USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 462 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 Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.259 K(o=-0.26,f=-1.5!) USER MOD Single : A 16 ASN : amide:sc= -1 K(o=-1,f=-2.3) USER MOD Single : A 19 GLN : amide:sc= -0.208 X(o=-0.21,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 30:sc= -5.44! USER MOD Single : A 32 SER OG : rot 67:sc= 0.0792 USER MOD Single : A 33 ASN : amide:sc= -0.781! C(o=-0.78!,f=-13!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0.488 K(o=0.49,f=-1.3) USER MOD Single : A 45 GLN : amide:sc= -0.0795 X(o=-0.08,f=-0.26) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 92:sc= 0.508 USER MOD Single : A 52 ASN : amide:sc= -6.66! C(o=-6.7!,f=-16!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0822 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 44.397 50.744 -37.055 1.00 0.00 N ATOM 2 CA LEU A 1 43.776 50.499 -35.723 1.00 0.00 C ATOM 3 C LEU A 1 42.347 51.046 -35.717 1.00 0.00 C ATOM 4 O LEU A 1 41.388 50.301 -35.700 1.00 0.00 O ATOM 5 CB LEU A 1 44.597 51.205 -34.640 1.00 0.00 C ATOM 6 CG LEU A 1 44.332 50.544 -33.287 1.00 0.00 C ATOM 7 CD1 LEU A 1 44.916 49.130 -33.284 1.00 0.00 C ATOM 8 CD2 LEU A 1 44.992 51.369 -32.180 1.00 0.00 C ATOM 0 H1 LEU A 1 45.368 50.372 -37.059 1.00 0.00 H new ATOM 0 H2 LEU A 1 43.840 50.265 -37.791 1.00 0.00 H new ATOM 0 H3 LEU A 1 44.417 51.766 -37.246 1.00 0.00 H new ATOM 0 HA LEU A 1 43.755 49.428 -35.524 1.00 0.00 H new ATOM 0 HB2 LEU A 1 45.659 51.152 -34.881 1.00 0.00 H new ATOM 0 HB3 LEU A 1 44.332 52.262 -34.599 1.00 0.00 H new ATOM 0 HG LEU A 1 43.257 50.493 -33.113 1.00 0.00 H new ATOM 0 HD11 LEU A 1 44.726 48.660 -32.319 1.00 0.00 H new ATOM 0 HD12 LEU A 1 44.448 48.541 -34.073 1.00 0.00 H new ATOM 0 HD13 LEU A 1 45.991 49.180 -33.458 1.00 0.00 H new ATOM 0 HD21 LEU A 1 44.804 50.899 -31.215 1.00 0.00 H new ATOM 0 HD22 LEU A 1 46.067 51.420 -32.356 1.00 0.00 H new ATOM 0 HD23 LEU A 1 44.576 52.377 -32.180 1.00 0.00 H new ATOM 22 N LYS A 2 42.198 52.343 -35.730 1.00 0.00 N ATOM 23 CA LYS A 2 40.831 52.935 -35.724 1.00 0.00 C ATOM 24 C LYS A 2 40.675 53.871 -36.925 1.00 0.00 C ATOM 25 O LYS A 2 41.587 54.054 -37.705 1.00 0.00 O ATOM 26 CB LYS A 2 40.624 53.725 -34.430 1.00 0.00 C ATOM 27 CG LYS A 2 40.854 52.805 -33.229 1.00 0.00 C ATOM 28 CD LYS A 2 40.628 53.587 -31.934 1.00 0.00 C ATOM 29 CE LYS A 2 39.148 53.526 -31.552 1.00 0.00 C ATOM 30 NZ LYS A 2 38.638 54.907 -31.324 1.00 0.00 N ATOM 0 H LYS A 2 42.963 53.017 -35.744 1.00 0.00 H new ATOM 0 HA LYS A 2 40.089 52.139 -35.786 1.00 0.00 H new ATOM 0 HB2 LYS A 2 41.313 54.569 -34.392 1.00 0.00 H new ATOM 0 HB3 LYS A 2 39.615 54.136 -34.399 1.00 0.00 H new ATOM 0 HG2 LYS A 2 40.175 51.954 -33.275 1.00 0.00 H new ATOM 0 HG3 LYS A 2 41.868 52.406 -33.253 1.00 0.00 H new ATOM 0 HD2 LYS A 2 41.239 53.169 -31.133 1.00 0.00 H new ATOM 0 HD3 LYS A 2 40.938 54.624 -32.064 1.00 0.00 H new ATOM 0 HE2 LYS A 2 38.576 53.042 -32.344 1.00 0.00 H new ATOM 0 HE3 LYS A 2 39.018 52.925 -30.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 37.632 54.867 -31.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 39.177 55.353 -30.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 38.749 55.466 -32.194 1.00 0.00 H new ATOM 44 N LYS A 3 39.521 54.461 -37.082 1.00 0.00 N ATOM 45 CA LYS A 3 39.305 55.380 -38.234 1.00 0.00 C ATOM 46 C LYS A 3 39.186 56.820 -37.730 1.00 0.00 C ATOM 47 O LYS A 3 38.100 57.337 -37.564 1.00 0.00 O ATOM 48 CB LYS A 3 38.016 54.992 -38.958 1.00 0.00 C ATOM 49 CG LYS A 3 38.299 53.842 -39.927 1.00 0.00 C ATOM 50 CD LYS A 3 36.977 53.225 -40.383 1.00 0.00 C ATOM 51 CE LYS A 3 36.567 52.115 -39.411 1.00 0.00 C ATOM 52 NZ LYS A 3 35.087 52.131 -39.234 1.00 0.00 N ATOM 0 H LYS A 3 38.719 54.346 -36.462 1.00 0.00 H new ATOM 0 HA LYS A 3 40.150 55.304 -38.919 1.00 0.00 H new ATOM 0 HB2 LYS A 3 37.257 54.694 -38.235 1.00 0.00 H new ATOM 0 HB3 LYS A 3 37.620 55.850 -39.501 1.00 0.00 H new ATOM 0 HG2 LYS A 3 38.859 54.207 -40.788 1.00 0.00 H new ATOM 0 HG3 LYS A 3 38.917 53.087 -39.442 1.00 0.00 H new ATOM 0 HD2 LYS A 3 36.202 53.990 -40.425 1.00 0.00 H new ATOM 0 HD3 LYS A 3 37.081 52.821 -41.390 1.00 0.00 H new ATOM 0 HE2 LYS A 3 36.888 51.146 -39.793 1.00 0.00 H new ATOM 0 HE3 LYS A 3 37.061 52.258 -38.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 34.808 51.377 -38.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 34.793 53.052 -38.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 34.626 51.975 -40.153 1.00 0.00 H new ATOM 66 N VAL A 4 40.296 57.471 -37.495 1.00 0.00 N ATOM 67 CA VAL A 4 40.256 58.882 -37.009 1.00 0.00 C ATOM 68 C VAL A 4 39.172 59.646 -37.777 1.00 0.00 C ATOM 69 O VAL A 4 39.216 59.749 -38.985 1.00 0.00 O ATOM 70 CB VAL A 4 41.620 59.525 -37.256 1.00 0.00 C ATOM 71 CG1 VAL A 4 41.852 59.668 -38.758 1.00 0.00 C ATOM 72 CG2 VAL A 4 41.663 60.902 -36.605 1.00 0.00 C ATOM 0 H VAL A 4 41.232 57.084 -37.619 1.00 0.00 H new ATOM 0 HA VAL A 4 40.027 58.910 -35.944 1.00 0.00 H new ATOM 0 HB VAL A 4 42.398 58.895 -36.825 1.00 0.00 H new ATOM 0 HG11 VAL A 4 42.825 60.127 -38.934 1.00 0.00 H new ATOM 0 HG12 VAL A 4 41.825 58.684 -39.226 1.00 0.00 H new ATOM 0 HG13 VAL A 4 41.072 60.296 -39.189 1.00 0.00 H new ATOM 0 HG21 VAL A 4 42.637 61.358 -36.783 1.00 0.00 H new ATOM 0 HG22 VAL A 4 40.884 61.532 -37.034 1.00 0.00 H new ATOM 0 HG23 VAL A 4 41.499 60.802 -35.532 1.00 0.00 H new ATOM 82 N VAL A 5 38.181 60.162 -37.095 1.00 0.00 N ATOM 83 CA VAL A 5 37.091 60.881 -37.806 1.00 0.00 C ATOM 84 C VAL A 5 37.406 62.369 -37.945 1.00 0.00 C ATOM 85 O VAL A 5 37.601 63.062 -36.975 1.00 0.00 O ATOM 86 CB VAL A 5 35.779 60.663 -37.046 1.00 0.00 C ATOM 87 CG1 VAL A 5 35.114 62.000 -36.679 1.00 0.00 C ATOM 88 CG2 VAL A 5 34.847 59.859 -37.937 1.00 0.00 C ATOM 0 H VAL A 5 38.083 60.115 -36.081 1.00 0.00 H new ATOM 0 HA VAL A 5 36.996 60.483 -38.816 1.00 0.00 H new ATOM 0 HB VAL A 5 35.987 60.132 -36.117 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.186 61.809 -36.141 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.787 62.580 -36.047 1.00 0.00 H new ATOM 0 HG13 VAL A 5 34.897 62.560 -37.588 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.904 59.690 -37.418 1.00 0.00 H new ATOM 0 HG22 VAL A 5 34.660 60.410 -38.859 1.00 0.00 H new ATOM 0 HG23 VAL A 5 35.308 58.900 -38.174 1.00 0.00 H new ATOM 98 N ALA A 6 37.416 62.868 -39.146 1.00 0.00 N ATOM 99 CA ALA A 6 37.691 64.313 -39.342 1.00 0.00 C ATOM 100 C ALA A 6 36.787 65.137 -38.421 1.00 0.00 C ATOM 101 O ALA A 6 35.993 64.604 -37.674 1.00 0.00 O ATOM 102 CB ALA A 6 37.403 64.691 -40.794 1.00 0.00 C ATOM 0 H ALA A 6 37.246 62.337 -40.000 1.00 0.00 H new ATOM 0 HA ALA A 6 38.736 64.517 -39.107 1.00 0.00 H new ATOM 0 HB1 ALA A 6 37.604 65.752 -40.940 1.00 0.00 H new ATOM 0 HB2 ALA A 6 38.041 64.106 -41.456 1.00 0.00 H new ATOM 0 HB3 ALA A 6 36.357 64.485 -41.023 1.00 0.00 H new ATOM 108 N LEU A 7 36.904 66.436 -38.474 1.00 0.00 N ATOM 109 CA LEU A 7 36.056 67.302 -37.608 1.00 0.00 C ATOM 110 C LEU A 7 35.923 68.682 -38.250 1.00 0.00 C ATOM 111 O LEU A 7 34.848 69.242 -38.332 1.00 0.00 O ATOM 112 CB LEU A 7 36.724 67.444 -36.242 1.00 0.00 C ATOM 113 CG LEU A 7 35.693 67.308 -35.128 1.00 0.00 C ATOM 114 CD1 LEU A 7 34.789 68.542 -35.109 1.00 0.00 C ATOM 115 CD2 LEU A 7 34.846 66.053 -35.353 1.00 0.00 C ATOM 0 H LEU A 7 37.553 66.936 -39.082 1.00 0.00 H new ATOM 0 HA LEU A 7 35.068 66.856 -37.493 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.495 66.683 -36.127 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.219 68.413 -36.171 1.00 0.00 H new ATOM 0 HG LEU A 7 36.210 67.224 -34.172 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.053 68.442 -34.311 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.393 69.433 -34.936 1.00 0.00 H new ATOM 0 HD13 LEU A 7 34.276 68.632 -36.067 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.111 65.962 -34.553 1.00 0.00 H new ATOM 0 HD22 LEU A 7 34.332 66.128 -36.311 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.491 65.174 -35.355 1.00 0.00 H new ATOM 127 N TYR A 8 37.013 69.237 -38.706 1.00 0.00 N ATOM 128 CA TYR A 8 36.956 70.582 -39.340 1.00 0.00 C ATOM 129 C TYR A 8 37.686 70.542 -40.685 1.00 0.00 C ATOM 130 O TYR A 8 38.748 69.965 -40.812 1.00 0.00 O ATOM 131 CB TYR A 8 37.623 71.601 -38.414 1.00 0.00 C ATOM 132 CG TYR A 8 37.105 71.409 -37.008 1.00 0.00 C ATOM 133 CD1 TYR A 8 35.831 71.877 -36.661 1.00 0.00 C ATOM 134 CD2 TYR A 8 37.896 70.763 -36.050 1.00 0.00 C ATOM 135 CE1 TYR A 8 35.349 71.698 -35.358 1.00 0.00 C ATOM 136 CE2 TYR A 8 37.414 70.584 -34.749 1.00 0.00 C ATOM 137 CZ TYR A 8 36.141 71.052 -34.402 1.00 0.00 C ATOM 138 OH TYR A 8 35.667 70.876 -33.119 1.00 0.00 O ATOM 0 H TYR A 8 37.941 68.815 -38.666 1.00 0.00 H new ATOM 0 HA TYR A 8 35.918 70.870 -39.507 1.00 0.00 H new ATOM 0 HB2 TYR A 8 38.706 71.476 -38.436 1.00 0.00 H new ATOM 0 HB3 TYR A 8 37.412 72.614 -38.757 1.00 0.00 H new ATOM 0 HD1 TYR A 8 35.220 72.376 -37.399 1.00 0.00 H new ATOM 0 HD2 TYR A 8 38.879 70.403 -36.316 1.00 0.00 H new ATOM 0 HE1 TYR A 8 34.366 72.058 -35.091 1.00 0.00 H new ATOM 0 HE2 TYR A 8 38.025 70.084 -34.012 1.00 0.00 H new ATOM 0 HH TYR A 8 36.341 70.409 -32.582 1.00 0.00 H new ATOM 148 N ASP A 9 37.118 71.146 -41.694 1.00 0.00 N ATOM 149 CA ASP A 9 37.768 71.139 -43.037 1.00 0.00 C ATOM 150 C ASP A 9 39.270 71.390 -42.891 1.00 0.00 C ATOM 151 O ASP A 9 39.693 72.353 -42.282 1.00 0.00 O ATOM 152 CB ASP A 9 37.152 72.237 -43.907 1.00 0.00 C ATOM 153 CG ASP A 9 36.961 71.713 -45.331 1.00 0.00 C ATOM 154 OD1 ASP A 9 36.615 70.551 -45.473 1.00 0.00 O ATOM 155 OD2 ASP A 9 37.166 72.481 -46.256 1.00 0.00 O ATOM 0 H ASP A 9 36.230 71.645 -41.646 1.00 0.00 H new ATOM 0 HA ASP A 9 37.611 70.167 -43.505 1.00 0.00 H new ATOM 0 HB2 ASP A 9 36.194 72.550 -43.492 1.00 0.00 H new ATOM 0 HB3 ASP A 9 37.798 73.115 -43.915 1.00 0.00 H new ATOM 160 N TYR A 10 40.080 70.531 -43.450 1.00 0.00 N ATOM 161 CA TYR A 10 41.554 70.719 -43.349 1.00 0.00 C ATOM 162 C TYR A 10 42.209 70.307 -44.669 1.00 0.00 C ATOM 163 O TYR A 10 42.605 69.173 -44.850 1.00 0.00 O ATOM 164 CB TYR A 10 42.104 69.848 -42.219 1.00 0.00 C ATOM 165 CG TYR A 10 43.280 70.541 -41.577 1.00 0.00 C ATOM 166 CD1 TYR A 10 44.569 70.338 -42.081 1.00 0.00 C ATOM 167 CD2 TYR A 10 43.081 71.384 -40.479 1.00 0.00 C ATOM 168 CE1 TYR A 10 45.662 70.981 -41.487 1.00 0.00 C ATOM 169 CE2 TYR A 10 44.172 72.026 -39.884 1.00 0.00 C ATOM 170 CZ TYR A 10 45.463 71.825 -40.387 1.00 0.00 C ATOM 171 OH TYR A 10 46.539 72.458 -39.800 1.00 0.00 O ATOM 0 H TYR A 10 39.783 69.707 -43.972 1.00 0.00 H new ATOM 0 HA TYR A 10 41.773 71.766 -43.141 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.327 69.663 -41.477 1.00 0.00 H new ATOM 0 HB3 TYR A 10 42.409 68.877 -42.609 1.00 0.00 H new ATOM 0 HD1 TYR A 10 44.721 69.686 -42.928 1.00 0.00 H new ATOM 0 HD2 TYR A 10 42.085 71.539 -40.091 1.00 0.00 H new ATOM 0 HE1 TYR A 10 46.657 70.826 -41.877 1.00 0.00 H new ATOM 0 HE2 TYR A 10 44.018 72.677 -39.036 1.00 0.00 H new ATOM 0 HH TYR A 10 46.227 73.007 -39.051 1.00 0.00 H new ATOM 181 N MET A 11 42.324 71.219 -45.596 1.00 0.00 N ATOM 182 CA MET A 11 42.950 70.878 -46.901 1.00 0.00 C ATOM 183 C MET A 11 44.474 70.889 -46.758 1.00 0.00 C ATOM 184 O MET A 11 45.009 71.539 -45.882 1.00 0.00 O ATOM 185 CB MET A 11 42.530 71.908 -47.953 1.00 0.00 C ATOM 186 CG MET A 11 42.902 73.312 -47.472 1.00 0.00 C ATOM 187 SD MET A 11 42.976 74.435 -48.889 1.00 0.00 S ATOM 188 CE MET A 11 43.616 75.877 -48.002 1.00 0.00 C ATOM 0 H MET A 11 42.011 72.185 -45.504 1.00 0.00 H new ATOM 0 HA MET A 11 42.622 69.886 -47.211 1.00 0.00 H new ATOM 0 HB2 MET A 11 43.022 71.695 -48.902 1.00 0.00 H new ATOM 0 HB3 MET A 11 41.456 71.846 -48.130 1.00 0.00 H new ATOM 0 HG2 MET A 11 42.166 73.668 -46.751 1.00 0.00 H new ATOM 0 HG3 MET A 11 43.865 73.290 -46.961 1.00 0.00 H new ATOM 0 HE1 MET A 11 43.741 76.706 -48.698 1.00 0.00 H new ATOM 0 HE2 MET A 11 42.914 76.163 -47.219 1.00 0.00 H new ATOM 0 HE3 MET A 11 44.579 75.631 -47.554 1.00 0.00 H new ATOM 198 N PRO A 12 45.128 70.162 -47.629 1.00 0.00 N ATOM 199 CA PRO A 12 46.599 70.060 -47.633 1.00 0.00 C ATOM 200 C PRO A 12 47.220 71.311 -48.264 1.00 0.00 C ATOM 201 O PRO A 12 47.240 71.466 -49.468 1.00 0.00 O ATOM 202 CB PRO A 12 46.868 68.823 -48.493 1.00 0.00 C ATOM 203 CG PRO A 12 45.616 68.626 -49.381 1.00 0.00 C ATOM 204 CD PRO A 12 44.463 69.377 -48.688 1.00 0.00 C ATOM 0 HA PRO A 12 47.028 69.981 -46.634 1.00 0.00 H new ATOM 0 HB2 PRO A 12 47.760 68.962 -49.104 1.00 0.00 H new ATOM 0 HB3 PRO A 12 47.043 67.947 -47.869 1.00 0.00 H new ATOM 0 HG2 PRO A 12 45.786 69.018 -50.384 1.00 0.00 H new ATOM 0 HG3 PRO A 12 45.380 67.567 -49.488 1.00 0.00 H new ATOM 0 HD2 PRO A 12 43.931 70.022 -49.387 1.00 0.00 H new ATOM 0 HD3 PRO A 12 43.731 68.686 -48.271 1.00 0.00 H new ATOM 211 N MET A 13 47.728 72.202 -47.458 1.00 0.00 N ATOM 212 CA MET A 13 48.348 73.438 -48.011 1.00 0.00 C ATOM 213 C MET A 13 49.414 73.056 -49.040 1.00 0.00 C ATOM 214 O MET A 13 49.612 73.737 -50.026 1.00 0.00 O ATOM 215 CB MET A 13 48.996 74.235 -46.876 1.00 0.00 C ATOM 216 CG MET A 13 49.729 73.279 -45.934 1.00 0.00 C ATOM 217 SD MET A 13 48.958 73.337 -44.297 1.00 0.00 S ATOM 218 CE MET A 13 50.021 74.620 -43.591 1.00 0.00 C ATOM 0 H MET A 13 47.740 72.127 -46.441 1.00 0.00 H new ATOM 0 HA MET A 13 47.582 74.047 -48.491 1.00 0.00 H new ATOM 0 HB2 MET A 13 49.694 74.967 -47.284 1.00 0.00 H new ATOM 0 HB3 MET A 13 48.235 74.791 -46.328 1.00 0.00 H new ATOM 0 HG2 MET A 13 49.693 72.264 -46.329 1.00 0.00 H new ATOM 0 HG3 MET A 13 50.781 73.557 -45.863 1.00 0.00 H new ATOM 0 HE1 MET A 13 49.717 74.819 -42.563 1.00 0.00 H new ATOM 0 HE2 MET A 13 51.057 74.282 -43.604 1.00 0.00 H new ATOM 0 HE3 MET A 13 49.930 75.533 -44.180 1.00 0.00 H new ATOM 228 N ASN A 14 50.103 71.970 -48.817 1.00 0.00 N ATOM 229 CA ASN A 14 51.155 71.544 -49.781 1.00 0.00 C ATOM 230 C ASN A 14 50.718 70.253 -50.476 1.00 0.00 C ATOM 231 O ASN A 14 50.191 70.272 -51.570 1.00 0.00 O ATOM 232 CB ASN A 14 52.467 71.301 -49.031 1.00 0.00 C ATOM 233 CG ASN A 14 53.333 72.561 -49.091 1.00 0.00 C ATOM 234 OD1 ASN A 14 53.337 73.262 -50.084 1.00 0.00 O ATOM 235 ND2 ASN A 14 54.070 72.881 -48.063 1.00 0.00 N ATOM 0 H ASN A 14 49.982 71.360 -48.009 1.00 0.00 H new ATOM 0 HA ASN A 14 51.302 72.326 -50.526 1.00 0.00 H new ATOM 0 HB2 ASN A 14 52.261 71.038 -47.993 1.00 0.00 H new ATOM 0 HB3 ASN A 14 53.000 70.460 -49.473 1.00 0.00 H new ATOM 0 HD21 ASN A 14 54.650 73.720 -48.092 1.00 0.00 H new ATOM 0 HD22 ASN A 14 54.066 72.292 -47.230 1.00 0.00 H new ATOM 242 N ALA A 15 50.932 69.130 -49.847 1.00 0.00 N ATOM 243 CA ALA A 15 50.530 67.838 -50.470 1.00 0.00 C ATOM 244 C ALA A 15 50.892 66.685 -49.530 1.00 0.00 C ATOM 245 O ALA A 15 51.672 65.817 -49.869 1.00 0.00 O ATOM 246 CB ALA A 15 51.263 67.662 -51.800 1.00 0.00 C ATOM 0 H ALA A 15 51.368 69.052 -48.928 1.00 0.00 H new ATOM 0 HA ALA A 15 49.454 67.839 -50.647 1.00 0.00 H new ATOM 0 HB1 ALA A 15 50.969 66.716 -52.255 1.00 0.00 H new ATOM 0 HB2 ALA A 15 51.005 68.483 -52.469 1.00 0.00 H new ATOM 0 HB3 ALA A 15 52.339 67.661 -51.625 1.00 0.00 H new ATOM 252 N ASN A 16 50.333 66.670 -48.351 1.00 0.00 N ATOM 253 CA ASN A 16 50.647 65.573 -47.392 1.00 0.00 C ATOM 254 C ASN A 16 49.412 65.266 -46.541 1.00 0.00 C ATOM 255 O ASN A 16 48.909 64.161 -46.538 1.00 0.00 O ATOM 256 CB ASN A 16 51.797 66.008 -46.480 1.00 0.00 C ATOM 257 CG ASN A 16 53.085 66.113 -47.297 1.00 0.00 C ATOM 258 OD1 ASN A 16 53.406 65.227 -48.064 1.00 0.00 O ATOM 259 ND2 ASN A 16 53.844 67.166 -47.165 1.00 0.00 N ATOM 0 H ASN A 16 49.673 67.369 -48.010 1.00 0.00 H new ATOM 0 HA ASN A 16 50.937 64.680 -47.946 1.00 0.00 H new ATOM 0 HB2 ASN A 16 51.567 66.969 -46.020 1.00 0.00 H new ATOM 0 HB3 ASN A 16 51.925 65.289 -45.671 1.00 0.00 H new ATOM 0 HD21 ASN A 16 54.706 67.245 -47.705 1.00 0.00 H new ATOM 0 HD22 ASN A 16 53.576 67.911 -46.522 1.00 0.00 H new ATOM 266 N ASP A 17 48.922 66.236 -45.818 1.00 0.00 N ATOM 267 CA ASP A 17 47.721 66.000 -44.967 1.00 0.00 C ATOM 268 C ASP A 17 46.523 65.665 -45.858 1.00 0.00 C ATOM 269 O ASP A 17 46.413 66.154 -46.965 1.00 0.00 O ATOM 270 CB ASP A 17 47.415 67.261 -44.155 1.00 0.00 C ATOM 271 CG ASP A 17 48.130 67.185 -42.805 1.00 0.00 C ATOM 272 OD1 ASP A 17 49.243 66.687 -42.772 1.00 0.00 O ATOM 273 OD2 ASP A 17 47.552 67.628 -41.826 1.00 0.00 O ATOM 0 H ASP A 17 49.302 67.182 -45.780 1.00 0.00 H new ATOM 0 HA ASP A 17 47.914 65.169 -44.289 1.00 0.00 H new ATOM 0 HB2 ASP A 17 47.741 68.146 -44.702 1.00 0.00 H new ATOM 0 HB3 ASP A 17 46.340 67.357 -44.004 1.00 0.00 H new ATOM 278 N LEU A 18 45.617 64.840 -45.396 1.00 0.00 N ATOM 279 CA LEU A 18 44.440 64.503 -46.244 1.00 0.00 C ATOM 280 C LEU A 18 43.389 65.607 -46.104 1.00 0.00 C ATOM 281 O LEU A 18 43.154 66.116 -45.028 1.00 0.00 O ATOM 282 CB LEU A 18 43.849 63.165 -45.771 1.00 0.00 C ATOM 283 CG LEU A 18 44.280 61.967 -46.653 1.00 0.00 C ATOM 284 CD1 LEU A 18 45.356 62.347 -47.682 1.00 0.00 C ATOM 285 CD2 LEU A 18 44.835 60.872 -45.743 1.00 0.00 C ATOM 0 H LEU A 18 45.642 64.392 -44.480 1.00 0.00 H new ATOM 0 HA LEU A 18 44.743 64.420 -47.288 1.00 0.00 H new ATOM 0 HB2 LEU A 18 44.158 62.981 -44.742 1.00 0.00 H new ATOM 0 HB3 LEU A 18 42.761 63.235 -45.769 1.00 0.00 H new ATOM 0 HG LEU A 18 43.404 61.628 -47.206 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.621 61.470 -48.273 1.00 0.00 H new ATOM 0 HD12 LEU A 18 44.971 63.125 -48.341 1.00 0.00 H new ATOM 0 HD13 LEU A 18 46.241 62.716 -47.164 1.00 0.00 H new ATOM 0 HD21 LEU A 18 45.144 60.019 -46.347 1.00 0.00 H new ATOM 0 HD22 LEU A 18 45.693 61.257 -45.192 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.064 60.558 -45.040 1.00 0.00 H new ATOM 297 N GLN A 19 42.756 65.981 -47.184 1.00 0.00 N ATOM 298 CA GLN A 19 41.718 67.048 -47.104 1.00 0.00 C ATOM 299 C GLN A 19 40.565 66.539 -46.242 1.00 0.00 C ATOM 300 O GLN A 19 39.962 65.526 -46.537 1.00 0.00 O ATOM 301 CB GLN A 19 41.204 67.377 -48.507 1.00 0.00 C ATOM 302 CG GLN A 19 40.054 68.382 -48.406 1.00 0.00 C ATOM 303 CD GLN A 19 39.428 68.585 -49.786 1.00 0.00 C ATOM 304 OE1 GLN A 19 39.263 69.703 -50.233 1.00 0.00 O ATOM 305 NE2 GLN A 19 39.069 67.544 -50.487 1.00 0.00 N ATOM 0 H GLN A 19 42.913 65.595 -48.115 1.00 0.00 H new ATOM 0 HA GLN A 19 42.145 67.950 -46.665 1.00 0.00 H new ATOM 0 HB2 GLN A 19 42.010 67.790 -49.114 1.00 0.00 H new ATOM 0 HB3 GLN A 19 40.864 66.468 -49.004 1.00 0.00 H new ATOM 0 HG2 GLN A 19 39.302 68.021 -47.704 1.00 0.00 H new ATOM 0 HG3 GLN A 19 40.421 69.332 -48.019 1.00 0.00 H new ATOM 0 HE21 GLN A 19 39.207 66.605 -50.113 1.00 0.00 H new ATOM 0 HE22 GLN A 19 38.651 67.669 -51.409 1.00 0.00 H new ATOM 314 N LEU A 20 40.265 67.214 -45.169 1.00 0.00 N ATOM 315 CA LEU A 20 39.164 66.735 -44.290 1.00 0.00 C ATOM 316 C LEU A 20 37.818 67.263 -44.765 1.00 0.00 C ATOM 317 O LEU A 20 37.717 68.314 -45.368 1.00 0.00 O ATOM 318 CB LEU A 20 39.410 67.203 -42.856 1.00 0.00 C ATOM 319 CG LEU A 20 40.709 66.597 -42.310 1.00 0.00 C ATOM 320 CD1 LEU A 20 40.517 66.266 -40.833 1.00 0.00 C ATOM 321 CD2 LEU A 20 41.075 65.314 -43.070 1.00 0.00 C ATOM 0 H LEU A 20 40.730 68.069 -44.864 1.00 0.00 H new ATOM 0 HA LEU A 20 39.146 65.646 -44.330 1.00 0.00 H new ATOM 0 HB2 LEU A 20 39.469 68.291 -42.827 1.00 0.00 H new ATOM 0 HB3 LEU A 20 38.572 66.912 -42.223 1.00 0.00 H new ATOM 0 HG LEU A 20 41.515 67.319 -42.439 1.00 0.00 H new ATOM 0 HD11 LEU A 20 41.435 65.834 -40.435 1.00 0.00 H new ATOM 0 HD12 LEU A 20 40.276 67.177 -40.284 1.00 0.00 H new ATOM 0 HD13 LEU A 20 39.702 65.550 -40.723 1.00 0.00 H new ATOM 0 HD21 LEU A 20 42.000 64.902 -42.665 1.00 0.00 H new ATOM 0 HD22 LEU A 20 40.273 64.584 -42.959 1.00 0.00 H new ATOM 0 HD23 LEU A 20 41.212 65.544 -44.127 1.00 0.00 H new ATOM 333 N ARG A 21 36.782 66.538 -44.469 1.00 0.00 N ATOM 334 CA ARG A 21 35.416 66.974 -44.863 1.00 0.00 C ATOM 335 C ARG A 21 34.500 66.819 -43.658 1.00 0.00 C ATOM 336 O ARG A 21 33.299 66.696 -43.777 1.00 0.00 O ATOM 337 CB ARG A 21 34.904 66.116 -46.023 1.00 0.00 C ATOM 338 CG ARG A 21 35.366 64.671 -45.833 1.00 0.00 C ATOM 339 CD ARG A 21 34.839 63.810 -46.983 1.00 0.00 C ATOM 340 NE ARG A 21 33.493 64.299 -47.394 1.00 0.00 N ATOM 341 CZ ARG A 21 33.213 64.452 -48.659 1.00 0.00 C ATOM 342 NH1 ARG A 21 32.243 63.768 -49.201 1.00 0.00 N ATOM 343 NH2 ARG A 21 33.905 65.290 -49.384 1.00 0.00 N ATOM 0 H ARG A 21 36.822 65.652 -43.965 1.00 0.00 H new ATOM 0 HA ARG A 21 35.435 68.014 -45.189 1.00 0.00 H new ATOM 0 HB2 ARG A 21 33.816 66.158 -46.067 1.00 0.00 H new ATOM 0 HB3 ARG A 21 35.277 66.506 -46.970 1.00 0.00 H new ATOM 0 HG2 ARG A 21 36.455 64.627 -45.802 1.00 0.00 H new ATOM 0 HG3 ARG A 21 35.004 64.285 -44.880 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.527 63.852 -47.828 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.779 62.767 -46.673 1.00 0.00 H new ATOM 0 HE ARG A 21 32.791 64.514 -46.686 1.00 0.00 H new ATOM 0 HH11 ARG A 21 31.703 63.113 -48.636 1.00 0.00 H new ATOM 0 HH12 ARG A 21 32.025 63.888 -50.190 1.00 0.00 H new ATOM 0 HH21 ARG A 21 34.664 65.824 -48.961 1.00 0.00 H new ATOM 0 HH22 ARG A 21 33.686 65.410 -50.373 1.00 0.00 H new ATOM 357 N LYS A 22 35.083 66.837 -42.496 1.00 0.00 N ATOM 358 CA LYS A 22 34.301 66.705 -41.236 1.00 0.00 C ATOM 359 C LYS A 22 33.176 65.681 -41.412 1.00 0.00 C ATOM 360 O LYS A 22 32.121 65.983 -41.936 1.00 0.00 O ATOM 361 CB LYS A 22 33.697 68.058 -40.872 1.00 0.00 C ATOM 362 CG LYS A 22 34.687 69.168 -41.217 1.00 0.00 C ATOM 363 CD LYS A 22 33.965 70.518 -41.205 1.00 0.00 C ATOM 364 CE LYS A 22 33.617 70.922 -42.638 1.00 0.00 C ATOM 365 NZ LYS A 22 32.136 71.004 -42.786 1.00 0.00 N ATOM 0 H LYS A 22 36.089 66.940 -42.362 1.00 0.00 H new ATOM 0 HA LYS A 22 34.967 66.368 -40.441 1.00 0.00 H new ATOM 0 HB2 LYS A 22 32.763 68.208 -41.413 1.00 0.00 H new ATOM 0 HB3 LYS A 22 33.458 68.087 -39.809 1.00 0.00 H new ATOM 0 HG2 LYS A 22 35.506 69.175 -40.498 1.00 0.00 H new ATOM 0 HG3 LYS A 22 35.125 68.987 -42.198 1.00 0.00 H new ATOM 0 HD2 LYS A 22 33.058 70.452 -40.604 1.00 0.00 H new ATOM 0 HD3 LYS A 22 34.598 71.277 -40.745 1.00 0.00 H new ATOM 0 HE2 LYS A 22 34.071 71.884 -42.876 1.00 0.00 H new ATOM 0 HE3 LYS A 22 34.024 70.195 -43.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 31.899 71.279 -43.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 31.714 70.077 -42.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 31.760 71.714 -42.125 1.00 0.00 H new ATOM 379 N GLY A 23 33.386 64.477 -40.966 1.00 0.00 N ATOM 380 CA GLY A 23 32.325 63.439 -41.102 1.00 0.00 C ATOM 381 C GLY A 23 32.966 62.130 -41.552 1.00 0.00 C ATOM 382 O GLY A 23 33.062 61.183 -40.798 1.00 0.00 O ATOM 0 H GLY A 23 34.245 64.165 -40.513 1.00 0.00 H new ATOM 0 HA2 GLY A 23 31.811 63.299 -40.151 1.00 0.00 H new ATOM 0 HA3 GLY A 23 31.575 63.759 -41.825 1.00 0.00 H new ATOM 386 N ASP A 24 33.422 62.074 -42.771 1.00 0.00 N ATOM 387 CA ASP A 24 34.071 60.829 -43.257 1.00 0.00 C ATOM 388 C ASP A 24 35.239 60.496 -42.332 1.00 0.00 C ATOM 389 O ASP A 24 36.031 61.349 -41.986 1.00 0.00 O ATOM 390 CB ASP A 24 34.593 61.041 -44.677 1.00 0.00 C ATOM 391 CG ASP A 24 33.414 61.163 -45.643 1.00 0.00 C ATOM 392 OD1 ASP A 24 32.790 62.212 -45.658 1.00 0.00 O ATOM 393 OD2 ASP A 24 33.153 60.205 -46.352 1.00 0.00 O ATOM 0 H ASP A 24 33.373 62.834 -43.449 1.00 0.00 H new ATOM 0 HA ASP A 24 33.349 60.012 -43.261 1.00 0.00 H new ATOM 0 HB2 ASP A 24 35.206 61.941 -44.720 1.00 0.00 H new ATOM 0 HB3 ASP A 24 35.231 60.207 -44.969 1.00 0.00 H new ATOM 398 N GLU A 25 35.351 59.268 -41.921 1.00 0.00 N ATOM 399 CA GLU A 25 36.467 58.895 -41.011 1.00 0.00 C ATOM 400 C GLU A 25 37.684 58.482 -41.836 1.00 0.00 C ATOM 401 O GLU A 25 37.590 58.233 -43.022 1.00 0.00 O ATOM 402 CB GLU A 25 36.037 57.729 -40.116 1.00 0.00 C ATOM 403 CG GLU A 25 34.530 57.805 -39.859 1.00 0.00 C ATOM 404 CD GLU A 25 33.804 56.829 -40.786 1.00 0.00 C ATOM 405 OE1 GLU A 25 34.297 55.726 -40.955 1.00 0.00 O ATOM 406 OE2 GLU A 25 32.768 57.200 -41.310 1.00 0.00 O ATOM 0 H GLU A 25 34.721 58.507 -42.174 1.00 0.00 H new ATOM 0 HA GLU A 25 36.724 59.752 -40.388 1.00 0.00 H new ATOM 0 HB2 GLU A 25 36.287 56.781 -40.592 1.00 0.00 H new ATOM 0 HB3 GLU A 25 36.579 57.764 -39.171 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.315 57.562 -38.818 1.00 0.00 H new ATOM 0 HG3 GLU A 25 34.172 58.820 -40.030 1.00 0.00 H new ATOM 413 N TYR A 26 38.828 58.408 -41.214 1.00 0.00 N ATOM 414 CA TYR A 26 40.058 58.016 -41.952 1.00 0.00 C ATOM 415 C TYR A 26 40.715 56.821 -41.249 1.00 0.00 C ATOM 416 O TYR A 26 41.001 56.861 -40.067 1.00 0.00 O ATOM 417 CB TYR A 26 41.030 59.202 -41.975 1.00 0.00 C ATOM 418 CG TYR A 26 40.266 60.476 -42.261 1.00 0.00 C ATOM 419 CD1 TYR A 26 39.251 60.476 -43.223 1.00 0.00 C ATOM 420 CD2 TYR A 26 40.572 61.659 -41.570 1.00 0.00 C ATOM 421 CE1 TYR A 26 38.543 61.648 -43.501 1.00 0.00 C ATOM 422 CE2 TYR A 26 39.863 62.832 -41.852 1.00 0.00 C ATOM 423 CZ TYR A 26 38.848 62.824 -42.818 1.00 0.00 C ATOM 424 OH TYR A 26 38.154 63.981 -43.104 1.00 0.00 O ATOM 0 H TYR A 26 38.963 58.603 -40.222 1.00 0.00 H new ATOM 0 HA TYR A 26 39.803 57.735 -42.974 1.00 0.00 H new ATOM 0 HB2 TYR A 26 41.546 59.282 -41.018 1.00 0.00 H new ATOM 0 HB3 TYR A 26 41.794 59.045 -42.736 1.00 0.00 H new ATOM 0 HD1 TYR A 26 39.013 59.566 -43.754 1.00 0.00 H new ATOM 0 HD2 TYR A 26 41.352 61.664 -40.823 1.00 0.00 H new ATOM 0 HE1 TYR A 26 37.760 61.643 -44.245 1.00 0.00 H new ATOM 0 HE2 TYR A 26 40.098 63.745 -41.324 1.00 0.00 H new ATOM 0 HH TYR A 26 37.246 63.754 -43.396 1.00 0.00 H new ATOM 434 N PHE A 27 40.960 55.760 -41.971 1.00 0.00 N ATOM 435 CA PHE A 27 41.603 54.565 -41.356 1.00 0.00 C ATOM 436 C PHE A 27 43.082 54.864 -41.159 1.00 0.00 C ATOM 437 O PHE A 27 43.719 55.453 -42.007 1.00 0.00 O ATOM 438 CB PHE A 27 41.438 53.353 -42.276 1.00 0.00 C ATOM 439 CG PHE A 27 41.669 52.087 -41.484 1.00 0.00 C ATOM 440 CD1 PHE A 27 40.601 51.469 -40.823 1.00 0.00 C ATOM 441 CD2 PHE A 27 42.953 51.532 -41.411 1.00 0.00 C ATOM 442 CE1 PHE A 27 40.816 50.296 -40.089 1.00 0.00 C ATOM 443 CE2 PHE A 27 43.168 50.361 -40.676 1.00 0.00 C ATOM 444 CZ PHE A 27 42.100 49.742 -40.015 1.00 0.00 C ATOM 0 H PHE A 27 40.741 55.670 -42.963 1.00 0.00 H new ATOM 0 HA PHE A 27 41.134 54.341 -40.398 1.00 0.00 H new ATOM 0 HB2 PHE A 27 40.438 53.346 -42.711 1.00 0.00 H new ATOM 0 HB3 PHE A 27 42.145 53.412 -43.103 1.00 0.00 H new ATOM 0 HD1 PHE A 27 39.611 51.897 -40.879 1.00 0.00 H new ATOM 0 HD2 PHE A 27 43.777 52.008 -41.922 1.00 0.00 H new ATOM 0 HE1 PHE A 27 39.992 49.819 -39.580 1.00 0.00 H new ATOM 0 HE2 PHE A 27 44.158 49.934 -40.618 1.00 0.00 H new ATOM 0 HZ PHE A 27 42.266 48.838 -39.448 1.00 0.00 H new ATOM 454 N ILE A 28 43.628 54.495 -40.039 1.00 0.00 N ATOM 455 CA ILE A 28 45.057 54.802 -39.787 1.00 0.00 C ATOM 456 C ILE A 28 45.967 53.701 -40.302 1.00 0.00 C ATOM 457 O ILE A 28 46.200 52.705 -39.647 1.00 0.00 O ATOM 458 CB ILE A 28 45.272 54.999 -38.292 1.00 0.00 C ATOM 459 CG1 ILE A 28 44.171 55.915 -37.732 1.00 0.00 C ATOM 460 CG2 ILE A 28 46.642 55.638 -38.064 1.00 0.00 C ATOM 461 CD1 ILE A 28 43.785 56.989 -38.763 1.00 0.00 C ATOM 0 H ILE A 28 43.148 53.996 -39.290 1.00 0.00 H new ATOM 0 HA ILE A 28 45.311 55.716 -40.325 1.00 0.00 H new ATOM 0 HB ILE A 28 45.230 54.036 -37.782 1.00 0.00 H new ATOM 0 HG12 ILE A 28 43.295 55.322 -37.471 1.00 0.00 H new ATOM 0 HG13 ILE A 28 44.518 56.391 -36.815 1.00 0.00 H new ATOM 0 HG21 ILE A 28 46.803 55.782 -36.996 1.00 0.00 H new ATOM 0 HG22 ILE A 28 47.419 54.986 -38.463 1.00 0.00 H new ATOM 0 HG23 ILE A 28 46.682 56.602 -38.570 1.00 0.00 H new ATOM 0 HD11 ILE A 28 43.005 57.627 -38.349 1.00 0.00 H new ATOM 0 HD12 ILE A 28 44.659 57.594 -39.003 1.00 0.00 H new ATOM 0 HD13 ILE A 28 43.417 56.508 -39.669 1.00 0.00 H new ATOM 473 N LEU A 29 46.516 53.903 -41.463 1.00 0.00 N ATOM 474 CA LEU A 29 47.451 52.917 -42.027 1.00 0.00 C ATOM 475 C LEU A 29 48.673 52.842 -41.107 1.00 0.00 C ATOM 476 O LEU A 29 49.474 51.932 -41.185 1.00 0.00 O ATOM 477 CB LEU A 29 47.867 53.405 -43.413 1.00 0.00 C ATOM 478 CG LEU A 29 46.708 53.234 -44.398 1.00 0.00 C ATOM 479 CD1 LEU A 29 46.080 51.851 -44.231 1.00 0.00 C ATOM 480 CD2 LEU A 29 45.647 54.308 -44.148 1.00 0.00 C ATOM 0 H LEU A 29 46.350 54.722 -42.047 1.00 0.00 H new ATOM 0 HA LEU A 29 46.995 51.930 -42.107 1.00 0.00 H new ATOM 0 HB2 LEU A 29 48.163 54.453 -43.365 1.00 0.00 H new ATOM 0 HB3 LEU A 29 48.735 52.844 -43.759 1.00 0.00 H new ATOM 0 HG LEU A 29 47.092 53.335 -45.413 1.00 0.00 H new ATOM 0 HD11 LEU A 29 45.256 51.738 -44.936 1.00 0.00 H new ATOM 0 HD12 LEU A 29 46.831 51.085 -44.424 1.00 0.00 H new ATOM 0 HD13 LEU A 29 45.705 51.742 -43.214 1.00 0.00 H new ATOM 0 HD21 LEU A 29 44.826 54.179 -44.853 1.00 0.00 H new ATOM 0 HD22 LEU A 29 45.269 54.216 -43.130 1.00 0.00 H new ATOM 0 HD23 LEU A 29 46.090 55.295 -44.283 1.00 0.00 H new ATOM 492 N GLU A 30 48.811 53.804 -40.227 1.00 0.00 N ATOM 493 CA GLU A 30 49.964 53.814 -39.285 1.00 0.00 C ATOM 494 C GLU A 30 49.854 55.049 -38.390 1.00 0.00 C ATOM 495 O GLU A 30 49.237 56.032 -38.751 1.00 0.00 O ATOM 496 CB GLU A 30 51.275 53.865 -40.072 1.00 0.00 C ATOM 497 CG GLU A 30 51.111 54.792 -41.276 1.00 0.00 C ATOM 498 CD GLU A 30 52.407 55.573 -41.499 1.00 0.00 C ATOM 499 OE1 GLU A 30 52.712 56.424 -40.679 1.00 0.00 O ATOM 500 OE2 GLU A 30 53.074 55.306 -42.485 1.00 0.00 O ATOM 0 H GLU A 30 48.166 54.588 -40.124 1.00 0.00 H new ATOM 0 HA GLU A 30 49.953 52.910 -38.676 1.00 0.00 H new ATOM 0 HB2 GLU A 30 52.082 54.222 -39.432 1.00 0.00 H new ATOM 0 HB3 GLU A 30 51.551 52.864 -40.405 1.00 0.00 H new ATOM 0 HG2 GLU A 30 50.867 54.211 -42.165 1.00 0.00 H new ATOM 0 HG3 GLU A 30 50.283 55.481 -41.108 1.00 0.00 H new ATOM 507 N GLU A 31 50.441 55.016 -37.226 1.00 0.00 N ATOM 508 CA GLU A 31 50.356 56.197 -36.322 1.00 0.00 C ATOM 509 C GLU A 31 51.765 56.601 -35.877 1.00 0.00 C ATOM 510 O GLU A 31 52.742 56.311 -36.537 1.00 0.00 O ATOM 511 CB GLU A 31 49.517 55.838 -35.093 1.00 0.00 C ATOM 512 CG GLU A 31 50.288 54.844 -34.222 1.00 0.00 C ATOM 513 CD GLU A 31 49.360 53.700 -33.810 1.00 0.00 C ATOM 514 OE1 GLU A 31 48.393 53.967 -33.118 1.00 0.00 O ATOM 515 OE2 GLU A 31 49.635 52.574 -34.194 1.00 0.00 O ATOM 0 H GLU A 31 50.974 54.226 -36.863 1.00 0.00 H new ATOM 0 HA GLU A 31 49.889 57.028 -36.851 1.00 0.00 H new ATOM 0 HB2 GLU A 31 49.287 56.737 -34.521 1.00 0.00 H new ATOM 0 HB3 GLU A 31 48.566 55.405 -35.403 1.00 0.00 H new ATOM 0 HG2 GLU A 31 51.145 54.452 -34.770 1.00 0.00 H new ATOM 0 HG3 GLU A 31 50.679 55.346 -33.337 1.00 0.00 H new ATOM 522 N SER A 32 51.875 57.266 -34.759 1.00 0.00 N ATOM 523 CA SER A 32 53.219 57.686 -34.270 1.00 0.00 C ATOM 524 C SER A 32 53.059 58.512 -32.992 1.00 0.00 C ATOM 525 O SER A 32 52.036 58.470 -32.338 1.00 0.00 O ATOM 526 CB SER A 32 53.912 58.530 -35.339 1.00 0.00 C ATOM 527 OG SER A 32 55.090 57.864 -35.773 1.00 0.00 O ATOM 0 H SER A 32 51.092 57.536 -34.163 1.00 0.00 H new ATOM 0 HA SER A 32 53.822 56.802 -34.060 1.00 0.00 H new ATOM 0 HB2 SER A 32 53.241 58.692 -36.182 1.00 0.00 H new ATOM 0 HB3 SER A 32 54.163 59.512 -34.938 1.00 0.00 H new ATOM 0 HG SER A 32 54.845 57.040 -36.244 1.00 0.00 H new ATOM 533 N ASN A 33 54.063 59.264 -32.629 1.00 0.00 N ATOM 534 CA ASN A 33 53.965 60.091 -31.393 1.00 0.00 C ATOM 535 C ASN A 33 53.138 61.345 -31.683 1.00 0.00 C ATOM 536 O ASN A 33 52.226 61.681 -30.955 1.00 0.00 O ATOM 537 CB ASN A 33 55.368 60.499 -30.936 1.00 0.00 C ATOM 538 CG ASN A 33 56.183 60.969 -32.143 1.00 0.00 C ATOM 539 OD1 ASN A 33 55.663 61.083 -33.235 1.00 0.00 O ATOM 540 ND2 ASN A 33 57.449 61.248 -31.990 1.00 0.00 N ATOM 0 H ASN A 33 54.946 59.341 -33.135 1.00 0.00 H new ATOM 0 HA ASN A 33 53.483 59.511 -30.606 1.00 0.00 H new ATOM 0 HB2 ASN A 33 55.303 61.296 -30.195 1.00 0.00 H new ATOM 0 HB3 ASN A 33 55.864 59.656 -30.455 1.00 0.00 H new ATOM 0 HD21 ASN A 33 58.002 61.562 -32.787 1.00 0.00 H new ATOM 0 HD22 ASN A 33 57.885 61.152 -31.073 1.00 0.00 H new ATOM 547 N LEU A 34 53.448 62.038 -32.745 1.00 0.00 N ATOM 548 CA LEU A 34 52.679 63.268 -33.082 1.00 0.00 C ATOM 549 C LEU A 34 51.179 62.957 -33.047 1.00 0.00 C ATOM 550 O LEU A 34 50.789 61.808 -32.989 1.00 0.00 O ATOM 551 CB LEU A 34 53.073 63.744 -34.483 1.00 0.00 C ATOM 552 CG LEU A 34 54.159 64.815 -34.370 1.00 0.00 C ATOM 553 CD1 LEU A 34 55.304 64.485 -35.329 1.00 0.00 C ATOM 554 CD2 LEU A 34 53.569 66.180 -34.734 1.00 0.00 C ATOM 0 H LEU A 34 54.200 61.805 -33.393 1.00 0.00 H new ATOM 0 HA LEU A 34 52.903 64.050 -32.357 1.00 0.00 H new ATOM 0 HB2 LEU A 34 53.436 62.904 -35.076 1.00 0.00 H new ATOM 0 HB3 LEU A 34 52.202 64.147 -35.000 1.00 0.00 H new ATOM 0 HG LEU A 34 54.537 64.842 -33.348 1.00 0.00 H new ATOM 0 HD11 LEU A 34 56.078 65.248 -35.248 1.00 0.00 H new ATOM 0 HD12 LEU A 34 55.725 63.513 -35.072 1.00 0.00 H new ATOM 0 HD13 LEU A 34 54.926 64.458 -36.351 1.00 0.00 H new ATOM 0 HD21 LEU A 34 54.342 66.944 -34.654 1.00 0.00 H new ATOM 0 HD22 LEU A 34 53.191 66.152 -35.756 1.00 0.00 H new ATOM 0 HD23 LEU A 34 52.753 66.417 -34.052 1.00 0.00 H new ATOM 566 N PRO A 35 50.382 63.995 -33.081 1.00 0.00 N ATOM 567 CA PRO A 35 48.914 63.870 -33.053 1.00 0.00 C ATOM 568 C PRO A 35 48.381 63.434 -34.422 1.00 0.00 C ATOM 569 O PRO A 35 47.483 62.620 -34.518 1.00 0.00 O ATOM 570 CB PRO A 35 48.440 65.282 -32.697 1.00 0.00 C ATOM 571 CG PRO A 35 49.589 66.240 -33.087 1.00 0.00 C ATOM 572 CD PRO A 35 50.871 65.388 -33.153 1.00 0.00 C ATOM 0 HA PRO A 35 48.562 63.119 -32.346 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.526 65.532 -33.236 1.00 0.00 H new ATOM 0 HB3 PRO A 35 48.214 65.359 -31.633 1.00 0.00 H new ATOM 0 HG2 PRO A 35 49.389 66.714 -34.048 1.00 0.00 H new ATOM 0 HG3 PRO A 35 49.693 67.039 -32.353 1.00 0.00 H new ATOM 0 HD2 PRO A 35 51.423 65.569 -34.075 1.00 0.00 H new ATOM 0 HD3 PRO A 35 51.545 65.617 -32.327 1.00 0.00 H new ATOM 579 N TRP A 36 48.930 63.960 -35.485 1.00 0.00 N ATOM 580 CA TRP A 36 48.453 63.561 -36.841 1.00 0.00 C ATOM 581 C TRP A 36 49.088 62.217 -37.211 1.00 0.00 C ATOM 582 O TRP A 36 50.153 61.881 -36.735 1.00 0.00 O ATOM 583 CB TRP A 36 48.864 64.617 -37.877 1.00 0.00 C ATOM 584 CG TRP A 36 49.069 65.945 -37.216 1.00 0.00 C ATOM 585 CD1 TRP A 36 48.285 66.461 -36.241 1.00 0.00 C ATOM 586 CD2 TRP A 36 50.112 66.933 -37.466 1.00 0.00 C ATOM 587 NE1 TRP A 36 48.777 67.702 -35.882 1.00 0.00 N ATOM 588 CE2 TRP A 36 49.903 68.036 -36.606 1.00 0.00 C ATOM 589 CE3 TRP A 36 51.207 66.978 -38.346 1.00 0.00 C ATOM 590 CZ2 TRP A 36 50.750 69.145 -36.619 1.00 0.00 C ATOM 591 CZ3 TRP A 36 52.063 68.092 -38.362 1.00 0.00 C ATOM 592 CH2 TRP A 36 51.833 69.173 -37.500 1.00 0.00 C ATOM 0 H TRP A 36 49.685 64.646 -35.473 1.00 0.00 H new ATOM 0 HA TRP A 36 47.366 63.477 -36.833 1.00 0.00 H new ATOM 0 HB2 TRP A 36 49.782 64.307 -38.377 1.00 0.00 H new ATOM 0 HB3 TRP A 36 48.095 64.701 -38.645 1.00 0.00 H new ATOM 0 HD1 TRP A 36 47.417 65.982 -35.813 1.00 0.00 H new ATOM 0 HE1 TRP A 36 48.358 68.298 -35.168 1.00 0.00 H new ATOM 0 HE3 TRP A 36 51.392 66.150 -39.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 50.569 69.975 -35.953 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 52.902 68.115 -39.042 1.00 0.00 H new ATOM 0 HH2 TRP A 36 52.493 70.027 -37.517 1.00 0.00 H new ATOM 603 N TRP A 37 48.453 61.444 -38.056 1.00 0.00 N ATOM 604 CA TRP A 37 49.052 60.132 -38.435 1.00 0.00 C ATOM 605 C TRP A 37 49.082 60.015 -39.959 1.00 0.00 C ATOM 606 O TRP A 37 48.945 60.992 -40.660 1.00 0.00 O ATOM 607 CB TRP A 37 48.225 58.990 -37.831 1.00 0.00 C ATOM 608 CG TRP A 37 48.405 58.980 -36.347 1.00 0.00 C ATOM 609 CD1 TRP A 37 49.496 59.440 -35.694 1.00 0.00 C ATOM 610 CD2 TRP A 37 47.492 58.490 -35.321 1.00 0.00 C ATOM 611 NE1 TRP A 37 49.311 59.266 -34.333 1.00 0.00 N ATOM 612 CE2 TRP A 37 48.091 58.685 -34.054 1.00 0.00 C ATOM 613 CE3 TRP A 37 46.215 57.903 -35.367 1.00 0.00 C ATOM 614 CZ2 TRP A 37 47.446 58.310 -32.875 1.00 0.00 C ATOM 615 CZ3 TRP A 37 45.563 57.524 -34.181 1.00 0.00 C ATOM 616 CH2 TRP A 37 46.178 57.727 -32.939 1.00 0.00 C ATOM 0 H TRP A 37 47.558 61.662 -38.494 1.00 0.00 H new ATOM 0 HA TRP A 37 50.070 60.067 -38.050 1.00 0.00 H new ATOM 0 HB2 TRP A 37 47.172 59.118 -38.080 1.00 0.00 H new ATOM 0 HB3 TRP A 37 48.539 58.035 -38.253 1.00 0.00 H new ATOM 0 HD1 TRP A 37 50.370 59.873 -36.159 1.00 0.00 H new ATOM 0 HE1 TRP A 37 49.993 59.534 -33.624 1.00 0.00 H new ATOM 0 HE3 TRP A 37 45.732 57.742 -36.320 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 47.924 58.469 -31.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 44.582 57.074 -34.228 1.00 0.00 H new ATOM 0 HH2 TRP A 37 45.672 57.433 -32.031 1.00 0.00 H new ATOM 627 N ARG A 38 49.247 58.830 -40.476 1.00 0.00 N ATOM 628 CA ARG A 38 49.278 58.653 -41.954 1.00 0.00 C ATOM 629 C ARG A 38 48.134 57.726 -42.331 1.00 0.00 C ATOM 630 O ARG A 38 48.294 56.528 -42.447 1.00 0.00 O ATOM 631 CB ARG A 38 50.612 58.037 -42.381 1.00 0.00 C ATOM 632 CG ARG A 38 50.748 58.118 -43.902 1.00 0.00 C ATOM 633 CD ARG A 38 51.697 57.023 -44.391 1.00 0.00 C ATOM 634 NE ARG A 38 51.398 56.705 -45.816 1.00 0.00 N ATOM 635 CZ ARG A 38 52.359 56.339 -46.619 1.00 0.00 C ATOM 636 NH1 ARG A 38 53.426 57.080 -46.742 1.00 0.00 N ATOM 637 NH2 ARG A 38 52.253 55.230 -47.300 1.00 0.00 N ATOM 0 H ARG A 38 49.362 57.973 -39.936 1.00 0.00 H new ATOM 0 HA ARG A 38 49.172 59.615 -42.455 1.00 0.00 H new ATOM 0 HB2 ARG A 38 51.438 58.564 -41.903 1.00 0.00 H new ATOM 0 HB3 ARG A 38 50.666 56.998 -42.055 1.00 0.00 H new ATOM 0 HG2 ARG A 38 49.771 58.003 -44.371 1.00 0.00 H new ATOM 0 HG3 ARG A 38 51.127 59.098 -44.192 1.00 0.00 H new ATOM 0 HD2 ARG A 38 52.731 57.352 -44.290 1.00 0.00 H new ATOM 0 HD3 ARG A 38 51.585 56.129 -43.777 1.00 0.00 H new ATOM 0 HE ARG A 38 50.442 56.774 -46.164 1.00 0.00 H new ATOM 0 HH11 ARG A 38 53.509 57.946 -46.210 1.00 0.00 H new ATOM 0 HH12 ARG A 38 54.177 56.793 -47.370 1.00 0.00 H new ATOM 0 HH21 ARG A 38 51.419 54.650 -47.204 1.00 0.00 H new ATOM 0 HH22 ARG A 38 53.004 54.943 -47.928 1.00 0.00 H new ATOM 651 N ALA A 39 46.971 58.277 -42.481 1.00 0.00 N ATOM 652 CA ALA A 39 45.785 57.449 -42.804 1.00 0.00 C ATOM 653 C ALA A 39 45.306 57.744 -44.224 1.00 0.00 C ATOM 654 O ALA A 39 45.770 58.658 -44.870 1.00 0.00 O ATOM 655 CB ALA A 39 44.677 57.826 -41.823 1.00 0.00 C ATOM 0 H ALA A 39 46.788 59.277 -42.393 1.00 0.00 H new ATOM 0 HA ALA A 39 46.038 56.391 -42.731 1.00 0.00 H new ATOM 0 HB1 ALA A 39 43.787 57.233 -42.034 1.00 0.00 H new ATOM 0 HB2 ALA A 39 45.011 57.630 -40.804 1.00 0.00 H new ATOM 0 HB3 ALA A 39 44.441 58.885 -41.930 1.00 0.00 H new ATOM 661 N ARG A 40 44.358 56.988 -44.698 1.00 0.00 N ATOM 662 CA ARG A 40 43.813 57.232 -46.061 1.00 0.00 C ATOM 663 C ARG A 40 42.375 57.722 -45.901 1.00 0.00 C ATOM 664 O ARG A 40 41.479 56.957 -45.604 1.00 0.00 O ATOM 665 CB ARG A 40 43.833 55.928 -46.865 1.00 0.00 C ATOM 666 CG ARG A 40 42.974 56.081 -48.122 1.00 0.00 C ATOM 667 CD ARG A 40 42.778 54.711 -48.773 1.00 0.00 C ATOM 668 NE ARG A 40 42.209 53.763 -47.774 1.00 0.00 N ATOM 669 CZ ARG A 40 42.698 52.558 -47.666 1.00 0.00 C ATOM 670 NH1 ARG A 40 43.986 52.365 -47.758 1.00 0.00 N ATOM 671 NH2 ARG A 40 41.900 51.544 -47.469 1.00 0.00 N ATOM 0 H ARG A 40 43.935 56.207 -44.197 1.00 0.00 H new ATOM 0 HA ARG A 40 44.413 57.973 -46.590 1.00 0.00 H new ATOM 0 HB2 ARG A 40 44.857 55.676 -47.142 1.00 0.00 H new ATOM 0 HB3 ARG A 40 43.457 55.107 -46.254 1.00 0.00 H new ATOM 0 HG2 ARG A 40 42.008 56.515 -47.865 1.00 0.00 H new ATOM 0 HG3 ARG A 40 43.454 56.764 -48.823 1.00 0.00 H new ATOM 0 HD2 ARG A 40 42.111 54.796 -49.631 1.00 0.00 H new ATOM 0 HD3 ARG A 40 43.730 54.334 -49.146 1.00 0.00 H new ATOM 0 HE ARG A 40 41.437 54.056 -47.175 1.00 0.00 H new ATOM 0 HH11 ARG A 40 44.610 53.156 -47.914 1.00 0.00 H new ATOM 0 HH12 ARG A 40 44.368 51.423 -47.674 1.00 0.00 H new ATOM 0 HH21 ARG A 40 40.893 51.693 -47.399 1.00 0.00 H new ATOM 0 HH22 ARG A 40 42.283 50.602 -47.385 1.00 0.00 H new ATOM 685 N ASP A 41 42.150 58.996 -46.062 1.00 0.00 N ATOM 686 CA ASP A 41 40.770 59.528 -45.880 1.00 0.00 C ATOM 687 C ASP A 41 39.786 58.768 -46.771 1.00 0.00 C ATOM 688 O ASP A 41 40.157 57.880 -47.514 1.00 0.00 O ATOM 689 CB ASP A 41 40.735 61.016 -46.226 1.00 0.00 C ATOM 690 CG ASP A 41 41.155 61.216 -47.683 1.00 0.00 C ATOM 691 OD1 ASP A 41 41.659 60.272 -48.269 1.00 0.00 O ATOM 692 OD2 ASP A 41 40.964 62.309 -48.189 1.00 0.00 O ATOM 0 H ASP A 41 42.857 59.688 -46.310 1.00 0.00 H new ATOM 0 HA ASP A 41 40.479 59.394 -44.838 1.00 0.00 H new ATOM 0 HB2 ASP A 41 39.732 61.412 -46.069 1.00 0.00 H new ATOM 0 HB3 ASP A 41 41.403 61.569 -45.566 1.00 0.00 H new ATOM 697 N LYS A 42 38.527 59.108 -46.689 1.00 0.00 N ATOM 698 CA LYS A 42 37.503 58.410 -47.517 1.00 0.00 C ATOM 699 C LYS A 42 37.716 58.745 -48.994 1.00 0.00 C ATOM 700 O LYS A 42 37.085 58.179 -49.866 1.00 0.00 O ATOM 701 CB LYS A 42 36.105 58.865 -47.087 1.00 0.00 C ATOM 702 CG LYS A 42 35.836 60.275 -47.621 1.00 0.00 C ATOM 703 CD LYS A 42 34.782 60.209 -48.726 1.00 0.00 C ATOM 704 CE LYS A 42 35.423 60.574 -50.066 1.00 0.00 C ATOM 705 NZ LYS A 42 34.989 61.942 -50.468 1.00 0.00 N ATOM 0 H LYS A 42 38.163 59.842 -46.081 1.00 0.00 H new ATOM 0 HA LYS A 42 37.597 57.333 -47.375 1.00 0.00 H new ATOM 0 HB2 LYS A 42 35.354 58.172 -47.466 1.00 0.00 H new ATOM 0 HB3 LYS A 42 36.027 58.856 -46.000 1.00 0.00 H new ATOM 0 HG2 LYS A 42 35.492 60.922 -46.814 1.00 0.00 H new ATOM 0 HG3 LYS A 42 36.757 60.711 -48.008 1.00 0.00 H new ATOM 0 HD2 LYS A 42 34.355 59.207 -48.776 1.00 0.00 H new ATOM 0 HD3 LYS A 42 33.964 60.894 -48.504 1.00 0.00 H new ATOM 0 HE2 LYS A 42 36.509 60.535 -49.984 1.00 0.00 H new ATOM 0 HE3 LYS A 42 35.134 59.851 -50.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 35.425 62.191 -51.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 33.953 61.964 -50.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 35.286 62.627 -49.744 1.00 0.00 H new ATOM 719 N ASN A 43 38.598 59.660 -49.284 1.00 0.00 N ATOM 720 CA ASN A 43 38.848 60.029 -50.705 1.00 0.00 C ATOM 721 C ASN A 43 39.857 59.055 -51.314 1.00 0.00 C ATOM 722 O ASN A 43 40.426 59.309 -52.358 1.00 0.00 O ATOM 723 CB ASN A 43 39.409 61.451 -50.769 1.00 0.00 C ATOM 724 CG ASN A 43 39.163 62.035 -52.162 1.00 0.00 C ATOM 725 OD1 ASN A 43 38.424 62.987 -52.312 1.00 0.00 O ATOM 726 ND2 ASN A 43 39.756 61.499 -53.195 1.00 0.00 N ATOM 0 H ASN A 43 39.157 60.168 -48.598 1.00 0.00 H new ATOM 0 HA ASN A 43 37.914 59.980 -51.264 1.00 0.00 H new ATOM 0 HB2 ASN A 43 38.934 62.075 -50.012 1.00 0.00 H new ATOM 0 HB3 ASN A 43 40.477 61.442 -50.550 1.00 0.00 H new ATOM 0 HD21 ASN A 43 39.598 61.880 -54.128 1.00 0.00 H new ATOM 0 HD22 ASN A 43 40.377 60.699 -53.069 1.00 0.00 H new ATOM 733 N GLY A 44 40.088 57.943 -50.672 1.00 0.00 N ATOM 734 CA GLY A 44 41.062 56.960 -51.214 1.00 0.00 C ATOM 735 C GLY A 44 42.412 57.645 -51.410 1.00 0.00 C ATOM 736 O GLY A 44 43.037 57.524 -52.444 1.00 0.00 O ATOM 0 H GLY A 44 39.643 57.674 -49.795 1.00 0.00 H new ATOM 0 HA2 GLY A 44 41.164 56.117 -50.530 1.00 0.00 H new ATOM 0 HA3 GLY A 44 40.703 56.560 -52.162 1.00 0.00 H new ATOM 740 N GLN A 45 42.872 58.367 -50.423 1.00 0.00 N ATOM 741 CA GLN A 45 44.177 59.055 -50.555 1.00 0.00 C ATOM 742 C GLN A 45 44.914 58.972 -49.222 1.00 0.00 C ATOM 743 O GLN A 45 44.424 59.419 -48.203 1.00 0.00 O ATOM 744 CB GLN A 45 43.950 60.524 -50.922 1.00 0.00 C ATOM 745 CG GLN A 45 45.255 61.127 -51.443 1.00 0.00 C ATOM 746 CD GLN A 45 45.452 60.732 -52.907 1.00 0.00 C ATOM 747 OE1 GLN A 45 44.591 60.966 -53.733 1.00 0.00 O ATOM 748 NE2 GLN A 45 46.557 60.138 -53.267 1.00 0.00 N ATOM 0 H GLN A 45 42.395 58.507 -49.532 1.00 0.00 H new ATOM 0 HA GLN A 45 44.768 58.578 -51.337 1.00 0.00 H new ATOM 0 HB2 GLN A 45 43.172 60.604 -51.681 1.00 0.00 H new ATOM 0 HB3 GLN A 45 43.603 61.078 -50.050 1.00 0.00 H new ATOM 0 HG2 GLN A 45 45.229 62.213 -51.349 1.00 0.00 H new ATOM 0 HG3 GLN A 45 46.095 60.775 -50.844 1.00 0.00 H new ATOM 0 HE21 GLN A 45 47.279 59.942 -52.574 1.00 0.00 H new ATOM 0 HE22 GLN A 45 46.698 59.870 -54.241 1.00 0.00 H new ATOM 757 N GLU A 46 46.084 58.402 -49.222 1.00 0.00 N ATOM 758 CA GLU A 46 46.854 58.292 -47.956 1.00 0.00 C ATOM 759 C GLU A 46 47.532 59.630 -47.680 1.00 0.00 C ATOM 760 O GLU A 46 48.179 60.197 -48.538 1.00 0.00 O ATOM 761 CB GLU A 46 47.907 57.192 -48.096 1.00 0.00 C ATOM 762 CG GLU A 46 47.310 56.018 -48.875 1.00 0.00 C ATOM 763 CD GLU A 46 48.292 54.846 -48.866 1.00 0.00 C ATOM 764 OE1 GLU A 46 49.486 55.099 -48.833 1.00 0.00 O ATOM 765 OE2 GLU A 46 47.836 53.715 -48.891 1.00 0.00 O ATOM 0 H GLU A 46 46.540 58.007 -50.045 1.00 0.00 H new ATOM 0 HA GLU A 46 46.188 58.041 -47.130 1.00 0.00 H new ATOM 0 HB2 GLU A 46 48.786 57.577 -48.613 1.00 0.00 H new ATOM 0 HB3 GLU A 46 48.236 56.860 -47.111 1.00 0.00 H new ATOM 0 HG2 GLU A 46 46.363 55.716 -48.428 1.00 0.00 H new ATOM 0 HG3 GLU A 46 47.097 56.319 -49.901 1.00 0.00 H new ATOM 772 N GLY A 47 47.382 60.151 -46.496 1.00 0.00 N ATOM 773 CA GLY A 47 48.011 61.459 -46.187 1.00 0.00 C ATOM 774 C GLY A 47 48.172 61.627 -44.679 1.00 0.00 C ATOM 775 O GLY A 47 48.073 60.683 -43.917 1.00 0.00 O ATOM 0 H GLY A 47 46.853 59.728 -45.733 1.00 0.00 H new ATOM 0 HA2 GLY A 47 48.984 61.526 -46.673 1.00 0.00 H new ATOM 0 HA3 GLY A 47 47.399 62.268 -46.586 1.00 0.00 H new ATOM 779 N TYR A 48 48.418 62.831 -44.248 1.00 0.00 N ATOM 780 CA TYR A 48 48.590 63.087 -42.794 1.00 0.00 C ATOM 781 C TYR A 48 47.318 63.729 -42.237 1.00 0.00 C ATOM 782 O TYR A 48 47.011 64.870 -42.513 1.00 0.00 O ATOM 783 CB TYR A 48 49.778 64.027 -42.575 1.00 0.00 C ATOM 784 CG TYR A 48 51.000 63.217 -42.209 1.00 0.00 C ATOM 785 CD1 TYR A 48 51.851 62.740 -43.215 1.00 0.00 C ATOM 786 CD2 TYR A 48 51.283 62.943 -40.866 1.00 0.00 C ATOM 787 CE1 TYR A 48 52.984 61.991 -42.875 1.00 0.00 C ATOM 788 CE2 TYR A 48 52.415 62.194 -40.527 1.00 0.00 C ATOM 789 CZ TYR A 48 53.266 61.718 -41.532 1.00 0.00 C ATOM 790 OH TYR A 48 54.382 60.978 -41.198 1.00 0.00 O ATOM 0 H TYR A 48 48.508 63.653 -44.845 1.00 0.00 H new ATOM 0 HA TYR A 48 48.777 62.145 -42.279 1.00 0.00 H new ATOM 0 HB2 TYR A 48 49.969 64.605 -43.479 1.00 0.00 H new ATOM 0 HB3 TYR A 48 49.550 64.740 -41.783 1.00 0.00 H new ATOM 0 HD1 TYR A 48 51.633 62.950 -44.252 1.00 0.00 H new ATOM 0 HD2 TYR A 48 50.627 63.310 -40.091 1.00 0.00 H new ATOM 0 HE1 TYR A 48 53.641 61.624 -43.650 1.00 0.00 H new ATOM 0 HE2 TYR A 48 52.632 61.983 -39.490 1.00 0.00 H new ATOM 0 HH TYR A 48 54.431 60.881 -40.224 1.00 0.00 H new ATOM 800 N ILE A 49 46.575 63.011 -41.446 1.00 0.00 N ATOM 801 CA ILE A 49 45.329 63.604 -40.881 1.00 0.00 C ATOM 802 C ILE A 49 45.614 64.053 -39.439 1.00 0.00 C ATOM 803 O ILE A 49 46.161 63.298 -38.659 1.00 0.00 O ATOM 804 CB ILE A 49 44.181 62.584 -40.893 1.00 0.00 C ATOM 805 CG1 ILE A 49 44.709 61.170 -41.153 1.00 0.00 C ATOM 806 CG2 ILE A 49 43.168 62.944 -41.981 1.00 0.00 C ATOM 807 CD1 ILE A 49 45.219 61.078 -42.592 1.00 0.00 C ATOM 0 H ILE A 49 46.771 62.050 -41.167 1.00 0.00 H new ATOM 0 HA ILE A 49 45.027 64.455 -41.491 1.00 0.00 H new ATOM 0 HB ILE A 49 43.700 62.611 -39.915 1.00 0.00 H new ATOM 0 HG12 ILE A 49 45.512 60.935 -40.455 1.00 0.00 H new ATOM 0 HG13 ILE A 49 43.918 60.438 -40.988 1.00 0.00 H new ATOM 0 HG21 ILE A 49 42.359 62.214 -41.980 1.00 0.00 H new ATOM 0 HG22 ILE A 49 42.762 63.936 -41.786 1.00 0.00 H new ATOM 0 HG23 ILE A 49 43.661 62.938 -42.953 1.00 0.00 H new ATOM 0 HD11 ILE A 49 45.596 60.073 -42.781 1.00 0.00 H new ATOM 0 HD12 ILE A 49 44.403 61.295 -43.282 1.00 0.00 H new ATOM 0 HD13 ILE A 49 46.022 61.800 -42.740 1.00 0.00 H new ATOM 819 N PRO A 50 45.260 65.279 -39.131 1.00 0.00 N ATOM 820 CA PRO A 50 45.495 65.864 -37.794 1.00 0.00 C ATOM 821 C PRO A 50 44.456 65.388 -36.771 1.00 0.00 C ATOM 822 O PRO A 50 43.273 65.365 -37.037 1.00 0.00 O ATOM 823 CB PRO A 50 45.358 67.369 -38.037 1.00 0.00 C ATOM 824 CG PRO A 50 44.507 67.530 -39.319 1.00 0.00 C ATOM 825 CD PRO A 50 44.598 66.195 -40.081 1.00 0.00 C ATOM 0 HA PRO A 50 46.461 65.575 -37.380 1.00 0.00 H new ATOM 0 HB2 PRO A 50 44.878 67.857 -37.189 1.00 0.00 H new ATOM 0 HB3 PRO A 50 46.337 67.833 -38.160 1.00 0.00 H new ATOM 0 HG2 PRO A 50 43.472 67.763 -39.070 1.00 0.00 H new ATOM 0 HG3 PRO A 50 44.880 68.351 -39.931 1.00 0.00 H new ATOM 0 HD2 PRO A 50 43.611 65.830 -40.364 1.00 0.00 H new ATOM 0 HD3 PRO A 50 45.174 66.300 -41.000 1.00 0.00 H new ATOM 832 N SER A 51 44.896 65.017 -35.595 1.00 0.00 N ATOM 833 CA SER A 51 43.952 64.554 -34.547 1.00 0.00 C ATOM 834 C SER A 51 43.332 65.759 -33.826 1.00 0.00 C ATOM 835 O SER A 51 42.388 65.625 -33.075 1.00 0.00 O ATOM 836 CB SER A 51 44.713 63.709 -33.532 1.00 0.00 C ATOM 837 OG SER A 51 45.090 62.477 -34.131 1.00 0.00 O ATOM 0 H SER A 51 45.878 65.017 -35.319 1.00 0.00 H new ATOM 0 HA SER A 51 43.160 63.967 -35.012 1.00 0.00 H new ATOM 0 HB2 SER A 51 45.598 64.244 -33.187 1.00 0.00 H new ATOM 0 HB3 SER A 51 44.091 63.525 -32.656 1.00 0.00 H new ATOM 0 HG SER A 51 45.983 62.565 -34.526 1.00 0.00 H new ATOM 843 N ASN A 52 43.868 66.935 -34.035 1.00 0.00 N ATOM 844 CA ASN A 52 43.319 68.142 -33.343 1.00 0.00 C ATOM 845 C ASN A 52 42.052 68.635 -34.050 1.00 0.00 C ATOM 846 O ASN A 52 41.425 69.585 -33.625 1.00 0.00 O ATOM 847 CB ASN A 52 44.370 69.254 -33.356 1.00 0.00 C ATOM 848 CG ASN A 52 44.666 69.659 -34.801 1.00 0.00 C ATOM 849 OD1 ASN A 52 44.029 69.185 -35.720 1.00 0.00 O ATOM 850 ND2 ASN A 52 45.614 70.524 -35.042 1.00 0.00 N ATOM 0 H ASN A 52 44.660 67.112 -34.653 1.00 0.00 H new ATOM 0 HA ASN A 52 43.069 67.876 -32.316 1.00 0.00 H new ATOM 0 HB2 ASN A 52 44.011 70.115 -32.792 1.00 0.00 H new ATOM 0 HB3 ASN A 52 45.283 68.912 -32.869 1.00 0.00 H new ATOM 0 HD21 ASN A 52 45.819 70.801 -36.002 1.00 0.00 H new ATOM 0 HD22 ASN A 52 46.149 70.922 -34.270 1.00 0.00 H new ATOM 857 N TYR A 53 41.668 67.999 -35.119 1.00 0.00 N ATOM 858 CA TYR A 53 40.437 68.435 -35.847 1.00 0.00 C ATOM 859 C TYR A 53 39.692 67.193 -36.333 1.00 0.00 C ATOM 860 O TYR A 53 39.138 67.169 -37.413 1.00 0.00 O ATOM 861 CB TYR A 53 40.833 69.297 -37.048 1.00 0.00 C ATOM 862 CG TYR A 53 41.552 70.536 -36.568 1.00 0.00 C ATOM 863 CD1 TYR A 53 41.024 71.290 -35.513 1.00 0.00 C ATOM 864 CD2 TYR A 53 42.747 70.931 -37.181 1.00 0.00 C ATOM 865 CE1 TYR A 53 41.692 72.439 -35.072 1.00 0.00 C ATOM 866 CE2 TYR A 53 43.414 72.080 -36.740 1.00 0.00 C ATOM 867 CZ TYR A 53 42.886 72.834 -35.686 1.00 0.00 C ATOM 868 OH TYR A 53 43.544 73.967 -35.251 1.00 0.00 O ATOM 0 H TYR A 53 42.150 67.196 -35.523 1.00 0.00 H new ATOM 0 HA TYR A 53 39.797 69.018 -35.184 1.00 0.00 H new ATOM 0 HB2 TYR A 53 41.476 68.729 -37.720 1.00 0.00 H new ATOM 0 HB3 TYR A 53 39.946 69.576 -37.616 1.00 0.00 H new ATOM 0 HD1 TYR A 53 40.102 70.986 -35.040 1.00 0.00 H new ATOM 0 HD2 TYR A 53 43.154 70.349 -37.994 1.00 0.00 H new ATOM 0 HE1 TYR A 53 41.286 73.021 -34.258 1.00 0.00 H new ATOM 0 HE2 TYR A 53 44.336 72.384 -37.213 1.00 0.00 H new ATOM 0 HH TYR A 53 44.356 74.098 -35.783 1.00 0.00 H new ATOM 878 N VAL A 54 39.701 66.160 -35.538 1.00 0.00 N ATOM 879 CA VAL A 54 39.038 64.876 -35.917 1.00 0.00 C ATOM 880 C VAL A 54 38.746 64.097 -34.641 1.00 0.00 C ATOM 881 O VAL A 54 38.507 64.661 -33.593 1.00 0.00 O ATOM 882 CB VAL A 54 40.022 64.087 -36.783 1.00 0.00 C ATOM 883 CG1 VAL A 54 40.633 65.018 -37.829 1.00 0.00 C ATOM 884 CG2 VAL A 54 41.132 63.546 -35.890 1.00 0.00 C ATOM 0 H VAL A 54 40.149 66.149 -34.622 1.00 0.00 H new ATOM 0 HA VAL A 54 38.110 65.050 -36.462 1.00 0.00 H new ATOM 0 HB VAL A 54 39.505 63.267 -37.281 1.00 0.00 H new ATOM 0 HG11 VAL A 54 41.335 64.459 -38.448 1.00 0.00 H new ATOM 0 HG12 VAL A 54 39.842 65.428 -38.457 1.00 0.00 H new ATOM 0 HG13 VAL A 54 41.158 65.832 -37.329 1.00 0.00 H new ATOM 0 HG21 VAL A 54 41.842 62.981 -36.494 1.00 0.00 H new ATOM 0 HG22 VAL A 54 41.647 64.376 -35.407 1.00 0.00 H new ATOM 0 HG23 VAL A 54 40.702 62.894 -35.130 1.00 0.00 H new ATOM 894 N THR A 55 38.778 62.805 -34.722 1.00 0.00 N ATOM 895 CA THR A 55 38.519 61.992 -33.515 1.00 0.00 C ATOM 896 C THR A 55 38.845 60.524 -33.806 1.00 0.00 C ATOM 897 O THR A 55 39.866 60.232 -34.392 1.00 0.00 O ATOM 898 CB THR A 55 37.065 62.187 -33.109 1.00 0.00 C ATOM 899 OG1 THR A 55 36.848 61.642 -31.816 1.00 0.00 O ATOM 900 CG2 THR A 55 36.142 61.512 -34.117 1.00 0.00 C ATOM 0 H THR A 55 38.972 62.276 -35.572 1.00 0.00 H new ATOM 0 HA THR A 55 39.154 62.306 -32.687 1.00 0.00 H new ATOM 0 HB THR A 55 36.845 63.254 -33.090 1.00 0.00 H new ATOM 0 HG1 THR A 55 35.911 61.772 -31.559 1.00 0.00 H new ATOM 0 HG21 THR A 55 35.105 61.659 -33.816 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.299 61.949 -35.103 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.362 60.445 -34.154 1.00 0.00 H new ATOM 908 N GLU A 56 38.011 59.602 -33.395 1.00 0.00 N ATOM 909 CA GLU A 56 38.308 58.156 -33.635 1.00 0.00 C ATOM 910 C GLU A 56 39.816 57.909 -33.459 1.00 0.00 C ATOM 911 O GLU A 56 40.371 58.191 -32.417 1.00 0.00 O ATOM 912 CB GLU A 56 37.846 57.746 -35.035 1.00 0.00 C ATOM 913 CG GLU A 56 36.336 57.955 -35.158 1.00 0.00 C ATOM 914 CD GLU A 56 35.610 56.656 -34.802 1.00 0.00 C ATOM 915 OE1 GLU A 56 36.237 55.612 -34.874 1.00 0.00 O ATOM 916 OE2 GLU A 56 34.439 56.727 -34.465 1.00 0.00 O ATOM 0 H GLU A 56 37.137 59.788 -32.903 1.00 0.00 H new ATOM 0 HA GLU A 56 37.766 57.547 -32.911 1.00 0.00 H new ATOM 0 HB2 GLU A 56 38.368 58.336 -35.789 1.00 0.00 H new ATOM 0 HB3 GLU A 56 38.095 56.701 -35.220 1.00 0.00 H new ATOM 0 HG2 GLU A 56 36.014 58.758 -34.494 1.00 0.00 H new ATOM 0 HG3 GLU A 56 36.082 58.260 -36.173 1.00 0.00 H new ATOM 923 N ALA A 57 40.488 57.394 -34.454 1.00 0.00 N ATOM 924 CA ALA A 57 41.950 57.150 -34.311 1.00 0.00 C ATOM 925 C ALA A 57 42.687 58.477 -34.079 1.00 0.00 C ATOM 926 O ALA A 57 43.331 59.004 -34.965 1.00 0.00 O ATOM 927 CB ALA A 57 42.476 56.491 -35.585 1.00 0.00 C ATOM 0 H ALA A 57 40.088 57.133 -35.356 1.00 0.00 H new ATOM 0 HA ALA A 57 42.123 56.495 -33.457 1.00 0.00 H new ATOM 0 HB1 ALA A 57 43.546 56.310 -35.486 1.00 0.00 H new ATOM 0 HB2 ALA A 57 41.961 55.544 -35.744 1.00 0.00 H new ATOM 0 HB3 ALA A 57 42.297 57.149 -36.436 1.00 0.00 H new ATOM 933 N GLU A 58 42.605 59.014 -32.891 1.00 0.00 N ATOM 934 CA GLU A 58 43.305 60.300 -32.589 1.00 0.00 C ATOM 935 C GLU A 58 44.651 59.991 -31.923 1.00 0.00 C ATOM 936 O GLU A 58 44.696 59.069 -31.126 1.00 0.00 O ATOM 937 CB GLU A 58 42.431 61.129 -31.636 1.00 0.00 C ATOM 938 CG GLU A 58 43.272 62.206 -30.946 1.00 0.00 C ATOM 939 CD GLU A 58 43.354 61.910 -29.447 1.00 0.00 C ATOM 940 OE1 GLU A 58 43.124 60.771 -29.076 1.00 0.00 O ATOM 941 OE2 GLU A 58 43.644 62.827 -28.697 1.00 0.00 O ATOM 942 OXT GLU A 58 45.610 60.682 -32.224 1.00 0.00 O ATOM 0 H GLU A 58 42.081 58.616 -32.112 1.00 0.00 H new ATOM 0 HA GLU A 58 43.477 60.862 -33.507 1.00 0.00 H new ATOM 0 HB2 GLU A 58 41.616 61.594 -32.191 1.00 0.00 H new ATOM 0 HB3 GLU A 58 41.977 60.478 -30.889 1.00 0.00 H new ATOM 0 HG2 GLU A 58 44.273 62.232 -31.377 1.00 0.00 H new ATOM 0 HG3 GLU A 58 42.829 63.188 -31.109 1.00 0.00 H new TER 949 GLU A 58