USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 THR OG1 : rot -70:sc= 1.3 USER MOD Set 1.2: A 57 SER OG : rot -79:sc= 1.22 USER MOD Set 2.1: A 22 THR OG1 : rot -79:sc= 0.829 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.317 K(o=1.1,f=-2.3!) USER MOD Set 3.1: A 7 THR OG1 : rot 131:sc= 1.43 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.987 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 172:sc= 1.1 (180deg=1.01) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 175:sc= 1.15 (180deg=0.977) USER MOD Single : A 12 THR OG1 : rot 170:sc= -0.0111 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0.00728 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0357 USER MOD Single : A 27 LYS NZ :NH3+ -142:sc= 1.52 (180deg=-0.235!) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= 2.07 (180deg=1.78) USER MOD Single : A 31 GLN : amide:sc= -0.959 K(o=-0.96,f=-1.6) USER MOD Single : A 33 LYS NZ :NH3+ 139:sc= 0.872 (180deg=0.102) USER MOD Single : A 40 GLN : amide:sc= 0.635 K(o=0.63,f=-0.36) USER MOD Single : A 41 GLN : amide:sc= 1.17 K(o=1.2,f=-1.9) USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0068) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot 70:sc= 0.209 USER MOD Single : A 60 ASN : amide:sc= -0.195 X(o=-0.19,f=-0.19) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 81:sc= 1.24 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.885 51.712 19.850 1.00 0.00 N ATOM 2 CA MET A 1 33.239 52.186 21.197 1.00 0.00 C ATOM 3 C MET A 1 34.715 52.584 21.269 1.00 0.00 C ATOM 4 O MET A 1 35.445 52.415 20.296 1.00 0.00 O ATOM 5 CB MET A 1 32.844 51.174 22.268 1.00 0.00 C ATOM 6 CG MET A 1 33.489 49.798 22.119 1.00 0.00 C ATOM 7 SD MET A 1 32.903 48.566 23.309 1.00 0.00 S ATOM 8 CE MET A 1 33.926 47.159 22.809 1.00 0.00 C ATOM 0 H1 MET A 1 31.921 51.323 19.861 1.00 0.00 H new ATOM 0 H2 MET A 1 32.930 52.506 19.180 1.00 0.00 H new ATOM 0 H3 MET A 1 33.554 50.972 19.555 1.00 0.00 H new ATOM 0 HA MET A 1 32.662 53.087 21.404 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.107 51.579 23.245 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.761 51.055 22.254 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.302 49.429 21.110 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.569 49.903 22.225 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.698 46.300 23.441 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.718 46.910 21.768 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.979 47.418 22.916 1.00 0.00 H new ATOM 20 N GLN A 2 35.179 53.091 22.408 1.00 0.00 N ATOM 21 CA GLN A 2 36.550 53.497 22.647 1.00 0.00 C ATOM 22 C GLN A 2 37.152 52.748 23.837 1.00 0.00 C ATOM 23 O GLN A 2 36.440 52.354 24.758 1.00 0.00 O ATOM 24 CB GLN A 2 36.577 55.015 22.808 1.00 0.00 C ATOM 25 CG GLN A 2 37.956 55.635 22.605 1.00 0.00 C ATOM 26 CD GLN A 2 37.905 57.163 22.642 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.825 57.837 21.617 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.943 57.767 23.826 1.00 0.00 N ATOM 0 H GLN A 2 34.580 53.234 23.221 1.00 0.00 H new ATOM 0 HA GLN A 2 37.181 53.232 21.799 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.882 55.458 22.095 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.218 55.271 23.805 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.633 55.275 23.380 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.364 55.308 21.648 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.009 57.212 24.680 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.906 58.785 23.881 1.00 0.00 H new ATOM 37 N ILE A 3 38.467 52.556 23.831 1.00 0.00 N ATOM 38 CA ILE A 3 39.234 52.006 24.931 1.00 0.00 C ATOM 39 C ILE A 3 40.505 52.821 25.179 1.00 0.00 C ATOM 40 O ILE A 3 40.999 53.507 24.287 1.00 0.00 O ATOM 41 CB ILE A 3 39.571 50.531 24.731 1.00 0.00 C ATOM 42 CG1 ILE A 3 40.341 50.278 23.437 1.00 0.00 C ATOM 43 CG2 ILE A 3 38.321 49.664 24.847 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.979 48.897 23.333 1.00 0.00 C ATOM 0 H ILE A 3 39.046 52.790 23.025 1.00 0.00 H new ATOM 0 HA ILE A 3 38.600 52.072 25.815 1.00 0.00 H new ATOM 0 HB ILE A 3 40.245 50.239 25.536 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.663 50.414 22.595 1.00 0.00 H new ATOM 0 HG13 ILE A 3 41.122 51.032 23.342 1.00 0.00 H new ATOM 0 HG21 ILE A 3 38.589 48.618 24.700 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.881 49.791 25.836 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.599 49.963 24.087 1.00 0.00 H new ATOM 0 HD11 ILE A 3 41.504 48.809 22.382 1.00 0.00 H new ATOM 0 HD12 ILE A 3 41.686 48.760 24.151 1.00 0.00 H new ATOM 0 HD13 ILE A 3 40.204 48.133 23.392 1.00 0.00 H new ATOM 56 N PHE A 4 41.062 52.685 26.379 1.00 0.00 N ATOM 57 CA PHE A 4 42.402 53.134 26.697 1.00 0.00 C ATOM 58 C PHE A 4 43.378 51.960 26.611 1.00 0.00 C ATOM 59 O PHE A 4 43.083 50.873 27.105 1.00 0.00 O ATOM 60 CB PHE A 4 42.441 53.768 28.086 1.00 0.00 C ATOM 61 CG PHE A 4 41.425 54.854 28.345 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.704 56.181 27.996 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.220 54.543 28.986 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.778 57.191 28.282 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.294 55.552 29.276 1.00 0.00 C ATOM 66 CZ PHE A 4 39.573 56.877 28.923 1.00 0.00 C ATOM 0 H PHE A 4 40.581 52.251 27.167 1.00 0.00 H new ATOM 0 HA PHE A 4 42.701 53.892 25.973 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.300 52.981 28.827 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.436 54.183 28.247 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.635 56.426 27.506 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.004 53.520 29.258 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.993 58.213 28.008 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.366 55.308 29.771 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.860 57.657 29.145 1.00 0.00 H new ATOM 76 N VAL A 5 44.551 52.167 26.022 1.00 0.00 N ATOM 77 CA VAL A 5 45.642 51.213 25.983 1.00 0.00 C ATOM 78 C VAL A 5 46.873 51.832 26.649 1.00 0.00 C ATOM 79 O VAL A 5 47.244 52.957 26.318 1.00 0.00 O ATOM 80 CB VAL A 5 45.917 50.737 24.559 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.066 49.734 24.505 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.697 50.065 23.936 1.00 0.00 C ATOM 0 H VAL A 5 44.771 53.039 25.541 1.00 0.00 H new ATOM 0 HA VAL A 5 45.366 50.320 26.543 1.00 0.00 H new ATOM 0 HB VAL A 5 46.176 51.636 23.999 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.228 49.421 23.473 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.973 50.199 24.890 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.818 48.864 25.113 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.937 49.742 22.923 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.413 49.200 24.535 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.868 50.773 23.904 1.00 0.00 H new ATOM 92 N LYS A 6 47.493 51.113 27.580 1.00 0.00 N ATOM 93 CA LYS A 6 48.670 51.546 28.304 1.00 0.00 C ATOM 94 C LYS A 6 49.880 50.620 28.162 1.00 0.00 C ATOM 95 O LYS A 6 49.740 49.412 27.990 1.00 0.00 O ATOM 96 CB LYS A 6 48.355 51.789 29.777 1.00 0.00 C ATOM 97 CG LYS A 6 47.354 52.918 30.005 1.00 0.00 C ATOM 98 CD LYS A 6 47.513 53.498 31.408 1.00 0.00 C ATOM 99 CE LYS A 6 46.477 54.585 31.681 1.00 0.00 C ATOM 100 NZ LYS A 6 46.830 55.364 32.879 1.00 0.00 N ATOM 0 H LYS A 6 47.175 50.184 27.856 1.00 0.00 H new ATOM 0 HA LYS A 6 48.958 52.486 27.834 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.961 50.871 30.213 1.00 0.00 H new ATOM 0 HB3 LYS A 6 49.280 52.021 30.305 1.00 0.00 H new ATOM 0 HG2 LYS A 6 47.505 53.701 29.262 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.339 52.544 29.873 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.411 52.702 32.146 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.515 53.911 31.521 1.00 0.00 H new ATOM 0 HE2 LYS A 6 46.406 55.249 30.819 1.00 0.00 H new ATOM 0 HE3 LYS A 6 45.495 54.131 31.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 46.109 56.096 33.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 46.874 54.732 33.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.756 55.815 32.739 1.00 0.00 H new ATOM 114 N THR A 7 51.071 51.200 28.276 1.00 0.00 N ATOM 115 CA THR A 7 52.349 50.517 28.294 1.00 0.00 C ATOM 116 C THR A 7 52.919 50.333 29.702 1.00 0.00 C ATOM 117 O THR A 7 52.583 51.054 30.639 1.00 0.00 O ATOM 118 CB THR A 7 53.384 51.240 27.436 1.00 0.00 C ATOM 119 OG1 THR A 7 53.713 52.487 28.006 1.00 0.00 O ATOM 120 CG2 THR A 7 52.926 51.495 26.003 1.00 0.00 C ATOM 0 H THR A 7 51.170 52.212 28.362 1.00 0.00 H new ATOM 0 HA THR A 7 52.147 49.529 27.880 1.00 0.00 H new ATOM 0 HB THR A 7 54.245 50.572 27.405 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.688 52.582 28.044 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.714 52.012 25.456 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.709 50.544 25.516 1.00 0.00 H new ATOM 0 HG23 THR A 7 52.027 52.111 26.013 1.00 0.00 H new ATOM 128 N LEU A 8 53.885 49.431 29.847 1.00 0.00 N ATOM 129 CA LEU A 8 54.718 49.271 31.021 1.00 0.00 C ATOM 130 C LEU A 8 55.588 50.497 31.311 1.00 0.00 C ATOM 131 O LEU A 8 56.024 50.686 32.445 1.00 0.00 O ATOM 132 CB LEU A 8 55.588 48.031 30.829 1.00 0.00 C ATOM 133 CG LEU A 8 54.838 46.705 30.753 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.815 45.591 30.389 1.00 0.00 C ATOM 135 CD2 LEU A 8 54.169 46.323 32.071 1.00 0.00 C ATOM 0 H LEU A 8 54.114 48.763 29.111 1.00 0.00 H new ATOM 0 HA LEU A 8 54.066 49.156 31.887 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.167 48.153 29.914 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.301 47.978 31.652 1.00 0.00 H new ATOM 0 HG LEU A 8 54.062 46.829 29.998 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.281 44.642 30.334 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.270 45.808 29.423 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.593 45.526 31.150 1.00 0.00 H new ATOM 0 HD21 LEU A 8 53.652 45.371 31.954 1.00 0.00 H new ATOM 0 HD22 LEU A 8 54.926 46.231 32.850 1.00 0.00 H new ATOM 0 HD23 LEU A 8 53.451 47.094 32.352 1.00 0.00 H new ATOM 147 N THR A 9 55.804 51.359 30.323 1.00 0.00 N ATOM 148 CA THR A 9 56.407 52.672 30.444 1.00 0.00 C ATOM 149 C THR A 9 55.420 53.773 30.836 1.00 0.00 C ATOM 150 O THR A 9 55.799 54.939 30.922 1.00 0.00 O ATOM 151 CB THR A 9 57.176 53.033 29.176 1.00 0.00 C ATOM 152 OG1 THR A 9 56.392 52.795 28.029 1.00 0.00 O ATOM 153 CG2 THR A 9 58.439 52.188 29.036 1.00 0.00 C ATOM 0 H THR A 9 55.545 51.142 29.360 1.00 0.00 H new ATOM 0 HA THR A 9 57.110 52.608 31.274 1.00 0.00 H new ATOM 0 HB THR A 9 57.432 54.089 29.258 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.903 53.035 27.228 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.965 52.468 28.123 1.00 0.00 H new ATOM 0 HG22 THR A 9 59.088 52.358 29.895 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.168 51.133 28.989 1.00 0.00 H new ATOM 161 N GLY A 10 54.155 53.449 31.093 1.00 0.00 N ATOM 162 CA GLY A 10 53.129 54.366 31.544 1.00 0.00 C ATOM 163 C GLY A 10 52.499 55.242 30.460 1.00 0.00 C ATOM 164 O GLY A 10 51.607 56.033 30.759 1.00 0.00 O ATOM 0 H GLY A 10 53.809 52.496 30.986 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.338 53.790 32.025 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.558 55.016 32.307 1.00 0.00 H new ATOM 168 N LYS A 11 52.939 55.111 29.211 1.00 0.00 N ATOM 169 CA LYS A 11 52.417 55.842 28.074 1.00 0.00 C ATOM 170 C LYS A 11 50.999 55.367 27.749 1.00 0.00 C ATOM 171 O LYS A 11 50.731 54.168 27.793 1.00 0.00 O ATOM 172 CB LYS A 11 53.361 55.691 26.885 1.00 0.00 C ATOM 173 CG LYS A 11 53.063 56.707 25.787 1.00 0.00 C ATOM 174 CD LYS A 11 54.009 56.590 24.594 1.00 0.00 C ATOM 175 CE LYS A 11 53.725 55.328 23.784 1.00 0.00 C ATOM 176 NZ LYS A 11 54.704 55.156 22.701 1.00 0.00 N ATOM 0 H LYS A 11 53.693 54.471 28.961 1.00 0.00 H new ATOM 0 HA LYS A 11 52.356 56.903 28.314 1.00 0.00 H new ATOM 0 HB2 LYS A 11 54.391 55.812 27.222 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.275 54.683 26.479 1.00 0.00 H new ATOM 0 HG2 LYS A 11 52.037 56.573 25.445 1.00 0.00 H new ATOM 0 HG3 LYS A 11 53.132 57.713 26.202 1.00 0.00 H new ATOM 0 HD2 LYS A 11 53.902 57.467 23.955 1.00 0.00 H new ATOM 0 HD3 LYS A 11 55.041 56.575 24.945 1.00 0.00 H new ATOM 0 HE2 LYS A 11 53.750 54.459 24.441 1.00 0.00 H new ATOM 0 HE3 LYS A 11 52.721 55.381 23.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.536 54.248 22.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.604 55.932 22.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 55.665 55.166 23.097 1.00 0.00 H new ATOM 190 N THR A 12 50.121 56.303 27.398 1.00 0.00 N ATOM 191 CA THR A 12 48.705 56.072 27.195 1.00 0.00 C ATOM 192 C THR A 12 48.277 56.500 25.790 1.00 0.00 C ATOM 193 O THR A 12 48.705 57.538 25.291 1.00 0.00 O ATOM 194 CB THR A 12 47.891 56.782 28.274 1.00 0.00 C ATOM 195 OG1 THR A 12 48.310 56.327 29.540 1.00 0.00 O ATOM 196 CG2 THR A 12 46.391 56.519 28.187 1.00 0.00 C ATOM 0 H THR A 12 50.391 57.274 27.243 1.00 0.00 H new ATOM 0 HA THR A 12 48.511 55.003 27.280 1.00 0.00 H new ATOM 0 HB THR A 12 48.061 57.848 28.124 1.00 0.00 H new ATOM 0 HG1 THR A 12 47.912 56.888 30.238 1.00 0.00 H new ATOM 0 HG21 THR A 12 45.880 57.057 28.986 1.00 0.00 H new ATOM 0 HG22 THR A 12 46.017 56.862 27.222 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.202 55.450 28.291 1.00 0.00 H new ATOM 204 N ILE A 13 47.424 55.698 25.159 1.00 0.00 N ATOM 205 CA ILE A 13 46.876 55.908 23.834 1.00 0.00 C ATOM 206 C ILE A 13 45.413 55.463 23.807 1.00 0.00 C ATOM 207 O ILE A 13 45.047 54.442 24.383 1.00 0.00 O ATOM 208 CB ILE A 13 47.768 55.269 22.774 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.148 55.190 21.382 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.393 53.934 23.172 1.00 0.00 C ATOM 211 CD1 ILE A 13 46.329 53.945 21.053 1.00 0.00 C ATOM 0 H ILE A 13 47.081 54.838 25.587 1.00 0.00 H new ATOM 0 HA ILE A 13 46.868 56.969 23.583 1.00 0.00 H new ATOM 0 HB ILE A 13 48.588 55.984 22.713 1.00 0.00 H new ATOM 0 HG12 ILE A 13 46.507 56.061 21.248 1.00 0.00 H new ATOM 0 HG13 ILE A 13 47.951 55.269 20.649 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.008 53.562 22.353 1.00 0.00 H new ATOM 0 HG22 ILE A 13 49.013 54.072 24.058 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.604 53.214 23.390 1.00 0.00 H new ATOM 0 HD11 ILE A 13 45.948 54.019 20.035 1.00 0.00 H new ATOM 0 HD12 ILE A 13 46.960 53.061 21.141 1.00 0.00 H new ATOM 0 HD13 ILE A 13 45.493 53.865 21.748 1.00 0.00 H new ATOM 223 N THR A 14 44.551 56.231 23.147 1.00 0.00 N ATOM 224 CA THR A 14 43.151 55.918 22.940 1.00 0.00 C ATOM 225 C THR A 14 42.913 55.210 21.604 1.00 0.00 C ATOM 226 O THR A 14 43.429 55.639 20.575 1.00 0.00 O ATOM 227 CB THR A 14 42.255 57.148 23.043 1.00 0.00 C ATOM 228 OG1 THR A 14 42.809 58.272 22.394 1.00 0.00 O ATOM 229 CG2 THR A 14 42.037 57.538 24.503 1.00 0.00 C ATOM 0 H THR A 14 44.824 57.120 22.728 1.00 0.00 H new ATOM 0 HA THR A 14 42.880 55.237 23.746 1.00 0.00 H new ATOM 0 HB THR A 14 41.316 56.873 22.562 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.200 59.035 22.484 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.395 58.418 24.553 1.00 0.00 H new ATOM 0 HG22 THR A 14 41.563 56.712 25.033 1.00 0.00 H new ATOM 0 HG23 THR A 14 42.997 57.763 24.967 1.00 0.00 H new ATOM 237 N LEU A 15 42.119 54.143 21.620 1.00 0.00 N ATOM 238 CA LEU A 15 41.836 53.309 20.468 1.00 0.00 C ATOM 239 C LEU A 15 40.331 53.172 20.228 1.00 0.00 C ATOM 240 O LEU A 15 39.581 52.998 21.187 1.00 0.00 O ATOM 241 CB LEU A 15 42.498 51.951 20.678 1.00 0.00 C ATOM 242 CG LEU A 15 42.930 51.249 19.393 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.243 51.823 18.867 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.164 49.767 19.665 1.00 0.00 C ATOM 0 H LEU A 15 41.642 53.829 22.465 1.00 0.00 H new ATOM 0 HA LEU A 15 42.245 53.776 19.572 1.00 0.00 H new ATOM 0 HB2 LEU A 15 43.372 52.082 21.316 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.805 51.303 21.215 1.00 0.00 H new ATOM 0 HG LEU A 15 42.137 51.397 18.660 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.526 51.304 17.951 1.00 0.00 H new ATOM 0 HD12 LEU A 15 44.118 52.885 18.658 1.00 0.00 H new ATOM 0 HD13 LEU A 15 45.024 51.690 19.616 1.00 0.00 H new ATOM 0 HD21 LEU A 15 43.472 49.272 18.744 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.945 49.654 20.416 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.242 49.314 20.029 1.00 0.00 H new ATOM 256 N GLU A 16 39.886 53.201 18.975 1.00 0.00 N ATOM 257 CA GLU A 16 38.511 52.925 18.609 1.00 0.00 C ATOM 258 C GLU A 16 38.320 51.459 18.216 1.00 0.00 C ATOM 259 O GLU A 16 39.009 50.937 17.341 1.00 0.00 O ATOM 260 CB GLU A 16 38.021 53.860 17.507 1.00 0.00 C ATOM 261 CG GLU A 16 37.867 55.301 17.984 1.00 0.00 C ATOM 262 CD GLU A 16 37.262 56.218 16.919 1.00 0.00 C ATOM 263 OE1 GLU A 16 37.161 55.836 15.734 1.00 0.00 O ATOM 264 OE2 GLU A 16 36.914 57.373 17.245 1.00 0.00 O ATOM 0 H GLU A 16 40.484 53.421 18.178 1.00 0.00 H new ATOM 0 HA GLU A 16 37.900 53.114 19.492 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.722 53.831 16.673 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.063 53.501 17.131 1.00 0.00 H new ATOM 0 HG2 GLU A 16 37.236 55.319 18.873 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.843 55.688 18.278 1.00 0.00 H new ATOM 271 N VAL A 17 37.392 50.781 18.884 1.00 0.00 N ATOM 272 CA VAL A 17 37.172 49.351 18.790 1.00 0.00 C ATOM 273 C VAL A 17 35.686 48.990 18.796 1.00 0.00 C ATOM 274 O VAL A 17 34.850 49.746 19.286 1.00 0.00 O ATOM 275 CB VAL A 17 37.906 48.587 19.889 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.418 48.783 19.825 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.423 48.948 21.290 1.00 0.00 C ATOM 0 H VAL A 17 36.749 51.237 19.531 1.00 0.00 H new ATOM 0 HA VAL A 17 37.585 49.047 17.829 1.00 0.00 H new ATOM 0 HB VAL A 17 37.672 47.539 19.699 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.892 48.219 20.628 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.790 48.429 18.864 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.653 49.841 19.938 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.982 48.372 22.027 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.579 50.012 21.466 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.361 48.718 21.379 1.00 0.00 H new ATOM 287 N GLU A 18 35.361 47.803 18.292 1.00 0.00 N ATOM 288 CA GLU A 18 34.016 47.266 18.243 1.00 0.00 C ATOM 289 C GLU A 18 33.953 45.878 18.884 1.00 0.00 C ATOM 290 O GLU A 18 34.958 45.170 18.869 1.00 0.00 O ATOM 291 CB GLU A 18 33.535 47.216 16.795 1.00 0.00 C ATOM 292 CG GLU A 18 33.433 48.575 16.110 1.00 0.00 C ATOM 293 CD GLU A 18 32.293 49.442 16.651 1.00 0.00 C ATOM 294 OE1 GLU A 18 31.121 49.084 16.408 1.00 0.00 O ATOM 295 OE2 GLU A 18 32.551 50.510 17.248 1.00 0.00 O ATOM 0 H GLU A 18 36.056 47.171 17.894 1.00 0.00 H new ATOM 0 HA GLU A 18 33.358 47.921 18.814 1.00 0.00 H new ATOM 0 HB2 GLU A 18 34.215 46.586 16.222 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.557 46.736 16.768 1.00 0.00 H new ATOM 0 HG2 GLU A 18 34.376 49.108 16.234 1.00 0.00 H new ATOM 0 HG3 GLU A 18 33.290 48.425 15.040 1.00 0.00 H new ATOM 302 N PRO A 19 32.818 45.428 19.413 1.00 0.00 N ATOM 303 CA PRO A 19 32.714 44.156 20.097 1.00 0.00 C ATOM 304 C PRO A 19 33.142 42.921 19.301 1.00 0.00 C ATOM 305 O PRO A 19 33.505 41.903 19.886 1.00 0.00 O ATOM 306 CB PRO A 19 31.252 44.037 20.520 1.00 0.00 C ATOM 307 CG PRO A 19 30.814 45.490 20.680 1.00 0.00 C ATOM 308 CD PRO A 19 31.583 46.171 19.552 1.00 0.00 C ATOM 0 HA PRO A 19 33.419 44.164 20.929 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.657 43.518 19.769 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.147 43.480 21.451 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.736 45.607 20.569 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.080 45.892 21.658 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.011 46.156 18.624 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.780 47.217 19.788 1.00 0.00 H new ATOM 316 N SER A 20 33.106 43.001 17.974 1.00 0.00 N ATOM 317 CA SER A 20 33.531 41.978 17.040 1.00 0.00 C ATOM 318 C SER A 20 35.026 41.974 16.717 1.00 0.00 C ATOM 319 O SER A 20 35.488 41.039 16.066 1.00 0.00 O ATOM 320 CB SER A 20 32.722 42.107 15.753 1.00 0.00 C ATOM 321 OG SER A 20 32.659 43.442 15.301 1.00 0.00 O ATOM 0 H SER A 20 32.757 43.834 17.500 1.00 0.00 H new ATOM 0 HA SER A 20 33.345 41.025 17.536 1.00 0.00 H new ATOM 0 HB2 SER A 20 33.169 41.483 14.979 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.712 41.733 15.920 1.00 0.00 H new ATOM 0 HG SER A 20 32.134 43.483 14.474 1.00 0.00 H new ATOM 327 N ASP A 21 35.796 42.972 17.142 1.00 0.00 N ATOM 328 CA ASP A 21 37.205 43.062 16.820 1.00 0.00 C ATOM 329 C ASP A 21 37.975 41.895 17.440 1.00 0.00 C ATOM 330 O ASP A 21 37.878 41.651 18.641 1.00 0.00 O ATOM 331 CB ASP A 21 37.809 44.379 17.302 1.00 0.00 C ATOM 332 CG ASP A 21 37.362 45.632 16.547 1.00 0.00 C ATOM 333 OD1 ASP A 21 37.754 46.742 16.969 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.693 45.544 15.496 1.00 0.00 O ATOM 0 H ASP A 21 35.454 43.739 17.720 1.00 0.00 H new ATOM 0 HA ASP A 21 37.290 43.019 15.734 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.563 44.506 18.356 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.894 44.305 17.235 1.00 0.00 H new ATOM 339 N THR A 22 38.792 41.207 16.647 1.00 0.00 N ATOM 340 CA THR A 22 39.717 40.210 17.146 1.00 0.00 C ATOM 341 C THR A 22 40.890 40.863 17.880 1.00 0.00 C ATOM 342 O THR A 22 41.164 42.050 17.716 1.00 0.00 O ATOM 343 CB THR A 22 40.258 39.272 16.070 1.00 0.00 C ATOM 344 OG1 THR A 22 41.102 39.983 15.193 1.00 0.00 O ATOM 345 CG2 THR A 22 39.164 38.589 15.255 1.00 0.00 C ATOM 0 H THR A 22 38.826 41.331 15.635 1.00 0.00 H new ATOM 0 HA THR A 22 39.132 39.603 17.837 1.00 0.00 H new ATOM 0 HB THR A 22 40.808 38.491 16.595 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.558 40.489 14.554 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.619 37.937 14.509 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.533 37.997 15.918 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.557 39.344 14.755 1.00 0.00 H new ATOM 353 N ILE A 23 41.629 40.091 18.673 1.00 0.00 N ATOM 354 CA ILE A 23 42.870 40.557 19.259 1.00 0.00 C ATOM 355 C ILE A 23 43.852 40.987 18.167 1.00 0.00 C ATOM 356 O ILE A 23 44.523 42.005 18.323 1.00 0.00 O ATOM 357 CB ILE A 23 43.401 39.516 20.240 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.864 39.701 21.655 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.922 39.470 20.350 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.353 39.543 21.810 1.00 0.00 C ATOM 0 H ILE A 23 41.382 39.133 18.922 1.00 0.00 H new ATOM 0 HA ILE A 23 42.704 41.457 19.851 1.00 0.00 H new ATOM 0 HB ILE A 23 43.042 38.581 19.808 1.00 0.00 H new ATOM 0 HG12 ILE A 23 43.356 38.981 22.309 1.00 0.00 H new ATOM 0 HG13 ILE A 23 43.146 40.694 22.005 1.00 0.00 H new ATOM 0 HG21 ILE A 23 45.212 38.703 21.068 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.350 39.235 19.376 1.00 0.00 H new ATOM 0 HG23 ILE A 23 45.292 40.439 20.685 1.00 0.00 H new ATOM 0 HD11 ILE A 23 41.077 39.694 22.853 1.00 0.00 H new ATOM 0 HD12 ILE A 23 40.844 40.281 21.189 1.00 0.00 H new ATOM 0 HD13 ILE A 23 41.058 38.541 21.498 1.00 0.00 H new ATOM 372 N GLU A 24 43.892 40.323 17.016 1.00 0.00 N ATOM 373 CA GLU A 24 44.744 40.713 15.911 1.00 0.00 C ATOM 374 C GLU A 24 44.265 41.962 15.168 1.00 0.00 C ATOM 375 O GLU A 24 45.091 42.732 14.680 1.00 0.00 O ATOM 376 CB GLU A 24 44.975 39.523 14.985 1.00 0.00 C ATOM 377 CG GLU A 24 46.209 39.724 14.110 1.00 0.00 C ATOM 378 CD GLU A 24 46.496 38.518 13.215 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.412 38.660 11.976 1.00 0.00 O ATOM 380 OE2 GLU A 24 46.849 37.437 13.735 1.00 0.00 O ATOM 0 H GLU A 24 43.328 39.494 16.828 1.00 0.00 H new ATOM 0 HA GLU A 24 45.704 41.011 16.333 1.00 0.00 H new ATOM 0 HB2 GLU A 24 45.093 38.617 15.579 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.099 39.378 14.352 1.00 0.00 H new ATOM 0 HG2 GLU A 24 46.069 40.608 13.488 1.00 0.00 H new ATOM 0 HG3 GLU A 24 47.074 39.914 14.746 1.00 0.00 H new ATOM 387 N ASN A 25 42.967 42.250 15.132 1.00 0.00 N ATOM 388 CA ASN A 25 42.474 43.538 14.687 1.00 0.00 C ATOM 389 C ASN A 25 42.912 44.667 15.621 1.00 0.00 C ATOM 390 O ASN A 25 43.378 45.700 15.144 1.00 0.00 O ATOM 391 CB ASN A 25 40.955 43.538 14.538 1.00 0.00 C ATOM 392 CG ASN A 25 40.414 42.739 13.351 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.530 41.897 13.493 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.865 43.021 12.133 1.00 0.00 N ATOM 0 H ASN A 25 42.235 41.597 15.410 1.00 0.00 H new ATOM 0 HA ASN A 25 42.915 43.718 13.706 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.517 43.139 15.453 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.616 44.570 14.445 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.478 42.539 11.322 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.599 43.719 12.010 1.00 0.00 H new ATOM 401 N VAL A 26 42.839 44.480 16.935 1.00 0.00 N ATOM 402 CA VAL A 26 43.267 45.483 17.889 1.00 0.00 C ATOM 403 C VAL A 26 44.779 45.710 17.819 1.00 0.00 C ATOM 404 O VAL A 26 45.212 46.859 17.769 1.00 0.00 O ATOM 405 CB VAL A 26 42.768 45.152 19.292 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.338 46.066 20.373 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.252 45.320 19.335 1.00 0.00 C ATOM 0 H VAL A 26 42.480 43.626 17.363 1.00 0.00 H new ATOM 0 HA VAL A 26 42.810 46.435 17.619 1.00 0.00 H new ATOM 0 HB VAL A 26 43.091 44.131 19.494 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.940 45.773 21.344 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.425 45.981 20.385 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.057 47.098 20.162 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.888 45.085 20.335 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.993 46.349 19.087 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.791 44.646 18.613 1.00 0.00 H new ATOM 417 N LYS A 27 45.581 44.658 17.679 1.00 0.00 N ATOM 418 CA LYS A 27 47.004 44.766 17.423 1.00 0.00 C ATOM 419 C LYS A 27 47.320 45.531 16.137 1.00 0.00 C ATOM 420 O LYS A 27 48.239 46.347 16.123 1.00 0.00 O ATOM 421 CB LYS A 27 47.639 43.378 17.393 1.00 0.00 C ATOM 422 CG LYS A 27 47.698 42.679 18.748 1.00 0.00 C ATOM 423 CD LYS A 27 48.141 41.228 18.588 1.00 0.00 C ATOM 424 CE LYS A 27 48.283 40.545 19.946 1.00 0.00 C ATOM 425 NZ LYS A 27 48.721 39.149 19.792 1.00 0.00 N ATOM 0 H LYS A 27 45.250 43.695 17.742 1.00 0.00 H new ATOM 0 HA LYS A 27 47.433 45.344 18.241 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.079 42.751 16.699 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.651 43.464 16.999 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.391 43.206 19.404 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.718 42.715 19.224 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.416 40.688 17.980 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.092 41.191 18.057 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.002 41.090 20.557 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.329 40.574 20.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.237 38.554 20.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.487 38.815 18.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.749 39.090 19.938 1.00 0.00 H new ATOM 439 N ALA A 28 46.562 45.325 15.062 1.00 0.00 N ATOM 440 CA ALA A 28 46.736 46.037 13.813 1.00 0.00 C ATOM 441 C ALA A 28 46.280 47.496 13.866 1.00 0.00 C ATOM 442 O ALA A 28 46.887 48.355 13.229 1.00 0.00 O ATOM 443 CB ALA A 28 46.025 45.248 12.717 1.00 0.00 C ATOM 0 H ALA A 28 45.800 44.647 15.041 1.00 0.00 H new ATOM 0 HA ALA A 28 47.802 46.103 13.597 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.141 45.764 11.764 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.460 44.251 12.646 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.965 45.165 12.958 1.00 0.00 H new ATOM 449 N LYS A 29 45.282 47.839 14.675 1.00 0.00 N ATOM 450 CA LYS A 29 44.920 49.213 14.955 1.00 0.00 C ATOM 451 C LYS A 29 46.001 49.928 15.766 1.00 0.00 C ATOM 452 O LYS A 29 46.330 51.077 15.479 1.00 0.00 O ATOM 453 CB LYS A 29 43.573 49.259 15.672 1.00 0.00 C ATOM 454 CG LYS A 29 42.397 48.942 14.754 1.00 0.00 C ATOM 455 CD LYS A 29 41.104 48.936 15.565 1.00 0.00 C ATOM 456 CE LYS A 29 39.892 48.748 14.658 1.00 0.00 C ATOM 457 NZ LYS A 29 38.643 48.811 15.433 1.00 0.00 N ATOM 0 H LYS A 29 44.698 47.157 15.158 1.00 0.00 H new ATOM 0 HA LYS A 29 44.832 49.743 14.007 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.583 48.548 16.498 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.432 50.249 16.105 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.335 49.682 13.956 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.545 47.973 14.278 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.138 48.135 16.304 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.010 49.873 16.114 1.00 0.00 H new ATOM 0 HE2 LYS A 29 39.886 49.519 13.887 1.00 0.00 H new ATOM 0 HE3 LYS A 29 39.960 47.787 14.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.844 48.987 14.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.496 47.909 15.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.704 49.582 16.128 1.00 0.00 H new ATOM 471 N ILE A 30 46.611 49.238 16.727 1.00 0.00 N ATOM 472 CA ILE A 30 47.777 49.701 17.451 1.00 0.00 C ATOM 473 C ILE A 30 48.967 49.904 16.510 1.00 0.00 C ATOM 474 O ILE A 30 49.667 50.906 16.641 1.00 0.00 O ATOM 475 CB ILE A 30 48.078 48.760 18.614 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.004 48.908 19.688 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.462 48.983 19.217 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.999 47.798 20.734 1.00 0.00 C ATOM 0 H ILE A 30 46.293 48.316 17.027 1.00 0.00 H new ATOM 0 HA ILE A 30 47.570 50.681 17.881 1.00 0.00 H new ATOM 0 HB ILE A 30 48.071 47.745 18.216 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.142 49.865 20.192 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.027 48.940 19.205 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.617 48.285 20.039 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.222 48.819 18.453 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.536 50.005 19.590 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.205 47.983 21.457 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.829 46.839 20.246 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.960 47.778 21.248 1.00 0.00 H new ATOM 490 N GLN A 31 49.174 49.047 15.514 1.00 0.00 N ATOM 491 CA GLN A 31 50.221 49.186 14.523 1.00 0.00 C ATOM 492 C GLN A 31 50.138 50.498 13.740 1.00 0.00 C ATOM 493 O GLN A 31 51.173 51.079 13.418 1.00 0.00 O ATOM 494 CB GLN A 31 50.179 47.976 13.595 1.00 0.00 C ATOM 495 CG GLN A 31 51.352 47.886 12.622 1.00 0.00 C ATOM 496 CD GLN A 31 51.279 46.650 11.723 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.269 45.964 11.592 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.392 46.281 11.094 1.00 0.00 N ATOM 0 H GLN A 31 48.599 48.216 15.376 1.00 0.00 H new ATOM 0 HA GLN A 31 51.179 49.224 15.042 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.155 47.070 14.200 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.251 48.003 13.024 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.373 48.781 12.001 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.285 47.866 13.185 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.241 46.838 11.191 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.396 45.441 10.515 1.00 0.00 H new ATOM 507 N ASP A 32 48.947 51.033 13.491 1.00 0.00 N ATOM 508 CA ASP A 32 48.786 52.299 12.805 1.00 0.00 C ATOM 509 C ASP A 32 49.129 53.524 13.655 1.00 0.00 C ATOM 510 O ASP A 32 49.466 54.571 13.107 1.00 0.00 O ATOM 511 CB ASP A 32 47.370 52.397 12.245 1.00 0.00 C ATOM 512 CG ASP A 32 47.253 53.470 11.160 1.00 0.00 C ATOM 513 OD1 ASP A 32 47.985 53.396 10.149 1.00 0.00 O ATOM 514 OD2 ASP A 32 46.396 54.370 11.290 1.00 0.00 O ATOM 0 H ASP A 32 48.067 50.595 13.762 1.00 0.00 H new ATOM 0 HA ASP A 32 49.513 52.310 11.993 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.076 51.432 11.833 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.675 52.623 13.054 1.00 0.00 H new ATOM 519 N LYS A 33 49.088 53.414 14.979 1.00 0.00 N ATOM 520 CA LYS A 33 49.389 54.489 15.903 1.00 0.00 C ATOM 521 C LYS A 33 50.793 54.413 16.509 1.00 0.00 C ATOM 522 O LYS A 33 51.450 55.443 16.640 1.00 0.00 O ATOM 523 CB LYS A 33 48.301 54.559 16.970 1.00 0.00 C ATOM 524 CG LYS A 33 47.067 55.290 16.447 1.00 0.00 C ATOM 525 CD LYS A 33 45.966 55.396 17.496 1.00 0.00 C ATOM 526 CE LYS A 33 44.847 56.286 16.961 1.00 0.00 C ATOM 527 NZ LYS A 33 43.682 56.323 17.859 1.00 0.00 N ATOM 0 H LYS A 33 48.836 52.544 15.448 1.00 0.00 H new ATOM 0 HA LYS A 33 49.394 55.418 15.333 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.026 53.551 17.281 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.685 55.071 17.852 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.352 56.290 16.121 1.00 0.00 H new ATOM 0 HG3 LYS A 33 46.682 54.767 15.572 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.577 54.406 17.734 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.367 55.811 18.421 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.227 57.298 16.821 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.536 55.924 15.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.316 57.295 17.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 42.940 55.693 17.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 43.965 56.007 18.808 1.00 0.00 H new ATOM 541 N GLU A 34 51.266 53.214 16.839 1.00 0.00 N ATOM 542 CA GLU A 34 52.516 52.949 17.523 1.00 0.00 C ATOM 543 C GLU A 34 53.587 52.295 16.647 1.00 0.00 C ATOM 544 O GLU A 34 54.755 52.276 17.029 1.00 0.00 O ATOM 545 CB GLU A 34 52.233 52.060 18.731 1.00 0.00 C ATOM 546 CG GLU A 34 51.654 52.811 19.928 1.00 0.00 C ATOM 547 CD GLU A 34 52.720 53.686 20.591 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.563 54.925 20.636 1.00 0.00 O ATOM 549 OE2 GLU A 34 53.754 53.150 21.044 1.00 0.00 O ATOM 0 H GLU A 34 50.755 52.358 16.622 1.00 0.00 H new ATOM 0 HA GLU A 34 52.923 53.916 17.819 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.538 51.274 18.437 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.158 51.570 19.034 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.819 53.431 19.604 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.260 52.099 20.653 1.00 0.00 H new ATOM 556 N GLY A 35 53.235 51.740 15.492 1.00 0.00 N ATOM 557 CA GLY A 35 54.170 51.133 14.566 1.00 0.00 C ATOM 558 C GLY A 35 54.704 49.749 14.941 1.00 0.00 C ATOM 559 O GLY A 35 55.574 49.242 14.235 1.00 0.00 O ATOM 0 H GLY A 35 52.268 51.702 15.171 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.686 51.059 13.592 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.020 51.806 14.449 1.00 0.00 H new ATOM 563 N ILE A 36 54.222 49.123 16.011 1.00 0.00 N ATOM 564 CA ILE A 36 54.680 47.826 16.466 1.00 0.00 C ATOM 565 C ILE A 36 54.020 46.711 15.653 1.00 0.00 C ATOM 566 O ILE A 36 52.792 46.647 15.642 1.00 0.00 O ATOM 567 CB ILE A 36 54.437 47.642 17.962 1.00 0.00 C ATOM 568 CG1 ILE A 36 54.992 48.770 18.829 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.989 46.304 18.443 1.00 0.00 C ATOM 570 CD1 ILE A 36 56.488 49.040 18.696 1.00 0.00 C ATOM 0 H ILE A 36 53.485 49.518 16.595 1.00 0.00 H new ATOM 0 HA ILE A 36 55.757 47.772 16.306 1.00 0.00 H new ATOM 0 HB ILE A 36 53.354 47.664 18.081 1.00 0.00 H new ATOM 0 HG12 ILE A 36 54.454 49.687 18.586 1.00 0.00 H new ATOM 0 HG13 ILE A 36 54.776 48.540 19.872 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.803 46.197 19.512 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.497 45.493 17.906 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.062 46.264 18.255 1.00 0.00 H new ATOM 0 HD11 ILE A 36 56.770 49.860 19.357 1.00 0.00 H new ATOM 0 HD12 ILE A 36 57.045 48.144 18.971 1.00 0.00 H new ATOM 0 HD13 ILE A 36 56.719 49.309 17.665 1.00 0.00 H new ATOM 582 N PRO A 37 54.756 45.801 15.022 1.00 0.00 N ATOM 583 CA PRO A 37 54.180 44.692 14.291 1.00 0.00 C ATOM 584 C PRO A 37 53.353 43.746 15.164 1.00 0.00 C ATOM 585 O PRO A 37 53.839 43.327 16.212 1.00 0.00 O ATOM 586 CB PRO A 37 55.353 43.963 13.642 1.00 0.00 C ATOM 587 CG PRO A 37 56.422 45.043 13.514 1.00 0.00 C ATOM 588 CD PRO A 37 56.183 45.863 14.779 1.00 0.00 C ATOM 0 HA PRO A 37 53.470 45.066 13.554 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.696 43.130 14.256 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.081 43.552 12.670 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.427 44.623 13.482 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.297 45.639 12.610 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.742 45.455 15.621 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.513 46.893 14.646 1.00 0.00 H new ATOM 596 N PRO A 38 52.149 43.346 14.761 1.00 0.00 N ATOM 597 CA PRO A 38 51.290 42.453 15.513 1.00 0.00 C ATOM 598 C PRO A 38 51.916 41.123 15.937 1.00 0.00 C ATOM 599 O PRO A 38 51.534 40.585 16.973 1.00 0.00 O ATOM 600 CB PRO A 38 50.077 42.204 14.620 1.00 0.00 C ATOM 601 CG PRO A 38 49.936 43.533 13.883 1.00 0.00 C ATOM 602 CD PRO A 38 51.394 43.931 13.673 1.00 0.00 C ATOM 0 HA PRO A 38 51.052 42.931 16.463 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.242 41.374 13.933 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.186 41.965 15.201 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.403 43.422 12.939 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.392 44.271 14.472 1.00 0.00 H new ATOM 0 HD2 PRO A 38 51.759 43.570 12.711 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.502 45.016 13.667 1.00 0.00 H new ATOM 610 N ASP A 39 52.898 40.605 15.205 1.00 0.00 N ATOM 611 CA ASP A 39 53.563 39.361 15.533 1.00 0.00 C ATOM 612 C ASP A 39 54.382 39.430 16.823 1.00 0.00 C ATOM 613 O ASP A 39 54.564 38.396 17.463 1.00 0.00 O ATOM 614 CB ASP A 39 54.414 38.878 14.361 1.00 0.00 C ATOM 615 CG ASP A 39 55.459 39.910 13.930 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.633 39.804 14.345 1.00 0.00 O ATOM 617 OD2 ASP A 39 55.089 40.813 13.149 1.00 0.00 O ATOM 0 H ASP A 39 53.254 41.048 14.358 1.00 0.00 H new ATOM 0 HA ASP A 39 52.776 38.631 15.720 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.916 37.951 14.639 1.00 0.00 H new ATOM 0 HB3 ASP A 39 53.765 38.648 13.516 1.00 0.00 H new ATOM 622 N GLN A 40 54.796 40.619 17.250 1.00 0.00 N ATOM 623 CA GLN A 40 55.479 40.829 18.510 1.00 0.00 C ATOM 624 C GLN A 40 54.633 41.536 19.570 1.00 0.00 C ATOM 625 O GLN A 40 55.190 42.015 20.555 1.00 0.00 O ATOM 626 CB GLN A 40 56.871 41.414 18.290 1.00 0.00 C ATOM 627 CG GLN A 40 56.917 42.904 17.965 1.00 0.00 C ATOM 628 CD GLN A 40 58.284 43.313 17.413 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.421 43.628 16.233 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.349 43.299 18.211 1.00 0.00 N ATOM 0 H GLN A 40 54.661 41.477 16.715 1.00 0.00 H new ATOM 0 HA GLN A 40 55.636 39.848 18.959 1.00 0.00 H new ATOM 0 HB2 GLN A 40 57.465 41.238 19.187 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.350 40.868 17.477 1.00 0.00 H new ATOM 0 HG2 GLN A 40 56.142 43.143 17.236 1.00 0.00 H new ATOM 0 HG3 GLN A 40 56.698 43.481 18.864 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.248 43.039 19.192 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.266 43.548 17.841 1.00 0.00 H new ATOM 639 N GLN A 41 53.311 41.591 19.424 1.00 0.00 N ATOM 640 CA GLN A 41 52.403 42.145 20.407 1.00 0.00 C ATOM 641 C GLN A 41 51.666 41.070 21.208 1.00 0.00 C ATOM 642 O GLN A 41 51.307 40.023 20.672 1.00 0.00 O ATOM 643 CB GLN A 41 51.370 43.053 19.747 1.00 0.00 C ATOM 644 CG GLN A 41 51.885 44.339 19.108 1.00 0.00 C ATOM 645 CD GLN A 41 50.726 45.210 18.619 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.720 45.386 19.302 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.768 45.770 17.413 1.00 0.00 N ATOM 0 H GLN A 41 52.836 41.240 18.593 1.00 0.00 H new ATOM 0 HA GLN A 41 53.025 42.718 21.094 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.854 42.477 18.979 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.627 43.322 20.498 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.482 44.895 19.831 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.541 44.097 18.272 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.588 45.644 16.820 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.980 46.326 17.081 1.00 0.00 H new ATOM 656 N ARG A 42 51.325 41.386 22.455 1.00 0.00 N ATOM 657 CA ARG A 42 50.402 40.703 23.339 1.00 0.00 C ATOM 658 C ARG A 42 49.423 41.710 23.949 1.00 0.00 C ATOM 659 O ARG A 42 49.821 42.844 24.210 1.00 0.00 O ATOM 660 CB ARG A 42 51.133 40.032 24.497 1.00 0.00 C ATOM 661 CG ARG A 42 52.312 39.119 24.173 1.00 0.00 C ATOM 662 CD ARG A 42 52.923 38.663 25.495 1.00 0.00 C ATOM 663 NE ARG A 42 54.101 37.810 25.336 1.00 0.00 N ATOM 664 CZ ARG A 42 54.136 36.473 25.240 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.045 35.709 25.086 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.309 35.831 25.310 1.00 0.00 N ATOM 0 H ARG A 42 51.730 42.205 22.908 1.00 0.00 H new ATOM 0 HA ARG A 42 49.883 39.953 22.743 1.00 0.00 H new ATOM 0 HB2 ARG A 42 51.492 40.816 25.163 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.403 39.447 25.057 1.00 0.00 H new ATOM 0 HG2 ARG A 42 51.981 38.261 23.588 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.052 39.648 23.572 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.197 39.541 26.080 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.168 38.122 26.066 1.00 0.00 H new ATOM 0 HE ARG A 42 55.001 38.288 25.293 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.123 36.141 25.036 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.137 34.695 25.019 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.173 36.359 25.436 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.339 34.814 25.237 1.00 0.00 H new ATOM 680 N LEU A 43 48.193 41.302 24.244 1.00 0.00 N ATOM 681 CA LEU A 43 47.194 42.108 24.916 1.00 0.00 C ATOM 682 C LEU A 43 46.681 41.451 26.199 1.00 0.00 C ATOM 683 O LEU A 43 46.485 40.239 26.248 1.00 0.00 O ATOM 684 CB LEU A 43 46.049 42.434 23.960 1.00 0.00 C ATOM 685 CG LEU A 43 46.428 43.229 22.715 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.200 43.423 21.829 1.00 0.00 C ATOM 687 CD2 LEU A 43 46.980 44.614 23.042 1.00 0.00 C ATOM 0 H LEU A 43 47.858 40.367 24.011 1.00 0.00 H new ATOM 0 HA LEU A 43 47.671 43.040 25.219 1.00 0.00 H new ATOM 0 HB2 LEU A 43 45.588 41.498 23.644 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.291 42.994 24.508 1.00 0.00 H new ATOM 0 HG LEU A 43 47.204 42.653 22.210 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.478 43.992 20.942 1.00 0.00 H new ATOM 0 HD12 LEU A 43 44.810 42.450 21.529 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.434 43.966 22.383 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.232 45.133 22.117 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.228 45.186 23.586 1.00 0.00 H new ATOM 0 HD23 LEU A 43 47.874 44.513 23.657 1.00 0.00 H new ATOM 699 N ILE A 44 46.458 42.268 27.225 1.00 0.00 N ATOM 700 CA ILE A 44 45.998 41.886 28.545 1.00 0.00 C ATOM 701 C ILE A 44 44.769 42.701 28.950 1.00 0.00 C ATOM 702 O ILE A 44 44.738 43.916 28.769 1.00 0.00 O ATOM 703 CB ILE A 44 47.142 42.001 29.549 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.154 40.879 29.333 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.676 42.003 31.003 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.454 41.013 30.120 1.00 0.00 C ATOM 0 H ILE A 44 46.604 43.274 27.146 1.00 0.00 H new ATOM 0 HA ILE A 44 45.683 40.843 28.531 1.00 0.00 H new ATOM 0 HB ILE A 44 47.610 42.968 29.366 1.00 0.00 H new ATOM 0 HG12 ILE A 44 47.684 39.932 29.598 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.395 40.829 28.271 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.540 42.087 31.662 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.009 42.848 31.170 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.146 41.075 31.217 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.104 40.167 29.896 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.955 41.939 29.840 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.233 41.029 31.187 1.00 0.00 H new ATOM 718 N PHE A 45 43.786 42.040 29.558 1.00 0.00 N ATOM 719 CA PHE A 45 42.648 42.661 30.205 1.00 0.00 C ATOM 720 C PHE A 45 42.271 41.954 31.508 1.00 0.00 C ATOM 721 O PHE A 45 42.273 40.727 31.575 1.00 0.00 O ATOM 722 CB PHE A 45 41.442 42.703 29.270 1.00 0.00 C ATOM 723 CG PHE A 45 40.277 43.440 29.886 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.338 44.832 30.012 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.200 42.739 30.442 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.347 45.522 30.722 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.194 43.432 31.125 1.00 0.00 C ATOM 728 CZ PHE A 45 38.268 44.822 31.274 1.00 0.00 C ATOM 0 H PHE A 45 43.766 41.022 29.612 1.00 0.00 H new ATOM 0 HA PHE A 45 42.945 43.681 30.450 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.724 43.187 28.335 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.138 41.686 29.023 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.153 45.377 29.560 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.146 41.665 30.344 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.415 46.593 30.843 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.356 42.891 31.539 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.496 45.352 31.812 1.00 0.00 H new ATOM 738 N ALA A 46 41.917 42.715 32.540 1.00 0.00 N ATOM 739 CA ALA A 46 41.560 42.234 33.859 1.00 0.00 C ATOM 740 C ALA A 46 42.535 41.195 34.415 1.00 0.00 C ATOM 741 O ALA A 46 42.134 40.156 34.937 1.00 0.00 O ATOM 742 CB ALA A 46 40.094 41.808 33.865 1.00 0.00 C ATOM 0 H ALA A 46 41.871 43.732 32.469 1.00 0.00 H new ATOM 0 HA ALA A 46 41.660 43.054 34.570 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.824 41.446 34.857 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.466 42.661 33.607 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.943 41.013 33.135 1.00 0.00 H new ATOM 748 N GLY A 47 43.832 41.438 34.244 1.00 0.00 N ATOM 749 CA GLY A 47 44.913 40.567 34.661 1.00 0.00 C ATOM 750 C GLY A 47 45.172 39.330 33.800 1.00 0.00 C ATOM 751 O GLY A 47 46.150 38.636 34.067 1.00 0.00 O ATOM 0 H GLY A 47 44.167 42.288 33.790 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.830 41.156 34.695 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.709 40.236 35.679 1.00 0.00 H new ATOM 755 N LYS A 48 44.353 39.035 32.794 1.00 0.00 N ATOM 756 CA LYS A 48 44.433 37.848 31.968 1.00 0.00 C ATOM 757 C LYS A 48 44.958 38.151 30.564 1.00 0.00 C ATOM 758 O LYS A 48 44.699 39.218 30.012 1.00 0.00 O ATOM 759 CB LYS A 48 43.065 37.176 31.895 1.00 0.00 C ATOM 760 CG LYS A 48 42.659 36.524 33.215 1.00 0.00 C ATOM 761 CD LYS A 48 41.227 36.000 33.143 1.00 0.00 C ATOM 762 CE LYS A 48 40.814 35.180 34.362 1.00 0.00 C ATOM 763 NZ LYS A 48 40.983 35.922 35.622 1.00 0.00 N ATOM 0 H LYS A 48 43.583 39.648 32.526 1.00 0.00 H new ATOM 0 HA LYS A 48 45.148 37.169 32.433 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.316 37.916 31.614 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.077 36.420 31.110 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.340 35.704 33.445 1.00 0.00 H new ATOM 0 HG3 LYS A 48 42.746 37.248 34.025 1.00 0.00 H new ATOM 0 HD2 LYS A 48 40.545 36.844 33.035 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.118 35.386 32.249 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.771 34.879 34.258 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.407 34.266 34.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 40.658 35.335 36.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 41.987 36.158 35.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 40.424 36.798 35.587 1.00 0.00 H new ATOM 777 N GLN A 49 45.695 37.207 29.985 1.00 0.00 N ATOM 778 CA GLN A 49 46.220 37.287 28.636 1.00 0.00 C ATOM 779 C GLN A 49 45.151 36.924 27.603 1.00 0.00 C ATOM 780 O GLN A 49 44.407 35.964 27.797 1.00 0.00 O ATOM 781 CB GLN A 49 47.443 36.388 28.493 1.00 0.00 C ATOM 782 CG GLN A 49 48.597 36.805 29.399 1.00 0.00 C ATOM 783 CD GLN A 49 49.869 36.005 29.111 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.502 36.157 28.068 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.299 35.110 29.996 1.00 0.00 N ATOM 0 H GLN A 49 45.948 36.341 30.461 1.00 0.00 H new ATOM 0 HA GLN A 49 46.522 38.317 28.447 1.00 0.00 H new ATOM 0 HB2 GLN A 49 47.161 35.360 28.723 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.779 36.402 27.456 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.799 37.868 29.264 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.309 36.665 30.441 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.788 34.969 30.868 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.139 34.565 29.803 1.00 0.00 H new ATOM 794 N LEU A 50 45.084 37.663 26.500 1.00 0.00 N ATOM 795 CA LEU A 50 44.093 37.499 25.456 1.00 0.00 C ATOM 796 C LEU A 50 44.691 36.867 24.197 1.00 0.00 C ATOM 797 O LEU A 50 45.886 37.006 23.947 1.00 0.00 O ATOM 798 CB LEU A 50 43.434 38.842 25.153 1.00 0.00 C ATOM 799 CG LEU A 50 42.982 39.690 26.339 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.300 40.950 25.812 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.026 38.959 27.276 1.00 0.00 C ATOM 0 H LEU A 50 45.743 38.417 26.307 1.00 0.00 H new ATOM 0 HA LEU A 50 43.328 36.809 25.813 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.134 39.434 24.564 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.565 38.655 24.523 1.00 0.00 H new ATOM 0 HG LEU A 50 43.872 39.930 26.921 1.00 0.00 H new ATOM 0 HD11 LEU A 50 41.972 41.564 26.651 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.003 41.516 25.201 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.437 40.671 25.208 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.745 39.619 28.096 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.133 38.663 26.726 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.516 38.072 27.676 1.00 0.00 H new ATOM 813 N GLU A 51 43.888 36.168 23.399 1.00 0.00 N ATOM 814 CA GLU A 51 44.328 35.350 22.286 1.00 0.00 C ATOM 815 C GLU A 51 43.815 35.815 20.922 1.00 0.00 C ATOM 816 O GLU A 51 42.645 36.157 20.766 1.00 0.00 O ATOM 817 CB GLU A 51 43.917 33.898 22.516 1.00 0.00 C ATOM 818 CG GLU A 51 44.613 33.273 23.722 1.00 0.00 C ATOM 819 CD GLU A 51 44.212 31.805 23.884 1.00 0.00 C ATOM 820 OE1 GLU A 51 45.049 30.915 23.618 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.069 31.537 24.311 1.00 0.00 O ATOM 0 H GLU A 51 42.875 36.159 23.520 1.00 0.00 H new ATOM 0 HA GLU A 51 45.413 35.449 22.254 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.838 33.848 22.659 1.00 0.00 H new ATOM 0 HB3 GLU A 51 44.148 33.314 21.625 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.694 33.348 23.602 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.353 33.827 24.624 1.00 0.00 H new ATOM 828 N ASP A 52 44.668 35.767 19.903 1.00 0.00 N ATOM 829 CA ASP A 52 44.423 36.276 18.568 1.00 0.00 C ATOM 830 C ASP A 52 43.234 35.667 17.820 1.00 0.00 C ATOM 831 O ASP A 52 42.661 36.342 16.969 1.00 0.00 O ATOM 832 CB ASP A 52 45.695 36.140 17.736 1.00 0.00 C ATOM 833 CG ASP A 52 46.828 36.986 18.320 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.133 38.076 17.790 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.440 36.569 19.328 1.00 0.00 O ATOM 0 H ASP A 52 45.594 35.350 19.997 1.00 0.00 H new ATOM 0 HA ASP A 52 44.142 37.320 18.709 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.999 35.094 17.700 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.497 36.450 16.710 1.00 0.00 H new ATOM 840 N GLY A 53 42.816 34.449 18.153 1.00 0.00 N ATOM 841 CA GLY A 53 41.630 33.831 17.596 1.00 0.00 C ATOM 842 C GLY A 53 40.299 34.349 18.143 1.00 0.00 C ATOM 843 O GLY A 53 39.255 33.980 17.609 1.00 0.00 O ATOM 0 H GLY A 53 43.303 33.860 18.828 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.640 33.975 16.516 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.683 32.757 17.775 1.00 0.00 H new ATOM 847 N ARG A 54 40.318 35.159 19.198 1.00 0.00 N ATOM 848 CA ARG A 54 39.171 35.580 19.977 1.00 0.00 C ATOM 849 C ARG A 54 38.914 37.085 19.863 1.00 0.00 C ATOM 850 O ARG A 54 39.743 37.829 19.344 1.00 0.00 O ATOM 851 CB ARG A 54 39.363 35.132 21.423 1.00 0.00 C ATOM 852 CG ARG A 54 39.756 33.672 21.631 1.00 0.00 C ATOM 853 CD ARG A 54 38.796 32.643 21.041 1.00 0.00 C ATOM 854 NE ARG A 54 37.484 32.660 21.688 1.00 0.00 N ATOM 855 CZ ARG A 54 37.188 32.167 22.898 1.00 0.00 C ATOM 856 NH1 ARG A 54 38.079 31.517 23.659 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.949 32.326 23.384 1.00 0.00 N ATOM 0 H ARG A 54 41.189 35.559 19.548 1.00 0.00 H new ATOM 0 HA ARG A 54 38.276 35.104 19.576 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.129 35.761 21.877 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.436 35.317 21.965 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.743 33.514 21.196 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.846 33.487 22.701 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.674 32.835 19.975 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.231 31.648 21.137 1.00 0.00 H new ATOM 0 HE ARG A 54 36.720 33.089 21.167 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.032 31.379 23.323 1.00 0.00 H new ATOM 0 HH12 ARG A 54 37.804 31.160 24.574 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.245 32.818 22.834 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.711 31.955 24.304 1.00 0.00 H new ATOM 871 N THR A 55 37.759 37.535 20.344 1.00 0.00 N ATOM 872 CA THR A 55 37.240 38.881 20.203 1.00 0.00 C ATOM 873 C THR A 55 36.978 39.593 21.532 1.00 0.00 C ATOM 874 O THR A 55 36.917 38.955 22.580 1.00 0.00 O ATOM 875 CB THR A 55 35.957 38.893 19.377 1.00 0.00 C ATOM 876 OG1 THR A 55 34.930 38.188 20.037 1.00 0.00 O ATOM 877 CG2 THR A 55 36.105 38.283 17.986 1.00 0.00 C ATOM 0 H THR A 55 37.128 36.931 20.872 1.00 0.00 H new ATOM 0 HA THR A 55 38.029 39.431 19.691 1.00 0.00 H new ATOM 0 HB THR A 55 35.713 39.949 19.263 1.00 0.00 H new ATOM 0 HG1 THR A 55 35.134 37.230 20.029 1.00 0.00 H new ATOM 0 HG21 THR A 55 35.149 38.330 17.464 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.854 38.840 17.422 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.418 37.243 18.076 1.00 0.00 H new ATOM 885 N LEU A 56 36.753 40.903 21.503 1.00 0.00 N ATOM 886 CA LEU A 56 36.345 41.655 22.673 1.00 0.00 C ATOM 887 C LEU A 56 35.084 41.087 23.329 1.00 0.00 C ATOM 888 O LEU A 56 35.032 40.984 24.553 1.00 0.00 O ATOM 889 CB LEU A 56 36.129 43.125 22.323 1.00 0.00 C ATOM 890 CG LEU A 56 37.363 43.906 21.881 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.026 45.392 21.780 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.545 43.788 22.839 1.00 0.00 C ATOM 0 H LEU A 56 36.850 41.470 20.661 1.00 0.00 H new ATOM 0 HA LEU A 56 37.157 41.568 23.395 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.386 43.181 21.527 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.702 43.624 23.193 1.00 0.00 H new ATOM 0 HG LEU A 56 37.650 43.474 20.922 1.00 0.00 H new ATOM 0 HD11 LEU A 56 37.911 45.945 21.464 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.229 45.536 21.051 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.698 45.758 22.753 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.383 44.370 22.456 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.258 44.167 23.820 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.840 42.742 22.926 1.00 0.00 H new ATOM 904 N SER A 57 34.098 40.671 22.541 1.00 0.00 N ATOM 905 CA SER A 57 32.879 40.068 23.039 1.00 0.00 C ATOM 906 C SER A 57 33.041 38.644 23.577 1.00 0.00 C ATOM 907 O SER A 57 32.269 38.274 24.460 1.00 0.00 O ATOM 908 CB SER A 57 31.750 40.159 22.018 1.00 0.00 C ATOM 909 OG SER A 57 32.129 39.712 20.735 1.00 0.00 O ATOM 0 H SER A 57 34.129 40.747 21.524 1.00 0.00 H new ATOM 0 HA SER A 57 32.607 40.665 23.909 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.903 39.568 22.367 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.411 41.193 21.951 1.00 0.00 H new ATOM 0 HG SER A 57 32.634 40.417 20.279 1.00 0.00 H new ATOM 915 N ASP A 58 34.044 37.870 23.175 1.00 0.00 N ATOM 916 CA ASP A 58 34.392 36.631 23.844 1.00 0.00 C ATOM 917 C ASP A 58 34.845 36.876 25.285 1.00 0.00 C ATOM 918 O ASP A 58 34.468 36.139 26.194 1.00 0.00 O ATOM 919 CB ASP A 58 35.534 35.900 23.146 1.00 0.00 C ATOM 920 CG ASP A 58 35.145 35.245 21.819 1.00 0.00 C ATOM 921 OD1 ASP A 58 34.500 34.175 21.836 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.557 35.763 20.757 1.00 0.00 O ATOM 0 H ASP A 58 34.637 38.089 22.374 1.00 0.00 H new ATOM 0 HA ASP A 58 33.484 36.028 23.818 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.345 36.606 22.965 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.922 35.133 23.816 1.00 0.00 H new ATOM 927 N TYR A 59 35.634 37.924 25.497 1.00 0.00 N ATOM 928 CA TYR A 59 36.197 38.284 26.783 1.00 0.00 C ATOM 929 C TYR A 59 35.323 39.241 27.596 1.00 0.00 C ATOM 930 O TYR A 59 35.743 39.658 28.673 1.00 0.00 O ATOM 931 CB TYR A 59 37.612 38.822 26.584 1.00 0.00 C ATOM 932 CG TYR A 59 38.589 37.807 26.043 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.890 36.669 26.801 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.226 38.023 24.815 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.833 35.741 26.344 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.173 37.104 24.349 1.00 0.00 C ATOM 937 CZ TYR A 59 40.478 35.957 25.110 1.00 0.00 C ATOM 938 OH TYR A 59 41.411 35.073 24.652 1.00 0.00 O ATOM 0 H TYR A 59 35.905 38.564 24.750 1.00 0.00 H new ATOM 0 HA TYR A 59 36.238 37.378 27.387 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.573 39.672 25.902 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.984 39.196 27.538 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.391 36.506 27.745 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.987 38.898 24.228 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.065 34.866 26.933 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.671 37.274 23.406 1.00 0.00 H new ATOM 0 HH TYR A 59 40.971 34.235 24.397 1.00 0.00 H new ATOM 948 N ASN A 60 34.126 39.587 27.131 1.00 0.00 N ATOM 949 CA ASN A 60 33.216 40.508 27.782 1.00 0.00 C ATOM 950 C ASN A 60 33.824 41.887 28.040 1.00 0.00 C ATOM 951 O ASN A 60 33.593 42.492 29.085 1.00 0.00 O ATOM 952 CB ASN A 60 32.581 39.821 28.987 1.00 0.00 C ATOM 953 CG ASN A 60 31.420 40.610 29.596 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.476 41.083 30.729 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.326 40.753 28.854 1.00 0.00 N ATOM 0 H ASN A 60 33.755 39.216 26.256 1.00 0.00 H new ATOM 0 HA ASN A 60 32.401 40.754 27.101 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.223 38.836 28.687 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.344 39.664 29.750 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.522 41.260 29.224 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.291 40.356 27.915 1.00 0.00 H new ATOM 962 N ILE A 61 34.628 42.395 27.111 1.00 0.00 N ATOM 963 CA ILE A 61 35.247 43.702 27.203 1.00 0.00 C ATOM 964 C ILE A 61 34.283 44.736 26.616 1.00 0.00 C ATOM 965 O ILE A 61 33.964 44.680 25.429 1.00 0.00 O ATOM 966 CB ILE A 61 36.614 43.710 26.525 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.535 42.677 27.170 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.238 45.100 26.599 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.893 42.508 26.497 1.00 0.00 C ATOM 0 H ILE A 61 34.869 41.894 26.256 1.00 0.00 H new ATOM 0 HA ILE A 61 35.435 43.961 28.245 1.00 0.00 H new ATOM 0 HB ILE A 61 36.481 43.447 25.476 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.696 42.957 28.211 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.027 41.713 27.174 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.212 45.088 26.111 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.589 45.817 26.096 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.359 45.389 27.643 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.472 41.753 27.029 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.750 42.193 25.463 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.429 43.457 26.517 1.00 0.00 H new ATOM 981 N GLN A 62 33.800 45.656 27.444 1.00 0.00 N ATOM 982 CA GLN A 62 32.815 46.661 27.097 1.00 0.00 C ATOM 983 C GLN A 62 33.420 48.066 27.063 1.00 0.00 C ATOM 984 O GLN A 62 34.590 48.256 27.385 1.00 0.00 O ATOM 985 CB GLN A 62 31.616 46.531 28.033 1.00 0.00 C ATOM 986 CG GLN A 62 30.885 45.205 27.842 1.00 0.00 C ATOM 987 CD GLN A 62 29.616 45.084 28.686 1.00 0.00 C ATOM 988 OE1 GLN A 62 28.511 45.404 28.250 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.710 44.618 29.928 1.00 0.00 N ATOM 0 H GLN A 62 34.101 45.720 28.417 1.00 0.00 H new ATOM 0 HA GLN A 62 32.460 46.490 26.081 1.00 0.00 H new ATOM 0 HB2 GLN A 62 31.952 46.615 29.067 1.00 0.00 H new ATOM 0 HB3 GLN A 62 30.925 47.355 27.855 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.625 45.090 26.790 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.560 44.387 28.094 1.00 0.00 H new ATOM 0 HE21 GLN A 62 30.619 44.348 30.304 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.873 44.530 30.504 1.00 0.00 H new ATOM 998 N LYS A 63 32.633 49.054 26.649 1.00 0.00 N ATOM 999 CA LYS A 63 33.019 50.434 26.430 1.00 0.00 C ATOM 1000 C LYS A 63 33.852 51.076 27.540 1.00 0.00 C ATOM 1001 O LYS A 63 33.704 50.734 28.712 1.00 0.00 O ATOM 1002 CB LYS A 63 31.778 51.263 26.108 1.00 0.00 C ATOM 1003 CG LYS A 63 30.898 51.712 27.271 1.00 0.00 C ATOM 1004 CD LYS A 63 30.291 50.588 28.106 1.00 0.00 C ATOM 1005 CE LYS A 63 29.326 51.191 29.124 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.754 50.173 30.019 1.00 0.00 N ATOM 0 H LYS A 63 31.646 48.896 26.446 1.00 0.00 H new ATOM 0 HA LYS A 63 33.701 50.420 25.580 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.101 52.154 25.570 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.158 50.685 25.423 1.00 0.00 H new ATOM 0 HG2 LYS A 63 31.490 52.350 27.927 1.00 0.00 H new ATOM 0 HG3 LYS A 63 30.088 52.326 26.876 1.00 0.00 H new ATOM 0 HD2 LYS A 63 29.766 49.882 27.462 1.00 0.00 H new ATOM 0 HD3 LYS A 63 31.077 50.031 28.616 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.849 51.941 29.717 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.521 51.704 28.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.105 50.628 30.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.232 49.470 29.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.519 49.700 30.541 1.00 0.00 H new ATOM 1020 N GLU A 64 34.710 52.028 27.185 1.00 0.00 N ATOM 1021 CA GLU A 64 35.598 52.792 28.037 1.00 0.00 C ATOM 1022 C GLU A 64 36.696 52.020 28.772 1.00 0.00 C ATOM 1023 O GLU A 64 37.495 52.638 29.472 1.00 0.00 O ATOM 1024 CB GLU A 64 34.816 53.689 28.992 1.00 0.00 C ATOM 1025 CG GLU A 64 33.834 54.664 28.348 1.00 0.00 C ATOM 1026 CD GLU A 64 34.543 55.831 27.657 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.508 56.958 28.197 1.00 0.00 O ATOM 1028 OE2 GLU A 64 35.105 55.656 26.554 1.00 0.00 O ATOM 0 H GLU A 64 34.805 52.304 26.208 1.00 0.00 H new ATOM 0 HA GLU A 64 36.157 53.401 27.327 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.264 53.053 29.684 1.00 0.00 H new ATOM 0 HB3 GLU A 64 35.529 54.262 29.585 1.00 0.00 H new ATOM 0 HG2 GLU A 64 33.221 54.132 27.620 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.158 55.052 29.110 1.00 0.00 H new ATOM 1035 N SER A 65 36.780 50.700 28.631 1.00 0.00 N ATOM 1036 CA SER A 65 37.718 49.856 29.342 1.00 0.00 C ATOM 1037 C SER A 65 39.194 50.157 29.073 1.00 0.00 C ATOM 1038 O SER A 65 39.558 50.700 28.032 1.00 0.00 O ATOM 1039 CB SER A 65 37.426 48.386 29.054 1.00 0.00 C ATOM 1040 OG SER A 65 36.138 48.035 29.507 1.00 0.00 O ATOM 0 H SER A 65 36.175 50.178 27.997 1.00 0.00 H new ATOM 0 HA SER A 65 37.563 50.083 30.397 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.504 48.198 27.983 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.172 47.759 29.543 1.00 0.00 H new ATOM 0 HG SER A 65 35.471 48.320 28.848 1.00 0.00 H new ATOM 1046 N THR A 66 40.053 49.778 30.015 1.00 0.00 N ATOM 1047 CA THR A 66 41.493 49.922 29.943 1.00 0.00 C ATOM 1048 C THR A 66 42.170 48.570 29.711 1.00 0.00 C ATOM 1049 O THR A 66 41.963 47.631 30.478 1.00 0.00 O ATOM 1050 CB THR A 66 42.061 50.565 31.205 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.445 51.807 31.461 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.556 50.853 31.104 1.00 0.00 C ATOM 0 H THR A 66 39.745 49.344 30.885 1.00 0.00 H new ATOM 0 HA THR A 66 41.702 50.577 29.097 1.00 0.00 H new ATOM 0 HB THR A 66 41.871 49.842 31.998 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.824 52.199 32.275 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.902 51.310 32.031 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.095 49.921 30.935 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.740 51.534 30.273 1.00 0.00 H new ATOM 1060 N LEU A 67 43.004 48.476 28.679 1.00 0.00 N ATOM 1061 CA LEU A 67 43.778 47.310 28.304 1.00 0.00 C ATOM 1062 C LEU A 67 45.276 47.604 28.413 1.00 0.00 C ATOM 1063 O LEU A 67 45.712 48.743 28.264 1.00 0.00 O ATOM 1064 CB LEU A 67 43.428 46.869 26.886 1.00 0.00 C ATOM 1065 CG LEU A 67 42.119 46.105 26.706 1.00 0.00 C ATOM 1066 CD1 LEU A 67 40.868 46.958 26.890 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.059 45.516 25.299 1.00 0.00 C ATOM 0 H LEU A 67 43.163 49.262 28.049 1.00 0.00 H new ATOM 0 HA LEU A 67 43.532 46.500 28.990 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.393 47.756 26.253 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.240 46.244 26.515 1.00 0.00 H new ATOM 0 HG LEU A 67 42.121 45.340 27.482 1.00 0.00 H new ATOM 0 HD11 LEU A 67 39.982 46.340 26.745 1.00 0.00 H new ATOM 0 HD12 LEU A 67 40.858 47.377 27.896 1.00 0.00 H new ATOM 0 HD13 LEU A 67 40.869 47.767 26.160 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.124 44.971 25.172 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.112 46.320 24.565 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.898 44.836 25.153 1.00 0.00 H new ATOM 1079 N HIS A 68 46.086 46.565 28.603 1.00 0.00 N ATOM 1080 CA HIS A 68 47.530 46.674 28.654 1.00 0.00 C ATOM 1081 C HIS A 68 48.181 46.011 27.439 1.00 0.00 C ATOM 1082 O HIS A 68 47.827 44.892 27.072 1.00 0.00 O ATOM 1083 CB HIS A 68 48.048 46.124 29.979 1.00 0.00 C ATOM 1084 CG HIS A 68 47.587 46.939 31.157 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.999 48.236 31.459 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.659 46.540 32.083 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.320 48.594 32.550 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.514 47.599 32.957 1.00 0.00 N ATOM 0 H HIS A 68 45.746 45.612 28.727 1.00 0.00 H new ATOM 0 HA HIS A 68 47.810 47.726 28.607 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.711 45.094 30.099 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.138 46.103 29.959 1.00 0.00 H new ATOM 0 HD2 HIS A 68 46.146 45.591 32.121 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.406 49.553 33.039 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.901 47.622 33.772 1.00 0.00 H new ATOM 1096 N LEU A 69 49.134 46.709 26.826 1.00 0.00 N ATOM 1097 CA LEU A 69 49.935 46.248 25.711 1.00 0.00 C ATOM 1098 C LEU A 69 51.305 45.783 26.210 1.00 0.00 C ATOM 1099 O LEU A 69 51.992 46.527 26.906 1.00 0.00 O ATOM 1100 CB LEU A 69 50.038 47.388 24.701 1.00 0.00 C ATOM 1101 CG LEU A 69 51.011 47.178 23.545 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.610 46.027 22.628 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.083 48.457 22.716 1.00 0.00 C ATOM 0 H LEU A 69 49.375 47.658 27.113 1.00 0.00 H new ATOM 0 HA LEU A 69 49.474 45.390 25.222 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.046 47.568 24.286 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.330 48.293 25.234 1.00 0.00 H new ATOM 0 HG LEU A 69 51.977 46.928 23.983 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.342 45.929 21.826 1.00 0.00 H new ATOM 0 HD12 LEU A 69 50.574 45.101 23.201 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.628 46.228 22.200 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.777 48.315 21.887 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.094 48.693 22.324 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.430 49.278 23.343 1.00 0.00 H new ATOM 1115 N VAL A 70 51.725 44.582 25.824 1.00 0.00 N ATOM 1116 CA VAL A 70 53.017 44.015 26.156 1.00 0.00 C ATOM 1117 C VAL A 70 53.656 43.443 24.890 1.00 0.00 C ATOM 1118 O VAL A 70 52.972 42.824 24.077 1.00 0.00 O ATOM 1119 CB VAL A 70 52.884 42.955 27.246 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.230 42.346 27.630 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.267 43.526 28.520 1.00 0.00 C ATOM 0 H VAL A 70 51.152 43.960 25.253 1.00 0.00 H new ATOM 0 HA VAL A 70 53.664 44.797 26.552 1.00 0.00 H new ATOM 0 HB VAL A 70 52.237 42.188 26.820 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.082 41.598 28.409 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.679 41.876 26.755 1.00 0.00 H new ATOM 0 HG13 VAL A 70 54.891 43.129 28.001 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.190 42.740 29.271 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.897 44.330 28.900 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.273 43.916 28.300 1.00 0.00 H new ATOM 1131 N LEU A 71 54.959 43.621 24.693 1.00 0.00 N ATOM 1132 CA LEU A 71 55.678 43.087 23.554 1.00 0.00 C ATOM 1133 C LEU A 71 56.219 41.688 23.848 1.00 0.00 C ATOM 1134 O LEU A 71 56.863 41.468 24.871 1.00 0.00 O ATOM 1135 CB LEU A 71 56.758 44.059 23.084 1.00 0.00 C ATOM 1136 CG LEU A 71 56.258 45.111 22.099 1.00 0.00 C ATOM 1137 CD1 LEU A 71 55.197 46.047 22.669 1.00 0.00 C ATOM 1138 CD2 LEU A 71 57.427 45.977 21.643 1.00 0.00 C ATOM 0 H LEU A 71 55.550 44.150 25.335 1.00 0.00 H new ATOM 0 HA LEU A 71 54.979 42.976 22.725 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.183 44.562 23.953 1.00 0.00 H new ATOM 0 HB3 LEU A 71 57.564 43.493 22.617 1.00 0.00 H new ATOM 0 HG LEU A 71 55.805 44.552 21.280 1.00 0.00 H new ATOM 0 HD11 LEU A 71 54.896 46.764 21.905 1.00 0.00 H new ATOM 0 HD12 LEU A 71 54.330 45.466 22.983 1.00 0.00 H new ATOM 0 HD13 LEU A 71 55.606 46.581 23.527 1.00 0.00 H new ATOM 0 HD21 LEU A 71 57.070 46.729 20.939 1.00 0.00 H new ATOM 0 HD22 LEU A 71 57.872 46.471 22.507 1.00 0.00 H new ATOM 0 HD23 LEU A 71 58.175 45.351 21.157 1.00 0.00 H new ATOM 1150 N ARG A 72 55.993 40.762 22.920 1.00 0.00 N ATOM 1151 CA ARG A 72 56.396 39.371 22.954 1.00 0.00 C ATOM 1152 C ARG A 72 57.910 39.196 22.824 1.00 0.00 C ATOM 1153 O ARG A 72 58.479 38.367 23.533 1.00 0.00 O ATOM 1154 CB ARG A 72 55.630 38.611 21.874 1.00 0.00 C ATOM 1155 CG ARG A 72 56.002 37.136 21.746 1.00 0.00 C ATOM 1156 CD ARG A 72 55.294 36.438 20.589 1.00 0.00 C ATOM 1157 NE ARG A 72 53.934 36.003 20.908 1.00 0.00 N ATOM 1158 CZ ARG A 72 52.813 36.256 20.216 1.00 0.00 C ATOM 1159 NH1 ARG A 72 52.744 37.112 19.187 1.00 0.00 N ATOM 1160 NH2 ARG A 72 51.699 35.592 20.549 1.00 0.00 N ATOM 0 H ARG A 72 55.486 40.987 22.064 1.00 0.00 H new ATOM 0 HA ARG A 72 56.145 38.955 23.930 1.00 0.00 H new ATOM 0 HB2 ARG A 72 54.563 38.686 22.084 1.00 0.00 H new ATOM 0 HB3 ARG A 72 55.801 39.099 20.915 1.00 0.00 H new ATOM 0 HG2 ARG A 72 57.080 37.050 21.609 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.757 36.624 22.676 1.00 0.00 H new ATOM 0 HD2 ARG A 72 55.259 37.115 19.735 1.00 0.00 H new ATOM 0 HD3 ARG A 72 55.881 35.571 20.285 1.00 0.00 H new ATOM 0 HE ARG A 72 53.826 35.443 21.754 1.00 0.00 H new ATOM 0 HH11 ARG A 72 53.578 37.618 18.887 1.00 0.00 H new ATOM 0 HH12 ARG A 72 51.858 37.258 18.703 1.00 0.00 H new ATOM 0 HH21 ARG A 72 51.718 34.915 21.311 1.00 0.00 H new ATOM 0 HH22 ARG A 72 50.832 35.764 20.040 1.00 0.00 H new ATOM 1174 N LEU A 73 58.546 39.991 21.968 1.00 0.00 N ATOM 1175 CA LEU A 73 59.984 40.109 21.843 1.00 0.00 C ATOM 1176 C LEU A 73 60.387 41.579 21.713 1.00 0.00 C ATOM 1177 O LEU A 73 59.793 42.319 20.932 1.00 0.00 O ATOM 1178 CB LEU A 73 60.512 39.311 20.654 1.00 0.00 C ATOM 1179 CG LEU A 73 60.510 37.791 20.798 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.029 37.145 19.516 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.398 37.319 21.945 1.00 0.00 C ATOM 0 H LEU A 73 58.045 40.595 21.316 1.00 0.00 H new ATOM 0 HA LEU A 73 60.430 39.694 22.747 1.00 0.00 H new ATOM 0 HB2 LEU A 73 59.918 39.571 19.778 1.00 0.00 H new ATOM 0 HB3 LEU A 73 61.534 39.633 20.454 1.00 0.00 H new ATOM 0 HG LEU A 73 59.480 37.498 21.001 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.024 36.061 19.627 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.388 37.427 18.681 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.046 37.485 19.323 1.00 0.00 H new ATOM 0 HD21 LEU A 73 61.364 36.231 22.008 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.424 37.640 21.767 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.041 37.748 22.882 1.00 0.00 H new ATOM 1193 N ARG A 74 61.394 41.977 22.484 1.00 0.00 N ATOM 1194 CA ARG A 74 62.080 43.250 22.372 1.00 0.00 C ATOM 1195 C ARG A 74 63.543 43.235 22.819 1.00 0.00 C ATOM 1196 O ARG A 74 64.243 44.218 22.581 1.00 0.00 O ATOM 1197 CB ARG A 74 61.309 44.320 23.139 1.00 0.00 C ATOM 1198 CG ARG A 74 61.360 45.662 22.414 1.00 0.00 C ATOM 1199 CD ARG A 74 60.671 46.754 23.229 1.00 0.00 C ATOM 1200 NE ARG A 74 60.372 47.916 22.392 1.00 0.00 N ATOM 1201 CZ ARG A 74 59.498 48.895 22.661 1.00 0.00 C ATOM 1202 NH1 ARG A 74 58.911 49.027 23.858 1.00 0.00 N ATOM 1203 NH2 ARG A 74 59.183 49.759 21.687 1.00 0.00 N ATOM 0 H ARG A 74 61.766 41.394 23.233 1.00 0.00 H new ATOM 0 HA ARG A 74 62.107 43.477 21.306 1.00 0.00 H new ATOM 0 HB2 ARG A 74 60.272 44.008 23.260 1.00 0.00 H new ATOM 0 HB3 ARG A 74 61.728 44.428 24.139 1.00 0.00 H new ATOM 0 HG2 ARG A 74 62.398 45.941 22.231 1.00 0.00 H new ATOM 0 HG3 ARG A 74 60.878 45.571 21.441 1.00 0.00 H new ATOM 0 HD2 ARG A 74 59.749 46.365 23.661 1.00 0.00 H new ATOM 0 HD3 ARG A 74 61.311 47.053 24.059 1.00 0.00 H new ATOM 0 HE ARG A 74 60.882 47.988 21.512 1.00 0.00 H new ATOM 0 HH11 ARG A 74 59.124 48.367 24.606 1.00 0.00 H new ATOM 0 HH12 ARG A 74 58.251 49.787 24.021 1.00 0.00 H new ATOM 0 HH21 ARG A 74 59.606 49.663 20.764 1.00 0.00 H new ATOM 0 HH22 ARG A 74 58.520 50.513 21.868 1.00 0.00 H new ATOM 1217 N GLY A 75 64.013 42.177 23.472 1.00 0.00 N ATOM 1218 CA GLY A 75 65.389 41.973 23.878 1.00 0.00 C ATOM 1219 C GLY A 75 66.171 41.038 22.954 1.00 0.00 C ATOM 1220 O GLY A 75 65.588 40.277 22.185 1.00 0.00 O ATOM 0 H GLY A 75 63.409 41.402 23.744 1.00 0.00 H new ATOM 0 HA2 GLY A 75 65.894 42.938 23.916 1.00 0.00 H new ATOM 0 HA3 GLY A 75 65.404 41.566 24.889 1.00 0.00 H new ATOM 1224 N GLY A 76 67.497 41.105 23.046 1.00 0.00 N ATOM 1225 CA GLY A 76 68.440 40.290 22.307 1.00 0.00 C ATOM 1226 C GLY A 76 68.393 40.459 20.787 1.00 0.00 C ATOM 1227 O GLY A 76 68.305 39.422 20.094 1.00 0.00 O ATOM 1228 OXT GLY A 76 68.458 41.613 20.312 1.00 0.00 O ATOM 0 H GLY A 76 67.960 41.765 23.671 1.00 0.00 H new ATOM 0 HA2 GLY A 76 69.447 40.524 22.652 1.00 0.00 H new ATOM 0 HA3 GLY A 76 68.257 39.243 22.546 1.00 0.00 H new TER 1232 GLY A 76