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 60 ASN : amide:sc= 0.0231 K(o=0.22,f=-0.8) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.194 K(o=0.22,f=-0.61) USER MOD Set 2.1: A 25 ASN : amide:sc= -0.0656 K(o=0.081,f=-2.5) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 135:sc= 0.146 (180deg=0) USER MOD Set 3.1: A 7 THR OG1 : rot 133:sc= 1.48 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 1.04 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 177:sc= 2.33 (180deg=2.29) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -167:sc= 0.858 (180deg=0.762) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -66:sc= 0.151 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 56:sc= 1.21 USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 2.42 (180deg=2.41) USER MOD Single : A 31 GLN : amide:sc= -0.373 K(o=-0.37,f=-1.1) 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=-0.61) USER MOD Single : A 41 GLN : amide:sc= 1.66 K(o=1.7,f=-2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.96 K(o=0.96,f=-4.4!) USER MOD Single : A 55 THR OG1 : rot -91:sc= 0.117 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 100:sc= 0.557 USER MOD Single : A 63 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.014) USER MOD Single : A 65 SER OG : rot 80:sc= 1.23 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=-0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.628 52.164 19.734 1.00 0.00 N ATOM 2 CA MET A 1 32.768 52.513 21.156 1.00 0.00 C ATOM 3 C MET A 1 34.245 52.665 21.529 1.00 0.00 C ATOM 4 O MET A 1 35.120 52.186 20.812 1.00 0.00 O ATOM 5 CB MET A 1 31.982 51.576 22.066 1.00 0.00 C ATOM 6 CG MET A 1 32.387 50.104 22.054 1.00 0.00 C ATOM 7 SD MET A 1 33.924 49.709 22.925 1.00 0.00 S ATOM 8 CE MET A 1 33.828 47.902 22.956 1.00 0.00 C ATOM 0 H1 MET A 1 31.623 52.015 19.510 1.00 0.00 H new ATOM 0 H2 MET A 1 33.002 52.938 19.148 1.00 0.00 H new ATOM 0 H3 MET A 1 33.160 51.292 19.537 1.00 0.00 H new ATOM 0 HA MET A 1 32.309 53.488 21.319 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.069 51.944 23.088 1.00 0.00 H new ATOM 0 HB3 MET A 1 30.929 51.641 21.792 1.00 0.00 H new ATOM 0 HG2 MET A 1 31.580 49.520 22.496 1.00 0.00 H new ATOM 0 HG3 MET A 1 32.484 49.781 21.018 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.706 47.500 23.462 1.00 0.00 H new ATOM 0 HE2 MET A 1 32.929 47.595 23.490 1.00 0.00 H new ATOM 0 HE3 MET A 1 33.791 47.522 21.935 1.00 0.00 H new ATOM 20 N GLN A 2 34.532 53.359 22.627 1.00 0.00 N ATOM 21 CA GLN A 2 35.876 53.671 23.069 1.00 0.00 C ATOM 22 C GLN A 2 36.510 52.565 23.916 1.00 0.00 C ATOM 23 O GLN A 2 35.861 52.030 24.812 1.00 0.00 O ATOM 24 CB GLN A 2 35.894 55.011 23.797 1.00 0.00 C ATOM 25 CG GLN A 2 35.113 55.027 25.109 1.00 0.00 C ATOM 26 CD GLN A 2 35.051 56.398 25.786 1.00 0.00 C ATOM 27 OE1 GLN A 2 35.692 57.371 25.393 1.00 0.00 O ATOM 28 NE2 GLN A 2 34.276 56.524 26.859 1.00 0.00 N ATOM 0 H GLN A 2 33.811 53.728 23.247 1.00 0.00 H new ATOM 0 HA GLN A 2 36.494 53.744 22.174 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.929 55.286 24.001 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.486 55.775 23.136 1.00 0.00 H new ATOM 0 HG2 GLN A 2 34.097 54.682 24.918 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.567 54.314 25.798 1.00 0.00 H new ATOM 0 HE21 GLN A 2 33.738 55.726 27.196 1.00 0.00 H new ATOM 0 HE22 GLN A 2 34.219 57.419 27.345 1.00 0.00 H new ATOM 37 N ILE A 3 37.799 52.302 23.721 1.00 0.00 N ATOM 38 CA ILE A 3 38.637 51.587 24.662 1.00 0.00 C ATOM 39 C ILE A 3 39.998 52.272 24.804 1.00 0.00 C ATOM 40 O ILE A 3 40.388 53.057 23.942 1.00 0.00 O ATOM 41 CB ILE A 3 38.809 50.109 24.321 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.497 49.881 22.978 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.486 49.355 24.422 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.965 48.444 22.768 1.00 0.00 C ATOM 0 H ILE A 3 38.297 52.591 22.879 1.00 0.00 H new ATOM 0 HA ILE A 3 38.117 51.620 25.619 1.00 0.00 H new ATOM 0 HB ILE A 3 39.482 49.696 25.072 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.810 50.151 22.176 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.355 50.549 22.901 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.645 48.306 24.173 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.100 49.432 25.438 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.767 49.788 23.727 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.444 48.356 21.793 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.677 48.176 23.548 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.108 47.772 22.813 1.00 0.00 H new ATOM 56 N PHE A 4 40.729 51.967 25.872 1.00 0.00 N ATOM 57 CA PHE A 4 42.008 52.573 26.184 1.00 0.00 C ATOM 58 C PHE A 4 43.115 51.528 26.327 1.00 0.00 C ATOM 59 O PHE A 4 42.866 50.409 26.770 1.00 0.00 O ATOM 60 CB PHE A 4 41.878 53.440 27.432 1.00 0.00 C ATOM 61 CG PHE A 4 40.618 54.264 27.552 1.00 0.00 C ATOM 62 CD1 PHE A 4 40.187 55.081 26.500 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.860 54.204 28.728 1.00 0.00 C ATOM 64 CE1 PHE A 4 38.993 55.804 26.605 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.685 54.955 28.848 1.00 0.00 C ATOM 66 CZ PHE A 4 38.240 55.749 27.784 1.00 0.00 C ATOM 0 H PHE A 4 40.436 51.273 26.559 1.00 0.00 H new ATOM 0 HA PHE A 4 42.300 53.211 25.350 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.947 52.792 28.306 1.00 0.00 H new ATOM 0 HB3 PHE A 4 42.732 54.116 27.468 1.00 0.00 H new ATOM 0 HD1 PHE A 4 40.780 55.154 25.601 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.183 53.576 29.545 1.00 0.00 H new ATOM 0 HE1 PHE A 4 38.652 56.405 25.775 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.118 54.922 29.767 1.00 0.00 H new ATOM 0 HZ PHE A 4 37.324 56.314 27.872 1.00 0.00 H new ATOM 76 N VAL A 5 44.346 51.877 25.964 1.00 0.00 N ATOM 77 CA VAL A 5 45.496 50.997 26.025 1.00 0.00 C ATOM 78 C VAL A 5 46.656 51.674 26.757 1.00 0.00 C ATOM 79 O VAL A 5 47.067 52.773 26.393 1.00 0.00 O ATOM 80 CB VAL A 5 45.919 50.509 24.642 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.041 49.478 24.734 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.764 49.862 23.883 1.00 0.00 C ATOM 0 H VAL A 5 44.571 52.807 25.610 1.00 0.00 H new ATOM 0 HA VAL A 5 45.203 50.114 26.593 1.00 0.00 H new ATOM 0 HB VAL A 5 46.259 51.396 24.108 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.318 49.151 23.732 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.907 49.925 25.222 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.700 48.620 25.314 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.112 49.530 22.905 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.393 49.005 24.446 1.00 0.00 H new ATOM 0 HG23 VAL A 5 43.961 50.588 23.755 1.00 0.00 H new ATOM 92 N LYS A 6 47.188 51.016 27.783 1.00 0.00 N ATOM 93 CA LYS A 6 48.279 51.477 28.618 1.00 0.00 C ATOM 94 C LYS A 6 49.634 51.018 28.074 1.00 0.00 C ATOM 95 O LYS A 6 49.892 49.819 27.993 1.00 0.00 O ATOM 96 CB LYS A 6 48.032 50.973 30.037 1.00 0.00 C ATOM 97 CG LYS A 6 48.934 51.660 31.058 1.00 0.00 C ATOM 98 CD LYS A 6 48.842 50.952 32.407 1.00 0.00 C ATOM 99 CE LYS A 6 49.612 51.757 33.449 1.00 0.00 C ATOM 100 NZ LYS A 6 49.912 50.953 34.644 1.00 0.00 N ATOM 0 H LYS A 6 46.847 50.097 28.065 1.00 0.00 H new ATOM 0 HA LYS A 6 48.313 52.566 28.620 1.00 0.00 H new ATOM 0 HB2 LYS A 6 46.989 51.142 30.304 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.200 49.897 30.073 1.00 0.00 H new ATOM 0 HG2 LYS A 6 49.965 51.653 30.705 1.00 0.00 H new ATOM 0 HG3 LYS A 6 48.642 52.704 31.167 1.00 0.00 H new ATOM 0 HD2 LYS A 6 47.799 50.849 32.707 1.00 0.00 H new ATOM 0 HD3 LYS A 6 49.253 49.945 32.332 1.00 0.00 H new ATOM 0 HE2 LYS A 6 50.542 52.122 33.013 1.00 0.00 H new ATOM 0 HE3 LYS A 6 49.030 52.632 33.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 50.436 51.533 35.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 49.024 50.626 35.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 50.489 50.131 34.374 1.00 0.00 H new ATOM 114 N THR A 7 50.498 51.959 27.706 1.00 0.00 N ATOM 115 CA THR A 7 51.744 51.693 27.015 1.00 0.00 C ATOM 116 C THR A 7 52.937 51.486 27.950 1.00 0.00 C ATOM 117 O THR A 7 53.003 52.032 29.050 1.00 0.00 O ATOM 118 CB THR A 7 52.106 52.786 26.015 1.00 0.00 C ATOM 119 OG1 THR A 7 52.560 53.945 26.678 1.00 0.00 O ATOM 120 CG2 THR A 7 50.979 53.180 25.065 1.00 0.00 C ATOM 0 H THR A 7 50.342 52.951 27.887 1.00 0.00 H new ATOM 0 HA THR A 7 51.552 50.759 26.487 1.00 0.00 H new ATOM 0 HB THR A 7 52.897 52.347 25.407 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.381 54.266 26.251 1.00 0.00 H new ATOM 0 HG21 THR A 7 51.328 53.963 24.391 1.00 0.00 H new ATOM 0 HG22 THR A 7 50.673 52.310 24.484 1.00 0.00 H new ATOM 0 HG23 THR A 7 50.130 53.549 25.641 1.00 0.00 H new ATOM 128 N LEU A 8 53.953 50.781 27.460 1.00 0.00 N ATOM 129 CA LEU A 8 55.249 50.625 28.089 1.00 0.00 C ATOM 130 C LEU A 8 56.036 51.935 28.160 1.00 0.00 C ATOM 131 O LEU A 8 56.906 52.088 29.014 1.00 0.00 O ATOM 132 CB LEU A 8 56.021 49.572 27.299 1.00 0.00 C ATOM 133 CG LEU A 8 55.388 48.184 27.283 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.104 47.279 26.284 1.00 0.00 C ATOM 135 CD2 LEU A 8 55.432 47.519 28.655 1.00 0.00 C ATOM 0 H LEU A 8 53.886 50.282 26.573 1.00 0.00 H new ATOM 0 HA LEU A 8 55.105 50.312 29.123 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.128 49.918 26.271 1.00 0.00 H new ATOM 0 HB3 LEU A 8 57.025 49.492 27.715 1.00 0.00 H new ATOM 0 HG LEU A 8 54.347 48.320 26.992 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.638 46.294 26.287 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.033 47.711 25.286 1.00 0.00 H new ATOM 0 HD13 LEU A 8 57.153 47.185 26.565 1.00 0.00 H new ATOM 0 HD21 LEU A 8 54.971 46.533 28.597 1.00 0.00 H new ATOM 0 HD22 LEU A 8 56.468 47.416 28.976 1.00 0.00 H new ATOM 0 HD23 LEU A 8 54.888 48.132 29.374 1.00 0.00 H new ATOM 147 N THR A 9 55.711 52.907 27.311 1.00 0.00 N ATOM 148 CA THR A 9 56.227 54.261 27.326 1.00 0.00 C ATOM 149 C THR A 9 55.565 55.165 28.367 1.00 0.00 C ATOM 150 O THR A 9 55.966 56.317 28.517 1.00 0.00 O ATOM 151 CB THR A 9 56.139 54.898 25.941 1.00 0.00 C ATOM 152 OG1 THR A 9 54.821 54.851 25.443 1.00 0.00 O ATOM 153 CG2 THR A 9 57.034 54.176 24.936 1.00 0.00 C ATOM 0 H THR A 9 55.043 52.756 26.555 1.00 0.00 H new ATOM 0 HA THR A 9 57.273 54.170 27.618 1.00 0.00 H new ATOM 0 HB THR A 9 56.465 55.932 26.058 1.00 0.00 H new ATOM 0 HG1 THR A 9 54.791 55.267 24.556 1.00 0.00 H new ATOM 0 HG21 THR A 9 56.947 54.655 23.961 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.070 54.223 25.272 1.00 0.00 H new ATOM 0 HG23 THR A 9 56.725 53.134 24.857 1.00 0.00 H new ATOM 161 N GLY A 10 54.594 54.666 29.127 1.00 0.00 N ATOM 162 CA GLY A 10 54.025 55.340 30.276 1.00 0.00 C ATOM 163 C GLY A 10 52.866 56.295 29.983 1.00 0.00 C ATOM 164 O GLY A 10 52.593 57.159 30.814 1.00 0.00 O ATOM 0 H GLY A 10 54.173 53.754 28.950 1.00 0.00 H new ATOM 0 HA2 GLY A 10 53.679 54.585 30.982 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.816 55.901 30.773 1.00 0.00 H new ATOM 168 N LYS A 11 52.208 56.163 28.834 1.00 0.00 N ATOM 169 CA LYS A 11 51.011 56.893 28.466 1.00 0.00 C ATOM 170 C LYS A 11 49.809 55.956 28.325 1.00 0.00 C ATOM 171 O LYS A 11 49.972 54.746 28.181 1.00 0.00 O ATOM 172 CB LYS A 11 51.260 57.755 27.231 1.00 0.00 C ATOM 173 CG LYS A 11 51.600 56.958 25.975 1.00 0.00 C ATOM 174 CD LYS A 11 51.765 57.812 24.720 1.00 0.00 C ATOM 175 CE LYS A 11 51.987 56.874 23.537 1.00 0.00 C ATOM 176 NZ LYS A 11 52.341 57.576 22.293 1.00 0.00 N ATOM 0 H LYS A 11 52.512 55.515 28.107 1.00 0.00 H new ATOM 0 HA LYS A 11 50.757 57.580 29.273 1.00 0.00 H new ATOM 0 HB2 LYS A 11 50.373 58.358 27.037 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.076 58.446 27.442 1.00 0.00 H new ATOM 0 HG2 LYS A 11 52.522 56.404 26.148 1.00 0.00 H new ATOM 0 HG3 LYS A 11 50.814 56.223 25.800 1.00 0.00 H new ATOM 0 HD2 LYS A 11 50.879 58.426 24.558 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.609 58.492 24.830 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.780 56.169 23.786 1.00 0.00 H new ATOM 0 HE3 LYS A 11 51.082 56.290 23.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 52.263 56.920 21.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 51.693 58.377 22.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 53.318 57.928 22.359 1.00 0.00 H new ATOM 190 N THR A 12 48.599 56.507 28.322 1.00 0.00 N ATOM 191 CA THR A 12 47.392 55.797 27.946 1.00 0.00 C ATOM 192 C THR A 12 46.835 56.380 26.646 1.00 0.00 C ATOM 193 O THR A 12 46.534 57.569 26.569 1.00 0.00 O ATOM 194 CB THR A 12 46.374 55.798 29.083 1.00 0.00 C ATOM 195 OG1 THR A 12 46.861 55.009 30.145 1.00 0.00 O ATOM 196 CG2 THR A 12 45.042 55.171 28.684 1.00 0.00 C ATOM 0 H THR A 12 48.432 57.478 28.587 1.00 0.00 H new ATOM 0 HA THR A 12 47.631 54.750 27.760 1.00 0.00 H new ATOM 0 HB THR A 12 46.224 56.843 29.355 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.210 55.009 30.878 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.358 55.200 29.532 1.00 0.00 H new ATOM 0 HG22 THR A 12 44.612 55.729 27.852 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.203 54.136 28.382 1.00 0.00 H new ATOM 204 N ILE A 13 46.714 55.550 25.613 1.00 0.00 N ATOM 205 CA ILE A 13 46.199 55.921 24.310 1.00 0.00 C ATOM 206 C ILE A 13 44.742 55.481 24.150 1.00 0.00 C ATOM 207 O ILE A 13 44.325 54.467 24.705 1.00 0.00 O ATOM 208 CB ILE A 13 47.098 55.444 23.174 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.220 53.926 23.094 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.465 56.115 23.286 1.00 0.00 C ATOM 211 CD1 ILE A 13 48.004 53.413 21.890 1.00 0.00 C ATOM 0 H ILE A 13 46.983 54.568 25.668 1.00 0.00 H new ATOM 0 HA ILE A 13 46.208 57.009 24.247 1.00 0.00 H new ATOM 0 HB ILE A 13 46.626 55.741 22.238 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.700 53.565 24.004 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.219 53.495 23.069 1.00 0.00 H new ATOM 0 HG21 ILE A 13 49.106 55.773 22.473 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.346 57.197 23.223 1.00 0.00 H new ATOM 0 HG23 ILE A 13 48.921 55.855 24.241 1.00 0.00 H new ATOM 0 HD11 ILE A 13 48.039 52.324 21.916 1.00 0.00 H new ATOM 0 HD12 ILE A 13 47.515 53.739 20.972 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.019 53.809 21.921 1.00 0.00 H new ATOM 223 N THR A 14 43.969 56.235 23.373 1.00 0.00 N ATOM 224 CA THR A 14 42.556 56.014 23.139 1.00 0.00 C ATOM 225 C THR A 14 42.304 55.467 21.733 1.00 0.00 C ATOM 226 O THR A 14 42.896 55.950 20.770 1.00 0.00 O ATOM 227 CB THR A 14 41.790 57.311 23.387 1.00 0.00 C ATOM 228 OG1 THR A 14 41.857 57.646 24.755 1.00 0.00 O ATOM 229 CG2 THR A 14 40.307 57.216 23.042 1.00 0.00 C ATOM 0 H THR A 14 44.330 57.047 22.872 1.00 0.00 H new ATOM 0 HA THR A 14 42.194 55.259 23.837 1.00 0.00 H new ATOM 0 HB THR A 14 42.258 58.057 22.744 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.374 56.974 25.280 1.00 0.00 H new ATOM 0 HG21 THR A 14 39.825 58.173 23.243 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.194 56.967 21.987 1.00 0.00 H new ATOM 0 HG23 THR A 14 39.841 56.440 23.650 1.00 0.00 H new ATOM 237 N LEU A 15 41.410 54.491 21.612 1.00 0.00 N ATOM 238 CA LEU A 15 41.038 53.819 20.384 1.00 0.00 C ATOM 239 C LEU A 15 39.519 53.760 20.214 1.00 0.00 C ATOM 240 O LEU A 15 38.781 53.866 21.191 1.00 0.00 O ATOM 241 CB LEU A 15 41.682 52.435 20.415 1.00 0.00 C ATOM 242 CG LEU A 15 41.661 51.627 19.122 1.00 0.00 C ATOM 243 CD1 LEU A 15 42.469 52.292 18.011 1.00 0.00 C ATOM 244 CD2 LEU A 15 42.260 50.243 19.358 1.00 0.00 C ATOM 0 H LEU A 15 40.899 54.131 22.418 1.00 0.00 H new ATOM 0 HA LEU A 15 41.399 54.371 19.516 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.721 52.553 20.723 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.185 51.849 21.188 1.00 0.00 H new ATOM 0 HG LEU A 15 40.617 51.561 18.816 1.00 0.00 H new ATOM 0 HD11 LEU A 15 42.424 51.679 17.111 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.055 53.278 17.800 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.507 52.395 18.328 1.00 0.00 H new ATOM 0 HD21 LEU A 15 42.240 49.675 18.428 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.290 50.346 19.698 1.00 0.00 H new ATOM 0 HD23 LEU A 15 41.678 49.719 20.116 1.00 0.00 H new ATOM 256 N GLU A 16 39.039 53.578 18.987 1.00 0.00 N ATOM 257 CA GLU A 16 37.651 53.311 18.665 1.00 0.00 C ATOM 258 C GLU A 16 37.519 51.925 18.030 1.00 0.00 C ATOM 259 O GLU A 16 38.244 51.616 17.087 1.00 0.00 O ATOM 260 CB GLU A 16 37.115 54.379 17.716 1.00 0.00 C ATOM 261 CG GLU A 16 35.592 54.412 17.621 1.00 0.00 C ATOM 262 CD GLU A 16 34.926 54.990 18.872 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.485 55.905 19.514 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.798 54.572 19.213 1.00 0.00 O ATOM 0 H GLU A 16 39.635 53.615 18.160 1.00 0.00 H new ATOM 0 HA GLU A 16 37.065 53.335 19.584 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.470 55.355 18.045 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.528 54.208 16.722 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.301 55.005 16.754 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.222 53.400 17.454 1.00 0.00 H new ATOM 271 N VAL A 17 36.617 51.101 18.554 1.00 0.00 N ATOM 272 CA VAL A 17 36.420 49.711 18.190 1.00 0.00 C ATOM 273 C VAL A 17 34.938 49.333 18.172 1.00 0.00 C ATOM 274 O VAL A 17 34.112 49.976 18.814 1.00 0.00 O ATOM 275 CB VAL A 17 37.167 48.786 19.146 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.669 49.061 19.183 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.641 48.853 20.577 1.00 0.00 C ATOM 0 H VAL A 17 35.972 51.406 19.283 1.00 0.00 H new ATOM 0 HA VAL A 17 36.819 49.589 17.183 1.00 0.00 H new ATOM 0 HB VAL A 17 36.988 47.789 18.743 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.148 48.373 19.880 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.089 48.920 18.187 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.843 50.087 19.508 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.213 48.172 21.207 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.743 49.870 20.955 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.590 48.564 20.592 1.00 0.00 H new ATOM 287 N GLU A 18 34.601 48.231 17.507 1.00 0.00 N ATOM 288 CA GLU A 18 33.355 47.520 17.705 1.00 0.00 C ATOM 289 C GLU A 18 33.565 46.324 18.637 1.00 0.00 C ATOM 290 O GLU A 18 34.622 45.699 18.578 1.00 0.00 O ATOM 291 CB GLU A 18 32.785 47.039 16.374 1.00 0.00 C ATOM 292 CG GLU A 18 31.993 48.104 15.622 1.00 0.00 C ATOM 293 CD GLU A 18 30.690 48.469 16.335 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.787 47.607 16.419 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.554 49.615 16.813 1.00 0.00 O ATOM 0 H GLU A 18 35.203 47.804 16.803 1.00 0.00 H new ATOM 0 HA GLU A 18 32.644 48.210 18.161 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.604 46.695 15.742 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.139 46.180 16.555 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.606 48.998 15.510 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.767 47.745 14.618 1.00 0.00 H new ATOM 302 N PRO A 19 32.577 45.919 19.430 1.00 0.00 N ATOM 303 CA PRO A 19 32.653 44.709 20.225 1.00 0.00 C ATOM 304 C PRO A 19 32.965 43.438 19.433 1.00 0.00 C ATOM 305 O PRO A 19 33.642 42.546 19.939 1.00 0.00 O ATOM 306 CB PRO A 19 31.309 44.612 20.941 1.00 0.00 C ATOM 307 CG PRO A 19 30.843 46.061 21.046 1.00 0.00 C ATOM 308 CD PRO A 19 31.384 46.674 19.757 1.00 0.00 C ATOM 0 HA PRO A 19 33.495 44.778 20.914 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.600 44.004 20.379 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.413 44.153 21.924 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.757 46.135 21.106 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.246 46.554 21.931 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.649 46.610 18.955 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.615 47.730 19.894 1.00 0.00 H new ATOM 316 N SER A 20 32.525 43.369 18.179 1.00 0.00 N ATOM 317 CA SER A 20 32.815 42.293 17.253 1.00 0.00 C ATOM 318 C SER A 20 34.211 42.310 16.628 1.00 0.00 C ATOM 319 O SER A 20 34.530 41.389 15.881 1.00 0.00 O ATOM 320 CB SER A 20 31.790 42.282 16.123 1.00 0.00 C ATOM 321 OG SER A 20 30.485 42.139 16.638 1.00 0.00 O ATOM 0 H SER A 20 31.934 44.093 17.770 1.00 0.00 H new ATOM 0 HA SER A 20 32.766 41.394 17.867 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.862 43.207 15.551 1.00 0.00 H new ATOM 0 HB3 SER A 20 32.007 41.464 15.436 1.00 0.00 H new ATOM 0 HG SER A 20 29.841 42.136 15.900 1.00 0.00 H new ATOM 327 N ASP A 21 35.043 43.318 16.883 1.00 0.00 N ATOM 328 CA ASP A 21 36.388 43.353 16.344 1.00 0.00 C ATOM 329 C ASP A 21 37.287 42.297 16.990 1.00 0.00 C ATOM 330 O ASP A 21 37.186 42.002 18.178 1.00 0.00 O ATOM 331 CB ASP A 21 37.016 44.737 16.482 1.00 0.00 C ATOM 332 CG ASP A 21 36.489 45.777 15.492 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.169 45.428 14.335 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.528 46.980 15.829 1.00 0.00 O ATOM 0 H ASP A 21 34.802 44.122 17.463 1.00 0.00 H new ATOM 0 HA ASP A 21 36.303 43.122 15.282 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.845 45.100 17.495 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.095 44.647 16.354 1.00 0.00 H new ATOM 339 N THR A 22 38.194 41.737 16.194 1.00 0.00 N ATOM 340 CA THR A 22 39.116 40.703 16.622 1.00 0.00 C ATOM 341 C THR A 22 40.429 41.261 17.179 1.00 0.00 C ATOM 342 O THR A 22 40.889 42.325 16.774 1.00 0.00 O ATOM 343 CB THR A 22 39.322 39.645 15.542 1.00 0.00 C ATOM 344 OG1 THR A 22 40.081 38.576 16.063 1.00 0.00 O ATOM 345 CG2 THR A 22 40.051 40.157 14.304 1.00 0.00 C ATOM 0 H THR A 22 38.306 41.999 15.215 1.00 0.00 H new ATOM 0 HA THR A 22 38.646 40.197 17.465 1.00 0.00 H new ATOM 0 HB THR A 22 38.321 39.337 15.240 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.636 38.216 16.858 1.00 0.00 H new ATOM 0 HG21 THR A 22 40.158 39.346 13.584 1.00 0.00 H new ATOM 0 HG22 THR A 22 39.479 40.968 13.854 1.00 0.00 H new ATOM 0 HG23 THR A 22 41.038 40.523 14.588 1.00 0.00 H new ATOM 353 N ILE A 23 41.061 40.531 18.093 1.00 0.00 N ATOM 354 CA ILE A 23 42.246 40.961 18.807 1.00 0.00 C ATOM 355 C ILE A 23 43.414 41.221 17.852 1.00 0.00 C ATOM 356 O ILE A 23 44.123 42.208 18.031 1.00 0.00 O ATOM 357 CB ILE A 23 42.585 39.978 19.924 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.754 40.204 21.184 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.044 40.035 20.368 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.241 40.062 21.049 1.00 0.00 C ATOM 0 H ILE A 23 40.749 39.598 18.361 1.00 0.00 H new ATOM 0 HA ILE A 23 42.038 41.919 19.285 1.00 0.00 H new ATOM 0 HB ILE A 23 42.364 39.010 19.475 1.00 0.00 H new ATOM 0 HG12 ILE A 23 42.094 39.501 21.945 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.969 41.206 21.557 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.211 39.309 21.164 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.691 39.801 19.523 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.274 41.035 20.735 1.00 0.00 H new ATOM 0 HD11 ILE A 23 39.771 40.247 22.015 1.00 0.00 H new ATOM 0 HD12 ILE A 23 39.871 40.784 20.321 1.00 0.00 H new ATOM 0 HD13 ILE A 23 39.999 39.053 20.715 1.00 0.00 H new ATOM 372 N GLU A 24 43.593 40.427 16.800 1.00 0.00 N ATOM 373 CA GLU A 24 44.641 40.672 15.830 1.00 0.00 C ATOM 374 C GLU A 24 44.427 41.956 15.026 1.00 0.00 C ATOM 375 O GLU A 24 45.386 42.662 14.724 1.00 0.00 O ATOM 376 CB GLU A 24 44.806 39.445 14.939 1.00 0.00 C ATOM 377 CG GLU A 24 45.959 39.598 13.951 1.00 0.00 C ATOM 378 CD GLU A 24 46.444 38.235 13.450 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.846 37.669 12.510 1.00 0.00 O ATOM 380 OE2 GLU A 24 47.435 37.717 14.009 1.00 0.00 O ATOM 0 H GLU A 24 43.020 39.607 16.602 1.00 0.00 H new ATOM 0 HA GLU A 24 45.572 40.838 16.373 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.978 38.567 15.562 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.881 39.270 14.390 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.638 40.206 13.105 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.783 40.127 14.429 1.00 0.00 H new ATOM 387 N ASN A 25 43.182 42.331 14.743 1.00 0.00 N ATOM 388 CA ASN A 25 42.872 43.592 14.101 1.00 0.00 C ATOM 389 C ASN A 25 43.076 44.780 15.042 1.00 0.00 C ATOM 390 O ASN A 25 43.608 45.805 14.625 1.00 0.00 O ATOM 391 CB ASN A 25 41.463 43.508 13.521 1.00 0.00 C ATOM 392 CG ASN A 25 41.077 44.784 12.770 1.00 0.00 C ATOM 393 OD1 ASN A 25 40.199 45.530 13.198 1.00 0.00 O ATOM 394 ND2 ASN A 25 41.723 45.063 11.642 1.00 0.00 N ATOM 0 H ASN A 25 42.362 41.763 14.956 1.00 0.00 H new ATOM 0 HA ASN A 25 43.568 43.772 13.281 1.00 0.00 H new ATOM 0 HB2 ASN A 25 41.399 42.656 12.845 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.749 43.331 14.326 1.00 0.00 H new ATOM 0 HD21 ASN A 25 41.493 45.907 11.118 1.00 0.00 H new ATOM 0 HD22 ASN A 25 42.449 44.433 11.301 1.00 0.00 H new ATOM 401 N VAL A 26 42.775 44.634 16.330 1.00 0.00 N ATOM 402 CA VAL A 26 43.129 45.616 17.337 1.00 0.00 C ATOM 403 C VAL A 26 44.647 45.774 17.438 1.00 0.00 C ATOM 404 O VAL A 26 45.134 46.903 17.415 1.00 0.00 O ATOM 405 CB VAL A 26 42.486 45.285 18.680 1.00 0.00 C ATOM 406 CG1 VAL A 26 42.944 46.223 19.793 1.00 0.00 C ATOM 407 CG2 VAL A 26 40.966 45.395 18.603 1.00 0.00 C ATOM 0 H VAL A 26 42.276 43.825 16.701 1.00 0.00 H new ATOM 0 HA VAL A 26 42.730 46.582 17.029 1.00 0.00 H new ATOM 0 HB VAL A 26 42.796 44.265 18.907 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.457 45.944 20.727 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.025 46.147 19.911 1.00 0.00 H new ATOM 0 HG13 VAL A 26 42.678 47.249 19.537 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.534 45.154 19.574 1.00 0.00 H new ATOM 0 HG22 VAL A 26 40.688 46.412 18.325 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.588 44.698 17.855 1.00 0.00 H new ATOM 417 N LYS A 27 45.415 44.688 17.423 1.00 0.00 N ATOM 418 CA LYS A 27 46.862 44.733 17.342 1.00 0.00 C ATOM 419 C LYS A 27 47.355 45.448 16.082 1.00 0.00 C ATOM 420 O LYS A 27 48.282 46.249 16.171 1.00 0.00 O ATOM 421 CB LYS A 27 47.457 43.329 17.388 1.00 0.00 C ATOM 422 CG LYS A 27 47.422 42.630 18.744 1.00 0.00 C ATOM 423 CD LYS A 27 47.977 41.219 18.571 1.00 0.00 C ATOM 424 CE LYS A 27 48.356 40.545 19.887 1.00 0.00 C ATOM 425 NZ LYS A 27 49.112 39.316 19.603 1.00 0.00 N ATOM 0 H LYS A 27 45.039 43.741 17.468 1.00 0.00 H new ATOM 0 HA LYS A 27 47.198 45.302 18.209 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.926 42.707 16.668 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.494 43.385 17.057 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.014 43.184 19.472 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.402 42.592 19.125 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.235 40.606 18.059 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.856 41.260 17.927 1.00 0.00 H new ATOM 0 HE2 LYS A 27 48.955 41.222 20.496 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.459 40.310 20.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.401 38.872 20.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.513 38.656 19.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.957 39.550 19.044 1.00 0.00 H new ATOM 439 N ALA A 28 46.742 45.212 14.925 1.00 0.00 N ATOM 440 CA ALA A 28 47.086 45.872 13.682 1.00 0.00 C ATOM 441 C ALA A 28 46.796 47.375 13.689 1.00 0.00 C ATOM 442 O ALA A 28 47.528 48.137 13.063 1.00 0.00 O ATOM 443 CB ALA A 28 46.366 45.167 12.537 1.00 0.00 C ATOM 0 H ALA A 28 45.978 44.543 14.830 1.00 0.00 H new ATOM 0 HA ALA A 28 48.165 45.795 13.548 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.616 45.654 11.595 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.677 44.123 12.500 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.289 45.219 12.697 1.00 0.00 H new ATOM 449 N LYS A 29 45.788 47.827 14.431 1.00 0.00 N ATOM 450 CA LYS A 29 45.483 49.227 14.648 1.00 0.00 C ATOM 451 C LYS A 29 46.429 49.882 15.656 1.00 0.00 C ATOM 452 O LYS A 29 46.797 51.039 15.470 1.00 0.00 O ATOM 453 CB LYS A 29 44.020 49.369 15.061 1.00 0.00 C ATOM 454 CG LYS A 29 43.078 49.082 13.897 1.00 0.00 C ATOM 455 CD LYS A 29 41.628 48.982 14.366 1.00 0.00 C ATOM 456 CE LYS A 29 40.723 48.622 13.191 1.00 0.00 C ATOM 457 NZ LYS A 29 39.341 48.407 13.645 1.00 0.00 N ATOM 0 H LYS A 29 45.142 47.201 14.912 1.00 0.00 H new ATOM 0 HA LYS A 29 45.638 49.762 13.711 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.805 48.684 15.881 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.843 50.378 15.433 1.00 0.00 H new ATOM 0 HG2 LYS A 29 43.167 49.872 13.151 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.370 48.151 13.411 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.541 48.227 15.147 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.312 49.930 14.802 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.747 49.420 12.449 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.095 47.721 12.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.684 48.892 13.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.132 47.388 13.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 39.228 48.789 14.606 1.00 0.00 H new ATOM 471 N ILE A 30 46.882 49.143 16.665 1.00 0.00 N ATOM 472 CA ILE A 30 47.917 49.558 17.591 1.00 0.00 C ATOM 473 C ILE A 30 49.275 49.670 16.892 1.00 0.00 C ATOM 474 O ILE A 30 50.017 50.615 17.149 1.00 0.00 O ATOM 475 CB ILE A 30 47.956 48.626 18.799 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.707 48.812 19.655 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.202 48.833 19.654 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.484 47.706 20.683 1.00 0.00 C ATOM 0 H ILE A 30 46.523 48.209 16.862 1.00 0.00 H new ATOM 0 HA ILE A 30 47.677 50.556 17.959 1.00 0.00 H new ATOM 0 HB ILE A 30 47.988 47.608 18.412 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.775 49.768 20.175 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.837 48.866 19.001 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.181 48.146 20.500 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.091 48.642 19.053 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.225 49.859 20.021 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.576 47.914 21.250 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.382 46.749 20.171 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.335 47.665 21.363 1.00 0.00 H new ATOM 490 N GLN A 31 49.595 48.775 15.963 1.00 0.00 N ATOM 491 CA GLN A 31 50.831 48.777 15.207 1.00 0.00 C ATOM 492 C GLN A 31 51.034 50.071 14.417 1.00 0.00 C ATOM 493 O GLN A 31 52.153 50.574 14.349 1.00 0.00 O ATOM 494 CB GLN A 31 50.838 47.560 14.285 1.00 0.00 C ATOM 495 CG GLN A 31 52.143 47.375 13.516 1.00 0.00 C ATOM 496 CD GLN A 31 52.081 46.233 12.501 1.00 0.00 C ATOM 497 OE1 GLN A 31 51.024 45.806 12.043 1.00 0.00 O ATOM 498 NE2 GLN A 31 53.222 45.695 12.080 1.00 0.00 N ATOM 0 H GLN A 31 48.976 48.004 15.711 1.00 0.00 H new ATOM 0 HA GLN A 31 51.666 48.722 15.905 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.647 46.666 14.878 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.018 47.651 13.573 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.387 48.302 12.997 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.951 47.183 14.222 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.111 46.034 12.447 1.00 0.00 H new ATOM 0 HE22 GLN A 31 53.208 44.944 11.390 1.00 0.00 H new ATOM 507 N ASP A 32 49.979 50.658 13.859 1.00 0.00 N ATOM 508 CA ASP A 32 50.054 51.915 13.141 1.00 0.00 C ATOM 509 C ASP A 32 50.354 53.123 14.030 1.00 0.00 C ATOM 510 O ASP A 32 50.840 54.138 13.537 1.00 0.00 O ATOM 511 CB ASP A 32 48.760 52.095 12.351 1.00 0.00 C ATOM 512 CG ASP A 32 48.824 53.264 11.366 1.00 0.00 C ATOM 513 OD1 ASP A 32 49.780 53.330 10.562 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.885 54.089 11.353 1.00 0.00 O ATOM 0 H ASP A 32 49.039 50.265 13.896 1.00 0.00 H new ATOM 0 HA ASP A 32 50.906 51.866 12.463 1.00 0.00 H new ATOM 0 HB2 ASP A 32 48.543 51.177 11.805 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.935 52.256 13.045 1.00 0.00 H new ATOM 519 N LYS A 33 50.118 53.027 15.336 1.00 0.00 N ATOM 520 CA LYS A 33 50.428 54.043 16.320 1.00 0.00 C ATOM 521 C LYS A 33 51.769 53.823 17.022 1.00 0.00 C ATOM 522 O LYS A 33 52.518 54.782 17.201 1.00 0.00 O ATOM 523 CB LYS A 33 49.292 54.137 17.334 1.00 0.00 C ATOM 524 CG LYS A 33 47.928 54.524 16.767 1.00 0.00 C ATOM 525 CD LYS A 33 47.890 55.909 16.129 1.00 0.00 C ATOM 526 CE LYS A 33 46.457 56.256 15.736 1.00 0.00 C ATOM 527 NZ LYS A 33 46.363 57.586 15.117 1.00 0.00 N ATOM 0 H LYS A 33 49.686 52.200 15.748 1.00 0.00 H new ATOM 0 HA LYS A 33 50.527 54.988 15.785 1.00 0.00 H new ATOM 0 HB2 LYS A 33 49.196 53.174 17.835 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.569 54.866 18.095 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.633 53.784 16.023 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.189 54.484 17.567 1.00 0.00 H new ATOM 0 HD2 LYS A 33 48.276 56.652 16.827 1.00 0.00 H new ATOM 0 HD3 LYS A 33 48.534 55.933 15.250 1.00 0.00 H new ATOM 0 HE2 LYS A 33 46.080 55.505 15.042 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.820 56.222 16.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 45.373 57.783 14.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 46.699 58.306 15.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 46.950 57.612 14.259 1.00 0.00 H new ATOM 541 N GLU A 34 52.084 52.592 17.414 1.00 0.00 N ATOM 542 CA GLU A 34 53.159 52.254 18.326 1.00 0.00 C ATOM 543 C GLU A 34 54.158 51.225 17.791 1.00 0.00 C ATOM 544 O GLU A 34 55.050 50.787 18.513 1.00 0.00 O ATOM 545 CB GLU A 34 52.557 51.812 19.656 1.00 0.00 C ATOM 546 CG GLU A 34 51.720 52.862 20.381 1.00 0.00 C ATOM 547 CD GLU A 34 52.503 54.115 20.778 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.673 54.001 21.207 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.954 55.235 20.694 1.00 0.00 O ATOM 0 H GLU A 34 51.572 51.772 17.088 1.00 0.00 H new ATOM 0 HA GLU A 34 53.757 53.156 18.458 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.934 50.935 19.479 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.367 51.500 20.315 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.887 53.154 19.741 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.291 52.415 21.278 1.00 0.00 H new ATOM 556 N GLY A 35 54.045 50.796 16.537 1.00 0.00 N ATOM 557 CA GLY A 35 55.101 50.143 15.790 1.00 0.00 C ATOM 558 C GLY A 35 55.417 48.677 16.088 1.00 0.00 C ATOM 559 O GLY A 35 56.039 48.031 15.247 1.00 0.00 O ATOM 0 H GLY A 35 53.184 50.900 16.000 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.851 50.218 14.732 1.00 0.00 H new ATOM 0 HA3 GLY A 35 56.016 50.715 15.943 1.00 0.00 H new ATOM 563 N ILE A 36 54.994 48.120 17.219 1.00 0.00 N ATOM 564 CA ILE A 36 55.228 46.735 17.576 1.00 0.00 C ATOM 565 C ILE A 36 54.406 45.811 16.676 1.00 0.00 C ATOM 566 O ILE A 36 53.200 46.020 16.571 1.00 0.00 O ATOM 567 CB ILE A 36 54.908 46.474 19.045 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.536 47.453 20.032 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.284 45.053 19.453 1.00 0.00 C ATOM 570 CD1 ILE A 36 57.056 47.577 19.966 1.00 0.00 C ATOM 0 H ILE A 36 54.468 48.635 17.925 1.00 0.00 H new ATOM 0 HA ILE A 36 56.287 46.525 17.427 1.00 0.00 H new ATOM 0 HB ILE A 36 53.830 46.621 19.105 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.102 48.439 19.864 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.258 47.151 21.042 1.00 0.00 H new ATOM 0 HG21 ILE A 36 55.043 44.901 20.505 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.726 44.340 18.846 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.352 44.901 19.300 1.00 0.00 H new ATOM 0 HD11 ILE A 36 57.395 48.298 20.710 1.00 0.00 H new ATOM 0 HD12 ILE A 36 57.509 46.607 20.169 1.00 0.00 H new ATOM 0 HD13 ILE A 36 57.351 47.915 18.972 1.00 0.00 H new ATOM 582 N PRO A 37 54.971 44.790 16.038 1.00 0.00 N ATOM 583 CA PRO A 37 54.209 43.880 15.209 1.00 0.00 C ATOM 584 C PRO A 37 53.259 43.005 16.028 1.00 0.00 C ATOM 585 O PRO A 37 53.611 42.628 17.143 1.00 0.00 O ATOM 586 CB PRO A 37 55.240 43.042 14.458 1.00 0.00 C ATOM 587 CG PRO A 37 56.444 43.038 15.395 1.00 0.00 C ATOM 588 CD PRO A 37 56.370 44.417 16.045 1.00 0.00 C ATOM 0 HA PRO A 37 53.563 44.428 14.523 1.00 0.00 H new ATOM 0 HB2 PRO A 37 54.876 42.032 14.268 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.486 43.480 13.490 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.380 42.239 16.133 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.379 42.896 14.852 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.761 44.390 17.062 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.969 45.141 15.493 1.00 0.00 H new ATOM 596 N PRO A 38 52.094 42.627 15.510 1.00 0.00 N ATOM 597 CA PRO A 38 51.112 41.825 16.212 1.00 0.00 C ATOM 598 C PRO A 38 51.638 40.558 16.890 1.00 0.00 C ATOM 599 O PRO A 38 51.224 40.255 18.007 1.00 0.00 O ATOM 600 CB PRO A 38 50.043 41.493 15.176 1.00 0.00 C ATOM 601 CG PRO A 38 50.055 42.720 14.268 1.00 0.00 C ATOM 602 CD PRO A 38 51.537 43.083 14.252 1.00 0.00 C ATOM 0 HA PRO A 38 50.736 42.402 17.057 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.282 40.582 14.627 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.067 41.341 15.637 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.679 42.494 13.270 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.440 43.528 14.665 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.042 42.608 13.411 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.670 44.159 14.138 1.00 0.00 H new ATOM 610 N ASP A 39 52.598 39.859 16.291 1.00 0.00 N ATOM 611 CA ASP A 39 53.221 38.678 16.855 1.00 0.00 C ATOM 612 C ASP A 39 54.053 38.961 18.107 1.00 0.00 C ATOM 613 O ASP A 39 54.121 38.111 18.992 1.00 0.00 O ATOM 614 CB ASP A 39 54.049 38.026 15.750 1.00 0.00 C ATOM 615 CG ASP A 39 54.904 36.840 16.199 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.140 36.931 16.035 1.00 0.00 O ATOM 617 OD2 ASP A 39 54.381 35.829 16.713 1.00 0.00 O ATOM 0 H ASP A 39 52.970 40.110 15.375 1.00 0.00 H new ATOM 0 HA ASP A 39 52.443 37.999 17.204 1.00 0.00 H new ATOM 0 HB2 ASP A 39 53.375 37.691 14.961 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.702 38.781 15.312 1.00 0.00 H new ATOM 622 N GLN A 40 54.646 40.143 18.240 1.00 0.00 N ATOM 623 CA GLN A 40 55.386 40.547 19.420 1.00 0.00 C ATOM 624 C GLN A 40 54.531 41.284 20.453 1.00 0.00 C ATOM 625 O GLN A 40 54.930 41.364 21.613 1.00 0.00 O ATOM 626 CB GLN A 40 56.597 41.394 19.040 1.00 0.00 C ATOM 627 CG GLN A 40 57.625 40.631 18.209 1.00 0.00 C ATOM 628 CD GLN A 40 58.916 41.420 17.981 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.117 42.527 18.477 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.869 40.863 17.240 1.00 0.00 N ATOM 0 H GLN A 40 54.622 40.858 17.513 1.00 0.00 H new ATOM 0 HA GLN A 40 55.721 39.624 19.892 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.261 42.266 18.480 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.074 41.763 19.948 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.863 39.692 18.709 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.187 40.376 17.244 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.718 39.945 16.821 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.751 41.353 17.090 1.00 0.00 H new ATOM 639 N GLN A 41 53.368 41.803 20.070 1.00 0.00 N ATOM 640 CA GLN A 41 52.404 42.360 20.996 1.00 0.00 C ATOM 641 C GLN A 41 51.783 41.266 21.866 1.00 0.00 C ATOM 642 O GLN A 41 51.377 40.218 21.370 1.00 0.00 O ATOM 643 CB GLN A 41 51.291 43.117 20.276 1.00 0.00 C ATOM 644 CG GLN A 41 51.720 44.407 19.582 1.00 0.00 C ATOM 645 CD GLN A 41 50.535 45.148 18.958 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.459 45.265 19.538 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.659 45.670 17.741 1.00 0.00 N ATOM 0 H GLN A 41 53.071 41.846 19.095 1.00 0.00 H new ATOM 0 HA GLN A 41 52.950 43.062 21.626 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.846 42.455 19.533 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.510 43.355 20.998 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.215 45.058 20.302 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.451 44.175 18.807 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.542 45.587 17.238 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.871 46.154 17.311 1.00 0.00 H new ATOM 656 N ARG A 42 51.624 41.551 23.156 1.00 0.00 N ATOM 657 CA ARG A 42 50.787 40.809 24.077 1.00 0.00 C ATOM 658 C ARG A 42 49.780 41.777 24.704 1.00 0.00 C ATOM 659 O ARG A 42 50.188 42.771 25.299 1.00 0.00 O ATOM 660 CB ARG A 42 51.632 40.125 25.147 1.00 0.00 C ATOM 661 CG ARG A 42 52.715 39.214 24.576 1.00 0.00 C ATOM 662 CD ARG A 42 53.552 38.539 25.658 1.00 0.00 C ATOM 663 NE ARG A 42 52.772 37.580 26.442 1.00 0.00 N ATOM 664 CZ ARG A 42 52.625 37.561 27.774 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.361 38.325 28.594 1.00 0.00 N ATOM 666 NH2 ARG A 42 51.705 36.762 28.330 1.00 0.00 N ATOM 0 H ARG A 42 52.097 42.338 23.600 1.00 0.00 H new ATOM 0 HA ARG A 42 50.253 40.024 23.541 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.100 40.886 25.771 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.980 39.539 25.795 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.249 38.450 23.954 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.369 39.797 23.928 1.00 0.00 H new ATOM 0 HD2 ARG A 42 54.396 38.027 25.196 1.00 0.00 H new ATOM 0 HD3 ARG A 42 53.965 39.298 26.322 1.00 0.00 H new ATOM 0 HE ARG A 42 52.289 36.849 25.919 1.00 0.00 H new ATOM 0 HH11 ARG A 42 54.067 38.953 28.209 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.215 38.278 29.602 1.00 0.00 H new ATOM 0 HH21 ARG A 42 51.119 36.171 27.740 1.00 0.00 H new ATOM 0 HH22 ARG A 42 51.590 36.745 29.343 1.00 0.00 H new ATOM 680 N LEU A 43 48.487 41.504 24.556 1.00 0.00 N ATOM 681 CA LEU A 43 47.428 42.289 25.157 1.00 0.00 C ATOM 682 C LEU A 43 46.921 41.551 26.398 1.00 0.00 C ATOM 683 O LEU A 43 46.566 40.379 26.304 1.00 0.00 O ATOM 684 CB LEU A 43 46.305 42.569 24.163 1.00 0.00 C ATOM 685 CG LEU A 43 46.538 43.766 23.246 1.00 0.00 C ATOM 686 CD1 LEU A 43 47.711 43.573 22.288 1.00 0.00 C ATOM 687 CD2 LEU A 43 45.290 44.002 22.400 1.00 0.00 C ATOM 0 H LEU A 43 48.146 40.716 24.005 1.00 0.00 H new ATOM 0 HA LEU A 43 47.818 43.263 25.453 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.156 41.682 23.547 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.381 42.730 24.718 1.00 0.00 H new ATOM 0 HG LEU A 43 46.764 44.612 23.895 1.00 0.00 H new ATOM 0 HD11 LEU A 43 47.822 44.460 21.665 1.00 0.00 H new ATOM 0 HD12 LEU A 43 48.625 43.415 22.860 1.00 0.00 H new ATOM 0 HD13 LEU A 43 47.525 42.706 21.655 1.00 0.00 H new ATOM 0 HD21 LEU A 43 45.452 44.857 21.743 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.085 43.116 21.799 1.00 0.00 H new ATOM 0 HD23 LEU A 43 44.440 44.202 23.053 1.00 0.00 H new ATOM 699 N ILE A 44 46.907 42.220 27.549 1.00 0.00 N ATOM 700 CA ILE A 44 46.591 41.633 28.834 1.00 0.00 C ATOM 701 C ILE A 44 45.468 42.411 29.524 1.00 0.00 C ATOM 702 O ILE A 44 45.469 43.640 29.545 1.00 0.00 O ATOM 703 CB ILE A 44 47.847 41.494 29.691 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.887 40.616 29.001 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.518 40.942 31.075 1.00 0.00 C ATOM 706 CD1 ILE A 44 50.196 40.425 29.761 1.00 0.00 C ATOM 0 H ILE A 44 47.123 43.215 27.607 1.00 0.00 H new ATOM 0 HA ILE A 44 46.214 40.622 28.681 1.00 0.00 H new ATOM 0 HB ILE A 44 48.268 42.492 29.817 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.446 39.636 28.820 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.113 41.049 28.027 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.434 40.855 31.659 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.827 41.616 31.581 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.057 39.959 30.975 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.863 39.786 29.182 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.669 41.394 29.919 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.992 39.959 30.725 1.00 0.00 H new ATOM 718 N PHE A 45 44.529 41.679 30.116 1.00 0.00 N ATOM 719 CA PHE A 45 43.500 42.195 30.998 1.00 0.00 C ATOM 720 C PHE A 45 43.147 41.168 32.076 1.00 0.00 C ATOM 721 O PHE A 45 43.086 39.975 31.785 1.00 0.00 O ATOM 722 CB PHE A 45 42.270 42.565 30.174 1.00 0.00 C ATOM 723 CG PHE A 45 41.180 43.235 30.976 1.00 0.00 C ATOM 724 CD1 PHE A 45 41.306 44.583 31.330 1.00 0.00 C ATOM 725 CD2 PHE A 45 40.050 42.515 31.383 1.00 0.00 C ATOM 726 CE1 PHE A 45 40.316 45.207 32.097 1.00 0.00 C ATOM 727 CE2 PHE A 45 39.059 43.136 32.153 1.00 0.00 C ATOM 728 CZ PHE A 45 39.193 44.481 32.516 1.00 0.00 C ATOM 0 H PHE A 45 44.466 40.669 29.986 1.00 0.00 H new ATOM 0 HA PHE A 45 43.872 43.087 31.502 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.573 43.229 29.364 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.867 41.663 29.713 1.00 0.00 H new ATOM 0 HD1 PHE A 45 42.171 45.144 31.010 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.943 41.478 31.102 1.00 0.00 H new ATOM 0 HE1 PHE A 45 40.417 46.248 32.366 1.00 0.00 H new ATOM 0 HE2 PHE A 45 38.190 42.576 32.467 1.00 0.00 H new ATOM 0 HZ PHE A 45 38.433 44.958 33.117 1.00 0.00 H new ATOM 738 N ALA A 46 42.913 41.611 33.307 1.00 0.00 N ATOM 739 CA ALA A 46 42.633 40.770 34.453 1.00 0.00 C ATOM 740 C ALA A 46 43.601 39.593 34.599 1.00 0.00 C ATOM 741 O ALA A 46 43.204 38.441 34.760 1.00 0.00 O ATOM 742 CB ALA A 46 41.155 40.391 34.464 1.00 0.00 C ATOM 0 H ALA A 46 42.915 42.605 33.537 1.00 0.00 H new ATOM 0 HA ALA A 46 42.821 41.345 35.360 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.948 39.758 35.327 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.548 41.295 34.522 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.912 39.849 33.550 1.00 0.00 H new ATOM 748 N GLY A 47 44.897 39.853 34.458 1.00 0.00 N ATOM 749 CA GLY A 47 45.955 38.875 34.604 1.00 0.00 C ATOM 750 C GLY A 47 46.042 37.788 33.529 1.00 0.00 C ATOM 751 O GLY A 47 46.804 36.842 33.710 1.00 0.00 O ATOM 0 H GLY A 47 45.245 40.784 34.231 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.907 39.405 34.629 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.836 38.387 35.572 1.00 0.00 H new ATOM 755 N LYS A 48 45.310 37.893 32.424 1.00 0.00 N ATOM 756 CA LYS A 48 45.320 36.930 31.341 1.00 0.00 C ATOM 757 C LYS A 48 45.550 37.588 29.979 1.00 0.00 C ATOM 758 O LYS A 48 45.035 38.668 29.701 1.00 0.00 O ATOM 759 CB LYS A 48 44.052 36.084 31.395 1.00 0.00 C ATOM 760 CG LYS A 48 44.110 34.848 30.503 1.00 0.00 C ATOM 761 CD LYS A 48 42.911 33.931 30.729 1.00 0.00 C ATOM 762 CE LYS A 48 42.997 32.704 29.827 1.00 0.00 C ATOM 763 NZ LYS A 48 41.880 31.775 30.056 1.00 0.00 N ATOM 0 H LYS A 48 44.677 38.675 32.258 1.00 0.00 H new ATOM 0 HA LYS A 48 46.171 36.262 31.474 1.00 0.00 H new ATOM 0 HB2 LYS A 48 43.876 35.772 32.424 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.202 36.698 31.098 1.00 0.00 H new ATOM 0 HG2 LYS A 48 44.141 35.155 29.458 1.00 0.00 H new ATOM 0 HG3 LYS A 48 45.030 34.299 30.702 1.00 0.00 H new ATOM 0 HD2 LYS A 48 42.876 33.620 31.773 1.00 0.00 H new ATOM 0 HD3 LYS A 48 41.988 34.474 30.527 1.00 0.00 H new ATOM 0 HE2 LYS A 48 42.998 33.020 28.784 1.00 0.00 H new ATOM 0 HE3 LYS A 48 43.941 32.188 30.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 41.975 30.955 29.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 41.893 31.453 31.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 40.980 32.259 29.861 1.00 0.00 H new ATOM 777 N GLN A 49 46.332 36.917 29.139 1.00 0.00 N ATOM 778 CA GLN A 49 46.612 37.319 27.775 1.00 0.00 C ATOM 779 C GLN A 49 45.441 37.003 26.842 1.00 0.00 C ATOM 780 O GLN A 49 44.962 35.873 26.798 1.00 0.00 O ATOM 781 CB GLN A 49 47.903 36.652 27.312 1.00 0.00 C ATOM 782 CG GLN A 49 48.315 37.056 25.899 1.00 0.00 C ATOM 783 CD GLN A 49 49.648 36.429 25.481 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.285 35.672 26.209 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.142 36.761 24.292 1.00 0.00 N ATOM 0 H GLN A 49 46.801 36.051 29.403 1.00 0.00 H new ATOM 0 HA GLN A 49 46.743 38.401 27.742 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.705 36.908 28.004 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.780 35.570 27.352 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.538 36.755 25.196 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.393 38.142 25.842 1.00 0.00 H new ATOM 0 HE21 GLN A 49 49.620 37.389 23.680 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.042 36.388 23.992 1.00 0.00 H new ATOM 794 N LEU A 50 45.029 37.998 26.060 1.00 0.00 N ATOM 795 CA LEU A 50 43.965 37.899 25.082 1.00 0.00 C ATOM 796 C LEU A 50 44.476 37.263 23.788 1.00 0.00 C ATOM 797 O LEU A 50 45.481 37.699 23.232 1.00 0.00 O ATOM 798 CB LEU A 50 43.380 39.284 24.821 1.00 0.00 C ATOM 799 CG LEU A 50 42.963 40.090 26.047 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.413 41.440 25.592 1.00 0.00 C ATOM 801 CD2 LEU A 50 41.908 39.391 26.898 1.00 0.00 C ATOM 0 H LEU A 50 45.447 38.928 26.097 1.00 0.00 H new ATOM 0 HA LEU A 50 43.178 37.255 25.475 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.115 39.865 24.265 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.509 39.170 24.175 1.00 0.00 H new ATOM 0 HG LEU A 50 43.851 40.207 26.667 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.112 42.023 26.463 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.184 41.980 25.042 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.550 41.282 24.946 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.657 40.018 27.753 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.014 39.218 26.299 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.299 38.436 27.250 1.00 0.00 H new ATOM 813 N GLU A 51 43.785 36.229 23.315 1.00 0.00 N ATOM 814 CA GLU A 51 44.127 35.463 22.134 1.00 0.00 C ATOM 815 C GLU A 51 43.651 36.107 20.831 1.00 0.00 C ATOM 816 O GLU A 51 42.574 36.692 20.745 1.00 0.00 O ATOM 817 CB GLU A 51 43.598 34.036 22.258 1.00 0.00 C ATOM 818 CG GLU A 51 44.403 33.219 23.265 1.00 0.00 C ATOM 819 CD GLU A 51 43.712 31.911 23.654 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.599 31.653 24.872 1.00 0.00 O ATOM 821 OE2 GLU A 51 43.244 31.159 22.771 1.00 0.00 O ATOM 0 H GLU A 51 42.936 35.893 23.769 1.00 0.00 H new ATOM 0 HA GLU A 51 45.215 35.444 22.080 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.552 34.061 22.564 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.634 33.549 21.283 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.383 32.996 22.844 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.570 33.817 24.161 1.00 0.00 H new ATOM 828 N ASP A 52 44.452 35.931 19.783 1.00 0.00 N ATOM 829 CA ASP A 52 44.343 36.603 18.504 1.00 0.00 C ATOM 830 C ASP A 52 43.083 36.247 17.714 1.00 0.00 C ATOM 831 O ASP A 52 42.632 37.053 16.903 1.00 0.00 O ATOM 832 CB ASP A 52 45.589 36.284 17.682 1.00 0.00 C ATOM 833 CG ASP A 52 46.884 36.785 18.326 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.560 36.005 19.030 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.276 37.950 18.096 1.00 0.00 O ATOM 0 H ASP A 52 45.235 35.278 19.812 1.00 0.00 H new ATOM 0 HA ASP A 52 44.263 37.671 18.707 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.656 35.205 17.540 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.487 36.730 16.693 1.00 0.00 H new ATOM 840 N GLY A 53 42.502 35.073 17.950 1.00 0.00 N ATOM 841 CA GLY A 53 41.360 34.540 17.236 1.00 0.00 C ATOM 842 C GLY A 53 39.986 34.850 17.834 1.00 0.00 C ATOM 843 O GLY A 53 38.987 34.396 17.280 1.00 0.00 O ATOM 0 H GLY A 53 42.835 34.443 18.680 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.384 34.923 16.216 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.470 33.457 17.173 1.00 0.00 H new ATOM 847 N ARG A 54 39.915 35.557 18.958 1.00 0.00 N ATOM 848 CA ARG A 54 38.684 35.936 19.620 1.00 0.00 C ATOM 849 C ARG A 54 38.265 37.368 19.280 1.00 0.00 C ATOM 850 O ARG A 54 38.917 38.039 18.483 1.00 0.00 O ATOM 851 CB ARG A 54 38.848 35.728 21.123 1.00 0.00 C ATOM 852 CG ARG A 54 39.258 34.329 21.575 1.00 0.00 C ATOM 853 CD ARG A 54 38.264 33.244 21.173 1.00 0.00 C ATOM 854 NE ARG A 54 38.634 31.951 21.751 1.00 0.00 N ATOM 855 CZ ARG A 54 37.938 30.808 21.697 1.00 0.00 C ATOM 856 NH1 ARG A 54 36.790 30.668 21.020 1.00 0.00 N ATOM 857 NH2 ARG A 54 38.405 29.739 22.357 1.00 0.00 N ATOM 0 H ARG A 54 40.747 35.891 19.445 1.00 0.00 H new ATOM 0 HA ARG A 54 37.876 35.300 19.259 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.593 36.436 21.486 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.905 35.981 21.608 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.234 34.091 21.153 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.370 34.324 22.659 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.264 33.522 21.505 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.228 33.163 20.087 1.00 0.00 H new ATOM 0 HE ARG A 54 39.522 31.917 22.251 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.400 31.459 20.508 1.00 0.00 H new ATOM 0 HH12 ARG A 54 36.306 29.770 21.017 1.00 0.00 H new ATOM 0 HH21 ARG A 54 39.274 29.806 22.887 1.00 0.00 H new ATOM 0 HH22 ARG A 54 37.891 28.858 22.330 1.00 0.00 H new ATOM 871 N THR A 55 37.197 37.851 19.909 1.00 0.00 N ATOM 872 CA THR A 55 36.710 39.215 19.859 1.00 0.00 C ATOM 873 C THR A 55 36.612 39.848 21.248 1.00 0.00 C ATOM 874 O THR A 55 36.707 39.164 22.265 1.00 0.00 O ATOM 875 CB THR A 55 35.347 39.326 19.182 1.00 0.00 C ATOM 876 OG1 THR A 55 34.375 38.623 19.922 1.00 0.00 O ATOM 877 CG2 THR A 55 35.365 38.801 17.750 1.00 0.00 C ATOM 0 H THR A 55 36.617 37.258 20.503 1.00 0.00 H new ATOM 0 HA THR A 55 37.448 39.755 19.266 1.00 0.00 H new ATOM 0 HB THR A 55 35.098 40.387 19.147 1.00 0.00 H new ATOM 0 HG1 THR A 55 34.322 37.699 19.599 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.372 38.902 17.313 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.081 39.375 17.161 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.655 37.750 17.751 1.00 0.00 H new ATOM 885 N LEU A 56 36.392 41.159 21.297 1.00 0.00 N ATOM 886 CA LEU A 56 36.175 41.879 22.535 1.00 0.00 C ATOM 887 C LEU A 56 34.916 41.397 23.258 1.00 0.00 C ATOM 888 O LEU A 56 34.951 41.208 24.473 1.00 0.00 O ATOM 889 CB LEU A 56 36.135 43.380 22.263 1.00 0.00 C ATOM 890 CG LEU A 56 37.376 43.962 21.593 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.189 45.463 21.386 1.00 0.00 C ATOM 892 CD2 LEU A 56 38.652 43.751 22.404 1.00 0.00 C ATOM 0 H LEU A 56 36.360 41.751 20.467 1.00 0.00 H new ATOM 0 HA LEU A 56 37.011 41.674 23.204 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.271 43.594 21.635 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.978 43.898 23.209 1.00 0.00 H new ATOM 0 HG LEU A 56 37.490 43.436 20.645 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.076 45.878 20.907 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.320 45.637 20.752 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.037 45.947 22.351 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.497 44.188 21.872 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.548 44.231 23.377 1.00 0.00 H new ATOM 0 HD23 LEU A 56 38.823 42.683 22.542 1.00 0.00 H new ATOM 904 N SER A 57 33.840 41.097 22.537 1.00 0.00 N ATOM 905 CA SER A 57 32.643 40.477 23.068 1.00 0.00 C ATOM 906 C SER A 57 32.886 39.103 23.697 1.00 0.00 C ATOM 907 O SER A 57 32.451 38.859 24.819 1.00 0.00 O ATOM 908 CB SER A 57 31.614 40.296 21.956 1.00 0.00 C ATOM 909 OG SER A 57 31.157 41.542 21.480 1.00 0.00 O ATOM 0 H SER A 57 33.781 41.287 21.537 1.00 0.00 H new ATOM 0 HA SER A 57 32.288 41.149 23.850 1.00 0.00 H new ATOM 0 HB2 SER A 57 32.056 39.730 21.136 1.00 0.00 H new ATOM 0 HB3 SER A 57 30.771 39.714 22.328 1.00 0.00 H new ATOM 0 HG SER A 57 30.500 41.399 20.767 1.00 0.00 H new ATOM 915 N ASP A 58 33.607 38.212 23.021 1.00 0.00 N ATOM 916 CA ASP A 58 33.900 36.891 23.537 1.00 0.00 C ATOM 917 C ASP A 58 34.903 36.885 24.693 1.00 0.00 C ATOM 918 O ASP A 58 35.007 35.889 25.405 1.00 0.00 O ATOM 919 CB ASP A 58 34.306 35.958 22.399 1.00 0.00 C ATOM 920 CG ASP A 58 33.081 35.545 21.582 1.00 0.00 C ATOM 921 OD1 ASP A 58 32.250 34.755 22.078 1.00 0.00 O ATOM 922 OD2 ASP A 58 32.923 35.991 20.425 1.00 0.00 O ATOM 0 H ASP A 58 34.002 38.393 22.098 1.00 0.00 H new ATOM 0 HA ASP A 58 32.980 36.511 23.980 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.030 36.456 21.754 1.00 0.00 H new ATOM 0 HB3 ASP A 58 34.796 35.072 22.804 1.00 0.00 H new ATOM 927 N TYR A 59 35.583 37.998 24.949 1.00 0.00 N ATOM 928 CA TYR A 59 36.352 38.263 26.148 1.00 0.00 C ATOM 929 C TYR A 59 35.651 39.157 27.172 1.00 0.00 C ATOM 930 O TYR A 59 36.256 39.458 28.197 1.00 0.00 O ATOM 931 CB TYR A 59 37.742 38.772 25.773 1.00 0.00 C ATOM 932 CG TYR A 59 38.767 37.692 25.519 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.079 36.784 26.536 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.471 37.649 24.310 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.077 35.819 26.350 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.489 36.707 24.118 1.00 0.00 C ATOM 937 CZ TYR A 59 40.789 35.778 25.134 1.00 0.00 C ATOM 938 OH TYR A 59 41.774 34.852 24.951 1.00 0.00 O ATOM 0 H TYR A 59 35.610 38.775 24.289 1.00 0.00 H new ATOM 0 HA TYR A 59 36.454 37.312 26.670 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.658 39.390 24.879 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.105 39.417 26.573 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.545 36.827 27.474 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.228 38.346 23.521 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.300 35.110 27.134 1.00 0.00 H new ATOM 0 HE2 TYR A 59 41.044 36.693 23.192 1.00 0.00 H new ATOM 0 HH TYR A 59 41.426 34.104 24.422 1.00 0.00 H new ATOM 948 N ASN A 60 34.398 39.556 26.969 1.00 0.00 N ATOM 949 CA ASN A 60 33.647 40.415 27.863 1.00 0.00 C ATOM 950 C ASN A 60 34.338 41.751 28.148 1.00 0.00 C ATOM 951 O ASN A 60 34.454 42.177 29.295 1.00 0.00 O ATOM 952 CB ASN A 60 33.203 39.609 29.080 1.00 0.00 C ATOM 953 CG ASN A 60 32.320 40.402 30.046 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.308 40.987 29.665 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.696 40.489 31.318 1.00 0.00 N ATOM 0 H ASN A 60 33.864 39.277 26.146 1.00 0.00 H new ATOM 0 HA ASN A 60 32.734 40.749 27.369 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.659 38.727 28.743 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.085 39.255 29.613 1.00 0.00 H new ATOM 0 HD21 ASN A 60 32.145 41.040 31.976 1.00 0.00 H new ATOM 0 HD22 ASN A 60 33.535 40.004 31.636 1.00 0.00 H new ATOM 962 N ILE A 61 34.843 42.408 27.107 1.00 0.00 N ATOM 963 CA ILE A 61 35.496 43.700 27.163 1.00 0.00 C ATOM 964 C ILE A 61 34.523 44.766 26.656 1.00 0.00 C ATOM 965 O ILE A 61 34.229 44.828 25.464 1.00 0.00 O ATOM 966 CB ILE A 61 36.815 43.677 26.396 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.788 42.676 27.014 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.446 45.066 26.368 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.000 42.355 26.143 1.00 0.00 C ATOM 0 H ILE A 61 34.803 42.031 26.160 1.00 0.00 H new ATOM 0 HA ILE A 61 35.758 43.948 28.192 1.00 0.00 H new ATOM 0 HB ILE A 61 36.600 43.367 25.373 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.136 43.069 27.969 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.253 41.750 27.226 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.385 45.028 25.816 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.767 45.765 25.880 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.637 45.399 27.388 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.638 41.637 26.658 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.666 41.930 25.197 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.563 43.269 25.952 1.00 0.00 H new ATOM 981 N GLN A 62 34.010 45.594 27.560 1.00 0.00 N ATOM 982 CA GLN A 62 33.083 46.676 27.294 1.00 0.00 C ATOM 983 C GLN A 62 33.790 48.019 27.105 1.00 0.00 C ATOM 984 O GLN A 62 34.985 48.150 27.364 1.00 0.00 O ATOM 985 CB GLN A 62 32.055 46.746 28.419 1.00 0.00 C ATOM 986 CG GLN A 62 30.927 45.723 28.314 1.00 0.00 C ATOM 987 CD GLN A 62 31.365 44.271 28.516 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.473 43.487 27.575 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.622 43.836 29.747 1.00 0.00 N ATOM 0 H GLN A 62 34.246 45.520 28.550 1.00 0.00 H new ATOM 0 HA GLN A 62 32.577 46.466 26.352 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.567 46.606 29.371 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.621 47.746 28.435 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.164 45.965 29.054 1.00 0.00 H new ATOM 0 HG3 GLN A 62 30.460 45.815 27.333 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.538 44.471 30.540 1.00 0.00 H new ATOM 0 HE22 GLN A 62 31.903 42.867 29.897 1.00 0.00 H new ATOM 998 N LYS A 63 33.041 49.031 26.676 1.00 0.00 N ATOM 999 CA LYS A 63 33.489 50.401 26.524 1.00 0.00 C ATOM 1000 C LYS A 63 34.156 50.979 27.773 1.00 0.00 C ATOM 1001 O LYS A 63 33.835 50.586 28.891 1.00 0.00 O ATOM 1002 CB LYS A 63 32.336 51.269 26.027 1.00 0.00 C ATOM 1003 CG LYS A 63 31.227 51.492 27.051 1.00 0.00 C ATOM 1004 CD LYS A 63 30.053 52.228 26.411 1.00 0.00 C ATOM 1005 CE LYS A 63 28.921 52.474 27.404 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.284 53.470 28.424 1.00 0.00 N ATOM 0 H LYS A 63 32.063 48.907 26.415 1.00 0.00 H new ATOM 0 HA LYS A 63 34.280 50.399 25.774 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.732 52.238 25.722 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.906 50.806 25.139 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.891 50.534 27.448 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.611 52.069 27.893 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.398 53.182 26.011 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.677 51.647 25.569 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.035 52.813 26.866 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.658 51.536 27.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 28.459 53.668 29.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.059 53.100 29.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 29.591 54.348 27.958 1.00 0.00 H new ATOM 1020 N GLU A 64 35.093 51.899 27.558 1.00 0.00 N ATOM 1021 CA GLU A 64 35.941 52.536 28.544 1.00 0.00 C ATOM 1022 C GLU A 64 36.743 51.597 29.448 1.00 0.00 C ATOM 1023 O GLU A 64 37.174 51.984 30.532 1.00 0.00 O ATOM 1024 CB GLU A 64 35.260 53.707 29.246 1.00 0.00 C ATOM 1025 CG GLU A 64 34.169 53.387 30.263 1.00 0.00 C ATOM 1026 CD GLU A 64 33.720 54.665 30.975 1.00 0.00 C ATOM 1027 OE1 GLU A 64 32.700 55.257 30.563 1.00 0.00 O ATOM 1028 OE2 GLU A 64 34.399 55.089 31.935 1.00 0.00 O ATOM 0 H GLU A 64 35.288 52.239 26.617 1.00 0.00 H new ATOM 0 HA GLU A 64 36.743 52.987 27.960 1.00 0.00 H new ATOM 0 HB2 GLU A 64 36.030 54.288 29.753 1.00 0.00 H new ATOM 0 HB3 GLU A 64 34.827 54.351 28.481 1.00 0.00 H new ATOM 0 HG2 GLU A 64 33.319 52.923 29.762 1.00 0.00 H new ATOM 0 HG3 GLU A 64 34.541 52.667 30.992 1.00 0.00 H new ATOM 1035 N SER A 65 37.001 50.378 28.981 1.00 0.00 N ATOM 1036 CA SER A 65 37.981 49.483 29.562 1.00 0.00 C ATOM 1037 C SER A 65 39.409 49.928 29.245 1.00 0.00 C ATOM 1038 O SER A 65 39.668 50.434 28.154 1.00 0.00 O ATOM 1039 CB SER A 65 37.800 48.056 29.052 1.00 0.00 C ATOM 1040 OG SER A 65 36.549 47.534 29.443 1.00 0.00 O ATOM 0 H SER A 65 36.522 49.983 28.172 1.00 0.00 H new ATOM 0 HA SER A 65 37.822 49.513 30.640 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.880 48.042 27.965 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.599 47.424 29.439 1.00 0.00 H new ATOM 0 HG SER A 65 35.852 47.870 28.842 1.00 0.00 H new ATOM 1046 N THR A 66 40.343 49.665 30.153 1.00 0.00 N ATOM 1047 CA THR A 66 41.764 49.872 29.952 1.00 0.00 C ATOM 1048 C THR A 66 42.500 48.534 29.858 1.00 0.00 C ATOM 1049 O THR A 66 42.506 47.760 30.813 1.00 0.00 O ATOM 1050 CB THR A 66 42.385 50.744 31.039 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.692 51.967 31.152 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.832 51.110 30.723 1.00 0.00 C ATOM 0 H THR A 66 40.120 49.291 31.075 1.00 0.00 H new ATOM 0 HA THR A 66 41.874 50.405 29.008 1.00 0.00 H new ATOM 0 HB THR A 66 42.330 50.158 31.957 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.103 52.512 31.855 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.233 51.731 31.524 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.427 50.201 30.636 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.871 51.660 29.783 1.00 0.00 H new ATOM 1060 N LEU A 67 43.146 48.288 28.723 1.00 0.00 N ATOM 1061 CA LEU A 67 43.945 47.115 28.432 1.00 0.00 C ATOM 1062 C LEU A 67 45.437 47.417 28.593 1.00 0.00 C ATOM 1063 O LEU A 67 45.865 48.549 28.378 1.00 0.00 O ATOM 1064 CB LEU A 67 43.639 46.618 27.021 1.00 0.00 C ATOM 1065 CG LEU A 67 42.171 46.391 26.674 1.00 0.00 C ATOM 1066 CD1 LEU A 67 42.058 45.860 25.247 1.00 0.00 C ATOM 1067 CD2 LEU A 67 41.493 45.385 27.601 1.00 0.00 C ATOM 0 H LEU A 67 43.121 48.942 27.941 1.00 0.00 H new ATOM 0 HA LEU A 67 43.688 46.330 29.144 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.048 47.337 26.312 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.173 45.680 26.868 1.00 0.00 H new ATOM 0 HG LEU A 67 41.672 47.354 26.786 1.00 0.00 H new ATOM 0 HD11 LEU A 67 41.008 45.698 25.001 1.00 0.00 H new ATOM 0 HD12 LEU A 67 42.486 46.585 24.554 1.00 0.00 H new ATOM 0 HD13 LEU A 67 42.599 44.917 25.166 1.00 0.00 H new ATOM 0 HD21 LEU A 67 40.451 45.264 27.306 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.004 44.425 27.532 1.00 0.00 H new ATOM 0 HD23 LEU A 67 41.540 45.747 28.628 1.00 0.00 H new ATOM 1079 N HIS A 68 46.247 46.412 28.915 1.00 0.00 N ATOM 1080 CA HIS A 68 47.682 46.550 29.057 1.00 0.00 C ATOM 1081 C HIS A 68 48.414 45.997 27.833 1.00 0.00 C ATOM 1082 O HIS A 68 48.079 44.914 27.358 1.00 0.00 O ATOM 1083 CB HIS A 68 48.167 45.857 30.327 1.00 0.00 C ATOM 1084 CG HIS A 68 47.500 46.356 31.579 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.934 47.434 32.350 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.364 45.834 32.141 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.048 47.555 33.342 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.097 46.611 33.252 1.00 0.00 N ATOM 0 H HIS A 68 45.912 45.464 29.086 1.00 0.00 H new ATOM 0 HA HIS A 68 47.909 47.613 29.134 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.992 44.785 30.235 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.244 45.998 30.419 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.794 44.988 31.787 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.091 48.310 34.113 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.313 46.489 33.893 1.00 0.00 H new ATOM 1096 N LEU A 69 49.428 46.712 27.354 1.00 0.00 N ATOM 1097 CA LEU A 69 50.332 46.268 26.313 1.00 0.00 C ATOM 1098 C LEU A 69 51.647 45.798 26.938 1.00 0.00 C ATOM 1099 O LEU A 69 52.279 46.545 27.681 1.00 0.00 O ATOM 1100 CB LEU A 69 50.507 47.407 25.312 1.00 0.00 C ATOM 1101 CG LEU A 69 51.113 47.106 23.944 1.00 0.00 C ATOM 1102 CD1 LEU A 69 52.569 46.652 23.975 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.310 46.069 23.164 1.00 0.00 C ATOM 0 H LEU A 69 49.645 47.648 27.696 1.00 0.00 H new ATOM 0 HA LEU A 69 49.930 45.412 25.772 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.526 47.852 25.146 1.00 0.00 H new ATOM 0 HB3 LEU A 69 51.127 48.168 25.786 1.00 0.00 H new ATOM 0 HG LEU A 69 51.074 48.072 23.442 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.913 46.462 22.958 1.00 0.00 H new ATOM 0 HD12 LEU A 69 53.184 47.431 24.426 1.00 0.00 H new ATOM 0 HD13 LEU A 69 52.653 45.738 24.563 1.00 0.00 H new ATOM 0 HD21 LEU A 69 50.785 45.892 22.199 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.275 45.137 23.728 1.00 0.00 H new ATOM 0 HD23 LEU A 69 49.296 46.437 23.008 1.00 0.00 H new ATOM 1115 N VAL A 70 52.053 44.566 26.643 1.00 0.00 N ATOM 1116 CA VAL A 70 53.305 43.955 27.042 1.00 0.00 C ATOM 1117 C VAL A 70 54.048 43.445 25.805 1.00 0.00 C ATOM 1118 O VAL A 70 53.426 43.003 24.842 1.00 0.00 O ATOM 1119 CB VAL A 70 53.048 42.872 28.086 1.00 0.00 C ATOM 1120 CG1 VAL A 70 54.270 42.024 28.428 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.563 43.508 29.386 1.00 0.00 C ATOM 0 H VAL A 70 51.478 43.935 26.085 1.00 0.00 H new ATOM 0 HA VAL A 70 53.954 44.692 27.516 1.00 0.00 H new ATOM 0 HB VAL A 70 52.301 42.217 27.637 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.999 41.280 29.177 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.627 41.521 27.529 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.059 42.665 28.822 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.382 42.729 30.127 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.322 44.195 29.760 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.639 44.055 29.201 1.00 0.00 H new ATOM 1131 N LEU A 71 55.376 43.503 25.813 1.00 0.00 N ATOM 1132 CA LEU A 71 56.224 43.033 24.736 1.00 0.00 C ATOM 1133 C LEU A 71 56.647 41.577 24.945 1.00 0.00 C ATOM 1134 O LEU A 71 56.957 41.173 26.063 1.00 0.00 O ATOM 1135 CB LEU A 71 57.421 43.971 24.612 1.00 0.00 C ATOM 1136 CG LEU A 71 58.356 43.709 23.435 1.00 0.00 C ATOM 1137 CD1 LEU A 71 57.667 43.920 22.089 1.00 0.00 C ATOM 1138 CD2 LEU A 71 59.559 44.646 23.494 1.00 0.00 C ATOM 0 H LEU A 71 55.903 43.891 26.596 1.00 0.00 H new ATOM 0 HA LEU A 71 55.666 43.047 23.800 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.050 44.993 24.535 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.002 43.911 25.532 1.00 0.00 H new ATOM 0 HG LEU A 71 58.667 42.667 23.516 1.00 0.00 H new ATOM 0 HD11 LEU A 71 58.374 43.721 21.283 1.00 0.00 H new ATOM 0 HD12 LEU A 71 56.819 43.240 22.004 1.00 0.00 H new ATOM 0 HD13 LEU A 71 57.315 44.949 22.018 1.00 0.00 H new ATOM 0 HD21 LEU A 71 60.217 44.447 22.648 1.00 0.00 H new ATOM 0 HD22 LEU A 71 59.217 45.680 23.453 1.00 0.00 H new ATOM 0 HD23 LEU A 71 60.104 44.481 24.424 1.00 0.00 H new ATOM 1150 N ARG A 72 56.733 40.804 23.867 1.00 0.00 N ATOM 1151 CA ARG A 72 57.390 39.514 23.820 1.00 0.00 C ATOM 1152 C ARG A 72 58.834 39.661 23.334 1.00 0.00 C ATOM 1153 O ARG A 72 59.053 40.147 22.227 1.00 0.00 O ATOM 1154 CB ARG A 72 56.589 38.589 22.907 1.00 0.00 C ATOM 1155 CG ARG A 72 57.007 37.131 23.074 1.00 0.00 C ATOM 1156 CD ARG A 72 56.528 36.240 21.931 1.00 0.00 C ATOM 1157 NE ARG A 72 57.221 36.557 20.683 1.00 0.00 N ATOM 1158 CZ ARG A 72 56.799 36.299 19.439 1.00 0.00 C ATOM 1159 NH1 ARG A 72 55.691 35.594 19.171 1.00 0.00 N ATOM 1160 NH2 ARG A 72 57.515 36.776 18.411 1.00 0.00 N ATOM 0 H ARG A 72 56.329 41.075 22.970 1.00 0.00 H new ATOM 0 HA ARG A 72 57.430 39.083 24.820 1.00 0.00 H new ATOM 0 HB2 ARG A 72 55.526 38.691 23.128 1.00 0.00 H new ATOM 0 HB3 ARG A 72 56.729 38.891 21.869 1.00 0.00 H new ATOM 0 HG2 ARG A 72 58.094 37.075 23.140 1.00 0.00 H new ATOM 0 HG3 ARG A 72 56.610 36.750 24.015 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.697 35.194 22.187 1.00 0.00 H new ATOM 0 HD3 ARG A 72 55.454 36.366 21.795 1.00 0.00 H new ATOM 0 HE ARG A 72 58.123 37.025 20.770 1.00 0.00 H new ATOM 0 HH11 ARG A 72 55.124 35.225 19.935 1.00 0.00 H new ATOM 0 HH12 ARG A 72 55.415 35.426 18.204 1.00 0.00 H new ATOM 0 HH21 ARG A 72 58.359 37.321 18.587 1.00 0.00 H new ATOM 0 HH22 ARG A 72 57.216 36.594 17.453 1.00 0.00 H new ATOM 1174 N LEU A 73 59.809 39.199 24.111 1.00 0.00 N ATOM 1175 CA LEU A 73 61.211 39.242 23.748 1.00 0.00 C ATOM 1176 C LEU A 73 61.558 38.187 22.695 1.00 0.00 C ATOM 1177 O LEU A 73 61.916 38.559 21.579 1.00 0.00 O ATOM 1178 CB LEU A 73 62.066 39.183 25.010 1.00 0.00 C ATOM 1179 CG LEU A 73 63.556 39.494 24.884 1.00 0.00 C ATOM 1180 CD1 LEU A 73 64.372 38.412 24.182 1.00 0.00 C ATOM 1181 CD2 LEU A 73 63.820 40.822 24.182 1.00 0.00 C ATOM 0 H LEU A 73 59.638 38.778 25.024 1.00 0.00 H new ATOM 0 HA LEU A 73 61.437 40.190 23.260 1.00 0.00 H new ATOM 0 HB2 LEU A 73 61.640 39.878 25.734 1.00 0.00 H new ATOM 0 HB3 LEU A 73 61.969 38.183 25.432 1.00 0.00 H new ATOM 0 HG LEU A 73 63.888 39.546 25.921 1.00 0.00 H new ATOM 0 HD11 LEU A 73 65.418 38.716 24.137 1.00 0.00 H new ATOM 0 HD12 LEU A 73 64.290 37.477 24.736 1.00 0.00 H new ATOM 0 HD13 LEU A 73 63.992 38.269 23.170 1.00 0.00 H new ATOM 0 HD21 LEU A 73 64.895 40.993 24.120 1.00 0.00 H new ATOM 0 HD22 LEU A 73 63.398 40.793 23.177 1.00 0.00 H new ATOM 0 HD23 LEU A 73 63.356 41.631 24.747 1.00 0.00 H new ATOM 1193 N ARG A 74 61.409 36.902 23.001 1.00 0.00 N ATOM 1194 CA ARG A 74 61.550 35.809 22.058 1.00 0.00 C ATOM 1195 C ARG A 74 60.310 34.915 21.992 1.00 0.00 C ATOM 1196 O ARG A 74 59.512 34.873 22.925 1.00 0.00 O ATOM 1197 CB ARG A 74 62.867 35.062 22.243 1.00 0.00 C ATOM 1198 CG ARG A 74 63.182 34.442 23.601 1.00 0.00 C ATOM 1199 CD ARG A 74 62.240 33.343 24.085 1.00 0.00 C ATOM 1200 NE ARG A 74 62.171 32.192 23.182 1.00 0.00 N ATOM 1201 CZ ARG A 74 61.158 31.321 23.086 1.00 0.00 C ATOM 1202 NH1 ARG A 74 60.027 31.436 23.795 1.00 0.00 N ATOM 1203 NH2 ARG A 74 61.245 30.281 22.245 1.00 0.00 N ATOM 0 H ARG A 74 61.179 36.588 23.944 1.00 0.00 H new ATOM 0 HA ARG A 74 61.610 36.247 21.062 1.00 0.00 H new ATOM 0 HB2 ARG A 74 62.899 34.264 21.502 1.00 0.00 H new ATOM 0 HB3 ARG A 74 63.674 35.754 22.002 1.00 0.00 H new ATOM 0 HG2 ARG A 74 64.192 34.033 23.563 1.00 0.00 H new ATOM 0 HG3 ARG A 74 63.188 35.238 24.346 1.00 0.00 H new ATOM 0 HD2 ARG A 74 62.565 33.004 25.069 1.00 0.00 H new ATOM 0 HD3 ARG A 74 61.240 33.760 24.206 1.00 0.00 H new ATOM 0 HE ARG A 74 62.971 32.039 22.568 1.00 0.00 H new ATOM 0 HH11 ARG A 74 59.909 32.214 24.444 1.00 0.00 H new ATOM 0 HH12 ARG A 74 59.284 30.746 23.686 1.00 0.00 H new ATOM 0 HH21 ARG A 74 62.083 30.153 21.678 1.00 0.00 H new ATOM 0 HH22 ARG A 74 60.473 29.618 22.172 1.00 0.00 H new ATOM 1217 N GLY A 75 60.152 34.202 20.881 1.00 0.00 N ATOM 1218 CA GLY A 75 59.050 33.294 20.630 1.00 0.00 C ATOM 1219 C GLY A 75 59.494 32.041 19.871 1.00 0.00 C ATOM 1220 O GLY A 75 60.521 32.047 19.196 1.00 0.00 O ATOM 0 H GLY A 75 60.814 34.246 20.106 1.00 0.00 H new ATOM 0 HA2 GLY A 75 58.599 33.002 21.578 1.00 0.00 H new ATOM 0 HA3 GLY A 75 58.280 33.810 20.057 1.00 0.00 H new ATOM 1224 N GLY A 76 58.727 30.966 20.027 1.00 0.00 N ATOM 1225 CA GLY A 76 58.994 29.667 19.445 1.00 0.00 C ATOM 1226 C GLY A 76 58.533 29.531 17.993 1.00 0.00 C ATOM 1227 O GLY A 76 57.343 29.812 17.733 1.00 0.00 O ATOM 1228 OXT GLY A 76 59.359 29.106 17.157 1.00 0.00 O ATOM 0 H GLY A 76 57.873 30.983 20.584 1.00 0.00 H new ATOM 0 HA2 GLY A 76 60.065 29.470 19.496 1.00 0.00 H new ATOM 0 HA3 GLY A 76 58.501 28.903 20.045 1.00 0.00 H new TER 1232 GLY A 76