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 -84:sc= 1.02 USER MOD Set 1.2: A 57 SER OG : rot -82:sc= 1.03 USER MOD Set 2.1: A 22 THR OG1 : rot -88:sc= 1.26 USER MOD Set 2.2: A 25 ASN : amide:sc= 1.35 K(o=2.6,f=-6.9!) USER MOD Set 3.1: A 14 THR OG1 : rot 180:sc= 0.00376 USER MOD Set 3.2: A 33 LYS NZ :NH3+ 180:sc= 1.07 (180deg=1.07) USER MOD Single : A 1 MET CE :methyl -171:sc= 0 (180deg=-0.037) USER MOD Single : A 1 MET N :NH3+ 158:sc= 1.29 (180deg=1.08) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 31:sc= 1.24 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 164:sc= 1.22 (180deg=1.16) USER MOD Single : A 29 LYS NZ :NH3+ 156:sc= 2.46 (180deg=1.63) USER MOD Single : A 31 GLN : amide:sc= -0.825 X(o=-0.83,f=-1.1) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.16 K(o=1.2,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.856 K(o=0.86,f=-3.6!) USER MOD Single : A 59 TYR OH : rot 120:sc= 0.409 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= -0.0395 K(o=-0.04,f=-1.1) USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= 1.24 (180deg=1.19) USER MOD Single : A 65 SER OG : rot -58:sc= 1.26 USER MOD Single : A 66 THR OG1 : rot 170:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.219 X(o=-0.22,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.769 52.096 19.342 1.00 0.00 N ATOM 2 CA MET A 1 33.007 52.638 20.689 1.00 0.00 C ATOM 3 C MET A 1 34.505 52.744 20.980 1.00 0.00 C ATOM 4 O MET A 1 35.320 52.215 20.226 1.00 0.00 O ATOM 5 CB MET A 1 32.281 51.854 21.780 1.00 0.00 C ATOM 6 CG MET A 1 32.774 50.423 21.966 1.00 0.00 C ATOM 7 SD MET A 1 32.074 49.627 23.432 1.00 0.00 S ATOM 8 CE MET A 1 33.014 48.080 23.437 1.00 0.00 C ATOM 0 H1 MET A 1 31.813 51.689 19.296 1.00 0.00 H new ATOM 0 H2 MET A 1 32.854 52.859 18.641 1.00 0.00 H new ATOM 0 H3 MET A 1 33.471 51.357 19.136 1.00 0.00 H new ATOM 0 HA MET A 1 32.584 53.642 20.702 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.388 52.387 22.725 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.217 51.830 21.546 1.00 0.00 H new ATOM 0 HG2 MET A 1 32.518 49.838 21.083 1.00 0.00 H new ATOM 0 HG3 MET A 1 33.861 50.425 22.043 1.00 0.00 H new ATOM 0 HE1 MET A 1 32.596 47.403 24.182 1.00 0.00 H new ATOM 0 HE2 MET A 1 32.957 47.616 22.452 1.00 0.00 H new ATOM 0 HE3 MET A 1 34.056 48.288 23.680 1.00 0.00 H new ATOM 20 N GLN A 2 34.864 53.415 22.069 1.00 0.00 N ATOM 21 CA GLN A 2 36.228 53.675 22.484 1.00 0.00 C ATOM 22 C GLN A 2 36.674 52.729 23.601 1.00 0.00 C ATOM 23 O GLN A 2 35.961 52.550 24.586 1.00 0.00 O ATOM 24 CB GLN A 2 36.309 55.134 22.925 1.00 0.00 C ATOM 25 CG GLN A 2 37.692 55.605 23.362 1.00 0.00 C ATOM 26 CD GLN A 2 37.647 57.091 23.721 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.225 57.476 24.810 1.00 0.00 O ATOM 28 NE2 GLN A 2 38.013 57.990 22.811 1.00 0.00 N ATOM 0 H GLN A 2 34.177 53.808 22.712 1.00 0.00 H new ATOM 0 HA GLN A 2 36.907 53.495 21.650 1.00 0.00 H new ATOM 0 HB2 GLN A 2 35.971 55.765 22.103 1.00 0.00 H new ATOM 0 HB3 GLN A 2 35.613 55.287 23.750 1.00 0.00 H new ATOM 0 HG2 GLN A 2 38.029 55.025 24.221 1.00 0.00 H new ATOM 0 HG3 GLN A 2 38.413 55.437 22.562 1.00 0.00 H new ATOM 0 HE21 GLN A 2 38.365 57.683 21.904 1.00 0.00 H new ATOM 0 HE22 GLN A 2 37.942 58.986 23.020 1.00 0.00 H new ATOM 37 N ILE A 3 37.894 52.211 23.494 1.00 0.00 N ATOM 38 CA ILE A 3 38.642 51.610 24.580 1.00 0.00 C ATOM 39 C ILE A 3 39.980 52.334 24.739 1.00 0.00 C ATOM 40 O ILE A 3 40.330 53.186 23.924 1.00 0.00 O ATOM 41 CB ILE A 3 38.813 50.105 24.391 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.575 49.768 23.113 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.459 49.407 24.479 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.972 48.301 22.972 1.00 0.00 C ATOM 0 H ILE A 3 38.404 52.201 22.611 1.00 0.00 H new ATOM 0 HA ILE A 3 38.077 51.728 25.504 1.00 0.00 H new ATOM 0 HB ILE A 3 39.432 49.724 25.203 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.961 50.048 22.257 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.477 50.379 23.072 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.593 48.334 24.343 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.015 49.596 25.456 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.800 49.792 23.701 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.508 48.158 22.034 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.615 48.016 23.805 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.076 47.680 22.976 1.00 0.00 H new ATOM 56 N PHE A 4 40.755 51.983 25.761 1.00 0.00 N ATOM 57 CA PHE A 4 42.122 52.425 25.942 1.00 0.00 C ATOM 58 C PHE A 4 43.110 51.262 25.836 1.00 0.00 C ATOM 59 O PHE A 4 42.751 50.094 25.968 1.00 0.00 O ATOM 60 CB PHE A 4 42.265 53.171 27.266 1.00 0.00 C ATOM 61 CG PHE A 4 41.796 54.607 27.259 1.00 0.00 C ATOM 62 CD1 PHE A 4 42.734 55.642 27.156 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.435 54.912 27.388 1.00 0.00 C ATOM 64 CE1 PHE A 4 42.316 56.977 27.199 1.00 0.00 C ATOM 65 CE2 PHE A 4 40.012 56.246 27.402 1.00 0.00 C ATOM 66 CZ PHE A 4 40.953 57.278 27.318 1.00 0.00 C ATOM 0 H PHE A 4 40.433 51.364 26.505 1.00 0.00 H new ATOM 0 HA PHE A 4 42.367 53.116 25.136 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.708 52.629 28.030 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.314 53.151 27.562 1.00 0.00 H new ATOM 0 HD1 PHE A 4 43.783 55.409 27.043 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.710 54.116 27.477 1.00 0.00 H new ATOM 0 HE1 PHE A 4 43.043 57.774 27.141 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.960 56.479 27.478 1.00 0.00 H new ATOM 0 HZ PHE A 4 40.628 58.308 27.345 1.00 0.00 H new ATOM 76 N VAL A 5 44.381 51.590 25.619 1.00 0.00 N ATOM 77 CA VAL A 5 45.503 50.689 25.781 1.00 0.00 C ATOM 78 C VAL A 5 46.622 51.425 26.522 1.00 0.00 C ATOM 79 O VAL A 5 46.915 52.568 26.178 1.00 0.00 O ATOM 80 CB VAL A 5 46.011 50.131 24.454 1.00 0.00 C ATOM 81 CG1 VAL A 5 46.863 48.890 24.700 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.908 49.737 23.477 1.00 0.00 C ATOM 0 H VAL A 5 44.660 52.523 25.316 1.00 0.00 H new ATOM 0 HA VAL A 5 45.166 49.829 26.360 1.00 0.00 H new ATOM 0 HB VAL A 5 46.583 50.943 24.006 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.221 48.499 23.747 1.00 0.00 H new ATOM 0 HG12 VAL A 5 47.715 49.152 25.327 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.263 48.130 25.201 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.354 49.351 22.561 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.281 48.968 23.927 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.299 50.611 23.244 1.00 0.00 H new ATOM 92 N LYS A 6 47.253 50.810 27.518 1.00 0.00 N ATOM 93 CA LYS A 6 48.402 51.328 28.233 1.00 0.00 C ATOM 94 C LYS A 6 49.635 50.424 28.181 1.00 0.00 C ATOM 95 O LYS A 6 49.546 49.207 28.027 1.00 0.00 O ATOM 96 CB LYS A 6 48.054 51.727 29.665 1.00 0.00 C ATOM 97 CG LYS A 6 47.332 50.670 30.495 1.00 0.00 C ATOM 98 CD LYS A 6 47.463 50.888 32.000 1.00 0.00 C ATOM 99 CE LYS A 6 47.256 52.314 32.503 1.00 0.00 C ATOM 100 NZ LYS A 6 45.855 52.757 32.438 1.00 0.00 N ATOM 0 H LYS A 6 46.959 49.895 27.860 1.00 0.00 H new ATOM 0 HA LYS A 6 48.685 52.232 27.693 1.00 0.00 H new ATOM 0 HB2 LYS A 6 48.976 51.998 30.180 1.00 0.00 H new ATOM 0 HB3 LYS A 6 47.432 52.622 29.631 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.276 50.667 30.226 1.00 0.00 H new ATOM 0 HG3 LYS A 6 47.728 49.687 30.242 1.00 0.00 H new ATOM 0 HD2 LYS A 6 46.743 50.241 32.502 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.456 50.559 32.307 1.00 0.00 H new ATOM 0 HE2 LYS A 6 47.604 52.382 33.534 1.00 0.00 H new ATOM 0 HE3 LYS A 6 47.872 52.993 31.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 45.782 53.732 32.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 45.525 52.722 31.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 45.265 52.131 33.023 1.00 0.00 H new ATOM 114 N THR A 7 50.795 51.051 28.354 1.00 0.00 N ATOM 115 CA THR A 7 52.118 50.472 28.252 1.00 0.00 C ATOM 116 C THR A 7 52.840 50.579 29.597 1.00 0.00 C ATOM 117 O THR A 7 52.659 51.565 30.308 1.00 0.00 O ATOM 118 CB THR A 7 52.888 51.190 27.146 1.00 0.00 C ATOM 119 OG1 THR A 7 52.088 51.278 25.989 1.00 0.00 O ATOM 120 CG2 THR A 7 54.155 50.453 26.720 1.00 0.00 C ATOM 0 H THR A 7 50.831 52.044 28.585 1.00 0.00 H new ATOM 0 HA THR A 7 52.048 49.414 27.999 1.00 0.00 H new ATOM 0 HB THR A 7 53.153 52.164 27.557 1.00 0.00 H new ATOM 0 HG1 THR A 7 52.585 51.741 25.282 1.00 0.00 H new ATOM 0 HG21 THR A 7 54.655 51.015 25.932 1.00 0.00 H new ATOM 0 HG22 THR A 7 54.823 50.354 27.575 1.00 0.00 H new ATOM 0 HG23 THR A 7 53.892 49.463 26.348 1.00 0.00 H new ATOM 128 N LEU A 8 53.688 49.618 29.954 1.00 0.00 N ATOM 129 CA LEU A 8 54.434 49.639 31.196 1.00 0.00 C ATOM 130 C LEU A 8 55.386 50.830 31.316 1.00 0.00 C ATOM 131 O LEU A 8 55.737 51.218 32.428 1.00 0.00 O ATOM 132 CB LEU A 8 55.189 48.325 31.375 1.00 0.00 C ATOM 133 CG LEU A 8 54.312 47.090 31.561 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.196 45.848 31.639 1.00 0.00 C ATOM 135 CD2 LEU A 8 53.472 47.128 32.834 1.00 0.00 C ATOM 0 H LEU A 8 53.874 48.797 29.379 1.00 0.00 H new ATOM 0 HA LEU A 8 53.704 49.756 31.997 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.827 48.170 30.505 1.00 0.00 H new ATOM 0 HB3 LEU A 8 55.846 48.417 32.240 1.00 0.00 H new ATOM 0 HG LEU A 8 53.637 47.067 30.706 1.00 0.00 H new ATOM 0 HD11 LEU A 8 54.571 44.965 31.772 1.00 0.00 H new ATOM 0 HD12 LEU A 8 55.770 45.751 30.717 1.00 0.00 H new ATOM 0 HD13 LEU A 8 55.879 45.940 32.484 1.00 0.00 H new ATOM 0 HD21 LEU A 8 52.873 46.220 32.902 1.00 0.00 H new ATOM 0 HD22 LEU A 8 54.129 47.196 33.701 1.00 0.00 H new ATOM 0 HD23 LEU A 8 52.813 47.996 32.809 1.00 0.00 H new ATOM 147 N THR A 9 55.747 51.466 30.205 1.00 0.00 N ATOM 148 CA THR A 9 56.485 52.711 30.134 1.00 0.00 C ATOM 149 C THR A 9 55.727 53.941 30.639 1.00 0.00 C ATOM 150 O THR A 9 56.367 54.942 30.952 1.00 0.00 O ATOM 151 CB THR A 9 56.881 52.998 28.689 1.00 0.00 C ATOM 152 OG1 THR A 9 55.721 53.060 27.889 1.00 0.00 O ATOM 153 CG2 THR A 9 57.796 51.927 28.101 1.00 0.00 C ATOM 0 H THR A 9 55.516 51.101 29.281 1.00 0.00 H new ATOM 0 HA THR A 9 57.343 52.558 30.789 1.00 0.00 H new ATOM 0 HB THR A 9 57.421 53.945 28.695 1.00 0.00 H new ATOM 0 HG1 THR A 9 55.973 53.246 26.961 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.044 52.185 27.071 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.711 51.867 28.690 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.287 50.963 28.121 1.00 0.00 H new ATOM 161 N GLY A 10 54.401 53.885 30.719 1.00 0.00 N ATOM 162 CA GLY A 10 53.523 54.987 31.059 1.00 0.00 C ATOM 163 C GLY A 10 52.717 55.552 29.888 1.00 0.00 C ATOM 164 O GLY A 10 51.749 56.275 30.112 1.00 0.00 O ATOM 0 H GLY A 10 53.888 53.022 30.538 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.830 54.655 31.832 1.00 0.00 H new ATOM 0 HA3 GLY A 10 54.121 55.790 31.490 1.00 0.00 H new ATOM 168 N LYS A 11 53.043 55.197 28.648 1.00 0.00 N ATOM 169 CA LYS A 11 52.319 55.613 27.464 1.00 0.00 C ATOM 170 C LYS A 11 50.911 55.015 27.442 1.00 0.00 C ATOM 171 O LYS A 11 50.721 53.888 27.892 1.00 0.00 O ATOM 172 CB LYS A 11 53.119 55.218 26.227 1.00 0.00 C ATOM 173 CG LYS A 11 52.800 56.004 24.958 1.00 0.00 C ATOM 174 CD LYS A 11 53.174 57.483 24.985 1.00 0.00 C ATOM 175 CE LYS A 11 54.638 57.763 25.310 1.00 0.00 C ATOM 176 NZ LYS A 11 55.550 57.416 24.208 1.00 0.00 N ATOM 0 H LYS A 11 53.840 54.596 28.440 1.00 0.00 H new ATOM 0 HA LYS A 11 52.199 56.696 27.473 1.00 0.00 H new ATOM 0 HB2 LYS A 11 54.180 55.336 26.449 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.950 54.159 26.030 1.00 0.00 H new ATOM 0 HG2 LYS A 11 53.316 55.533 24.121 1.00 0.00 H new ATOM 0 HG3 LYS A 11 51.731 55.922 24.761 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.941 57.921 24.014 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.549 57.989 25.721 1.00 0.00 H new ATOM 0 HE2 LYS A 11 54.755 58.819 25.552 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.921 57.200 26.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 56.529 57.628 24.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 55.464 56.402 23.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 55.303 57.972 23.365 1.00 0.00 H new ATOM 190 N THR A 12 49.922 55.737 26.921 1.00 0.00 N ATOM 191 CA THR A 12 48.595 55.210 26.678 1.00 0.00 C ATOM 192 C THR A 12 47.926 55.847 25.459 1.00 0.00 C ATOM 193 O THR A 12 48.178 57.007 25.140 1.00 0.00 O ATOM 194 CB THR A 12 47.735 55.301 27.937 1.00 0.00 C ATOM 195 OG1 THR A 12 46.505 54.625 27.801 1.00 0.00 O ATOM 196 CG2 THR A 12 47.409 56.723 28.384 1.00 0.00 C ATOM 0 H THR A 12 50.028 56.716 26.655 1.00 0.00 H new ATOM 0 HA THR A 12 48.701 54.153 26.433 1.00 0.00 H new ATOM 0 HB THR A 12 48.364 54.829 28.692 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.615 53.866 27.191 1.00 0.00 H new ATOM 0 HG21 THR A 12 46.795 56.690 29.284 1.00 0.00 H new ATOM 0 HG22 THR A 12 48.334 57.259 28.595 1.00 0.00 H new ATOM 0 HG23 THR A 12 46.864 57.237 27.592 1.00 0.00 H new ATOM 204 N ILE A 13 47.078 55.097 24.760 1.00 0.00 N ATOM 205 CA ILE A 13 46.329 55.508 23.589 1.00 0.00 C ATOM 206 C ILE A 13 44.854 55.118 23.696 1.00 0.00 C ATOM 207 O ILE A 13 44.507 54.181 24.412 1.00 0.00 O ATOM 208 CB ILE A 13 46.944 54.957 22.306 1.00 0.00 C ATOM 209 CG1 ILE A 13 47.062 53.436 22.308 1.00 0.00 C ATOM 210 CG2 ILE A 13 48.283 55.637 22.035 1.00 0.00 C ATOM 211 CD1 ILE A 13 47.425 52.836 20.952 1.00 0.00 C ATOM 0 H ILE A 13 46.888 54.128 25.017 1.00 0.00 H new ATOM 0 HA ILE A 13 46.383 56.596 23.544 1.00 0.00 H new ATOM 0 HB ILE A 13 46.264 55.191 21.487 1.00 0.00 H new ATOM 0 HG12 ILE A 13 47.817 53.142 23.037 1.00 0.00 H new ATOM 0 HG13 ILE A 13 46.115 53.010 22.640 1.00 0.00 H new ATOM 0 HG21 ILE A 13 48.715 55.238 21.117 1.00 0.00 H new ATOM 0 HG22 ILE A 13 48.130 56.711 21.927 1.00 0.00 H new ATOM 0 HG23 ILE A 13 48.962 55.449 22.867 1.00 0.00 H new ATOM 0 HD11 ILE A 13 47.489 51.751 21.039 1.00 0.00 H new ATOM 0 HD12 ILE A 13 46.659 53.097 20.222 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.387 53.231 20.625 1.00 0.00 H new ATOM 223 N THR A 14 43.993 55.794 22.941 1.00 0.00 N ATOM 224 CA THR A 14 42.626 55.390 22.684 1.00 0.00 C ATOM 225 C THR A 14 42.521 54.553 21.409 1.00 0.00 C ATOM 226 O THR A 14 43.252 54.799 20.452 1.00 0.00 O ATOM 227 CB THR A 14 41.678 56.581 22.558 1.00 0.00 C ATOM 228 OG1 THR A 14 42.195 57.564 21.690 1.00 0.00 O ATOM 229 CG2 THR A 14 41.391 57.245 23.901 1.00 0.00 C ATOM 0 H THR A 14 44.243 56.668 22.478 1.00 0.00 H new ATOM 0 HA THR A 14 42.329 54.793 23.547 1.00 0.00 H new ATOM 0 HB THR A 14 40.751 56.172 22.156 1.00 0.00 H new ATOM 0 HG1 THR A 14 41.564 58.312 21.630 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.712 58.085 23.754 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.932 56.521 24.574 1.00 0.00 H new ATOM 0 HG23 THR A 14 42.324 57.604 24.336 1.00 0.00 H new ATOM 237 N LEU A 15 41.602 53.591 21.369 1.00 0.00 N ATOM 238 CA LEU A 15 41.372 52.713 20.239 1.00 0.00 C ATOM 239 C LEU A 15 39.884 52.631 19.888 1.00 0.00 C ATOM 240 O LEU A 15 39.045 52.546 20.782 1.00 0.00 O ATOM 241 CB LEU A 15 41.947 51.335 20.552 1.00 0.00 C ATOM 242 CG LEU A 15 42.711 50.691 19.399 1.00 0.00 C ATOM 243 CD1 LEU A 15 44.065 51.358 19.176 1.00 0.00 C ATOM 244 CD2 LEU A 15 42.968 49.223 19.725 1.00 0.00 C ATOM 0 H LEU A 15 40.978 53.400 22.153 1.00 0.00 H new ATOM 0 HA LEU A 15 41.878 53.120 19.363 1.00 0.00 H new ATOM 0 HB2 LEU A 15 42.614 51.420 21.410 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.132 50.673 20.846 1.00 0.00 H new ATOM 0 HG LEU A 15 42.105 50.803 18.500 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.578 50.871 18.347 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.917 52.412 18.942 1.00 0.00 H new ATOM 0 HD13 LEU A 15 44.668 51.268 20.079 1.00 0.00 H new ATOM 0 HD21 LEU A 15 43.514 48.758 18.904 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.557 49.151 20.639 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.017 48.709 19.865 1.00 0.00 H new ATOM 256 N GLU A 16 39.567 52.603 18.597 1.00 0.00 N ATOM 257 CA GLU A 16 38.212 52.485 18.094 1.00 0.00 C ATOM 258 C GLU A 16 37.874 51.028 17.773 1.00 0.00 C ATOM 259 O GLU A 16 38.526 50.401 16.941 1.00 0.00 O ATOM 260 CB GLU A 16 38.025 53.359 16.859 1.00 0.00 C ATOM 261 CG GLU A 16 38.029 54.860 17.138 1.00 0.00 C ATOM 262 CD GLU A 16 36.761 55.314 17.865 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.653 55.201 17.297 1.00 0.00 O ATOM 264 OE2 GLU A 16 36.851 55.794 19.016 1.00 0.00 O ATOM 0 H GLU A 16 40.267 52.664 17.857 1.00 0.00 H new ATOM 0 HA GLU A 16 37.530 52.829 18.871 1.00 0.00 H new ATOM 0 HB2 GLU A 16 38.818 53.133 16.146 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.082 53.094 16.381 1.00 0.00 H new ATOM 0 HG2 GLU A 16 38.902 55.114 17.739 1.00 0.00 H new ATOM 0 HG3 GLU A 16 38.121 55.403 16.197 1.00 0.00 H new ATOM 271 N VAL A 17 36.854 50.486 18.431 1.00 0.00 N ATOM 272 CA VAL A 17 36.444 49.099 18.342 1.00 0.00 C ATOM 273 C VAL A 17 34.923 48.942 18.411 1.00 0.00 C ATOM 274 O VAL A 17 34.219 49.737 19.032 1.00 0.00 O ATOM 275 CB VAL A 17 37.077 48.249 19.438 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.598 48.180 19.326 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.715 48.726 20.842 1.00 0.00 C ATOM 0 H VAL A 17 36.269 51.029 19.066 1.00 0.00 H new ATOM 0 HA VAL A 17 36.792 48.749 17.370 1.00 0.00 H new ATOM 0 HB VAL A 17 36.662 47.253 19.284 1.00 0.00 H new ATOM 0 HG11 VAL A 17 38.994 47.562 20.132 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.873 47.744 18.365 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.014 49.185 19.401 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.194 48.083 21.580 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.058 49.752 20.978 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.634 48.685 20.973 1.00 0.00 H new ATOM 287 N GLU A 18 34.413 47.851 17.848 1.00 0.00 N ATOM 288 CA GLU A 18 33.060 47.375 18.055 1.00 0.00 C ATOM 289 C GLU A 18 33.082 45.994 18.712 1.00 0.00 C ATOM 290 O GLU A 18 34.114 45.328 18.669 1.00 0.00 O ATOM 291 CB GLU A 18 32.320 47.374 16.720 1.00 0.00 C ATOM 292 CG GLU A 18 32.014 48.772 16.188 1.00 0.00 C ATOM 293 CD GLU A 18 30.957 49.494 17.024 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.815 49.000 17.134 1.00 0.00 O ATOM 295 OE2 GLU A 18 31.234 50.592 17.556 1.00 0.00 O ATOM 0 H GLU A 18 34.952 47.259 17.216 1.00 0.00 H new ATOM 0 HA GLU A 18 32.525 48.039 18.734 1.00 0.00 H new ATOM 0 HB2 GLU A 18 32.918 46.837 15.983 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.385 46.825 16.833 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.930 49.362 16.177 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.670 48.698 15.156 1.00 0.00 H new ATOM 302 N PRO A 19 31.987 45.513 19.296 1.00 0.00 N ATOM 303 CA PRO A 19 31.954 44.258 20.018 1.00 0.00 C ATOM 304 C PRO A 19 32.411 43.022 19.241 1.00 0.00 C ATOM 305 O PRO A 19 32.759 42.006 19.839 1.00 0.00 O ATOM 306 CB PRO A 19 30.516 44.104 20.502 1.00 0.00 C ATOM 307 CG PRO A 19 30.041 45.547 20.645 1.00 0.00 C ATOM 308 CD PRO A 19 30.728 46.212 19.456 1.00 0.00 C ATOM 0 HA PRO A 19 32.683 44.308 20.827 1.00 0.00 H new ATOM 0 HB2 PRO A 19 29.908 43.549 19.788 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.465 43.567 21.449 1.00 0.00 H new ATOM 0 HG2 PRO A 19 28.955 45.629 20.590 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.346 45.987 21.594 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.118 46.133 18.556 1.00 0.00 H new ATOM 0 HD3 PRO A 19 30.889 47.274 19.640 1.00 0.00 H new ATOM 316 N SER A 20 32.420 43.104 17.913 1.00 0.00 N ATOM 317 CA SER A 20 32.795 42.049 16.995 1.00 0.00 C ATOM 318 C SER A 20 34.238 42.110 16.491 1.00 0.00 C ATOM 319 O SER A 20 34.657 41.171 15.819 1.00 0.00 O ATOM 320 CB SER A 20 31.836 42.029 15.808 1.00 0.00 C ATOM 321 OG SER A 20 30.493 42.173 16.211 1.00 0.00 O ATOM 0 H SER A 20 32.149 43.960 17.428 1.00 0.00 H new ATOM 0 HA SER A 20 32.727 41.127 17.573 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.096 42.832 15.119 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.953 41.092 15.264 1.00 0.00 H new ATOM 0 HG SER A 20 29.911 42.157 15.422 1.00 0.00 H new ATOM 327 N ASP A 21 35.011 43.153 16.785 1.00 0.00 N ATOM 328 CA ASP A 21 36.399 43.241 16.382 1.00 0.00 C ATOM 329 C ASP A 21 37.225 42.121 17.015 1.00 0.00 C ATOM 330 O ASP A 21 37.095 41.857 18.208 1.00 0.00 O ATOM 331 CB ASP A 21 37.016 44.583 16.767 1.00 0.00 C ATOM 332 CG ASP A 21 36.749 45.695 15.749 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.616 46.221 15.714 1.00 0.00 O ATOM 334 OD2 ASP A 21 37.690 46.082 15.021 1.00 0.00 O ATOM 0 H ASP A 21 34.683 43.962 17.313 1.00 0.00 H new ATOM 0 HA ASP A 21 36.415 43.142 15.297 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.624 44.888 17.737 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.093 44.459 16.883 1.00 0.00 H new ATOM 339 N THR A 22 38.116 41.492 16.252 1.00 0.00 N ATOM 340 CA THR A 22 38.980 40.441 16.751 1.00 0.00 C ATOM 341 C THR A 22 40.172 40.999 17.532 1.00 0.00 C ATOM 342 O THR A 22 40.540 42.161 17.381 1.00 0.00 O ATOM 343 CB THR A 22 39.453 39.461 15.682 1.00 0.00 C ATOM 344 OG1 THR A 22 40.446 40.022 14.854 1.00 0.00 O ATOM 345 CG2 THR A 22 38.330 38.952 14.783 1.00 0.00 C ATOM 0 H THR A 22 38.255 41.704 15.264 1.00 0.00 H new ATOM 0 HA THR A 22 38.351 39.870 17.434 1.00 0.00 H new ATOM 0 HB THR A 22 39.858 38.622 16.247 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.021 40.486 14.102 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.739 38.260 14.047 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.584 38.438 15.389 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.864 39.794 14.270 1.00 0.00 H new ATOM 353 N ILE A 23 40.821 40.172 18.346 1.00 0.00 N ATOM 354 CA ILE A 23 42.037 40.548 19.039 1.00 0.00 C ATOM 355 C ILE A 23 43.152 40.876 18.045 1.00 0.00 C ATOM 356 O ILE A 23 43.918 41.810 18.275 1.00 0.00 O ATOM 357 CB ILE A 23 42.405 39.479 20.064 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.705 39.701 21.402 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.899 39.423 20.367 1.00 0.00 C ATOM 360 CD1 ILE A 23 40.180 39.624 21.412 1.00 0.00 C ATOM 0 H ILE A 23 40.513 39.219 18.541 1.00 0.00 H new ATOM 0 HA ILE A 23 41.875 41.467 19.602 1.00 0.00 H new ATOM 0 HB ILE A 23 42.083 38.547 19.599 1.00 0.00 H new ATOM 0 HG12 ILE A 23 42.085 38.964 22.109 1.00 0.00 H new ATOM 0 HG13 ILE A 23 41.996 40.682 21.777 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.092 38.642 21.103 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.448 39.203 19.451 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.226 40.384 20.764 1.00 0.00 H new ATOM 0 HD11 ILE A 23 39.813 39.800 22.423 1.00 0.00 H new ATOM 0 HD12 ILE A 23 39.773 40.381 20.741 1.00 0.00 H new ATOM 0 HD13 ILE A 23 39.863 38.636 21.078 1.00 0.00 H new ATOM 372 N GLU A 24 43.213 40.203 16.899 1.00 0.00 N ATOM 373 CA GLU A 24 44.177 40.509 15.862 1.00 0.00 C ATOM 374 C GLU A 24 43.882 41.818 15.126 1.00 0.00 C ATOM 375 O GLU A 24 44.826 42.495 14.724 1.00 0.00 O ATOM 376 CB GLU A 24 44.327 39.323 14.914 1.00 0.00 C ATOM 377 CG GLU A 24 45.009 38.155 15.622 1.00 0.00 C ATOM 378 CD GLU A 24 45.150 36.916 14.737 1.00 0.00 C ATOM 379 OE1 GLU A 24 46.254 36.332 14.680 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.146 36.493 14.124 1.00 0.00 O ATOM 0 H GLU A 24 42.590 39.429 16.669 1.00 0.00 H new ATOM 0 HA GLU A 24 45.137 40.677 16.350 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.347 39.014 14.551 1.00 0.00 H new ATOM 0 HB3 GLU A 24 44.911 39.618 14.042 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.997 38.469 15.958 1.00 0.00 H new ATOM 0 HG3 GLU A 24 44.438 37.895 16.513 1.00 0.00 H new ATOM 387 N ASN A 25 42.627 42.251 15.048 1.00 0.00 N ATOM 388 CA ASN A 25 42.300 43.592 14.608 1.00 0.00 C ATOM 389 C ASN A 25 42.773 44.642 15.618 1.00 0.00 C ATOM 390 O ASN A 25 43.332 45.663 15.226 1.00 0.00 O ATOM 391 CB ASN A 25 40.808 43.755 14.332 1.00 0.00 C ATOM 392 CG ASN A 25 40.246 42.793 13.282 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.336 42.017 13.565 1.00 0.00 O ATOM 394 ND2 ASN A 25 40.743 42.811 12.049 1.00 0.00 N ATOM 0 H ASN A 25 41.816 41.681 15.288 1.00 0.00 H new ATOM 0 HA ASN A 25 42.832 43.752 13.670 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.262 43.614 15.265 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.622 44.778 14.005 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.369 42.181 11.339 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.498 43.455 11.813 1.00 0.00 H new ATOM 401 N VAL A 26 42.626 44.395 16.916 1.00 0.00 N ATOM 402 CA VAL A 26 43.142 45.268 17.950 1.00 0.00 C ATOM 403 C VAL A 26 44.668 45.369 17.891 1.00 0.00 C ATOM 404 O VAL A 26 45.186 46.483 17.913 1.00 0.00 O ATOM 405 CB VAL A 26 42.618 44.857 19.324 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.365 45.494 20.491 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.152 45.267 19.439 1.00 0.00 C ATOM 0 H VAL A 26 42.140 43.574 17.277 1.00 0.00 H new ATOM 0 HA VAL A 26 42.770 46.276 17.766 1.00 0.00 H new ATOM 0 HB VAL A 26 42.762 43.779 19.391 1.00 0.00 H new ATOM 0 HG11 VAL A 26 42.932 45.151 21.431 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.416 45.208 20.450 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.282 46.579 20.428 1.00 0.00 H new ATOM 0 HG21 VAL A 26 40.769 44.977 20.417 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.066 46.347 19.321 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.573 44.770 18.661 1.00 0.00 H new ATOM 417 N LYS A 27 45.383 44.264 17.697 1.00 0.00 N ATOM 418 CA LYS A 27 46.812 44.266 17.463 1.00 0.00 C ATOM 419 C LYS A 27 47.216 45.121 16.260 1.00 0.00 C ATOM 420 O LYS A 27 48.180 45.878 16.346 1.00 0.00 O ATOM 421 CB LYS A 27 47.322 42.841 17.271 1.00 0.00 C ATOM 422 CG LYS A 27 47.371 42.011 18.550 1.00 0.00 C ATOM 423 CD LYS A 27 47.802 40.584 18.226 1.00 0.00 C ATOM 424 CE LYS A 27 48.249 39.859 19.492 1.00 0.00 C ATOM 425 NZ LYS A 27 48.718 38.499 19.184 1.00 0.00 N ATOM 0 H LYS A 27 44.973 43.330 17.699 1.00 0.00 H new ATOM 0 HA LYS A 27 47.270 44.710 18.347 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.683 42.334 16.548 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.322 42.881 16.840 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.068 42.459 19.258 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.391 42.005 19.028 1.00 0.00 H new ATOM 0 HD2 LYS A 27 46.975 40.044 17.764 1.00 0.00 H new ATOM 0 HD3 LYS A 27 48.617 40.600 17.502 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.048 40.422 19.975 1.00 0.00 H new ATOM 0 HE3 LYS A 27 47.421 39.810 20.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 49.260 38.128 19.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 47.900 37.882 19.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 49.326 38.524 18.341 1.00 0.00 H new ATOM 439 N ALA A 28 46.468 45.038 15.164 1.00 0.00 N ATOM 440 CA ALA A 28 46.713 45.819 13.968 1.00 0.00 C ATOM 441 C ALA A 28 46.393 47.306 14.132 1.00 0.00 C ATOM 442 O ALA A 28 47.085 48.150 13.567 1.00 0.00 O ATOM 443 CB ALA A 28 45.920 45.204 12.817 1.00 0.00 C ATOM 0 H ALA A 28 45.664 44.415 15.086 1.00 0.00 H new ATOM 0 HA ALA A 28 47.781 45.783 13.755 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.093 45.780 11.908 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.243 44.175 12.662 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.857 45.218 13.059 1.00 0.00 H new ATOM 449 N LYS A 29 45.398 47.661 14.940 1.00 0.00 N ATOM 450 CA LYS A 29 45.073 49.032 15.277 1.00 0.00 C ATOM 451 C LYS A 29 46.147 49.658 16.169 1.00 0.00 C ATOM 452 O LYS A 29 46.603 50.768 15.896 1.00 0.00 O ATOM 453 CB LYS A 29 43.675 49.095 15.887 1.00 0.00 C ATOM 454 CG LYS A 29 42.579 48.901 14.843 1.00 0.00 C ATOM 455 CD LYS A 29 41.183 48.786 15.447 1.00 0.00 C ATOM 456 CE LYS A 29 40.161 48.746 14.316 1.00 0.00 C ATOM 457 NZ LYS A 29 38.773 48.622 14.786 1.00 0.00 N ATOM 0 H LYS A 29 44.783 46.981 15.387 1.00 0.00 H new ATOM 0 HA LYS A 29 45.060 49.633 14.368 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.581 48.328 16.656 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.539 50.058 16.379 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.598 49.739 14.147 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.792 48.002 14.265 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.108 47.885 16.056 1.00 0.00 H new ATOM 0 HD3 LYS A 29 40.985 49.632 16.105 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.255 49.653 13.719 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.390 47.907 13.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 38.127 48.997 14.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.554 47.620 14.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.656 49.161 15.668 1.00 0.00 H new ATOM 471 N ILE A 30 46.646 48.912 17.150 1.00 0.00 N ATOM 472 CA ILE A 30 47.788 49.280 17.962 1.00 0.00 C ATOM 473 C ILE A 30 49.041 49.447 17.100 1.00 0.00 C ATOM 474 O ILE A 30 49.796 50.396 17.299 1.00 0.00 O ATOM 475 CB ILE A 30 47.986 48.261 19.081 1.00 0.00 C ATOM 476 CG1 ILE A 30 46.838 48.345 20.083 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.319 48.436 19.803 1.00 0.00 C ATOM 478 CD1 ILE A 30 46.745 47.143 21.019 1.00 0.00 C ATOM 0 H ILE A 30 46.250 48.007 17.405 1.00 0.00 H new ATOM 0 HA ILE A 30 47.597 50.247 18.427 1.00 0.00 H new ATOM 0 HB ILE A 30 47.996 47.276 18.614 1.00 0.00 H new ATOM 0 HG12 ILE A 30 46.955 49.250 20.680 1.00 0.00 H new ATOM 0 HG13 ILE A 30 45.899 48.442 19.538 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.408 47.686 20.589 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.136 48.316 19.092 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.366 49.431 20.245 1.00 0.00 H new ATOM 0 HD11 ILE A 30 45.905 47.277 21.701 1.00 0.00 H new ATOM 0 HD12 ILE A 30 46.596 46.236 20.433 1.00 0.00 H new ATOM 0 HD13 ILE A 30 47.668 47.056 21.593 1.00 0.00 H new ATOM 490 N GLN A 31 49.259 48.579 16.116 1.00 0.00 N ATOM 491 CA GLN A 31 50.359 48.682 15.179 1.00 0.00 C ATOM 492 C GLN A 31 50.341 49.996 14.394 1.00 0.00 C ATOM 493 O GLN A 31 51.393 50.615 14.250 1.00 0.00 O ATOM 494 CB GLN A 31 50.351 47.483 14.235 1.00 0.00 C ATOM 495 CG GLN A 31 51.506 47.513 13.237 1.00 0.00 C ATOM 496 CD GLN A 31 51.569 46.267 12.351 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.614 45.509 12.191 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.729 45.991 11.760 1.00 0.00 N ATOM 0 H GLN A 31 48.660 47.770 15.950 1.00 0.00 H new ATOM 0 HA GLN A 31 51.284 48.680 15.756 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.405 46.565 14.820 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.407 47.460 13.691 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.409 48.396 12.605 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.445 47.612 13.781 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.527 46.614 11.887 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.820 45.157 11.180 1.00 0.00 H new ATOM 507 N ASP A 32 49.190 50.445 13.903 1.00 0.00 N ATOM 508 CA ASP A 32 49.100 51.737 13.254 1.00 0.00 C ATOM 509 C ASP A 32 49.332 52.883 14.241 1.00 0.00 C ATOM 510 O ASP A 32 50.197 53.727 14.013 1.00 0.00 O ATOM 511 CB ASP A 32 47.762 51.905 12.539 1.00 0.00 C ATOM 512 CG ASP A 32 47.688 53.239 11.794 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.654 53.936 11.883 1.00 0.00 O ATOM 514 OD2 ASP A 32 48.651 53.580 11.074 1.00 0.00 O ATOM 0 H ASP A 32 48.311 49.930 13.945 1.00 0.00 H new ATOM 0 HA ASP A 32 49.893 51.776 12.507 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.619 51.085 11.835 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.951 51.847 13.265 1.00 0.00 H new ATOM 519 N LYS A 33 48.588 52.904 15.344 1.00 0.00 N ATOM 520 CA LYS A 33 48.551 54.037 16.247 1.00 0.00 C ATOM 521 C LYS A 33 49.810 54.211 17.099 1.00 0.00 C ATOM 522 O LYS A 33 50.114 55.337 17.485 1.00 0.00 O ATOM 523 CB LYS A 33 47.258 53.984 17.057 1.00 0.00 C ATOM 524 CG LYS A 33 46.956 55.297 17.773 1.00 0.00 C ATOM 525 CD LYS A 33 45.460 55.465 18.025 1.00 0.00 C ATOM 526 CE LYS A 33 45.194 56.809 18.697 1.00 0.00 C ATOM 527 NZ LYS A 33 43.752 57.060 18.847 1.00 0.00 N ATOM 0 H LYS A 33 47.993 52.128 15.633 1.00 0.00 H new ATOM 0 HA LYS A 33 48.549 54.946 15.646 1.00 0.00 H new ATOM 0 HB2 LYS A 33 46.429 53.738 16.394 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.327 53.182 17.792 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.492 55.327 18.722 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.321 56.132 17.174 1.00 0.00 H new ATOM 0 HD2 LYS A 33 44.915 55.405 17.083 1.00 0.00 H new ATOM 0 HD3 LYS A 33 45.095 54.655 18.656 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.672 56.828 19.677 1.00 0.00 H new ATOM 0 HE3 LYS A 33 45.644 57.607 18.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.606 57.981 19.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 43.301 57.066 17.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 43.328 56.311 19.430 1.00 0.00 H new ATOM 541 N GLU A 34 50.580 53.154 17.344 1.00 0.00 N ATOM 542 CA GLU A 34 51.811 53.182 18.109 1.00 0.00 C ATOM 543 C GLU A 34 53.044 52.607 17.410 1.00 0.00 C ATOM 544 O GLU A 34 54.105 52.527 18.025 1.00 0.00 O ATOM 545 CB GLU A 34 51.566 52.593 19.496 1.00 0.00 C ATOM 546 CG GLU A 34 51.457 53.652 20.588 1.00 0.00 C ATOM 547 CD GLU A 34 52.791 54.361 20.830 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.059 55.396 20.182 1.00 0.00 O ATOM 549 OE2 GLU A 34 53.623 53.849 21.610 1.00 0.00 O ATOM 0 H GLU A 34 50.350 52.222 16.999 1.00 0.00 H new ATOM 0 HA GLU A 34 52.085 54.232 18.211 1.00 0.00 H new ATOM 0 HB2 GLU A 34 50.649 52.004 19.477 1.00 0.00 H new ATOM 0 HB3 GLU A 34 52.378 51.909 19.742 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.701 54.386 20.308 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.121 53.186 21.514 1.00 0.00 H new ATOM 556 N GLY A 35 52.961 52.244 16.133 1.00 0.00 N ATOM 557 CA GLY A 35 54.111 51.952 15.302 1.00 0.00 C ATOM 558 C GLY A 35 54.805 50.609 15.539 1.00 0.00 C ATOM 559 O GLY A 35 55.944 50.431 15.112 1.00 0.00 O ATOM 0 H GLY A 35 52.072 52.144 15.643 1.00 0.00 H new ATOM 0 HA2 GLY A 35 53.797 51.994 14.259 1.00 0.00 H new ATOM 0 HA3 GLY A 35 54.845 52.745 15.446 1.00 0.00 H new ATOM 563 N ILE A 36 54.152 49.697 16.253 1.00 0.00 N ATOM 564 CA ILE A 36 54.761 48.562 16.918 1.00 0.00 C ATOM 565 C ILE A 36 54.252 47.226 16.373 1.00 0.00 C ATOM 566 O ILE A 36 53.062 46.946 16.502 1.00 0.00 O ATOM 567 CB ILE A 36 54.618 48.753 18.425 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.533 47.801 19.192 1.00 0.00 C ATOM 569 CG2 ILE A 36 53.185 48.713 18.949 1.00 0.00 C ATOM 570 CD1 ILE A 36 55.717 48.216 20.649 1.00 0.00 C ATOM 0 H ILE A 36 53.141 49.735 16.386 1.00 0.00 H new ATOM 0 HA ILE A 36 55.828 48.518 16.700 1.00 0.00 H new ATOM 0 HB ILE A 36 54.943 49.776 18.613 1.00 0.00 H new ATOM 0 HG12 ILE A 36 55.118 46.794 19.154 1.00 0.00 H new ATOM 0 HG13 ILE A 36 56.506 47.764 18.702 1.00 0.00 H new ATOM 0 HG21 ILE A 36 53.188 48.858 20.029 1.00 0.00 H new ATOM 0 HG22 ILE A 36 52.603 49.506 18.478 1.00 0.00 H new ATOM 0 HG23 ILE A 36 52.739 47.747 18.714 1.00 0.00 H new ATOM 0 HD11 ILE A 36 56.376 47.506 21.149 1.00 0.00 H new ATOM 0 HD12 ILE A 36 56.158 49.212 20.691 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.749 48.227 21.149 1.00 0.00 H new ATOM 582 N PRO A 37 55.075 46.390 15.747 1.00 0.00 N ATOM 583 CA PRO A 37 54.608 45.192 15.078 1.00 0.00 C ATOM 584 C PRO A 37 53.986 44.146 16.005 1.00 0.00 C ATOM 585 O PRO A 37 54.567 43.863 17.050 1.00 0.00 O ATOM 586 CB PRO A 37 55.807 44.596 14.347 1.00 0.00 C ATOM 587 CG PRO A 37 56.732 45.794 14.148 1.00 0.00 C ATOM 588 CD PRO A 37 56.458 46.636 15.390 1.00 0.00 C ATOM 0 HA PRO A 37 53.802 45.477 14.402 1.00 0.00 H new ATOM 0 HB2 PRO A 37 56.286 43.812 14.933 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.517 44.150 13.396 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.778 45.493 14.085 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.501 46.337 13.231 1.00 0.00 H new ATOM 0 HD2 PRO A 37 57.126 46.357 16.205 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.626 47.694 15.188 1.00 0.00 H new ATOM 596 N PRO A 38 52.888 43.494 15.630 1.00 0.00 N ATOM 597 CA PRO A 38 52.320 42.376 16.354 1.00 0.00 C ATOM 598 C PRO A 38 53.297 41.227 16.610 1.00 0.00 C ATOM 599 O PRO A 38 53.207 40.587 17.656 1.00 0.00 O ATOM 600 CB PRO A 38 51.105 41.928 15.546 1.00 0.00 C ATOM 601 CG PRO A 38 50.650 43.215 14.864 1.00 0.00 C ATOM 602 CD PRO A 38 51.975 43.918 14.587 1.00 0.00 C ATOM 0 HA PRO A 38 52.046 42.694 17.360 1.00 0.00 H new ATOM 0 HB2 PRO A 38 51.365 41.157 14.820 1.00 0.00 H new ATOM 0 HB3 PRO A 38 50.326 41.513 16.186 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.095 43.016 13.947 1.00 0.00 H new ATOM 0 HG3 PRO A 38 50.000 43.809 15.507 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.359 43.650 13.602 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.850 45.001 14.597 1.00 0.00 H new ATOM 610 N ASP A 39 54.308 41.058 15.764 1.00 0.00 N ATOM 611 CA ASP A 39 55.428 40.157 15.948 1.00 0.00 C ATOM 612 C ASP A 39 56.175 40.321 17.274 1.00 0.00 C ATOM 613 O ASP A 39 56.895 39.407 17.670 1.00 0.00 O ATOM 614 CB ASP A 39 56.387 40.343 14.776 1.00 0.00 C ATOM 615 CG ASP A 39 57.434 39.231 14.677 1.00 0.00 C ATOM 616 OD1 ASP A 39 57.054 38.085 14.355 1.00 0.00 O ATOM 617 OD2 ASP A 39 58.640 39.497 14.873 1.00 0.00 O ATOM 0 H ASP A 39 54.366 41.576 14.887 1.00 0.00 H new ATOM 0 HA ASP A 39 55.020 39.147 15.982 1.00 0.00 H new ATOM 0 HB2 ASP A 39 55.816 40.380 13.849 1.00 0.00 H new ATOM 0 HB3 ASP A 39 56.893 41.303 14.877 1.00 0.00 H new ATOM 622 N GLN A 40 56.010 41.441 17.970 1.00 0.00 N ATOM 623 CA GLN A 40 56.527 41.702 19.298 1.00 0.00 C ATOM 624 C GLN A 40 55.469 42.070 20.339 1.00 0.00 C ATOM 625 O GLN A 40 55.843 42.372 21.471 1.00 0.00 O ATOM 626 CB GLN A 40 57.655 42.727 19.219 1.00 0.00 C ATOM 627 CG GLN A 40 57.240 44.086 18.663 1.00 0.00 C ATOM 628 CD GLN A 40 58.298 45.156 18.935 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.129 45.468 18.085 1.00 0.00 O ATOM 630 NE2 GLN A 40 58.300 45.771 20.115 1.00 0.00 N ATOM 0 H GLN A 40 55.482 42.231 17.598 1.00 0.00 H new ATOM 0 HA GLN A 40 56.926 40.758 19.669 1.00 0.00 H new ATOM 0 HB2 GLN A 40 58.070 42.869 20.217 1.00 0.00 H new ATOM 0 HB3 GLN A 40 58.453 42.323 18.596 1.00 0.00 H new ATOM 0 HG2 GLN A 40 57.073 44.004 17.589 1.00 0.00 H new ATOM 0 HG3 GLN A 40 56.293 44.388 19.111 1.00 0.00 H new ATOM 0 HE21 GLN A 40 57.613 45.516 20.824 1.00 0.00 H new ATOM 0 HE22 GLN A 40 58.989 46.497 20.310 1.00 0.00 H new ATOM 639 N GLN A 41 54.177 42.065 20.023 1.00 0.00 N ATOM 640 CA GLN A 41 53.118 42.424 20.946 1.00 0.00 C ATOM 641 C GLN A 41 52.617 41.222 21.749 1.00 0.00 C ATOM 642 O GLN A 41 52.421 40.148 21.186 1.00 0.00 O ATOM 643 CB GLN A 41 51.914 43.021 20.223 1.00 0.00 C ATOM 644 CG GLN A 41 52.084 44.395 19.582 1.00 0.00 C ATOM 645 CD GLN A 41 50.800 44.855 18.888 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.689 44.514 19.287 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.859 45.631 17.809 1.00 0.00 N ATOM 0 H GLN A 41 53.836 41.805 19.098 1.00 0.00 H new ATOM 0 HA GLN A 41 53.561 43.160 21.617 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.610 42.322 19.444 1.00 0.00 H new ATOM 0 HB3 GLN A 41 51.091 43.082 20.935 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.366 45.121 20.345 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.898 44.361 18.858 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.763 45.935 17.448 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.000 45.922 17.343 1.00 0.00 H new ATOM 656 N ARG A 42 52.267 41.426 23.015 1.00 0.00 N ATOM 657 CA ARG A 42 51.269 40.649 23.724 1.00 0.00 C ATOM 658 C ARG A 42 50.250 41.590 24.371 1.00 0.00 C ATOM 659 O ARG A 42 50.618 42.690 24.777 1.00 0.00 O ATOM 660 CB ARG A 42 51.886 39.722 24.767 1.00 0.00 C ATOM 661 CG ARG A 42 53.036 38.858 24.258 1.00 0.00 C ATOM 662 CD ARG A 42 53.553 37.872 25.301 1.00 0.00 C ATOM 663 NE ARG A 42 54.133 38.550 26.459 1.00 0.00 N ATOM 664 CZ ARG A 42 53.728 38.486 27.735 1.00 0.00 C ATOM 665 NH1 ARG A 42 52.675 37.757 28.128 1.00 0.00 N ATOM 666 NH2 ARG A 42 54.373 39.171 28.689 1.00 0.00 N ATOM 0 H ARG A 42 52.685 42.159 23.588 1.00 0.00 H new ATOM 0 HA ARG A 42 50.767 40.010 22.998 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.245 40.325 25.601 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.106 39.069 25.159 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.706 38.306 23.378 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.855 39.504 23.941 1.00 0.00 H new ATOM 0 HD2 ARG A 42 52.735 37.230 25.629 1.00 0.00 H new ATOM 0 HD3 ARG A 42 54.303 37.225 24.847 1.00 0.00 H new ATOM 0 HE ARG A 42 54.942 39.142 26.274 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.143 37.219 27.444 1.00 0.00 H new ATOM 0 HH12 ARG A 42 52.405 37.740 29.111 1.00 0.00 H new ATOM 0 HH21 ARG A 42 55.179 39.747 28.447 1.00 0.00 H new ATOM 0 HH22 ARG A 42 54.058 39.116 29.658 1.00 0.00 H new ATOM 680 N LEU A 43 48.995 41.165 24.474 1.00 0.00 N ATOM 681 CA LEU A 43 47.894 41.930 25.024 1.00 0.00 C ATOM 682 C LEU A 43 47.254 41.211 26.213 1.00 0.00 C ATOM 683 O LEU A 43 46.884 40.043 26.113 1.00 0.00 O ATOM 684 CB LEU A 43 46.859 42.227 23.943 1.00 0.00 C ATOM 685 CG LEU A 43 47.351 42.984 22.713 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.176 43.205 21.765 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.944 44.351 23.044 1.00 0.00 C ATOM 0 H LEU A 43 48.711 40.237 24.161 1.00 0.00 H new ATOM 0 HA LEU A 43 48.291 42.877 25.390 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.432 41.281 23.612 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.050 42.801 24.395 1.00 0.00 H new ATOM 0 HG LEU A 43 48.137 42.376 22.265 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.517 43.746 20.882 1.00 0.00 H new ATOM 0 HD12 LEU A 43 45.765 42.241 21.464 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.405 43.786 22.271 1.00 0.00 H new ATOM 0 HD21 LEU A 43 48.274 44.836 22.126 1.00 0.00 H new ATOM 0 HD22 LEU A 43 47.187 44.968 23.529 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.794 44.226 23.715 1.00 0.00 H new ATOM 699 N ILE A 44 47.123 41.919 27.331 1.00 0.00 N ATOM 700 CA ILE A 44 46.681 41.408 28.613 1.00 0.00 C ATOM 701 C ILE A 44 45.563 42.291 29.169 1.00 0.00 C ATOM 702 O ILE A 44 45.722 43.508 29.248 1.00 0.00 O ATOM 703 CB ILE A 44 47.852 41.290 29.584 1.00 0.00 C ATOM 704 CG1 ILE A 44 49.064 40.587 28.977 1.00 0.00 C ATOM 705 CG2 ILE A 44 47.431 40.565 30.859 1.00 0.00 C ATOM 706 CD1 ILE A 44 50.273 40.476 29.900 1.00 0.00 C ATOM 0 H ILE A 44 47.335 42.916 27.363 1.00 0.00 H new ATOM 0 HA ILE A 44 46.279 40.404 28.477 1.00 0.00 H new ATOM 0 HB ILE A 44 48.149 42.312 29.820 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.767 39.584 28.669 1.00 0.00 H new ATOM 0 HG13 ILE A 44 49.362 41.122 28.075 1.00 0.00 H new ATOM 0 HG21 ILE A 44 48.283 40.493 31.535 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.628 41.119 31.345 1.00 0.00 H new ATOM 0 HG23 ILE A 44 47.081 39.563 30.609 1.00 0.00 H new ATOM 0 HD11 ILE A 44 51.082 39.962 29.380 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.603 41.474 30.189 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.999 39.912 30.792 1.00 0.00 H new ATOM 718 N PHE A 45 44.448 41.706 29.594 1.00 0.00 N ATOM 719 CA PHE A 45 43.300 42.385 30.165 1.00 0.00 C ATOM 720 C PHE A 45 42.962 41.834 31.551 1.00 0.00 C ATOM 721 O PHE A 45 42.775 40.628 31.703 1.00 0.00 O ATOM 722 CB PHE A 45 42.114 42.246 29.216 1.00 0.00 C ATOM 723 CG PHE A 45 40.869 42.960 29.684 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.760 44.348 29.535 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.829 42.242 30.286 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.622 45.018 29.999 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.689 42.908 30.755 1.00 0.00 C ATOM 728 CZ PHE A 45 38.594 44.298 30.620 1.00 0.00 C ATOM 0 H PHE A 45 44.318 40.695 29.545 1.00 0.00 H new ATOM 0 HA PHE A 45 43.538 43.441 30.291 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.397 42.634 28.237 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.887 41.188 29.086 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.556 44.903 29.061 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.906 41.170 30.389 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.537 46.088 29.878 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.888 42.352 31.218 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.725 44.817 30.996 1.00 0.00 H new ATOM 738 N ALA A 46 42.867 42.694 32.561 1.00 0.00 N ATOM 739 CA ALA A 46 42.642 42.353 33.951 1.00 0.00 C ATOM 740 C ALA A 46 43.518 41.209 34.467 1.00 0.00 C ATOM 741 O ALA A 46 43.068 40.350 35.221 1.00 0.00 O ATOM 742 CB ALA A 46 41.144 42.197 34.200 1.00 0.00 C ATOM 0 H ALA A 46 42.950 43.700 32.417 1.00 0.00 H new ATOM 0 HA ALA A 46 42.984 43.182 34.571 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.974 41.940 35.246 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.637 43.134 33.969 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.750 41.405 33.563 1.00 0.00 H new ATOM 748 N GLY A 47 44.771 41.168 34.024 1.00 0.00 N ATOM 749 CA GLY A 47 45.766 40.170 34.361 1.00 0.00 C ATOM 750 C GLY A 47 45.811 38.917 33.485 1.00 0.00 C ATOM 751 O GLY A 47 46.678 38.076 33.710 1.00 0.00 O ATOM 0 H GLY A 47 45.134 41.874 33.384 1.00 0.00 H new ATOM 0 HA2 GLY A 47 46.747 40.644 34.327 1.00 0.00 H new ATOM 0 HA3 GLY A 47 45.598 39.858 35.392 1.00 0.00 H new ATOM 755 N LYS A 48 44.934 38.766 32.495 1.00 0.00 N ATOM 756 CA LYS A 48 44.835 37.599 31.642 1.00 0.00 C ATOM 757 C LYS A 48 45.247 37.883 30.196 1.00 0.00 C ATOM 758 O LYS A 48 44.766 38.841 29.596 1.00 0.00 O ATOM 759 CB LYS A 48 43.413 37.047 31.687 1.00 0.00 C ATOM 760 CG LYS A 48 42.917 36.629 33.068 1.00 0.00 C ATOM 761 CD LYS A 48 43.824 35.583 33.710 1.00 0.00 C ATOM 762 CE LYS A 48 43.227 34.962 34.970 1.00 0.00 C ATOM 763 NZ LYS A 48 44.207 34.068 35.605 1.00 0.00 N ATOM 0 H LYS A 48 44.249 39.485 32.262 1.00 0.00 H new ATOM 0 HA LYS A 48 45.535 36.858 32.027 1.00 0.00 H new ATOM 0 HB2 LYS A 48 42.735 37.803 31.289 1.00 0.00 H new ATOM 0 HB3 LYS A 48 43.355 36.185 31.022 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.861 37.505 33.714 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.906 36.230 32.984 1.00 0.00 H new ATOM 0 HD2 LYS A 48 44.028 34.794 32.986 1.00 0.00 H new ATOM 0 HD3 LYS A 48 44.780 36.044 33.958 1.00 0.00 H new ATOM 0 HE2 LYS A 48 42.933 35.746 35.667 1.00 0.00 H new ATOM 0 HE3 LYS A 48 42.325 34.405 34.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 43.791 33.650 36.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 44.467 33.311 34.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 45.057 34.610 35.861 1.00 0.00 H new ATOM 777 N GLN A 49 46.109 37.052 29.617 1.00 0.00 N ATOM 778 CA GLN A 49 46.533 37.201 28.238 1.00 0.00 C ATOM 779 C GLN A 49 45.428 36.802 27.257 1.00 0.00 C ATOM 780 O GLN A 49 44.882 35.704 27.340 1.00 0.00 O ATOM 781 CB GLN A 49 47.827 36.437 27.976 1.00 0.00 C ATOM 782 CG GLN A 49 48.350 36.729 26.573 1.00 0.00 C ATOM 783 CD GLN A 49 49.672 36.018 26.273 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.673 36.203 26.960 1.00 0.00 O ATOM 785 NE2 GLN A 49 49.735 35.192 25.232 1.00 0.00 N ATOM 0 H GLN A 49 46.531 36.256 30.096 1.00 0.00 H new ATOM 0 HA GLN A 49 46.736 38.259 28.069 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.577 36.718 28.715 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.653 35.367 28.089 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.603 36.422 25.841 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.487 37.804 26.458 1.00 0.00 H new ATOM 0 HE21 GLN A 49 48.908 35.033 24.656 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.610 34.718 25.009 1.00 0.00 H new ATOM 794 N LEU A 50 45.142 37.673 26.293 1.00 0.00 N ATOM 795 CA LEU A 50 44.087 37.500 25.315 1.00 0.00 C ATOM 796 C LEU A 50 44.471 36.552 24.177 1.00 0.00 C ATOM 797 O LEU A 50 45.608 36.563 23.710 1.00 0.00 O ATOM 798 CB LEU A 50 43.697 38.864 24.754 1.00 0.00 C ATOM 799 CG LEU A 50 43.250 39.918 25.763 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.911 41.220 25.043 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.012 39.459 26.527 1.00 0.00 C ATOM 0 H LEU A 50 45.658 38.544 26.173 1.00 0.00 H new ATOM 0 HA LEU A 50 43.241 37.039 25.825 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.549 39.261 24.202 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.891 38.718 24.035 1.00 0.00 H new ATOM 0 HG LEU A 50 44.071 40.071 26.464 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.593 41.966 25.771 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.792 41.583 24.513 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.106 41.043 24.330 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.717 40.230 27.239 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.197 39.281 25.826 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.237 38.537 27.064 1.00 0.00 H new ATOM 813 N GLU A 51 43.520 35.757 23.693 1.00 0.00 N ATOM 814 CA GLU A 51 43.651 34.855 22.567 1.00 0.00 C ATOM 815 C GLU A 51 43.280 35.511 21.234 1.00 0.00 C ATOM 816 O GLU A 51 42.429 36.396 21.178 1.00 0.00 O ATOM 817 CB GLU A 51 42.800 33.610 22.799 1.00 0.00 C ATOM 818 CG GLU A 51 43.373 32.710 23.889 1.00 0.00 C ATOM 819 CD GLU A 51 42.391 31.608 24.293 1.00 0.00 C ATOM 820 OE1 GLU A 51 41.590 31.145 23.453 1.00 0.00 O ATOM 821 OE2 GLU A 51 42.394 31.202 25.476 1.00 0.00 O ATOM 0 H GLU A 51 42.587 35.728 24.104 1.00 0.00 H new ATOM 0 HA GLU A 51 44.703 34.577 22.498 1.00 0.00 H new ATOM 0 HB2 GLU A 51 41.789 33.910 23.074 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.724 33.047 21.869 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.301 32.259 23.537 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.623 33.312 24.763 1.00 0.00 H new ATOM 828 N ASP A 52 43.885 35.052 20.143 1.00 0.00 N ATOM 829 CA ASP A 52 43.918 35.749 18.872 1.00 0.00 C ATOM 830 C ASP A 52 42.624 35.660 18.063 1.00 0.00 C ATOM 831 O ASP A 52 42.183 36.655 17.490 1.00 0.00 O ATOM 832 CB ASP A 52 45.080 35.216 18.038 1.00 0.00 C ATOM 833 CG ASP A 52 46.462 35.656 18.526 1.00 0.00 C ATOM 834 OD1 ASP A 52 46.611 36.787 19.035 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.411 34.850 18.413 1.00 0.00 O ATOM 0 H ASP A 52 44.378 34.159 20.123 1.00 0.00 H new ATOM 0 HA ASP A 52 44.046 36.805 19.109 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.039 34.127 18.034 1.00 0.00 H new ATOM 0 HB3 ASP A 52 44.951 35.543 17.006 1.00 0.00 H new ATOM 840 N GLY A 53 42.015 34.481 17.984 1.00 0.00 N ATOM 841 CA GLY A 53 40.858 34.233 17.147 1.00 0.00 C ATOM 842 C GLY A 53 39.557 34.876 17.632 1.00 0.00 C ATOM 843 O GLY A 53 38.613 34.988 16.854 1.00 0.00 O ATOM 0 H GLY A 53 42.320 33.662 18.510 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.072 34.596 16.142 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.707 33.156 17.072 1.00 0.00 H new ATOM 847 N ARG A 54 39.499 35.281 18.899 1.00 0.00 N ATOM 848 CA ARG A 54 38.312 35.752 19.583 1.00 0.00 C ATOM 849 C ARG A 54 38.054 37.243 19.364 1.00 0.00 C ATOM 850 O ARG A 54 38.902 37.963 18.838 1.00 0.00 O ATOM 851 CB ARG A 54 38.403 35.361 21.055 1.00 0.00 C ATOM 852 CG ARG A 54 37.583 34.124 21.409 1.00 0.00 C ATOM 853 CD ARG A 54 37.914 32.867 20.610 1.00 0.00 C ATOM 854 NE ARG A 54 39.212 32.294 20.971 1.00 0.00 N ATOM 855 CZ ARG A 54 39.999 31.526 20.205 1.00 0.00 C ATOM 856 NH1 ARG A 54 39.703 31.228 18.933 1.00 0.00 N ATOM 857 NH2 ARG A 54 41.130 31.022 20.716 1.00 0.00 N ATOM 0 H ARG A 54 40.323 35.287 19.500 1.00 0.00 H new ATOM 0 HA ARG A 54 37.436 35.266 19.152 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.447 35.180 21.311 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.065 36.198 21.666 1.00 0.00 H new ATOM 0 HG2 ARG A 54 37.723 33.908 22.468 1.00 0.00 H new ATOM 0 HG3 ARG A 54 36.527 34.356 21.267 1.00 0.00 H new ATOM 0 HD2 ARG A 54 37.135 32.122 20.773 1.00 0.00 H new ATOM 0 HD3 ARG A 54 37.910 33.106 19.546 1.00 0.00 H new ATOM 0 HE ARG A 54 39.555 32.502 21.909 1.00 0.00 H new ATOM 0 HH11 ARG A 54 38.848 31.590 18.510 1.00 0.00 H new ATOM 0 HH12 ARG A 54 40.332 30.639 18.387 1.00 0.00 H new ATOM 0 HH21 ARG A 54 41.387 31.224 21.682 1.00 0.00 H new ATOM 0 HH22 ARG A 54 41.734 30.437 20.139 1.00 0.00 H new ATOM 871 N THR A 55 36.868 37.696 19.758 1.00 0.00 N ATOM 872 CA THR A 55 36.409 39.067 19.648 1.00 0.00 C ATOM 873 C THR A 55 36.351 39.797 20.991 1.00 0.00 C ATOM 874 O THR A 55 36.402 39.180 22.053 1.00 0.00 O ATOM 875 CB THR A 55 35.058 39.175 18.946 1.00 0.00 C ATOM 876 OG1 THR A 55 34.042 38.642 19.766 1.00 0.00 O ATOM 877 CG2 THR A 55 34.999 38.460 17.600 1.00 0.00 C ATOM 0 H THR A 55 36.171 37.084 20.182 1.00 0.00 H new ATOM 0 HA THR A 55 37.162 39.561 19.034 1.00 0.00 H new ATOM 0 HB THR A 55 34.912 40.239 18.762 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.996 37.671 19.640 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.007 38.584 17.166 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.745 38.886 16.929 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.203 37.399 17.742 1.00 0.00 H new ATOM 885 N LEU A 56 36.195 41.117 20.936 1.00 0.00 N ATOM 886 CA LEU A 56 36.048 41.986 22.086 1.00 0.00 C ATOM 887 C LEU A 56 34.929 41.530 23.024 1.00 0.00 C ATOM 888 O LEU A 56 35.120 41.473 24.237 1.00 0.00 O ATOM 889 CB LEU A 56 35.785 43.393 21.557 1.00 0.00 C ATOM 890 CG LEU A 56 35.932 44.493 22.604 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.397 44.809 22.891 1.00 0.00 C ATOM 892 CD2 LEU A 56 35.265 45.771 22.103 1.00 0.00 C ATOM 0 H LEU A 56 36.167 41.624 20.052 1.00 0.00 H new ATOM 0 HA LEU A 56 36.959 41.959 22.684 1.00 0.00 H new ATOM 0 HB2 LEU A 56 36.473 43.595 20.736 1.00 0.00 H new ATOM 0 HB3 LEU A 56 34.777 43.431 21.145 1.00 0.00 H new ATOM 0 HG LEU A 56 35.460 44.135 23.519 1.00 0.00 H new ATOM 0 HD11 LEU A 56 37.459 45.597 23.641 1.00 0.00 H new ATOM 0 HD12 LEU A 56 37.896 43.914 23.262 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.884 45.142 21.974 1.00 0.00 H new ATOM 0 HD21 LEU A 56 35.371 46.555 22.853 1.00 0.00 H new ATOM 0 HD22 LEU A 56 35.740 46.089 21.175 1.00 0.00 H new ATOM 0 HD23 LEU A 56 34.207 45.583 21.923 1.00 0.00 H new ATOM 904 N SER A 57 33.780 41.153 22.470 1.00 0.00 N ATOM 905 CA SER A 57 32.654 40.615 23.208 1.00 0.00 C ATOM 906 C SER A 57 32.891 39.211 23.771 1.00 0.00 C ATOM 907 O SER A 57 32.402 38.917 24.859 1.00 0.00 O ATOM 908 CB SER A 57 31.382 40.621 22.366 1.00 0.00 C ATOM 909 OG SER A 57 31.543 39.902 21.164 1.00 0.00 O ATOM 0 H SER A 57 33.607 41.217 21.467 1.00 0.00 H new ATOM 0 HA SER A 57 32.534 41.282 24.062 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.564 40.188 22.941 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.102 41.650 22.139 1.00 0.00 H new ATOM 0 HG SER A 57 31.979 40.473 20.497 1.00 0.00 H new ATOM 915 N ASP A 58 33.684 38.366 23.118 1.00 0.00 N ATOM 916 CA ASP A 58 34.080 37.085 23.667 1.00 0.00 C ATOM 917 C ASP A 58 34.953 37.215 24.917 1.00 0.00 C ATOM 918 O ASP A 58 35.042 36.273 25.701 1.00 0.00 O ATOM 919 CB ASP A 58 34.816 36.236 22.635 1.00 0.00 C ATOM 920 CG ASP A 58 33.981 35.953 21.385 1.00 0.00 C ATOM 921 OD1 ASP A 58 32.791 35.591 21.502 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.526 36.085 20.267 1.00 0.00 O ATOM 0 H ASP A 58 34.068 38.556 22.192 1.00 0.00 H new ATOM 0 HA ASP A 58 33.150 36.593 23.951 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.735 36.745 22.343 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.107 35.290 23.092 1.00 0.00 H new ATOM 927 N TYR A 59 35.564 38.381 25.116 1.00 0.00 N ATOM 928 CA TYR A 59 36.290 38.770 26.308 1.00 0.00 C ATOM 929 C TYR A 59 35.537 39.729 27.231 1.00 0.00 C ATOM 930 O TYR A 59 36.062 40.060 28.291 1.00 0.00 O ATOM 931 CB TYR A 59 37.673 39.272 25.902 1.00 0.00 C ATOM 932 CG TYR A 59 38.660 38.138 25.764 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.169 37.563 26.935 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.031 37.637 24.511 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.062 36.487 26.861 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.936 36.573 24.423 1.00 0.00 C ATOM 937 CZ TYR A 59 40.451 35.993 25.600 1.00 0.00 C ATOM 938 OH TYR A 59 41.357 34.975 25.537 1.00 0.00 O ATOM 0 H TYR A 59 35.562 39.115 24.407 1.00 0.00 H new ATOM 0 HA TYR A 59 36.403 37.884 26.933 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.602 39.810 24.957 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.035 39.982 26.646 1.00 0.00 H new ATOM 0 HD1 TYR A 59 38.872 37.951 27.898 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.619 38.071 23.612 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.450 36.039 27.764 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.239 36.198 23.457 1.00 0.00 H new ATOM 0 HH TYR A 59 40.953 34.205 25.086 1.00 0.00 H new ATOM 948 N ASN A 60 34.304 40.110 26.905 1.00 0.00 N ATOM 949 CA ASN A 60 33.428 40.921 27.726 1.00 0.00 C ATOM 950 C ASN A 60 33.941 42.329 28.033 1.00 0.00 C ATOM 951 O ASN A 60 33.630 42.893 29.079 1.00 0.00 O ATOM 952 CB ASN A 60 32.978 40.131 28.952 1.00 0.00 C ATOM 953 CG ASN A 60 32.530 38.706 28.623 1.00 0.00 C ATOM 954 OD1 ASN A 60 33.195 37.724 28.951 1.00 0.00 O ATOM 955 ND2 ASN A 60 31.403 38.536 27.937 1.00 0.00 N ATOM 0 H ASN A 60 33.875 39.846 26.018 1.00 0.00 H new ATOM 0 HA ASN A 60 32.543 41.136 27.126 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.797 40.090 29.670 1.00 0.00 H new ATOM 0 HB3 ASN A 60 32.157 40.660 29.435 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.095 37.596 27.686 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.847 39.345 27.662 1.00 0.00 H new ATOM 962 N ILE A 61 34.725 42.922 27.137 1.00 0.00 N ATOM 963 CA ILE A 61 35.346 44.216 27.331 1.00 0.00 C ATOM 964 C ILE A 61 34.390 45.344 26.934 1.00 0.00 C ATOM 965 O ILE A 61 33.816 45.324 25.847 1.00 0.00 O ATOM 966 CB ILE A 61 36.687 44.288 26.608 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.593 43.131 27.019 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.363 45.635 26.851 1.00 0.00 C ATOM 969 CD1 ILE A 61 38.993 43.122 26.412 1.00 0.00 C ATOM 0 H ILE A 61 34.948 42.500 26.235 1.00 0.00 H new ATOM 0 HA ILE A 61 35.559 44.350 28.392 1.00 0.00 H new ATOM 0 HB ILE A 61 36.500 44.197 25.538 1.00 0.00 H new ATOM 0 HG12 ILE A 61 37.691 43.141 28.105 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.098 42.197 26.752 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.318 45.663 26.326 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.722 46.436 26.482 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.533 45.769 27.919 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.542 42.254 26.777 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.918 43.073 25.326 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.520 44.032 26.699 1.00 0.00 H new ATOM 981 N GLN A 62 34.230 46.333 27.808 1.00 0.00 N ATOM 982 CA GLN A 62 33.311 47.444 27.669 1.00 0.00 C ATOM 983 C GLN A 62 34.010 48.801 27.558 1.00 0.00 C ATOM 984 O GLN A 62 35.207 48.930 27.810 1.00 0.00 O ATOM 985 CB GLN A 62 32.315 47.408 28.825 1.00 0.00 C ATOM 986 CG GLN A 62 31.410 46.181 28.884 1.00 0.00 C ATOM 987 CD GLN A 62 30.420 46.039 27.725 1.00 0.00 C ATOM 988 OE1 GLN A 62 30.323 46.865 26.820 1.00 0.00 O ATOM 989 NE2 GLN A 62 29.617 44.980 27.704 1.00 0.00 N ATOM 0 H GLN A 62 34.767 46.378 28.674 1.00 0.00 H new ATOM 0 HA GLN A 62 32.780 47.328 26.724 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.871 47.472 29.761 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.687 48.297 28.766 1.00 0.00 H new ATOM 0 HG2 GLN A 62 32.037 45.290 28.916 1.00 0.00 H new ATOM 0 HG3 GLN A 62 30.848 46.209 29.818 1.00 0.00 H new ATOM 0 HE21 GLN A 62 29.677 44.280 28.443 1.00 0.00 H new ATOM 0 HE22 GLN A 62 28.941 44.868 26.949 1.00 0.00 H new ATOM 998 N LYS A 63 33.270 49.830 27.158 1.00 0.00 N ATOM 999 CA LYS A 63 33.718 51.174 26.853 1.00 0.00 C ATOM 1000 C LYS A 63 34.603 51.818 27.922 1.00 0.00 C ATOM 1001 O LYS A 63 34.394 51.642 29.121 1.00 0.00 O ATOM 1002 CB LYS A 63 32.481 52.015 26.556 1.00 0.00 C ATOM 1003 CG LYS A 63 32.732 53.489 26.246 1.00 0.00 C ATOM 1004 CD LYS A 63 31.438 54.170 25.808 1.00 0.00 C ATOM 1005 CE LYS A 63 31.643 55.656 25.525 1.00 0.00 C ATOM 1006 NZ LYS A 63 31.567 56.486 26.737 1.00 0.00 N ATOM 0 H LYS A 63 32.263 49.732 27.030 1.00 0.00 H new ATOM 0 HA LYS A 63 34.376 51.119 25.986 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.958 51.570 25.709 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.810 51.954 27.413 1.00 0.00 H new ATOM 0 HG2 LYS A 63 33.133 53.989 27.128 1.00 0.00 H new ATOM 0 HG3 LYS A 63 33.482 53.579 25.460 1.00 0.00 H new ATOM 0 HD2 LYS A 63 31.055 53.680 24.913 1.00 0.00 H new ATOM 0 HD3 LYS A 63 30.683 54.049 26.585 1.00 0.00 H new ATOM 0 HE2 LYS A 63 32.615 55.800 25.053 1.00 0.00 H new ATOM 0 HE3 LYS A 63 30.889 55.992 24.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 31.407 57.478 26.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 30.781 56.158 27.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 32.459 56.410 27.266 1.00 0.00 H new ATOM 1020 N GLU A 64 35.591 52.584 27.467 1.00 0.00 N ATOM 1021 CA GLU A 64 36.576 53.330 28.222 1.00 0.00 C ATOM 1022 C GLU A 64 37.499 52.527 29.141 1.00 0.00 C ATOM 1023 O GLU A 64 38.446 53.098 29.676 1.00 0.00 O ATOM 1024 CB GLU A 64 35.941 54.530 28.917 1.00 0.00 C ATOM 1025 CG GLU A 64 35.554 55.645 27.951 1.00 0.00 C ATOM 1026 CD GLU A 64 34.638 56.663 28.634 1.00 0.00 C ATOM 1027 OE1 GLU A 64 35.119 57.718 29.102 1.00 0.00 O ATOM 1028 OE2 GLU A 64 33.420 56.400 28.737 1.00 0.00 O ATOM 0 H GLU A 64 35.729 52.705 26.464 1.00 0.00 H new ATOM 0 HA GLU A 64 37.274 53.688 27.465 1.00 0.00 H new ATOM 0 HB2 GLU A 64 35.053 54.201 29.458 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.637 54.924 29.657 1.00 0.00 H new ATOM 0 HG2 GLU A 64 36.452 56.144 27.586 1.00 0.00 H new ATOM 0 HG3 GLU A 64 35.050 55.221 27.082 1.00 0.00 H new ATOM 1035 N SER A 65 37.303 51.218 29.279 1.00 0.00 N ATOM 1036 CA SER A 65 38.244 50.333 29.935 1.00 0.00 C ATOM 1037 C SER A 65 39.526 50.147 29.121 1.00 0.00 C ATOM 1038 O SER A 65 39.555 50.473 27.936 1.00 0.00 O ATOM 1039 CB SER A 65 37.587 49.006 30.304 1.00 0.00 C ATOM 1040 OG SER A 65 37.348 48.180 29.186 1.00 0.00 O ATOM 0 H SER A 65 36.471 50.741 28.931 1.00 0.00 H new ATOM 0 HA SER A 65 38.548 50.810 30.867 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.225 48.475 31.011 1.00 0.00 H new ATOM 0 HB3 SER A 65 36.643 49.203 30.812 1.00 0.00 H new ATOM 0 HG SER A 65 36.775 48.652 28.547 1.00 0.00 H new ATOM 1046 N THR A 66 40.594 49.653 29.740 1.00 0.00 N ATOM 1047 CA THR A 66 41.915 49.616 29.145 1.00 0.00 C ATOM 1048 C THR A 66 42.512 48.211 29.037 1.00 0.00 C ATOM 1049 O THR A 66 42.276 47.350 29.881 1.00 0.00 O ATOM 1050 CB THR A 66 42.858 50.590 29.844 1.00 0.00 C ATOM 1051 OG1 THR A 66 43.922 50.924 28.982 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.472 50.066 31.140 1.00 0.00 C ATOM 0 H THR A 66 40.560 49.263 30.682 1.00 0.00 H new ATOM 0 HA THR A 66 41.790 49.944 28.113 1.00 0.00 H new ATOM 0 HB THR A 66 42.237 51.449 30.099 1.00 0.00 H new ATOM 0 HG1 THR A 66 44.434 51.666 29.367 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.127 50.826 31.565 1.00 0.00 H new ATOM 0 HG22 THR A 66 42.679 49.832 31.850 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.049 49.165 30.931 1.00 0.00 H new ATOM 1060 N LEU A 67 43.331 47.995 28.011 1.00 0.00 N ATOM 1061 CA LEU A 67 44.158 46.822 27.815 1.00 0.00 C ATOM 1062 C LEU A 67 45.620 47.156 28.123 1.00 0.00 C ATOM 1063 O LEU A 67 46.045 48.301 27.992 1.00 0.00 O ATOM 1064 CB LEU A 67 44.006 46.299 26.390 1.00 0.00 C ATOM 1065 CG LEU A 67 42.736 45.518 26.067 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.457 46.339 26.198 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.820 45.013 24.629 1.00 0.00 C ATOM 0 H LEU A 67 43.436 48.674 27.257 1.00 0.00 H new ATOM 0 HA LEU A 67 43.833 46.038 28.499 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.062 47.149 25.710 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.861 45.659 26.172 1.00 0.00 H new ATOM 0 HG LEU A 67 42.681 44.707 26.793 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.598 45.715 25.952 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.361 46.702 27.221 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.497 47.187 25.514 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.917 44.453 24.387 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.914 45.861 23.951 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.689 44.364 24.521 1.00 0.00 H new ATOM 1079 N HIS A 68 46.423 46.164 28.497 1.00 0.00 N ATOM 1080 CA HIS A 68 47.845 46.323 28.727 1.00 0.00 C ATOM 1081 C HIS A 68 48.612 45.711 27.553 1.00 0.00 C ATOM 1082 O HIS A 68 48.482 44.512 27.313 1.00 0.00 O ATOM 1083 CB HIS A 68 48.239 45.705 30.065 1.00 0.00 C ATOM 1084 CG HIS A 68 47.635 46.382 31.266 1.00 0.00 C ATOM 1085 ND1 HIS A 68 48.343 47.084 32.240 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.306 46.382 31.602 1.00 0.00 C ATOM 1087 CE1 HIS A 68 47.438 47.502 33.129 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.206 47.101 32.777 1.00 0.00 N ATOM 0 H HIS A 68 46.092 45.211 28.650 1.00 0.00 H new ATOM 0 HA HIS A 68 48.101 47.381 28.784 1.00 0.00 H new ATOM 0 HB2 HIS A 68 47.943 44.656 30.068 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.325 45.730 30.157 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.499 45.914 31.057 1.00 0.00 H new ATOM 0 HE1 HIS A 68 47.666 48.083 34.010 1.00 0.00 H new ATOM 0 HE2 HIS A 68 45.345 47.294 33.289 1.00 0.00 H new ATOM 1096 N LEU A 69 49.408 46.505 26.844 1.00 0.00 N ATOM 1097 CA LEU A 69 50.318 46.028 25.822 1.00 0.00 C ATOM 1098 C LEU A 69 51.710 45.803 26.417 1.00 0.00 C ATOM 1099 O LEU A 69 52.233 46.662 27.123 1.00 0.00 O ATOM 1100 CB LEU A 69 50.279 46.912 24.579 1.00 0.00 C ATOM 1101 CG LEU A 69 51.112 48.190 24.572 1.00 0.00 C ATOM 1102 CD1 LEU A 69 52.537 47.955 24.077 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.510 49.214 23.615 1.00 0.00 C ATOM 0 H LEU A 69 49.435 47.517 26.970 1.00 0.00 H new ATOM 0 HA LEU A 69 49.990 45.052 25.464 1.00 0.00 H new ATOM 0 HB2 LEU A 69 50.594 46.305 23.730 1.00 0.00 H new ATOM 0 HB3 LEU A 69 49.240 47.192 24.403 1.00 0.00 H new ATOM 0 HG LEU A 69 51.120 48.539 25.604 1.00 0.00 H new ATOM 0 HD11 LEU A 69 53.087 48.896 24.092 1.00 0.00 H new ATOM 0 HD12 LEU A 69 53.034 47.234 24.727 1.00 0.00 H new ATOM 0 HD13 LEU A 69 52.509 47.567 23.059 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.117 50.120 23.622 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.488 48.800 22.607 1.00 0.00 H new ATOM 0 HD23 LEU A 69 49.495 49.455 23.931 1.00 0.00 H new ATOM 1115 N VAL A 70 52.317 44.656 26.127 1.00 0.00 N ATOM 1116 CA VAL A 70 53.630 44.270 26.605 1.00 0.00 C ATOM 1117 C VAL A 70 54.457 43.610 25.500 1.00 0.00 C ATOM 1118 O VAL A 70 53.950 43.291 24.427 1.00 0.00 O ATOM 1119 CB VAL A 70 53.560 43.414 27.866 1.00 0.00 C ATOM 1120 CG1 VAL A 70 52.850 44.104 29.027 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.892 42.062 27.637 1.00 0.00 C ATOM 0 H VAL A 70 51.888 43.948 25.531 1.00 0.00 H new ATOM 0 HA VAL A 70 54.148 45.186 26.889 1.00 0.00 H new ATOM 0 HB VAL A 70 54.606 43.259 28.129 1.00 0.00 H new ATOM 0 HG11 VAL A 70 52.836 43.440 29.891 1.00 0.00 H new ATOM 0 HG12 VAL A 70 53.379 45.022 29.283 1.00 0.00 H new ATOM 0 HG13 VAL A 70 51.827 44.344 28.737 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.874 41.502 28.572 1.00 0.00 H new ATOM 0 HG22 VAL A 70 51.872 42.215 27.286 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.453 41.501 26.889 1.00 0.00 H new ATOM 1131 N LEU A 71 55.751 43.440 25.756 1.00 0.00 N ATOM 1132 CA LEU A 71 56.693 42.790 24.867 1.00 0.00 C ATOM 1133 C LEU A 71 56.512 41.273 24.785 1.00 0.00 C ATOM 1134 O LEU A 71 55.916 40.640 25.654 1.00 0.00 O ATOM 1135 CB LEU A 71 58.112 43.155 25.294 1.00 0.00 C ATOM 1136 CG LEU A 71 58.829 44.222 24.472 1.00 0.00 C ATOM 1137 CD1 LEU A 71 59.054 43.775 23.030 1.00 0.00 C ATOM 1138 CD2 LEU A 71 58.112 45.568 24.501 1.00 0.00 C ATOM 0 H LEU A 71 56.182 43.765 26.621 1.00 0.00 H new ATOM 0 HA LEU A 71 56.499 43.155 23.858 1.00 0.00 H new ATOM 0 HB2 LEU A 71 58.078 43.491 26.330 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.716 42.248 25.273 1.00 0.00 H new ATOM 0 HG LEU A 71 59.801 44.357 24.947 1.00 0.00 H new ATOM 0 HD11 LEU A 71 59.567 44.564 22.480 1.00 0.00 H new ATOM 0 HD12 LEU A 71 59.663 42.871 23.020 1.00 0.00 H new ATOM 0 HD13 LEU A 71 58.093 43.570 22.558 1.00 0.00 H new ATOM 0 HD21 LEU A 71 58.666 46.289 23.900 1.00 0.00 H new ATOM 0 HD22 LEU A 71 57.107 45.454 24.095 1.00 0.00 H new ATOM 0 HD23 LEU A 71 58.050 45.925 25.529 1.00 0.00 H new ATOM 1150 N ARG A 72 57.102 40.683 23.749 1.00 0.00 N ATOM 1151 CA ARG A 72 57.456 39.280 23.674 1.00 0.00 C ATOM 1152 C ARG A 72 58.902 39.047 24.116 1.00 0.00 C ATOM 1153 O ARG A 72 59.724 39.957 24.056 1.00 0.00 O ATOM 1154 CB ARG A 72 57.226 38.750 22.261 1.00 0.00 C ATOM 1155 CG ARG A 72 55.740 38.650 21.934 1.00 0.00 C ATOM 1156 CD ARG A 72 55.496 38.060 20.548 1.00 0.00 C ATOM 1157 NE ARG A 72 54.077 38.144 20.202 1.00 0.00 N ATOM 1158 CZ ARG A 72 53.386 37.358 19.365 1.00 0.00 C ATOM 1159 NH1 ARG A 72 53.982 36.457 18.572 1.00 0.00 N ATOM 1160 NH2 ARG A 72 52.051 37.474 19.334 1.00 0.00 N ATOM 0 H ARG A 72 57.355 41.197 22.905 1.00 0.00 H new ATOM 0 HA ARG A 72 56.811 38.730 24.360 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.714 39.407 21.541 1.00 0.00 H new ATOM 0 HB3 ARG A 72 57.688 37.768 22.160 1.00 0.00 H new ATOM 0 HG2 ARG A 72 55.245 38.032 22.683 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.289 39.641 21.990 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.090 38.596 19.808 1.00 0.00 H new ATOM 0 HD3 ARG A 72 55.822 37.020 20.526 1.00 0.00 H new ATOM 0 HE ARG A 72 53.549 38.892 20.653 1.00 0.00 H new ATOM 0 HH11 ARG A 72 54.996 36.351 18.592 1.00 0.00 H new ATOM 0 HH12 ARG A 72 53.421 35.877 17.948 1.00 0.00 H new ATOM 0 HH21 ARG A 72 51.584 38.149 19.939 1.00 0.00 H new ATOM 0 HH22 ARG A 72 51.503 36.887 18.705 1.00 0.00 H new ATOM 1174 N LEU A 73 59.222 37.812 24.491 1.00 0.00 N ATOM 1175 CA LEU A 73 60.576 37.372 24.757 1.00 0.00 C ATOM 1176 C LEU A 73 61.494 37.746 23.591 1.00 0.00 C ATOM 1177 O LEU A 73 61.142 37.538 22.432 1.00 0.00 O ATOM 1178 CB LEU A 73 60.646 35.860 24.960 1.00 0.00 C ATOM 1179 CG LEU A 73 59.923 35.284 26.173 1.00 0.00 C ATOM 1180 CD1 LEU A 73 60.224 33.790 26.256 1.00 0.00 C ATOM 1181 CD2 LEU A 73 60.352 35.929 27.488 1.00 0.00 C ATOM 0 H LEU A 73 58.527 37.077 24.620 1.00 0.00 H new ATOM 0 HA LEU A 73 60.901 37.869 25.671 1.00 0.00 H new ATOM 0 HB2 LEU A 73 60.243 35.381 24.068 1.00 0.00 H new ATOM 0 HB3 LEU A 73 61.696 35.577 25.027 1.00 0.00 H new ATOM 0 HG LEU A 73 58.860 35.483 26.038 1.00 0.00 H new ATOM 0 HD11 LEU A 73 59.713 33.363 27.119 1.00 0.00 H new ATOM 0 HD12 LEU A 73 59.875 33.298 25.348 1.00 0.00 H new ATOM 0 HD13 LEU A 73 61.299 33.641 26.360 1.00 0.00 H new ATOM 0 HD21 LEU A 73 59.801 35.476 28.312 1.00 0.00 H new ATOM 0 HD22 LEU A 73 61.421 35.775 27.637 1.00 0.00 H new ATOM 0 HD23 LEU A 73 60.141 36.998 27.455 1.00 0.00 H new ATOM 1193 N ARG A 74 62.663 38.302 23.897 1.00 0.00 N ATOM 1194 CA ARG A 74 63.676 38.740 22.959 1.00 0.00 C ATOM 1195 C ARG A 74 63.211 39.779 21.936 1.00 0.00 C ATOM 1196 O ARG A 74 63.947 40.070 20.995 1.00 0.00 O ATOM 1197 CB ARG A 74 64.339 37.534 22.298 1.00 0.00 C ATOM 1198 CG ARG A 74 64.724 36.396 23.239 1.00 0.00 C ATOM 1199 CD ARG A 74 65.344 35.242 22.458 1.00 0.00 C ATOM 1200 NE ARG A 74 65.564 34.066 23.300 1.00 0.00 N ATOM 1201 CZ ARG A 74 64.765 33.000 23.445 1.00 0.00 C ATOM 1202 NH1 ARG A 74 63.539 32.912 22.911 1.00 0.00 N ATOM 1203 NH2 ARG A 74 65.192 31.937 24.138 1.00 0.00 N ATOM 0 H ARG A 74 62.939 38.466 24.865 1.00 0.00 H new ATOM 0 HA ARG A 74 64.417 39.278 23.550 1.00 0.00 H new ATOM 0 HB2 ARG A 74 63.663 37.141 21.539 1.00 0.00 H new ATOM 0 HB3 ARG A 74 65.236 37.873 21.781 1.00 0.00 H new ATOM 0 HG2 ARG A 74 65.430 36.758 23.986 1.00 0.00 H new ATOM 0 HG3 ARG A 74 63.842 36.047 23.776 1.00 0.00 H new ATOM 0 HD2 ARG A 74 64.692 34.975 21.626 1.00 0.00 H new ATOM 0 HD3 ARG A 74 66.293 35.563 22.029 1.00 0.00 H new ATOM 0 HE ARG A 74 66.429 34.056 23.841 1.00 0.00 H new ATOM 0 HH11 ARG A 74 63.167 33.684 22.358 1.00 0.00 H new ATOM 0 HH12 ARG A 74 62.978 32.073 23.057 1.00 0.00 H new ATOM 0 HH21 ARG A 74 66.123 31.940 24.554 1.00 0.00 H new ATOM 0 HH22 ARG A 74 64.586 31.124 24.250 1.00 0.00 H new ATOM 1217 N GLY A 75 62.018 40.350 22.073 1.00 0.00 N ATOM 1218 CA GLY A 75 61.371 41.163 21.063 1.00 0.00 C ATOM 1219 C GLY A 75 61.781 42.636 21.002 1.00 0.00 C ATOM 1220 O GLY A 75 61.397 43.311 20.050 1.00 0.00 O ATOM 0 H GLY A 75 61.461 40.253 22.922 1.00 0.00 H new ATOM 0 HA2 GLY A 75 61.566 40.715 20.089 1.00 0.00 H new ATOM 0 HA3 GLY A 75 60.294 41.116 21.226 1.00 0.00 H new ATOM 1224 N GLY A 76 62.539 43.149 21.968 1.00 0.00 N ATOM 1225 CA GLY A 76 62.929 44.542 22.037 1.00 0.00 C ATOM 1226 C GLY A 76 63.914 44.870 23.162 1.00 0.00 C ATOM 1227 O GLY A 76 63.665 44.482 24.324 1.00 0.00 O ATOM 1228 OXT GLY A 76 64.919 45.553 22.868 1.00 0.00 O ATOM 0 H GLY A 76 62.904 42.589 22.739 1.00 0.00 H new ATOM 0 HA2 GLY A 76 63.376 44.829 21.085 1.00 0.00 H new ATOM 0 HA3 GLY A 76 62.034 45.151 22.166 1.00 0.00 H new TER 1232 GLY A 76