USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 629 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= 0.753 K(o=1.6,f=-1.3) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.859 K(o=1.6,f=-0.69) USER MOD Set 2.1: A 55 THR OG1 : rot -89:sc= 1.39 USER MOD Set 2.2: A 57 SER OG : rot -81:sc= 0.172 USER MOD Set 3.1: A 22 THR OG1 : rot -39:sc= 1.22 USER MOD Set 3.2: A 25 ASN : amide:sc= 1.55 K(o=2.8,f=-5.3!) USER MOD Set 4.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 9 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 2.29 (180deg=2.2) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 169:sc= 1.01 (180deg=0.882) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -88:sc= 0.517 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00867 USER MOD Single : A 27 LYS NZ :NH3+ 178:sc= 1.33 (180deg=1.29) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.499 K(o=-0.5,f=-1.6) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 0.658 (180deg=0.649) USER MOD Single : A 40 GLN : amide:sc=-0.00606 K(o=-0.0061,f=-0.74) USER MOD Single : A 41 GLN : amide:sc= 0.93 K(o=0.93,f=-3.6) USER MOD Single : A 48 LYS NZ :NH3+ -162:sc= 1.24 (180deg=0.785) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 59 TYR OH : rot 30:sc= 0.494 USER MOD Single : A 63 LYS NZ :NH3+ -170:sc= 1.25 (180deg=1.18) USER MOD Single : A 65 SER OG : rot 64:sc= 1.7 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0103 X(o=-0.01,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.434 51.916 20.568 1.00 0.00 N ATOM 2 CA MET A 1 32.936 52.172 21.927 1.00 0.00 C ATOM 3 C MET A 1 34.438 52.457 21.886 1.00 0.00 C ATOM 4 O MET A 1 35.117 51.956 20.993 1.00 0.00 O ATOM 5 CB MET A 1 32.613 51.019 22.873 1.00 0.00 C ATOM 6 CG MET A 1 33.357 49.719 22.579 1.00 0.00 C ATOM 7 SD MET A 1 32.883 48.356 23.673 1.00 0.00 S ATOM 8 CE MET A 1 34.208 47.183 23.292 1.00 0.00 C ATOM 0 H1 MET A 1 31.402 51.790 20.597 1.00 0.00 H new ATOM 0 H2 MET A 1 32.668 52.722 19.954 1.00 0.00 H new ATOM 0 H3 MET A 1 32.877 51.054 20.191 1.00 0.00 H new ATOM 0 HA MET A 1 32.427 53.053 22.319 1.00 0.00 H new ATOM 0 HB2 MET A 1 32.842 51.329 23.892 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.541 50.824 22.833 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.170 49.428 21.546 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.429 49.894 22.672 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.073 46.277 23.882 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.179 46.933 22.231 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.172 47.632 23.533 1.00 0.00 H new ATOM 20 N GLN A 2 34.981 53.185 22.859 1.00 0.00 N ATOM 21 CA GLN A 2 36.404 53.421 22.993 1.00 0.00 C ATOM 22 C GLN A 2 37.024 52.503 24.050 1.00 0.00 C ATOM 23 O GLN A 2 36.392 52.225 25.067 1.00 0.00 O ATOM 24 CB GLN A 2 36.680 54.894 23.284 1.00 0.00 C ATOM 25 CG GLN A 2 36.334 55.787 22.096 1.00 0.00 C ATOM 26 CD GLN A 2 36.702 57.249 22.348 1.00 0.00 C ATOM 27 OE1 GLN A 2 37.831 57.680 22.119 1.00 0.00 O ATOM 28 NE2 GLN A 2 35.787 58.078 22.847 1.00 0.00 N ATOM 0 H GLN A 2 34.427 53.634 23.588 1.00 0.00 H new ATOM 0 HA GLN A 2 36.881 53.177 22.044 1.00 0.00 H new ATOM 0 HB2 GLN A 2 36.101 55.206 24.153 1.00 0.00 H new ATOM 0 HB3 GLN A 2 37.732 55.022 23.539 1.00 0.00 H new ATOM 0 HG2 GLN A 2 36.858 55.429 21.210 1.00 0.00 H new ATOM 0 HG3 GLN A 2 35.267 55.713 21.887 1.00 0.00 H new ATOM 0 HE21 GLN A 2 34.845 57.739 23.044 1.00 0.00 H new ATOM 0 HE22 GLN A 2 36.028 59.052 23.033 1.00 0.00 H new ATOM 37 N ILE A 3 38.258 52.063 23.828 1.00 0.00 N ATOM 38 CA ILE A 3 39.087 51.392 24.809 1.00 0.00 C ATOM 39 C ILE A 3 40.478 52.023 24.885 1.00 0.00 C ATOM 40 O ILE A 3 40.918 52.679 23.942 1.00 0.00 O ATOM 41 CB ILE A 3 39.142 49.877 24.631 1.00 0.00 C ATOM 42 CG1 ILE A 3 40.125 49.346 23.592 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.761 49.254 24.452 1.00 0.00 C ATOM 44 CD1 ILE A 3 39.976 49.875 22.168 1.00 0.00 C ATOM 0 H ILE A 3 38.720 52.170 22.925 1.00 0.00 H new ATOM 0 HA ILE A 3 38.603 51.544 25.774 1.00 0.00 H new ATOM 0 HB ILE A 3 39.557 49.547 25.583 1.00 0.00 H new ATOM 0 HG12 ILE A 3 41.135 49.572 23.934 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.034 48.260 23.562 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.861 48.176 24.330 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.150 49.464 25.330 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.283 49.676 23.568 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.733 49.420 21.530 1.00 0.00 H new ATOM 0 HD12 ILE A 3 38.985 49.626 21.789 1.00 0.00 H new ATOM 0 HD13 ILE A 3 40.103 50.958 22.167 1.00 0.00 H new ATOM 56 N PHE A 4 41.172 51.816 26.000 1.00 0.00 N ATOM 57 CA PHE A 4 42.400 52.500 26.353 1.00 0.00 C ATOM 58 C PHE A 4 43.532 51.513 26.639 1.00 0.00 C ATOM 59 O PHE A 4 43.448 50.711 27.568 1.00 0.00 O ATOM 60 CB PHE A 4 42.127 53.393 27.560 1.00 0.00 C ATOM 61 CG PHE A 4 41.039 54.418 27.338 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.340 55.626 26.698 1.00 0.00 C ATOM 63 CD2 PHE A 4 39.727 54.159 27.753 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.329 56.563 26.454 1.00 0.00 C ATOM 65 CE2 PHE A 4 38.716 55.095 27.505 1.00 0.00 C ATOM 66 CZ PHE A 4 39.011 56.292 26.843 1.00 0.00 C ATOM 0 H PHE A 4 40.879 51.140 26.706 1.00 0.00 H new ATOM 0 HA PHE A 4 42.728 53.110 25.511 1.00 0.00 H new ATOM 0 HB2 PHE A 4 41.852 52.765 28.408 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.048 53.910 27.831 1.00 0.00 H new ATOM 0 HD1 PHE A 4 42.354 55.836 26.392 1.00 0.00 H new ATOM 0 HD2 PHE A 4 39.495 53.237 28.265 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.566 57.496 25.965 1.00 0.00 H new ATOM 0 HE2 PHE A 4 37.705 54.893 27.826 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.226 57.004 26.633 1.00 0.00 H new ATOM 76 N VAL A 5 44.608 51.580 25.860 1.00 0.00 N ATOM 77 CA VAL A 5 45.743 50.681 25.915 1.00 0.00 C ATOM 78 C VAL A 5 46.956 51.377 26.535 1.00 0.00 C ATOM 79 O VAL A 5 47.516 52.294 25.935 1.00 0.00 O ATOM 80 CB VAL A 5 46.051 50.134 24.524 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.235 49.172 24.578 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.871 49.382 23.917 1.00 0.00 C ATOM 0 H VAL A 5 44.711 52.297 25.142 1.00 0.00 H new ATOM 0 HA VAL A 5 45.494 49.836 26.556 1.00 0.00 H new ATOM 0 HB VAL A 5 46.277 51.000 23.902 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.441 48.792 23.577 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.113 49.697 24.954 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.998 48.340 25.241 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.144 49.014 22.928 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.608 48.540 24.557 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.017 50.054 23.831 1.00 0.00 H new ATOM 92 N LYS A 6 47.379 50.944 27.719 1.00 0.00 N ATOM 93 CA LYS A 6 48.436 51.532 28.518 1.00 0.00 C ATOM 94 C LYS A 6 49.783 50.830 28.336 1.00 0.00 C ATOM 95 O LYS A 6 49.849 49.607 28.430 1.00 0.00 O ATOM 96 CB LYS A 6 48.042 51.495 29.991 1.00 0.00 C ATOM 97 CG LYS A 6 46.804 52.330 30.306 1.00 0.00 C ATOM 98 CD LYS A 6 46.462 52.328 31.793 1.00 0.00 C ATOM 99 CE LYS A 6 47.412 53.185 32.624 1.00 0.00 C ATOM 100 NZ LYS A 6 47.084 53.120 34.057 1.00 0.00 N ATOM 0 H LYS A 6 46.966 50.126 28.167 1.00 0.00 H new ATOM 0 HA LYS A 6 48.560 52.560 28.176 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.859 50.461 30.285 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.877 51.855 30.592 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.967 53.356 29.975 1.00 0.00 H new ATOM 0 HG3 LYS A 6 45.956 51.944 29.741 1.00 0.00 H new ATOM 0 HD2 LYS A 6 45.443 52.691 31.926 1.00 0.00 H new ATOM 0 HD3 LYS A 6 46.486 51.304 32.164 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.437 52.849 32.469 1.00 0.00 H new ATOM 0 HE3 LYS A 6 47.361 54.220 32.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 47.749 53.714 34.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 46.114 53.464 34.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 47.157 52.136 34.385 1.00 0.00 H new ATOM 114 N THR A 7 50.867 51.582 28.165 1.00 0.00 N ATOM 115 CA THR A 7 52.227 51.082 28.134 1.00 0.00 C ATOM 116 C THR A 7 53.030 51.460 29.380 1.00 0.00 C ATOM 117 O THR A 7 52.737 52.458 30.034 1.00 0.00 O ATOM 118 CB THR A 7 52.964 51.489 26.861 1.00 0.00 C ATOM 119 OG1 THR A 7 53.053 52.892 26.739 1.00 0.00 O ATOM 120 CG2 THR A 7 52.271 50.938 25.619 1.00 0.00 C ATOM 0 H THR A 7 50.814 52.593 28.040 1.00 0.00 H new ATOM 0 HA THR A 7 52.139 49.996 28.132 1.00 0.00 H new ATOM 0 HB THR A 7 53.967 51.069 26.937 1.00 0.00 H new ATOM 0 HG1 THR A 7 53.532 53.119 25.915 1.00 0.00 H new ATOM 0 HG21 THR A 7 52.820 51.246 24.729 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.243 49.850 25.670 1.00 0.00 H new ATOM 0 HG23 THR A 7 51.253 51.325 25.569 1.00 0.00 H new ATOM 128 N LEU A 8 54.042 50.668 29.721 1.00 0.00 N ATOM 129 CA LEU A 8 54.866 50.835 30.901 1.00 0.00 C ATOM 130 C LEU A 8 55.678 52.132 30.926 1.00 0.00 C ATOM 131 O LEU A 8 56.039 52.606 32.001 1.00 0.00 O ATOM 132 CB LEU A 8 55.795 49.634 31.052 1.00 0.00 C ATOM 133 CG LEU A 8 55.119 48.331 31.470 1.00 0.00 C ATOM 134 CD1 LEU A 8 56.119 47.182 31.387 1.00 0.00 C ATOM 135 CD2 LEU A 8 54.589 48.392 32.899 1.00 0.00 C ATOM 0 H LEU A 8 54.316 49.863 29.158 1.00 0.00 H new ATOM 0 HA LEU A 8 54.178 50.901 31.744 1.00 0.00 H new ATOM 0 HB2 LEU A 8 56.306 49.470 30.103 1.00 0.00 H new ATOM 0 HB3 LEU A 8 56.560 49.879 31.788 1.00 0.00 H new ATOM 0 HG LEU A 8 54.281 48.174 30.791 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.632 46.254 31.686 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.481 47.088 30.363 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.959 47.382 32.052 1.00 0.00 H new ATOM 0 HD21 LEU A 8 54.116 47.443 33.153 1.00 0.00 H new ATOM 0 HD22 LEU A 8 55.414 48.581 33.585 1.00 0.00 H new ATOM 0 HD23 LEU A 8 53.857 49.195 32.982 1.00 0.00 H new ATOM 147 N THR A 9 55.929 52.737 29.768 1.00 0.00 N ATOM 148 CA THR A 9 56.522 54.046 29.586 1.00 0.00 C ATOM 149 C THR A 9 55.517 55.198 29.653 1.00 0.00 C ATOM 150 O THR A 9 55.784 56.309 29.202 1.00 0.00 O ATOM 151 CB THR A 9 57.377 54.108 28.323 1.00 0.00 C ATOM 152 OG1 THR A 9 56.699 53.574 27.207 1.00 0.00 O ATOM 153 CG2 THR A 9 58.675 53.323 28.482 1.00 0.00 C ATOM 0 H THR A 9 55.707 52.291 28.878 1.00 0.00 H new ATOM 0 HA THR A 9 57.181 54.189 30.443 1.00 0.00 H new ATOM 0 HB THR A 9 57.592 55.165 28.164 1.00 0.00 H new ATOM 0 HG1 THR A 9 57.275 53.631 26.416 1.00 0.00 H new ATOM 0 HG21 THR A 9 59.256 53.391 27.562 1.00 0.00 H new ATOM 0 HG22 THR A 9 59.253 53.738 29.308 1.00 0.00 H new ATOM 0 HG23 THR A 9 58.445 52.278 28.690 1.00 0.00 H new ATOM 161 N GLY A 10 54.347 54.955 30.238 1.00 0.00 N ATOM 162 CA GLY A 10 53.381 55.965 30.617 1.00 0.00 C ATOM 163 C GLY A 10 52.483 56.506 29.501 1.00 0.00 C ATOM 164 O GLY A 10 51.697 57.413 29.762 1.00 0.00 O ATOM 0 H GLY A 10 54.040 54.010 30.467 1.00 0.00 H new ATOM 0 HA2 GLY A 10 52.743 55.551 31.397 1.00 0.00 H new ATOM 0 HA3 GLY A 10 53.920 56.804 31.058 1.00 0.00 H new ATOM 168 N LYS A 11 52.555 55.956 28.292 1.00 0.00 N ATOM 169 CA LYS A 11 51.696 56.322 27.184 1.00 0.00 C ATOM 170 C LYS A 11 50.347 55.611 27.301 1.00 0.00 C ATOM 171 O LYS A 11 50.272 54.524 27.869 1.00 0.00 O ATOM 172 CB LYS A 11 52.411 56.045 25.865 1.00 0.00 C ATOM 173 CG LYS A 11 52.021 57.021 24.758 1.00 0.00 C ATOM 174 CD LYS A 11 52.642 56.694 23.404 1.00 0.00 C ATOM 175 CE LYS A 11 54.164 56.811 23.360 1.00 0.00 C ATOM 176 NZ LYS A 11 54.688 56.418 22.044 1.00 0.00 N ATOM 0 H LYS A 11 53.229 55.228 28.056 1.00 0.00 H new ATOM 0 HA LYS A 11 51.483 57.391 27.212 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.488 56.097 26.024 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.185 55.029 25.542 1.00 0.00 H new ATOM 0 HG2 LYS A 11 50.936 57.028 24.658 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.320 58.027 25.051 1.00 0.00 H new ATOM 0 HD2 LYS A 11 52.360 55.679 23.125 1.00 0.00 H new ATOM 0 HD3 LYS A 11 52.217 57.360 22.653 1.00 0.00 H new ATOM 0 HE2 LYS A 11 54.459 57.837 23.581 1.00 0.00 H new ATOM 0 HE3 LYS A 11 54.603 56.180 24.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 55.692 56.681 21.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 54.590 55.390 21.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.153 56.906 21.297 1.00 0.00 H new ATOM 190 N THR A 12 49.285 56.193 26.750 1.00 0.00 N ATOM 191 CA THR A 12 48.006 55.544 26.544 1.00 0.00 C ATOM 192 C THR A 12 47.518 55.781 25.114 1.00 0.00 C ATOM 193 O THR A 12 47.464 56.918 24.651 1.00 0.00 O ATOM 194 CB THR A 12 46.940 55.989 27.541 1.00 0.00 C ATOM 195 OG1 THR A 12 47.376 55.820 28.872 1.00 0.00 O ATOM 196 CG2 THR A 12 45.664 55.157 27.437 1.00 0.00 C ATOM 0 H THR A 12 49.298 57.160 26.426 1.00 0.00 H new ATOM 0 HA THR A 12 48.167 54.479 26.710 1.00 0.00 H new ATOM 0 HB THR A 12 46.752 57.035 27.298 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.672 56.115 29.487 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.937 55.513 28.167 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.248 55.253 26.434 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.895 54.110 27.636 1.00 0.00 H new ATOM 204 N ILE A 13 47.138 54.710 24.423 1.00 0.00 N ATOM 205 CA ILE A 13 46.609 54.721 23.073 1.00 0.00 C ATOM 206 C ILE A 13 45.112 54.407 23.108 1.00 0.00 C ATOM 207 O ILE A 13 44.716 53.383 23.659 1.00 0.00 O ATOM 208 CB ILE A 13 47.375 53.742 22.189 1.00 0.00 C ATOM 209 CG1 ILE A 13 48.875 54.019 22.143 1.00 0.00 C ATOM 210 CG2 ILE A 13 46.813 53.708 20.771 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.291 55.388 21.612 1.00 0.00 C ATOM 0 H ILE A 13 47.195 53.769 24.812 1.00 0.00 H new ATOM 0 HA ILE A 13 46.738 55.712 22.639 1.00 0.00 H new ATOM 0 HB ILE A 13 47.238 52.765 22.652 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.275 53.906 23.151 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.346 53.254 21.525 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.384 53.000 20.170 1.00 0.00 H new ATOM 0 HG22 ILE A 13 45.768 53.399 20.801 1.00 0.00 H new ATOM 0 HG23 ILE A 13 46.885 54.701 20.327 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.378 55.469 21.627 1.00 0.00 H new ATOM 0 HD12 ILE A 13 48.932 55.506 20.590 1.00 0.00 H new ATOM 0 HD13 ILE A 13 48.861 56.168 22.240 1.00 0.00 H new ATOM 223 N THR A 14 44.298 55.265 22.498 1.00 0.00 N ATOM 224 CA THR A 14 42.867 55.084 22.369 1.00 0.00 C ATOM 225 C THR A 14 42.498 54.576 20.974 1.00 0.00 C ATOM 226 O THR A 14 43.089 54.996 19.982 1.00 0.00 O ATOM 227 CB THR A 14 42.120 56.378 22.681 1.00 0.00 C ATOM 228 OG1 THR A 14 42.602 56.962 23.869 1.00 0.00 O ATOM 229 CG2 THR A 14 40.624 56.159 22.891 1.00 0.00 C ATOM 0 H THR A 14 44.632 56.128 22.070 1.00 0.00 H new ATOM 0 HA THR A 14 42.564 54.331 23.096 1.00 0.00 H new ATOM 0 HB THR A 14 42.285 57.020 21.816 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.109 56.601 24.635 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.144 57.113 23.110 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.188 55.732 21.988 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.470 55.476 23.726 1.00 0.00 H new ATOM 237 N LEU A 15 41.514 53.684 20.887 1.00 0.00 N ATOM 238 CA LEU A 15 40.899 53.264 19.644 1.00 0.00 C ATOM 239 C LEU A 15 39.379 53.155 19.774 1.00 0.00 C ATOM 240 O LEU A 15 38.869 52.730 20.808 1.00 0.00 O ATOM 241 CB LEU A 15 41.481 51.932 19.179 1.00 0.00 C ATOM 242 CG LEU A 15 42.935 51.954 18.714 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.424 50.526 18.494 1.00 0.00 C ATOM 244 CD2 LEU A 15 43.106 52.719 17.404 1.00 0.00 C ATOM 0 H LEU A 15 41.116 53.224 21.706 1.00 0.00 H new ATOM 0 HA LEU A 15 41.119 54.028 18.899 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.394 51.217 19.997 1.00 0.00 H new ATOM 0 HB3 LEU A 15 40.866 51.557 18.361 1.00 0.00 H new ATOM 0 HG LEU A 15 43.514 52.454 19.491 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.462 50.544 18.162 1.00 0.00 H new ATOM 0 HD12 LEU A 15 43.351 49.969 19.428 1.00 0.00 H new ATOM 0 HD13 LEU A 15 42.809 50.044 17.735 1.00 0.00 H new ATOM 0 HD21 LEU A 15 44.156 52.709 17.111 1.00 0.00 H new ATOM 0 HD22 LEU A 15 42.508 52.246 16.626 1.00 0.00 H new ATOM 0 HD23 LEU A 15 42.777 53.749 17.539 1.00 0.00 H new ATOM 256 N GLU A 16 38.669 53.489 18.699 1.00 0.00 N ATOM 257 CA GLU A 16 37.255 53.223 18.526 1.00 0.00 C ATOM 258 C GLU A 16 37.050 51.854 17.875 1.00 0.00 C ATOM 259 O GLU A 16 37.565 51.589 16.791 1.00 0.00 O ATOM 260 CB GLU A 16 36.628 54.347 17.707 1.00 0.00 C ATOM 261 CG GLU A 16 35.172 54.139 17.297 1.00 0.00 C ATOM 262 CD GLU A 16 34.182 54.067 18.461 1.00 0.00 C ATOM 263 OE1 GLU A 16 34.368 54.767 19.480 1.00 0.00 O ATOM 264 OE2 GLU A 16 33.170 53.344 18.338 1.00 0.00 O ATOM 0 H GLU A 16 39.083 53.969 17.900 1.00 0.00 H new ATOM 0 HA GLU A 16 36.759 53.194 19.496 1.00 0.00 H new ATOM 0 HB2 GLU A 16 36.695 55.271 18.282 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.223 54.489 16.805 1.00 0.00 H new ATOM 0 HG2 GLU A 16 34.875 54.953 16.636 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.100 53.217 16.719 1.00 0.00 H new ATOM 271 N VAL A 17 36.300 50.987 18.550 1.00 0.00 N ATOM 272 CA VAL A 17 36.041 49.604 18.203 1.00 0.00 C ATOM 273 C VAL A 17 34.583 49.233 18.484 1.00 0.00 C ATOM 274 O VAL A 17 33.848 49.972 19.136 1.00 0.00 O ATOM 275 CB VAL A 17 36.966 48.658 18.963 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.441 48.948 18.699 1.00 0.00 C ATOM 277 CG2 VAL A 17 36.723 48.671 20.470 1.00 0.00 C ATOM 0 H VAL A 17 35.827 51.257 19.413 1.00 0.00 H new ATOM 0 HA VAL A 17 36.235 49.498 17.136 1.00 0.00 H new ATOM 0 HB VAL A 17 36.723 47.667 18.580 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.056 48.247 19.263 1.00 0.00 H new ATOM 0 HG12 VAL A 17 38.649 48.838 17.635 1.00 0.00 H new ATOM 0 HG13 VAL A 17 38.673 49.967 19.010 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.411 47.979 20.955 1.00 0.00 H new ATOM 0 HG22 VAL A 17 36.888 49.677 20.856 1.00 0.00 H new ATOM 0 HG23 VAL A 17 35.697 48.367 20.676 1.00 0.00 H new ATOM 287 N GLU A 18 34.162 48.051 18.044 1.00 0.00 N ATOM 288 CA GLU A 18 32.945 47.397 18.484 1.00 0.00 C ATOM 289 C GLU A 18 33.286 46.169 19.330 1.00 0.00 C ATOM 290 O GLU A 18 34.321 45.551 19.095 1.00 0.00 O ATOM 291 CB GLU A 18 32.100 47.002 17.277 1.00 0.00 C ATOM 292 CG GLU A 18 31.685 48.154 16.365 1.00 0.00 C ATOM 293 CD GLU A 18 30.761 49.204 16.985 1.00 0.00 C ATOM 294 OE1 GLU A 18 30.099 48.963 18.018 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.655 50.295 16.384 1.00 0.00 O ATOM 0 H GLU A 18 34.678 47.510 17.350 1.00 0.00 H new ATOM 0 HA GLU A 18 32.369 48.089 19.098 1.00 0.00 H new ATOM 0 HB2 GLU A 18 32.658 46.276 16.686 1.00 0.00 H new ATOM 0 HB3 GLU A 18 31.200 46.500 17.633 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.587 48.655 16.013 1.00 0.00 H new ATOM 0 HG3 GLU A 18 31.190 47.736 15.488 1.00 0.00 H new ATOM 302 N PRO A 19 32.448 45.734 20.267 1.00 0.00 N ATOM 303 CA PRO A 19 32.680 44.520 21.024 1.00 0.00 C ATOM 304 C PRO A 19 32.720 43.257 20.161 1.00 0.00 C ATOM 305 O PRO A 19 33.311 42.257 20.561 1.00 0.00 O ATOM 306 CB PRO A 19 31.564 44.471 22.064 1.00 0.00 C ATOM 307 CG PRO A 19 30.436 45.282 21.435 1.00 0.00 C ATOM 308 CD PRO A 19 31.201 46.355 20.667 1.00 0.00 C ATOM 0 HA PRO A 19 33.667 44.543 21.486 1.00 0.00 H new ATOM 0 HB2 PRO A 19 31.253 43.446 22.268 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.884 44.902 23.013 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.816 44.674 20.776 1.00 0.00 H new ATOM 0 HG3 PRO A 19 29.775 45.713 22.187 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.636 46.694 19.799 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.381 47.230 21.291 1.00 0.00 H new ATOM 316 N SER A 20 32.144 43.310 18.963 1.00 0.00 N ATOM 317 CA SER A 20 32.208 42.289 17.938 1.00 0.00 C ATOM 318 C SER A 20 33.523 42.235 17.159 1.00 0.00 C ATOM 319 O SER A 20 33.675 41.377 16.293 1.00 0.00 O ATOM 320 CB SER A 20 31.036 42.471 16.978 1.00 0.00 C ATOM 321 OG SER A 20 30.969 43.783 16.467 1.00 0.00 O ATOM 0 H SER A 20 31.590 44.115 18.672 1.00 0.00 H new ATOM 0 HA SER A 20 32.150 41.334 18.460 1.00 0.00 H new ATOM 0 HB2 SER A 20 31.131 41.765 16.153 1.00 0.00 H new ATOM 0 HB3 SER A 20 30.105 42.235 17.494 1.00 0.00 H new ATOM 0 HG SER A 20 30.207 43.857 15.856 1.00 0.00 H new ATOM 327 N ASP A 21 34.487 43.122 17.398 1.00 0.00 N ATOM 328 CA ASP A 21 35.779 43.088 16.743 1.00 0.00 C ATOM 329 C ASP A 21 36.720 42.042 17.343 1.00 0.00 C ATOM 330 O ASP A 21 36.629 41.712 18.523 1.00 0.00 O ATOM 331 CB ASP A 21 36.415 44.476 16.745 1.00 0.00 C ATOM 332 CG ASP A 21 35.665 45.466 15.851 1.00 0.00 C ATOM 333 OD1 ASP A 21 35.089 45.033 14.829 1.00 0.00 O ATOM 334 OD2 ASP A 21 35.762 46.686 16.100 1.00 0.00 O ATOM 0 H ASP A 21 34.385 43.891 18.061 1.00 0.00 H new ATOM 0 HA ASP A 21 35.608 42.784 15.710 1.00 0.00 H new ATOM 0 HB2 ASP A 21 36.440 44.859 17.765 1.00 0.00 H new ATOM 0 HB3 ASP A 21 37.449 44.399 16.408 1.00 0.00 H new ATOM 339 N THR A 22 37.625 41.514 16.523 1.00 0.00 N ATOM 340 CA THR A 22 38.618 40.542 16.932 1.00 0.00 C ATOM 341 C THR A 22 39.860 41.208 17.528 1.00 0.00 C ATOM 342 O THR A 22 40.171 42.354 17.213 1.00 0.00 O ATOM 343 CB THR A 22 39.015 39.570 15.825 1.00 0.00 C ATOM 344 OG1 THR A 22 39.808 40.177 14.829 1.00 0.00 O ATOM 345 CG2 THR A 22 37.817 38.911 15.147 1.00 0.00 C ATOM 0 H THR A 22 37.684 41.760 15.535 1.00 0.00 H new ATOM 0 HA THR A 22 38.132 39.952 17.709 1.00 0.00 H new ATOM 0 HB THR A 22 39.597 38.804 16.337 1.00 0.00 H new ATOM 0 HG1 THR A 22 39.480 41.084 14.658 1.00 0.00 H new ATOM 0 HG21 THR A 22 38.167 38.232 14.370 1.00 0.00 H new ATOM 0 HG22 THR A 22 37.243 38.352 15.886 1.00 0.00 H new ATOM 0 HG23 THR A 22 37.184 39.678 14.700 1.00 0.00 H new ATOM 353 N ILE A 23 40.626 40.475 18.332 1.00 0.00 N ATOM 354 CA ILE A 23 41.866 40.963 18.901 1.00 0.00 C ATOM 355 C ILE A 23 42.838 41.447 17.822 1.00 0.00 C ATOM 356 O ILE A 23 43.450 42.499 17.986 1.00 0.00 O ATOM 357 CB ILE A 23 42.455 39.894 19.816 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.600 39.616 21.048 1.00 0.00 C ATOM 359 CG2 ILE A 23 43.890 40.193 20.239 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.388 40.786 22.007 1.00 0.00 C ATOM 0 H ILE A 23 40.396 39.519 18.605 1.00 0.00 H new ATOM 0 HA ILE A 23 41.664 41.845 19.509 1.00 0.00 H new ATOM 0 HB ILE A 23 42.463 38.992 19.204 1.00 0.00 H new ATOM 0 HG12 ILE A 23 40.623 39.267 20.714 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.058 38.798 21.604 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.252 39.396 20.888 1.00 0.00 H new ATOM 0 HG22 ILE A 23 44.524 40.256 19.355 1.00 0.00 H new ATOM 0 HG23 ILE A 23 43.921 41.141 20.776 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.765 40.464 22.842 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.352 41.127 22.384 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.895 41.603 21.480 1.00 0.00 H new ATOM 372 N GLU A 24 42.926 40.790 16.669 1.00 0.00 N ATOM 373 CA GLU A 24 43.768 41.229 15.574 1.00 0.00 C ATOM 374 C GLU A 24 43.411 42.605 15.006 1.00 0.00 C ATOM 375 O GLU A 24 44.290 43.312 14.519 1.00 0.00 O ATOM 376 CB GLU A 24 43.766 40.160 14.485 1.00 0.00 C ATOM 377 CG GLU A 24 44.815 40.412 13.407 1.00 0.00 C ATOM 378 CD GLU A 24 44.884 39.246 12.418 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.803 38.410 12.560 1.00 0.00 O ATOM 380 OE2 GLU A 24 44.035 39.155 11.505 1.00 0.00 O ATOM 0 H GLU A 24 42.409 39.933 16.473 1.00 0.00 H new ATOM 0 HA GLU A 24 44.772 41.358 15.979 1.00 0.00 H new ATOM 0 HB2 GLU A 24 43.945 39.185 14.939 1.00 0.00 H new ATOM 0 HB3 GLU A 24 42.779 40.120 14.023 1.00 0.00 H new ATOM 0 HG2 GLU A 24 44.577 41.332 12.873 1.00 0.00 H new ATOM 0 HG3 GLU A 24 45.790 40.556 13.872 1.00 0.00 H new ATOM 387 N ASN A 25 42.160 43.042 15.127 1.00 0.00 N ATOM 388 CA ASN A 25 41.744 44.375 14.741 1.00 0.00 C ATOM 389 C ASN A 25 42.360 45.461 15.625 1.00 0.00 C ATOM 390 O ASN A 25 42.598 46.575 15.164 1.00 0.00 O ATOM 391 CB ASN A 25 40.222 44.475 14.722 1.00 0.00 C ATOM 392 CG ASN A 25 39.561 43.496 13.748 1.00 0.00 C ATOM 393 OD1 ASN A 25 38.769 42.634 14.120 1.00 0.00 O ATOM 394 ND2 ASN A 25 39.839 43.625 12.454 1.00 0.00 N ATOM 0 H ASN A 25 41.403 42.469 15.501 1.00 0.00 H new ATOM 0 HA ASN A 25 42.118 44.550 13.732 1.00 0.00 H new ATOM 0 HB2 ASN A 25 39.840 44.290 15.726 1.00 0.00 H new ATOM 0 HB3 ASN A 25 39.935 45.492 14.454 1.00 0.00 H new ATOM 0 HD21 ASN A 25 39.395 43.009 11.773 1.00 0.00 H new ATOM 0 HD22 ASN A 25 40.496 44.340 12.142 1.00 0.00 H new ATOM 401 N VAL A 26 42.696 45.130 16.868 1.00 0.00 N ATOM 402 CA VAL A 26 43.430 46.001 17.763 1.00 0.00 C ATOM 403 C VAL A 26 44.929 45.925 17.466 1.00 0.00 C ATOM 404 O VAL A 26 45.582 46.957 17.335 1.00 0.00 O ATOM 405 CB VAL A 26 43.115 45.685 19.222 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.757 46.693 20.171 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.614 45.693 19.499 1.00 0.00 C ATOM 0 H VAL A 26 42.458 44.230 17.284 1.00 0.00 H new ATOM 0 HA VAL A 26 43.111 47.029 17.590 1.00 0.00 H new ATOM 0 HB VAL A 26 43.522 44.689 19.397 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.509 46.433 21.200 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.839 46.675 20.043 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.382 47.692 19.949 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.437 45.463 20.550 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.207 46.678 19.269 1.00 0.00 H new ATOM 0 HG23 VAL A 26 41.125 44.944 18.876 1.00 0.00 H new ATOM 417 N LYS A 27 45.478 44.729 17.273 1.00 0.00 N ATOM 418 CA LYS A 27 46.898 44.509 17.089 1.00 0.00 C ATOM 419 C LYS A 27 47.491 45.192 15.854 1.00 0.00 C ATOM 420 O LYS A 27 48.579 45.755 15.945 1.00 0.00 O ATOM 421 CB LYS A 27 47.205 43.015 17.054 1.00 0.00 C ATOM 422 CG LYS A 27 46.854 42.345 18.381 1.00 0.00 C ATOM 423 CD LYS A 27 47.244 40.871 18.456 1.00 0.00 C ATOM 424 CE LYS A 27 48.750 40.636 18.369 1.00 0.00 C ATOM 425 NZ LYS A 27 49.070 39.203 18.458 1.00 0.00 N ATOM 0 H LYS A 27 44.930 43.870 17.240 1.00 0.00 H new ATOM 0 HA LYS A 27 47.377 44.976 17.949 1.00 0.00 H new ATOM 0 HB2 LYS A 27 46.643 42.545 16.247 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.262 42.864 16.836 1.00 0.00 H new ATOM 0 HG2 LYS A 27 47.349 42.883 19.190 1.00 0.00 H new ATOM 0 HG3 LYS A 27 45.781 42.435 18.549 1.00 0.00 H new ATOM 0 HD2 LYS A 27 46.872 40.452 19.391 1.00 0.00 H new ATOM 0 HD3 LYS A 27 46.752 40.331 17.647 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.130 41.039 17.430 1.00 0.00 H new ATOM 0 HE3 LYS A 27 49.252 41.174 19.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.097 39.070 18.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 48.758 38.834 19.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 48.582 38.690 17.696 1.00 0.00 H new ATOM 439 N ALA A 28 46.781 45.186 14.729 1.00 0.00 N ATOM 440 CA ALA A 28 47.223 45.864 13.527 1.00 0.00 C ATOM 441 C ALA A 28 47.189 47.388 13.653 1.00 0.00 C ATOM 442 O ALA A 28 48.021 48.072 13.060 1.00 0.00 O ATOM 443 CB ALA A 28 46.368 45.373 12.363 1.00 0.00 C ATOM 0 H ALA A 28 45.884 44.710 14.631 1.00 0.00 H new ATOM 0 HA ALA A 28 48.271 45.620 13.351 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.683 45.870 11.445 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.489 44.295 12.252 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.321 45.602 12.559 1.00 0.00 H new ATOM 449 N LYS A 29 46.295 47.933 14.472 1.00 0.00 N ATOM 450 CA LYS A 29 46.206 49.348 14.774 1.00 0.00 C ATOM 451 C LYS A 29 47.247 49.787 15.806 1.00 0.00 C ATOM 452 O LYS A 29 47.760 50.899 15.707 1.00 0.00 O ATOM 453 CB LYS A 29 44.779 49.714 15.169 1.00 0.00 C ATOM 454 CG LYS A 29 43.812 49.533 14.001 1.00 0.00 C ATOM 455 CD LYS A 29 42.381 49.940 14.339 1.00 0.00 C ATOM 456 CE LYS A 29 41.510 49.709 13.107 1.00 0.00 C ATOM 457 NZ LYS A 29 40.150 50.248 13.260 1.00 0.00 N ATOM 0 H LYS A 29 45.591 47.378 14.958 1.00 0.00 H new ATOM 0 HA LYS A 29 46.448 49.908 13.870 1.00 0.00 H new ATOM 0 HB2 LYS A 29 44.461 49.092 16.006 1.00 0.00 H new ATOM 0 HB3 LYS A 29 44.749 50.749 15.511 1.00 0.00 H new ATOM 0 HG2 LYS A 29 44.161 50.124 13.154 1.00 0.00 H new ATOM 0 HG3 LYS A 29 43.822 48.489 13.688 1.00 0.00 H new ATOM 0 HD2 LYS A 29 42.009 49.356 15.181 1.00 0.00 H new ATOM 0 HD3 LYS A 29 42.345 50.988 14.638 1.00 0.00 H new ATOM 0 HE2 LYS A 29 41.984 50.172 12.241 1.00 0.00 H new ATOM 0 HE3 LYS A 29 41.451 48.640 12.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 39.604 50.063 12.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 39.684 49.789 14.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 40.200 51.274 13.425 1.00 0.00 H new ATOM 471 N ILE A 30 47.662 48.902 16.708 1.00 0.00 N ATOM 472 CA ILE A 30 48.838 49.081 17.534 1.00 0.00 C ATOM 473 C ILE A 30 50.101 49.162 16.676 1.00 0.00 C ATOM 474 O ILE A 30 50.950 50.008 16.949 1.00 0.00 O ATOM 475 CB ILE A 30 48.922 48.015 18.624 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.826 48.224 19.665 1.00 0.00 C ATOM 477 CG2 ILE A 30 50.282 48.009 19.315 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.616 47.049 20.616 1.00 0.00 C ATOM 0 H ILE A 30 47.175 48.023 16.884 1.00 0.00 H new ATOM 0 HA ILE A 30 48.752 50.036 18.053 1.00 0.00 H new ATOM 0 HB ILE A 30 48.785 47.051 18.135 1.00 0.00 H new ATOM 0 HG12 ILE A 30 48.066 49.110 20.252 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.888 48.428 19.149 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.297 47.235 20.083 1.00 0.00 H new ATOM 0 HG22 ILE A 30 51.062 47.807 18.581 1.00 0.00 H new ATOM 0 HG23 ILE A 30 50.460 48.981 19.776 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.819 47.288 21.319 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.341 46.163 20.044 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.538 46.856 21.165 1.00 0.00 H new ATOM 490 N GLN A 31 50.231 48.376 15.611 1.00 0.00 N ATOM 491 CA GLN A 31 51.335 48.538 14.687 1.00 0.00 C ATOM 492 C GLN A 31 51.280 49.883 13.957 1.00 0.00 C ATOM 493 O GLN A 31 52.310 50.543 13.846 1.00 0.00 O ATOM 494 CB GLN A 31 51.425 47.367 13.712 1.00 0.00 C ATOM 495 CG GLN A 31 52.718 47.443 12.906 1.00 0.00 C ATOM 496 CD GLN A 31 53.026 46.224 12.034 1.00 0.00 C ATOM 497 OE1 GLN A 31 52.233 45.301 11.869 1.00 0.00 O ATOM 498 NE2 GLN A 31 54.223 46.160 11.458 1.00 0.00 N ATOM 0 H GLN A 31 49.584 47.624 15.372 1.00 0.00 H new ATOM 0 HA GLN A 31 52.250 48.539 15.279 1.00 0.00 H new ATOM 0 HB2 GLN A 31 51.386 46.426 14.260 1.00 0.00 H new ATOM 0 HB3 GLN A 31 50.568 47.380 13.038 1.00 0.00 H new ATOM 0 HG2 GLN A 31 52.675 48.324 12.265 1.00 0.00 H new ATOM 0 HG3 GLN A 31 53.548 47.592 13.597 1.00 0.00 H new ATOM 0 HE21 GLN A 31 54.892 46.919 11.586 1.00 0.00 H new ATOM 0 HE22 GLN A 31 54.472 45.352 10.888 1.00 0.00 H new ATOM 507 N ASP A 32 50.108 50.332 13.517 1.00 0.00 N ATOM 508 CA ASP A 32 49.953 51.616 12.863 1.00 0.00 C ATOM 509 C ASP A 32 50.355 52.793 13.754 1.00 0.00 C ATOM 510 O ASP A 32 51.180 53.609 13.348 1.00 0.00 O ATOM 511 CB ASP A 32 48.517 51.771 12.370 1.00 0.00 C ATOM 512 CG ASP A 32 48.367 53.023 11.504 1.00 0.00 C ATOM 513 OD1 ASP A 32 48.015 54.096 12.037 1.00 0.00 O ATOM 514 OD2 ASP A 32 48.644 52.951 10.286 1.00 0.00 O ATOM 0 H ASP A 32 49.238 49.808 13.607 1.00 0.00 H new ATOM 0 HA ASP A 32 50.636 51.634 12.014 1.00 0.00 H new ATOM 0 HB2 ASP A 32 48.229 50.891 11.796 1.00 0.00 H new ATOM 0 HB3 ASP A 32 47.840 51.831 13.223 1.00 0.00 H new ATOM 519 N LYS A 33 49.821 52.857 14.970 1.00 0.00 N ATOM 520 CA LYS A 33 50.023 53.950 15.898 1.00 0.00 C ATOM 521 C LYS A 33 51.361 53.914 16.641 1.00 0.00 C ATOM 522 O LYS A 33 51.952 54.972 16.848 1.00 0.00 O ATOM 523 CB LYS A 33 48.862 54.045 16.883 1.00 0.00 C ATOM 524 CG LYS A 33 47.544 54.469 16.243 1.00 0.00 C ATOM 525 CD LYS A 33 46.509 54.853 17.297 1.00 0.00 C ATOM 526 CE LYS A 33 45.280 55.500 16.665 1.00 0.00 C ATOM 527 NZ LYS A 33 44.380 56.093 17.666 1.00 0.00 N ATOM 0 H LYS A 33 49.218 52.124 15.342 1.00 0.00 H new ATOM 0 HA LYS A 33 50.056 54.849 15.283 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.726 53.077 17.364 1.00 0.00 H new ATOM 0 HB3 LYS A 33 49.120 54.757 17.667 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.717 55.314 15.577 1.00 0.00 H new ATOM 0 HG3 LYS A 33 47.157 53.654 15.631 1.00 0.00 H new ATOM 0 HD2 LYS A 33 46.208 53.965 17.853 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.956 55.542 18.013 1.00 0.00 H new ATOM 0 HE2 LYS A 33 45.599 56.272 15.965 1.00 0.00 H new ATOM 0 HE3 LYS A 33 44.735 54.752 16.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 43.514 56.429 17.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.133 55.377 18.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.856 56.893 18.130 1.00 0.00 H new ATOM 541 N GLU A 34 51.854 52.746 17.041 1.00 0.00 N ATOM 542 CA GLU A 34 52.996 52.591 17.920 1.00 0.00 C ATOM 543 C GLU A 34 54.163 51.783 17.349 1.00 0.00 C ATOM 544 O GLU A 34 55.179 51.648 18.027 1.00 0.00 O ATOM 545 CB GLU A 34 52.534 52.022 19.259 1.00 0.00 C ATOM 546 CG GLU A 34 51.856 53.055 20.155 1.00 0.00 C ATOM 547 CD GLU A 34 52.832 54.131 20.634 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.695 53.841 21.492 1.00 0.00 O ATOM 549 OE2 GLU A 34 52.781 55.276 20.137 1.00 0.00 O ATOM 0 H GLU A 34 51.452 51.855 16.749 1.00 0.00 H new ATOM 0 HA GLU A 34 53.409 53.591 18.049 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.842 51.200 19.077 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.393 51.605 19.784 1.00 0.00 H new ATOM 0 HG2 GLU A 34 51.038 53.525 19.610 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.418 52.554 21.018 1.00 0.00 H new ATOM 556 N GLY A 35 54.067 51.268 16.127 1.00 0.00 N ATOM 557 CA GLY A 35 55.173 50.661 15.413 1.00 0.00 C ATOM 558 C GLY A 35 55.539 49.233 15.822 1.00 0.00 C ATOM 559 O GLY A 35 56.544 48.708 15.350 1.00 0.00 O ATOM 0 H GLY A 35 53.195 51.264 15.598 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.936 50.662 14.349 1.00 0.00 H new ATOM 0 HA3 GLY A 35 56.053 51.291 15.544 1.00 0.00 H new ATOM 563 N ILE A 36 54.762 48.593 16.692 1.00 0.00 N ATOM 564 CA ILE A 36 55.026 47.272 17.224 1.00 0.00 C ATOM 565 C ILE A 36 54.310 46.226 16.367 1.00 0.00 C ATOM 566 O ILE A 36 53.080 46.235 16.377 1.00 0.00 O ATOM 567 CB ILE A 36 54.606 47.181 18.688 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.226 48.264 19.565 1.00 0.00 C ATOM 569 CG2 ILE A 36 54.973 45.806 19.236 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.530 48.440 20.912 1.00 0.00 C ATOM 0 H ILE A 36 53.901 49.001 17.055 1.00 0.00 H new ATOM 0 HA ILE A 36 56.098 47.077 17.187 1.00 0.00 H new ATOM 0 HB ILE A 36 53.527 47.335 18.717 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.275 48.022 19.737 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.201 49.212 19.027 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.674 45.739 20.282 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.458 45.036 18.661 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.050 45.658 19.157 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.028 49.227 21.479 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.487 48.713 20.750 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.577 47.505 21.471 1.00 0.00 H new ATOM 582 N PRO A 37 54.984 45.311 15.675 1.00 0.00 N ATOM 583 CA PRO A 37 54.331 44.272 14.905 1.00 0.00 C ATOM 584 C PRO A 37 53.493 43.325 15.767 1.00 0.00 C ATOM 585 O PRO A 37 53.920 43.041 16.883 1.00 0.00 O ATOM 586 CB PRO A 37 55.438 43.508 14.185 1.00 0.00 C ATOM 587 CG PRO A 37 56.607 44.490 14.164 1.00 0.00 C ATOM 588 CD PRO A 37 56.418 45.244 15.477 1.00 0.00 C ATOM 0 HA PRO A 37 53.626 44.723 14.207 1.00 0.00 H new ATOM 0 HB2 PRO A 37 55.697 42.589 14.711 1.00 0.00 H new ATOM 0 HB3 PRO A 37 55.137 43.224 13.177 1.00 0.00 H new ATOM 0 HG2 PRO A 37 57.568 43.978 14.123 1.00 0.00 H new ATOM 0 HG3 PRO A 37 56.564 45.156 13.302 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.905 44.725 16.302 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.855 46.241 15.425 1.00 0.00 H new ATOM 596 N PRO A 38 52.371 42.790 15.295 1.00 0.00 N ATOM 597 CA PRO A 38 51.519 41.877 16.031 1.00 0.00 C ATOM 598 C PRO A 38 52.229 40.728 16.748 1.00 0.00 C ATOM 599 O PRO A 38 51.831 40.371 17.855 1.00 0.00 O ATOM 600 CB PRO A 38 50.532 41.336 15.000 1.00 0.00 C ATOM 601 CG PRO A 38 50.335 42.532 14.073 1.00 0.00 C ATOM 602 CD PRO A 38 51.727 43.157 14.051 1.00 0.00 C ATOM 0 HA PRO A 38 51.053 42.424 16.851 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.932 40.472 14.469 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.596 41.021 15.461 1.00 0.00 H new ATOM 0 HG2 PRO A 38 50.010 42.227 13.078 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.584 43.224 14.455 1.00 0.00 H new ATOM 0 HD2 PRO A 38 52.300 42.794 13.198 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.663 44.241 13.954 1.00 0.00 H new ATOM 610 N ASP A 39 53.301 40.189 16.173 1.00 0.00 N ATOM 611 CA ASP A 39 54.062 39.089 16.731 1.00 0.00 C ATOM 612 C ASP A 39 55.037 39.480 17.843 1.00 0.00 C ATOM 613 O ASP A 39 55.616 38.611 18.493 1.00 0.00 O ATOM 614 CB ASP A 39 54.738 38.345 15.583 1.00 0.00 C ATOM 615 CG ASP A 39 55.303 36.992 16.018 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.501 36.744 15.760 1.00 0.00 O ATOM 617 OD2 ASP A 39 54.556 36.194 16.624 1.00 0.00 O ATOM 0 H ASP A 39 53.670 40.519 15.281 1.00 0.00 H new ATOM 0 HA ASP A 39 53.365 38.428 17.246 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.019 38.194 14.778 1.00 0.00 H new ATOM 0 HB3 ASP A 39 55.543 38.959 15.180 1.00 0.00 H new ATOM 622 N GLN A 40 55.223 40.770 18.104 1.00 0.00 N ATOM 623 CA GLN A 40 55.994 41.279 19.221 1.00 0.00 C ATOM 624 C GLN A 40 55.132 41.695 20.414 1.00 0.00 C ATOM 625 O GLN A 40 55.678 42.150 21.416 1.00 0.00 O ATOM 626 CB GLN A 40 56.883 42.437 18.780 1.00 0.00 C ATOM 627 CG GLN A 40 57.875 42.050 17.687 1.00 0.00 C ATOM 628 CD GLN A 40 58.951 43.109 17.441 1.00 0.00 C ATOM 629 OE1 GLN A 40 59.282 43.941 18.282 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.573 43.096 16.266 1.00 0.00 N ATOM 0 H GLN A 40 54.827 41.509 17.523 1.00 0.00 H new ATOM 0 HA GLN A 40 56.617 40.452 19.561 1.00 0.00 H new ATOM 0 HB2 GLN A 40 56.255 43.252 18.420 1.00 0.00 H new ATOM 0 HB3 GLN A 40 57.432 42.815 19.643 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.356 41.110 17.959 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.331 41.873 16.759 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.310 42.411 15.557 1.00 0.00 H new ATOM 0 HE22 GLN A 40 60.313 43.771 16.073 1.00 0.00 H new ATOM 639 N GLN A 41 53.809 41.572 20.343 1.00 0.00 N ATOM 640 CA GLN A 41 52.899 42.116 21.329 1.00 0.00 C ATOM 641 C GLN A 41 52.413 41.068 22.332 1.00 0.00 C ATOM 642 O GLN A 41 52.274 39.896 21.988 1.00 0.00 O ATOM 643 CB GLN A 41 51.692 42.738 20.632 1.00 0.00 C ATOM 644 CG GLN A 41 51.979 43.860 19.638 1.00 0.00 C ATOM 645 CD GLN A 41 50.759 44.237 18.796 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.637 43.805 19.051 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.897 45.028 17.736 1.00 0.00 N ATOM 0 H GLN A 41 53.338 41.082 19.583 1.00 0.00 H new ATOM 0 HA GLN A 41 53.454 42.871 21.886 1.00 0.00 H new ATOM 0 HB2 GLN A 41 51.157 41.947 20.107 1.00 0.00 H new ATOM 0 HB3 GLN A 41 51.019 43.125 21.397 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.325 44.740 20.181 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.790 43.554 18.977 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.814 45.404 17.496 1.00 0.00 H new ATOM 0 HE22 GLN A 41 50.085 45.259 17.163 1.00 0.00 H new ATOM 656 N ARG A 42 52.048 41.531 23.524 1.00 0.00 N ATOM 657 CA ARG A 42 51.044 40.953 24.394 1.00 0.00 C ATOM 658 C ARG A 42 50.140 42.056 24.947 1.00 0.00 C ATOM 659 O ARG A 42 50.639 43.098 25.365 1.00 0.00 O ATOM 660 CB ARG A 42 51.687 40.195 25.553 1.00 0.00 C ATOM 661 CG ARG A 42 52.422 38.910 25.184 1.00 0.00 C ATOM 662 CD ARG A 42 51.487 37.840 24.628 1.00 0.00 C ATOM 663 NE ARG A 42 52.131 36.526 24.648 1.00 0.00 N ATOM 664 CZ ARG A 42 51.564 35.340 24.387 1.00 0.00 C ATOM 665 NH1 ARG A 42 50.321 35.218 23.901 1.00 0.00 N ATOM 666 NH2 ARG A 42 52.271 34.229 24.632 1.00 0.00 N ATOM 0 H ARG A 42 52.472 42.367 23.926 1.00 0.00 H new ATOM 0 HA ARG A 42 50.454 40.249 23.807 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.390 40.862 26.052 1.00 0.00 H new ATOM 0 HB3 ARG A 42 50.910 39.951 26.277 1.00 0.00 H new ATOM 0 HG2 ARG A 42 53.191 39.135 24.445 1.00 0.00 H new ATOM 0 HG3 ARG A 42 52.931 38.520 26.066 1.00 0.00 H new ATOM 0 HD2 ARG A 42 50.570 37.810 25.217 1.00 0.00 H new ATOM 0 HD3 ARG A 42 51.202 38.095 23.607 1.00 0.00 H new ATOM 0 HE ARG A 42 53.122 36.511 24.887 1.00 0.00 H new ATOM 0 HH11 ARG A 42 49.763 36.051 23.714 1.00 0.00 H new ATOM 0 HH12 ARG A 42 49.933 34.292 23.719 1.00 0.00 H new ATOM 0 HH21 ARG A 42 53.217 34.299 25.008 1.00 0.00 H new ATOM 0 HH22 ARG A 42 51.864 33.313 24.443 1.00 0.00 H new ATOM 680 N LEU A 43 48.834 41.813 24.985 1.00 0.00 N ATOM 681 CA LEU A 43 47.823 42.727 25.478 1.00 0.00 C ATOM 682 C LEU A 43 46.953 42.035 26.530 1.00 0.00 C ATOM 683 O LEU A 43 46.368 40.993 26.243 1.00 0.00 O ATOM 684 CB LEU A 43 47.014 43.230 24.287 1.00 0.00 C ATOM 685 CG LEU A 43 45.883 44.211 24.582 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.429 45.556 25.056 1.00 0.00 C ATOM 687 CD2 LEU A 43 45.074 44.457 23.311 1.00 0.00 C ATOM 0 H LEU A 43 48.439 40.932 24.657 1.00 0.00 H new ATOM 0 HA LEU A 43 48.280 43.584 25.972 1.00 0.00 H new ATOM 0 HB2 LEU A 43 47.701 43.706 23.587 1.00 0.00 H new ATOM 0 HB3 LEU A 43 46.588 42.366 23.777 1.00 0.00 H new ATOM 0 HG LEU A 43 45.261 43.775 25.364 1.00 0.00 H new ATOM 0 HD11 LEU A 43 45.600 46.234 25.258 1.00 0.00 H new ATOM 0 HD12 LEU A 43 47.011 45.412 25.966 1.00 0.00 H new ATOM 0 HD13 LEU A 43 47.067 45.983 24.282 1.00 0.00 H new ATOM 0 HD21 LEU A 43 44.267 45.158 23.524 1.00 0.00 H new ATOM 0 HD22 LEU A 43 45.723 44.874 22.541 1.00 0.00 H new ATOM 0 HD23 LEU A 43 44.653 43.515 22.959 1.00 0.00 H new ATOM 699 N ILE A 44 46.889 42.590 27.738 1.00 0.00 N ATOM 700 CA ILE A 44 46.275 41.979 28.900 1.00 0.00 C ATOM 701 C ILE A 44 45.038 42.768 29.332 1.00 0.00 C ATOM 702 O ILE A 44 45.069 43.994 29.408 1.00 0.00 O ATOM 703 CB ILE A 44 47.285 41.809 30.030 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.474 40.927 29.655 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.630 41.200 31.266 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.643 41.645 28.987 1.00 0.00 C ATOM 0 H ILE A 44 47.280 43.511 27.935 1.00 0.00 H new ATOM 0 HA ILE A 44 45.939 40.978 28.631 1.00 0.00 H new ATOM 0 HB ILE A 44 47.649 42.816 30.235 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.840 40.438 30.558 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.124 40.141 28.986 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.374 41.090 32.055 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.828 41.852 31.611 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.220 40.222 31.016 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.432 40.926 28.764 1.00 0.00 H new ATOM 0 HD12 ILE A 44 49.303 42.110 28.062 1.00 0.00 H new ATOM 0 HD13 ILE A 44 50.030 42.412 29.658 1.00 0.00 H new ATOM 718 N PHE A 45 43.960 42.058 29.655 1.00 0.00 N ATOM 719 CA PHE A 45 42.732 42.590 30.209 1.00 0.00 C ATOM 720 C PHE A 45 42.294 41.787 31.435 1.00 0.00 C ATOM 721 O PHE A 45 42.108 40.577 31.332 1.00 0.00 O ATOM 722 CB PHE A 45 41.641 42.577 29.141 1.00 0.00 C ATOM 723 CG PHE A 45 40.269 42.945 29.652 1.00 0.00 C ATOM 724 CD1 PHE A 45 39.958 44.277 29.951 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.297 41.954 29.833 1.00 0.00 C ATOM 726 CE1 PHE A 45 38.683 44.622 30.412 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.019 42.291 30.292 1.00 0.00 C ATOM 728 CZ PHE A 45 37.713 43.627 30.582 1.00 0.00 C ATOM 0 H PHE A 45 43.924 41.046 29.529 1.00 0.00 H new ATOM 0 HA PHE A 45 42.907 43.617 30.529 1.00 0.00 H new ATOM 0 HB2 PHE A 45 41.918 43.270 28.346 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.596 41.583 28.696 1.00 0.00 H new ATOM 0 HD1 PHE A 45 40.708 45.044 29.825 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.535 40.923 29.617 1.00 0.00 H new ATOM 0 HE1 PHE A 45 38.448 45.652 30.636 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.271 41.523 30.422 1.00 0.00 H new ATOM 0 HZ PHE A 45 36.727 43.890 30.937 1.00 0.00 H new ATOM 738 N ALA A 46 42.126 42.438 32.582 1.00 0.00 N ATOM 739 CA ALA A 46 41.747 41.832 33.843 1.00 0.00 C ATOM 740 C ALA A 46 42.538 40.576 34.217 1.00 0.00 C ATOM 741 O ALA A 46 41.989 39.621 34.762 1.00 0.00 O ATOM 742 CB ALA A 46 40.231 41.664 33.873 1.00 0.00 C ATOM 0 H ALA A 46 42.257 43.447 32.655 1.00 0.00 H new ATOM 0 HA ALA A 46 42.033 42.511 34.646 1.00 0.00 H new ATOM 0 HB1 ALA A 46 39.934 41.209 34.818 1.00 0.00 H new ATOM 0 HB2 ALA A 46 39.755 42.640 33.775 1.00 0.00 H new ATOM 0 HB3 ALA A 46 39.919 41.024 33.048 1.00 0.00 H new ATOM 748 N GLY A 47 43.830 40.552 33.905 1.00 0.00 N ATOM 749 CA GLY A 47 44.735 39.439 34.110 1.00 0.00 C ATOM 750 C GLY A 47 44.696 38.328 33.060 1.00 0.00 C ATOM 751 O GLY A 47 45.371 37.318 33.240 1.00 0.00 O ATOM 0 H GLY A 47 44.293 41.355 33.480 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.752 39.830 34.156 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.518 38.997 35.083 1.00 0.00 H new ATOM 755 N LYS A 48 43.925 38.467 31.984 1.00 0.00 N ATOM 756 CA LYS A 48 43.770 37.491 30.924 1.00 0.00 C ATOM 757 C LYS A 48 44.638 37.837 29.712 1.00 0.00 C ATOM 758 O LYS A 48 44.612 38.976 29.254 1.00 0.00 O ATOM 759 CB LYS A 48 42.302 37.358 30.528 1.00 0.00 C ATOM 760 CG LYS A 48 41.395 37.018 31.707 1.00 0.00 C ATOM 761 CD LYS A 48 39.933 36.789 31.335 1.00 0.00 C ATOM 762 CE LYS A 48 39.304 38.014 30.678 1.00 0.00 C ATOM 763 NZ LYS A 48 37.835 37.920 30.655 1.00 0.00 N ATOM 0 H LYS A 48 43.367 39.306 31.826 1.00 0.00 H new ATOM 0 HA LYS A 48 44.111 36.528 31.303 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.967 38.292 30.077 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.205 36.584 29.767 1.00 0.00 H new ATOM 0 HG2 LYS A 48 41.777 36.122 32.196 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.449 37.827 32.436 1.00 0.00 H new ATOM 0 HD2 LYS A 48 39.862 35.939 30.657 1.00 0.00 H new ATOM 0 HD3 LYS A 48 39.369 36.530 32.231 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.604 38.912 31.218 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.679 38.115 29.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.455 38.588 29.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 37.553 36.952 30.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 37.457 38.153 31.596 1.00 0.00 H new ATOM 777 N GLN A 49 45.362 36.858 29.176 1.00 0.00 N ATOM 778 CA GLN A 49 46.035 36.926 27.895 1.00 0.00 C ATOM 779 C GLN A 49 45.050 36.631 26.762 1.00 0.00 C ATOM 780 O GLN A 49 44.129 35.837 26.941 1.00 0.00 O ATOM 781 CB GLN A 49 47.202 35.944 27.864 1.00 0.00 C ATOM 782 CG GLN A 49 48.356 36.263 28.811 1.00 0.00 C ATOM 783 CD GLN A 49 49.243 37.431 28.378 1.00 0.00 C ATOM 784 OE1 GLN A 49 49.012 38.105 27.376 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.312 37.716 29.117 1.00 0.00 N ATOM 0 H GLN A 49 45.497 35.963 29.646 1.00 0.00 H new ATOM 0 HA GLN A 49 46.427 37.933 27.754 1.00 0.00 H new ATOM 0 HB2 GLN A 49 46.824 34.950 28.102 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.591 35.901 26.847 1.00 0.00 H new ATOM 0 HG2 GLN A 49 47.947 36.483 29.797 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.977 35.374 28.915 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.517 37.166 29.951 1.00 0.00 H new ATOM 0 HE22 GLN A 49 50.927 38.485 28.849 1.00 0.00 H new ATOM 794 N LEU A 50 45.229 37.250 25.598 1.00 0.00 N ATOM 795 CA LEU A 50 44.216 37.362 24.568 1.00 0.00 C ATOM 796 C LEU A 50 44.689 36.779 23.235 1.00 0.00 C ATOM 797 O LEU A 50 45.813 37.033 22.808 1.00 0.00 O ATOM 798 CB LEU A 50 43.801 38.825 24.438 1.00 0.00 C ATOM 799 CG LEU A 50 43.413 39.545 25.725 1.00 0.00 C ATOM 800 CD1 LEU A 50 43.135 41.019 25.446 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.179 38.961 26.407 1.00 0.00 C ATOM 0 H LEU A 50 46.110 37.698 25.344 1.00 0.00 H new ATOM 0 HA LEU A 50 43.347 36.772 24.858 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.623 39.372 23.977 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.957 38.879 23.750 1.00 0.00 H new ATOM 0 HG LEU A 50 44.263 39.417 26.395 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.859 41.519 26.374 1.00 0.00 H new ATOM 0 HD12 LEU A 50 44.029 41.486 25.034 1.00 0.00 H new ATOM 0 HD13 LEU A 50 42.317 41.106 24.730 1.00 0.00 H new ATOM 0 HD21 LEU A 50 41.964 39.524 27.315 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.326 39.023 25.731 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.364 37.918 26.663 1.00 0.00 H new ATOM 813 N GLU A 51 43.835 36.019 22.555 1.00 0.00 N ATOM 814 CA GLU A 51 44.135 35.307 21.328 1.00 0.00 C ATOM 815 C GLU A 51 43.527 35.981 20.096 1.00 0.00 C ATOM 816 O GLU A 51 42.376 36.413 20.106 1.00 0.00 O ATOM 817 CB GLU A 51 43.709 33.845 21.432 1.00 0.00 C ATOM 818 CG GLU A 51 44.466 33.091 22.523 1.00 0.00 C ATOM 819 CD GLU A 51 44.089 31.610 22.585 1.00 0.00 C ATOM 820 OE1 GLU A 51 43.290 31.224 23.464 1.00 0.00 O ATOM 821 OE2 GLU A 51 44.605 30.807 21.777 1.00 0.00 O ATOM 0 H GLU A 51 42.873 35.880 22.863 1.00 0.00 H new ATOM 0 HA GLU A 51 45.216 35.339 21.194 1.00 0.00 H new ATOM 0 HB2 GLU A 51 42.639 33.795 21.636 1.00 0.00 H new ATOM 0 HB3 GLU A 51 43.874 33.353 20.474 1.00 0.00 H new ATOM 0 HG2 GLU A 51 45.538 33.182 22.346 1.00 0.00 H new ATOM 0 HG3 GLU A 51 44.262 33.555 23.488 1.00 0.00 H new ATOM 828 N ASP A 52 44.300 36.062 19.017 1.00 0.00 N ATOM 829 CA ASP A 52 44.092 36.925 17.872 1.00 0.00 C ATOM 830 C ASP A 52 42.773 36.743 17.120 1.00 0.00 C ATOM 831 O ASP A 52 42.252 37.703 16.556 1.00 0.00 O ATOM 832 CB ASP A 52 45.253 36.726 16.903 1.00 0.00 C ATOM 833 CG ASP A 52 46.597 37.219 17.442 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.239 38.056 16.771 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.056 36.790 18.524 1.00 0.00 O ATOM 0 H ASP A 52 45.138 35.489 18.919 1.00 0.00 H new ATOM 0 HA ASP A 52 44.042 37.936 18.275 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.335 35.666 16.662 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.031 37.249 15.972 1.00 0.00 H new ATOM 840 N GLY A 53 42.213 35.536 17.100 1.00 0.00 N ATOM 841 CA GLY A 53 40.994 35.207 16.389 1.00 0.00 C ATOM 842 C GLY A 53 39.687 35.560 17.103 1.00 0.00 C ATOM 843 O GLY A 53 38.649 35.650 16.452 1.00 0.00 O ATOM 0 H GLY A 53 42.613 34.739 17.596 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.009 35.718 15.426 1.00 0.00 H new ATOM 0 HA3 GLY A 53 40.995 34.137 16.182 1.00 0.00 H new ATOM 847 N ARG A 54 39.706 35.748 18.419 1.00 0.00 N ATOM 848 CA ARG A 54 38.521 35.855 19.245 1.00 0.00 C ATOM 849 C ARG A 54 38.082 37.309 19.435 1.00 0.00 C ATOM 850 O ARG A 54 38.879 38.220 19.218 1.00 0.00 O ATOM 851 CB ARG A 54 38.738 35.104 20.556 1.00 0.00 C ATOM 852 CG ARG A 54 38.981 33.617 20.316 1.00 0.00 C ATOM 853 CD ARG A 54 39.182 32.807 21.594 1.00 0.00 C ATOM 854 NE ARG A 54 37.949 32.635 22.363 1.00 0.00 N ATOM 855 CZ ARG A 54 36.969 31.749 22.135 1.00 0.00 C ATOM 856 NH1 ARG A 54 36.946 30.911 21.090 1.00 0.00 N ATOM 857 NH2 ARG A 54 35.947 31.699 22.999 1.00 0.00 N ATOM 0 H ARG A 54 40.573 35.832 18.949 1.00 0.00 H new ATOM 0 HA ARG A 54 37.685 35.378 18.733 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.590 35.532 21.085 1.00 0.00 H new ATOM 0 HB3 ARG A 54 37.867 35.232 21.198 1.00 0.00 H new ATOM 0 HG2 ARG A 54 38.135 33.205 19.766 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.860 33.501 19.682 1.00 0.00 H new ATOM 0 HD2 ARG A 54 39.583 31.827 21.337 1.00 0.00 H new ATOM 0 HD3 ARG A 54 39.926 33.302 22.218 1.00 0.00 H new ATOM 0 HE ARG A 54 37.821 33.258 23.160 1.00 0.00 H new ATOM 0 HH11 ARG A 54 37.706 30.924 20.409 1.00 0.00 H new ATOM 0 HH12 ARG A 54 36.169 30.260 20.975 1.00 0.00 H new ATOM 0 HH21 ARG A 54 35.929 32.325 23.804 1.00 0.00 H new ATOM 0 HH22 ARG A 54 35.187 31.035 22.852 1.00 0.00 H new ATOM 871 N THR A 55 36.821 37.532 19.792 1.00 0.00 N ATOM 872 CA THR A 55 36.261 38.865 19.889 1.00 0.00 C ATOM 873 C THR A 55 36.500 39.546 21.238 1.00 0.00 C ATOM 874 O THR A 55 36.805 38.898 22.238 1.00 0.00 O ATOM 875 CB THR A 55 34.783 38.943 19.517 1.00 0.00 C ATOM 876 OG1 THR A 55 33.991 38.251 20.456 1.00 0.00 O ATOM 877 CG2 THR A 55 34.475 38.385 18.131 1.00 0.00 C ATOM 0 H THR A 55 36.162 36.788 20.022 1.00 0.00 H new ATOM 0 HA THR A 55 36.821 39.422 19.138 1.00 0.00 H new ATOM 0 HB THR A 55 34.543 40.006 19.516 1.00 0.00 H new ATOM 0 HG1 THR A 55 33.907 37.313 20.185 1.00 0.00 H new ATOM 0 HG21 THR A 55 33.407 38.472 17.933 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.031 38.948 17.381 1.00 0.00 H new ATOM 0 HG23 THR A 55 34.767 37.336 18.088 1.00 0.00 H new ATOM 885 N LEU A 56 36.311 40.861 21.294 1.00 0.00 N ATOM 886 CA LEU A 56 36.319 41.603 22.538 1.00 0.00 C ATOM 887 C LEU A 56 35.247 41.093 23.502 1.00 0.00 C ATOM 888 O LEU A 56 35.535 40.900 24.681 1.00 0.00 O ATOM 889 CB LEU A 56 36.181 43.097 22.255 1.00 0.00 C ATOM 890 CG LEU A 56 37.510 43.831 22.105 1.00 0.00 C ATOM 891 CD1 LEU A 56 38.295 43.431 20.860 1.00 0.00 C ATOM 892 CD2 LEU A 56 37.257 45.333 22.022 1.00 0.00 C ATOM 0 H LEU A 56 36.148 41.439 20.470 1.00 0.00 H new ATOM 0 HA LEU A 56 37.276 41.444 23.035 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.600 43.230 21.342 1.00 0.00 H new ATOM 0 HB3 LEU A 56 35.614 43.558 23.064 1.00 0.00 H new ATOM 0 HG LEU A 56 38.101 43.558 22.979 1.00 0.00 H new ATOM 0 HD11 LEU A 56 39.228 43.994 20.821 1.00 0.00 H new ATOM 0 HD12 LEU A 56 38.516 42.364 20.897 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.703 43.648 19.971 1.00 0.00 H new ATOM 0 HD21 LEU A 56 38.207 45.857 21.915 1.00 0.00 H new ATOM 0 HD22 LEU A 56 36.625 45.548 21.161 1.00 0.00 H new ATOM 0 HD23 LEU A 56 36.758 45.669 22.931 1.00 0.00 H new ATOM 904 N SER A 57 34.039 40.795 23.031 1.00 0.00 N ATOM 905 CA SER A 57 32.993 40.222 23.854 1.00 0.00 C ATOM 906 C SER A 57 33.203 38.751 24.219 1.00 0.00 C ATOM 907 O SER A 57 32.766 38.355 25.297 1.00 0.00 O ATOM 908 CB SER A 57 31.616 40.463 23.241 1.00 0.00 C ATOM 909 OG SER A 57 31.564 40.048 21.895 1.00 0.00 O ATOM 0 H SER A 57 33.763 40.948 22.061 1.00 0.00 H new ATOM 0 HA SER A 57 33.049 40.753 24.804 1.00 0.00 H new ATOM 0 HB2 SER A 57 30.862 39.926 23.817 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.370 41.523 23.305 1.00 0.00 H new ATOM 0 HG SER A 57 31.959 40.740 21.324 1.00 0.00 H new ATOM 915 N ASP A 58 33.944 37.966 23.444 1.00 0.00 N ATOM 916 CA ASP A 58 34.432 36.665 23.857 1.00 0.00 C ATOM 917 C ASP A 58 35.361 36.739 25.070 1.00 0.00 C ATOM 918 O ASP A 58 35.507 35.746 25.781 1.00 0.00 O ATOM 919 CB ASP A 58 35.170 35.942 22.735 1.00 0.00 C ATOM 920 CG ASP A 58 34.270 35.379 21.633 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.381 34.559 21.947 1.00 0.00 O ATOM 922 OD2 ASP A 58 34.506 35.679 20.443 1.00 0.00 O ATOM 0 H ASP A 58 34.224 38.224 22.498 1.00 0.00 H new ATOM 0 HA ASP A 58 33.537 36.105 24.127 1.00 0.00 H new ATOM 0 HB2 ASP A 58 35.883 36.632 22.285 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.747 35.124 23.167 1.00 0.00 H new ATOM 927 N TYR A 59 35.966 37.892 25.336 1.00 0.00 N ATOM 928 CA TYR A 59 36.784 38.159 26.502 1.00 0.00 C ATOM 929 C TYR A 59 36.121 39.067 27.540 1.00 0.00 C ATOM 930 O TYR A 59 36.756 39.403 28.537 1.00 0.00 O ATOM 931 CB TYR A 59 38.144 38.691 26.058 1.00 0.00 C ATOM 932 CG TYR A 59 39.021 37.635 25.429 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.453 36.557 26.211 1.00 0.00 C ATOM 934 CD2 TYR A 59 39.430 37.752 24.095 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.289 35.579 25.659 1.00 0.00 C ATOM 936 CE2 TYR A 59 40.284 36.793 23.537 1.00 0.00 C ATOM 937 CZ TYR A 59 40.700 35.695 24.315 1.00 0.00 C ATOM 938 OH TYR A 59 41.506 34.741 23.766 1.00 0.00 O ATOM 0 H TYR A 59 35.893 38.697 24.714 1.00 0.00 H new ATOM 0 HA TYR A 59 36.918 37.211 27.024 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.994 39.501 25.345 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.659 39.116 26.919 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.141 36.480 27.242 1.00 0.00 H new ATOM 0 HD2 TYR A 59 39.087 38.582 23.496 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.617 34.742 26.258 1.00 0.00 H new ATOM 0 HE2 TYR A 59 40.622 36.895 22.516 1.00 0.00 H new ATOM 0 HH TYR A 59 41.330 33.878 24.195 1.00 0.00 H new ATOM 948 N ASN A 60 34.853 39.425 27.359 1.00 0.00 N ATOM 949 CA ASN A 60 34.115 40.317 28.230 1.00 0.00 C ATOM 950 C ASN A 60 34.761 41.695 28.389 1.00 0.00 C ATOM 951 O ASN A 60 34.761 42.279 29.470 1.00 0.00 O ATOM 952 CB ASN A 60 33.785 39.572 29.520 1.00 0.00 C ATOM 953 CG ASN A 60 32.614 40.152 30.314 1.00 0.00 C ATOM 954 OD1 ASN A 60 32.041 41.198 30.019 1.00 0.00 O ATOM 955 ND2 ASN A 60 32.203 39.439 31.359 1.00 0.00 N ATOM 0 H ASN A 60 34.297 39.087 26.573 1.00 0.00 H new ATOM 0 HA ASN A 60 33.165 40.587 27.768 1.00 0.00 H new ATOM 0 HB2 ASN A 60 33.561 38.533 29.276 1.00 0.00 H new ATOM 0 HB3 ASN A 60 34.670 39.567 30.156 1.00 0.00 H new ATOM 0 HD21 ASN A 60 31.411 39.761 31.916 1.00 0.00 H new ATOM 0 HD22 ASN A 60 32.679 38.571 31.603 1.00 0.00 H new ATOM 962 N ILE A 61 35.322 42.212 27.299 1.00 0.00 N ATOM 963 CA ILE A 61 35.837 43.560 27.167 1.00 0.00 C ATOM 964 C ILE A 61 34.676 44.481 26.789 1.00 0.00 C ATOM 965 O ILE A 61 33.835 44.135 25.960 1.00 0.00 O ATOM 966 CB ILE A 61 36.988 43.603 26.166 1.00 0.00 C ATOM 967 CG1 ILE A 61 38.158 42.742 26.629 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.469 45.031 25.920 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.162 42.386 25.537 1.00 0.00 C ATOM 0 H ILE A 61 35.432 41.669 26.443 1.00 0.00 H new ATOM 0 HA ILE A 61 36.256 43.909 28.111 1.00 0.00 H new ATOM 0 HB ILE A 61 36.603 43.201 25.229 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.682 43.266 27.428 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.765 41.820 27.057 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.289 45.020 25.202 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.648 45.628 25.524 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.814 45.465 26.858 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.958 41.773 25.960 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.658 41.831 24.746 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.589 43.300 25.124 1.00 0.00 H new ATOM 981 N GLN A 62 34.601 45.645 27.427 1.00 0.00 N ATOM 982 CA GLN A 62 33.452 46.526 27.431 1.00 0.00 C ATOM 983 C GLN A 62 33.814 47.975 27.100 1.00 0.00 C ATOM 984 O GLN A 62 34.985 48.315 26.947 1.00 0.00 O ATOM 985 CB GLN A 62 32.794 46.434 28.805 1.00 0.00 C ATOM 986 CG GLN A 62 32.314 45.031 29.166 1.00 0.00 C ATOM 987 CD GLN A 62 31.560 44.981 30.497 1.00 0.00 C ATOM 988 OE1 GLN A 62 31.084 45.982 31.024 1.00 0.00 O ATOM 989 NE2 GLN A 62 31.381 43.798 31.079 1.00 0.00 N ATOM 0 H GLN A 62 35.378 46.011 27.978 1.00 0.00 H new ATOM 0 HA GLN A 62 32.764 46.206 26.649 1.00 0.00 H new ATOM 0 HB2 GLN A 62 33.504 46.771 29.561 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.946 47.118 28.838 1.00 0.00 H new ATOM 0 HG2 GLN A 62 31.665 44.660 28.373 1.00 0.00 H new ATOM 0 HG3 GLN A 62 33.172 44.361 29.215 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.770 42.956 30.654 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.855 43.733 31.950 1.00 0.00 H new ATOM 998 N LYS A 63 32.820 48.856 27.041 1.00 0.00 N ATOM 999 CA LYS A 63 33.004 50.279 26.842 1.00 0.00 C ATOM 1000 C LYS A 63 33.899 50.912 27.910 1.00 0.00 C ATOM 1001 O LYS A 63 33.784 50.602 29.094 1.00 0.00 O ATOM 1002 CB LYS A 63 31.650 50.969 26.702 1.00 0.00 C ATOM 1003 CG LYS A 63 30.794 50.949 27.966 1.00 0.00 C ATOM 1004 CD LYS A 63 29.370 51.452 27.747 1.00 0.00 C ATOM 1005 CE LYS A 63 29.271 52.883 27.225 1.00 0.00 C ATOM 1006 NZ LYS A 63 29.685 53.878 28.225 1.00 0.00 N ATOM 0 H LYS A 63 31.841 48.587 27.133 1.00 0.00 H new ATOM 0 HA LYS A 63 33.544 50.426 25.907 1.00 0.00 H new ATOM 0 HB2 LYS A 63 31.814 52.005 26.406 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.095 50.491 25.895 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.755 49.931 28.353 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.274 51.562 28.729 1.00 0.00 H new ATOM 0 HD2 LYS A 63 28.869 50.788 27.043 1.00 0.00 H new ATOM 0 HD3 LYS A 63 28.827 51.385 28.690 1.00 0.00 H new ATOM 0 HE2 LYS A 63 29.893 52.986 26.336 1.00 0.00 H new ATOM 0 HE3 LYS A 63 28.244 53.085 26.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 29.442 54.831 27.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 29.194 53.693 29.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 30.713 53.815 28.373 1.00 0.00 H new ATOM 1020 N GLU A 64 34.802 51.788 27.480 1.00 0.00 N ATOM 1021 CA GLU A 64 35.839 52.410 28.278 1.00 0.00 C ATOM 1022 C GLU A 64 36.812 51.456 28.976 1.00 0.00 C ATOM 1023 O GLU A 64 37.398 51.814 29.995 1.00 0.00 O ATOM 1024 CB GLU A 64 35.270 53.474 29.210 1.00 0.00 C ATOM 1025 CG GLU A 64 34.585 54.643 28.509 1.00 0.00 C ATOM 1026 CD GLU A 64 33.099 54.470 28.192 1.00 0.00 C ATOM 1027 OE1 GLU A 64 32.322 54.043 29.072 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.661 54.897 27.101 1.00 0.00 O ATOM 0 H GLU A 64 34.826 52.097 26.508 1.00 0.00 H new ATOM 0 HA GLU A 64 36.478 52.910 27.550 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.553 53.002 29.882 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.078 53.864 29.829 1.00 0.00 H new ATOM 0 HG2 GLU A 64 34.700 55.530 29.132 1.00 0.00 H new ATOM 0 HG3 GLU A 64 35.113 54.838 27.576 1.00 0.00 H new ATOM 1035 N SER A 65 37.023 50.246 28.468 1.00 0.00 N ATOM 1036 CA SER A 65 37.947 49.310 29.076 1.00 0.00 C ATOM 1037 C SER A 65 39.399 49.790 29.076 1.00 0.00 C ATOM 1038 O SER A 65 39.874 50.342 28.086 1.00 0.00 O ATOM 1039 CB SER A 65 37.912 47.934 28.416 1.00 0.00 C ATOM 1040 OG SER A 65 36.664 47.319 28.645 1.00 0.00 O ATOM 0 H SER A 65 36.560 49.894 27.630 1.00 0.00 H new ATOM 0 HA SER A 65 37.598 49.239 30.106 1.00 0.00 H new ATOM 0 HB2 SER A 65 38.087 48.031 27.345 1.00 0.00 H new ATOM 0 HB3 SER A 65 38.712 47.310 28.814 1.00 0.00 H new ATOM 0 HG SER A 65 35.958 47.841 28.210 1.00 0.00 H new ATOM 1046 N THR A 66 40.124 49.480 30.147 1.00 0.00 N ATOM 1047 CA THR A 66 41.563 49.625 30.243 1.00 0.00 C ATOM 1048 C THR A 66 42.250 48.288 29.958 1.00 0.00 C ATOM 1049 O THR A 66 41.887 47.272 30.546 1.00 0.00 O ATOM 1050 CB THR A 66 41.982 50.133 31.620 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.360 51.366 31.906 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.484 50.386 31.717 1.00 0.00 C ATOM 0 H THR A 66 39.705 49.108 30.999 1.00 0.00 H new ATOM 0 HA THR A 66 41.871 50.359 29.499 1.00 0.00 H new ATOM 0 HB THR A 66 41.686 49.353 32.321 1.00 0.00 H new ATOM 0 HG1 THR A 66 41.639 51.675 32.793 1.00 0.00 H new ATOM 0 HG21 THR A 66 43.729 50.746 32.716 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.022 49.458 31.524 1.00 0.00 H new ATOM 0 HG23 THR A 66 43.775 51.135 30.980 1.00 0.00 H new ATOM 1060 N LEU A 67 43.264 48.291 29.098 1.00 0.00 N ATOM 1061 CA LEU A 67 44.090 47.150 28.756 1.00 0.00 C ATOM 1062 C LEU A 67 45.572 47.523 28.840 1.00 0.00 C ATOM 1063 O LEU A 67 45.931 48.687 28.676 1.00 0.00 O ATOM 1064 CB LEU A 67 43.749 46.619 27.366 1.00 0.00 C ATOM 1065 CG LEU A 67 42.299 46.212 27.122 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.443 47.341 26.554 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.230 45.081 26.101 1.00 0.00 C ATOM 0 H LEU A 67 43.542 49.136 28.598 1.00 0.00 H new ATOM 0 HA LEU A 67 43.887 46.357 29.476 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.015 47.383 26.636 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.383 45.754 27.168 1.00 0.00 H new ATOM 0 HG LEU A 67 41.917 45.918 28.100 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.424 46.985 26.404 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.436 48.178 27.252 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.857 47.667 25.600 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.189 44.802 25.937 1.00 0.00 H new ATOM 0 HD22 LEU A 67 42.669 45.413 25.160 1.00 0.00 H new ATOM 0 HD23 LEU A 67 42.783 44.219 26.475 1.00 0.00 H new ATOM 1079 N HIS A 68 46.448 46.547 29.057 1.00 0.00 N ATOM 1080 CA HIS A 68 47.864 46.761 29.285 1.00 0.00 C ATOM 1081 C HIS A 68 48.699 46.092 28.191 1.00 0.00 C ATOM 1082 O HIS A 68 48.581 44.885 27.988 1.00 0.00 O ATOM 1083 CB HIS A 68 48.242 46.249 30.671 1.00 0.00 C ATOM 1084 CG HIS A 68 47.376 46.821 31.760 1.00 0.00 C ATOM 1085 ND1 HIS A 68 47.549 48.063 32.366 1.00 0.00 N ATOM 1086 CD2 HIS A 68 46.226 46.248 32.239 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.514 48.213 33.196 1.00 0.00 C ATOM 1088 NE2 HIS A 68 45.702 47.144 33.149 1.00 0.00 N ATOM 0 H HIS A 68 46.181 45.563 29.079 1.00 0.00 H new ATOM 0 HA HIS A 68 48.076 47.829 29.242 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.165 45.162 30.685 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.284 46.497 30.873 1.00 0.00 H new ATOM 0 HD2 HIS A 68 45.814 45.289 31.961 1.00 0.00 H new ATOM 0 HE1 HIS A 68 46.351 49.078 33.822 1.00 0.00 H new ATOM 0 HE2 HIS A 68 44.847 47.017 33.691 1.00 0.00 H new ATOM 1096 N LEU A 69 49.530 46.860 27.494 1.00 0.00 N ATOM 1097 CA LEU A 69 50.368 46.422 26.396 1.00 0.00 C ATOM 1098 C LEU A 69 51.830 46.314 26.833 1.00 0.00 C ATOM 1099 O LEU A 69 52.394 47.261 27.376 1.00 0.00 O ATOM 1100 CB LEU A 69 50.170 47.384 25.229 1.00 0.00 C ATOM 1101 CG LEU A 69 51.105 47.240 24.032 1.00 0.00 C ATOM 1102 CD1 LEU A 69 50.964 45.901 23.315 1.00 0.00 C ATOM 1103 CD2 LEU A 69 50.802 48.344 23.023 1.00 0.00 C ATOM 0 H LEU A 69 49.639 47.854 27.694 1.00 0.00 H new ATOM 0 HA LEU A 69 50.081 45.421 26.073 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.146 47.273 24.872 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.266 48.400 25.611 1.00 0.00 H new ATOM 0 HG LEU A 69 52.121 47.307 24.422 1.00 0.00 H new ATOM 0 HD11 LEU A 69 51.657 45.864 22.474 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.191 45.091 24.008 1.00 0.00 H new ATOM 0 HD13 LEU A 69 49.943 45.790 22.949 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.468 48.246 22.165 1.00 0.00 H new ATOM 0 HD22 LEU A 69 49.767 48.259 22.691 1.00 0.00 H new ATOM 0 HD23 LEU A 69 50.954 49.317 23.491 1.00 0.00 H new ATOM 1115 N VAL A 70 52.461 45.177 26.551 1.00 0.00 N ATOM 1116 CA VAL A 70 53.874 44.921 26.752 1.00 0.00 C ATOM 1117 C VAL A 70 54.467 44.179 25.553 1.00 0.00 C ATOM 1118 O VAL A 70 53.744 43.595 24.749 1.00 0.00 O ATOM 1119 CB VAL A 70 54.137 44.161 28.049 1.00 0.00 C ATOM 1120 CG1 VAL A 70 53.743 44.970 29.283 1.00 0.00 C ATOM 1121 CG2 VAL A 70 53.442 42.804 28.114 1.00 0.00 C ATOM 0 H VAL A 70 51.972 44.373 26.157 1.00 0.00 H new ATOM 0 HA VAL A 70 54.371 45.887 26.839 1.00 0.00 H new ATOM 0 HB VAL A 70 55.214 43.993 28.048 1.00 0.00 H new ATOM 0 HG11 VAL A 70 53.949 44.387 30.181 1.00 0.00 H new ATOM 0 HG12 VAL A 70 54.319 45.895 29.311 1.00 0.00 H new ATOM 0 HG13 VAL A 70 52.680 45.206 29.239 1.00 0.00 H new ATOM 0 HG21 VAL A 70 53.674 42.321 29.063 1.00 0.00 H new ATOM 0 HG22 VAL A 70 52.364 42.943 28.032 1.00 0.00 H new ATOM 0 HG23 VAL A 70 53.791 42.177 27.293 1.00 0.00 H new ATOM 1131 N LEU A 71 55.790 44.198 25.423 1.00 0.00 N ATOM 1132 CA LEU A 71 56.482 43.426 24.411 1.00 0.00 C ATOM 1133 C LEU A 71 56.617 41.961 24.830 1.00 0.00 C ATOM 1134 O LEU A 71 56.825 41.638 25.997 1.00 0.00 O ATOM 1135 CB LEU A 71 57.815 44.069 24.038 1.00 0.00 C ATOM 1136 CG LEU A 71 57.730 45.451 23.397 1.00 0.00 C ATOM 1137 CD1 LEU A 71 59.134 45.955 23.076 1.00 0.00 C ATOM 1138 CD2 LEU A 71 56.939 45.444 22.092 1.00 0.00 C ATOM 0 H LEU A 71 56.407 44.750 26.018 1.00 0.00 H new ATOM 0 HA LEU A 71 55.879 43.430 23.503 1.00 0.00 H new ATOM 0 HB2 LEU A 71 58.425 44.144 24.938 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.339 43.403 23.352 1.00 0.00 H new ATOM 0 HG LEU A 71 57.222 46.096 24.114 1.00 0.00 H new ATOM 0 HD11 LEU A 71 59.070 46.942 22.618 1.00 0.00 H new ATOM 0 HD12 LEU A 71 59.717 46.018 23.995 1.00 0.00 H new ATOM 0 HD13 LEU A 71 59.619 45.265 22.385 1.00 0.00 H new ATOM 0 HD21 LEU A 71 56.910 46.452 21.679 1.00 0.00 H new ATOM 0 HD22 LEU A 71 57.419 44.773 21.379 1.00 0.00 H new ATOM 0 HD23 LEU A 71 55.922 45.101 22.285 1.00 0.00 H new ATOM 1150 N ARG A 72 56.526 41.061 23.855 1.00 0.00 N ATOM 1151 CA ARG A 72 56.670 39.628 24.012 1.00 0.00 C ATOM 1152 C ARG A 72 58.151 39.248 24.079 1.00 0.00 C ATOM 1153 O ARG A 72 58.951 39.783 23.316 1.00 0.00 O ATOM 1154 CB ARG A 72 55.955 38.928 22.859 1.00 0.00 C ATOM 1155 CG ARG A 72 55.604 37.481 23.194 1.00 0.00 C ATOM 1156 CD ARG A 72 55.063 36.715 21.990 1.00 0.00 C ATOM 1157 NE ARG A 72 53.899 37.351 21.373 1.00 0.00 N ATOM 1158 CZ ARG A 72 53.476 37.107 20.126 1.00 0.00 C ATOM 1159 NH1 ARG A 72 54.005 36.136 19.370 1.00 0.00 N ATOM 1160 NH2 ARG A 72 52.503 37.871 19.609 1.00 0.00 N ATOM 0 H ARG A 72 56.341 41.331 22.889 1.00 0.00 H new ATOM 0 HA ARG A 72 56.213 39.306 24.948 1.00 0.00 H new ATOM 0 HB2 ARG A 72 55.044 39.474 22.613 1.00 0.00 H new ATOM 0 HB3 ARG A 72 56.589 38.951 21.973 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.491 36.974 23.574 1.00 0.00 H new ATOM 0 HG3 ARG A 72 54.862 37.466 23.993 1.00 0.00 H new ATOM 0 HD2 ARG A 72 55.853 36.619 21.245 1.00 0.00 H new ATOM 0 HD3 ARG A 72 54.794 35.706 22.302 1.00 0.00 H new ATOM 0 HE ARG A 72 53.374 38.026 21.930 1.00 0.00 H new ATOM 0 HH11 ARG A 72 54.756 35.553 19.740 1.00 0.00 H new ATOM 0 HH12 ARG A 72 53.657 35.979 18.424 1.00 0.00 H new ATOM 0 HH21 ARG A 72 52.097 38.624 20.164 1.00 0.00 H new ATOM 0 HH22 ARG A 72 52.169 37.699 18.661 1.00 0.00 H new ATOM 1174 N LEU A 73 58.510 38.337 24.979 1.00 0.00 N ATOM 1175 CA LEU A 73 59.852 37.810 25.123 1.00 0.00 C ATOM 1176 C LEU A 73 60.092 36.627 24.182 1.00 0.00 C ATOM 1177 O LEU A 73 59.158 35.915 23.820 1.00 0.00 O ATOM 1178 CB LEU A 73 60.093 37.423 26.580 1.00 0.00 C ATOM 1179 CG LEU A 73 60.031 38.561 27.595 1.00 0.00 C ATOM 1180 CD1 LEU A 73 60.137 38.000 29.010 1.00 0.00 C ATOM 1181 CD2 LEU A 73 61.158 39.574 27.420 1.00 0.00 C ATOM 0 H LEU A 73 57.850 37.937 25.646 1.00 0.00 H new ATOM 0 HA LEU A 73 60.566 38.584 24.842 1.00 0.00 H new ATOM 0 HB2 LEU A 73 59.356 36.671 26.862 1.00 0.00 H new ATOM 0 HB3 LEU A 73 61.073 36.951 26.652 1.00 0.00 H new ATOM 0 HG LEU A 73 59.079 39.065 27.429 1.00 0.00 H new ATOM 0 HD11 LEU A 73 60.092 38.817 29.730 1.00 0.00 H new ATOM 0 HD12 LEU A 73 59.312 37.311 29.191 1.00 0.00 H new ATOM 0 HD13 LEU A 73 61.083 37.470 29.121 1.00 0.00 H new ATOM 0 HD21 LEU A 73 61.061 40.359 28.170 1.00 0.00 H new ATOM 0 HD22 LEU A 73 62.119 39.074 27.541 1.00 0.00 H new ATOM 0 HD23 LEU A 73 61.100 40.014 26.424 1.00 0.00 H new ATOM 1193 N ARG A 74 61.352 36.392 23.830 1.00 0.00 N ATOM 1194 CA ARG A 74 61.816 35.303 22.992 1.00 0.00 C ATOM 1195 C ARG A 74 61.108 35.233 21.637 1.00 0.00 C ATOM 1196 O ARG A 74 60.749 34.156 21.166 1.00 0.00 O ATOM 1197 CB ARG A 74 61.799 33.991 23.769 1.00 0.00 C ATOM 1198 CG ARG A 74 62.518 34.054 25.113 1.00 0.00 C ATOM 1199 CD ARG A 74 62.595 32.693 25.800 1.00 0.00 C ATOM 1200 NE ARG A 74 63.562 31.799 25.162 1.00 0.00 N ATOM 1201 CZ ARG A 74 64.897 31.868 25.249 1.00 0.00 C ATOM 1202 NH1 ARG A 74 65.530 32.718 26.069 1.00 0.00 N ATOM 1203 NH2 ARG A 74 65.638 31.055 24.484 1.00 0.00 N ATOM 0 H ARG A 74 62.115 36.992 24.142 1.00 0.00 H new ATOM 0 HA ARG A 74 62.854 35.506 22.728 1.00 0.00 H new ATOM 0 HB2 ARG A 74 60.764 33.694 23.936 1.00 0.00 H new ATOM 0 HB3 ARG A 74 62.259 33.214 23.159 1.00 0.00 H new ATOM 0 HG2 ARG A 74 63.527 34.440 24.964 1.00 0.00 H new ATOM 0 HG3 ARG A 74 62.001 34.758 25.765 1.00 0.00 H new ATOM 0 HD2 ARG A 74 62.868 32.832 26.846 1.00 0.00 H new ATOM 0 HD3 ARG A 74 61.610 32.227 25.787 1.00 0.00 H new ATOM 0 HE ARG A 74 63.180 31.045 24.592 1.00 0.00 H new ATOM 0 HH11 ARG A 74 64.992 33.350 26.662 1.00 0.00 H new ATOM 0 HH12 ARG A 74 66.549 32.733 26.100 1.00 0.00 H new ATOM 0 HH21 ARG A 74 65.184 30.398 23.849 1.00 0.00 H new ATOM 0 HH22 ARG A 74 66.656 31.093 24.536 1.00 0.00 H new ATOM 1217 N GLY A 75 60.843 36.387 21.030 1.00 0.00 N ATOM 1218 CA GLY A 75 60.001 36.528 19.859 1.00 0.00 C ATOM 1219 C GLY A 75 60.220 37.838 19.099 1.00 0.00 C ATOM 1220 O GLY A 75 59.288 38.616 18.908 1.00 0.00 O ATOM 0 H GLY A 75 61.224 37.275 21.355 1.00 0.00 H new ATOM 0 HA2 GLY A 75 60.188 35.692 19.185 1.00 0.00 H new ATOM 0 HA3 GLY A 75 58.956 36.465 20.164 1.00 0.00 H new ATOM 1224 N GLY A 76 61.463 38.108 18.712 1.00 0.00 N ATOM 1225 CA GLY A 76 61.902 39.328 18.064 1.00 0.00 C ATOM 1226 C GLY A 76 63.382 39.279 17.680 1.00 0.00 C ATOM 1227 O GLY A 76 63.684 38.787 16.572 1.00 0.00 O ATOM 1228 OXT GLY A 76 64.230 39.716 18.490 1.00 0.00 O ATOM 0 H GLY A 76 62.226 37.445 18.851 1.00 0.00 H new ATOM 0 HA2 GLY A 76 61.302 39.499 17.170 1.00 0.00 H new ATOM 0 HA3 GLY A 76 61.729 40.173 18.730 1.00 0.00 H new TER 1232 GLY A 76