USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=16 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 -75:sc= 2.1 USER MOD Set 1.2: A 57 SER OG : rot -46:sc= 0.971 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.585 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.581 K(o=1.2,f=-4.5!) USER MOD Single : A 1 MET CE :methyl -167:sc= 0 (180deg=-0.206) USER MOD Single : A 1 MET N :NH3+ 176:sc= 2.41 (180deg=2.35) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0112 USER MOD Single : A 11 LYS NZ :NH3+ 178:sc= 0.977 (180deg=0.935) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0106 USER MOD Single : A 27 LYS NZ :NH3+ -154:sc= 1.58 (180deg=1.19) USER MOD Single : A 29 LYS NZ :NH3+ -168:sc= 0.742 (180deg=0.698) USER MOD Single : A 31 GLN : amide:sc= -0.576 K(o=-0.58,f=-1.4) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 41 GLN : amide:sc= 0.86 K(o=0.86,f=-1.6) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 59 TYR OH : rot 110:sc= 0.256 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0.0458 K(o=0.046,f=-3.1!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -95:sc= 1.26 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0129 X(o=-0.013,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.942 51.534 19.986 1.00 0.00 N ATOM 2 CA MET A 1 33.094 51.913 21.399 1.00 0.00 C ATOM 3 C MET A 1 34.556 52.232 21.718 1.00 0.00 C ATOM 4 O MET A 1 35.458 51.577 21.201 1.00 0.00 O ATOM 5 CB MET A 1 32.520 50.862 22.346 1.00 0.00 C ATOM 6 CG MET A 1 33.248 49.522 22.293 1.00 0.00 C ATOM 7 SD MET A 1 32.533 48.253 23.367 1.00 0.00 S ATOM 8 CE MET A 1 33.736 46.936 23.061 1.00 0.00 C ATOM 0 H1 MET A 1 31.956 51.256 19.805 1.00 0.00 H new ATOM 0 H2 MET A 1 33.190 52.343 19.381 1.00 0.00 H new ATOM 0 H3 MET A 1 33.572 50.735 19.771 1.00 0.00 H new ATOM 0 HA MET A 1 32.509 52.819 21.561 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.558 51.246 23.366 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.469 50.704 22.104 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.244 49.158 21.265 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.290 49.675 22.573 1.00 0.00 H new ATOM 0 HE1 MET A 1 33.350 45.993 23.449 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.909 46.843 21.989 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.674 47.177 23.560 1.00 0.00 H new ATOM 20 N GLN A 2 34.776 53.223 22.578 1.00 0.00 N ATOM 21 CA GLN A 2 36.087 53.668 23.004 1.00 0.00 C ATOM 22 C GLN A 2 36.716 52.707 24.016 1.00 0.00 C ATOM 23 O GLN A 2 36.050 52.283 24.957 1.00 0.00 O ATOM 24 CB GLN A 2 35.966 55.074 23.585 1.00 0.00 C ATOM 25 CG GLN A 2 37.312 55.747 23.841 1.00 0.00 C ATOM 26 CD GLN A 2 37.159 57.048 24.631 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.540 57.091 25.693 1.00 0.00 O ATOM 28 NE2 GLN A 2 37.715 58.165 24.173 1.00 0.00 N ATOM 0 H GLN A 2 34.017 53.752 23.008 1.00 0.00 H new ATOM 0 HA GLN A 2 36.750 53.684 22.139 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.384 55.692 22.901 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.410 55.025 24.521 1.00 0.00 H new ATOM 0 HG2 GLN A 2 37.961 55.064 24.389 1.00 0.00 H new ATOM 0 HG3 GLN A 2 37.800 55.956 22.889 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.233 58.154 23.295 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.623 59.033 24.700 1.00 0.00 H new ATOM 37 N ILE A 3 38.009 52.438 23.860 1.00 0.00 N ATOM 38 CA ILE A 3 38.848 51.700 24.784 1.00 0.00 C ATOM 39 C ILE A 3 40.198 52.391 24.986 1.00 0.00 C ATOM 40 O ILE A 3 40.667 53.105 24.101 1.00 0.00 O ATOM 41 CB ILE A 3 39.037 50.254 24.336 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.801 50.128 23.021 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.700 49.520 24.281 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.126 48.700 22.592 1.00 0.00 C ATOM 0 H ILE A 3 38.524 52.749 23.036 1.00 0.00 H new ATOM 0 HA ILE A 3 38.334 51.685 25.745 1.00 0.00 H new ATOM 0 HB ILE A 3 39.660 49.774 25.090 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.217 50.603 22.233 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.734 50.686 23.106 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.863 48.491 23.959 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.243 49.522 25.270 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.039 50.021 23.574 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.669 48.719 21.647 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.741 48.222 23.355 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.200 48.138 22.468 1.00 0.00 H new ATOM 56 N PHE A 4 40.847 52.146 26.120 1.00 0.00 N ATOM 57 CA PHE A 4 42.184 52.610 26.435 1.00 0.00 C ATOM 58 C PHE A 4 43.191 51.457 26.436 1.00 0.00 C ATOM 59 O PHE A 4 42.872 50.374 26.922 1.00 0.00 O ATOM 60 CB PHE A 4 42.185 53.313 27.790 1.00 0.00 C ATOM 61 CG PHE A 4 41.463 54.639 27.835 1.00 0.00 C ATOM 62 CD1 PHE A 4 42.194 55.831 27.776 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.069 54.683 27.940 1.00 0.00 C ATOM 64 CE1 PHE A 4 41.528 57.063 27.805 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.403 55.915 27.950 1.00 0.00 C ATOM 66 CZ PHE A 4 40.130 57.109 27.875 1.00 0.00 C ATOM 0 H PHE A 4 40.434 51.595 26.873 1.00 0.00 H new ATOM 0 HA PHE A 4 42.488 53.316 25.662 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.733 52.648 28.525 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.219 53.471 28.097 1.00 0.00 H new ATOM 0 HD1 PHE A 4 43.271 55.801 27.708 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.505 53.765 28.014 1.00 0.00 H new ATOM 0 HE1 PHE A 4 42.095 57.982 27.773 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.325 55.944 28.016 1.00 0.00 H new ATOM 0 HZ PHE A 4 39.616 58.059 27.871 1.00 0.00 H new ATOM 76 N VAL A 5 44.412 51.669 25.955 1.00 0.00 N ATOM 77 CA VAL A 5 45.472 50.682 25.977 1.00 0.00 C ATOM 78 C VAL A 5 46.768 51.261 26.548 1.00 0.00 C ATOM 79 O VAL A 5 47.328 52.216 26.015 1.00 0.00 O ATOM 80 CB VAL A 5 45.713 50.046 24.611 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.592 48.808 24.763 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.433 49.605 23.907 1.00 0.00 C ATOM 0 H VAL A 5 44.692 52.553 25.531 1.00 0.00 H new ATOM 0 HA VAL A 5 45.134 49.887 26.641 1.00 0.00 H new ATOM 0 HB VAL A 5 46.189 50.819 24.008 1.00 0.00 H new ATOM 0 HG11 VAL A 5 46.760 48.359 23.784 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.549 49.093 25.201 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.096 48.087 25.413 1.00 0.00 H new ATOM 0 HG21 VAL A 5 44.682 49.162 22.943 1.00 0.00 H new ATOM 0 HG22 VAL A 5 43.915 48.868 24.521 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.786 50.469 23.753 1.00 0.00 H new ATOM 92 N LYS A 6 47.260 50.650 27.622 1.00 0.00 N ATOM 93 CA LYS A 6 48.437 51.034 28.377 1.00 0.00 C ATOM 94 C LYS A 6 49.658 50.191 28.001 1.00 0.00 C ATOM 95 O LYS A 6 49.546 48.998 27.728 1.00 0.00 O ATOM 96 CB LYS A 6 48.070 50.924 29.854 1.00 0.00 C ATOM 97 CG LYS A 6 49.139 51.326 30.866 1.00 0.00 C ATOM 98 CD LYS A 6 49.696 52.741 30.732 1.00 0.00 C ATOM 99 CE LYS A 6 48.650 53.844 30.595 1.00 0.00 C ATOM 100 NZ LYS A 6 47.807 54.002 31.790 1.00 0.00 N ATOM 0 H LYS A 6 46.813 49.819 28.009 1.00 0.00 H new ATOM 0 HA LYS A 6 48.730 52.058 28.144 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.188 51.540 30.031 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.784 49.892 30.056 1.00 0.00 H new ATOM 0 HG2 LYS A 6 48.722 51.215 31.867 1.00 0.00 H new ATOM 0 HG3 LYS A 6 49.968 50.623 30.786 1.00 0.00 H new ATOM 0 HD2 LYS A 6 50.313 52.955 31.605 1.00 0.00 H new ATOM 0 HD3 LYS A 6 50.352 52.775 29.862 1.00 0.00 H new ATOM 0 HE2 LYS A 6 49.154 54.788 30.387 1.00 0.00 H new ATOM 0 HE3 LYS A 6 48.014 53.627 29.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 47.119 54.766 31.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.300 53.113 31.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.405 54.239 32.608 1.00 0.00 H new ATOM 114 N THR A 7 50.832 50.816 28.024 1.00 0.00 N ATOM 115 CA THR A 7 52.119 50.178 27.831 1.00 0.00 C ATOM 116 C THR A 7 53.000 50.382 29.066 1.00 0.00 C ATOM 117 O THR A 7 52.872 51.391 29.757 1.00 0.00 O ATOM 118 CB THR A 7 52.803 50.727 26.581 1.00 0.00 C ATOM 119 OG1 THR A 7 51.903 50.783 25.497 1.00 0.00 O ATOM 120 CG2 THR A 7 53.980 49.880 26.107 1.00 0.00 C ATOM 0 H THR A 7 50.909 51.820 28.184 1.00 0.00 H new ATOM 0 HA THR A 7 51.964 49.108 27.692 1.00 0.00 H new ATOM 0 HB THR A 7 53.158 51.715 26.875 1.00 0.00 H new ATOM 0 HG1 THR A 7 52.363 51.139 24.708 1.00 0.00 H new ATOM 0 HG21 THR A 7 54.417 50.330 25.216 1.00 0.00 H new ATOM 0 HG22 THR A 7 54.732 49.830 26.894 1.00 0.00 H new ATOM 0 HG23 THR A 7 53.633 48.874 25.872 1.00 0.00 H new ATOM 128 N LEU A 8 53.941 49.480 29.330 1.00 0.00 N ATOM 129 CA LEU A 8 54.852 49.519 30.456 1.00 0.00 C ATOM 130 C LEU A 8 55.740 50.763 30.536 1.00 0.00 C ATOM 131 O LEU A 8 56.270 51.079 31.598 1.00 0.00 O ATOM 132 CB LEU A 8 55.723 48.267 30.432 1.00 0.00 C ATOM 133 CG LEU A 8 54.994 46.938 30.607 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.965 45.777 30.409 1.00 0.00 C ATOM 135 CD2 LEU A 8 54.359 46.800 31.988 1.00 0.00 C ATOM 0 H LEU A 8 54.091 48.666 28.733 1.00 0.00 H new ATOM 0 HA LEU A 8 54.224 49.561 31.346 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.260 48.241 29.484 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.471 48.354 31.220 1.00 0.00 H new ATOM 0 HG LEU A 8 54.203 46.915 29.858 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.435 44.833 30.536 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.388 45.823 29.405 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.767 45.844 31.144 1.00 0.00 H new ATOM 0 HD21 LEU A 8 53.853 45.837 32.061 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.134 46.862 32.752 1.00 0.00 H new ATOM 0 HD23 LEU A 8 53.636 47.602 32.138 1.00 0.00 H new ATOM 147 N THR A 9 55.860 51.507 29.440 1.00 0.00 N ATOM 148 CA THR A 9 56.457 52.820 29.315 1.00 0.00 C ATOM 149 C THR A 9 55.671 53.928 30.020 1.00 0.00 C ATOM 150 O THR A 9 56.116 55.072 30.067 1.00 0.00 O ATOM 151 CB THR A 9 56.540 53.193 27.837 1.00 0.00 C ATOM 152 OG1 THR A 9 55.252 53.065 27.276 1.00 0.00 O ATOM 153 CG2 THR A 9 57.482 52.299 27.036 1.00 0.00 C ATOM 0 H THR A 9 55.510 51.171 28.543 1.00 0.00 H new ATOM 0 HA THR A 9 57.436 52.751 29.788 1.00 0.00 H new ATOM 0 HB THR A 9 56.927 54.211 27.787 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.284 53.302 26.326 1.00 0.00 H new ATOM 0 HG21 THR A 9 57.492 52.621 25.995 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.489 52.370 27.447 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.139 51.266 27.093 1.00 0.00 H new ATOM 161 N GLY A 10 54.471 53.637 30.515 1.00 0.00 N ATOM 162 CA GLY A 10 53.504 54.592 31.016 1.00 0.00 C ATOM 163 C GLY A 10 52.631 55.229 29.934 1.00 0.00 C ATOM 164 O GLY A 10 51.630 55.854 30.281 1.00 0.00 O ATOM 0 H GLY A 10 54.135 52.676 30.578 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.859 54.093 31.740 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.033 55.381 31.551 1.00 0.00 H new ATOM 168 N LYS A 11 52.952 55.053 28.655 1.00 0.00 N ATOM 169 CA LYS A 11 52.197 55.571 27.532 1.00 0.00 C ATOM 170 C LYS A 11 50.797 54.954 27.486 1.00 0.00 C ATOM 171 O LYS A 11 50.649 53.744 27.643 1.00 0.00 O ATOM 172 CB LYS A 11 52.970 55.308 26.244 1.00 0.00 C ATOM 173 CG LYS A 11 52.312 55.740 24.936 1.00 0.00 C ATOM 174 CD LYS A 11 52.083 57.241 24.776 1.00 0.00 C ATOM 175 CE LYS A 11 51.275 57.567 23.524 1.00 0.00 C ATOM 176 NZ LYS A 11 52.005 57.297 22.275 1.00 0.00 N ATOM 0 H LYS A 11 53.777 54.525 28.368 1.00 0.00 H new ATOM 0 HA LYS A 11 52.066 56.647 27.647 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.934 55.811 26.320 1.00 0.00 H new ATOM 0 HB3 LYS A 11 53.172 54.239 26.184 1.00 0.00 H new ATOM 0 HG2 LYS A 11 52.931 55.395 24.108 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.351 55.233 24.849 1.00 0.00 H new ATOM 0 HD2 LYS A 11 51.562 57.623 25.653 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.045 57.751 24.729 1.00 0.00 H new ATOM 0 HE2 LYS A 11 50.354 56.984 23.532 1.00 0.00 H new ATOM 0 HE3 LYS A 11 50.987 58.618 23.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 51.391 57.507 21.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 52.853 57.897 22.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 52.287 56.296 22.247 1.00 0.00 H new ATOM 190 N THR A 12 49.783 55.778 27.238 1.00 0.00 N ATOM 191 CA THR A 12 48.432 55.349 26.938 1.00 0.00 C ATOM 192 C THR A 12 48.011 55.781 25.532 1.00 0.00 C ATOM 193 O THR A 12 48.480 56.801 25.033 1.00 0.00 O ATOM 194 CB THR A 12 47.451 55.810 28.013 1.00 0.00 C ATOM 195 OG1 THR A 12 46.423 54.853 28.130 1.00 0.00 O ATOM 196 CG2 THR A 12 46.805 57.175 27.789 1.00 0.00 C ATOM 0 H THR A 12 49.888 56.793 27.242 1.00 0.00 H new ATOM 0 HA THR A 12 48.414 54.259 26.948 1.00 0.00 H new ATOM 0 HB THR A 12 48.051 55.912 28.917 1.00 0.00 H new ATOM 0 HG1 THR A 12 45.788 55.138 28.819 1.00 0.00 H new ATOM 0 HG21 THR A 12 46.129 57.397 28.614 1.00 0.00 H new ATOM 0 HG22 THR A 12 47.580 57.940 27.739 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.245 57.163 26.854 1.00 0.00 H new ATOM 204 N ILE A 13 47.117 55.020 24.907 1.00 0.00 N ATOM 205 CA ILE A 13 46.488 55.331 23.639 1.00 0.00 C ATOM 206 C ILE A 13 44.993 55.011 23.699 1.00 0.00 C ATOM 207 O ILE A 13 44.588 54.065 24.371 1.00 0.00 O ATOM 208 CB ILE A 13 47.171 54.636 22.465 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.149 53.115 22.584 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.584 55.180 22.273 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.916 52.348 21.510 1.00 0.00 C ATOM 0 H ILE A 13 46.801 54.130 25.293 1.00 0.00 H new ATOM 0 HA ILE A 13 46.604 56.400 23.463 1.00 0.00 H new ATOM 0 HB ILE A 13 46.595 54.866 21.569 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.555 52.841 23.558 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.111 52.784 22.567 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.058 54.674 21.432 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.538 56.251 22.073 1.00 0.00 H new ATOM 0 HG23 ILE A 13 49.167 55.005 23.177 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.830 51.277 21.696 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.500 52.580 20.530 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.966 52.638 21.536 1.00 0.00 H new ATOM 223 N THR A 14 44.175 55.779 22.984 1.00 0.00 N ATOM 224 CA THR A 14 42.753 55.540 22.834 1.00 0.00 C ATOM 225 C THR A 14 42.409 54.979 21.453 1.00 0.00 C ATOM 226 O THR A 14 42.857 55.512 20.440 1.00 0.00 O ATOM 227 CB THR A 14 41.897 56.772 23.111 1.00 0.00 C ATOM 228 OG1 THR A 14 42.363 57.931 22.455 1.00 0.00 O ATOM 229 CG2 THR A 14 41.841 57.077 24.604 1.00 0.00 C ATOM 0 H THR A 14 44.498 56.606 22.481 1.00 0.00 H new ATOM 0 HA THR A 14 42.513 54.795 23.593 1.00 0.00 H new ATOM 0 HB THR A 14 40.908 56.524 22.726 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.776 58.686 22.668 1.00 0.00 H new ATOM 0 HG21 THR A 14 41.224 57.960 24.772 1.00 0.00 H new ATOM 0 HG22 THR A 14 41.410 56.227 25.133 1.00 0.00 H new ATOM 0 HG23 THR A 14 42.849 57.262 24.976 1.00 0.00 H new ATOM 237 N LEU A 15 41.619 53.911 21.425 1.00 0.00 N ATOM 238 CA LEU A 15 41.119 53.266 20.227 1.00 0.00 C ATOM 239 C LEU A 15 39.590 53.288 20.209 1.00 0.00 C ATOM 240 O LEU A 15 38.945 53.334 21.254 1.00 0.00 O ATOM 241 CB LEU A 15 41.645 51.837 20.137 1.00 0.00 C ATOM 242 CG LEU A 15 43.042 51.630 19.556 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.170 52.213 20.403 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.303 50.130 19.453 1.00 0.00 C ATOM 0 H LEU A 15 41.298 53.454 22.279 1.00 0.00 H new ATOM 0 HA LEU A 15 41.476 53.816 19.356 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.633 51.411 21.140 1.00 0.00 H new ATOM 0 HB3 LEU A 15 40.943 51.258 19.537 1.00 0.00 H new ATOM 0 HG LEU A 15 43.047 52.145 18.595 1.00 0.00 H new ATOM 0 HD11 LEU A 15 45.127 52.021 19.917 1.00 0.00 H new ATOM 0 HD12 LEU A 15 44.027 53.288 20.510 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.164 51.747 21.388 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.297 49.961 19.040 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.241 49.681 20.444 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.557 49.675 18.801 1.00 0.00 H new ATOM 256 N GLU A 16 39.011 53.199 19.014 1.00 0.00 N ATOM 257 CA GLU A 16 37.591 53.065 18.760 1.00 0.00 C ATOM 258 C GLU A 16 37.343 51.839 17.879 1.00 0.00 C ATOM 259 O GLU A 16 37.762 51.790 16.725 1.00 0.00 O ATOM 260 CB GLU A 16 37.041 54.348 18.144 1.00 0.00 C ATOM 261 CG GLU A 16 36.122 55.117 19.091 1.00 0.00 C ATOM 262 CD GLU A 16 34.758 54.459 19.312 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.483 53.386 18.734 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.925 55.009 20.065 1.00 0.00 O ATOM 0 H GLU A 16 39.557 53.220 18.153 1.00 0.00 H new ATOM 0 HA GLU A 16 37.057 52.911 19.698 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.872 54.990 17.852 1.00 0.00 H new ATOM 0 HB3 GLU A 16 36.493 54.102 17.234 1.00 0.00 H new ATOM 0 HG2 GLU A 16 36.621 55.226 20.054 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.969 56.121 18.695 1.00 0.00 H new ATOM 271 N VAL A 17 36.711 50.811 18.439 1.00 0.00 N ATOM 272 CA VAL A 17 36.592 49.485 17.868 1.00 0.00 C ATOM 273 C VAL A 17 35.189 48.905 18.064 1.00 0.00 C ATOM 274 O VAL A 17 34.399 49.441 18.838 1.00 0.00 O ATOM 275 CB VAL A 17 37.636 48.540 18.455 1.00 0.00 C ATOM 276 CG1 VAL A 17 39.061 48.983 18.135 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.520 48.378 19.968 1.00 0.00 C ATOM 0 H VAL A 17 36.249 50.890 19.345 1.00 0.00 H new ATOM 0 HA VAL A 17 36.769 49.583 16.797 1.00 0.00 H new ATOM 0 HB VAL A 17 37.429 47.581 17.981 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.768 48.279 18.574 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.200 49.010 17.054 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.235 49.977 18.548 1.00 0.00 H new ATOM 0 HG21 VAL A 17 38.291 47.693 20.321 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.648 49.348 20.449 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.538 47.977 20.217 1.00 0.00 H new ATOM 287 N GLU A 18 34.844 47.829 17.363 1.00 0.00 N ATOM 288 CA GLU A 18 33.634 47.073 17.616 1.00 0.00 C ATOM 289 C GLU A 18 33.868 45.928 18.604 1.00 0.00 C ATOM 290 O GLU A 18 34.951 45.346 18.611 1.00 0.00 O ATOM 291 CB GLU A 18 33.053 46.524 16.317 1.00 0.00 C ATOM 292 CG GLU A 18 32.153 47.500 15.567 1.00 0.00 C ATOM 293 CD GLU A 18 30.912 47.868 16.383 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.870 48.976 16.963 1.00 0.00 O ATOM 295 OE2 GLU A 18 29.988 47.037 16.513 1.00 0.00 O ATOM 0 H GLU A 18 35.406 47.458 16.597 1.00 0.00 H new ATOM 0 HA GLU A 18 32.919 47.763 18.064 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.873 46.229 15.663 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.483 45.622 16.541 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.714 48.404 15.331 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.847 47.058 14.619 1.00 0.00 H new ATOM 302 N PRO A 19 32.862 45.506 19.365 1.00 0.00 N ATOM 303 CA PRO A 19 32.895 44.275 20.129 1.00 0.00 C ATOM 304 C PRO A 19 33.316 43.026 19.351 1.00 0.00 C ATOM 305 O PRO A 19 33.883 42.107 19.938 1.00 0.00 O ATOM 306 CB PRO A 19 31.487 44.100 20.690 1.00 0.00 C ATOM 307 CG PRO A 19 30.975 45.530 20.825 1.00 0.00 C ATOM 308 CD PRO A 19 31.663 46.259 19.675 1.00 0.00 C ATOM 0 HA PRO A 19 33.664 44.368 20.895 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.859 43.511 20.021 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.499 43.586 21.651 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.889 45.578 20.740 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.239 45.962 21.790 1.00 0.00 H new ATOM 0 HD2 PRO A 19 31.007 46.318 18.806 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.910 47.282 19.958 1.00 0.00 H new ATOM 316 N SER A 20 33.061 42.987 18.046 1.00 0.00 N ATOM 317 CA SER A 20 33.440 41.926 17.135 1.00 0.00 C ATOM 318 C SER A 20 34.854 42.029 16.558 1.00 0.00 C ATOM 319 O SER A 20 35.264 41.150 15.802 1.00 0.00 O ATOM 320 CB SER A 20 32.407 41.848 16.015 1.00 0.00 C ATOM 321 OG SER A 20 32.287 43.083 15.346 1.00 0.00 O ATOM 0 H SER A 20 32.557 43.739 17.576 1.00 0.00 H new ATOM 0 HA SER A 20 33.458 41.010 17.725 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.695 41.073 15.305 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.440 41.559 16.428 1.00 0.00 H new ATOM 0 HG SER A 20 31.620 43.005 14.632 1.00 0.00 H new ATOM 327 N ASP A 21 35.626 43.062 16.883 1.00 0.00 N ATOM 328 CA ASP A 21 37.010 43.169 16.465 1.00 0.00 C ATOM 329 C ASP A 21 37.904 42.246 17.297 1.00 0.00 C ATOM 330 O ASP A 21 37.780 42.168 18.517 1.00 0.00 O ATOM 331 CB ASP A 21 37.484 44.619 16.491 1.00 0.00 C ATOM 332 CG ASP A 21 36.888 45.492 15.386 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.489 44.969 14.323 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.883 46.735 15.522 1.00 0.00 O ATOM 0 H ASP A 21 35.303 43.849 17.446 1.00 0.00 H new ATOM 0 HA ASP A 21 37.083 42.835 15.430 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.233 45.055 17.458 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.571 44.636 16.406 1.00 0.00 H new ATOM 339 N THR A 22 38.811 41.531 16.638 1.00 0.00 N ATOM 340 CA THR A 22 39.688 40.562 17.262 1.00 0.00 C ATOM 341 C THR A 22 40.853 41.204 18.019 1.00 0.00 C ATOM 342 O THR A 22 41.145 42.388 17.861 1.00 0.00 O ATOM 343 CB THR A 22 40.246 39.547 16.269 1.00 0.00 C ATOM 344 OG1 THR A 22 41.073 40.214 15.341 1.00 0.00 O ATOM 345 CG2 THR A 22 39.173 38.770 15.514 1.00 0.00 C ATOM 0 H THR A 22 38.955 41.616 15.632 1.00 0.00 H new ATOM 0 HA THR A 22 39.051 40.045 17.979 1.00 0.00 H new ATOM 0 HB THR A 22 40.807 38.817 16.852 1.00 0.00 H new ATOM 0 HG1 THR A 22 41.436 39.566 14.701 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.647 38.069 14.827 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.554 38.221 16.224 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.550 39.464 14.950 1.00 0.00 H new ATOM 353 N ILE A 23 41.570 40.413 18.812 1.00 0.00 N ATOM 354 CA ILE A 23 42.827 40.820 19.409 1.00 0.00 C ATOM 355 C ILE A 23 43.809 41.251 18.319 1.00 0.00 C ATOM 356 O ILE A 23 44.518 42.240 18.500 1.00 0.00 O ATOM 357 CB ILE A 23 43.359 39.719 20.321 1.00 0.00 C ATOM 358 CG1 ILE A 23 42.804 39.820 21.740 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.879 39.708 20.446 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.291 39.698 21.898 1.00 0.00 C ATOM 0 H ILE A 23 41.288 39.464 19.057 1.00 0.00 H new ATOM 0 HA ILE A 23 42.677 41.692 20.046 1.00 0.00 H new ATOM 0 HB ILE A 23 43.025 38.802 19.835 1.00 0.00 H new ATOM 0 HG12 ILE A 23 43.272 39.043 22.344 1.00 0.00 H new ATOM 0 HG13 ILE A 23 43.113 40.778 22.158 1.00 0.00 H new ATOM 0 HG21 ILE A 23 45.184 38.899 21.110 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.324 39.558 19.462 1.00 0.00 H new ATOM 0 HG23 ILE A 23 45.217 40.660 20.855 1.00 0.00 H new ATOM 0 HD11 ILE A 23 41.027 39.787 22.952 1.00 0.00 H new ATOM 0 HD12 ILE A 23 40.801 40.491 21.333 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.963 38.729 21.522 1.00 0.00 H new ATOM 372 N GLU A 24 43.828 40.602 17.158 1.00 0.00 N ATOM 373 CA GLU A 24 44.687 41.000 16.061 1.00 0.00 C ATOM 374 C GLU A 24 44.226 42.265 15.336 1.00 0.00 C ATOM 375 O GLU A 24 45.075 43.076 14.973 1.00 0.00 O ATOM 376 CB GLU A 24 44.896 39.867 15.062 1.00 0.00 C ATOM 377 CG GLU A 24 45.709 38.751 15.714 1.00 0.00 C ATOM 378 CD GLU A 24 46.258 37.801 14.649 1.00 0.00 C ATOM 379 OE1 GLU A 24 47.435 37.972 14.263 1.00 0.00 O ATOM 380 OE2 GLU A 24 45.526 36.895 14.194 1.00 0.00 O ATOM 0 H GLU A 24 43.247 39.788 16.957 1.00 0.00 H new ATOM 0 HA GLU A 24 45.641 41.240 16.530 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.933 39.481 14.728 1.00 0.00 H new ATOM 0 HB3 GLU A 24 45.414 40.239 14.178 1.00 0.00 H new ATOM 0 HG2 GLU A 24 46.531 39.179 16.288 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.084 38.199 16.416 1.00 0.00 H new ATOM 387 N ASN A 25 42.924 42.497 15.198 1.00 0.00 N ATOM 388 CA ASN A 25 42.423 43.770 14.720 1.00 0.00 C ATOM 389 C ASN A 25 42.899 44.919 15.611 1.00 0.00 C ATOM 390 O ASN A 25 43.276 45.970 15.097 1.00 0.00 O ATOM 391 CB ASN A 25 40.899 43.773 14.635 1.00 0.00 C ATOM 392 CG ASN A 25 40.275 42.809 13.625 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.204 42.253 13.859 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.839 42.633 12.433 1.00 0.00 N ATOM 0 H ASN A 25 42.198 41.813 15.413 1.00 0.00 H new ATOM 0 HA ASN A 25 42.823 43.917 13.717 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.501 43.539 15.622 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.572 44.784 14.391 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.383 42.046 11.735 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.728 43.085 12.218 1.00 0.00 H new ATOM 401 N VAL A 26 42.953 44.713 16.924 1.00 0.00 N ATOM 402 CA VAL A 26 43.488 45.677 17.865 1.00 0.00 C ATOM 403 C VAL A 26 45.009 45.795 17.742 1.00 0.00 C ATOM 404 O VAL A 26 45.493 46.916 17.601 1.00 0.00 O ATOM 405 CB VAL A 26 43.029 45.380 19.289 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.685 46.311 20.304 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.520 45.579 19.412 1.00 0.00 C ATOM 0 H VAL A 26 42.619 43.856 17.365 1.00 0.00 H new ATOM 0 HA VAL A 26 43.083 46.656 17.610 1.00 0.00 H new ATOM 0 HB VAL A 26 43.313 44.348 19.496 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.331 46.065 21.305 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.767 46.190 20.262 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.426 47.344 20.071 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.207 45.363 20.434 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.268 46.610 19.165 1.00 0.00 H new ATOM 0 HG23 VAL A 26 41.007 44.906 18.725 1.00 0.00 H new ATOM 417 N LYS A 27 45.762 44.700 17.696 1.00 0.00 N ATOM 418 CA LYS A 27 47.197 44.722 17.494 1.00 0.00 C ATOM 419 C LYS A 27 47.597 45.460 16.215 1.00 0.00 C ATOM 420 O LYS A 27 48.554 46.233 16.233 1.00 0.00 O ATOM 421 CB LYS A 27 47.783 43.313 17.475 1.00 0.00 C ATOM 422 CG LYS A 27 47.821 42.617 18.832 1.00 0.00 C ATOM 423 CD LYS A 27 48.286 41.168 18.716 1.00 0.00 C ATOM 424 CE LYS A 27 48.383 40.535 20.102 1.00 0.00 C ATOM 425 NZ LYS A 27 48.863 39.147 20.036 1.00 0.00 N ATOM 0 H LYS A 27 45.381 43.760 17.800 1.00 0.00 H new ATOM 0 HA LYS A 27 47.609 45.268 18.343 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.201 42.702 16.785 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.797 43.362 17.079 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.489 43.160 19.500 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.829 42.645 19.282 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.589 40.603 18.098 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.256 41.128 18.221 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.057 41.124 20.724 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.405 40.559 20.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 48.516 38.620 20.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.510 38.699 19.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.903 39.139 20.032 1.00 0.00 H new ATOM 439 N ALA A 28 46.852 45.285 15.127 1.00 0.00 N ATOM 440 CA ALA A 28 47.074 45.980 13.875 1.00 0.00 C ATOM 441 C ALA A 28 46.718 47.467 13.932 1.00 0.00 C ATOM 442 O ALA A 28 47.356 48.272 13.256 1.00 0.00 O ATOM 443 CB ALA A 28 46.291 45.255 12.783 1.00 0.00 C ATOM 0 H ALA A 28 46.062 44.641 15.097 1.00 0.00 H new ATOM 0 HA ALA A 28 48.141 45.959 13.654 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.443 45.761 11.830 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.641 44.225 12.707 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.230 45.260 13.032 1.00 0.00 H new ATOM 449 N LYS A 29 45.777 47.873 14.780 1.00 0.00 N ATOM 450 CA LYS A 29 45.464 49.269 15.010 1.00 0.00 C ATOM 451 C LYS A 29 46.534 49.953 15.863 1.00 0.00 C ATOM 452 O LYS A 29 46.917 51.086 15.577 1.00 0.00 O ATOM 453 CB LYS A 29 44.068 49.385 15.616 1.00 0.00 C ATOM 454 CG LYS A 29 43.228 50.436 14.897 1.00 0.00 C ATOM 455 CD LYS A 29 41.759 50.342 15.302 1.00 0.00 C ATOM 456 CE LYS A 29 40.938 51.239 14.381 1.00 0.00 C ATOM 457 NZ LYS A 29 39.496 51.088 14.624 1.00 0.00 N ATOM 0 H LYS A 29 45.207 47.230 15.330 1.00 0.00 H new ATOM 0 HA LYS A 29 45.463 49.797 14.056 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.566 48.419 15.562 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.150 49.644 16.672 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.609 51.431 15.129 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.320 50.303 13.819 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.413 49.311 15.231 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.633 50.650 16.340 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.226 52.279 14.533 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.160 50.995 13.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.965 51.548 13.858 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.253 50.077 14.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.249 51.532 15.532 1.00 0.00 H new ATOM 471 N ILE A 30 47.079 49.234 16.840 1.00 0.00 N ATOM 472 CA ILE A 30 48.228 49.626 17.632 1.00 0.00 C ATOM 473 C ILE A 30 49.479 49.733 16.758 1.00 0.00 C ATOM 474 O ILE A 30 50.269 50.655 16.946 1.00 0.00 O ATOM 475 CB ILE A 30 48.412 48.671 18.809 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.227 48.759 19.766 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.709 48.952 19.561 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.188 47.677 20.841 1.00 0.00 C ATOM 0 H ILE A 30 46.711 48.322 17.109 1.00 0.00 H new ATOM 0 HA ILE A 30 48.053 50.618 18.049 1.00 0.00 H new ATOM 0 HB ILE A 30 48.467 47.661 18.402 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.243 49.734 20.253 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.306 48.708 19.186 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.806 48.253 20.392 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.555 48.832 18.885 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.693 49.972 19.945 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.311 47.822 21.472 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.136 46.696 20.368 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.089 47.738 21.452 1.00 0.00 H new ATOM 490 N GLN A 31 49.647 48.870 15.760 1.00 0.00 N ATOM 491 CA GLN A 31 50.686 48.988 14.758 1.00 0.00 C ATOM 492 C GLN A 31 50.560 50.290 13.965 1.00 0.00 C ATOM 493 O GLN A 31 51.548 51.008 13.832 1.00 0.00 O ATOM 494 CB GLN A 31 50.642 47.766 13.845 1.00 0.00 C ATOM 495 CG GLN A 31 51.763 47.713 12.812 1.00 0.00 C ATOM 496 CD GLN A 31 51.544 46.619 11.764 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.420 46.266 11.412 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.612 46.043 11.221 1.00 0.00 N ATOM 0 H GLN A 31 49.049 48.054 15.628 1.00 0.00 H new ATOM 0 HA GLN A 31 51.655 49.024 15.255 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.687 46.867 14.459 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.684 47.750 13.325 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.839 48.679 12.313 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.712 47.541 13.319 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.548 46.330 11.508 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.496 45.314 10.518 1.00 0.00 H new ATOM 507 N ASP A 32 49.371 50.649 13.488 1.00 0.00 N ATOM 508 CA ASP A 32 49.135 51.908 12.810 1.00 0.00 C ATOM 509 C ASP A 32 49.387 53.123 13.705 1.00 0.00 C ATOM 510 O ASP A 32 49.937 54.123 13.246 1.00 0.00 O ATOM 511 CB ASP A 32 47.719 51.893 12.241 1.00 0.00 C ATOM 512 CG ASP A 32 47.320 53.219 11.590 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.562 53.984 12.224 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.758 53.486 10.450 1.00 0.00 O ATOM 0 H ASP A 32 48.539 50.064 13.565 1.00 0.00 H new ATOM 0 HA ASP A 32 49.853 52.009 11.996 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.639 51.094 11.504 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.015 51.661 13.040 1.00 0.00 H new ATOM 519 N LYS A 33 49.026 53.034 14.982 1.00 0.00 N ATOM 520 CA LYS A 33 49.146 54.093 15.963 1.00 0.00 C ATOM 521 C LYS A 33 50.580 54.348 16.433 1.00 0.00 C ATOM 522 O LYS A 33 51.058 55.477 16.351 1.00 0.00 O ATOM 523 CB LYS A 33 48.217 53.777 17.131 1.00 0.00 C ATOM 524 CG LYS A 33 47.985 54.915 18.121 1.00 0.00 C ATOM 525 CD LYS A 33 47.237 56.093 17.502 1.00 0.00 C ATOM 526 CE LYS A 33 46.798 57.066 18.592 1.00 0.00 C ATOM 527 NZ LYS A 33 46.105 58.228 18.016 1.00 0.00 N ATOM 0 H LYS A 33 48.625 52.181 15.372 1.00 0.00 H new ATOM 0 HA LYS A 33 48.849 55.026 15.485 1.00 0.00 H new ATOM 0 HB2 LYS A 33 47.252 53.467 16.730 1.00 0.00 H new ATOM 0 HB3 LYS A 33 48.625 52.925 17.675 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.420 54.539 18.974 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.946 55.260 18.503 1.00 0.00 H new ATOM 0 HD2 LYS A 33 47.878 56.604 16.784 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.367 55.733 16.953 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.138 56.557 19.294 1.00 0.00 H new ATOM 0 HE3 LYS A 33 47.668 57.401 19.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 45.817 58.874 18.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 46.745 58.726 17.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 45.262 57.908 17.497 1.00 0.00 H new ATOM 541 N GLU A 34 51.262 53.309 16.906 1.00 0.00 N ATOM 542 CA GLU A 34 52.533 53.361 17.600 1.00 0.00 C ATOM 543 C GLU A 34 53.701 52.752 16.822 1.00 0.00 C ATOM 544 O GLU A 34 54.851 52.976 17.193 1.00 0.00 O ATOM 545 CB GLU A 34 52.410 52.642 18.941 1.00 0.00 C ATOM 546 CG GLU A 34 51.423 53.229 19.945 1.00 0.00 C ATOM 547 CD GLU A 34 51.891 54.571 20.513 1.00 0.00 C ATOM 548 OE1 GLU A 34 52.525 54.612 21.590 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.613 55.625 19.903 1.00 0.00 O ATOM 0 H GLU A 34 50.917 52.354 16.806 1.00 0.00 H new ATOM 0 HA GLU A 34 52.760 54.419 17.728 1.00 0.00 H new ATOM 0 HB2 GLU A 34 52.124 51.608 18.748 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.395 52.619 19.406 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.454 53.361 19.463 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.279 52.523 20.763 1.00 0.00 H new ATOM 556 N GLY A 35 53.454 51.982 15.767 1.00 0.00 N ATOM 557 CA GLY A 35 54.483 51.453 14.896 1.00 0.00 C ATOM 558 C GLY A 35 55.135 50.136 15.324 1.00 0.00 C ATOM 559 O GLY A 35 56.243 49.850 14.876 1.00 0.00 O ATOM 0 H GLY A 35 52.511 51.706 15.493 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.051 51.313 13.905 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.266 52.205 14.799 1.00 0.00 H new ATOM 563 N ILE A 36 54.478 49.339 16.163 1.00 0.00 N ATOM 564 CA ILE A 36 54.993 48.106 16.723 1.00 0.00 C ATOM 565 C ILE A 36 54.386 46.877 16.045 1.00 0.00 C ATOM 566 O ILE A 36 53.162 46.756 16.048 1.00 0.00 O ATOM 567 CB ILE A 36 54.850 48.138 18.242 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.482 46.936 18.938 1.00 0.00 C ATOM 569 CG2 ILE A 36 53.418 48.303 18.744 1.00 0.00 C ATOM 570 CD1 ILE A 36 57.008 46.952 18.913 1.00 0.00 C ATOM 0 H ILE A 36 53.532 49.550 16.481 1.00 0.00 H new ATOM 0 HA ILE A 36 56.059 48.020 16.514 1.00 0.00 H new ATOM 0 HB ILE A 36 55.403 49.038 18.512 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.144 46.906 19.974 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.128 46.022 18.461 1.00 0.00 H new ATOM 0 HG21 ILE A 36 53.414 48.315 19.834 1.00 0.00 H new ATOM 0 HG22 ILE A 36 53.007 49.240 18.369 1.00 0.00 H new ATOM 0 HG23 ILE A 36 52.810 47.472 18.388 1.00 0.00 H new ATOM 0 HD11 ILE A 36 57.390 46.069 19.425 1.00 0.00 H new ATOM 0 HD12 ILE A 36 57.355 46.950 17.880 1.00 0.00 H new ATOM 0 HD13 ILE A 36 57.371 47.848 19.416 1.00 0.00 H new ATOM 582 N PRO A 37 55.151 45.944 15.485 1.00 0.00 N ATOM 583 CA PRO A 37 54.613 44.817 14.750 1.00 0.00 C ATOM 584 C PRO A 37 53.712 43.888 15.567 1.00 0.00 C ATOM 585 O PRO A 37 54.094 43.527 16.678 1.00 0.00 O ATOM 586 CB PRO A 37 55.803 44.046 14.188 1.00 0.00 C ATOM 587 CG PRO A 37 56.886 45.116 14.077 1.00 0.00 C ATOM 588 CD PRO A 37 56.585 45.999 15.285 1.00 0.00 C ATOM 0 HA PRO A 37 53.960 45.206 13.969 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.105 43.233 14.848 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.574 43.601 13.219 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.888 44.689 14.123 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.818 45.669 13.140 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.114 45.642 16.168 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.914 47.023 15.109 1.00 0.00 H new ATOM 596 N PRO A 38 52.569 43.441 15.055 1.00 0.00 N ATOM 597 CA PRO A 38 51.660 42.553 15.749 1.00 0.00 C ATOM 598 C PRO A 38 52.268 41.251 16.274 1.00 0.00 C ATOM 599 O PRO A 38 51.899 40.833 17.369 1.00 0.00 O ATOM 600 CB PRO A 38 50.525 42.271 14.769 1.00 0.00 C ATOM 601 CG PRO A 38 50.442 43.572 13.973 1.00 0.00 C ATOM 602 CD PRO A 38 51.916 43.957 13.869 1.00 0.00 C ATOM 0 HA PRO A 38 51.330 43.049 16.662 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.745 41.417 14.128 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.590 42.050 15.284 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.986 43.426 12.994 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.855 44.332 14.488 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.363 43.536 12.968 1.00 0.00 H new ATOM 0 HD3 PRO A 38 52.029 45.039 13.805 1.00 0.00 H new ATOM 610 N ASP A 39 53.207 40.629 15.567 1.00 0.00 N ATOM 611 CA ASP A 39 53.850 39.400 15.988 1.00 0.00 C ATOM 612 C ASP A 39 54.551 39.507 17.344 1.00 0.00 C ATOM 613 O ASP A 39 54.560 38.538 18.098 1.00 0.00 O ATOM 614 CB ASP A 39 54.822 38.960 14.897 1.00 0.00 C ATOM 615 CG ASP A 39 55.753 37.827 15.334 1.00 0.00 C ATOM 616 OD1 ASP A 39 55.299 36.670 15.458 1.00 0.00 O ATOM 617 OD2 ASP A 39 56.949 38.103 15.573 1.00 0.00 O ATOM 0 H ASP A 39 53.545 40.976 14.669 1.00 0.00 H new ATOM 0 HA ASP A 39 53.073 38.649 16.130 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.255 38.638 14.024 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.423 39.816 14.589 1.00 0.00 H new ATOM 622 N GLN A 40 55.071 40.677 17.705 1.00 0.00 N ATOM 623 CA GLN A 40 55.747 40.908 18.966 1.00 0.00 C ATOM 624 C GLN A 40 54.895 41.625 20.015 1.00 0.00 C ATOM 625 O GLN A 40 55.438 42.054 21.031 1.00 0.00 O ATOM 626 CB GLN A 40 57.131 41.513 18.746 1.00 0.00 C ATOM 627 CG GLN A 40 57.112 42.928 18.176 1.00 0.00 C ATOM 628 CD GLN A 40 58.519 43.437 17.857 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.081 44.287 18.545 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.126 42.943 16.781 1.00 0.00 N ATOM 0 H GLN A 40 55.030 41.506 17.112 1.00 0.00 H new ATOM 0 HA GLN A 40 55.909 39.931 19.421 1.00 0.00 H new ATOM 0 HB2 GLN A 40 57.666 41.523 19.696 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.694 40.869 18.070 1.00 0.00 H new ATOM 0 HG2 GLN A 40 56.506 42.946 17.270 1.00 0.00 H new ATOM 0 HG3 GLN A 40 56.637 43.600 18.890 1.00 0.00 H new ATOM 0 HE21 GLN A 40 58.659 42.238 16.211 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.058 43.269 16.526 1.00 0.00 H new ATOM 639 N GLN A 41 53.583 41.721 19.821 1.00 0.00 N ATOM 640 CA GLN A 41 52.648 42.223 20.808 1.00 0.00 C ATOM 641 C GLN A 41 51.947 41.078 21.541 1.00 0.00 C ATOM 642 O GLN A 41 51.485 40.132 20.907 1.00 0.00 O ATOM 643 CB GLN A 41 51.596 43.114 20.155 1.00 0.00 C ATOM 644 CG GLN A 41 52.082 44.423 19.540 1.00 0.00 C ATOM 645 CD GLN A 41 50.915 45.198 18.924 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.867 45.375 19.540 1.00 0.00 O ATOM 647 NE2 GLN A 41 51.012 45.674 17.686 1.00 0.00 N ATOM 0 H GLN A 41 53.135 41.443 18.948 1.00 0.00 H new ATOM 0 HA GLN A 41 53.222 42.807 21.528 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.100 42.537 19.375 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.841 43.352 20.904 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.566 45.032 20.304 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.831 44.215 18.776 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.872 45.540 17.154 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.227 46.173 17.269 1.00 0.00 H new ATOM 656 N ARG A 42 51.761 41.198 22.852 1.00 0.00 N ATOM 657 CA ARG A 42 50.923 40.344 23.670 1.00 0.00 C ATOM 658 C ARG A 42 49.899 41.206 24.412 1.00 0.00 C ATOM 659 O ARG A 42 50.291 42.089 25.173 1.00 0.00 O ATOM 660 CB ARG A 42 51.772 39.529 24.642 1.00 0.00 C ATOM 661 CG ARG A 42 52.691 38.538 23.933 1.00 0.00 C ATOM 662 CD ARG A 42 53.448 37.658 24.923 1.00 0.00 C ATOM 663 NE ARG A 42 54.454 38.406 25.678 1.00 0.00 N ATOM 664 CZ ARG A 42 54.996 38.046 26.849 1.00 0.00 C ATOM 665 NH1 ARG A 42 54.603 36.965 27.537 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.987 38.785 27.365 1.00 0.00 N ATOM 0 H ARG A 42 52.216 41.932 23.395 1.00 0.00 H new ATOM 0 HA ARG A 42 50.391 39.637 23.033 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.373 40.206 25.249 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.117 38.987 25.324 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.102 37.910 23.265 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.403 39.082 23.313 1.00 0.00 H new ATOM 0 HD2 ARG A 42 52.740 37.204 25.617 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.933 36.844 24.384 1.00 0.00 H new ATOM 0 HE ARG A 42 54.773 39.286 25.274 1.00 0.00 H new ATOM 0 HH11 ARG A 42 53.857 36.372 27.173 1.00 0.00 H new ATOM 0 HH12 ARG A 42 55.050 36.735 28.425 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.320 39.611 26.867 1.00 0.00 H new ATOM 0 HH22 ARG A 42 56.409 38.522 28.256 1.00 0.00 H new ATOM 680 N LEU A 43 48.613 40.991 24.157 1.00 0.00 N ATOM 681 CA LEU A 43 47.529 41.836 24.619 1.00 0.00 C ATOM 682 C LEU A 43 46.917 41.277 25.904 1.00 0.00 C ATOM 683 O LEU A 43 46.611 40.089 25.978 1.00 0.00 O ATOM 684 CB LEU A 43 46.541 42.004 23.468 1.00 0.00 C ATOM 685 CG LEU A 43 45.562 43.166 23.611 1.00 0.00 C ATOM 686 CD1 LEU A 43 45.006 43.539 22.239 1.00 0.00 C ATOM 687 CD2 LEU A 43 44.359 42.838 24.490 1.00 0.00 C ATOM 0 H LEU A 43 48.291 40.196 23.605 1.00 0.00 H new ATOM 0 HA LEU A 43 47.884 42.829 24.894 1.00 0.00 H new ATOM 0 HB2 LEU A 43 47.104 42.137 22.544 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.971 41.081 23.363 1.00 0.00 H new ATOM 0 HG LEU A 43 46.128 43.976 24.072 1.00 0.00 H new ATOM 0 HD11 LEU A 43 44.307 44.369 22.343 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.825 43.834 21.583 1.00 0.00 H new ATOM 0 HD13 LEU A 43 44.489 42.681 21.810 1.00 0.00 H new ATOM 0 HD21 LEU A 43 43.704 43.707 24.549 1.00 0.00 H new ATOM 0 HD22 LEU A 43 43.812 42.000 24.059 1.00 0.00 H new ATOM 0 HD23 LEU A 43 44.701 42.573 25.490 1.00 0.00 H new ATOM 699 N ILE A 44 46.764 42.116 26.923 1.00 0.00 N ATOM 700 CA ILE A 44 46.405 41.748 28.278 1.00 0.00 C ATOM 701 C ILE A 44 45.223 42.582 28.778 1.00 0.00 C ATOM 702 O ILE A 44 45.131 43.776 28.502 1.00 0.00 O ATOM 703 CB ILE A 44 47.612 41.849 29.206 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.821 41.092 28.663 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.276 41.368 30.616 1.00 0.00 C ATOM 706 CD1 ILE A 44 50.069 41.156 29.538 1.00 0.00 C ATOM 0 H ILE A 44 46.895 43.122 26.815 1.00 0.00 H new ATOM 0 HA ILE A 44 46.084 40.706 28.278 1.00 0.00 H new ATOM 0 HB ILE A 44 47.876 42.905 29.255 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.545 40.046 28.527 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.066 41.488 27.678 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.159 41.454 31.250 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.473 41.980 31.027 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.956 40.327 30.579 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.872 40.589 29.068 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.378 42.195 29.655 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.849 40.731 30.517 1.00 0.00 H new ATOM 718 N PHE A 45 44.321 41.963 29.535 1.00 0.00 N ATOM 719 CA PHE A 45 43.225 42.617 30.221 1.00 0.00 C ATOM 720 C PHE A 45 43.030 42.018 31.615 1.00 0.00 C ATOM 721 O PHE A 45 42.811 40.816 31.745 1.00 0.00 O ATOM 722 CB PHE A 45 41.968 42.470 29.369 1.00 0.00 C ATOM 723 CG PHE A 45 40.695 43.023 29.964 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.508 44.407 30.060 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.677 42.156 30.377 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.295 44.923 30.529 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.478 42.670 30.887 1.00 0.00 C ATOM 728 CZ PHE A 45 38.282 44.054 30.955 1.00 0.00 C ATOM 0 H PHE A 45 44.339 40.955 29.689 1.00 0.00 H new ATOM 0 HA PHE A 45 43.445 43.676 30.357 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.142 42.963 28.412 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.817 41.411 29.159 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.303 45.079 29.771 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.816 41.088 30.302 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.140 45.991 30.563 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.704 41.998 31.228 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.352 44.451 31.335 1.00 0.00 H new ATOM 738 N ALA A 46 43.108 42.852 32.648 1.00 0.00 N ATOM 739 CA ALA A 46 42.898 42.496 34.037 1.00 0.00 C ATOM 740 C ALA A 46 43.653 41.236 34.465 1.00 0.00 C ATOM 741 O ALA A 46 43.082 40.256 34.938 1.00 0.00 O ATOM 742 CB ALA A 46 41.400 42.497 34.329 1.00 0.00 C ATOM 0 H ALA A 46 43.330 43.840 32.527 1.00 0.00 H new ATOM 0 HA ALA A 46 43.349 43.254 34.677 1.00 0.00 H new ATOM 0 HB1 ALA A 46 41.233 42.230 35.372 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.993 43.490 34.139 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.903 41.772 33.685 1.00 0.00 H new ATOM 748 N GLY A 47 44.961 41.231 34.219 1.00 0.00 N ATOM 749 CA GLY A 47 45.893 40.172 34.547 1.00 0.00 C ATOM 750 C GLY A 47 45.882 38.947 33.630 1.00 0.00 C ATOM 751 O GLY A 47 46.696 38.049 33.840 1.00 0.00 O ATOM 0 H GLY A 47 45.419 42.017 33.757 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.900 40.590 34.546 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.687 39.839 35.564 1.00 0.00 H new ATOM 755 N LYS A 48 45.002 38.881 32.634 1.00 0.00 N ATOM 756 CA LYS A 48 44.839 37.763 31.727 1.00 0.00 C ATOM 757 C LYS A 48 45.275 38.132 30.307 1.00 0.00 C ATOM 758 O LYS A 48 44.808 39.130 29.763 1.00 0.00 O ATOM 759 CB LYS A 48 43.386 37.298 31.722 1.00 0.00 C ATOM 760 CG LYS A 48 42.847 36.832 33.072 1.00 0.00 C ATOM 761 CD LYS A 48 43.439 35.503 33.531 1.00 0.00 C ATOM 762 CE LYS A 48 42.719 35.038 34.794 1.00 0.00 C ATOM 763 NZ LYS A 48 43.210 33.724 35.238 1.00 0.00 N ATOM 0 H LYS A 48 44.356 39.645 32.433 1.00 0.00 H new ATOM 0 HA LYS A 48 45.476 36.951 32.077 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.761 38.115 31.362 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.285 36.481 31.007 1.00 0.00 H new ATOM 0 HG2 LYS A 48 43.057 37.594 33.822 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.763 36.737 33.010 1.00 0.00 H new ATOM 0 HD2 LYS A 48 43.337 34.755 32.744 1.00 0.00 H new ATOM 0 HD3 LYS A 48 44.505 35.615 33.727 1.00 0.00 H new ATOM 0 HE2 LYS A 48 42.865 35.770 35.588 1.00 0.00 H new ATOM 0 HE3 LYS A 48 41.647 34.983 34.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 42.701 33.436 36.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 43.048 33.022 34.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 44.228 33.785 35.442 1.00 0.00 H new ATOM 777 N GLN A 49 46.118 37.320 29.676 1.00 0.00 N ATOM 778 CA GLN A 49 46.487 37.496 28.287 1.00 0.00 C ATOM 779 C GLN A 49 45.373 36.992 27.366 1.00 0.00 C ATOM 780 O GLN A 49 44.875 35.883 27.545 1.00 0.00 O ATOM 781 CB GLN A 49 47.834 36.830 28.019 1.00 0.00 C ATOM 782 CG GLN A 49 48.407 37.248 26.668 1.00 0.00 C ATOM 783 CD GLN A 49 49.802 36.669 26.423 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.730 36.864 27.204 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.016 35.945 25.328 1.00 0.00 N ATOM 0 H GLN A 49 46.564 36.518 30.122 1.00 0.00 H new ATOM 0 HA GLN A 49 46.607 38.557 28.069 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.535 37.095 28.810 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.717 35.747 28.046 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.736 36.920 25.874 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.454 38.336 26.617 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.254 35.776 24.672 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.942 35.559 25.145 1.00 0.00 H new ATOM 794 N LEU A 50 44.979 37.795 26.381 1.00 0.00 N ATOM 795 CA LEU A 50 43.872 37.522 25.486 1.00 0.00 C ATOM 796 C LEU A 50 44.328 36.873 24.177 1.00 0.00 C ATOM 797 O LEU A 50 45.448 37.087 23.719 1.00 0.00 O ATOM 798 CB LEU A 50 43.066 38.797 25.258 1.00 0.00 C ATOM 799 CG LEU A 50 42.555 39.526 26.496 1.00 0.00 C ATOM 800 CD1 LEU A 50 41.568 40.604 26.056 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.846 38.629 27.507 1.00 0.00 C ATOM 0 H LEU A 50 45.441 38.682 26.182 1.00 0.00 H new ATOM 0 HA LEU A 50 43.220 36.788 25.960 1.00 0.00 H new ATOM 0 HB2 LEU A 50 43.684 39.491 24.688 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.208 38.548 24.634 1.00 0.00 H new ATOM 0 HG LEU A 50 43.435 39.934 26.993 1.00 0.00 H new ATOM 0 HD11 LEU A 50 41.194 41.134 26.932 1.00 0.00 H new ATOM 0 HD12 LEU A 50 42.070 41.308 25.393 1.00 0.00 H new ATOM 0 HD13 LEU A 50 40.734 40.141 25.529 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.515 39.228 28.356 1.00 0.00 H new ATOM 0 HD22 LEU A 50 40.983 38.160 27.035 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.533 37.857 27.854 1.00 0.00 H new ATOM 813 N GLU A 51 43.456 36.066 23.579 1.00 0.00 N ATOM 814 CA GLU A 51 43.771 35.197 22.464 1.00 0.00 C ATOM 815 C GLU A 51 43.558 35.842 21.093 1.00 0.00 C ATOM 816 O GLU A 51 42.532 36.471 20.843 1.00 0.00 O ATOM 817 CB GLU A 51 42.970 33.901 22.556 1.00 0.00 C ATOM 818 CG GLU A 51 43.348 33.033 23.752 1.00 0.00 C ATOM 819 CD GLU A 51 42.395 31.850 23.942 1.00 0.00 C ATOM 820 OE1 GLU A 51 41.671 31.467 22.997 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.310 31.314 25.067 1.00 0.00 O ATOM 0 H GLU A 51 42.481 36.002 23.871 1.00 0.00 H new ATOM 0 HA GLU A 51 44.838 34.988 22.544 1.00 0.00 H new ATOM 0 HB2 GLU A 51 41.909 34.143 22.614 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.116 33.327 21.641 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.363 32.660 23.619 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.348 33.644 24.655 1.00 0.00 H new ATOM 828 N ASP A 52 44.488 35.613 20.170 1.00 0.00 N ATOM 829 CA ASP A 52 44.562 36.250 18.870 1.00 0.00 C ATOM 830 C ASP A 52 43.325 36.070 17.989 1.00 0.00 C ATOM 831 O ASP A 52 42.950 36.991 17.267 1.00 0.00 O ATOM 832 CB ASP A 52 45.813 35.766 18.141 1.00 0.00 C ATOM 833 CG ASP A 52 47.093 36.378 18.713 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.442 37.519 18.340 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.761 35.721 19.540 1.00 0.00 O ATOM 0 H ASP A 52 45.244 34.945 20.321 1.00 0.00 H new ATOM 0 HA ASP A 52 44.612 37.322 19.062 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.872 34.680 18.207 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.734 36.017 17.083 1.00 0.00 H new ATOM 840 N GLY A 53 42.659 34.920 18.055 1.00 0.00 N ATOM 841 CA GLY A 53 41.449 34.639 17.309 1.00 0.00 C ATOM 842 C GLY A 53 40.140 35.074 17.971 1.00 0.00 C ATOM 843 O GLY A 53 39.082 34.940 17.361 1.00 0.00 O ATOM 0 H GLY A 53 42.958 34.143 18.645 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.522 35.128 16.338 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.401 33.566 17.123 1.00 0.00 H new ATOM 847 N ARG A 54 40.187 35.577 19.201 1.00 0.00 N ATOM 848 CA ARG A 54 39.043 36.012 19.979 1.00 0.00 C ATOM 849 C ARG A 54 38.834 37.524 19.894 1.00 0.00 C ATOM 850 O ARG A 54 39.688 38.253 19.394 1.00 0.00 O ATOM 851 CB ARG A 54 39.158 35.495 21.410 1.00 0.00 C ATOM 852 CG ARG A 54 38.369 34.221 21.693 1.00 0.00 C ATOM 853 CD ARG A 54 38.590 33.044 20.746 1.00 0.00 C ATOM 854 NE ARG A 54 39.920 32.449 20.874 1.00 0.00 N ATOM 855 CZ ARG A 54 40.615 31.834 19.908 1.00 0.00 C ATOM 856 NH1 ARG A 54 40.191 31.712 18.643 1.00 0.00 N ATOM 857 NH2 ARG A 54 41.810 31.295 20.192 1.00 0.00 N ATOM 0 H ARG A 54 41.068 35.696 19.701 1.00 0.00 H new ATOM 0 HA ARG A 54 38.140 35.577 19.550 1.00 0.00 H new ATOM 0 HB2 ARG A 54 40.209 35.312 21.632 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.819 36.275 22.092 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.609 33.892 22.704 1.00 0.00 H new ATOM 0 HG3 ARG A 54 37.308 34.470 21.682 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.836 32.281 20.942 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.445 33.379 19.719 1.00 0.00 H new ATOM 0 HE ARG A 54 40.363 32.508 21.791 1.00 0.00 H new ATOM 0 HH11 ARG A 54 39.289 32.100 18.368 1.00 0.00 H new ATOM 0 HH12 ARG A 54 40.770 31.231 17.955 1.00 0.00 H new ATOM 0 HH21 ARG A 54 42.184 31.355 21.139 1.00 0.00 H new ATOM 0 HH22 ARG A 54 42.344 30.825 19.461 1.00 0.00 H new ATOM 871 N THR A 55 37.672 37.984 20.353 1.00 0.00 N ATOM 872 CA THR A 55 37.187 39.346 20.265 1.00 0.00 C ATOM 873 C THR A 55 36.842 39.933 21.635 1.00 0.00 C ATOM 874 O THR A 55 36.688 39.198 22.608 1.00 0.00 O ATOM 875 CB THR A 55 35.945 39.432 19.383 1.00 0.00 C ATOM 876 OG1 THR A 55 34.869 38.749 19.988 1.00 0.00 O ATOM 877 CG2 THR A 55 36.125 38.854 17.983 1.00 0.00 C ATOM 0 H THR A 55 37.007 37.371 20.825 1.00 0.00 H new ATOM 0 HA THR A 55 38.001 39.924 19.828 1.00 0.00 H new ATOM 0 HB THR A 55 35.748 40.499 19.280 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.999 37.783 19.891 1.00 0.00 H new ATOM 0 HG21 THR A 55 35.194 38.956 17.425 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.919 39.393 17.466 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.390 37.799 18.056 1.00 0.00 H new ATOM 885 N LEU A 56 36.635 41.245 21.709 1.00 0.00 N ATOM 886 CA LEU A 56 36.166 41.892 22.916 1.00 0.00 C ATOM 887 C LEU A 56 34.840 41.315 23.418 1.00 0.00 C ATOM 888 O LEU A 56 34.665 41.172 24.625 1.00 0.00 O ATOM 889 CB LEU A 56 36.024 43.395 22.693 1.00 0.00 C ATOM 890 CG LEU A 56 37.300 44.155 22.339 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.000 45.651 22.294 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.448 43.938 23.319 1.00 0.00 C ATOM 0 H LEU A 56 36.790 41.884 20.929 1.00 0.00 H new ATOM 0 HA LEU A 56 36.915 41.702 23.685 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.299 43.554 21.894 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.604 43.836 23.597 1.00 0.00 H new ATOM 0 HG LEU A 56 37.620 43.766 21.372 1.00 0.00 H new ATOM 0 HD11 LEU A 56 37.909 46.197 22.041 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.238 45.847 21.540 1.00 0.00 H new ATOM 0 HD13 LEU A 56 36.639 45.979 23.269 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.316 44.512 22.995 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.145 44.267 24.313 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.705 42.879 23.350 1.00 0.00 H new ATOM 904 N SER A 57 33.937 40.928 22.522 1.00 0.00 N ATOM 905 CA SER A 57 32.678 40.294 22.857 1.00 0.00 C ATOM 906 C SER A 57 32.849 38.932 23.532 1.00 0.00 C ATOM 907 O SER A 57 32.097 38.605 24.448 1.00 0.00 O ATOM 908 CB SER A 57 31.797 40.163 21.618 1.00 0.00 C ATOM 909 OG SER A 57 32.208 39.131 20.749 1.00 0.00 O ATOM 0 H SER A 57 34.070 41.052 21.518 1.00 0.00 H new ATOM 0 HA SER A 57 32.191 40.944 23.584 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.769 39.979 21.929 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.801 41.109 21.076 1.00 0.00 H new ATOM 0 HG SER A 57 33.178 39.182 20.616 1.00 0.00 H new ATOM 915 N ASP A 58 33.846 38.143 23.141 1.00 0.00 N ATOM 916 CA ASP A 58 34.108 36.845 23.729 1.00 0.00 C ATOM 917 C ASP A 58 34.539 36.949 25.194 1.00 0.00 C ATOM 918 O ASP A 58 34.221 36.065 25.987 1.00 0.00 O ATOM 919 CB ASP A 58 35.159 36.099 22.912 1.00 0.00 C ATOM 920 CG ASP A 58 34.717 35.825 21.473 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.635 35.236 21.260 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.453 36.185 20.529 1.00 0.00 O ATOM 0 H ASP A 58 34.498 38.395 22.399 1.00 0.00 H new ATOM 0 HA ASP A 58 33.174 36.283 23.710 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.080 36.681 22.898 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.387 35.153 23.402 1.00 0.00 H new ATOM 927 N TYR A 59 35.179 38.060 25.544 1.00 0.00 N ATOM 928 CA TYR A 59 35.604 38.442 26.876 1.00 0.00 C ATOM 929 C TYR A 59 34.662 39.415 27.588 1.00 0.00 C ATOM 930 O TYR A 59 34.966 39.819 28.708 1.00 0.00 O ATOM 931 CB TYR A 59 37.027 38.989 26.799 1.00 0.00 C ATOM 932 CG TYR A 59 38.039 37.995 26.284 1.00 0.00 C ATOM 933 CD1 TYR A 59 38.304 36.835 27.022 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.696 38.220 25.069 1.00 0.00 C ATOM 935 CE1 TYR A 59 39.223 35.893 26.543 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.626 37.290 24.585 1.00 0.00 C ATOM 937 CZ TYR A 59 39.887 36.116 25.320 1.00 0.00 C ATOM 938 OH TYR A 59 40.785 35.202 24.852 1.00 0.00 O ATOM 0 H TYR A 59 35.430 38.764 24.850 1.00 0.00 H new ATOM 0 HA TYR A 59 35.575 37.545 27.495 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.034 39.867 26.153 1.00 0.00 H new ATOM 0 HB3 TYR A 59 37.332 39.321 27.791 1.00 0.00 H new ATOM 0 HD1 TYR A 59 37.799 36.666 27.962 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.485 39.115 24.502 1.00 0.00 H new ATOM 0 HE1 TYR A 59 39.423 34.996 27.111 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.140 37.472 23.653 1.00 0.00 H new ATOM 0 HH TYR A 59 40.413 34.752 24.065 1.00 0.00 H new ATOM 948 N ASN A 60 33.530 39.776 26.990 1.00 0.00 N ATOM 949 CA ASN A 60 32.518 40.662 27.530 1.00 0.00 C ATOM 950 C ASN A 60 33.032 42.051 27.911 1.00 0.00 C ATOM 951 O ASN A 60 32.631 42.604 28.933 1.00 0.00 O ATOM 952 CB ASN A 60 31.747 39.965 28.647 1.00 0.00 C ATOM 953 CG ASN A 60 31.367 38.523 28.303 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.016 37.573 28.735 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.339 38.309 27.487 1.00 0.00 N ATOM 0 H ASN A 60 33.286 39.434 26.060 1.00 0.00 H new ATOM 0 HA ASN A 60 31.817 40.874 26.723 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.351 39.969 29.555 1.00 0.00 H new ATOM 0 HB3 ASN A 60 30.841 40.531 28.864 1.00 0.00 H new ATOM 0 HD21 ASN A 60 30.089 37.357 27.220 1.00 0.00 H new ATOM 0 HD22 ASN A 60 29.800 39.097 27.128 1.00 0.00 H new ATOM 962 N ILE A 61 33.974 42.604 27.154 1.00 0.00 N ATOM 963 CA ILE A 61 34.630 43.865 27.435 1.00 0.00 C ATOM 964 C ILE A 61 33.774 45.026 26.926 1.00 0.00 C ATOM 965 O ILE A 61 33.266 44.983 25.808 1.00 0.00 O ATOM 966 CB ILE A 61 36.050 43.856 26.875 1.00 0.00 C ATOM 967 CG1 ILE A 61 36.882 42.774 27.556 1.00 0.00 C ATOM 968 CG2 ILE A 61 36.718 45.218 27.043 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.289 42.565 27.003 1.00 0.00 C ATOM 0 H ILE A 61 34.310 42.165 26.297 1.00 0.00 H new ATOM 0 HA ILE A 61 34.729 44.006 28.511 1.00 0.00 H new ATOM 0 HB ILE A 61 35.989 43.638 25.809 1.00 0.00 H new ATOM 0 HG12 ILE A 61 36.962 43.018 28.615 1.00 0.00 H new ATOM 0 HG13 ILE A 61 36.342 41.830 27.486 1.00 0.00 H new ATOM 0 HG21 ILE A 61 37.728 45.181 26.635 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.140 45.975 26.512 1.00 0.00 H new ATOM 0 HG23 ILE A 61 36.764 45.473 28.102 1.00 0.00 H new ATOM 0 HD11 ILE A 61 38.786 41.773 27.563 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.229 42.283 25.952 1.00 0.00 H new ATOM 0 HD13 ILE A 61 38.859 43.489 27.099 1.00 0.00 H new ATOM 981 N GLN A 62 33.599 46.061 27.744 1.00 0.00 N ATOM 982 CA GLN A 62 32.669 47.151 27.530 1.00 0.00 C ATOM 983 C GLN A 62 33.316 48.479 27.133 1.00 0.00 C ATOM 984 O GLN A 62 34.534 48.643 27.151 1.00 0.00 O ATOM 985 CB GLN A 62 31.803 47.293 28.777 1.00 0.00 C ATOM 986 CG GLN A 62 30.530 46.454 28.692 1.00 0.00 C ATOM 987 CD GLN A 62 29.460 47.031 27.764 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.595 48.093 27.160 1.00 0.00 O ATOM 989 NE2 GLN A 62 28.336 46.332 27.636 1.00 0.00 N ATOM 0 H GLN A 62 34.128 46.161 28.610 1.00 0.00 H new ATOM 0 HA GLN A 62 32.059 46.895 26.664 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.377 46.991 29.653 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.537 48.341 28.916 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.790 45.453 28.349 1.00 0.00 H new ATOM 0 HG3 GLN A 62 30.110 46.349 29.692 1.00 0.00 H new ATOM 0 HE21 GLN A 62 28.224 45.451 28.137 1.00 0.00 H new ATOM 0 HE22 GLN A 62 27.586 46.677 27.037 1.00 0.00 H new ATOM 998 N LYS A 63 32.480 49.458 26.799 1.00 0.00 N ATOM 999 CA LYS A 63 32.850 50.837 26.551 1.00 0.00 C ATOM 1000 C LYS A 63 33.551 51.474 27.752 1.00 0.00 C ATOM 1001 O LYS A 63 33.167 51.233 28.894 1.00 0.00 O ATOM 1002 CB LYS A 63 31.587 51.601 26.162 1.00 0.00 C ATOM 1003 CG LYS A 63 31.792 53.083 25.859 1.00 0.00 C ATOM 1004 CD LYS A 63 30.491 53.671 25.319 1.00 0.00 C ATOM 1005 CE LYS A 63 30.601 55.176 25.093 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.365 55.695 24.490 1.00 0.00 N ATOM 0 H LYS A 63 31.479 49.297 26.690 1.00 0.00 H new ATOM 0 HA LYS A 63 33.574 50.877 25.737 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.149 51.124 25.285 1.00 0.00 H new ATOM 0 HB3 LYS A 63 30.862 51.509 26.971 1.00 0.00 H new ATOM 0 HG2 LYS A 63 32.097 53.612 26.762 1.00 0.00 H new ATOM 0 HG3 LYS A 63 32.592 53.210 25.130 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.232 53.180 24.381 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.681 53.467 26.020 1.00 0.00 H new ATOM 0 HE2 LYS A 63 30.790 55.680 26.041 1.00 0.00 H new ATOM 0 HE3 LYS A 63 31.449 55.392 24.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.455 56.721 24.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.201 55.226 23.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 28.563 55.506 25.125 1.00 0.00 H new ATOM 1020 N GLU A 64 34.558 52.295 27.471 1.00 0.00 N ATOM 1021 CA GLU A 64 35.433 52.963 28.414 1.00 0.00 C ATOM 1022 C GLU A 64 36.246 52.014 29.297 1.00 0.00 C ATOM 1023 O GLU A 64 36.665 52.349 30.402 1.00 0.00 O ATOM 1024 CB GLU A 64 34.711 54.093 29.142 1.00 0.00 C ATOM 1025 CG GLU A 64 35.643 55.247 29.502 1.00 0.00 C ATOM 1026 CD GLU A 64 34.913 56.429 30.141 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.848 57.512 29.522 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.423 56.308 31.286 1.00 0.00 O ATOM 0 H GLU A 64 34.797 52.524 26.506 1.00 0.00 H new ATOM 0 HA GLU A 64 36.216 53.452 27.835 1.00 0.00 H new ATOM 0 HB2 GLU A 64 33.902 54.466 28.514 1.00 0.00 H new ATOM 0 HB3 GLU A 64 34.255 53.702 30.051 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.410 54.887 30.188 1.00 0.00 H new ATOM 0 HG3 GLU A 64 36.155 55.587 28.602 1.00 0.00 H new ATOM 1035 N SER A 65 36.475 50.796 28.815 1.00 0.00 N ATOM 1036 CA SER A 65 37.399 49.848 29.406 1.00 0.00 C ATOM 1037 C SER A 65 38.858 50.227 29.143 1.00 0.00 C ATOM 1038 O SER A 65 39.173 50.994 28.236 1.00 0.00 O ATOM 1039 CB SER A 65 37.127 48.431 28.910 1.00 0.00 C ATOM 1040 OG SER A 65 37.160 48.371 27.501 1.00 0.00 O ATOM 0 H SER A 65 36.009 50.437 27.982 1.00 0.00 H new ATOM 0 HA SER A 65 37.235 49.880 30.483 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.870 47.749 29.324 1.00 0.00 H new ATOM 0 HB3 SER A 65 36.153 48.098 29.269 1.00 0.00 H new ATOM 0 HG SER A 65 36.249 48.455 27.149 1.00 0.00 H new ATOM 1046 N THR A 66 39.755 49.664 29.947 1.00 0.00 N ATOM 1047 CA THR A 66 41.187 49.865 29.846 1.00 0.00 C ATOM 1048 C THR A 66 41.921 48.523 29.807 1.00 0.00 C ATOM 1049 O THR A 66 41.555 47.587 30.515 1.00 0.00 O ATOM 1050 CB THR A 66 41.668 50.795 30.957 1.00 0.00 C ATOM 1051 OG1 THR A 66 42.978 51.244 30.695 1.00 0.00 O ATOM 1052 CG2 THR A 66 41.640 50.171 32.348 1.00 0.00 C ATOM 0 H THR A 66 39.492 49.038 30.708 1.00 0.00 H new ATOM 0 HA THR A 66 41.423 50.361 28.904 1.00 0.00 H new ATOM 0 HB THR A 66 40.961 51.625 30.959 1.00 0.00 H new ATOM 0 HG1 THR A 66 43.270 51.840 31.416 1.00 0.00 H new ATOM 0 HG21 THR A 66 41.997 50.896 33.079 1.00 0.00 H new ATOM 0 HG22 THR A 66 40.620 49.878 32.595 1.00 0.00 H new ATOM 0 HG23 THR A 66 42.284 49.292 32.365 1.00 0.00 H new ATOM 1060 N LEU A 67 42.930 48.419 28.947 1.00 0.00 N ATOM 1061 CA LEU A 67 43.680 47.223 28.621 1.00 0.00 C ATOM 1062 C LEU A 67 45.183 47.500 28.685 1.00 0.00 C ATOM 1063 O LEU A 67 45.611 48.638 28.866 1.00 0.00 O ATOM 1064 CB LEU A 67 43.281 46.716 27.238 1.00 0.00 C ATOM 1065 CG LEU A 67 41.800 46.445 26.993 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.054 47.641 26.407 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.633 45.298 25.999 1.00 0.00 C ATOM 0 H LEU A 67 43.264 49.230 28.426 1.00 0.00 H new ATOM 0 HA LEU A 67 43.447 46.450 29.354 1.00 0.00 H new ATOM 0 HB2 LEU A 67 43.617 47.446 26.501 1.00 0.00 H new ATOM 0 HB3 LEU A 67 43.829 45.794 27.046 1.00 0.00 H new ATOM 0 HG LEU A 67 41.382 46.210 27.972 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.006 47.379 26.258 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.123 48.485 27.094 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.499 47.914 25.450 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.572 45.113 25.832 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.109 45.563 25.055 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.099 44.398 26.400 1.00 0.00 H new ATOM 1079 N HIS A 68 46.001 46.466 28.501 1.00 0.00 N ATOM 1080 CA HIS A 68 47.448 46.516 28.441 1.00 0.00 C ATOM 1081 C HIS A 68 47.993 45.813 27.197 1.00 0.00 C ATOM 1082 O HIS A 68 47.362 44.905 26.662 1.00 0.00 O ATOM 1083 CB HIS A 68 48.021 45.860 29.693 1.00 0.00 C ATOM 1084 CG HIS A 68 48.247 46.811 30.836 1.00 0.00 C ATOM 1085 ND1 HIS A 68 49.346 47.659 30.962 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.488 46.884 31.974 1.00 0.00 C ATOM 1087 CE1 HIS A 68 49.235 48.220 32.168 1.00 0.00 C ATOM 1088 NE2 HIS A 68 48.130 47.789 32.796 1.00 0.00 N ATOM 0 H HIS A 68 45.644 45.518 28.384 1.00 0.00 H new ATOM 0 HA HIS A 68 47.750 47.562 28.386 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.343 45.071 30.019 1.00 0.00 H new ATOM 0 HB3 HIS A 68 48.967 45.382 29.439 1.00 0.00 H new ATOM 0 HD2 HIS A 68 46.576 46.345 32.185 1.00 0.00 H new ATOM 0 HE1 HIS A 68 49.940 48.926 32.583 1.00 0.00 H new ATOM 0 HE2 HIS A 68 47.818 48.080 33.722 1.00 0.00 H new ATOM 1096 N LEU A 69 49.213 46.158 26.792 1.00 0.00 N ATOM 1097 CA LEU A 69 50.062 45.256 26.039 1.00 0.00 C ATOM 1098 C LEU A 69 51.484 45.170 26.596 1.00 0.00 C ATOM 1099 O LEU A 69 51.966 46.083 27.262 1.00 0.00 O ATOM 1100 CB LEU A 69 49.966 45.497 24.535 1.00 0.00 C ATOM 1101 CG LEU A 69 50.775 46.593 23.848 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.612 47.966 24.494 1.00 0.00 C ATOM 1103 CD2 LEU A 69 52.261 46.283 23.700 1.00 0.00 C ATOM 0 H LEU A 69 49.634 47.068 26.979 1.00 0.00 H new ATOM 0 HA LEU A 69 49.671 44.249 26.181 1.00 0.00 H new ATOM 0 HB2 LEU A 69 50.227 44.558 24.047 1.00 0.00 H new ATOM 0 HB3 LEU A 69 48.917 45.691 24.312 1.00 0.00 H new ATOM 0 HG LEU A 69 50.341 46.621 22.849 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.215 48.696 23.954 1.00 0.00 H new ATOM 0 HD12 LEU A 69 49.564 48.263 24.458 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.940 47.921 25.532 1.00 0.00 H new ATOM 0 HD21 LEU A 69 52.758 47.115 23.202 1.00 0.00 H new ATOM 0 HD22 LEU A 69 52.702 46.135 24.686 1.00 0.00 H new ATOM 0 HD23 LEU A 69 52.386 45.377 23.106 1.00 0.00 H new ATOM 1115 N VAL A 70 52.138 44.047 26.308 1.00 0.00 N ATOM 1116 CA VAL A 70 53.509 43.722 26.647 1.00 0.00 C ATOM 1117 C VAL A 70 54.194 43.144 25.407 1.00 0.00 C ATOM 1118 O VAL A 70 53.536 42.583 24.532 1.00 0.00 O ATOM 1119 CB VAL A 70 53.559 42.750 27.822 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.979 42.388 28.247 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.888 43.332 29.064 1.00 0.00 C ATOM 0 H VAL A 70 51.685 43.291 25.795 1.00 0.00 H new ATOM 0 HA VAL A 70 54.039 44.622 26.959 1.00 0.00 H new ATOM 0 HB VAL A 70 53.039 41.864 27.457 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.942 41.694 29.087 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.500 41.920 27.412 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.511 43.291 28.546 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.944 42.611 29.879 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.397 44.250 29.356 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.843 43.551 28.844 1.00 0.00 H new ATOM 1131 N LEU A 71 55.513 43.277 25.300 1.00 0.00 N ATOM 1132 CA LEU A 71 56.287 42.757 24.191 1.00 0.00 C ATOM 1133 C LEU A 71 56.493 41.244 24.288 1.00 0.00 C ATOM 1134 O LEU A 71 56.462 40.659 25.368 1.00 0.00 O ATOM 1135 CB LEU A 71 57.628 43.481 24.105 1.00 0.00 C ATOM 1136 CG LEU A 71 57.650 44.927 23.619 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.089 45.075 22.208 1.00 0.00 C ATOM 1138 CD2 LEU A 71 56.934 45.920 24.531 1.00 0.00 C ATOM 0 H LEU A 71 56.079 43.759 25.998 1.00 0.00 H new ATOM 0 HA LEU A 71 55.721 42.941 23.278 1.00 0.00 H new ATOM 0 HB2 LEU A 71 58.080 43.459 25.097 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.275 42.901 23.447 1.00 0.00 H new ATOM 0 HG LEU A 71 58.711 45.177 23.630 1.00 0.00 H new ATOM 0 HD11 LEU A 71 57.127 46.123 21.909 1.00 0.00 H new ATOM 0 HD12 LEU A 71 57.683 44.479 21.516 1.00 0.00 H new ATOM 0 HD13 LEU A 71 56.055 44.730 22.189 1.00 0.00 H new ATOM 0 HD21 LEU A 71 57.002 46.921 24.104 1.00 0.00 H new ATOM 0 HD22 LEU A 71 55.886 45.637 24.626 1.00 0.00 H new ATOM 0 HD23 LEU A 71 57.402 45.913 25.515 1.00 0.00 H new ATOM 1150 N ARG A 72 56.726 40.593 23.151 1.00 0.00 N ATOM 1151 CA ARG A 72 57.238 39.242 23.047 1.00 0.00 C ATOM 1152 C ARG A 72 58.767 39.223 23.056 1.00 0.00 C ATOM 1153 O ARG A 72 59.400 40.256 22.851 1.00 0.00 O ATOM 1154 CB ARG A 72 56.629 38.572 21.818 1.00 0.00 C ATOM 1155 CG ARG A 72 56.442 37.063 21.942 1.00 0.00 C ATOM 1156 CD ARG A 72 55.901 36.388 20.684 1.00 0.00 C ATOM 1157 NE ARG A 72 54.541 36.797 20.334 1.00 0.00 N ATOM 1158 CZ ARG A 72 53.384 36.317 20.808 1.00 0.00 C ATOM 1159 NH1 ARG A 72 53.318 35.331 21.713 1.00 0.00 N ATOM 1160 NH2 ARG A 72 52.225 36.836 20.379 1.00 0.00 N ATOM 0 H ARG A 72 56.553 41.018 22.240 1.00 0.00 H new ATOM 0 HA ARG A 72 56.940 38.663 23.921 1.00 0.00 H new ATOM 0 HB2 ARG A 72 55.661 39.029 21.614 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.265 38.776 20.957 1.00 0.00 H new ATOM 0 HG2 ARG A 72 57.400 36.611 22.199 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.762 36.860 22.769 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.564 36.612 19.849 1.00 0.00 H new ATOM 0 HD3 ARG A 72 55.921 35.307 20.826 1.00 0.00 H new ATOM 0 HE ARG A 72 54.464 37.542 19.641 1.00 0.00 H new ATOM 0 HH11 ARG A 72 54.175 34.911 22.073 1.00 0.00 H new ATOM 0 HH12 ARG A 72 52.411 35.001 22.042 1.00 0.00 H new ATOM 0 HH21 ARG A 72 52.227 37.593 19.695 1.00 0.00 H new ATOM 0 HH22 ARG A 72 51.341 36.474 20.737 1.00 0.00 H new ATOM 1174 N LEU A 73 59.366 38.052 23.252 1.00 0.00 N ATOM 1175 CA LEU A 73 60.788 37.816 23.094 1.00 0.00 C ATOM 1176 C LEU A 73 61.314 38.287 21.736 1.00 0.00 C ATOM 1177 O LEU A 73 60.583 38.297 20.749 1.00 0.00 O ATOM 1178 CB LEU A 73 61.102 36.336 23.295 1.00 0.00 C ATOM 1179 CG LEU A 73 61.058 35.842 24.739 1.00 0.00 C ATOM 1180 CD1 LEU A 73 61.217 34.324 24.757 1.00 0.00 C ATOM 1181 CD2 LEU A 73 62.170 36.448 25.590 1.00 0.00 C ATOM 0 H LEU A 73 58.853 37.217 23.534 1.00 0.00 H new ATOM 0 HA LEU A 73 61.297 38.405 23.857 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.395 35.750 22.708 1.00 0.00 H new ATOM 0 HB3 LEU A 73 62.095 36.136 22.891 1.00 0.00 H new ATOM 0 HG LEU A 73 60.099 36.147 25.158 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.186 33.967 25.786 1.00 0.00 H new ATOM 0 HD12 LEU A 73 60.406 33.867 24.190 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.172 34.053 24.307 1.00 0.00 H new ATOM 0 HD21 LEU A 73 62.097 36.067 26.609 1.00 0.00 H new ATOM 0 HD22 LEU A 73 63.139 36.177 25.169 1.00 0.00 H new ATOM 0 HD23 LEU A 73 62.070 37.533 25.601 1.00 0.00 H new ATOM 1193 N ARG A 74 62.582 38.687 21.684 1.00 0.00 N ATOM 1194 CA ARG A 74 63.171 39.484 20.627 1.00 0.00 C ATOM 1195 C ARG A 74 62.336 40.722 20.294 1.00 0.00 C ATOM 1196 O ARG A 74 62.029 41.002 19.137 1.00 0.00 O ATOM 1197 CB ARG A 74 63.561 38.623 19.428 1.00 0.00 C ATOM 1198 CG ARG A 74 64.749 37.720 19.746 1.00 0.00 C ATOM 1199 CD ARG A 74 65.218 36.942 18.519 1.00 0.00 C ATOM 1200 NE ARG A 74 66.543 36.363 18.744 1.00 0.00 N ATOM 1201 CZ ARG A 74 66.845 35.223 19.380 1.00 0.00 C ATOM 1202 NH1 ARG A 74 65.925 34.331 19.771 1.00 0.00 N ATOM 1203 NH2 ARG A 74 68.134 34.973 19.647 1.00 0.00 N ATOM 0 H ARG A 74 63.253 38.450 22.415 1.00 0.00 H new ATOM 0 HA ARG A 74 64.111 39.895 20.996 1.00 0.00 H new ATOM 0 HB2 ARG A 74 62.710 38.012 19.126 1.00 0.00 H new ATOM 0 HB3 ARG A 74 63.808 39.266 18.583 1.00 0.00 H new ATOM 0 HG2 ARG A 74 65.572 38.324 20.129 1.00 0.00 H new ATOM 0 HG3 ARG A 74 64.472 37.021 20.535 1.00 0.00 H new ATOM 0 HD2 ARG A 74 64.505 36.150 18.291 1.00 0.00 H new ATOM 0 HD3 ARG A 74 65.248 37.604 17.653 1.00 0.00 H new ATOM 0 HE ARG A 74 67.332 36.891 18.372 1.00 0.00 H new ATOM 0 HH11 ARG A 74 64.937 34.504 19.588 1.00 0.00 H new ATOM 0 HH12 ARG A 74 66.213 33.479 20.252 1.00 0.00 H new ATOM 0 HH21 ARG A 74 68.852 35.642 19.367 1.00 0.00 H new ATOM 0 HH22 ARG A 74 68.398 34.114 20.130 1.00 0.00 H new ATOM 1217 N GLY A 75 61.923 41.440 21.335 1.00 0.00 N ATOM 1218 CA GLY A 75 61.053 42.597 21.272 1.00 0.00 C ATOM 1219 C GLY A 75 61.063 43.406 22.570 1.00 0.00 C ATOM 1220 O GLY A 75 61.243 44.620 22.514 1.00 0.00 O ATOM 0 H GLY A 75 62.203 41.215 22.289 1.00 0.00 H new ATOM 0 HA2 GLY A 75 61.363 43.237 20.446 1.00 0.00 H new ATOM 0 HA3 GLY A 75 60.035 42.271 21.058 1.00 0.00 H new ATOM 1224 N GLY A 76 60.957 42.737 23.716 1.00 0.00 N ATOM 1225 CA GLY A 76 61.173 43.279 25.043 1.00 0.00 C ATOM 1226 C GLY A 76 61.203 42.206 26.133 1.00 0.00 C ATOM 1227 O GLY A 76 60.803 42.522 27.274 1.00 0.00 O ATOM 1228 OXT GLY A 76 61.634 41.069 25.848 1.00 0.00 O ATOM 0 H GLY A 76 60.704 41.749 23.738 1.00 0.00 H new ATOM 0 HA2 GLY A 76 62.115 43.828 25.056 1.00 0.00 H new ATOM 0 HA3 GLY A 76 60.384 43.996 25.269 1.00 0.00 H new TER 1232 GLY A 76