.484 1.00 0.00 H new ATOM 0 HG2 ARG A 38 50.367 57.872 -44.628 1.00 0.00 H new ATOM 0 HG3 ARG A 38 51.379 59.064 -43.837 1.00 0.00 H new ATOM 0 HD2 ARG A 38 53.242 57.718 -43.932 1.00 0.00 H new ATOM 0 HD3 ARG A 38 52.355 56.300 -43.412 1.00 0.00 H new ATOM 0 HE ARG A 38 51.908 55.730 -45.716 1.00 0.00 H new ATOM 0 HH11 ARG A 38 54.393 57.971 -45.434 1.00 0.00 H new ATOM 0 HH12 ARG A 38 54.243 58.631 -47.067 1.00 0.00 H new ATOM 0 HH21 ARG A 38 51.227 56.986 -47.720 1.00 0.00 H new ATOM 0 HH22 ARG A 38 52.465 58.078 -48.350 1.00 0.00 H new ATOM 651 N ALA A 39 46.900 58.339 -42.642 1.00 0.00 N ATOM 652 CA ALA A 39 45.625 57.603 -42.822 1.00 0.00 C ATOM 653 C ALA A 39 45.067 57.820 -44.228 1.00 0.00 C ATOM 654 O ALA A 39 45.485 58.700 -44.952 1.00 0.00 O ATOM 655 CB ALA A 39 44.617 58.135 -41.801 1.00 0.00 C ATOM 0 H ALA A 39 46.829 59.355 -42.698 1.00 0.00 H new ATOM 0 HA ALA A 39 45.803 56.537 -42.680 1.00 0.00 H new ATOM 0 HB1 ALA A 39 43.670 57.607 -41.915 1.00 0.00 H new ATOM 0 HB2 ALA A 39 45.002 57.977 -40.793 1.00 0.00 H new ATOM 0 HB3 ALA A 39 44.460 59.201 -41.966 1.00 0.00 H new ATOM 661 N ARG A 40 44.100 57.027 -44.599 1.00 0.00 N ATOM 662 CA ARG A 40 43.467 57.176 -45.935 1.00 0.00 C ATOM 663 C ARG A 40 42.009 57.575 -45.708 1.00 0.00 C ATOM 664 O ARG A 40 41.203 56.785 -45.261 1.00 0.00 O ATOM 665 CB ARG A 40 43.533 55.844 -46.688 1.00 0.00 C ATOM 666 CG ARG A 40 42.720 55.942 -47.979 1.00 0.00 C ATOM 667 CD ARG A 40 42.644 54.563 -48.639 1.00 0.00 C ATOM 668 NE ARG A 40 41.254 54.038 -48.534 1.00 0.00 N ATOM 669 CZ ARG A 40 41.028 52.759 -48.668 1.00 0.00 C ATOM 670 NH1 ARG A 40 41.721 51.898 -47.974 1.00 0.00 N ATOM 671 NH2 ARG A 40 40.109 52.341 -49.495 1.00 0.00 N ATOM 0 H ARG A 40 43.719 56.275 -44.025 1.00 0.00 H new ATOM 0 HA ARG A 40 43.983 57.931 -46.527 1.00 0.00 H new ATOM 0 HB2 ARG A 40 44.569 55.596 -46.917 1.00 0.00 H new ATOM 0 HB3 ARG A 40 43.144 55.041 -46.062 1.00 0.00 H new ATOM 0 HG2 ARG A 40 41.717 56.309 -47.763 1.00 0.00 H new ATOM 0 HG3 ARG A 40 43.182 56.658 -48.659 1.00 0.00 H new ATOM 0 HD2 ARG A 40 42.940 54.632 -49.686 1.00 0.00 H new ATOM 0 HD3 ARG A 40 43.340 53.878 -48.156 1.00 0.00 H new ATOM 0 HE ARG A 40 40.479 54.677 -48.358 1.00 0.00 H new ATOM 0 HH11 ARG A 40 42.439 52.224 -47.327 1.00 0.00 H new ATOM 0 HH12 ARG A 40 41.545 50.899 -48.078 1.00 0.00 H new ATOM 0 HH21 ARG A 40 39.567 53.014 -50.037 1.00 0.00 H new ATOM 0 HH22 ARG A 40 39.933 51.342 -49.599 1.00 0.00 H new ATOM 685 N ASP A 41 41.671 58.803 -45.981 1.00 0.00 N ATOM 686 CA ASP A 41 40.271 59.254 -45.742 1.00 0.00 C ATOM 687 C ASP A 41 39.286 58.331 -46.458 1.00 0.00 C ATOM 688 O ASP A 41 39.667 57.388 -47.124 1.00 0.00 O ATOM 689 CB ASP A 41 40.097 60.681 -46.252 1.00 0.00 C ATOM 690 CG ASP A 41 40.201 60.699 -47.778 1.00 0.00 C ATOM 691 OD1 ASP A 41 40.839 59.811 -48.319 1.00 0.00 O ATOM 692 OD2 ASP A 41 39.641 61.600 -48.381 1.00 0.00 O ATOM 0 H ASP A 41 42.300 59.512 -46.358 1.00 0.00 H new ATOM 0 HA ASP A 41 40.070 59.222 -44.671 1.00 0.00 H new ATOM 0 HB2 ASP A 41 39.130 61.074 -45.939 1.00 0.00 H new ATOM 0 HB3 ASP A 41 40.859 61.328 -45.818 1.00 0.00 H new ATOM 697 N LYS A 42 38.018 58.600 -46.318 1.00 0.00 N ATOM 698 CA LYS A 42 36.991 57.745 -46.981 1.00 0.00 C ATOM 699 C LYS A 42 37.006 58.002 -48.487 1.00 0.00 C ATOM 700 O LYS A 42 36.372 57.304 -49.253 1.00 0.00 O ATOM 701 CB LYS A 42 35.607 58.081 -46.421 1.00 0.00 C ATOM 702 CG LYS A 42 34.656 56.908 -46.673 1.00 0.00 C ATOM 703 CD LYS A 42 33.356 57.428 -47.291 1.00 0.00 C ATOM 704 CE LYS A 42 32.393 56.260 -47.513 1.00 0.00 C ATOM 705 NZ LYS A 42 32.190 56.055 -48.975 1.00 0.00 N ATOM 0 H LYS A 42 37.646 59.377 -45.772 1.00 0.00 H new ATOM 0 HA LYS A 42 37.216 56.696 -46.790 1.00 0.00 H new ATOM 0 HB2 LYS A 42 35.675 58.285 -45.352 1.00 0.00 H new ATOM 0 HB3 LYS A 42 35.221 58.984 -46.894 1.00 0.00 H new ATOM 0 HG2 LYS A 42 35.124 56.184 -47.340 1.00 0.00 H new ATOM 0 HG3 LYS A 42 34.445 56.390 -45.738 1.00 0.00 H new ATOM 0 HD2 LYS A 42 32.900 58.169 -46.635 1.00 0.00 H new ATOM 0 HD3 LYS A 42 33.565 57.926 -48.238 1.00 0.00 H new ATOM 0 HE2 LYS A 42 32.794 55.353 -47.060 1.00 0.00 H new ATOM 0 HE3 LYS A 42 31.439 56.464 -47.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 31.535 55.261 -49.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 31.790 56.919 -49.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 33.103 55.842 -49.426 1.00 0.00 H new ATOM 719 N ASN A 43 37.730 58.996 -48.920 1.00 0.00 N ATOM 720 CA ASN A 43 37.789 59.293 -50.377 1.00 0.00 C ATOM 721 C ASN A 43 38.772 58.333 -51.050 1.00 0.00 C ATOM 722 O ASN A 43 39.058 58.445 -52.226 1.00 0.00 O ATOM 723 CB ASN A 43 38.260 60.734 -50.585 1.00 0.00 C ATOM 724 CG ASN A 43 37.678 61.279 -51.890 1.00 0.00 C ATOM 725 OD1 ASN A 43 37.335 62.441 -51.977 1.00 0.00 O ATOM 726 ND2 ASN A 43 37.549 60.483 -52.915 1.00 0.00 N ATOM 0 H ASN A 43 38.283 59.615 -48.328 1.00 0.00 H new ATOM 0 HA ASN A 43 36.799 59.168 -50.815 1.00 0.00 H new ATOM 0 HB2 ASN A 43 37.945 61.355 -49.747 1.00 0.00 H new ATOM 0 HB3 ASN A 43 39.349 60.771 -50.617 1.00 0.00 H new ATOM 0 HD21 ASN A 43 37.160 60.836 -53.789 1.00 0.00 H new ATOM 0 HD22 ASN A 43 37.837 59.507 -52.842 1.00 0.00 H new ATOM 733 N GLY A 44 39.292 57.389 -50.314 1.00 0.00 N ATOM 734 CA GLY A 44 40.255 56.426 -50.913 1.00 0.00 C ATOM 735 C GLY A 44 41.553 57.153 -51.258 1.00 0.00 C ATOM 736 O GLY A 44 42.129 56.948 -52.308 1.00 0.00 O ATOM 0 H GLY A 44 39.091 57.244 -49.325 1.00 0.00 H new ATOM 0 HA2 GLY A 44 40.455 55.613 -50.215 1.00 0.00 H new ATOM 0 HA3 GLY A 44 39.827 55.978 -51.810 1.00 0.00 H new ATOM 740 N GLN A 45 42.025 57.999 -50.383 1.00 0.00 N ATOM 741 CA GLN A 45 43.284 58.727 -50.662 1.00 0.00 C ATOM 742 C GLN A 45 44.168 58.650 -49.424 1.00 0.00 C ATOM 743 O GLN A 45 43.736 58.946 -48.326 1.00 0.00 O ATOM 744 CB GLN A 45 42.970 60.190 -50.981 1.00 0.00 C ATOM 745 CG GLN A 45 44.086 60.775 -51.847 1.00 0.00 C ATOM 746 CD GLN A 45 44.314 62.239 -51.465 1.00 0.00 C ATOM 747 OE1 GLN A 45 45.438 62.665 -51.289 1.00 0.00 O ATOM 748 NE2 GLN A 45 43.287 63.032 -51.328 1.00 0.00 N ATOM 0 H GLN A 45 41.588 58.214 -49.487 1.00 0.00 H new ATOM 0 HA GLN A 45 43.795 58.281 -51.515 1.00 0.00 H new ATOM 0 HB2 GLN A 45 42.015 60.263 -51.502 1.00 0.00 H new ATOM 0 HB3 GLN A 45 42.874 60.762 -50.058 1.00 0.00 H new ATOM 0 HG2 GLN A 45 45.005 60.205 -51.709 1.00 0.00 H new ATOM 0 HG3 GLN A 45 43.820 60.700 -52.901 1.00 0.00 H new ATOM 0 HE21 GLN A 45 42.343 62.674 -51.476 1.00 0.00 H new ATOM 0 HE22 GLN A 45 43.428 64.010 -51.073 1.00 0.00 H new ATOM 757 N GLU A 46 45.396 58.247 -49.590 1.00 0.00 N ATOM 758 CA GLU A 46 46.311 58.148 -48.422 1.00 0.00 C ATOM 759 C GLU A 46 47.012 59.490 -48.233 1.00 0.00 C ATOM 760 O GLU A 46 47.543 60.060 -49.166 1.00 0.00 O ATOM 761 CB GLU A 46 47.342 57.050 -48.682 1.00 0.00 C ATOM 762 CG GLU A 46 46.655 55.877 -49.384 1.00 0.00 C ATOM 763 CD GLU A 46 47.676 54.769 -49.649 1.00 0.00 C ATOM 764 OE1 GLU A 46 48.851 55.008 -49.428 1.00 0.00 O ATOM 765 OE2 GLU A 46 47.264 53.699 -50.069 1.00 0.00 O ATOM 0 H GLU A 46 45.805 57.982 -50.486 1.00 0.00 H new ATOM 0 HA GLU A 46 45.749 57.901 -47.521 1.00 0.00 H new ATOM 0 HB2 GLU A 46 48.154 57.435 -49.299 1.00 0.00 H new ATOM 0 HB3 GLU A 46 47.785 56.719 -47.742 1.00 0.00 H new ATOM 0 HG2 GLU A 46 45.842 55.496 -48.766 1.00 0.00 H new ATOM 0 HG3 GLU A 46 46.213 56.210 -50.323 1.00 0.00 H new ATOM 772 N GLY A 47 47.007 60.011 -47.040 1.00 0.00 N ATOM 773 CA GLY A 47 47.659 61.326 -46.810 1.00 0.00 C ATOM 774 C GLY A 47 47.844 61.563 -45.314 1.00 0.00 C ATOM 775 O GLY A 47 47.626 60.685 -44.502 1.00 0.00 O ATOM 0 H GLY A 47 46.581 59.584 -46.217 1.00 0.00 H new ATOM 0 HA2 GLY A 47 48.625 61.355 -47.313 1.00 0.00 H new ATOM 0 HA3 GLY A 47 47.052 62.122 -47.240 1.00 0.00 H new ATOM 779 N TYR A 48 48.238 62.749 -44.942 1.00 0.00 N ATOM 780 CA TYR A 48 48.429 63.046 -43.496 1.00 0.00 C ATOM 781 C TYR A 48 47.108 63.551 -42.913 1.00 0.00 C ATOM 782 O TYR A 48 46.483 64.445 -43.445 1.00 0.00 O ATOM 783 CB TYR A 48 49.521 64.109 -43.314 1.00 0.00 C ATOM 784 CG TYR A 48 50.836 63.609 -43.874 1.00 0.00 C ATOM 785 CD1 TYR A 48 50.973 62.275 -44.283 1.00 0.00 C ATOM 786 CD2 TYR A 48 51.923 64.486 -43.981 1.00 0.00 C ATOM 787 CE1 TYR A 48 52.193 61.821 -44.798 1.00 0.00 C ATOM 788 CE2 TYR A 48 53.143 64.031 -44.495 1.00 0.00 C ATOM 789 CZ TYR A 48 53.278 62.699 -44.904 1.00 0.00 C ATOM 790 OH TYR A 48 54.481 62.252 -45.410 1.00 0.00 O ATOM 0 H TYR A 48 48.435 63.524 -45.576 1.00 0.00 H new ATOM 0 HA TYR A 48 48.738 62.139 -42.976 1.00 0.00 H new ATOM 0 HB2 TYR A 48 49.229 65.030 -43.818 1.00 0.00 H new ATOM 0 HB3 TYR A 48 49.635 64.347 -42.256 1.00 0.00 H new ATOM 0 HD1 TYR A 48 50.136 61.597 -44.201 1.00 0.00 H new ATOM 0 HD2 TYR A 48 51.820 65.514 -43.667 1.00 0.00 H new ATOM 0 HE1 TYR A 48 52.297 60.793 -45.114 1.00 0.00 H new ATOM 0 HE2 TYR A 48 53.981 64.708 -44.576 1.00 0.00 H new ATOM 0 HH TYR A 48 55.127 62.989 -45.416 1.00 0.00 H new ATOM 800 N ILE A 49 46.668 62.971 -41.832 1.00 0.00 N ATOM 801 CA ILE A 49 45.376 63.402 -41.231 1.00 0.00 C ATOM 802 C ILE A 49 45.607 63.919 -39.804 1.00 0.00 C ATOM 803 O ILE A 49 46.258 63.265 -39.016 1.00 0.00 O ATOM 804 CB ILE A 49 44.443 62.204 -41.197 1.00 0.00 C ATOM 805 CG1 ILE A 49 44.012 61.858 -42.620 1.00 0.00 C ATOM 806 CG2 ILE A 49 43.214 62.514 -40.342 1.00 0.00 C ATOM 807 CD1 ILE A 49 45.224 61.335 -43.390 1.00 0.00 C ATOM 0 H ILE A 49 47.147 62.217 -41.339 1.00 0.00 H new ATOM 0 HA ILE A 49 44.939 64.205 -41.824 1.00 0.00 H new ATOM 0 HB ILE A 49 44.967 61.355 -40.758 1.00 0.00 H new ATOM 0 HG12 ILE A 49 43.223 61.106 -42.603 1.00 0.00 H new ATOM 0 HG13 ILE A 49 43.602 62.739 -43.115 1.00 0.00 H new ATOM 0 HG21 ILE A 49 42.554 61.647 -40.326 1.00 0.00 H new ATOM 0 HG22 ILE A 49 43.528 62.749 -39.325 1.00 0.00 H new ATOM 0 HG23 ILE A 49 42.683 63.367 -40.764 1.00 0.00 H new ATOM 0 HD11 ILE A 49 44.928 61.085 -44.409 1.00 0.00 H new ATOM 0 HD12 ILE A 49 45.998 62.102 -43.416 1.00 0.00 H new ATOM 0 HD13 ILE A 49 45.612 60.445 -42.896 1.00 0.00 H new ATOM 819 N PRO A 50 45.065 65.080 -39.515 1.00 0.00 N ATOM 820 CA PRO A 50 45.200 65.715 -38.190 1.00 0.00 C ATOM 821 C PRO A 50 44.275 65.054 -37.167 1.00 0.00 C ATOM 822 O PRO A 50 43.135 64.744 -37.450 1.00 0.00 O ATOM 823 CB PRO A 50 44.786 67.167 -38.443 1.00 0.00 C ATOM 824 CG PRO A 50 43.914 67.156 -39.720 1.00 0.00 C ATOM 825 CD PRO A 50 44.263 65.863 -40.478 1.00 0.00 C ATOM 0 HA PRO A 50 46.206 65.626 -37.780 1.00 0.00 H new ATOM 0 HB2 PRO A 50 44.228 67.565 -37.595 1.00 0.00 H new ATOM 0 HB3 PRO A 50 45.661 67.803 -38.576 1.00 0.00 H new ATOM 0 HG2 PRO A 50 42.854 67.183 -39.466 1.00 0.00 H new ATOM 0 HG3 PRO A 50 44.116 68.033 -40.335 1.00 0.00 H new ATOM 0 HD2 PRO A 50 43.365 65.324 -40.779 1.00 0.00 H new ATOM 0 HD3 PRO A 50 44.827 66.074 -41.386 1.00 0.00 H new ATOM 832 N SER A 51 44.763 64.843 -35.976 1.00 0.00 N ATOM 833 CA SER A 51 43.923 64.210 -34.923 1.00 0.00 C ATOM 834 C SER A 51 43.511 65.272 -33.904 1.00 0.00 C ATOM 835 O SER A 51 42.495 65.154 -33.248 1.00 0.00 O ATOM 836 CB SER A 51 44.728 63.118 -34.221 1.00 0.00 C ATOM 837 OG SER A 51 44.861 62.001 -35.091 1.00 0.00 O ATOM 0 H SER A 51 45.711 65.083 -35.686 1.00 0.00 H new ATOM 0 HA SER A 51 43.034 63.772 -35.376 1.00 0.00 H new ATOM 0 HB2 SER A 51 45.712 63.497 -33.943 1.00 0.00 H new ATOM 0 HB3 SER A 51 44.230 62.818 -33.299 1.00 0.00 H new ATOM 0 HG SER A 51 43.972 61.676 -35.345 1.00 0.00 H new ATOM 843 N ASN A 52 44.293 66.312 -33.768 1.00 0.00 N ATOM 844 CA ASN A 52 43.945 67.387 -32.795 1.00 0.00 C ATOM 845 C ASN A 52 42.451 67.690 -32.905 1.00 0.00 C ATOM 846 O ASN A 52 41.805 68.051 -31.942 1.00 0.00 O ATOM 847 CB ASN A 52 44.749 68.648 -33.116 1.00 0.00 C ATOM 848 CG ASN A 52 44.681 68.927 -34.618 1.00 0.00 C ATOM 849 OD1 ASN A 52 44.018 68.219 -35.350 1.00 0.00 O ATOM 850 ND2 ASN A 52 45.342 69.938 -35.113 1.00 0.00 N ATOM 0 H ASN A 52 45.157 66.462 -34.289 1.00 0.00 H new ATOM 0 HA ASN A 52 44.182 67.060 -31.783 1.00 0.00 H new ATOM 0 HB2 ASN A 52 44.352 69.497 -32.559 1.00 0.00 H new ATOM 0 HB3 ASN A 52 45.786 68.520 -32.806 1.00 0.00 H new ATOM 0 HD21 ASN A 52 45.302 70.133 -36.113 1.00 0.00 H new ATOM 0 HD22 ASN A 52 45.899 70.533 -34.499 1.00 0.00 H new ATOM 857 N TYR A 53 41.899 67.530 -34.075 1.00 0.00 N ATOM 858 CA TYR A 53 40.442 67.791 -34.258 1.00 0.00 C ATOM 859 C TYR A 53 39.755 66.465 -34.605 1.00 0.00 C ATOM 860 O TYR A 53 39.750 65.551 -33.805 1.00 0.00 O ATOM 861 CB TYR A 53 40.245 68.811 -35.383 1.00 0.00 C ATOM 862 CG TYR A 53 40.911 70.113 -35.007 1.00 0.00 C ATOM 863 CD1 TYR A 53 40.242 71.030 -34.187 1.00 0.00 C ATOM 864 CD2 TYR A 53 42.197 70.403 -35.477 1.00 0.00 C ATOM 865 CE1 TYR A 53 40.859 72.237 -33.838 1.00 0.00 C ATOM 866 CE2 TYR A 53 42.815 71.610 -35.127 1.00 0.00 C ATOM 867 CZ TYR A 53 42.146 72.527 -34.307 1.00 0.00 C ATOM 868 OH TYR A 53 42.755 73.716 -33.963 1.00 0.00 O ATOM 0 H TYR A 53 42.394 67.229 -34.915 1.00 0.00 H new ATOM 0 HA TYR A 53 40.006 68.198 -33.345 1.00 0.00 H new ATOM 0 HB2 TYR A 53 40.668 68.429 -36.312 1.00 0.00 H new ATOM 0 HB3 TYR A 53 39.182 68.972 -35.560 1.00 0.00 H new ATOM 0 HD1 TYR A 53 39.250 70.806 -33.824 1.00 0.00 H new ATOM 0 HD2 TYR A 53 42.713 69.696 -36.110 1.00 0.00 H new ATOM 0 HE1 TYR A 53 40.342 72.945 -33.207 1.00 0.00 H new ATOM 0 HE2 TYR A 53 43.807 71.834 -35.489 1.00 0.00 H new ATOM 0 HH TYR A 53 43.645 73.758 -34.371 1.00 0.00 H new ATOM 878 N VAL A 54 39.201 66.339 -35.793 1.00 0.00 N ATOM 879 CA VAL A 54 38.542 65.058 -36.200 1.00 0.00 C ATOM 880 C VAL A 54 37.922 64.355 -35.003 1.00 0.00 C ATOM 881 O VAL A 54 37.430 64.978 -34.083 1.00 0.00 O ATOM 882 CB VAL A 54 39.581 64.154 -36.855 1.00 0.00 C ATOM 883 CG1 VAL A 54 40.272 64.923 -37.972 1.00 0.00 C ATOM 884 CG2 VAL A 54 40.598 63.713 -35.806 1.00 0.00 C ATOM 0 H VAL A 54 39.179 67.075 -36.499 1.00 0.00 H new ATOM 0 HA VAL A 54 37.742 65.282 -36.906 1.00 0.00 H new ATOM 0 HB VAL A 54 39.101 63.269 -37.274 1.00 0.00 H new ATOM 0 HG11 VAL A 54 41.017 64.284 -38.446 1.00 0.00 H new ATOM 0 HG12 VAL A 54 39.534 65.231 -38.712 1.00 0.00 H new ATOM 0 HG13 VAL A 54 40.761 65.805 -37.558 1.00 0.00 H new ATOM 0 HG21 VAL A 54 41.343 63.066 -36.270 1.00 0.00 H new ATOM 0 HG22 VAL A 54 41.090 64.590 -35.385 1.00 0.00 H new ATOM 0 HG23 VAL A 54 40.088 63.167 -35.012 1.00 0.00 H new ATOM 894 N THR A 55 37.915 63.061 -35.028 1.00 0.00 N ATOM 895 CA THR A 55 37.302 62.303 -33.925 1.00 0.00 C ATOM 896 C THR A 55 37.766 60.843 -34.039 1.00 0.00 C ATOM 897 O THR A 55 38.546 60.516 -34.901 1.00 0.00 O ATOM 898 CB THR A 55 35.783 62.469 -34.057 1.00 0.00 C ATOM 899 OG1 THR A 55 35.374 63.589 -33.285 1.00 0.00 O ATOM 900 CG2 THR A 55 35.018 61.232 -33.582 1.00 0.00 C ATOM 0 H THR A 55 38.313 62.492 -35.775 1.00 0.00 H new ATOM 0 HA THR A 55 37.597 62.658 -32.938 1.00 0.00 H new ATOM 0 HB THR A 55 35.556 62.613 -35.113 1.00 0.00 H new ATOM 0 HG1 THR A 55 35.829 64.394 -33.609 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.947 61.400 -33.696 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.315 60.369 -34.178 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.246 61.044 -32.533 1.00 0.00 H new ATOM 908 N GLU A 56 37.327 59.974 -33.177 1.00 0.00 N ATOM 909 CA GLU A 56 37.783 58.556 -33.235 1.00 0.00 C ATOM 910 C GLU A 56 39.306 58.510 -33.041 1.00 0.00 C ATOM 911 O GLU A 56 39.836 59.177 -32.175 1.00 0.00 O ATOM 912 CB GLU A 56 37.376 57.924 -34.564 1.00 0.00 C ATOM 913 CG GLU A 56 35.855 57.766 -34.609 1.00 0.00 C ATOM 914 CD GLU A 56 35.473 56.369 -34.118 1.00 0.00 C ATOM 915 OE1 GLU A 56 36.235 55.803 -33.351 1.00 0.00 O ATOM 916 OE2 GLU A 56 34.425 55.888 -34.515 1.00 0.00 O ATOM 0 H GLU A 56 36.667 60.184 -32.428 1.00 0.00 H new ATOM 0 HA GLU A 56 37.309 57.983 -32.438 1.00 0.00 H new ATOM 0 HB2 GLU A 56 37.712 58.547 -35.393 1.00 0.00 H new ATOM 0 HB3 GLU A 56 37.857 56.953 -34.679 1.00 0.00 H new ATOM 0 HG2 GLU A 56 35.381 58.524 -33.986 1.00 0.00 H new ATOM 0 HG3 GLU A 56 35.493 57.917 -35.626 1.00 0.00 H new ATOM 923 N ALA A 57 40.020 57.733 -33.815 1.00 0.00 N ATOM 924 CA ALA A 57 41.500 57.669 -33.632 1.00 0.00 C ATOM 925 C ALA A 57 42.055 59.082 -33.445 1.00 0.00 C ATOM 926 O ALA A 57 41.516 60.041 -33.956 1.00 0.00 O ATOM 927 CB ALA A 57 42.142 57.026 -34.862 1.00 0.00 C ATOM 0 H ALA A 57 39.646 57.145 -34.560 1.00 0.00 H new ATOM 0 HA ALA A 57 41.729 57.070 -32.750 1.00 0.00 H new ATOM 0 HB1 ALA A 57 43.223 56.980 -34.726 1.00 0.00 H new ATOM 0 HB2 ALA A 57 41.750 56.017 -34.992 1.00 0.00 H new ATOM 0 HB3 ALA A 57 41.912 57.621 -35.746 1.00 0.00 H new ATOM 933 N GLU A 58 43.125 59.220 -32.712 1.00 0.00 N ATOM 934 CA GLU A 58 43.705 60.575 -32.494 1.00 0.00 C ATOM 935 C GLU A 58 44.851 60.485 -31.484 1.00 0.00 C ATOM 936 O GLU A 58 44.856 59.545 -30.706 1.00 0.00 O ATOM 937 CB GLU A 58 42.621 61.511 -31.954 1.00 0.00 C ATOM 938 CG GLU A 58 41.930 60.856 -30.756 1.00 0.00 C ATOM 939 CD GLU A 58 40.726 61.700 -30.336 1.00 0.00 C ATOM 940 OE1 GLU A 58 40.383 62.613 -31.070 1.00 0.00 O ATOM 941 OE2 GLU A 58 40.167 61.420 -29.289 1.00 0.00 O ATOM 942 OXT GLU A 58 45.704 61.357 -31.507 1.00 0.00 O ATOM 0 H GLU A 58 43.622 58.455 -32.255 1.00 0.00 H new ATOM 0 HA GLU A 58 44.085 60.964 -33.439 1.00 0.00 H new ATOM 0 HB2 GLU A 58 43.062 62.462 -31.657 1.00 0.00 H new ATOM 0 HB3 GLU A 58 41.891 61.728 -32.734 1.00 0.00 H new ATOM 0 HG2 GLU A 58 41.608 59.848 -31.016 1.00 0.00 H new ATOM 0 HG3 GLU A 58 42.630 60.763 -29.925 1.00 0.00 H new TER 949 GLU A 58