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 -37:sc= 0.989 USER MOD Set 1.2: A 57 SER OG : rot -83:sc= 0.525 USER MOD Set 2.1: A 7 THR OG1 : rot 133:sc= 1.51 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 1 MET CE :methyl -170:sc= 0 (180deg=-0.0588) USER MOD Single : A 1 MET N :NH3+ -174:sc= 2.24 (180deg=2.13) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.0266 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.00565 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.396 USER MOD Single : A 25 ASN : amide:sc= -0.549 K(o=-0.55,f=-4.3!) USER MOD Single : A 27 LYS NZ :NH3+ 175:sc= 1.75 (180deg=1.72) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 1.36 (180deg=1.3) USER MOD Single : A 31 GLN : amide:sc= -0.0745 K(o=-0.074,f=-1) USER MOD Single : A 33 LYS NZ :NH3+ -178:sc= 1.18 (180deg=1.17) USER MOD Single : A 40 GLN : amide:sc= -0.0235 X(o=-0.024,f=-0.2) USER MOD Single : A 41 GLN : amide:sc= 1.26 K(o=1.3,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.759 K(o=0.76,f=-5.6!) USER MOD Single : A 59 TYR OH : rot 130:sc= 0.456 USER MOD Single : A 60 ASN : amide:sc= -0.313 X(o=-0.31,f=-0.31) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 75:sc= 1.23 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 32.975 51.765 20.061 1.00 0.00 N ATOM 2 CA MET A 1 33.313 52.128 21.445 1.00 0.00 C ATOM 3 C MET A 1 34.797 52.483 21.556 1.00 0.00 C ATOM 4 O MET A 1 35.620 51.880 20.871 1.00 0.00 O ATOM 5 CB MET A 1 32.931 51.047 22.452 1.00 0.00 C ATOM 6 CG MET A 1 33.670 49.725 22.272 1.00 0.00 C ATOM 7 SD MET A 1 33.149 48.404 23.394 1.00 0.00 S ATOM 8 CE MET A 1 34.333 47.120 22.916 1.00 0.00 C ATOM 0 H1 MET A 1 31.948 51.626 19.980 1.00 0.00 H new ATOM 0 H2 MET A 1 33.273 52.528 19.420 1.00 0.00 H new ATOM 0 H3 MET A 1 33.465 50.885 19.803 1.00 0.00 H new ATOM 0 HA MET A 1 32.719 53.006 21.699 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.122 51.421 23.458 1.00 0.00 H new ATOM 0 HB3 MET A 1 31.859 50.862 22.379 1.00 0.00 H new ATOM 0 HG2 MET A 1 33.533 49.385 21.245 1.00 0.00 H new ATOM 0 HG3 MET A 1 34.737 49.900 22.410 1.00 0.00 H new ATOM 0 HE1 MET A 1 34.050 46.174 23.378 1.00 0.00 H new ATOM 0 HE2 MET A 1 34.332 47.009 21.832 1.00 0.00 H new ATOM 0 HE3 MET A 1 35.331 47.403 23.251 1.00 0.00 H new ATOM 20 N GLN A 2 35.146 53.427 22.426 1.00 0.00 N ATOM 21 CA GLN A 2 36.529 53.727 22.739 1.00 0.00 C ATOM 22 C GLN A 2 37.089 52.754 23.778 1.00 0.00 C ATOM 23 O GLN A 2 36.394 52.418 24.735 1.00 0.00 O ATOM 24 CB GLN A 2 36.721 55.186 23.143 1.00 0.00 C ATOM 25 CG GLN A 2 35.931 55.666 24.357 1.00 0.00 C ATOM 26 CD GLN A 2 36.048 57.183 24.527 1.00 0.00 C ATOM 27 OE1 GLN A 2 36.661 57.692 25.464 1.00 0.00 O ATOM 28 NE2 GLN A 2 35.495 57.971 23.610 1.00 0.00 N ATOM 0 H GLN A 2 34.473 54.003 22.931 1.00 0.00 H new ATOM 0 HA GLN A 2 37.108 53.585 21.827 1.00 0.00 H new ATOM 0 HB2 GLN A 2 37.781 55.349 23.339 1.00 0.00 H new ATOM 0 HB3 GLN A 2 36.454 55.813 22.293 1.00 0.00 H new ATOM 0 HG2 GLN A 2 34.883 55.389 24.245 1.00 0.00 H new ATOM 0 HG3 GLN A 2 36.298 55.167 25.254 1.00 0.00 H new ATOM 0 HE21 GLN A 2 34.984 57.562 22.828 1.00 0.00 H new ATOM 0 HE22 GLN A 2 35.582 58.984 23.689 1.00 0.00 H new ATOM 37 N ILE A 3 38.345 52.349 23.613 1.00 0.00 N ATOM 38 CA ILE A 3 39.115 51.627 24.605 1.00 0.00 C ATOM 39 C ILE A 3 40.512 52.236 24.729 1.00 0.00 C ATOM 40 O ILE A 3 41.001 52.873 23.799 1.00 0.00 O ATOM 41 CB ILE A 3 39.189 50.127 24.339 1.00 0.00 C ATOM 42 CG1 ILE A 3 39.884 49.790 23.022 1.00 0.00 C ATOM 43 CG2 ILE A 3 37.802 49.498 24.436 1.00 0.00 C ATOM 44 CD1 ILE A 3 40.246 48.316 22.855 1.00 0.00 C ATOM 0 H ILE A 3 38.867 52.523 22.754 1.00 0.00 H new ATOM 0 HA ILE A 3 38.590 51.733 25.554 1.00 0.00 H new ATOM 0 HB ILE A 3 39.815 49.690 25.117 1.00 0.00 H new ATOM 0 HG12 ILE A 3 39.236 50.087 22.198 1.00 0.00 H new ATOM 0 HG13 ILE A 3 40.794 50.385 22.943 1.00 0.00 H new ATOM 0 HG21 ILE A 3 37.874 48.428 24.243 1.00 0.00 H new ATOM 0 HG22 ILE A 3 37.398 49.661 25.435 1.00 0.00 H new ATOM 0 HG23 ILE A 3 37.142 49.956 23.699 1.00 0.00 H new ATOM 0 HD11 ILE A 3 40.735 48.168 21.892 1.00 0.00 H new ATOM 0 HD12 ILE A 3 40.922 48.014 23.655 1.00 0.00 H new ATOM 0 HD13 ILE A 3 39.340 47.712 22.898 1.00 0.00 H new ATOM 56 N PHE A 4 41.163 51.994 25.864 1.00 0.00 N ATOM 57 CA PHE A 4 42.482 52.507 26.173 1.00 0.00 C ATOM 58 C PHE A 4 43.489 51.364 26.314 1.00 0.00 C ATOM 59 O PHE A 4 43.197 50.334 26.919 1.00 0.00 O ATOM 60 CB PHE A 4 42.402 53.372 27.427 1.00 0.00 C ATOM 61 CG PHE A 4 41.266 54.366 27.431 1.00 0.00 C ATOM 62 CD1 PHE A 4 41.176 55.336 26.424 1.00 0.00 C ATOM 63 CD2 PHE A 4 40.264 54.284 28.405 1.00 0.00 C ATOM 64 CE1 PHE A 4 40.085 56.211 26.384 1.00 0.00 C ATOM 65 CE2 PHE A 4 39.182 55.171 28.375 1.00 0.00 C ATOM 66 CZ PHE A 4 39.087 56.133 27.362 1.00 0.00 C ATOM 0 H PHE A 4 40.771 51.419 26.610 1.00 0.00 H new ATOM 0 HA PHE A 4 42.838 53.131 25.354 1.00 0.00 H new ATOM 0 HB2 PHE A 4 42.302 52.721 28.296 1.00 0.00 H new ATOM 0 HB3 PHE A 4 43.342 53.913 27.540 1.00 0.00 H new ATOM 0 HD1 PHE A 4 41.952 55.409 25.676 1.00 0.00 H new ATOM 0 HD2 PHE A 4 40.326 53.535 29.181 1.00 0.00 H new ATOM 0 HE1 PHE A 4 40.013 56.948 25.597 1.00 0.00 H new ATOM 0 HE2 PHE A 4 38.418 55.113 29.136 1.00 0.00 H new ATOM 0 HZ PHE A 4 38.247 56.812 27.336 1.00 0.00 H new ATOM 76 N VAL A 5 44.696 51.533 25.781 1.00 0.00 N ATOM 77 CA VAL A 5 45.779 50.578 25.903 1.00 0.00 C ATOM 78 C VAL A 5 46.964 51.263 26.585 1.00 0.00 C ATOM 79 O VAL A 5 47.487 52.255 26.080 1.00 0.00 O ATOM 80 CB VAL A 5 46.144 49.974 24.550 1.00 0.00 C ATOM 81 CG1 VAL A 5 47.218 48.902 24.707 1.00 0.00 C ATOM 82 CG2 VAL A 5 44.938 49.333 23.869 1.00 0.00 C ATOM 0 H VAL A 5 44.948 52.360 25.240 1.00 0.00 H new ATOM 0 HA VAL A 5 45.464 49.738 26.523 1.00 0.00 H new ATOM 0 HB VAL A 5 46.512 50.796 23.936 1.00 0.00 H new ATOM 0 HG11 VAL A 5 47.462 48.486 23.730 1.00 0.00 H new ATOM 0 HG12 VAL A 5 48.112 49.344 25.147 1.00 0.00 H new ATOM 0 HG13 VAL A 5 46.848 48.109 25.357 1.00 0.00 H new ATOM 0 HG21 VAL A 5 45.242 48.915 22.909 1.00 0.00 H new ATOM 0 HG22 VAL A 5 44.543 48.538 24.502 1.00 0.00 H new ATOM 0 HG23 VAL A 5 44.167 50.087 23.709 1.00 0.00 H new ATOM 92 N LYS A 6 47.362 50.752 27.747 1.00 0.00 N ATOM 93 CA LYS A 6 48.419 51.277 28.588 1.00 0.00 C ATOM 94 C LYS A 6 49.722 50.494 28.410 1.00 0.00 C ATOM 95 O LYS A 6 49.730 49.271 28.530 1.00 0.00 O ATOM 96 CB LYS A 6 47.970 51.269 30.046 1.00 0.00 C ATOM 97 CG LYS A 6 47.285 52.550 30.514 1.00 0.00 C ATOM 98 CD LYS A 6 48.284 53.694 30.658 1.00 0.00 C ATOM 99 CE LYS A 6 47.707 54.944 31.317 1.00 0.00 C ATOM 100 NZ LYS A 6 47.629 54.842 32.782 1.00 0.00 N ATOM 0 H LYS A 6 46.930 49.917 28.142 1.00 0.00 H new ATOM 0 HA LYS A 6 48.620 52.305 28.285 1.00 0.00 H new ATOM 0 HB2 LYS A 6 47.287 50.433 30.196 1.00 0.00 H new ATOM 0 HB3 LYS A 6 48.839 51.087 30.678 1.00 0.00 H new ATOM 0 HG2 LYS A 6 46.509 52.830 29.802 1.00 0.00 H new ATOM 0 HG3 LYS A 6 46.792 52.373 31.470 1.00 0.00 H new ATOM 0 HD2 LYS A 6 49.135 53.347 31.244 1.00 0.00 H new ATOM 0 HD3 LYS A 6 48.663 53.958 29.671 1.00 0.00 H new ATOM 0 HE2 LYS A 6 48.322 55.804 31.051 1.00 0.00 H new ATOM 0 HE3 LYS A 6 46.710 55.130 30.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 47.230 55.720 33.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 47.020 54.040 33.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 48.582 54.693 33.171 1.00 0.00 H new ATOM 114 N THR A 7 50.828 51.198 28.196 1.00 0.00 N ATOM 115 CA THR A 7 52.161 50.643 28.329 1.00 0.00 C ATOM 116 C THR A 7 52.521 50.425 29.800 1.00 0.00 C ATOM 117 O THR A 7 51.949 51.049 30.691 1.00 0.00 O ATOM 118 CB THR A 7 53.218 51.542 27.695 1.00 0.00 C ATOM 119 OG1 THR A 7 53.285 52.761 28.401 1.00 0.00 O ATOM 120 CG2 THR A 7 52.959 51.860 26.225 1.00 0.00 C ATOM 0 H THR A 7 50.819 52.181 27.922 1.00 0.00 H new ATOM 0 HA THR A 7 52.151 49.687 27.806 1.00 0.00 H new ATOM 0 HB THR A 7 54.154 50.987 27.749 1.00 0.00 H new ATOM 0 HG1 THR A 7 54.222 52.978 28.590 1.00 0.00 H new ATOM 0 HG21 THR A 7 53.753 52.503 25.846 1.00 0.00 H new ATOM 0 HG22 THR A 7 52.937 50.934 25.651 1.00 0.00 H new ATOM 0 HG23 THR A 7 52.001 52.370 26.126 1.00 0.00 H new ATOM 128 N LEU A 8 53.537 49.610 30.071 1.00 0.00 N ATOM 129 CA LEU A 8 54.104 49.460 31.396 1.00 0.00 C ATOM 130 C LEU A 8 54.693 50.753 31.965 1.00 0.00 C ATOM 131 O LEU A 8 54.828 50.873 33.181 1.00 0.00 O ATOM 132 CB LEU A 8 55.139 48.341 31.378 1.00 0.00 C ATOM 133 CG LEU A 8 54.603 46.949 31.056 1.00 0.00 C ATOM 134 CD1 LEU A 8 55.769 45.971 30.941 1.00 0.00 C ATOM 135 CD2 LEU A 8 53.630 46.424 32.107 1.00 0.00 C ATOM 0 H LEU A 8 53.991 49.031 29.364 1.00 0.00 H new ATOM 0 HA LEU A 8 53.287 49.200 32.069 1.00 0.00 H new ATOM 0 HB2 LEU A 8 55.907 48.593 30.646 1.00 0.00 H new ATOM 0 HB3 LEU A 8 55.626 48.306 32.352 1.00 0.00 H new ATOM 0 HG LEU A 8 54.058 47.032 30.115 1.00 0.00 H new ATOM 0 HD11 LEU A 8 55.388 44.976 30.711 1.00 0.00 H new ATOM 0 HD12 LEU A 8 56.439 46.296 30.145 1.00 0.00 H new ATOM 0 HD13 LEU A 8 56.314 45.942 31.885 1.00 0.00 H new ATOM 0 HD21 LEU A 8 53.285 45.431 31.820 1.00 0.00 H new ATOM 0 HD22 LEU A 8 54.133 46.369 33.073 1.00 0.00 H new ATOM 0 HD23 LEU A 8 52.776 47.097 32.181 1.00 0.00 H new ATOM 147 N THR A 9 54.989 51.746 31.133 1.00 0.00 N ATOM 148 CA THR A 9 55.426 53.071 31.523 1.00 0.00 C ATOM 149 C THR A 9 54.296 54.062 31.812 1.00 0.00 C ATOM 150 O THR A 9 54.561 55.133 32.354 1.00 0.00 O ATOM 151 CB THR A 9 56.337 53.686 30.464 1.00 0.00 C ATOM 152 OG1 THR A 9 55.683 53.738 29.216 1.00 0.00 O ATOM 153 CG2 THR A 9 57.615 52.874 30.276 1.00 0.00 C ATOM 0 H THR A 9 54.926 51.638 30.121 1.00 0.00 H new ATOM 0 HA THR A 9 55.961 52.907 32.458 1.00 0.00 H new ATOM 0 HB THR A 9 56.586 54.688 30.815 1.00 0.00 H new ATOM 0 HG1 THR A 9 56.281 54.136 28.550 1.00 0.00 H new ATOM 0 HG21 THR A 9 58.236 53.345 29.514 1.00 0.00 H new ATOM 0 HG22 THR A 9 58.163 52.835 31.217 1.00 0.00 H new ATOM 0 HG23 THR A 9 57.360 51.862 29.962 1.00 0.00 H new ATOM 161 N GLY A 10 53.048 53.748 31.476 1.00 0.00 N ATOM 162 CA GLY A 10 51.906 54.610 31.702 1.00 0.00 C ATOM 163 C GLY A 10 51.447 55.451 30.508 1.00 0.00 C ATOM 164 O GLY A 10 50.527 56.253 30.651 1.00 0.00 O ATOM 0 H GLY A 10 52.803 52.865 31.029 1.00 0.00 H new ATOM 0 HA2 GLY A 10 51.069 53.992 32.027 1.00 0.00 H new ATOM 0 HA3 GLY A 10 52.143 55.284 32.525 1.00 0.00 H new ATOM 168 N LYS A 11 52.037 55.275 29.329 1.00 0.00 N ATOM 169 CA LYS A 11 51.623 55.925 28.102 1.00 0.00 C ATOM 170 C LYS A 11 50.326 55.299 27.582 1.00 0.00 C ATOM 171 O LYS A 11 50.211 54.075 27.590 1.00 0.00 O ATOM 172 CB LYS A 11 52.750 55.845 27.076 1.00 0.00 C ATOM 173 CG LYS A 11 52.562 56.830 25.925 1.00 0.00 C ATOM 174 CD LYS A 11 53.724 56.775 24.936 1.00 0.00 C ATOM 175 CE LYS A 11 53.490 57.766 23.800 1.00 0.00 C ATOM 176 NZ LYS A 11 54.558 57.689 22.793 1.00 0.00 N ATOM 0 H LYS A 11 52.839 54.657 29.204 1.00 0.00 H new ATOM 0 HA LYS A 11 51.418 56.978 28.293 1.00 0.00 H new ATOM 0 HB2 LYS A 11 53.701 56.045 27.569 1.00 0.00 H new ATOM 0 HB3 LYS A 11 52.804 54.832 26.678 1.00 0.00 H new ATOM 0 HG2 LYS A 11 51.631 56.607 25.404 1.00 0.00 H new ATOM 0 HG3 LYS A 11 52.471 57.841 26.323 1.00 0.00 H new ATOM 0 HD2 LYS A 11 54.658 57.009 25.447 1.00 0.00 H new ATOM 0 HD3 LYS A 11 53.824 55.766 24.535 1.00 0.00 H new ATOM 0 HE2 LYS A 11 52.528 57.562 23.329 1.00 0.00 H new ATOM 0 HE3 LYS A 11 53.439 58.778 24.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 54.370 58.375 22.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 55.472 57.908 23.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 54.589 56.730 22.393 1.00 0.00 H new ATOM 190 N THR A 12 49.372 56.104 27.126 1.00 0.00 N ATOM 191 CA THR A 12 48.093 55.637 26.631 1.00 0.00 C ATOM 192 C THR A 12 47.996 55.722 25.107 1.00 0.00 C ATOM 193 O THR A 12 48.250 56.764 24.505 1.00 0.00 O ATOM 194 CB THR A 12 46.911 56.365 27.265 1.00 0.00 C ATOM 195 OG1 THR A 12 46.959 56.288 28.673 1.00 0.00 O ATOM 196 CG2 THR A 12 45.566 55.756 26.879 1.00 0.00 C ATOM 0 H THR A 12 49.474 57.118 27.092 1.00 0.00 H new ATOM 0 HA THR A 12 48.038 54.589 26.924 1.00 0.00 H new ATOM 0 HB THR A 12 46.991 57.390 26.902 1.00 0.00 H new ATOM 0 HG1 THR A 12 46.191 56.764 29.053 1.00 0.00 H new ATOM 0 HG21 THR A 12 44.762 56.315 27.359 1.00 0.00 H new ATOM 0 HG22 THR A 12 45.443 55.801 25.797 1.00 0.00 H new ATOM 0 HG23 THR A 12 45.530 54.716 27.205 1.00 0.00 H new ATOM 204 N ILE A 13 47.545 54.636 24.488 1.00 0.00 N ATOM 205 CA ILE A 13 47.068 54.574 23.120 1.00 0.00 C ATOM 206 C ILE A 13 45.543 54.449 23.175 1.00 0.00 C ATOM 207 O ILE A 13 45.025 53.510 23.773 1.00 0.00 O ATOM 208 CB ILE A 13 47.703 53.417 22.357 1.00 0.00 C ATOM 209 CG1 ILE A 13 49.228 53.428 22.427 1.00 0.00 C ATOM 210 CG2 ILE A 13 47.243 53.433 20.901 1.00 0.00 C ATOM 211 CD1 ILE A 13 49.880 52.125 21.972 1.00 0.00 C ATOM 0 H ILE A 13 47.502 53.731 24.956 1.00 0.00 H new ATOM 0 HA ILE A 13 47.351 55.476 22.578 1.00 0.00 H new ATOM 0 HB ILE A 13 47.370 52.498 22.839 1.00 0.00 H new ATOM 0 HG12 ILE A 13 49.604 54.245 21.811 1.00 0.00 H new ATOM 0 HG13 ILE A 13 49.533 53.636 23.453 1.00 0.00 H new ATOM 0 HG21 ILE A 13 47.702 52.602 20.365 1.00 0.00 H new ATOM 0 HG22 ILE A 13 46.158 53.335 20.861 1.00 0.00 H new ATOM 0 HG23 ILE A 13 47.540 54.373 20.436 1.00 0.00 H new ATOM 0 HD11 ILE A 13 50.964 52.213 22.052 1.00 0.00 H new ATOM 0 HD12 ILE A 13 49.535 51.306 22.603 1.00 0.00 H new ATOM 0 HD13 ILE A 13 49.607 51.924 20.936 1.00 0.00 H new ATOM 223 N THR A 14 44.819 55.380 22.559 1.00 0.00 N ATOM 224 CA THR A 14 43.375 55.327 22.456 1.00 0.00 C ATOM 225 C THR A 14 42.968 54.700 21.120 1.00 0.00 C ATOM 226 O THR A 14 43.516 55.064 20.082 1.00 0.00 O ATOM 227 CB THR A 14 42.743 56.705 22.626 1.00 0.00 C ATOM 228 OG1 THR A 14 43.100 57.263 23.872 1.00 0.00 O ATOM 229 CG2 THR A 14 41.220 56.623 22.604 1.00 0.00 C ATOM 0 H THR A 14 45.230 56.200 22.114 1.00 0.00 H new ATOM 0 HA THR A 14 43.002 54.703 23.268 1.00 0.00 H new ATOM 0 HB THR A 14 43.104 57.318 21.800 1.00 0.00 H new ATOM 0 HG1 THR A 14 42.688 58.147 23.965 1.00 0.00 H new ATOM 0 HG21 THR A 14 40.800 57.621 22.727 1.00 0.00 H new ATOM 0 HG22 THR A 14 40.892 56.206 21.652 1.00 0.00 H new ATOM 0 HG23 THR A 14 40.878 55.983 23.417 1.00 0.00 H new ATOM 237 N LEU A 15 42.013 53.776 21.139 1.00 0.00 N ATOM 238 CA LEU A 15 41.490 53.098 19.969 1.00 0.00 C ATOM 239 C LEU A 15 39.973 53.268 19.872 1.00 0.00 C ATOM 240 O LEU A 15 39.305 53.530 20.871 1.00 0.00 O ATOM 241 CB LEU A 15 41.856 51.618 20.031 1.00 0.00 C ATOM 242 CG LEU A 15 43.327 51.275 20.247 1.00 0.00 C ATOM 243 CD1 LEU A 15 43.471 49.761 20.375 1.00 0.00 C ATOM 244 CD2 LEU A 15 44.218 51.719 19.091 1.00 0.00 C ATOM 0 H LEU A 15 41.569 53.471 22.005 1.00 0.00 H new ATOM 0 HA LEU A 15 41.934 53.542 19.078 1.00 0.00 H new ATOM 0 HB2 LEU A 15 41.280 51.160 20.835 1.00 0.00 H new ATOM 0 HB3 LEU A 15 41.532 51.150 19.101 1.00 0.00 H new ATOM 0 HG LEU A 15 43.643 51.801 21.148 1.00 0.00 H new ATOM 0 HD11 LEU A 15 44.520 49.507 20.530 1.00 0.00 H new ATOM 0 HD12 LEU A 15 42.884 49.410 21.224 1.00 0.00 H new ATOM 0 HD13 LEU A 15 43.113 49.283 19.463 1.00 0.00 H new ATOM 0 HD21 LEU A 15 45.252 51.447 19.303 1.00 0.00 H new ATOM 0 HD22 LEU A 15 43.895 51.228 18.173 1.00 0.00 H new ATOM 0 HD23 LEU A 15 44.145 52.800 18.969 1.00 0.00 H new ATOM 256 N GLU A 16 39.414 53.059 18.684 1.00 0.00 N ATOM 257 CA GLU A 16 37.995 52.874 18.459 1.00 0.00 C ATOM 258 C GLU A 16 37.734 51.484 17.875 1.00 0.00 C ATOM 259 O GLU A 16 38.354 51.076 16.895 1.00 0.00 O ATOM 260 CB GLU A 16 37.457 53.994 17.573 1.00 0.00 C ATOM 261 CG GLU A 16 35.933 54.071 17.521 1.00 0.00 C ATOM 262 CD GLU A 16 35.272 54.556 18.813 1.00 0.00 C ATOM 263 OE1 GLU A 16 35.850 55.406 19.526 1.00 0.00 O ATOM 264 OE2 GLU A 16 34.135 54.119 19.091 1.00 0.00 O ATOM 0 H GLU A 16 39.961 53.013 17.824 1.00 0.00 H new ATOM 0 HA GLU A 16 37.459 52.929 19.407 1.00 0.00 H new ATOM 0 HB2 GLU A 16 37.846 54.946 17.933 1.00 0.00 H new ATOM 0 HB3 GLU A 16 37.838 53.857 16.561 1.00 0.00 H new ATOM 0 HG2 GLU A 16 35.644 54.738 16.709 1.00 0.00 H new ATOM 0 HG3 GLU A 16 35.541 53.084 17.277 1.00 0.00 H new ATOM 271 N VAL A 17 36.863 50.718 18.525 1.00 0.00 N ATOM 272 CA VAL A 17 36.659 49.301 18.300 1.00 0.00 C ATOM 273 C VAL A 17 35.180 48.918 18.394 1.00 0.00 C ATOM 274 O VAL A 17 34.362 49.676 18.910 1.00 0.00 O ATOM 275 CB VAL A 17 37.470 48.458 19.280 1.00 0.00 C ATOM 276 CG1 VAL A 17 38.975 48.660 19.122 1.00 0.00 C ATOM 277 CG2 VAL A 17 37.085 48.735 20.730 1.00 0.00 C ATOM 0 H VAL A 17 36.255 51.090 19.255 1.00 0.00 H new ATOM 0 HA VAL A 17 37.006 49.094 17.287 1.00 0.00 H new ATOM 0 HB VAL A 17 37.229 47.424 19.035 1.00 0.00 H new ATOM 0 HG11 VAL A 17 39.503 48.037 19.843 1.00 0.00 H new ATOM 0 HG12 VAL A 17 39.276 48.381 18.112 1.00 0.00 H new ATOM 0 HG13 VAL A 17 39.222 49.707 19.298 1.00 0.00 H new ATOM 0 HG21 VAL A 17 37.688 48.113 21.392 1.00 0.00 H new ATOM 0 HG22 VAL A 17 37.262 49.786 20.959 1.00 0.00 H new ATOM 0 HG23 VAL A 17 36.030 48.504 20.877 1.00 0.00 H new ATOM 287 N GLU A 18 34.848 47.705 17.963 1.00 0.00 N ATOM 288 CA GLU A 18 33.584 47.052 18.239 1.00 0.00 C ATOM 289 C GLU A 18 33.782 45.836 19.147 1.00 0.00 C ATOM 290 O GLU A 18 34.835 45.205 19.080 1.00 0.00 O ATOM 291 CB GLU A 18 32.939 46.610 16.928 1.00 0.00 C ATOM 292 CG GLU A 18 32.190 47.722 16.197 1.00 0.00 C ATOM 293 CD GLU A 18 30.809 47.934 16.818 1.00 0.00 C ATOM 294 OE1 GLU A 18 29.903 47.110 16.570 1.00 0.00 O ATOM 295 OE2 GLU A 18 30.611 48.907 17.577 1.00 0.00 O ATOM 0 H GLU A 18 35.475 47.136 17.394 1.00 0.00 H new ATOM 0 HA GLU A 18 32.935 47.763 18.750 1.00 0.00 H new ATOM 0 HB2 GLU A 18 33.713 46.214 16.270 1.00 0.00 H new ATOM 0 HB3 GLU A 18 32.246 45.794 17.133 1.00 0.00 H new ATOM 0 HG2 GLU A 18 32.763 48.648 16.246 1.00 0.00 H new ATOM 0 HG3 GLU A 18 32.086 47.466 15.142 1.00 0.00 H new ATOM 302 N PRO A 19 32.788 45.412 19.921 1.00 0.00 N ATOM 303 CA PRO A 19 32.800 44.143 20.619 1.00 0.00 C ATOM 304 C PRO A 19 33.066 42.919 19.739 1.00 0.00 C ATOM 305 O PRO A 19 33.495 41.878 20.232 1.00 0.00 O ATOM 306 CB PRO A 19 31.435 44.034 21.292 1.00 0.00 C ATOM 307 CG PRO A 19 31.012 45.487 21.498 1.00 0.00 C ATOM 308 CD PRO A 19 31.609 46.178 20.276 1.00 0.00 C ATOM 0 HA PRO A 19 33.633 44.137 21.322 1.00 0.00 H new ATOM 0 HB2 PRO A 19 30.723 43.495 20.667 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.498 43.498 22.239 1.00 0.00 H new ATOM 0 HG2 PRO A 19 29.928 45.593 21.536 1.00 0.00 H new ATOM 0 HG3 PRO A 19 31.405 45.896 22.429 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.895 46.200 19.452 1.00 0.00 H new ATOM 0 HD3 PRO A 19 31.869 47.213 20.501 1.00 0.00 H new ATOM 316 N SER A 20 32.818 43.045 18.438 1.00 0.00 N ATOM 317 CA SER A 20 33.081 42.074 17.396 1.00 0.00 C ATOM 318 C SER A 20 34.506 42.085 16.838 1.00 0.00 C ATOM 319 O SER A 20 34.854 41.165 16.102 1.00 0.00 O ATOM 320 CB SER A 20 32.086 42.316 16.264 1.00 0.00 C ATOM 321 OG SER A 20 32.264 43.610 15.732 1.00 0.00 O ATOM 0 H SER A 20 32.396 43.895 18.064 1.00 0.00 H new ATOM 0 HA SER A 20 32.966 41.090 17.851 1.00 0.00 H new ATOM 0 HB2 SER A 20 32.225 41.570 15.481 1.00 0.00 H new ATOM 0 HB3 SER A 20 31.067 42.203 16.634 1.00 0.00 H new ATOM 0 HG SER A 20 31.623 43.756 15.005 1.00 0.00 H new ATOM 327 N ASP A 21 35.333 43.079 17.149 1.00 0.00 N ATOM 328 CA ASP A 21 36.698 43.146 16.668 1.00 0.00 C ATOM 329 C ASP A 21 37.580 42.078 17.316 1.00 0.00 C ATOM 330 O ASP A 21 37.477 41.803 18.509 1.00 0.00 O ATOM 331 CB ASP A 21 37.332 44.520 16.870 1.00 0.00 C ATOM 332 CG ASP A 21 36.903 45.576 15.849 1.00 0.00 C ATOM 333 OD1 ASP A 21 36.509 45.221 14.717 1.00 0.00 O ATOM 334 OD2 ASP A 21 36.993 46.784 16.159 1.00 0.00 O ATOM 0 H ASP A 21 35.068 43.862 17.746 1.00 0.00 H new ATOM 0 HA ASP A 21 36.638 42.958 15.596 1.00 0.00 H new ATOM 0 HB2 ASP A 21 37.083 44.877 17.869 1.00 0.00 H new ATOM 0 HB3 ASP A 21 38.416 44.415 16.830 1.00 0.00 H new ATOM 339 N THR A 22 38.469 41.497 16.515 1.00 0.00 N ATOM 340 CA THR A 22 39.439 40.510 16.943 1.00 0.00 C ATOM 341 C THR A 22 40.625 41.147 17.670 1.00 0.00 C ATOM 342 O THR A 22 40.987 42.291 17.406 1.00 0.00 O ATOM 343 CB THR A 22 39.963 39.662 15.789 1.00 0.00 C ATOM 344 OG1 THR A 22 40.613 40.469 14.832 1.00 0.00 O ATOM 345 CG2 THR A 22 38.852 38.893 15.081 1.00 0.00 C ATOM 0 H THR A 22 38.531 41.711 15.520 1.00 0.00 H new ATOM 0 HA THR A 22 38.901 39.861 17.634 1.00 0.00 H new ATOM 0 HB THR A 22 40.661 38.950 16.229 1.00 0.00 H new ATOM 0 HG1 THR A 22 40.944 39.907 14.100 1.00 0.00 H new ATOM 0 HG21 THR A 22 39.278 38.305 14.268 1.00 0.00 H new ATOM 0 HG22 THR A 22 38.360 38.228 15.791 1.00 0.00 H new ATOM 0 HG23 THR A 22 38.123 39.596 14.678 1.00 0.00 H new ATOM 353 N ILE A 23 41.300 40.380 18.522 1.00 0.00 N ATOM 354 CA ILE A 23 42.519 40.831 19.162 1.00 0.00 C ATOM 355 C ILE A 23 43.613 41.110 18.130 1.00 0.00 C ATOM 356 O ILE A 23 44.376 42.057 18.306 1.00 0.00 O ATOM 357 CB ILE A 23 42.960 39.848 20.243 1.00 0.00 C ATOM 358 CG1 ILE A 23 41.884 39.553 21.284 1.00 0.00 C ATOM 359 CG2 ILE A 23 44.245 40.294 20.936 1.00 0.00 C ATOM 360 CD1 ILE A 23 41.268 40.751 22.000 1.00 0.00 C ATOM 0 H ILE A 23 41.015 39.436 18.783 1.00 0.00 H new ATOM 0 HA ILE A 23 42.319 41.779 19.662 1.00 0.00 H new ATOM 0 HB ILE A 23 43.151 38.918 19.707 1.00 0.00 H new ATOM 0 HG12 ILE A 23 41.081 39.001 20.795 1.00 0.00 H new ATOM 0 HG13 ILE A 23 42.313 38.892 22.037 1.00 0.00 H new ATOM 0 HG21 ILE A 23 44.520 39.564 21.697 1.00 0.00 H new ATOM 0 HG22 ILE A 23 45.046 40.372 20.201 1.00 0.00 H new ATOM 0 HG23 ILE A 23 44.087 41.265 21.405 1.00 0.00 H new ATOM 0 HD11 ILE A 23 40.519 40.404 22.712 1.00 0.00 H new ATOM 0 HD12 ILE A 23 42.047 41.298 22.531 1.00 0.00 H new ATOM 0 HD13 ILE A 23 40.797 41.409 21.270 1.00 0.00 H new ATOM 372 N GLU A 24 43.666 40.387 17.015 1.00 0.00 N ATOM 373 CA GLU A 24 44.591 40.703 15.945 1.00 0.00 C ATOM 374 C GLU A 24 44.229 41.987 15.196 1.00 0.00 C ATOM 375 O GLU A 24 45.134 42.735 14.831 1.00 0.00 O ATOM 376 CB GLU A 24 44.780 39.501 15.025 1.00 0.00 C ATOM 377 CG GLU A 24 45.946 39.708 14.063 1.00 0.00 C ATOM 378 CD GLU A 24 46.346 38.410 13.360 1.00 0.00 C ATOM 379 OE1 GLU A 24 45.746 38.074 12.317 1.00 0.00 O ATOM 380 OE2 GLU A 24 47.292 37.739 13.830 1.00 0.00 O ATOM 0 H GLU A 24 43.074 39.576 16.834 1.00 0.00 H new ATOM 0 HA GLU A 24 45.557 40.918 16.401 1.00 0.00 H new ATOM 0 HB2 GLU A 24 44.956 38.608 15.624 1.00 0.00 H new ATOM 0 HB3 GLU A 24 43.865 39.329 14.457 1.00 0.00 H new ATOM 0 HG2 GLU A 24 45.673 40.455 13.317 1.00 0.00 H new ATOM 0 HG3 GLU A 24 46.802 40.103 14.610 1.00 0.00 H new ATOM 387 N ASN A 25 42.954 42.331 15.040 1.00 0.00 N ATOM 388 CA ASN A 25 42.567 43.634 14.539 1.00 0.00 C ATOM 389 C ASN A 25 42.935 44.758 15.510 1.00 0.00 C ATOM 390 O ASN A 25 43.424 45.796 15.073 1.00 0.00 O ATOM 391 CB ASN A 25 41.089 43.662 14.163 1.00 0.00 C ATOM 392 CG ASN A 25 40.683 45.031 13.614 1.00 0.00 C ATOM 393 OD1 ASN A 25 39.992 45.815 14.261 1.00 0.00 O ATOM 394 ND2 ASN A 25 41.141 45.382 12.415 1.00 0.00 N ATOM 0 H ASN A 25 42.170 41.716 15.257 1.00 0.00 H new ATOM 0 HA ASN A 25 43.139 43.816 13.629 1.00 0.00 H new ATOM 0 HB2 ASN A 25 40.886 42.894 13.417 1.00 0.00 H new ATOM 0 HB3 ASN A 25 40.484 43.424 15.038 1.00 0.00 H new ATOM 0 HD21 ASN A 25 40.919 46.301 12.033 1.00 0.00 H new ATOM 0 HD22 ASN A 25 41.714 44.732 11.878 1.00 0.00 H new ATOM 401 N VAL A 26 42.804 44.551 16.817 1.00 0.00 N ATOM 402 CA VAL A 26 43.286 45.489 17.811 1.00 0.00 C ATOM 403 C VAL A 26 44.800 45.685 17.711 1.00 0.00 C ATOM 404 O VAL A 26 45.259 46.824 17.685 1.00 0.00 O ATOM 405 CB VAL A 26 42.835 45.083 19.212 1.00 0.00 C ATOM 406 CG1 VAL A 26 43.437 45.956 20.308 1.00 0.00 C ATOM 407 CG2 VAL A 26 41.318 45.187 19.339 1.00 0.00 C ATOM 0 H VAL A 26 42.358 43.723 17.212 1.00 0.00 H new ATOM 0 HA VAL A 26 42.838 46.461 17.605 1.00 0.00 H new ATOM 0 HB VAL A 26 43.179 44.057 19.343 1.00 0.00 H new ATOM 0 HG11 VAL A 26 43.079 45.618 21.280 1.00 0.00 H new ATOM 0 HG12 VAL A 26 44.524 45.882 20.276 1.00 0.00 H new ATOM 0 HG13 VAL A 26 43.139 46.993 20.152 1.00 0.00 H new ATOM 0 HG21 VAL A 26 41.016 44.894 20.344 1.00 0.00 H new ATOM 0 HG22 VAL A 26 41.007 46.215 19.152 1.00 0.00 H new ATOM 0 HG23 VAL A 26 40.846 44.527 18.611 1.00 0.00 H new ATOM 417 N LYS A 27 45.577 44.619 17.540 1.00 0.00 N ATOM 418 CA LYS A 27 47.001 44.711 17.283 1.00 0.00 C ATOM 419 C LYS A 27 47.325 45.472 15.996 1.00 0.00 C ATOM 420 O LYS A 27 48.254 46.275 15.989 1.00 0.00 O ATOM 421 CB LYS A 27 47.634 43.324 17.213 1.00 0.00 C ATOM 422 CG LYS A 27 47.750 42.575 18.538 1.00 0.00 C ATOM 423 CD LYS A 27 48.334 41.194 18.258 1.00 0.00 C ATOM 424 CE LYS A 27 48.841 40.479 19.506 1.00 0.00 C ATOM 425 NZ LYS A 27 49.626 39.300 19.108 1.00 0.00 N ATOM 0 H LYS A 27 45.228 43.661 17.577 1.00 0.00 H new ATOM 0 HA LYS A 27 47.420 45.270 18.119 1.00 0.00 H new ATOM 0 HB2 LYS A 27 47.050 42.714 16.523 1.00 0.00 H new ATOM 0 HB3 LYS A 27 48.632 43.423 16.785 1.00 0.00 H new ATOM 0 HG2 LYS A 27 48.389 43.124 19.230 1.00 0.00 H new ATOM 0 HG3 LYS A 27 46.772 42.485 19.010 1.00 0.00 H new ATOM 0 HD2 LYS A 27 47.573 40.577 17.781 1.00 0.00 H new ATOM 0 HD3 LYS A 27 49.155 41.293 17.548 1.00 0.00 H new ATOM 0 HE2 LYS A 27 49.455 41.155 20.101 1.00 0.00 H new ATOM 0 HE3 LYS A 27 48.001 40.176 20.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 50.043 38.859 19.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 49.006 38.615 18.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 50.385 39.591 18.459 1.00 0.00 H new ATOM 439 N ALA A 28 46.574 45.252 14.920 1.00 0.00 N ATOM 440 CA ALA A 28 46.745 45.957 13.666 1.00 0.00 C ATOM 441 C ALA A 28 46.401 47.443 13.778 1.00 0.00 C ATOM 442 O ALA A 28 47.131 48.281 13.252 1.00 0.00 O ATOM 443 CB ALA A 28 45.911 45.262 12.592 1.00 0.00 C ATOM 0 H ALA A 28 45.819 44.566 14.901 1.00 0.00 H new ATOM 0 HA ALA A 28 47.798 45.922 13.387 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.032 45.784 11.643 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.245 44.230 12.483 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.860 45.275 12.882 1.00 0.00 H new ATOM 449 N LYS A 29 45.366 47.803 14.532 1.00 0.00 N ATOM 450 CA LYS A 29 45.029 49.179 14.837 1.00 0.00 C ATOM 451 C LYS A 29 46.141 49.869 15.630 1.00 0.00 C ATOM 452 O LYS A 29 46.442 51.025 15.342 1.00 0.00 O ATOM 453 CB LYS A 29 43.690 49.243 15.564 1.00 0.00 C ATOM 454 CG LYS A 29 42.500 49.030 14.631 1.00 0.00 C ATOM 455 CD LYS A 29 41.190 48.916 15.405 1.00 0.00 C ATOM 456 CE LYS A 29 40.016 48.919 14.430 1.00 0.00 C ATOM 457 NZ LYS A 29 38.708 48.844 15.100 1.00 0.00 N ATOM 0 H LYS A 29 44.729 47.128 14.954 1.00 0.00 H new ATOM 0 HA LYS A 29 44.932 49.725 13.899 1.00 0.00 H new ATOM 0 HB2 LYS A 29 43.671 48.486 16.348 1.00 0.00 H new ATOM 0 HB3 LYS A 29 43.593 50.212 16.053 1.00 0.00 H new ATOM 0 HG2 LYS A 29 42.436 49.860 13.927 1.00 0.00 H new ATOM 0 HG3 LYS A 29 42.656 48.125 14.043 1.00 0.00 H new ATOM 0 HD2 LYS A 29 41.183 47.999 15.995 1.00 0.00 H new ATOM 0 HD3 LYS A 29 41.096 49.746 16.105 1.00 0.00 H new ATOM 0 HE2 LYS A 29 40.056 49.825 13.825 1.00 0.00 H new ATOM 0 HE3 LYS A 29 40.117 48.075 13.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 37.951 48.969 14.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 38.606 47.916 15.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 38.642 49.594 15.818 1.00 0.00 H new ATOM 471 N ILE A 30 46.799 49.172 16.552 1.00 0.00 N ATOM 472 CA ILE A 30 47.976 49.655 17.247 1.00 0.00 C ATOM 473 C ILE A 30 49.148 49.843 16.282 1.00 0.00 C ATOM 474 O ILE A 30 49.778 50.898 16.306 1.00 0.00 O ATOM 475 CB ILE A 30 48.312 48.761 18.436 1.00 0.00 C ATOM 476 CG1 ILE A 30 47.236 48.860 19.513 1.00 0.00 C ATOM 477 CG2 ILE A 30 49.677 49.085 19.037 1.00 0.00 C ATOM 478 CD1 ILE A 30 47.255 47.721 20.528 1.00 0.00 C ATOM 0 H ILE A 30 46.518 48.235 16.839 1.00 0.00 H new ATOM 0 HA ILE A 30 47.760 50.642 17.657 1.00 0.00 H new ATOM 0 HB ILE A 30 48.349 47.740 18.057 1.00 0.00 H new ATOM 0 HG12 ILE A 30 47.355 49.805 20.043 1.00 0.00 H new ATOM 0 HG13 ILE A 30 46.258 48.886 19.032 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.870 48.422 19.880 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.450 48.945 18.281 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.687 50.120 19.380 1.00 0.00 H new ATOM 0 HD11 ILE A 30 46.458 47.870 21.257 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.103 46.772 20.013 1.00 0.00 H new ATOM 0 HD13 ILE A 30 48.217 47.706 21.040 1.00 0.00 H new ATOM 490 N GLN A 31 49.424 48.888 15.398 1.00 0.00 N ATOM 491 CA GLN A 31 50.475 48.993 14.406 1.00 0.00 C ATOM 492 C GLN A 31 50.299 50.224 13.515 1.00 0.00 C ATOM 493 O GLN A 31 51.266 50.937 13.256 1.00 0.00 O ATOM 494 CB GLN A 31 50.534 47.726 13.557 1.00 0.00 C ATOM 495 CG GLN A 31 51.761 47.697 12.651 1.00 0.00 C ATOM 496 CD GLN A 31 51.765 46.554 11.633 1.00 0.00 C ATOM 497 OE1 GLN A 31 50.794 45.825 11.444 1.00 0.00 O ATOM 498 NE2 GLN A 31 52.874 46.351 10.928 1.00 0.00 N ATOM 0 H GLN A 31 48.912 48.007 15.355 1.00 0.00 H new ATOM 0 HA GLN A 31 51.418 49.108 14.940 1.00 0.00 H new ATOM 0 HB2 GLN A 31 50.546 46.853 14.210 1.00 0.00 H new ATOM 0 HB3 GLN A 31 49.633 47.656 12.948 1.00 0.00 H new ATOM 0 HG2 GLN A 31 51.826 48.645 12.116 1.00 0.00 H new ATOM 0 HG3 GLN A 31 52.654 47.619 13.271 1.00 0.00 H new ATOM 0 HE21 GLN A 31 53.688 46.948 11.074 1.00 0.00 H new ATOM 0 HE22 GLN A 31 52.911 45.598 10.241 1.00 0.00 H new ATOM 507 N ASP A 32 49.080 50.507 13.064 1.00 0.00 N ATOM 508 CA ASP A 32 48.827 51.585 12.129 1.00 0.00 C ATOM 509 C ASP A 32 49.143 52.983 12.664 1.00 0.00 C ATOM 510 O ASP A 32 49.439 53.871 11.869 1.00 0.00 O ATOM 511 CB ASP A 32 47.388 51.489 11.629 1.00 0.00 C ATOM 512 CG ASP A 32 47.155 52.330 10.373 1.00 0.00 C ATOM 513 OD1 ASP A 32 46.250 53.192 10.370 1.00 0.00 O ATOM 514 OD2 ASP A 32 47.872 52.124 9.370 1.00 0.00 O ATOM 0 H ASP A 32 48.244 49.992 13.340 1.00 0.00 H new ATOM 0 HA ASP A 32 49.524 51.452 11.301 1.00 0.00 H new ATOM 0 HB2 ASP A 32 47.148 50.447 11.416 1.00 0.00 H new ATOM 0 HB3 ASP A 32 46.709 51.818 12.416 1.00 0.00 H new ATOM 519 N LYS A 33 49.125 53.162 13.982 1.00 0.00 N ATOM 520 CA LYS A 33 49.425 54.409 14.657 1.00 0.00 C ATOM 521 C LYS A 33 50.701 54.451 15.498 1.00 0.00 C ATOM 522 O LYS A 33 51.207 55.548 15.724 1.00 0.00 O ATOM 523 CB LYS A 33 48.192 54.915 15.399 1.00 0.00 C ATOM 524 CG LYS A 33 47.761 54.080 16.601 1.00 0.00 C ATOM 525 CD LYS A 33 46.385 54.468 17.134 1.00 0.00 C ATOM 526 CE LYS A 33 46.347 55.896 17.672 1.00 0.00 C ATOM 527 NZ LYS A 33 44.990 56.300 18.072 1.00 0.00 N ATOM 0 H LYS A 33 48.891 52.409 14.629 1.00 0.00 H new ATOM 0 HA LYS A 33 49.677 55.109 13.860 1.00 0.00 H new ATOM 0 HB2 LYS A 33 48.385 55.933 15.736 1.00 0.00 H new ATOM 0 HB3 LYS A 33 47.361 54.964 14.696 1.00 0.00 H new ATOM 0 HG2 LYS A 33 47.752 53.027 16.320 1.00 0.00 H new ATOM 0 HG3 LYS A 33 48.497 54.192 17.397 1.00 0.00 H new ATOM 0 HD2 LYS A 33 45.648 54.364 16.338 1.00 0.00 H new ATOM 0 HD3 LYS A 33 46.098 53.777 17.927 1.00 0.00 H new ATOM 0 HE2 LYS A 33 47.017 55.978 18.528 1.00 0.00 H new ATOM 0 HE3 LYS A 33 46.719 56.580 16.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 45.004 57.287 18.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 44.348 56.214 17.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 44.657 55.685 18.842 1.00 0.00 H new ATOM 541 N GLU A 34 51.259 53.326 15.940 1.00 0.00 N ATOM 542 CA GLU A 34 52.461 53.257 16.747 1.00 0.00 C ATOM 543 C GLU A 34 53.560 52.340 16.208 1.00 0.00 C ATOM 544 O GLU A 34 54.622 52.231 16.817 1.00 0.00 O ATOM 545 CB GLU A 34 52.103 52.889 18.184 1.00 0.00 C ATOM 546 CG GLU A 34 51.422 54.008 18.968 1.00 0.00 C ATOM 547 CD GLU A 34 52.302 55.240 19.185 1.00 0.00 C ATOM 548 OE1 GLU A 34 53.507 55.094 19.480 1.00 0.00 O ATOM 549 OE2 GLU A 34 51.793 56.379 19.091 1.00 0.00 O ATOM 0 H GLU A 34 50.867 52.407 15.735 1.00 0.00 H new ATOM 0 HA GLU A 34 52.896 54.256 16.706 1.00 0.00 H new ATOM 0 HB2 GLU A 34 51.447 52.019 18.171 1.00 0.00 H new ATOM 0 HB3 GLU A 34 53.012 52.595 18.709 1.00 0.00 H new ATOM 0 HG2 GLU A 34 50.517 54.309 18.440 1.00 0.00 H new ATOM 0 HG3 GLU A 34 51.111 53.621 19.938 1.00 0.00 H new ATOM 556 N GLY A 35 53.348 51.681 15.072 1.00 0.00 N ATOM 557 CA GLY A 35 54.361 50.989 14.300 1.00 0.00 C ATOM 558 C GLY A 35 54.711 49.561 14.721 1.00 0.00 C ATOM 559 O GLY A 35 55.190 48.796 13.887 1.00 0.00 O ATOM 0 H GLY A 35 52.421 51.615 14.651 1.00 0.00 H new ATOM 0 HA2 GLY A 35 54.034 50.963 13.261 1.00 0.00 H new ATOM 0 HA3 GLY A 35 55.274 51.583 14.332 1.00 0.00 H new ATOM 563 N ILE A 36 54.437 49.162 15.960 1.00 0.00 N ATOM 564 CA ILE A 36 54.797 47.870 16.506 1.00 0.00 C ATOM 565 C ILE A 36 53.998 46.771 15.803 1.00 0.00 C ATOM 566 O ILE A 36 52.772 46.791 15.889 1.00 0.00 O ATOM 567 CB ILE A 36 54.569 47.838 18.015 1.00 0.00 C ATOM 568 CG1 ILE A 36 55.302 48.957 18.750 1.00 0.00 C ATOM 569 CG2 ILE A 36 55.002 46.491 18.587 1.00 0.00 C ATOM 570 CD1 ILE A 36 54.823 49.166 20.184 1.00 0.00 C ATOM 0 H ILE A 36 53.942 49.753 16.628 1.00 0.00 H new ATOM 0 HA ILE A 36 55.858 47.694 16.331 1.00 0.00 H new ATOM 0 HB ILE A 36 53.501 47.988 18.170 1.00 0.00 H new ATOM 0 HG12 ILE A 36 56.369 48.734 18.762 1.00 0.00 H new ATOM 0 HG13 ILE A 36 55.177 49.887 18.195 1.00 0.00 H new ATOM 0 HG21 ILE A 36 54.834 46.482 19.664 1.00 0.00 H new ATOM 0 HG22 ILE A 36 54.421 45.695 18.122 1.00 0.00 H new ATOM 0 HG23 ILE A 36 56.061 46.333 18.384 1.00 0.00 H new ATOM 0 HD11 ILE A 36 55.389 49.977 20.642 1.00 0.00 H new ATOM 0 HD12 ILE A 36 53.763 49.421 20.180 1.00 0.00 H new ATOM 0 HD13 ILE A 36 54.974 48.250 20.755 1.00 0.00 H new ATOM 582 N PRO A 37 54.609 45.797 15.136 1.00 0.00 N ATOM 583 CA PRO A 37 53.880 44.786 14.396 1.00 0.00 C ATOM 584 C PRO A 37 53.187 43.769 15.304 1.00 0.00 C ATOM 585 O PRO A 37 53.662 43.535 16.414 1.00 0.00 O ATOM 586 CB PRO A 37 54.902 44.137 13.467 1.00 0.00 C ATOM 587 CG PRO A 37 56.202 44.272 14.253 1.00 0.00 C ATOM 588 CD PRO A 37 56.036 45.615 14.957 1.00 0.00 C ATOM 0 HA PRO A 37 53.061 45.233 13.832 1.00 0.00 H new ATOM 0 HB2 PRO A 37 54.659 43.094 13.263 1.00 0.00 H new ATOM 0 HB3 PRO A 37 54.956 44.646 12.505 1.00 0.00 H new ATOM 0 HG2 PRO A 37 56.331 43.456 14.964 1.00 0.00 H new ATOM 0 HG3 PRO A 37 57.073 44.264 13.598 1.00 0.00 H new ATOM 0 HD2 PRO A 37 56.554 45.620 15.916 1.00 0.00 H new ATOM 0 HD3 PRO A 37 56.461 46.423 14.362 1.00 0.00 H new ATOM 596 N PRO A 38 52.099 43.134 14.877 1.00 0.00 N ATOM 597 CA PRO A 38 51.310 42.230 15.690 1.00 0.00 C ATOM 598 C PRO A 38 52.064 41.105 16.401 1.00 0.00 C ATOM 599 O PRO A 38 51.691 40.762 17.521 1.00 0.00 O ATOM 600 CB PRO A 38 50.251 41.658 14.752 1.00 0.00 C ATOM 601 CG PRO A 38 49.998 42.812 13.786 1.00 0.00 C ATOM 602 CD PRO A 38 51.383 43.439 13.656 1.00 0.00 C ATOM 0 HA PRO A 38 50.906 42.802 16.526 1.00 0.00 H new ATOM 0 HB2 PRO A 38 50.607 40.768 14.234 1.00 0.00 H new ATOM 0 HB3 PRO A 38 49.346 41.374 15.289 1.00 0.00 H new ATOM 0 HG2 PRO A 38 49.618 42.462 12.826 1.00 0.00 H new ATOM 0 HG3 PRO A 38 49.267 43.519 14.180 1.00 0.00 H new ATOM 0 HD2 PRO A 38 51.909 43.038 12.790 1.00 0.00 H new ATOM 0 HD3 PRO A 38 51.307 44.517 13.512 1.00 0.00 H new ATOM 610 N ASP A 39 53.131 40.560 15.824 1.00 0.00 N ATOM 611 CA ASP A 39 53.910 39.528 16.479 1.00 0.00 C ATOM 612 C ASP A 39 54.749 40.041 17.650 1.00 0.00 C ATOM 613 O ASP A 39 55.059 39.273 18.558 1.00 0.00 O ATOM 614 CB ASP A 39 54.727 38.723 15.474 1.00 0.00 C ATOM 615 CG ASP A 39 56.211 39.097 15.431 1.00 0.00 C ATOM 616 OD1 ASP A 39 56.544 40.172 14.887 1.00 0.00 O ATOM 617 OD2 ASP A 39 57.039 38.300 15.921 1.00 0.00 O ATOM 0 H ASP A 39 53.473 40.821 14.899 1.00 0.00 H new ATOM 0 HA ASP A 39 53.191 38.845 16.932 1.00 0.00 H new ATOM 0 HB2 ASP A 39 54.637 37.664 15.715 1.00 0.00 H new ATOM 0 HB3 ASP A 39 54.300 38.861 14.481 1.00 0.00 H new ATOM 622 N GLN A 40 55.072 41.331 17.707 1.00 0.00 N ATOM 623 CA GLN A 40 55.788 41.931 18.813 1.00 0.00 C ATOM 624 C GLN A 40 54.879 42.323 19.979 1.00 0.00 C ATOM 625 O GLN A 40 55.391 42.687 21.035 1.00 0.00 O ATOM 626 CB GLN A 40 56.626 43.109 18.323 1.00 0.00 C ATOM 627 CG GLN A 40 57.808 42.660 17.470 1.00 0.00 C ATOM 628 CD GLN A 40 58.661 43.816 16.946 1.00 0.00 C ATOM 629 OE1 GLN A 40 58.821 44.857 17.580 1.00 0.00 O ATOM 630 NE2 GLN A 40 59.243 43.682 15.757 1.00 0.00 N ATOM 0 H GLN A 40 54.836 41.994 16.969 1.00 0.00 H new ATOM 0 HA GLN A 40 56.458 41.170 19.213 1.00 0.00 H new ATOM 0 HB2 GLN A 40 55.997 43.784 17.743 1.00 0.00 H new ATOM 0 HB3 GLN A 40 56.993 43.673 19.180 1.00 0.00 H new ATOM 0 HG2 GLN A 40 58.438 41.993 18.059 1.00 0.00 H new ATOM 0 HG3 GLN A 40 57.436 42.082 16.624 1.00 0.00 H new ATOM 0 HE21 GLN A 40 59.118 42.823 15.222 1.00 0.00 H new ATOM 0 HE22 GLN A 40 59.815 44.438 15.381 1.00 0.00 H new ATOM 639 N GLN A 41 53.558 42.238 19.838 1.00 0.00 N ATOM 640 CA GLN A 41 52.600 42.668 20.836 1.00 0.00 C ATOM 641 C GLN A 41 52.023 41.514 21.658 1.00 0.00 C ATOM 642 O GLN A 41 51.583 40.515 21.093 1.00 0.00 O ATOM 643 CB GLN A 41 51.457 43.430 20.172 1.00 0.00 C ATOM 644 CG GLN A 41 51.848 44.683 19.395 1.00 0.00 C ATOM 645 CD GLN A 41 50.618 45.357 18.785 1.00 0.00 C ATOM 646 OE1 GLN A 41 49.547 45.405 19.386 1.00 0.00 O ATOM 647 NE2 GLN A 41 50.688 45.883 17.565 1.00 0.00 N ATOM 0 H GLN A 41 53.119 41.856 19.000 1.00 0.00 H new ATOM 0 HA GLN A 41 53.145 43.315 21.524 1.00 0.00 H new ATOM 0 HB2 GLN A 41 50.942 42.752 19.492 1.00 0.00 H new ATOM 0 HB3 GLN A 41 50.740 43.714 20.943 1.00 0.00 H new ATOM 0 HG2 GLN A 41 52.358 45.382 20.058 1.00 0.00 H new ATOM 0 HG3 GLN A 41 52.552 44.420 18.605 1.00 0.00 H new ATOM 0 HE21 GLN A 41 51.566 45.855 17.047 1.00 0.00 H new ATOM 0 HE22 GLN A 41 49.863 46.314 17.148 1.00 0.00 H new ATOM 656 N ARG A 42 51.921 41.690 22.972 1.00 0.00 N ATOM 657 CA ARG A 42 51.036 40.968 23.865 1.00 0.00 C ATOM 658 C ARG A 42 50.044 41.941 24.507 1.00 0.00 C ATOM 659 O ARG A 42 50.430 43.045 24.885 1.00 0.00 O ATOM 660 CB ARG A 42 51.819 40.249 24.960 1.00 0.00 C ATOM 661 CG ARG A 42 52.791 39.176 24.475 1.00 0.00 C ATOM 662 CD ARG A 42 53.479 38.524 25.671 1.00 0.00 C ATOM 663 NE ARG A 42 54.533 37.591 25.275 1.00 0.00 N ATOM 664 CZ ARG A 42 54.417 36.270 25.083 1.00 0.00 C ATOM 665 NH1 ARG A 42 53.241 35.630 25.125 1.00 0.00 N ATOM 666 NH2 ARG A 42 55.495 35.515 24.829 1.00 0.00 N ATOM 0 H ARG A 42 52.488 42.380 23.465 1.00 0.00 H new ATOM 0 HA ARG A 42 50.500 40.222 23.278 1.00 0.00 H new ATOM 0 HB2 ARG A 42 52.379 40.991 25.530 1.00 0.00 H new ATOM 0 HB3 ARG A 42 51.109 39.788 25.647 1.00 0.00 H new ATOM 0 HG2 ARG A 42 52.256 38.423 23.896 1.00 0.00 H new ATOM 0 HG3 ARG A 42 53.535 39.619 23.813 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.906 39.300 26.307 1.00 0.00 H new ATOM 0 HD3 ARG A 42 52.736 37.995 26.268 1.00 0.00 H new ATOM 0 HE ARG A 42 55.460 37.990 25.129 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.383 36.150 25.310 1.00 0.00 H new ATOM 0 HH12 ARG A 42 53.203 34.622 24.972 1.00 0.00 H new ATOM 0 HH21 ARG A 42 56.419 35.945 24.780 1.00 0.00 H new ATOM 0 HH22 ARG A 42 55.392 34.511 24.685 1.00 0.00 H new ATOM 680 N LEU A 43 48.787 41.532 24.648 1.00 0.00 N ATOM 681 CA LEU A 43 47.709 42.302 25.238 1.00 0.00 C ATOM 682 C LEU A 43 47.045 41.507 26.364 1.00 0.00 C ATOM 683 O LEU A 43 46.694 40.344 26.178 1.00 0.00 O ATOM 684 CB LEU A 43 46.701 42.699 24.164 1.00 0.00 C ATOM 685 CG LEU A 43 47.212 43.692 23.124 1.00 0.00 C ATOM 686 CD1 LEU A 43 46.193 43.831 21.996 1.00 0.00 C ATOM 687 CD2 LEU A 43 47.459 45.078 23.711 1.00 0.00 C ATOM 0 H LEU A 43 48.483 40.609 24.337 1.00 0.00 H new ATOM 0 HA LEU A 43 48.115 43.216 25.671 1.00 0.00 H new ATOM 0 HB2 LEU A 43 46.370 41.797 23.649 1.00 0.00 H new ATOM 0 HB3 LEU A 43 45.825 43.127 24.652 1.00 0.00 H new ATOM 0 HG LEU A 43 48.159 43.299 22.755 1.00 0.00 H new ATOM 0 HD11 LEU A 43 46.563 44.541 21.257 1.00 0.00 H new ATOM 0 HD12 LEU A 43 46.040 42.861 21.523 1.00 0.00 H new ATOM 0 HD13 LEU A 43 45.247 44.190 22.402 1.00 0.00 H new ATOM 0 HD21 LEU A 43 47.821 45.745 22.929 1.00 0.00 H new ATOM 0 HD22 LEU A 43 46.528 45.471 24.121 1.00 0.00 H new ATOM 0 HD23 LEU A 43 48.204 45.010 24.504 1.00 0.00 H new ATOM 699 N ILE A 44 46.885 42.137 27.525 1.00 0.00 N ATOM 700 CA ILE A 44 46.367 41.550 28.744 1.00 0.00 C ATOM 701 C ILE A 44 45.207 42.392 29.283 1.00 0.00 C ATOM 702 O ILE A 44 45.267 43.619 29.256 1.00 0.00 O ATOM 703 CB ILE A 44 47.483 41.372 29.769 1.00 0.00 C ATOM 704 CG1 ILE A 44 48.603 40.473 29.252 1.00 0.00 C ATOM 705 CG2 ILE A 44 46.939 40.817 31.082 1.00 0.00 C ATOM 706 CD1 ILE A 44 49.861 40.438 30.115 1.00 0.00 C ATOM 0 H ILE A 44 47.128 43.121 27.640 1.00 0.00 H new ATOM 0 HA ILE A 44 45.974 40.557 28.528 1.00 0.00 H new ATOM 0 HB ILE A 44 47.903 42.362 29.947 1.00 0.00 H new ATOM 0 HG12 ILE A 44 48.218 39.458 29.159 1.00 0.00 H new ATOM 0 HG13 ILE A 44 48.878 40.803 28.250 1.00 0.00 H new ATOM 0 HG21 ILE A 44 47.756 40.700 31.794 1.00 0.00 H new ATOM 0 HG22 ILE A 44 46.199 41.506 31.489 1.00 0.00 H new ATOM 0 HG23 ILE A 44 46.473 39.848 30.902 1.00 0.00 H new ATOM 0 HD11 ILE A 44 50.595 39.772 29.662 1.00 0.00 H new ATOM 0 HD12 ILE A 44 50.279 41.442 30.189 1.00 0.00 H new ATOM 0 HD13 ILE A 44 49.609 40.076 31.112 1.00 0.00 H new ATOM 718 N PHE A 45 44.171 41.736 29.797 1.00 0.00 N ATOM 719 CA PHE A 45 43.125 42.348 30.591 1.00 0.00 C ATOM 720 C PHE A 45 42.675 41.429 31.728 1.00 0.00 C ATOM 721 O PHE A 45 42.429 40.245 31.510 1.00 0.00 O ATOM 722 CB PHE A 45 41.949 42.729 29.696 1.00 0.00 C ATOM 723 CG PHE A 45 40.749 43.282 30.427 1.00 0.00 C ATOM 724 CD1 PHE A 45 40.885 44.393 31.268 1.00 0.00 C ATOM 725 CD2 PHE A 45 39.493 42.687 30.270 1.00 0.00 C ATOM 726 CE1 PHE A 45 39.773 44.908 31.945 1.00 0.00 C ATOM 727 CE2 PHE A 45 38.377 43.198 30.945 1.00 0.00 C ATOM 728 CZ PHE A 45 38.517 44.309 31.782 1.00 0.00 C ATOM 0 H PHE A 45 44.037 40.733 29.665 1.00 0.00 H new ATOM 0 HA PHE A 45 43.526 43.253 31.048 1.00 0.00 H new ATOM 0 HB2 PHE A 45 42.288 43.469 28.971 1.00 0.00 H new ATOM 0 HB3 PHE A 45 41.640 41.849 29.133 1.00 0.00 H new ATOM 0 HD1 PHE A 45 41.853 44.855 31.395 1.00 0.00 H new ATOM 0 HD2 PHE A 45 39.383 41.828 29.624 1.00 0.00 H new ATOM 0 HE1 PHE A 45 39.883 45.766 32.592 1.00 0.00 H new ATOM 0 HE2 PHE A 45 37.410 42.734 30.819 1.00 0.00 H new ATOM 0 HZ PHE A 45 37.658 44.705 32.303 1.00 0.00 H new ATOM 738 N ALA A 46 42.543 41.967 32.938 1.00 0.00 N ATOM 739 CA ALA A 46 42.019 41.315 34.121 1.00 0.00 C ATOM 740 C ALA A 46 42.583 39.919 34.393 1.00 0.00 C ATOM 741 O ALA A 46 41.857 38.989 34.738 1.00 0.00 O ATOM 742 CB ALA A 46 40.497 41.420 34.116 1.00 0.00 C ATOM 0 H ALA A 46 42.819 42.931 33.123 1.00 0.00 H new ATOM 0 HA ALA A 46 42.384 41.852 34.997 1.00 0.00 H new ATOM 0 HB1 ALA A 46 40.096 40.931 35.004 1.00 0.00 H new ATOM 0 HB2 ALA A 46 40.205 42.470 34.116 1.00 0.00 H new ATOM 0 HB3 ALA A 46 40.102 40.934 33.224 1.00 0.00 H new ATOM 748 N GLY A 47 43.892 39.748 34.225 1.00 0.00 N ATOM 749 CA GLY A 47 44.613 38.510 34.439 1.00 0.00 C ATOM 750 C GLY A 47 44.563 37.501 33.289 1.00 0.00 C ATOM 751 O GLY A 47 45.038 36.381 33.466 1.00 0.00 O ATOM 0 H GLY A 47 44.501 40.508 33.922 1.00 0.00 H new ATOM 0 HA2 GLY A 47 45.657 38.750 34.641 1.00 0.00 H new ATOM 0 HA3 GLY A 47 44.217 38.031 35.335 1.00 0.00 H new ATOM 755 N LYS A 48 44.015 37.853 32.130 1.00 0.00 N ATOM 756 CA LYS A 48 43.947 37.011 30.952 1.00 0.00 C ATOM 757 C LYS A 48 44.722 37.625 29.784 1.00 0.00 C ATOM 758 O LYS A 48 44.430 38.747 29.375 1.00 0.00 O ATOM 759 CB LYS A 48 42.495 36.735 30.574 1.00 0.00 C ATOM 760 CG LYS A 48 41.720 36.014 31.673 1.00 0.00 C ATOM 761 CD LYS A 48 40.279 35.714 31.273 1.00 0.00 C ATOM 762 CE LYS A 48 39.533 35.052 32.428 1.00 0.00 C ATOM 763 NZ LYS A 48 38.095 34.939 32.143 1.00 0.00 N ATOM 0 H LYS A 48 43.591 38.769 31.986 1.00 0.00 H new ATOM 0 HA LYS A 48 44.421 36.058 31.188 1.00 0.00 H new ATOM 0 HB2 LYS A 48 41.999 37.678 30.346 1.00 0.00 H new ATOM 0 HB3 LYS A 48 42.470 36.134 29.665 1.00 0.00 H new ATOM 0 HG2 LYS A 48 42.227 35.081 31.918 1.00 0.00 H new ATOM 0 HG3 LYS A 48 41.723 36.625 32.576 1.00 0.00 H new ATOM 0 HD2 LYS A 48 39.775 36.637 30.987 1.00 0.00 H new ATOM 0 HD3 LYS A 48 40.266 35.060 30.401 1.00 0.00 H new ATOM 0 HE2 LYS A 48 39.948 34.061 32.611 1.00 0.00 H new ATOM 0 HE3 LYS A 48 39.681 35.632 33.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 37.616 34.485 32.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 37.695 35.887 31.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 37.955 34.365 31.287 1.00 0.00 H new ATOM 777 N GLN A 49 45.668 36.887 29.211 1.00 0.00 N ATOM 778 CA GLN A 49 46.328 37.259 27.976 1.00 0.00 C ATOM 779 C GLN A 49 45.445 36.904 26.779 1.00 0.00 C ATOM 780 O GLN A 49 44.976 35.774 26.659 1.00 0.00 O ATOM 781 CB GLN A 49 47.715 36.623 27.922 1.00 0.00 C ATOM 782 CG GLN A 49 48.584 37.276 26.850 1.00 0.00 C ATOM 783 CD GLN A 49 50.040 36.808 26.870 1.00 0.00 C ATOM 784 OE1 GLN A 49 50.615 36.427 25.852 1.00 0.00 O ATOM 785 NE2 GLN A 49 50.722 36.847 28.011 1.00 0.00 N ATOM 0 H GLN A 49 45.998 36.004 29.601 1.00 0.00 H new ATOM 0 HA GLN A 49 46.476 38.338 27.935 1.00 0.00 H new ATOM 0 HB2 GLN A 49 48.199 36.719 28.894 1.00 0.00 H new ATOM 0 HB3 GLN A 49 47.621 35.557 27.717 1.00 0.00 H new ATOM 0 HG2 GLN A 49 48.157 37.064 25.870 1.00 0.00 H new ATOM 0 HG3 GLN A 49 48.557 38.358 26.982 1.00 0.00 H new ATOM 0 HE21 GLN A 49 50.265 37.160 28.868 1.00 0.00 H new ATOM 0 HE22 GLN A 49 51.702 36.564 28.029 1.00 0.00 H new ATOM 794 N LEU A 50 45.175 37.876 25.912 1.00 0.00 N ATOM 795 CA LEU A 50 44.066 37.826 24.980 1.00 0.00 C ATOM 796 C LEU A 50 44.416 37.101 23.679 1.00 0.00 C ATOM 797 O LEU A 50 45.456 37.365 23.081 1.00 0.00 O ATOM 798 CB LEU A 50 43.541 39.241 24.749 1.00 0.00 C ATOM 799 CG LEU A 50 43.249 40.068 25.998 1.00 0.00 C ATOM 800 CD1 LEU A 50 42.758 41.458 25.600 1.00 0.00 C ATOM 801 CD2 LEU A 50 42.187 39.434 26.891 1.00 0.00 C ATOM 0 H LEU A 50 45.730 38.729 25.841 1.00 0.00 H new ATOM 0 HA LEU A 50 43.268 37.228 25.420 1.00 0.00 H new ATOM 0 HB2 LEU A 50 44.269 39.781 24.144 1.00 0.00 H new ATOM 0 HB3 LEU A 50 42.625 39.174 24.162 1.00 0.00 H new ATOM 0 HG LEU A 50 44.184 40.121 26.556 1.00 0.00 H new ATOM 0 HD11 LEU A 50 42.552 42.042 26.497 1.00 0.00 H new ATOM 0 HD12 LEU A 50 43.525 41.959 25.009 1.00 0.00 H new ATOM 0 HD13 LEU A 50 41.847 41.367 25.009 1.00 0.00 H new ATOM 0 HD21 LEU A 50 42.021 40.066 27.763 1.00 0.00 H new ATOM 0 HD22 LEU A 50 41.256 39.333 26.333 1.00 0.00 H new ATOM 0 HD23 LEU A 50 42.525 38.450 27.215 1.00 0.00 H new ATOM 813 N GLU A 51 43.562 36.182 23.237 1.00 0.00 N ATOM 814 CA GLU A 51 43.796 35.310 22.104 1.00 0.00 C ATOM 815 C GLU A 51 43.557 35.983 20.751 1.00 0.00 C ATOM 816 O GLU A 51 42.490 36.545 20.511 1.00 0.00 O ATOM 817 CB GLU A 51 42.927 34.059 22.194 1.00 0.00 C ATOM 818 CG GLU A 51 43.321 33.100 23.313 1.00 0.00 C ATOM 819 CD GLU A 51 42.512 31.804 23.236 1.00 0.00 C ATOM 820 OE1 GLU A 51 42.708 31.018 22.284 1.00 0.00 O ATOM 821 OE2 GLU A 51 41.664 31.535 24.114 1.00 0.00 O ATOM 0 H GLU A 51 42.656 36.023 23.679 1.00 0.00 H new ATOM 0 HA GLU A 51 44.852 35.046 22.156 1.00 0.00 H new ATOM 0 HB2 GLU A 51 41.890 34.361 22.339 1.00 0.00 H new ATOM 0 HB3 GLU A 51 42.975 33.528 21.243 1.00 0.00 H new ATOM 0 HG2 GLU A 51 44.385 32.873 23.244 1.00 0.00 H new ATOM 0 HG3 GLU A 51 43.159 33.577 24.279 1.00 0.00 H new ATOM 828 N ASP A 52 44.505 35.853 19.827 1.00 0.00 N ATOM 829 CA ASP A 52 44.490 36.504 18.532 1.00 0.00 C ATOM 830 C ASP A 52 43.275 36.166 17.664 1.00 0.00 C ATOM 831 O ASP A 52 42.802 37.020 16.917 1.00 0.00 O ATOM 832 CB ASP A 52 45.772 36.188 17.767 1.00 0.00 C ATOM 833 CG ASP A 52 47.030 36.742 18.439 1.00 0.00 C ATOM 834 OD1 ASP A 52 47.525 37.825 18.056 1.00 0.00 O ATOM 835 OD2 ASP A 52 47.552 36.087 19.366 1.00 0.00 O ATOM 0 H ASP A 52 45.330 35.271 19.970 1.00 0.00 H new ATOM 0 HA ASP A 52 44.421 37.571 18.745 1.00 0.00 H new ATOM 0 HB2 ASP A 52 45.869 35.107 17.665 1.00 0.00 H new ATOM 0 HB3 ASP A 52 45.696 36.598 16.760 1.00 0.00 H new ATOM 840 N GLY A 53 42.744 34.952 17.776 1.00 0.00 N ATOM 841 CA GLY A 53 41.556 34.485 17.092 1.00 0.00 C ATOM 842 C GLY A 53 40.223 34.765 17.789 1.00 0.00 C ATOM 843 O GLY A 53 39.184 34.371 17.264 1.00 0.00 O ATOM 0 H GLY A 53 43.155 34.237 18.377 1.00 0.00 H new ATOM 0 HA2 GLY A 53 41.528 34.942 16.103 1.00 0.00 H new ATOM 0 HA3 GLY A 53 41.646 33.409 16.944 1.00 0.00 H new ATOM 847 N ARG A 54 40.223 35.400 18.957 1.00 0.00 N ATOM 848 CA ARG A 54 39.038 35.780 19.699 1.00 0.00 C ATOM 849 C ARG A 54 38.790 37.287 19.631 1.00 0.00 C ATOM 850 O ARG A 54 39.564 38.025 19.024 1.00 0.00 O ATOM 851 CB ARG A 54 39.109 35.240 21.124 1.00 0.00 C ATOM 852 CG ARG A 54 39.165 33.718 21.234 1.00 0.00 C ATOM 853 CD ARG A 54 38.119 32.930 20.452 1.00 0.00 C ATOM 854 NE ARG A 54 36.738 33.279 20.785 1.00 0.00 N ATOM 855 CZ ARG A 54 35.676 32.474 20.646 1.00 0.00 C ATOM 856 NH1 ARG A 54 35.764 31.254 20.097 1.00 0.00 N ATOM 857 NH2 ARG A 54 34.458 32.870 21.039 1.00 0.00 N ATOM 0 H ARG A 54 41.087 35.672 19.427 1.00 0.00 H new ATOM 0 HA ARG A 54 38.167 35.322 19.231 1.00 0.00 H new ATOM 0 HB2 ARG A 54 39.990 35.657 21.611 1.00 0.00 H new ATOM 0 HB3 ARG A 54 38.240 35.598 21.676 1.00 0.00 H new ATOM 0 HG2 ARG A 54 40.152 33.390 20.906 1.00 0.00 H new ATOM 0 HG3 ARG A 54 39.074 33.451 22.287 1.00 0.00 H new ATOM 0 HD2 ARG A 54 38.277 33.094 19.386 1.00 0.00 H new ATOM 0 HD3 ARG A 54 38.268 31.866 20.636 1.00 0.00 H new ATOM 0 HE ARG A 54 36.569 34.215 21.154 1.00 0.00 H new ATOM 0 HH11 ARG A 54 36.665 30.907 19.766 1.00 0.00 H new ATOM 0 HH12 ARG A 54 34.930 30.673 20.010 1.00 0.00 H new ATOM 0 HH21 ARG A 54 34.330 33.795 21.450 1.00 0.00 H new ATOM 0 HH22 ARG A 54 33.658 32.247 20.927 1.00 0.00 H new ATOM 871 N THR A 55 37.681 37.736 20.211 1.00 0.00 N ATOM 872 CA THR A 55 37.140 39.073 20.086 1.00 0.00 C ATOM 873 C THR A 55 36.893 39.739 21.443 1.00 0.00 C ATOM 874 O THR A 55 36.815 39.063 22.465 1.00 0.00 O ATOM 875 CB THR A 55 35.842 39.078 19.283 1.00 0.00 C ATOM 876 OG1 THR A 55 34.858 38.291 19.916 1.00 0.00 O ATOM 877 CG2 THR A 55 36.007 38.567 17.855 1.00 0.00 C ATOM 0 H THR A 55 37.110 37.141 20.811 1.00 0.00 H new ATOM 0 HA THR A 55 37.898 39.650 19.556 1.00 0.00 H new ATOM 0 HB THR A 55 35.538 40.124 19.237 1.00 0.00 H new ATOM 0 HG1 THR A 55 35.280 37.507 20.326 1.00 0.00 H new ATOM 0 HG21 THR A 55 35.045 38.599 17.344 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.721 39.196 17.324 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.373 37.541 17.876 1.00 0.00 H new ATOM 885 N LEU A 56 36.747 41.061 21.468 1.00 0.00 N ATOM 886 CA LEU A 56 36.599 41.823 22.691 1.00 0.00 C ATOM 887 C LEU A 56 35.397 41.408 23.543 1.00 0.00 C ATOM 888 O LEU A 56 35.507 41.351 24.765 1.00 0.00 O ATOM 889 CB LEU A 56 36.555 43.308 22.343 1.00 0.00 C ATOM 890 CG LEU A 56 37.849 43.876 21.769 1.00 0.00 C ATOM 891 CD1 LEU A 56 37.645 45.347 21.417 1.00 0.00 C ATOM 892 CD2 LEU A 56 39.022 43.805 22.743 1.00 0.00 C ATOM 0 H LEU A 56 36.729 41.635 20.625 1.00 0.00 H new ATOM 0 HA LEU A 56 37.465 41.609 23.318 1.00 0.00 H new ATOM 0 HB2 LEU A 56 35.753 43.473 21.623 1.00 0.00 H new ATOM 0 HB3 LEU A 56 36.297 43.869 23.242 1.00 0.00 H new ATOM 0 HG LEU A 56 38.087 43.269 20.896 1.00 0.00 H new ATOM 0 HD11 LEU A 56 38.569 45.754 21.007 1.00 0.00 H new ATOM 0 HD12 LEU A 56 36.849 45.437 20.678 1.00 0.00 H new ATOM 0 HD13 LEU A 56 37.371 45.901 22.315 1.00 0.00 H new ATOM 0 HD21 LEU A 56 39.911 44.225 22.273 1.00 0.00 H new ATOM 0 HD22 LEU A 56 38.784 44.374 23.642 1.00 0.00 H new ATOM 0 HD23 LEU A 56 39.210 42.765 23.011 1.00 0.00 H new ATOM 904 N SER A 57 34.276 41.050 22.922 1.00 0.00 N ATOM 905 CA SER A 57 33.110 40.497 23.581 1.00 0.00 C ATOM 906 C SER A 57 33.373 39.191 24.332 1.00 0.00 C ATOM 907 O SER A 57 32.806 38.984 25.402 1.00 0.00 O ATOM 908 CB SER A 57 31.982 40.271 22.580 1.00 0.00 C ATOM 909 OG SER A 57 32.409 39.497 21.482 1.00 0.00 O ATOM 0 H SER A 57 34.157 41.142 21.913 1.00 0.00 H new ATOM 0 HA SER A 57 32.826 41.241 24.325 1.00 0.00 H new ATOM 0 HB2 SER A 57 31.150 39.772 23.076 1.00 0.00 H new ATOM 0 HB3 SER A 57 31.611 41.233 22.226 1.00 0.00 H new ATOM 0 HG SER A 57 32.853 40.075 20.827 1.00 0.00 H new ATOM 915 N ASP A 58 34.285 38.348 23.855 1.00 0.00 N ATOM 916 CA ASP A 58 34.653 37.112 24.517 1.00 0.00 C ATOM 917 C ASP A 58 35.286 37.331 25.892 1.00 0.00 C ATOM 918 O ASP A 58 35.313 36.406 26.702 1.00 0.00 O ATOM 919 CB ASP A 58 35.601 36.279 23.659 1.00 0.00 C ATOM 920 CG ASP A 58 35.026 35.878 22.299 1.00 0.00 C ATOM 921 OD1 ASP A 58 33.901 35.335 22.248 1.00 0.00 O ATOM 922 OD2 ASP A 58 35.720 36.018 21.268 1.00 0.00 O ATOM 0 H ASP A 58 34.793 38.512 22.986 1.00 0.00 H new ATOM 0 HA ASP A 58 33.717 36.573 24.661 1.00 0.00 H new ATOM 0 HB2 ASP A 58 36.520 36.843 23.500 1.00 0.00 H new ATOM 0 HB3 ASP A 58 35.871 35.377 24.207 1.00 0.00 H new ATOM 927 N TYR A 59 35.776 38.536 26.166 1.00 0.00 N ATOM 928 CA TYR A 59 36.376 38.963 27.414 1.00 0.00 C ATOM 929 C TYR A 59 35.565 40.029 28.153 1.00 0.00 C ATOM 930 O TYR A 59 36.057 40.592 29.128 1.00 0.00 O ATOM 931 CB TYR A 59 37.803 39.428 27.138 1.00 0.00 C ATOM 932 CG TYR A 59 38.704 38.350 26.586 1.00 0.00 C ATOM 933 CD1 TYR A 59 39.399 37.510 27.466 1.00 0.00 C ATOM 934 CD2 TYR A 59 38.866 38.207 25.203 1.00 0.00 C ATOM 935 CE1 TYR A 59 40.267 36.533 26.965 1.00 0.00 C ATOM 936 CE2 TYR A 59 39.737 37.239 24.689 1.00 0.00 C ATOM 937 CZ TYR A 59 40.447 36.403 25.573 1.00 0.00 C ATOM 938 OH TYR A 59 41.318 35.478 25.077 1.00 0.00 O ATOM 0 H TYR A 59 35.761 39.285 25.474 1.00 0.00 H new ATOM 0 HA TYR A 59 36.387 38.108 28.090 1.00 0.00 H new ATOM 0 HB2 TYR A 59 37.774 40.259 26.433 1.00 0.00 H new ATOM 0 HB3 TYR A 59 38.235 39.810 28.063 1.00 0.00 H new ATOM 0 HD1 TYR A 59 39.265 37.617 28.532 1.00 0.00 H new ATOM 0 HD2 TYR A 59 38.316 38.847 24.529 1.00 0.00 H new ATOM 0 HE1 TYR A 59 40.797 35.881 27.643 1.00 0.00 H new ATOM 0 HE2 TYR A 59 39.864 37.134 23.622 1.00 0.00 H new ATOM 0 HH TYR A 59 40.873 34.948 24.383 1.00 0.00 H new ATOM 948 N ASN A 60 34.335 40.306 27.730 1.00 0.00 N ATOM 949 CA ASN A 60 33.443 41.280 28.324 1.00 0.00 C ATOM 950 C ASN A 60 33.976 42.714 28.337 1.00 0.00 C ATOM 951 O ASN A 60 33.592 43.526 29.175 1.00 0.00 O ATOM 952 CB ASN A 60 32.939 40.729 29.655 1.00 0.00 C ATOM 953 CG ASN A 60 31.838 41.567 30.310 1.00 0.00 C ATOM 954 OD1 ASN A 60 31.974 42.026 31.441 1.00 0.00 O ATOM 955 ND2 ASN A 60 30.717 41.779 29.626 1.00 0.00 N ATOM 0 H ASN A 60 33.920 39.833 26.927 1.00 0.00 H new ATOM 0 HA ASN A 60 32.574 41.412 27.679 1.00 0.00 H new ATOM 0 HB2 ASN A 60 32.564 39.718 29.497 1.00 0.00 H new ATOM 0 HB3 ASN A 60 33.780 40.653 30.345 1.00 0.00 H new ATOM 0 HD21 ASN A 60 29.963 42.326 30.040 1.00 0.00 H new ATOM 0 HD22 ASN A 60 30.612 41.394 28.687 1.00 0.00 H new ATOM 962 N ILE A 61 34.843 43.063 27.391 1.00 0.00 N ATOM 963 CA ILE A 61 35.411 44.391 27.271 1.00 0.00 C ATOM 964 C ILE A 61 34.359 45.340 26.694 1.00 0.00 C ATOM 965 O ILE A 61 33.739 45.057 25.671 1.00 0.00 O ATOM 966 CB ILE A 61 36.713 44.352 26.474 1.00 0.00 C ATOM 967 CG1 ILE A 61 37.765 43.540 27.224 1.00 0.00 C ATOM 968 CG2 ILE A 61 37.236 45.756 26.186 1.00 0.00 C ATOM 969 CD1 ILE A 61 39.018 43.192 26.426 1.00 0.00 C ATOM 0 H ILE A 61 35.173 42.415 26.676 1.00 0.00 H new ATOM 0 HA ILE A 61 35.684 44.778 28.253 1.00 0.00 H new ATOM 0 HB ILE A 61 36.505 43.872 25.518 1.00 0.00 H new ATOM 0 HG12 ILE A 61 38.064 44.097 28.112 1.00 0.00 H new ATOM 0 HG13 ILE A 61 37.306 42.613 27.569 1.00 0.00 H new ATOM 0 HG21 ILE A 61 38.164 45.689 25.617 1.00 0.00 H new ATOM 0 HG22 ILE A 61 36.495 46.309 25.608 1.00 0.00 H new ATOM 0 HG23 ILE A 61 37.423 46.274 27.126 1.00 0.00 H new ATOM 0 HD11 ILE A 61 39.699 42.615 27.051 1.00 0.00 H new ATOM 0 HD12 ILE A 61 38.741 42.603 25.552 1.00 0.00 H new ATOM 0 HD13 ILE A 61 39.511 44.109 26.104 1.00 0.00 H new ATOM 981 N GLN A 62 34.143 46.466 27.367 1.00 0.00 N ATOM 982 CA GLN A 62 33.130 47.463 27.079 1.00 0.00 C ATOM 983 C GLN A 62 33.758 48.841 26.860 1.00 0.00 C ATOM 984 O GLN A 62 34.975 48.985 26.957 1.00 0.00 O ATOM 985 CB GLN A 62 32.133 47.459 28.234 1.00 0.00 C ATOM 986 CG GLN A 62 31.309 46.178 28.339 1.00 0.00 C ATOM 987 CD GLN A 62 30.583 46.066 29.680 1.00 0.00 C ATOM 988 OE1 GLN A 62 29.760 46.906 30.038 1.00 0.00 O ATOM 989 NE2 GLN A 62 30.859 45.036 30.475 1.00 0.00 N ATOM 0 H GLN A 62 34.709 46.718 28.178 1.00 0.00 H new ATOM 0 HA GLN A 62 32.610 47.223 26.152 1.00 0.00 H new ATOM 0 HB2 GLN A 62 32.674 47.608 29.168 1.00 0.00 H new ATOM 0 HB3 GLN A 62 31.456 48.306 28.119 1.00 0.00 H new ATOM 0 HG2 GLN A 62 30.580 46.150 27.530 1.00 0.00 H new ATOM 0 HG3 GLN A 62 31.963 45.316 28.209 1.00 0.00 H new ATOM 0 HE21 GLN A 62 31.541 44.335 30.184 1.00 0.00 H new ATOM 0 HE22 GLN A 62 30.389 44.947 31.376 1.00 0.00 H new ATOM 998 N LYS A 63 32.966 49.874 26.585 1.00 0.00 N ATOM 999 CA LYS A 63 33.454 51.228 26.420 1.00 0.00 C ATOM 1000 C LYS A 63 34.269 51.722 27.618 1.00 0.00 C ATOM 1001 O LYS A 63 33.973 51.380 28.760 1.00 0.00 O ATOM 1002 CB LYS A 63 32.314 52.191 26.097 1.00 0.00 C ATOM 1003 CG LYS A 63 31.378 52.529 27.253 1.00 0.00 C ATOM 1004 CD LYS A 63 30.223 53.381 26.736 1.00 0.00 C ATOM 1005 CE LYS A 63 29.261 53.797 27.846 1.00 0.00 C ATOM 1006 NZ LYS A 63 28.099 54.503 27.285 1.00 0.00 N ATOM 0 H LYS A 63 31.956 49.787 26.470 1.00 0.00 H new ATOM 0 HA LYS A 63 34.137 51.205 25.571 1.00 0.00 H new ATOM 0 HB2 LYS A 63 32.744 53.119 25.720 1.00 0.00 H new ATOM 0 HB3 LYS A 63 31.721 51.763 25.288 1.00 0.00 H new ATOM 0 HG2 LYS A 63 30.996 51.614 27.705 1.00 0.00 H new ATOM 0 HG3 LYS A 63 31.921 53.066 28.030 1.00 0.00 H new ATOM 0 HD2 LYS A 63 30.622 54.273 26.252 1.00 0.00 H new ATOM 0 HD3 LYS A 63 29.676 52.823 25.976 1.00 0.00 H new ATOM 0 HE2 LYS A 63 28.928 52.916 28.395 1.00 0.00 H new ATOM 0 HE3 LYS A 63 29.776 54.441 28.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 27.456 54.778 28.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 28.420 55.354 26.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 27.599 53.876 26.623 1.00 0.00 H new ATOM 1020 N GLU A 64 35.292 52.531 27.352 1.00 0.00 N ATOM 1021 CA GLU A 64 36.136 53.177 28.337 1.00 0.00 C ATOM 1022 C GLU A 64 36.912 52.229 29.252 1.00 0.00 C ATOM 1023 O GLU A 64 37.390 52.633 30.310 1.00 0.00 O ATOM 1024 CB GLU A 64 35.363 54.251 29.097 1.00 0.00 C ATOM 1025 CG GLU A 64 34.703 55.292 28.196 1.00 0.00 C ATOM 1026 CD GLU A 64 34.041 56.388 29.033 1.00 0.00 C ATOM 1027 OE1 GLU A 64 34.631 57.482 29.166 1.00 0.00 O ATOM 1028 OE2 GLU A 64 32.955 56.157 29.606 1.00 0.00 O ATOM 0 H GLU A 64 35.562 52.761 26.396 1.00 0.00 H new ATOM 0 HA GLU A 64 36.927 53.669 27.770 1.00 0.00 H new ATOM 0 HB2 GLU A 64 34.595 53.771 29.704 1.00 0.00 H new ATOM 0 HB3 GLU A 64 36.042 54.757 29.783 1.00 0.00 H new ATOM 0 HG2 GLU A 64 35.449 55.733 27.534 1.00 0.00 H new ATOM 0 HG3 GLU A 64 33.958 54.812 27.562 1.00 0.00 H new ATOM 1035 N SER A 65 37.058 50.970 28.847 1.00 0.00 N ATOM 1036 CA SER A 65 37.901 49.974 29.476 1.00 0.00 C ATOM 1037 C SER A 65 39.374 50.148 29.103 1.00 0.00 C ATOM 1038 O SER A 65 39.695 50.748 28.079 1.00 0.00 O ATOM 1039 CB SER A 65 37.463 48.555 29.127 1.00 0.00 C ATOM 1040 OG SER A 65 36.072 48.381 29.274 1.00 0.00 O ATOM 0 H SER A 65 36.565 50.606 28.032 1.00 0.00 H new ATOM 0 HA SER A 65 37.790 50.126 30.550 1.00 0.00 H new ATOM 0 HB2 SER A 65 37.750 48.329 28.100 1.00 0.00 H new ATOM 0 HB3 SER A 65 37.987 47.846 29.768 1.00 0.00 H new ATOM 0 HG SER A 65 35.607 48.817 28.530 1.00 0.00 H new ATOM 1046 N THR A 66 40.263 49.596 29.924 1.00 0.00 N ATOM 1047 CA THR A 66 41.703 49.673 29.780 1.00 0.00 C ATOM 1048 C THR A 66 42.316 48.277 29.661 1.00 0.00 C ATOM 1049 O THR A 66 41.958 47.378 30.420 1.00 0.00 O ATOM 1050 CB THR A 66 42.339 50.442 30.934 1.00 0.00 C ATOM 1051 OG1 THR A 66 41.789 51.740 30.995 1.00 0.00 O ATOM 1052 CG2 THR A 66 43.846 50.624 30.780 1.00 0.00 C ATOM 0 H THR A 66 39.980 49.059 30.744 1.00 0.00 H new ATOM 0 HA THR A 66 41.911 50.219 28.860 1.00 0.00 H new ATOM 0 HB THR A 66 42.140 49.853 31.830 1.00 0.00 H new ATOM 0 HG1 THR A 66 42.196 52.233 31.737 1.00 0.00 H new ATOM 0 HG21 THR A 66 44.235 51.179 31.634 1.00 0.00 H new ATOM 0 HG22 THR A 66 44.327 49.647 30.732 1.00 0.00 H new ATOM 0 HG23 THR A 66 44.054 51.176 29.864 1.00 0.00 H new ATOM 1060 N LEU A 67 43.242 48.110 28.722 1.00 0.00 N ATOM 1061 CA LEU A 67 44.062 46.934 28.511 1.00 0.00 C ATOM 1062 C LEU A 67 45.533 47.294 28.731 1.00 0.00 C ATOM 1063 O LEU A 67 45.908 48.457 28.597 1.00 0.00 O ATOM 1064 CB LEU A 67 43.885 46.398 27.093 1.00 0.00 C ATOM 1065 CG LEU A 67 42.500 45.949 26.638 1.00 0.00 C ATOM 1066 CD1 LEU A 67 41.551 47.099 26.312 1.00 0.00 C ATOM 1067 CD2 LEU A 67 42.662 45.148 25.348 1.00 0.00 C ATOM 0 H LEU A 67 43.449 48.845 28.046 1.00 0.00 H new ATOM 0 HA LEU A 67 43.753 46.165 29.219 1.00 0.00 H new ATOM 0 HB2 LEU A 67 44.222 47.173 26.404 1.00 0.00 H new ATOM 0 HB3 LEU A 67 44.560 45.551 26.975 1.00 0.00 H new ATOM 0 HG LEU A 67 42.074 45.380 27.464 1.00 0.00 H new ATOM 0 HD11 LEU A 67 40.588 46.698 25.996 1.00 0.00 H new ATOM 0 HD12 LEU A 67 41.413 47.719 27.198 1.00 0.00 H new ATOM 0 HD13 LEU A 67 41.973 47.703 25.509 1.00 0.00 H new ATOM 0 HD21 LEU A 67 41.684 44.815 25.001 1.00 0.00 H new ATOM 0 HD22 LEU A 67 43.123 45.776 24.585 1.00 0.00 H new ATOM 0 HD23 LEU A 67 43.295 44.281 25.535 1.00 0.00 H new ATOM 1079 N HIS A 68 46.387 46.309 28.997 1.00 0.00 N ATOM 1080 CA HIS A 68 47.816 46.497 29.148 1.00 0.00 C ATOM 1081 C HIS A 68 48.605 45.859 28.003 1.00 0.00 C ATOM 1082 O HIS A 68 48.285 44.756 27.566 1.00 0.00 O ATOM 1083 CB HIS A 68 48.268 46.012 30.522 1.00 0.00 C ATOM 1084 CG HIS A 68 47.541 46.711 31.637 1.00 0.00 C ATOM 1085 ND1 HIS A 68 46.535 46.148 32.421 1.00 0.00 N ATOM 1086 CD2 HIS A 68 47.679 48.030 31.985 1.00 0.00 C ATOM 1087 CE1 HIS A 68 46.065 47.130 33.194 1.00 0.00 C ATOM 1088 NE2 HIS A 68 46.738 48.270 32.967 1.00 0.00 N ATOM 0 H HIS A 68 46.092 45.340 29.115 1.00 0.00 H new ATOM 0 HA HIS A 68 48.031 47.564 29.089 1.00 0.00 H new ATOM 0 HB2 HIS A 68 48.102 44.938 30.599 1.00 0.00 H new ATOM 0 HB3 HIS A 68 49.340 46.177 30.629 1.00 0.00 H new ATOM 0 HD2 HIS A 68 48.382 48.739 31.574 1.00 0.00 H new ATOM 0 HE1 HIS A 68 45.257 47.023 33.902 1.00 0.00 H new ATOM 0 HE2 HIS A 68 46.581 49.160 33.439 1.00 0.00 H new ATOM 1096 N LEU A 69 49.634 46.555 27.530 1.00 0.00 N ATOM 1097 CA LEU A 69 50.471 46.186 26.405 1.00 0.00 C ATOM 1098 C LEU A 69 51.891 45.852 26.866 1.00 0.00 C ATOM 1099 O LEU A 69 52.560 46.673 27.490 1.00 0.00 O ATOM 1100 CB LEU A 69 50.427 47.320 25.386 1.00 0.00 C ATOM 1101 CG LEU A 69 51.429 47.268 24.236 1.00 0.00 C ATOM 1102 CD1 LEU A 69 51.292 46.035 23.347 1.00 0.00 C ATOM 1103 CD2 LEU A 69 51.241 48.491 23.344 1.00 0.00 C ATOM 0 H LEU A 69 49.918 47.441 27.949 1.00 0.00 H new ATOM 0 HA LEU A 69 50.097 45.280 25.929 1.00 0.00 H new ATOM 0 HB2 LEU A 69 49.425 47.351 24.959 1.00 0.00 H new ATOM 0 HB3 LEU A 69 50.575 48.259 25.920 1.00 0.00 H new ATOM 0 HG LEU A 69 52.413 47.236 24.704 1.00 0.00 H new ATOM 0 HD11 LEU A 69 52.039 46.073 22.554 1.00 0.00 H new ATOM 0 HD12 LEU A 69 51.443 45.136 23.945 1.00 0.00 H new ATOM 0 HD13 LEU A 69 50.296 46.014 22.906 1.00 0.00 H new ATOM 0 HD21 LEU A 69 51.956 48.455 22.522 1.00 0.00 H new ATOM 0 HD22 LEU A 69 50.227 48.497 22.943 1.00 0.00 H new ATOM 0 HD23 LEU A 69 51.405 49.396 23.928 1.00 0.00 H new ATOM 1115 N VAL A 70 52.362 44.664 26.494 1.00 0.00 N ATOM 1116 CA VAL A 70 53.695 44.161 26.759 1.00 0.00 C ATOM 1117 C VAL A 70 54.353 43.771 25.433 1.00 0.00 C ATOM 1118 O VAL A 70 53.707 43.173 24.576 1.00 0.00 O ATOM 1119 CB VAL A 70 53.649 42.992 27.739 1.00 0.00 C ATOM 1120 CG1 VAL A 70 55.048 42.491 28.089 1.00 0.00 C ATOM 1121 CG2 VAL A 70 52.956 43.370 29.045 1.00 0.00 C ATOM 0 H VAL A 70 51.791 43.998 25.974 1.00 0.00 H new ATOM 0 HA VAL A 70 54.296 44.939 27.229 1.00 0.00 H new ATOM 0 HB VAL A 70 53.086 42.208 27.233 1.00 0.00 H new ATOM 0 HG11 VAL A 70 54.972 41.659 28.789 1.00 0.00 H new ATOM 0 HG12 VAL A 70 55.553 42.158 27.182 1.00 0.00 H new ATOM 0 HG13 VAL A 70 55.620 43.298 28.546 1.00 0.00 H new ATOM 0 HG21 VAL A 70 52.945 42.509 29.714 1.00 0.00 H new ATOM 0 HG22 VAL A 70 53.495 44.191 29.519 1.00 0.00 H new ATOM 0 HG23 VAL A 70 51.932 43.681 28.837 1.00 0.00 H new ATOM 1131 N LEU A 71 55.625 44.113 25.242 1.00 0.00 N ATOM 1132 CA LEU A 71 56.351 43.836 24.019 1.00 0.00 C ATOM 1133 C LEU A 71 57.126 42.519 24.093 1.00 0.00 C ATOM 1134 O LEU A 71 57.598 42.131 25.159 1.00 0.00 O ATOM 1135 CB LEU A 71 57.266 45.005 23.665 1.00 0.00 C ATOM 1136 CG LEU A 71 56.592 46.163 22.934 1.00 0.00 C ATOM 1137 CD1 LEU A 71 55.516 46.875 23.749 1.00 0.00 C ATOM 1138 CD2 LEU A 71 57.647 47.198 22.554 1.00 0.00 C ATOM 0 H LEU A 71 56.182 44.597 25.946 1.00 0.00 H new ATOM 0 HA LEU A 71 55.619 43.719 23.220 1.00 0.00 H new ATOM 0 HB2 LEU A 71 57.712 45.387 24.583 1.00 0.00 H new ATOM 0 HB3 LEU A 71 58.082 44.632 23.046 1.00 0.00 H new ATOM 0 HG LEU A 71 56.105 45.723 22.064 1.00 0.00 H new ATOM 0 HD11 LEU A 71 55.087 47.684 23.158 1.00 0.00 H new ATOM 0 HD12 LEU A 71 54.732 46.166 24.015 1.00 0.00 H new ATOM 0 HD13 LEU A 71 55.959 47.285 24.657 1.00 0.00 H new ATOM 0 HD21 LEU A 71 57.171 48.028 22.031 1.00 0.00 H new ATOM 0 HD22 LEU A 71 58.134 47.569 23.456 1.00 0.00 H new ATOM 0 HD23 LEU A 71 58.390 46.738 21.903 1.00 0.00 H new ATOM 1150 N ARG A 72 57.319 41.854 22.958 1.00 0.00 N ATOM 1151 CA ARG A 72 58.377 40.885 22.757 1.00 0.00 C ATOM 1152 C ARG A 72 59.639 41.629 22.315 1.00 0.00 C ATOM 1153 O ARG A 72 59.591 42.470 21.420 1.00 0.00 O ATOM 1154 CB ARG A 72 57.987 39.793 21.765 1.00 0.00 C ATOM 1155 CG ARG A 72 56.783 38.972 22.218 1.00 0.00 C ATOM 1156 CD ARG A 72 56.531 37.800 21.272 1.00 0.00 C ATOM 1157 NE ARG A 72 55.307 37.064 21.591 1.00 0.00 N ATOM 1158 CZ ARG A 72 54.043 37.496 21.478 1.00 0.00 C ATOM 1159 NH1 ARG A 72 53.733 38.686 20.944 1.00 0.00 N ATOM 1160 NH2 ARG A 72 53.026 36.728 21.889 1.00 0.00 N ATOM 0 H ARG A 72 56.727 41.981 22.137 1.00 0.00 H new ATOM 0 HA ARG A 72 58.566 40.368 23.698 1.00 0.00 H new ATOM 0 HB2 ARG A 72 57.765 40.250 20.800 1.00 0.00 H new ATOM 0 HB3 ARG A 72 58.837 39.127 21.615 1.00 0.00 H new ATOM 0 HG2 ARG A 72 56.953 38.599 23.228 1.00 0.00 H new ATOM 0 HG3 ARG A 72 55.899 39.608 22.258 1.00 0.00 H new ATOM 0 HD2 ARG A 72 56.469 38.172 20.249 1.00 0.00 H new ATOM 0 HD3 ARG A 72 57.380 37.118 21.312 1.00 0.00 H new ATOM 0 HE ARG A 72 55.430 36.113 21.939 1.00 0.00 H new ATOM 0 HH11 ARG A 72 54.473 39.301 20.605 1.00 0.00 H new ATOM 0 HH12 ARG A 72 52.757 38.976 20.877 1.00 0.00 H new ATOM 0 HH21 ARG A 72 53.211 35.809 22.291 1.00 0.00 H new ATOM 0 HH22 ARG A 72 52.066 37.062 21.800 1.00 0.00 H new ATOM 1174 N LEU A 73 60.766 41.346 22.961 1.00 0.00 N ATOM 1175 CA LEU A 73 61.902 42.241 23.057 1.00 0.00 C ATOM 1176 C LEU A 73 62.941 42.064 21.948 1.00 0.00 C ATOM 1177 O LEU A 73 64.118 42.364 22.135 1.00 0.00 O ATOM 1178 CB LEU A 73 62.453 42.198 24.479 1.00 0.00 C ATOM 1179 CG LEU A 73 61.424 42.467 25.573 1.00 0.00 C ATOM 1180 CD1 LEU A 73 62.080 42.437 26.951 1.00 0.00 C ATOM 1181 CD2 LEU A 73 60.737 43.823 25.433 1.00 0.00 C ATOM 0 H LEU A 73 60.913 40.460 23.445 1.00 0.00 H new ATOM 0 HA LEU A 73 61.559 43.258 22.869 1.00 0.00 H new ATOM 0 HB2 LEU A 73 62.898 41.218 24.652 1.00 0.00 H new ATOM 0 HB3 LEU A 73 63.254 42.932 24.565 1.00 0.00 H new ATOM 0 HG LEU A 73 60.679 41.679 25.466 1.00 0.00 H new ATOM 0 HD11 LEU A 73 61.328 42.631 27.716 1.00 0.00 H new ATOM 0 HD12 LEU A 73 62.526 41.457 27.121 1.00 0.00 H new ATOM 0 HD13 LEU A 73 62.855 43.202 27.002 1.00 0.00 H new ATOM 0 HD21 LEU A 73 60.018 43.952 26.242 1.00 0.00 H new ATOM 0 HD22 LEU A 73 61.483 44.616 25.482 1.00 0.00 H new ATOM 0 HD23 LEU A 73 60.219 43.871 24.475 1.00 0.00 H new ATOM 1193 N ARG A 74 62.506 41.618 20.772 1.00 0.00 N ATOM 1194 CA ARG A 74 63.262 41.531 19.539 1.00 0.00 C ATOM 1195 C ARG A 74 62.463 42.049 18.341 1.00 0.00 C ATOM 1196 O ARG A 74 61.234 42.038 18.371 1.00 0.00 O ATOM 1197 CB ARG A 74 63.714 40.095 19.293 1.00 0.00 C ATOM 1198 CG ARG A 74 64.834 39.656 20.234 1.00 0.00 C ATOM 1199 CD ARG A 74 65.332 38.262 19.865 1.00 0.00 C ATOM 1200 NE ARG A 74 66.477 37.875 20.691 1.00 0.00 N ATOM 1201 CZ ARG A 74 67.762 38.205 20.504 1.00 0.00 C ATOM 1202 NH1 ARG A 74 68.195 38.918 19.456 1.00 0.00 N ATOM 1203 NH2 ARG A 74 68.659 37.816 21.422 1.00 0.00 N ATOM 0 H ARG A 74 61.549 41.286 20.654 1.00 0.00 H new ATOM 0 HA ARG A 74 64.140 42.168 19.648 1.00 0.00 H new ATOM 0 HB2 ARG A 74 62.862 39.426 19.413 1.00 0.00 H new ATOM 0 HB3 ARG A 74 64.053 39.998 18.262 1.00 0.00 H new ATOM 0 HG2 ARG A 74 65.658 40.367 20.183 1.00 0.00 H new ATOM 0 HG3 ARG A 74 64.474 39.659 21.263 1.00 0.00 H new ATOM 0 HD2 ARG A 74 64.526 37.539 19.993 1.00 0.00 H new ATOM 0 HD3 ARG A 74 65.615 38.240 18.813 1.00 0.00 H new ATOM 0 HE ARG A 74 66.274 37.288 21.500 1.00 0.00 H new ATOM 0 HH11 ARG A 74 67.533 39.239 18.749 1.00 0.00 H new ATOM 0 HH12 ARG A 74 69.186 39.140 19.365 1.00 0.00 H new ATOM 0 HH21 ARG A 74 68.356 37.283 22.237 1.00 0.00 H new ATOM 0 HH22 ARG A 74 69.644 38.053 21.305 1.00 0.00 H new ATOM 1217 N GLY A 75 63.172 42.447 17.289 1.00 0.00 N ATOM 1218 CA GLY A 75 62.634 42.946 16.040 1.00 0.00 C ATOM 1219 C GLY A 75 63.517 42.623 14.832 1.00 0.00 C ATOM 1220 O GLY A 75 64.113 41.550 14.764 1.00 0.00 O ATOM 0 H GLY A 75 64.192 42.427 17.291 1.00 0.00 H new ATOM 0 HA2 GLY A 75 61.643 42.520 15.882 1.00 0.00 H new ATOM 0 HA3 GLY A 75 62.508 44.026 16.112 1.00 0.00 H new ATOM 1224 N GLY A 76 63.586 43.537 13.868 1.00 0.00 N ATOM 1225 CA GLY A 76 64.327 43.396 12.631 1.00 0.00 C ATOM 1226 C GLY A 76 64.197 44.605 11.704 1.00 0.00 C ATOM 1227 O GLY A 76 65.186 45.357 11.567 1.00 0.00 O ATOM 1228 OXT GLY A 76 63.099 44.810 11.143 1.00 0.00 O ATOM 0 H GLY A 76 63.104 44.433 13.937 1.00 0.00 H new ATOM 0 HA2 GLY A 76 65.380 43.237 12.863 1.00 0.00 H new ATOM 0 HA3 GLY A 76 63.978 42.506 12.107 1.00 0.00 H new TER 1232 GLY A 76