USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=9 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+ -161:sc= -0.815 (180deg=-1.63) 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 X(o=0,f=0) USER MOD Single : A 16 ASN : amide:sc= -0.422 K(o=-0.42,f=-1.8!) USER MOD Single : A 19 GLN : amide:sc= -1.13 K(o=-1.1,f=-2.6!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot -19:sc= -6.67! USER MOD Single : A 32 SER OG : rot 180:sc= -0.0492 USER MOD Single : A 33 ASN : amide:sc= -0.552 K(o=-0.55,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 90:sc= -4.08! USER MOD Single : A 52 ASN : amide:sc= -10.8! C(o=-11!,f=-23!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0503 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 40.794 48.934 -37.479 1.00 0.00 N ATOM 2 CA LEU A 1 41.443 49.019 -36.140 1.00 0.00 C ATOM 3 C LEU A 1 41.469 50.477 -35.676 1.00 0.00 C ATOM 4 O LEU A 1 40.766 50.861 -34.763 1.00 0.00 O ATOM 5 CB LEU A 1 42.875 48.486 -36.233 1.00 0.00 C ATOM 6 CG LEU A 1 42.915 47.291 -37.187 1.00 0.00 C ATOM 7 CD1 LEU A 1 44.359 46.808 -37.340 1.00 0.00 C ATOM 8 CD2 LEU A 1 42.057 46.158 -36.619 1.00 0.00 C ATOM 0 H1 LEU A 1 40.485 47.956 -37.654 1.00 0.00 H new ATOM 0 H2 LEU A 1 39.970 49.568 -37.506 1.00 0.00 H new ATOM 0 H3 LEU A 1 41.474 49.219 -38.213 1.00 0.00 H new ATOM 0 HA LEU A 1 40.879 48.421 -35.424 1.00 0.00 H new ATOM 0 HB2 LEU A 1 43.544 49.270 -36.588 1.00 0.00 H new ATOM 0 HB3 LEU A 1 43.228 48.188 -35.246 1.00 0.00 H new ATOM 0 HG LEU A 1 42.527 47.590 -38.161 1.00 0.00 H new ATOM 0 HD11 LEU A 1 44.388 45.956 -38.020 1.00 0.00 H new ATOM 0 HD12 LEU A 1 44.972 47.615 -37.743 1.00 0.00 H new ATOM 0 HD13 LEU A 1 44.748 46.508 -36.367 1.00 0.00 H new ATOM 0 HD21 LEU A 1 42.084 45.306 -37.298 1.00 0.00 H new ATOM 0 HD22 LEU A 1 42.446 45.860 -35.646 1.00 0.00 H new ATOM 0 HD23 LEU A 1 41.028 46.501 -36.509 1.00 0.00 H new ATOM 22 N LYS A 2 42.276 51.293 -36.299 1.00 0.00 N ATOM 23 CA LYS A 2 42.346 52.726 -35.895 1.00 0.00 C ATOM 24 C LYS A 2 41.740 53.594 -36.999 1.00 0.00 C ATOM 25 O LYS A 2 41.918 53.333 -38.172 1.00 0.00 O ATOM 26 CB LYS A 2 43.809 53.124 -35.680 1.00 0.00 C ATOM 27 CG LYS A 2 44.417 52.257 -34.576 1.00 0.00 C ATOM 28 CD LYS A 2 45.352 51.219 -35.199 1.00 0.00 C ATOM 29 CE LYS A 2 45.831 50.250 -34.116 1.00 0.00 C ATOM 30 NZ LYS A 2 46.445 49.052 -34.757 1.00 0.00 N ATOM 0 H LYS A 2 42.889 51.029 -37.070 1.00 0.00 H new ATOM 0 HA LYS A 2 41.790 52.872 -34.969 1.00 0.00 H new ATOM 0 HB2 LYS A 2 44.371 52.999 -36.606 1.00 0.00 H new ATOM 0 HB3 LYS A 2 43.874 54.177 -35.407 1.00 0.00 H new ATOM 0 HG2 LYS A 2 44.967 52.880 -33.871 1.00 0.00 H new ATOM 0 HG3 LYS A 2 43.627 51.759 -34.013 1.00 0.00 H new ATOM 0 HD2 LYS A 2 44.833 50.673 -35.987 1.00 0.00 H new ATOM 0 HD3 LYS A 2 46.205 51.714 -35.663 1.00 0.00 H new ATOM 0 HE2 LYS A 2 46.557 50.742 -33.469 1.00 0.00 H new ATOM 0 HE3 LYS A 2 44.994 49.950 -33.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 46.771 48.393 -34.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 45.739 48.579 -35.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 47.254 49.347 -35.340 1.00 0.00 H new ATOM 44 N LYS A 3 41.024 54.624 -36.638 1.00 0.00 N ATOM 45 CA LYS A 3 40.411 55.499 -37.677 1.00 0.00 C ATOM 46 C LYS A 3 40.028 56.843 -37.062 1.00 0.00 C ATOM 47 O LYS A 3 39.068 56.950 -36.346 1.00 0.00 O ATOM 48 CB LYS A 3 39.168 54.811 -38.243 1.00 0.00 C ATOM 49 CG LYS A 3 38.029 54.846 -37.221 1.00 0.00 C ATOM 50 CD LYS A 3 36.996 53.772 -37.568 1.00 0.00 C ATOM 51 CE LYS A 3 35.613 54.415 -37.680 1.00 0.00 C ATOM 52 NZ LYS A 3 35.104 54.740 -36.319 1.00 0.00 N ATOM 0 H LYS A 3 40.838 54.896 -35.673 1.00 0.00 H new ATOM 0 HA LYS A 3 41.128 55.671 -38.479 1.00 0.00 H new ATOM 0 HB2 LYS A 3 38.856 55.307 -39.162 1.00 0.00 H new ATOM 0 HB3 LYS A 3 39.402 53.778 -38.502 1.00 0.00 H new ATOM 0 HG2 LYS A 3 38.421 54.677 -36.218 1.00 0.00 H new ATOM 0 HG3 LYS A 3 37.559 55.830 -37.218 1.00 0.00 H new ATOM 0 HD2 LYS A 3 37.261 53.287 -38.508 1.00 0.00 H new ATOM 0 HD3 LYS A 3 36.988 52.998 -36.801 1.00 0.00 H new ATOM 0 HE2 LYS A 3 35.669 55.320 -38.284 1.00 0.00 H new ATOM 0 HE3 LYS A 3 34.925 53.737 -38.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 34.163 55.177 -36.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 35.036 53.868 -35.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 35.757 55.402 -35.853 1.00 0.00 H new ATOM 66 N VAL A 4 40.783 57.872 -37.328 1.00 0.00 N ATOM 67 CA VAL A 4 40.458 59.205 -36.736 1.00 0.00 C ATOM 68 C VAL A 4 39.292 59.830 -37.518 1.00 0.00 C ATOM 69 O VAL A 4 39.275 59.812 -38.733 1.00 0.00 O ATOM 70 CB VAL A 4 41.698 60.124 -36.813 1.00 0.00 C ATOM 71 CG1 VAL A 4 42.983 59.296 -36.703 1.00 0.00 C ATOM 72 CG2 VAL A 4 41.720 60.884 -38.147 1.00 0.00 C ATOM 0 H VAL A 4 41.608 57.851 -37.927 1.00 0.00 H new ATOM 0 HA VAL A 4 40.172 59.085 -35.691 1.00 0.00 H new ATOM 0 HB VAL A 4 41.642 60.832 -35.986 1.00 0.00 H new ATOM 0 HG11 VAL A 4 43.848 59.957 -36.759 1.00 0.00 H new ATOM 0 HG12 VAL A 4 42.993 58.765 -35.751 1.00 0.00 H new ATOM 0 HG13 VAL A 4 43.023 58.576 -37.521 1.00 0.00 H new ATOM 0 HG21 VAL A 4 42.600 61.527 -38.185 1.00 0.00 H new ATOM 0 HG22 VAL A 4 41.755 60.171 -38.971 1.00 0.00 H new ATOM 0 HG23 VAL A 4 40.821 61.494 -38.233 1.00 0.00 H new ATOM 82 N VAL A 5 38.319 60.376 -36.841 1.00 0.00 N ATOM 83 CA VAL A 5 37.169 60.985 -37.560 1.00 0.00 C ATOM 84 C VAL A 5 37.433 62.463 -37.848 1.00 0.00 C ATOM 85 O VAL A 5 37.654 63.234 -36.949 1.00 0.00 O ATOM 86 CB VAL A 5 35.910 60.818 -36.707 1.00 0.00 C ATOM 87 CG1 VAL A 5 35.208 62.164 -36.473 1.00 0.00 C ATOM 88 CG2 VAL A 5 34.976 59.869 -37.440 1.00 0.00 C ATOM 0 H VAL A 5 38.272 60.426 -35.823 1.00 0.00 H new ATOM 0 HA VAL A 5 37.031 60.482 -38.517 1.00 0.00 H new ATOM 0 HB VAL A 5 36.184 60.420 -35.730 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.318 62.009 -35.864 1.00 0.00 H new ATOM 0 HG12 VAL A 5 35.887 62.844 -35.958 1.00 0.00 H new ATOM 0 HG13 VAL A 5 34.921 62.596 -37.432 1.00 0.00 H new ATOM 0 HG21 VAL A 5 34.067 59.729 -36.855 1.00 0.00 H new ATOM 0 HG22 VAL A 5 34.721 60.289 -38.413 1.00 0.00 H new ATOM 0 HG23 VAL A 5 35.470 58.907 -37.578 1.00 0.00 H new ATOM 98 N ALA A 6 37.378 62.869 -39.086 1.00 0.00 N ATOM 99 CA ALA A 6 37.603 64.310 -39.398 1.00 0.00 C ATOM 100 C ALA A 6 36.740 65.169 -38.466 1.00 0.00 C ATOM 101 O ALA A 6 35.972 64.655 -37.676 1.00 0.00 O ATOM 102 CB ALA A 6 37.211 64.584 -40.850 1.00 0.00 C ATOM 0 H ALA A 6 37.189 62.271 -39.890 1.00 0.00 H new ATOM 0 HA ALA A 6 38.655 64.556 -39.254 1.00 0.00 H new ATOM 0 HB1 ALA A 6 37.375 65.637 -41.079 1.00 0.00 H new ATOM 0 HB2 ALA A 6 37.820 63.969 -41.513 1.00 0.00 H new ATOM 0 HB3 ALA A 6 36.158 64.341 -40.995 1.00 0.00 H new ATOM 108 N LEU A 7 36.863 66.470 -38.535 1.00 0.00 N ATOM 109 CA LEU A 7 36.055 67.337 -37.632 1.00 0.00 C ATOM 110 C LEU A 7 35.801 68.706 -38.274 1.00 0.00 C ATOM 111 O LEU A 7 34.698 69.016 -38.678 1.00 0.00 O ATOM 112 CB LEU A 7 36.829 67.543 -36.326 1.00 0.00 C ATOM 113 CG LEU A 7 35.912 67.357 -35.118 1.00 0.00 C ATOM 114 CD1 LEU A 7 34.960 68.549 -35.007 1.00 0.00 C ATOM 115 CD2 LEU A 7 35.103 66.066 -35.263 1.00 0.00 C ATOM 0 H LEU A 7 37.485 66.965 -39.174 1.00 0.00 H new ATOM 0 HA LEU A 7 35.097 66.853 -37.445 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.656 66.836 -36.273 1.00 0.00 H new ATOM 0 HB3 LEU A 7 37.263 68.543 -36.309 1.00 0.00 H new ATOM 0 HG LEU A 7 36.523 67.293 -34.217 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.307 68.414 -34.145 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.537 69.466 -34.885 1.00 0.00 H new ATOM 0 HD13 LEU A 7 34.356 68.618 -35.912 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.453 65.944 -34.396 1.00 0.00 H new ATOM 0 HD22 LEU A 7 34.496 66.116 -36.167 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.783 65.216 -35.329 1.00 0.00 H new ATOM 127 N TYR A 8 36.805 69.540 -38.340 1.00 0.00 N ATOM 128 CA TYR A 8 36.609 70.901 -38.919 1.00 0.00 C ATOM 129 C TYR A 8 37.139 70.967 -40.356 1.00 0.00 C ATOM 130 O TYR A 8 37.353 72.036 -40.894 1.00 0.00 O ATOM 131 CB TYR A 8 37.347 71.919 -38.051 1.00 0.00 C ATOM 132 CG TYR A 8 36.955 71.717 -36.606 1.00 0.00 C ATOM 133 CD1 TYR A 8 35.640 71.974 -36.196 1.00 0.00 C ATOM 134 CD2 TYR A 8 37.902 71.271 -35.676 1.00 0.00 C ATOM 135 CE1 TYR A 8 35.274 71.785 -34.858 1.00 0.00 C ATOM 136 CE2 TYR A 8 37.536 71.082 -34.338 1.00 0.00 C ATOM 137 CZ TYR A 8 36.223 71.340 -33.929 1.00 0.00 C ATOM 138 OH TYR A 8 35.862 71.154 -32.610 1.00 0.00 O ATOM 0 H TYR A 8 37.752 69.338 -38.018 1.00 0.00 H new ATOM 0 HA TYR A 8 35.543 71.126 -38.940 1.00 0.00 H new ATOM 0 HB2 TYR A 8 38.424 71.801 -38.168 1.00 0.00 H new ATOM 0 HB3 TYR A 8 37.101 72.932 -38.369 1.00 0.00 H new ATOM 0 HD1 TYR A 8 34.909 72.318 -36.912 1.00 0.00 H new ATOM 0 HD2 TYR A 8 38.916 71.073 -35.991 1.00 0.00 H new ATOM 0 HE1 TYR A 8 34.260 71.982 -34.542 1.00 0.00 H new ATOM 0 HE2 TYR A 8 38.267 70.737 -33.622 1.00 0.00 H new ATOM 0 HH TYR A 8 36.638 70.842 -32.099 1.00 0.00 H new ATOM 148 N ASP A 9 37.338 69.845 -40.989 1.00 0.00 N ATOM 149 CA ASP A 9 37.835 69.864 -42.397 1.00 0.00 C ATOM 150 C ASP A 9 39.291 70.338 -42.442 1.00 0.00 C ATOM 151 O ASP A 9 39.768 71.009 -41.549 1.00 0.00 O ATOM 152 CB ASP A 9 36.972 70.816 -43.226 1.00 0.00 C ATOM 153 CG ASP A 9 36.729 70.212 -44.610 1.00 0.00 C ATOM 154 OD1 ASP A 9 35.770 69.470 -44.751 1.00 0.00 O ATOM 155 OD2 ASP A 9 37.505 70.501 -45.506 1.00 0.00 O ATOM 0 H ASP A 9 37.179 68.917 -40.596 1.00 0.00 H new ATOM 0 HA ASP A 9 37.777 68.855 -42.805 1.00 0.00 H new ATOM 0 HB2 ASP A 9 36.021 70.993 -42.723 1.00 0.00 H new ATOM 0 HB3 ASP A 9 37.467 71.782 -43.321 1.00 0.00 H new ATOM 160 N TYR A 10 39.995 69.990 -43.486 1.00 0.00 N ATOM 161 CA TYR A 10 41.419 70.410 -43.615 1.00 0.00 C ATOM 162 C TYR A 10 41.832 70.313 -45.086 1.00 0.00 C ATOM 163 O TYR A 10 41.027 70.012 -45.945 1.00 0.00 O ATOM 164 CB TYR A 10 42.303 69.490 -42.772 1.00 0.00 C ATOM 165 CG TYR A 10 43.429 70.288 -42.162 1.00 0.00 C ATOM 166 CD1 TYR A 10 43.145 71.351 -41.296 1.00 0.00 C ATOM 167 CD2 TYR A 10 44.758 69.965 -42.460 1.00 0.00 C ATOM 168 CE1 TYR A 10 44.190 72.090 -40.729 1.00 0.00 C ATOM 169 CE2 TYR A 10 45.802 70.703 -41.893 1.00 0.00 C ATOM 170 CZ TYR A 10 45.519 71.766 -41.028 1.00 0.00 C ATOM 171 OH TYR A 10 46.549 72.495 -40.469 1.00 0.00 O ATOM 0 H TYR A 10 39.641 69.428 -44.260 1.00 0.00 H new ATOM 0 HA TYR A 10 41.536 71.436 -43.265 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.711 69.019 -41.987 1.00 0.00 H new ATOM 0 HB3 TYR A 10 42.706 68.689 -43.391 1.00 0.00 H new ATOM 0 HD1 TYR A 10 42.120 71.601 -41.066 1.00 0.00 H new ATOM 0 HD2 TYR A 10 44.977 69.145 -43.128 1.00 0.00 H new ATOM 0 HE1 TYR A 10 43.971 72.910 -40.061 1.00 0.00 H new ATOM 0 HE2 TYR A 10 46.827 70.452 -42.123 1.00 0.00 H new ATOM 0 HH TYR A 10 47.408 72.139 -40.779 1.00 0.00 H new ATOM 181 N MET A 11 43.079 70.556 -45.387 1.00 0.00 N ATOM 182 CA MET A 11 43.532 70.468 -46.801 1.00 0.00 C ATOM 183 C MET A 11 45.051 70.271 -46.845 1.00 0.00 C ATOM 184 O MET A 11 45.739 70.560 -45.887 1.00 0.00 O ATOM 185 CB MET A 11 43.163 71.756 -47.541 1.00 0.00 C ATOM 186 CG MET A 11 41.674 71.740 -47.889 1.00 0.00 C ATOM 187 SD MET A 11 41.298 73.124 -48.993 1.00 0.00 S ATOM 188 CE MET A 11 41.561 72.248 -50.553 1.00 0.00 C ATOM 0 H MET A 11 43.802 70.811 -44.714 1.00 0.00 H new ATOM 0 HA MET A 11 43.043 69.621 -47.282 1.00 0.00 H new ATOM 0 HB2 MET A 11 43.392 72.622 -46.920 1.00 0.00 H new ATOM 0 HB3 MET A 11 43.758 71.848 -48.450 1.00 0.00 H new ATOM 0 HG2 MET A 11 41.412 70.797 -48.368 1.00 0.00 H new ATOM 0 HG3 MET A 11 41.076 71.813 -46.980 1.00 0.00 H new ATOM 0 HE1 MET A 11 41.380 72.927 -51.386 1.00 0.00 H new ATOM 0 HE2 MET A 11 42.588 71.885 -50.598 1.00 0.00 H new ATOM 0 HE3 MET A 11 40.874 71.404 -50.617 1.00 0.00 H new ATOM 198 N PRO A 12 45.525 69.785 -47.965 1.00 0.00 N ATOM 199 CA PRO A 12 46.961 69.537 -48.178 1.00 0.00 C ATOM 200 C PRO A 12 47.686 70.849 -48.486 1.00 0.00 C ATOM 201 O PRO A 12 48.258 71.020 -49.545 1.00 0.00 O ATOM 202 CB PRO A 12 46.987 68.600 -49.388 1.00 0.00 C ATOM 203 CG PRO A 12 45.650 68.817 -50.137 1.00 0.00 C ATOM 204 CD PRO A 12 44.673 69.439 -49.121 1.00 0.00 C ATOM 0 HA PRO A 12 47.459 69.112 -47.307 1.00 0.00 H new ATOM 0 HB2 PRO A 12 47.835 68.824 -50.035 1.00 0.00 H new ATOM 0 HB3 PRO A 12 47.092 67.562 -49.073 1.00 0.00 H new ATOM 0 HG2 PRO A 12 45.789 69.475 -50.995 1.00 0.00 H new ATOM 0 HG3 PRO A 12 45.262 67.873 -50.519 1.00 0.00 H new ATOM 0 HD2 PRO A 12 44.180 70.321 -49.531 1.00 0.00 H new ATOM 0 HD3 PRO A 12 43.888 68.736 -48.841 1.00 0.00 H new ATOM 211 N MET A 13 47.664 71.777 -47.570 1.00 0.00 N ATOM 212 CA MET A 13 48.349 73.077 -47.809 1.00 0.00 C ATOM 213 C MET A 13 49.587 73.175 -46.914 1.00 0.00 C ATOM 214 O MET A 13 50.230 74.204 -46.839 1.00 0.00 O ATOM 215 CB MET A 13 47.392 74.225 -47.482 1.00 0.00 C ATOM 216 CG MET A 13 46.941 74.111 -46.024 1.00 0.00 C ATOM 217 SD MET A 13 46.288 75.705 -45.469 1.00 0.00 S ATOM 218 CE MET A 13 44.541 75.234 -45.436 1.00 0.00 C ATOM 0 H MET A 13 47.201 71.691 -46.665 1.00 0.00 H new ATOM 0 HA MET A 13 48.651 73.141 -48.854 1.00 0.00 H new ATOM 0 HB2 MET A 13 47.885 75.183 -47.648 1.00 0.00 H new ATOM 0 HB3 MET A 13 46.528 74.193 -48.145 1.00 0.00 H new ATOM 0 HG2 MET A 13 46.177 73.339 -45.928 1.00 0.00 H new ATOM 0 HG3 MET A 13 47.779 73.810 -45.395 1.00 0.00 H new ATOM 0 HE1 MET A 13 43.941 76.085 -45.114 1.00 0.00 H new ATOM 0 HE2 MET A 13 44.228 74.926 -46.434 1.00 0.00 H new ATOM 0 HE3 MET A 13 44.400 74.407 -44.740 1.00 0.00 H new ATOM 228 N ASN A 14 49.926 72.113 -46.237 1.00 0.00 N ATOM 229 CA ASN A 14 51.121 72.145 -45.348 1.00 0.00 C ATOM 230 C ASN A 14 52.201 71.223 -45.917 1.00 0.00 C ATOM 231 O ASN A 14 53.318 71.635 -46.162 1.00 0.00 O ATOM 232 CB ASN A 14 50.728 71.667 -43.949 1.00 0.00 C ATOM 233 CG ASN A 14 51.073 72.748 -42.923 1.00 0.00 C ATOM 234 OD1 ASN A 14 52.221 72.915 -42.563 1.00 0.00 O ATOM 235 ND2 ASN A 14 50.121 73.494 -42.434 1.00 0.00 N ATOM 0 H ASN A 14 49.427 71.224 -46.261 1.00 0.00 H new ATOM 0 HA ASN A 14 51.505 73.163 -45.289 1.00 0.00 H new ATOM 0 HB2 ASN A 14 49.661 71.446 -43.915 1.00 0.00 H new ATOM 0 HB3 ASN A 14 51.253 70.742 -43.709 1.00 0.00 H new ATOM 0 HD21 ASN A 14 50.341 74.217 -41.749 1.00 0.00 H new ATOM 0 HD22 ASN A 14 49.157 73.354 -42.736 1.00 0.00 H new ATOM 242 N ALA A 15 51.877 69.977 -46.131 1.00 0.00 N ATOM 243 CA ALA A 15 52.882 69.028 -46.687 1.00 0.00 C ATOM 244 C ALA A 15 52.178 68.009 -47.583 1.00 0.00 C ATOM 245 O ALA A 15 52.195 68.114 -48.793 1.00 0.00 O ATOM 246 CB ALA A 15 53.586 68.302 -45.539 1.00 0.00 C ATOM 0 H ALA A 15 50.958 69.575 -45.944 1.00 0.00 H new ATOM 0 HA ALA A 15 53.618 69.578 -47.273 1.00 0.00 H new ATOM 0 HB1 ALA A 15 54.322 67.607 -45.945 1.00 0.00 H new ATOM 0 HB2 ALA A 15 54.087 69.030 -44.901 1.00 0.00 H new ATOM 0 HB3 ALA A 15 52.851 67.751 -44.952 1.00 0.00 H new ATOM 252 N ASN A 16 51.553 67.025 -46.999 1.00 0.00 N ATOM 253 CA ASN A 16 50.843 66.002 -47.815 1.00 0.00 C ATOM 254 C ASN A 16 49.694 65.418 -46.991 1.00 0.00 C ATOM 255 O ASN A 16 49.389 64.245 -47.075 1.00 0.00 O ATOM 256 CB ASN A 16 51.816 64.885 -48.199 1.00 0.00 C ATOM 257 CG ASN A 16 51.159 63.965 -49.228 1.00 0.00 C ATOM 258 OD1 ASN A 16 50.338 64.400 -50.012 1.00 0.00 O ATOM 259 ND2 ASN A 16 51.484 62.701 -49.260 1.00 0.00 N ATOM 0 H ASN A 16 51.503 66.885 -45.990 1.00 0.00 H new ATOM 0 HA ASN A 16 50.451 66.463 -48.722 1.00 0.00 H new ATOM 0 HB2 ASN A 16 52.731 65.311 -48.609 1.00 0.00 H new ATOM 0 HB3 ASN A 16 52.099 64.315 -47.314 1.00 0.00 H new ATOM 0 HD21 ASN A 16 51.049 62.080 -49.942 1.00 0.00 H new ATOM 0 HD22 ASN A 16 52.173 62.335 -48.603 1.00 0.00 H new ATOM 266 N ASP A 17 49.061 66.231 -46.191 1.00 0.00 N ATOM 267 CA ASP A 17 47.936 65.727 -45.353 1.00 0.00 C ATOM 268 C ASP A 17 46.721 65.438 -46.237 1.00 0.00 C ATOM 269 O ASP A 17 46.602 65.954 -47.330 1.00 0.00 O ATOM 270 CB ASP A 17 47.565 66.785 -44.310 1.00 0.00 C ATOM 271 CG ASP A 17 48.508 66.675 -43.112 1.00 0.00 C ATOM 272 OD1 ASP A 17 49.706 66.611 -43.329 1.00 0.00 O ATOM 273 OD2 ASP A 17 48.016 66.660 -41.996 1.00 0.00 O ATOM 0 H ASP A 17 49.274 67.222 -46.081 1.00 0.00 H new ATOM 0 HA ASP A 17 48.244 64.809 -44.852 1.00 0.00 H new ATOM 0 HB2 ASP A 17 47.631 67.781 -44.748 1.00 0.00 H new ATOM 0 HB3 ASP A 17 46.533 66.647 -43.988 1.00 0.00 H new ATOM 278 N LEU A 18 45.811 64.620 -45.772 1.00 0.00 N ATOM 279 CA LEU A 18 44.606 64.309 -46.589 1.00 0.00 C ATOM 280 C LEU A 18 43.571 65.419 -46.404 1.00 0.00 C ATOM 281 O LEU A 18 43.404 65.947 -45.323 1.00 0.00 O ATOM 282 CB LEU A 18 44.005 62.982 -46.097 1.00 0.00 C ATOM 283 CG LEU A 18 44.376 61.776 -46.990 1.00 0.00 C ATOM 284 CD1 LEU A 18 45.403 62.140 -48.067 1.00 0.00 C ATOM 285 CD2 LEU A 18 44.953 60.678 -46.096 1.00 0.00 C ATOM 0 H LEU A 18 45.853 64.157 -44.864 1.00 0.00 H new ATOM 0 HA LEU A 18 44.881 64.233 -47.641 1.00 0.00 H new ATOM 0 HB2 LEU A 18 44.347 62.791 -45.080 1.00 0.00 H new ATOM 0 HB3 LEU A 18 42.920 63.075 -46.056 1.00 0.00 H new ATOM 0 HG LEU A 18 43.474 61.441 -47.503 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.629 61.258 -48.667 1.00 0.00 H new ATOM 0 HD12 LEU A 18 44.996 62.921 -48.709 1.00 0.00 H new ATOM 0 HD13 LEU A 18 46.316 62.500 -47.592 1.00 0.00 H new ATOM 0 HD21 LEU A 18 45.222 59.816 -46.706 1.00 0.00 H new ATOM 0 HD22 LEU A 18 45.840 61.053 -45.586 1.00 0.00 H new ATOM 0 HD23 LEU A 18 44.208 60.381 -45.357 1.00 0.00 H new ATOM 297 N GLN A 19 42.862 65.769 -47.444 1.00 0.00 N ATOM 298 CA GLN A 19 41.823 66.828 -47.308 1.00 0.00 C ATOM 299 C GLN A 19 40.687 66.263 -46.455 1.00 0.00 C ATOM 300 O GLN A 19 40.143 65.219 -46.751 1.00 0.00 O ATOM 301 CB GLN A 19 41.294 67.209 -48.693 1.00 0.00 C ATOM 302 CG GLN A 19 40.085 68.135 -48.543 1.00 0.00 C ATOM 303 CD GLN A 19 38.890 67.536 -49.284 1.00 0.00 C ATOM 304 OE1 GLN A 19 37.929 67.113 -48.672 1.00 0.00 O ATOM 305 NE2 GLN A 19 38.908 67.480 -50.588 1.00 0.00 N ATOM 0 H GLN A 19 42.957 65.369 -48.377 1.00 0.00 H new ATOM 0 HA GLN A 19 42.242 67.718 -46.839 1.00 0.00 H new ATOM 0 HB2 GLN A 19 42.076 67.705 -49.268 1.00 0.00 H new ATOM 0 HB3 GLN A 19 41.012 66.312 -49.245 1.00 0.00 H new ATOM 0 HG2 GLN A 19 39.843 68.267 -47.488 1.00 0.00 H new ATOM 0 HG3 GLN A 19 40.317 69.122 -48.943 1.00 0.00 H new ATOM 0 HE21 GLN A 19 39.714 67.835 -51.103 1.00 0.00 H new ATOM 0 HE22 GLN A 19 38.116 67.082 -51.092 1.00 0.00 H new ATOM 314 N LEU A 20 40.340 66.918 -45.382 1.00 0.00 N ATOM 315 CA LEU A 20 39.259 66.377 -44.509 1.00 0.00 C ATOM 316 C LEU A 20 37.884 66.798 -45.024 1.00 0.00 C ATOM 317 O LEU A 20 37.756 67.706 -45.822 1.00 0.00 O ATOM 318 CB LEU A 20 39.444 66.892 -43.083 1.00 0.00 C ATOM 319 CG LEU A 20 40.816 66.477 -42.533 1.00 0.00 C ATOM 320 CD1 LEU A 20 40.669 66.124 -41.057 1.00 0.00 C ATOM 321 CD2 LEU A 20 41.363 65.257 -43.288 1.00 0.00 C ATOM 0 H LEU A 20 40.754 67.798 -45.073 1.00 0.00 H new ATOM 0 HA LEU A 20 39.319 65.289 -44.521 1.00 0.00 H new ATOM 0 HB2 LEU A 20 39.353 67.978 -43.068 1.00 0.00 H new ATOM 0 HB3 LEU A 20 38.655 66.498 -42.443 1.00 0.00 H new ATOM 0 HG LEU A 20 41.511 67.306 -42.663 1.00 0.00 H new ATOM 0 HD11 LEU A 20 41.638 65.827 -40.656 1.00 0.00 H new ATOM 0 HD12 LEU A 20 40.300 66.992 -40.510 1.00 0.00 H new ATOM 0 HD13 LEU A 20 39.964 65.300 -40.948 1.00 0.00 H new ATOM 0 HD21 LEU A 20 42.336 64.983 -42.880 1.00 0.00 H new ATOM 0 HD22 LEU A 20 40.673 64.420 -43.176 1.00 0.00 H new ATOM 0 HD23 LEU A 20 41.469 65.501 -44.345 1.00 0.00 H new ATOM 333 N ARG A 21 36.854 66.146 -44.559 1.00 0.00 N ATOM 334 CA ARG A 21 35.476 66.503 -44.996 1.00 0.00 C ATOM 335 C ARG A 21 34.555 66.477 -43.783 1.00 0.00 C ATOM 336 O ARG A 21 33.364 66.266 -43.891 1.00 0.00 O ATOM 337 CB ARG A 21 34.980 65.500 -46.040 1.00 0.00 C ATOM 338 CG ARG A 21 34.173 66.236 -47.109 1.00 0.00 C ATOM 339 CD ARG A 21 34.917 66.175 -48.445 1.00 0.00 C ATOM 340 NE ARG A 21 34.582 67.380 -49.255 1.00 0.00 N ATOM 341 CZ ARG A 21 34.567 67.305 -50.558 1.00 0.00 C ATOM 342 NH1 ARG A 21 35.374 66.484 -51.173 1.00 0.00 N ATOM 343 NH2 ARG A 21 33.746 68.050 -51.246 1.00 0.00 N ATOM 0 H ARG A 21 36.909 65.377 -43.891 1.00 0.00 H new ATOM 0 HA ARG A 21 35.480 67.498 -45.441 1.00 0.00 H new ATOM 0 HB2 ARG A 21 35.826 64.986 -46.497 1.00 0.00 H new ATOM 0 HB3 ARG A 21 34.363 64.738 -45.564 1.00 0.00 H new ATOM 0 HG2 ARG A 21 33.186 65.784 -47.210 1.00 0.00 H new ATOM 0 HG3 ARG A 21 34.020 67.274 -46.813 1.00 0.00 H new ATOM 0 HD2 ARG A 21 35.992 66.127 -48.273 1.00 0.00 H new ATOM 0 HD3 ARG A 21 34.640 65.271 -48.987 1.00 0.00 H new ATOM 0 HE ARG A 21 34.365 68.262 -48.792 1.00 0.00 H new ATOM 0 HH11 ARG A 21 36.016 65.901 -50.635 1.00 0.00 H new ATOM 0 HH12 ARG A 21 35.363 66.425 -52.191 1.00 0.00 H new ATOM 0 HH21 ARG A 21 33.115 68.692 -50.766 1.00 0.00 H new ATOM 0 HH22 ARG A 21 33.735 67.991 -52.264 1.00 0.00 H new ATOM 357 N LYS A 22 35.115 66.704 -42.630 1.00 0.00 N ATOM 358 CA LYS A 22 34.318 66.714 -41.369 1.00 0.00 C ATOM 359 C LYS A 22 33.234 65.632 -41.408 1.00 0.00 C ATOM 360 O LYS A 22 32.177 65.814 -41.980 1.00 0.00 O ATOM 361 CB LYS A 22 33.651 68.079 -41.196 1.00 0.00 C ATOM 362 CG LYS A 22 34.634 69.194 -41.561 1.00 0.00 C ATOM 363 CD LYS A 22 33.855 70.397 -42.097 1.00 0.00 C ATOM 364 CE LYS A 22 34.089 71.604 -41.187 1.00 0.00 C ATOM 365 NZ LYS A 22 33.279 72.756 -41.676 1.00 0.00 N ATOM 0 H LYS A 22 36.111 66.887 -42.504 1.00 0.00 H new ATOM 0 HA LYS A 22 34.990 66.516 -40.534 1.00 0.00 H new ATOM 0 HB2 LYS A 22 32.766 68.143 -41.828 1.00 0.00 H new ATOM 0 HB3 LYS A 22 33.316 68.201 -40.166 1.00 0.00 H new ATOM 0 HG2 LYS A 22 35.216 69.483 -40.686 1.00 0.00 H new ATOM 0 HG3 LYS A 22 35.341 68.840 -42.311 1.00 0.00 H new ATOM 0 HD2 LYS A 22 34.175 70.627 -43.113 1.00 0.00 H new ATOM 0 HD3 LYS A 22 32.791 70.164 -42.143 1.00 0.00 H new ATOM 0 HE2 LYS A 22 33.812 71.360 -40.162 1.00 0.00 H new ATOM 0 HE3 LYS A 22 35.147 71.867 -41.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 33.437 73.578 -41.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 33.564 72.993 -42.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 32.271 72.502 -41.663 1.00 0.00 H new ATOM 379 N GLY A 23 33.480 64.511 -40.792 1.00 0.00 N ATOM 380 CA GLY A 23 32.461 63.425 -40.786 1.00 0.00 C ATOM 381 C GLY A 23 33.117 62.124 -41.239 1.00 0.00 C ATOM 382 O GLY A 23 33.327 61.217 -40.457 1.00 0.00 O ATOM 0 H GLY A 23 34.343 64.299 -40.292 1.00 0.00 H new ATOM 0 HA2 GLY A 23 32.043 63.307 -39.786 1.00 0.00 H new ATOM 0 HA3 GLY A 23 31.635 63.681 -41.449 1.00 0.00 H new ATOM 386 N ASP A 24 33.450 62.025 -42.495 1.00 0.00 N ATOM 387 CA ASP A 24 34.102 60.785 -42.990 1.00 0.00 C ATOM 388 C ASP A 24 35.299 60.463 -42.096 1.00 0.00 C ATOM 389 O ASP A 24 36.156 61.293 -41.869 1.00 0.00 O ATOM 390 CB ASP A 24 34.580 60.995 -44.426 1.00 0.00 C ATOM 391 CG ASP A 24 33.499 61.731 -45.221 1.00 0.00 C ATOM 392 OD1 ASP A 24 33.391 62.935 -45.062 1.00 0.00 O ATOM 393 OD2 ASP A 24 32.798 61.076 -45.975 1.00 0.00 O ATOM 0 H ASP A 24 33.299 62.748 -43.198 1.00 0.00 H new ATOM 0 HA ASP A 24 33.390 59.960 -42.966 1.00 0.00 H new ATOM 0 HB2 ASP A 24 35.506 61.570 -44.432 1.00 0.00 H new ATOM 0 HB3 ASP A 24 34.799 60.034 -44.892 1.00 0.00 H new ATOM 398 N GLU A 25 35.363 59.268 -41.585 1.00 0.00 N ATOM 399 CA GLU A 25 36.506 58.902 -40.703 1.00 0.00 C ATOM 400 C GLU A 25 37.706 58.522 -41.565 1.00 0.00 C ATOM 401 O GLU A 25 37.588 58.329 -42.759 1.00 0.00 O ATOM 402 CB GLU A 25 36.117 57.718 -39.815 1.00 0.00 C ATOM 403 CG GLU A 25 34.624 57.795 -39.483 1.00 0.00 C ATOM 404 CD GLU A 25 33.864 56.751 -40.302 1.00 0.00 C ATOM 405 OE1 GLU A 25 34.223 55.588 -40.223 1.00 0.00 O ATOM 406 OE2 GLU A 25 32.934 57.132 -40.993 1.00 0.00 O ATOM 0 H GLU A 25 34.676 58.530 -41.738 1.00 0.00 H new ATOM 0 HA GLU A 25 36.763 59.752 -40.072 1.00 0.00 H new ATOM 0 HB2 GLU A 25 36.339 56.780 -40.324 1.00 0.00 H new ATOM 0 HB3 GLU A 25 36.705 57.730 -38.897 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.468 57.621 -38.418 1.00 0.00 H new ATOM 0 HG3 GLU A 25 34.243 58.792 -39.702 1.00 0.00 H new ATOM 413 N TYR A 26 38.862 58.427 -40.972 1.00 0.00 N ATOM 414 CA TYR A 26 40.072 58.080 -41.761 1.00 0.00 C ATOM 415 C TYR A 26 40.723 56.813 -41.212 1.00 0.00 C ATOM 416 O TYR A 26 41.328 56.823 -40.158 1.00 0.00 O ATOM 417 CB TYR A 26 41.065 59.235 -41.674 1.00 0.00 C ATOM 418 CG TYR A 26 40.358 60.517 -42.030 1.00 0.00 C ATOM 419 CD1 TYR A 26 39.349 60.510 -42.998 1.00 0.00 C ATOM 420 CD2 TYR A 26 40.711 61.713 -41.396 1.00 0.00 C ATOM 421 CE1 TYR A 26 38.696 61.695 -43.339 1.00 0.00 C ATOM 422 CE2 TYR A 26 40.055 62.901 -41.735 1.00 0.00 C ATOM 423 CZ TYR A 26 39.048 62.891 -42.708 1.00 0.00 C ATOM 424 OH TYR A 26 38.407 64.060 -43.053 1.00 0.00 O ATOM 0 H TYR A 26 39.020 58.575 -39.975 1.00 0.00 H new ATOM 0 HA TYR A 26 39.785 57.904 -42.798 1.00 0.00 H new ATOM 0 HB2 TYR A 26 41.479 59.300 -40.668 1.00 0.00 H new ATOM 0 HB3 TYR A 26 41.901 59.065 -42.353 1.00 0.00 H new ATOM 0 HD1 TYR A 26 39.074 59.585 -43.483 1.00 0.00 H new ATOM 0 HD2 TYR A 26 41.488 61.719 -40.646 1.00 0.00 H new ATOM 0 HE1 TYR A 26 37.920 61.688 -44.090 1.00 0.00 H new ATOM 0 HE2 TYR A 26 40.325 63.826 -41.247 1.00 0.00 H new ATOM 0 HH TYR A 26 37.977 63.952 -43.927 1.00 0.00 H new ATOM 434 N PHE A 27 40.625 55.731 -41.935 1.00 0.00 N ATOM 435 CA PHE A 27 41.260 54.467 -41.473 1.00 0.00 C ATOM 436 C PHE A 27 42.753 54.719 -41.362 1.00 0.00 C ATOM 437 O PHE A 27 43.426 54.976 -42.344 1.00 0.00 O ATOM 438 CB PHE A 27 40.994 53.349 -42.486 1.00 0.00 C ATOM 439 CG PHE A 27 39.599 52.806 -42.287 1.00 0.00 C ATOM 440 CD1 PHE A 27 38.489 53.560 -42.689 1.00 0.00 C ATOM 441 CD2 PHE A 27 39.414 51.548 -41.701 1.00 0.00 C ATOM 442 CE1 PHE A 27 37.196 53.057 -42.506 1.00 0.00 C ATOM 443 CE2 PHE A 27 38.121 51.044 -41.517 1.00 0.00 C ATOM 444 CZ PHE A 27 37.012 51.799 -41.921 1.00 0.00 C ATOM 0 H PHE A 27 40.132 55.669 -42.826 1.00 0.00 H new ATOM 0 HA PHE A 27 40.850 54.161 -40.511 1.00 0.00 H new ATOM 0 HB2 PHE A 27 41.105 53.730 -43.501 1.00 0.00 H new ATOM 0 HB3 PHE A 27 41.727 52.551 -42.363 1.00 0.00 H new ATOM 0 HD1 PHE A 27 38.631 54.531 -43.141 1.00 0.00 H new ATOM 0 HD2 PHE A 27 40.269 50.966 -41.391 1.00 0.00 H new ATOM 0 HE1 PHE A 27 36.341 53.639 -42.816 1.00 0.00 H new ATOM 0 HE2 PHE A 27 37.978 50.074 -41.064 1.00 0.00 H new ATOM 0 HZ PHE A 27 36.014 51.410 -41.781 1.00 0.00 H new ATOM 454 N ILE A 28 43.270 54.685 -40.172 1.00 0.00 N ATOM 455 CA ILE A 28 44.711 54.971 -39.987 1.00 0.00 C ATOM 456 C ILE A 28 45.558 53.756 -40.329 1.00 0.00 C ATOM 457 O ILE A 28 45.552 52.750 -39.647 1.00 0.00 O ATOM 458 CB ILE A 28 44.948 55.399 -38.544 1.00 0.00 C ATOM 459 CG1 ILE A 28 43.903 56.457 -38.155 1.00 0.00 C ATOM 460 CG2 ILE A 28 46.352 55.988 -38.419 1.00 0.00 C ATOM 461 CD1 ILE A 28 43.716 57.459 -39.305 1.00 0.00 C ATOM 0 H ILE A 28 42.755 54.471 -39.318 1.00 0.00 H new ATOM 0 HA ILE A 28 45.005 55.775 -40.662 1.00 0.00 H new ATOM 0 HB ILE A 28 44.857 54.539 -37.880 1.00 0.00 H new ATOM 0 HG12 ILE A 28 42.953 55.974 -37.924 1.00 0.00 H new ATOM 0 HG13 ILE A 28 44.222 56.981 -37.254 1.00 0.00 H new ATOM 0 HG21 ILE A 28 46.527 56.296 -37.388 1.00 0.00 H new ATOM 0 HG22 ILE A 28 47.089 55.236 -38.703 1.00 0.00 H new ATOM 0 HG23 ILE A 28 46.444 56.853 -39.076 1.00 0.00 H new ATOM 0 HD11 ILE A 28 42.974 58.205 -39.021 1.00 0.00 H new ATOM 0 HD12 ILE A 28 44.665 57.953 -39.515 1.00 0.00 H new ATOM 0 HD13 ILE A 28 43.377 56.931 -40.196 1.00 0.00 H new ATOM 473 N LEU A 29 46.299 53.867 -41.390 1.00 0.00 N ATOM 474 CA LEU A 29 47.182 52.765 -41.827 1.00 0.00 C ATOM 475 C LEU A 29 48.514 52.876 -41.079 1.00 0.00 C ATOM 476 O LEU A 29 49.409 52.072 -41.252 1.00 0.00 O ATOM 477 CB LEU A 29 47.399 52.900 -43.336 1.00 0.00 C ATOM 478 CG LEU A 29 48.346 54.065 -43.631 1.00 0.00 C ATOM 479 CD1 LEU A 29 49.573 53.548 -44.382 1.00 0.00 C ATOM 480 CD2 LEU A 29 47.618 55.097 -44.496 1.00 0.00 C ATOM 0 H LEU A 29 46.328 54.696 -41.984 1.00 0.00 H new ATOM 0 HA LEU A 29 46.738 51.793 -41.610 1.00 0.00 H new ATOM 0 HB2 LEU A 29 47.814 51.974 -43.735 1.00 0.00 H new ATOM 0 HB3 LEU A 29 46.444 53.063 -43.835 1.00 0.00 H new ATOM 0 HG LEU A 29 48.662 54.526 -42.695 1.00 0.00 H new ATOM 0 HD11 LEU A 29 50.247 54.378 -44.592 1.00 0.00 H new ATOM 0 HD12 LEU A 29 50.088 52.807 -43.771 1.00 0.00 H new ATOM 0 HD13 LEU A 29 49.259 53.089 -45.320 1.00 0.00 H new ATOM 0 HD21 LEU A 29 48.288 55.930 -44.710 1.00 0.00 H new ATOM 0 HD22 LEU A 29 47.306 54.633 -45.432 1.00 0.00 H new ATOM 0 HD23 LEU A 29 46.741 55.464 -43.963 1.00 0.00 H new ATOM 492 N GLU A 30 48.645 53.875 -40.242 1.00 0.00 N ATOM 493 CA GLU A 30 49.902 54.060 -39.468 1.00 0.00 C ATOM 494 C GLU A 30 49.752 55.301 -38.584 1.00 0.00 C ATOM 495 O GLU A 30 49.031 56.221 -38.915 1.00 0.00 O ATOM 496 CB GLU A 30 51.078 54.249 -40.428 1.00 0.00 C ATOM 497 CG GLU A 30 52.031 53.058 -40.306 1.00 0.00 C ATOM 498 CD GLU A 30 52.864 53.197 -39.030 1.00 0.00 C ATOM 499 OE1 GLU A 30 53.873 53.880 -39.077 1.00 0.00 O ATOM 500 OE2 GLU A 30 52.479 52.617 -38.029 1.00 0.00 O ATOM 0 H GLU A 30 47.925 54.575 -40.063 1.00 0.00 H new ATOM 0 HA GLU A 30 50.091 53.182 -38.850 1.00 0.00 H new ATOM 0 HB2 GLU A 30 50.715 54.335 -41.452 1.00 0.00 H new ATOM 0 HB3 GLU A 30 51.605 55.175 -40.198 1.00 0.00 H new ATOM 0 HG2 GLU A 30 51.465 52.127 -40.283 1.00 0.00 H new ATOM 0 HG3 GLU A 30 52.685 53.012 -41.177 1.00 0.00 H new ATOM 507 N GLU A 31 50.414 55.334 -37.462 1.00 0.00 N ATOM 508 CA GLU A 31 50.289 56.518 -36.566 1.00 0.00 C ATOM 509 C GLU A 31 51.681 57.029 -36.187 1.00 0.00 C ATOM 510 O GLU A 31 52.675 56.653 -36.775 1.00 0.00 O ATOM 511 CB GLU A 31 49.532 56.116 -35.299 1.00 0.00 C ATOM 512 CG GLU A 31 50.411 55.192 -34.452 1.00 0.00 C ATOM 513 CD GLU A 31 49.739 54.947 -33.101 1.00 0.00 C ATOM 514 OE1 GLU A 31 48.538 55.140 -33.014 1.00 0.00 O ATOM 515 OE2 GLU A 31 50.437 54.569 -32.174 1.00 0.00 O ATOM 0 H GLU A 31 51.034 54.596 -37.127 1.00 0.00 H new ATOM 0 HA GLU A 31 49.745 57.308 -37.084 1.00 0.00 H new ATOM 0 HB2 GLU A 31 49.261 57.003 -34.727 1.00 0.00 H new ATOM 0 HB3 GLU A 31 48.603 55.611 -35.562 1.00 0.00 H new ATOM 0 HG2 GLU A 31 50.567 54.246 -34.970 1.00 0.00 H new ATOM 0 HG3 GLU A 31 51.393 55.641 -34.305 1.00 0.00 H new ATOM 522 N SER A 32 51.756 57.885 -35.204 1.00 0.00 N ATOM 523 CA SER A 32 53.079 58.425 -34.779 1.00 0.00 C ATOM 524 C SER A 32 52.868 59.504 -33.715 1.00 0.00 C ATOM 525 O SER A 32 51.829 60.130 -33.653 1.00 0.00 O ATOM 526 CB SER A 32 53.793 59.032 -35.989 1.00 0.00 C ATOM 527 OG SER A 32 54.707 60.027 -35.544 1.00 0.00 O ATOM 0 H SER A 32 50.956 58.234 -34.676 1.00 0.00 H new ATOM 0 HA SER A 32 53.687 57.620 -34.365 1.00 0.00 H new ATOM 0 HB2 SER A 32 54.323 58.255 -36.541 1.00 0.00 H new ATOM 0 HB3 SER A 32 53.066 59.469 -36.673 1.00 0.00 H new ATOM 0 HG SER A 32 55.168 60.417 -36.316 1.00 0.00 H new ATOM 533 N ASN A 33 53.845 59.725 -32.876 1.00 0.00 N ATOM 534 CA ASN A 33 53.698 60.763 -31.816 1.00 0.00 C ATOM 535 C ASN A 33 53.042 62.011 -32.409 1.00 0.00 C ATOM 536 O ASN A 33 52.109 62.557 -31.853 1.00 0.00 O ATOM 537 CB ASN A 33 55.077 61.127 -31.262 1.00 0.00 C ATOM 538 CG ASN A 33 54.925 62.178 -30.161 1.00 0.00 C ATOM 539 OD1 ASN A 33 55.707 63.104 -30.077 1.00 0.00 O ATOM 540 ND2 ASN A 33 53.942 62.075 -29.308 1.00 0.00 N ATOM 0 H ASN A 33 54.738 59.232 -32.879 1.00 0.00 H new ATOM 0 HA ASN A 33 53.075 60.373 -31.012 1.00 0.00 H new ATOM 0 HB2 ASN A 33 55.567 60.238 -30.865 1.00 0.00 H new ATOM 0 HB3 ASN A 33 55.711 61.511 -32.061 1.00 0.00 H new ATOM 0 HD21 ASN A 33 53.831 62.772 -28.571 1.00 0.00 H new ATOM 0 HD22 ASN A 33 53.285 61.298 -29.378 1.00 0.00 H new ATOM 547 N LEU A 34 53.518 62.463 -33.540 1.00 0.00 N ATOM 548 CA LEU A 34 52.918 63.669 -34.177 1.00 0.00 C ATOM 549 C LEU A 34 51.391 63.578 -34.085 1.00 0.00 C ATOM 550 O LEU A 34 50.853 62.510 -33.875 1.00 0.00 O ATOM 551 CB LEU A 34 53.341 63.718 -35.649 1.00 0.00 C ATOM 552 CG LEU A 34 54.868 63.761 -35.744 1.00 0.00 C ATOM 553 CD1 LEU A 34 55.282 63.958 -37.202 1.00 0.00 C ATOM 554 CD2 LEU A 34 55.399 64.922 -34.901 1.00 0.00 C ATOM 0 H LEU A 34 54.298 62.047 -34.049 1.00 0.00 H new ATOM 0 HA LEU A 34 53.260 64.570 -33.668 1.00 0.00 H new ATOM 0 HB2 LEU A 34 52.958 62.845 -36.177 1.00 0.00 H new ATOM 0 HB3 LEU A 34 52.912 64.596 -36.132 1.00 0.00 H new ATOM 0 HG LEU A 34 55.282 62.824 -35.372 1.00 0.00 H new ATOM 0 HD11 LEU A 34 56.369 63.989 -37.270 1.00 0.00 H new ATOM 0 HD12 LEU A 34 54.904 63.131 -37.803 1.00 0.00 H new ATOM 0 HD13 LEU A 34 54.868 64.895 -37.574 1.00 0.00 H new ATOM 0 HD21 LEU A 34 56.486 64.953 -34.968 1.00 0.00 H new ATOM 0 HD22 LEU A 34 54.986 65.860 -35.272 1.00 0.00 H new ATOM 0 HD23 LEU A 34 55.104 64.781 -33.861 1.00 0.00 H new ATOM 566 N PRO A 35 50.738 64.700 -34.248 1.00 0.00 N ATOM 567 CA PRO A 35 49.268 64.770 -34.188 1.00 0.00 C ATOM 568 C PRO A 35 48.662 64.192 -35.468 1.00 0.00 C ATOM 569 O PRO A 35 47.620 63.568 -35.445 1.00 0.00 O ATOM 570 CB PRO A 35 48.980 66.268 -34.052 1.00 0.00 C ATOM 571 CG PRO A 35 50.230 67.001 -34.590 1.00 0.00 C ATOM 572 CD PRO A 35 51.396 65.998 -34.510 1.00 0.00 C ATOM 0 HA PRO A 35 48.838 64.195 -33.368 1.00 0.00 H new ATOM 0 HB2 PRO A 35 48.092 66.546 -34.619 1.00 0.00 H new ATOM 0 HB3 PRO A 35 48.790 66.535 -33.012 1.00 0.00 H new ATOM 0 HG2 PRO A 35 50.073 67.332 -35.617 1.00 0.00 H new ATOM 0 HG3 PRO A 35 50.443 67.891 -33.997 1.00 0.00 H new ATOM 0 HD2 PRO A 35 51.967 65.975 -35.438 1.00 0.00 H new ATOM 0 HD3 PRO A 35 52.093 66.260 -33.714 1.00 0.00 H new ATOM 579 N TRP A 36 49.314 64.376 -36.584 1.00 0.00 N ATOM 580 CA TRP A 36 48.777 63.815 -37.856 1.00 0.00 C ATOM 581 C TRP A 36 49.289 62.381 -38.002 1.00 0.00 C ATOM 582 O TRP A 36 50.421 62.087 -37.672 1.00 0.00 O ATOM 583 CB TRP A 36 49.252 64.647 -39.057 1.00 0.00 C ATOM 584 CG TRP A 36 49.722 65.997 -38.609 1.00 0.00 C ATOM 585 CD1 TRP A 36 48.992 66.878 -37.888 1.00 0.00 C ATOM 586 CD2 TRP A 36 51.012 66.631 -38.845 1.00 0.00 C ATOM 587 NE1 TRP A 36 49.752 68.013 -37.667 1.00 0.00 N ATOM 588 CE2 TRP A 36 51.004 67.908 -38.237 1.00 0.00 C ATOM 589 CE3 TRP A 36 52.177 66.226 -39.522 1.00 0.00 C ATOM 590 CZ2 TRP A 36 52.114 68.754 -38.298 1.00 0.00 C ATOM 591 CZ3 TRP A 36 53.294 67.074 -39.585 1.00 0.00 C ATOM 592 CH2 TRP A 36 53.263 68.336 -38.974 1.00 0.00 C ATOM 0 H TRP A 36 50.192 64.888 -36.670 1.00 0.00 H new ATOM 0 HA TRP A 36 47.688 63.836 -37.830 1.00 0.00 H new ATOM 0 HB2 TRP A 36 50.060 64.126 -39.570 1.00 0.00 H new ATOM 0 HB3 TRP A 36 48.439 64.758 -39.774 1.00 0.00 H new ATOM 0 HD1 TRP A 36 47.981 66.721 -37.541 1.00 0.00 H new ATOM 0 HE1 TRP A 36 49.426 68.828 -37.146 1.00 0.00 H new ATOM 0 HE3 TRP A 36 52.212 65.256 -39.996 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 52.084 69.725 -37.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 54.183 66.752 -40.107 1.00 0.00 H new ATOM 0 HH2 TRP A 36 54.126 68.984 -39.026 1.00 0.00 H new ATOM 603 N TRP A 37 48.476 61.481 -38.488 1.00 0.00 N ATOM 604 CA TRP A 37 48.947 60.075 -38.636 1.00 0.00 C ATOM 605 C TRP A 37 49.001 59.709 -40.119 1.00 0.00 C ATOM 606 O TRP A 37 48.897 60.558 -40.980 1.00 0.00 O ATOM 607 CB TRP A 37 47.989 59.129 -37.905 1.00 0.00 C ATOM 608 CG TRP A 37 48.229 59.212 -36.430 1.00 0.00 C ATOM 609 CD1 TRP A 37 49.215 59.928 -35.842 1.00 0.00 C ATOM 610 CD2 TRP A 37 47.492 58.566 -35.351 1.00 0.00 C ATOM 611 NE1 TRP A 37 49.128 59.765 -34.471 1.00 0.00 N ATOM 612 CE2 TRP A 37 48.082 58.934 -34.119 1.00 0.00 C ATOM 613 CE3 TRP A 37 46.378 57.707 -35.322 1.00 0.00 C ATOM 614 CZ2 TRP A 37 47.586 58.466 -32.901 1.00 0.00 C ATOM 615 CZ3 TRP A 37 45.877 57.233 -34.098 1.00 0.00 C ATOM 616 CH2 TRP A 37 46.480 57.612 -32.891 1.00 0.00 C ATOM 0 H TRP A 37 47.516 61.656 -38.786 1.00 0.00 H new ATOM 0 HA TRP A 37 49.943 59.980 -38.203 1.00 0.00 H new ATOM 0 HB2 TRP A 37 46.956 59.395 -38.131 1.00 0.00 H new ATOM 0 HB3 TRP A 37 48.138 58.106 -38.251 1.00 0.00 H new ATOM 0 HD1 TRP A 37 49.949 60.528 -36.358 1.00 0.00 H new ATOM 0 HE1 TRP A 37 49.759 60.205 -33.801 1.00 0.00 H new ATOM 0 HE3 TRP A 37 45.905 57.410 -36.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 48.054 58.762 -31.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 45.022 56.573 -34.087 1.00 0.00 H new ATOM 0 HH2 TRP A 37 46.090 57.244 -31.953 1.00 0.00 H new ATOM 627 N ARG A 38 49.150 58.449 -40.421 1.00 0.00 N ATOM 628 CA ARG A 38 49.200 58.017 -41.842 1.00 0.00 C ATOM 629 C ARG A 38 47.930 57.234 -42.135 1.00 0.00 C ATOM 630 O ARG A 38 47.763 56.116 -41.692 1.00 0.00 O ATOM 631 CB ARG A 38 50.421 57.124 -42.070 1.00 0.00 C ATOM 632 CG ARG A 38 50.712 57.028 -43.568 1.00 0.00 C ATOM 633 CD ARG A 38 51.937 56.140 -43.794 1.00 0.00 C ATOM 634 NE ARG A 38 53.067 56.972 -44.295 1.00 0.00 N ATOM 635 CZ ARG A 38 54.209 56.412 -44.585 1.00 0.00 C ATOM 636 NH1 ARG A 38 54.262 55.463 -45.478 1.00 0.00 N ATOM 637 NH2 ARG A 38 55.297 56.800 -43.980 1.00 0.00 N ATOM 0 H ARG A 38 49.240 57.697 -39.738 1.00 0.00 H new ATOM 0 HA ARG A 38 49.276 58.883 -42.500 1.00 0.00 H new ATOM 0 HB2 ARG A 38 51.286 57.532 -41.546 1.00 0.00 H new ATOM 0 HB3 ARG A 38 50.240 56.131 -41.660 1.00 0.00 H new ATOM 0 HG2 ARG A 38 49.849 56.616 -44.091 1.00 0.00 H new ATOM 0 HG3 ARG A 38 50.889 58.022 -43.979 1.00 0.00 H new ATOM 0 HD2 ARG A 38 52.219 55.647 -42.864 1.00 0.00 H new ATOM 0 HD3 ARG A 38 51.703 55.355 -44.513 1.00 0.00 H new ATOM 0 HE ARG A 38 52.948 57.978 -44.411 1.00 0.00 H new ATOM 0 HH11 ARG A 38 53.410 55.159 -45.950 1.00 0.00 H new ATOM 0 HH12 ARG A 38 55.155 55.025 -45.705 1.00 0.00 H new ATOM 0 HH21 ARG A 38 55.255 57.541 -43.280 1.00 0.00 H new ATOM 0 HH22 ARG A 38 56.190 56.362 -44.206 1.00 0.00 H new ATOM 651 N ALA A 39 47.014 57.823 -42.838 1.00 0.00 N ATOM 652 CA ALA A 39 45.740 57.122 -43.109 1.00 0.00 C ATOM 653 C ALA A 39 45.210 57.493 -44.487 1.00 0.00 C ATOM 654 O ALA A 39 45.642 58.448 -45.096 1.00 0.00 O ATOM 655 CB ALA A 39 44.735 57.584 -42.058 1.00 0.00 C ATOM 0 H ALA A 39 47.092 58.759 -43.236 1.00 0.00 H new ATOM 0 HA ALA A 39 45.894 56.043 -43.074 1.00 0.00 H new ATOM 0 HB1 ALA A 39 43.779 57.087 -42.225 1.00 0.00 H new ATOM 0 HB2 ALA A 39 45.106 57.332 -41.064 1.00 0.00 H new ATOM 0 HB3 ALA A 39 44.601 58.663 -42.132 1.00 0.00 H new ATOM 661 N ARG A 40 44.249 56.757 -44.960 1.00 0.00 N ATOM 662 CA ARG A 40 43.643 57.075 -46.278 1.00 0.00 C ATOM 663 C ARG A 40 42.228 57.577 -46.006 1.00 0.00 C ATOM 664 O ARG A 40 41.316 56.805 -45.787 1.00 0.00 O ATOM 665 CB ARG A 40 43.597 55.816 -47.149 1.00 0.00 C ATOM 666 CG ARG A 40 42.777 56.095 -48.411 1.00 0.00 C ATOM 667 CD ARG A 40 43.084 55.032 -49.468 1.00 0.00 C ATOM 668 NE ARG A 40 43.306 53.718 -48.803 1.00 0.00 N ATOM 669 CZ ARG A 40 42.585 52.684 -49.144 1.00 0.00 C ATOM 670 NH1 ARG A 40 41.613 52.282 -48.371 1.00 0.00 N ATOM 671 NH2 ARG A 40 42.837 52.050 -50.257 1.00 0.00 N ATOM 0 H ARG A 40 43.855 55.944 -44.488 1.00 0.00 H new ATOM 0 HA ARG A 40 44.228 57.828 -46.807 1.00 0.00 H new ATOM 0 HB2 ARG A 40 44.608 55.512 -47.420 1.00 0.00 H new ATOM 0 HB3 ARG A 40 43.155 54.991 -46.591 1.00 0.00 H new ATOM 0 HG2 ARG A 40 41.713 56.090 -48.174 1.00 0.00 H new ATOM 0 HG3 ARG A 40 43.013 57.086 -48.798 1.00 0.00 H new ATOM 0 HD2 ARG A 40 42.258 54.958 -50.175 1.00 0.00 H new ATOM 0 HD3 ARG A 40 43.968 55.316 -50.039 1.00 0.00 H new ATOM 0 HE ARG A 40 44.021 53.626 -48.081 1.00 0.00 H new ATOM 0 HH11 ARG A 40 41.416 52.776 -47.500 1.00 0.00 H new ATOM 0 HH12 ARG A 40 41.050 51.474 -48.638 1.00 0.00 H new ATOM 0 HH21 ARG A 40 43.597 52.362 -50.861 1.00 0.00 H new ATOM 0 HH22 ARG A 40 42.273 51.242 -50.523 1.00 0.00 H new ATOM 685 N ASP A 41 42.043 58.869 -45.977 1.00 0.00 N ATOM 686 CA ASP A 41 40.690 59.413 -45.672 1.00 0.00 C ATOM 687 C ASP A 41 39.625 58.633 -46.443 1.00 0.00 C ATOM 688 O ASP A 41 39.924 57.853 -47.325 1.00 0.00 O ATOM 689 CB ASP A 41 40.622 60.892 -46.048 1.00 0.00 C ATOM 690 CG ASP A 41 41.174 61.093 -47.459 1.00 0.00 C ATOM 691 OD1 ASP A 41 41.385 60.101 -48.139 1.00 0.00 O ATOM 692 OD2 ASP A 41 41.378 62.234 -47.838 1.00 0.00 O ATOM 0 H ASP A 41 42.766 59.567 -46.150 1.00 0.00 H new ATOM 0 HA ASP A 41 40.503 59.309 -44.603 1.00 0.00 H new ATOM 0 HB2 ASP A 41 39.591 61.243 -45.997 1.00 0.00 H new ATOM 0 HB3 ASP A 41 41.196 61.485 -45.335 1.00 0.00 H new ATOM 697 N LYS A 42 38.380 58.838 -46.110 1.00 0.00 N ATOM 698 CA LYS A 42 37.285 58.108 -46.811 1.00 0.00 C ATOM 699 C LYS A 42 37.258 58.502 -48.288 1.00 0.00 C ATOM 700 O LYS A 42 36.564 57.902 -49.086 1.00 0.00 O ATOM 701 CB LYS A 42 35.944 58.462 -46.167 1.00 0.00 C ATOM 702 CG LYS A 42 34.980 57.286 -46.323 1.00 0.00 C ATOM 703 CD LYS A 42 33.579 57.815 -46.633 1.00 0.00 C ATOM 704 CE LYS A 42 32.674 56.653 -47.047 1.00 0.00 C ATOM 705 NZ LYS A 42 32.565 56.614 -48.534 1.00 0.00 N ATOM 0 H LYS A 42 38.073 59.481 -45.381 1.00 0.00 H new ATOM 0 HA LYS A 42 37.461 57.035 -46.729 1.00 0.00 H new ATOM 0 HB2 LYS A 42 36.085 58.693 -45.111 1.00 0.00 H new ATOM 0 HB3 LYS A 42 35.527 59.353 -46.636 1.00 0.00 H new ATOM 0 HG2 LYS A 42 35.318 56.628 -47.124 1.00 0.00 H new ATOM 0 HG3 LYS A 42 34.962 56.692 -45.409 1.00 0.00 H new ATOM 0 HD2 LYS A 42 33.167 58.317 -45.758 1.00 0.00 H new ATOM 0 HD3 LYS A 42 33.627 58.555 -47.432 1.00 0.00 H new ATOM 0 HE2 LYS A 42 33.080 55.712 -46.677 1.00 0.00 H new ATOM 0 HE3 LYS A 42 31.686 56.771 -46.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 31.950 55.824 -48.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 32.159 57.508 -48.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 33.510 56.482 -48.948 1.00 0.00 H new ATOM 719 N ASN A 43 38.007 59.501 -48.665 1.00 0.00 N ATOM 720 CA ASN A 43 38.019 59.921 -50.093 1.00 0.00 C ATOM 721 C ASN A 43 38.928 58.985 -50.889 1.00 0.00 C ATOM 722 O ASN A 43 39.174 59.193 -52.061 1.00 0.00 O ATOM 723 CB ASN A 43 38.545 61.354 -50.199 1.00 0.00 C ATOM 724 CG ASN A 43 37.444 62.266 -50.743 1.00 0.00 C ATOM 725 OD1 ASN A 43 36.666 62.815 -49.987 1.00 0.00 O ATOM 726 ND2 ASN A 43 37.345 62.454 -52.030 1.00 0.00 N ATOM 0 H ASN A 43 38.610 60.043 -48.047 1.00 0.00 H new ATOM 0 HA ASN A 43 37.007 59.875 -50.495 1.00 0.00 H new ATOM 0 HB2 ASN A 43 38.872 61.705 -49.220 1.00 0.00 H new ATOM 0 HB3 ASN A 43 39.415 61.385 -50.856 1.00 0.00 H new ATOM 0 HD21 ASN A 43 36.615 63.062 -52.402 1.00 0.00 H new ATOM 0 HD22 ASN A 43 37.998 61.994 -52.664 1.00 0.00 H new ATOM 733 N GLY A 44 39.431 57.956 -50.264 1.00 0.00 N ATOM 734 CA GLY A 44 40.323 57.010 -50.987 1.00 0.00 C ATOM 735 C GLY A 44 41.646 57.705 -51.303 1.00 0.00 C ATOM 736 O GLY A 44 42.181 57.579 -52.387 1.00 0.00 O ATOM 0 H GLY A 44 39.262 57.731 -49.284 1.00 0.00 H new ATOM 0 HA2 GLY A 44 40.501 56.123 -50.379 1.00 0.00 H new ATOM 0 HA3 GLY A 44 39.846 56.674 -51.908 1.00 0.00 H new ATOM 740 N GLN A 45 42.181 58.436 -50.364 1.00 0.00 N ATOM 741 CA GLN A 45 43.464 59.136 -50.607 1.00 0.00 C ATOM 742 C GLN A 45 44.371 58.910 -49.403 1.00 0.00 C ATOM 743 O GLN A 45 44.032 59.264 -48.291 1.00 0.00 O ATOM 744 CB GLN A 45 43.200 60.632 -50.779 1.00 0.00 C ATOM 745 CG GLN A 45 44.145 61.206 -51.835 1.00 0.00 C ATOM 746 CD GLN A 45 44.273 62.716 -51.636 1.00 0.00 C ATOM 747 OE1 GLN A 45 43.318 63.447 -51.811 1.00 0.00 O ATOM 748 NE2 GLN A 45 45.422 63.219 -51.277 1.00 0.00 N ATOM 0 H GLN A 45 41.780 58.576 -49.437 1.00 0.00 H new ATOM 0 HA GLN A 45 43.940 58.752 -51.509 1.00 0.00 H new ATOM 0 HB2 GLN A 45 42.164 60.796 -51.077 1.00 0.00 H new ATOM 0 HB3 GLN A 45 43.344 61.148 -49.830 1.00 0.00 H new ATOM 0 HG2 GLN A 45 45.124 60.734 -51.757 1.00 0.00 H new ATOM 0 HG3 GLN A 45 43.765 60.991 -52.834 1.00 0.00 H new ATOM 0 HE21 GLN A 45 46.224 62.606 -51.130 1.00 0.00 H new ATOM 0 HE22 GLN A 45 45.519 64.226 -51.143 1.00 0.00 H new ATOM 757 N GLU A 46 45.514 58.318 -49.613 1.00 0.00 N ATOM 758 CA GLU A 46 46.444 58.066 -48.479 1.00 0.00 C ATOM 759 C GLU A 46 47.233 59.342 -48.200 1.00 0.00 C ATOM 760 O GLU A 46 47.765 59.961 -49.099 1.00 0.00 O ATOM 761 CB GLU A 46 47.400 56.931 -48.850 1.00 0.00 C ATOM 762 CG GLU A 46 46.622 55.833 -49.577 1.00 0.00 C ATOM 763 CD GLU A 46 47.564 54.676 -49.915 1.00 0.00 C ATOM 764 OE1 GLU A 46 48.639 54.627 -49.342 1.00 0.00 O ATOM 765 OE2 GLU A 46 47.196 53.860 -50.744 1.00 0.00 O ATOM 0 H GLU A 46 45.844 57.998 -50.523 1.00 0.00 H new ATOM 0 HA GLU A 46 45.884 57.780 -47.589 1.00 0.00 H new ATOM 0 HB2 GLU A 46 48.201 57.308 -49.486 1.00 0.00 H new ATOM 0 HB3 GLU A 46 47.869 56.527 -47.953 1.00 0.00 H new ATOM 0 HG2 GLU A 46 45.803 55.478 -48.951 1.00 0.00 H new ATOM 0 HG3 GLU A 46 46.177 56.231 -50.489 1.00 0.00 H new ATOM 772 N GLY A 47 47.300 59.757 -46.966 1.00 0.00 N ATOM 773 CA GLY A 47 48.039 61.009 -46.653 1.00 0.00 C ATOM 774 C GLY A 47 48.187 61.168 -45.141 1.00 0.00 C ATOM 775 O GLY A 47 47.986 60.240 -44.382 1.00 0.00 O ATOM 0 H GLY A 47 46.878 59.286 -46.166 1.00 0.00 H new ATOM 0 HA2 GLY A 47 49.023 60.987 -47.122 1.00 0.00 H new ATOM 0 HA3 GLY A 47 47.508 61.867 -47.066 1.00 0.00 H new ATOM 779 N TYR A 48 48.527 62.348 -44.699 1.00 0.00 N ATOM 780 CA TYR A 48 48.680 62.586 -43.238 1.00 0.00 C ATOM 781 C TYR A 48 47.448 63.333 -42.732 1.00 0.00 C ATOM 782 O TYR A 48 47.175 64.445 -43.135 1.00 0.00 O ATOM 783 CB TYR A 48 49.933 63.428 -42.982 1.00 0.00 C ATOM 784 CG TYR A 48 51.005 62.563 -42.361 1.00 0.00 C ATOM 785 CD1 TYR A 48 50.901 62.174 -41.019 1.00 0.00 C ATOM 786 CD2 TYR A 48 52.105 62.154 -43.125 1.00 0.00 C ATOM 787 CE1 TYR A 48 51.895 61.375 -40.443 1.00 0.00 C ATOM 788 CE2 TYR A 48 53.100 61.355 -42.549 1.00 0.00 C ATOM 789 CZ TYR A 48 52.995 60.966 -41.207 1.00 0.00 C ATOM 790 OH TYR A 48 53.976 60.178 -40.639 1.00 0.00 O ATOM 0 H TYR A 48 48.706 63.160 -45.290 1.00 0.00 H new ATOM 0 HA TYR A 48 48.779 61.635 -42.715 1.00 0.00 H new ATOM 0 HB2 TYR A 48 50.293 63.856 -43.917 1.00 0.00 H new ATOM 0 HB3 TYR A 48 49.695 64.261 -42.321 1.00 0.00 H new ATOM 0 HD1 TYR A 48 50.054 62.491 -40.429 1.00 0.00 H new ATOM 0 HD2 TYR A 48 52.186 62.455 -44.159 1.00 0.00 H new ATOM 0 HE1 TYR A 48 51.814 61.074 -39.409 1.00 0.00 H new ATOM 0 HE2 TYR A 48 53.948 61.039 -43.139 1.00 0.00 H new ATOM 0 HH TYR A 48 54.667 59.983 -41.307 1.00 0.00 H new ATOM 800 N ILE A 49 46.688 62.735 -41.861 1.00 0.00 N ATOM 801 CA ILE A 49 45.469 63.429 -41.361 1.00 0.00 C ATOM 802 C ILE A 49 45.720 63.935 -39.933 1.00 0.00 C ATOM 803 O ILE A 49 46.171 63.187 -39.089 1.00 0.00 O ATOM 804 CB ILE A 49 44.266 62.476 -41.363 1.00 0.00 C ATOM 805 CG1 ILE A 49 44.733 61.021 -41.459 1.00 0.00 C ATOM 806 CG2 ILE A 49 43.365 62.789 -42.558 1.00 0.00 C ATOM 807 CD1 ILE A 49 45.286 60.769 -42.861 1.00 0.00 C ATOM 0 H ILE A 49 46.854 61.805 -41.476 1.00 0.00 H new ATOM 0 HA ILE A 49 45.249 64.270 -42.019 1.00 0.00 H new ATOM 0 HB ILE A 49 43.715 62.614 -40.433 1.00 0.00 H new ATOM 0 HG12 ILE A 49 45.499 60.821 -40.710 1.00 0.00 H new ATOM 0 HG13 ILE A 49 43.903 60.345 -41.254 1.00 0.00 H new ATOM 0 HG21 ILE A 49 42.511 62.111 -42.558 1.00 0.00 H new ATOM 0 HG22 ILE A 49 43.012 63.818 -42.488 1.00 0.00 H new ATOM 0 HG23 ILE A 49 43.929 62.662 -43.482 1.00 0.00 H new ATOM 0 HD11 ILE A 49 45.621 59.735 -42.939 1.00 0.00 H new ATOM 0 HD12 ILE A 49 44.505 60.954 -43.599 1.00 0.00 H new ATOM 0 HD13 ILE A 49 46.126 61.438 -43.046 1.00 0.00 H new ATOM 819 N PRO A 50 45.426 65.194 -39.704 1.00 0.00 N ATOM 820 CA PRO A 50 45.619 65.830 -38.385 1.00 0.00 C ATOM 821 C PRO A 50 44.505 65.422 -37.415 1.00 0.00 C ATOM 822 O PRO A 50 43.396 65.129 -37.817 1.00 0.00 O ATOM 823 CB PRO A 50 45.550 67.328 -38.696 1.00 0.00 C ATOM 824 CG PRO A 50 44.774 67.463 -40.027 1.00 0.00 C ATOM 825 CD PRO A 50 44.872 66.099 -40.734 1.00 0.00 C ATOM 0 HA PRO A 50 46.554 65.539 -37.906 1.00 0.00 H new ATOM 0 HB2 PRO A 50 45.044 67.868 -37.895 1.00 0.00 H new ATOM 0 HB3 PRO A 50 46.550 67.753 -38.785 1.00 0.00 H new ATOM 0 HG2 PRO A 50 43.733 67.730 -39.843 1.00 0.00 H new ATOM 0 HG3 PRO A 50 45.201 68.252 -40.646 1.00 0.00 H new ATOM 0 HD2 PRO A 50 43.896 65.759 -41.079 1.00 0.00 H new ATOM 0 HD3 PRO A 50 45.520 66.150 -41.609 1.00 0.00 H new ATOM 832 N SER A 51 44.794 65.394 -36.140 1.00 0.00 N ATOM 833 CA SER A 51 43.758 65.000 -35.146 1.00 0.00 C ATOM 834 C SER A 51 43.036 66.242 -34.611 1.00 0.00 C ATOM 835 O SER A 51 41.855 66.205 -34.326 1.00 0.00 O ATOM 836 CB SER A 51 44.426 64.267 -33.982 1.00 0.00 C ATOM 837 OG SER A 51 44.788 62.957 -34.397 1.00 0.00 O ATOM 0 H SER A 51 45.705 65.628 -35.746 1.00 0.00 H new ATOM 0 HA SER A 51 43.032 64.347 -35.631 1.00 0.00 H new ATOM 0 HB2 SER A 51 45.310 64.813 -33.652 1.00 0.00 H new ATOM 0 HB3 SER A 51 43.747 64.217 -33.131 1.00 0.00 H new ATOM 0 HG SER A 51 45.694 62.971 -34.770 1.00 0.00 H new ATOM 843 N ASN A 52 43.733 67.335 -34.460 1.00 0.00 N ATOM 844 CA ASN A 52 43.080 68.567 -33.930 1.00 0.00 C ATOM 845 C ASN A 52 41.801 68.863 -34.719 1.00 0.00 C ATOM 846 O ASN A 52 40.895 69.506 -34.227 1.00 0.00 O ATOM 847 CB ASN A 52 44.040 69.752 -34.053 1.00 0.00 C ATOM 848 CG ASN A 52 44.679 69.752 -35.442 1.00 0.00 C ATOM 849 OD1 ASN A 52 44.299 68.979 -36.297 1.00 0.00 O ATOM 850 ND2 ASN A 52 45.642 70.593 -35.703 1.00 0.00 N ATOM 0 H ASN A 52 44.725 67.429 -34.680 1.00 0.00 H new ATOM 0 HA ASN A 52 42.826 68.411 -32.882 1.00 0.00 H new ATOM 0 HB2 ASN A 52 43.503 70.686 -33.888 1.00 0.00 H new ATOM 0 HB3 ASN A 52 44.812 69.689 -33.286 1.00 0.00 H new ATOM 0 HD21 ASN A 52 46.076 70.601 -36.626 1.00 0.00 H new ATOM 0 HD22 ASN A 52 45.961 71.242 -34.984 1.00 0.00 H new ATOM 857 N TYR A 53 41.717 68.402 -35.935 1.00 0.00 N ATOM 858 CA TYR A 53 40.491 68.661 -36.745 1.00 0.00 C ATOM 859 C TYR A 53 39.771 67.338 -37.004 1.00 0.00 C ATOM 860 O TYR A 53 39.105 67.167 -38.004 1.00 0.00 O ATOM 861 CB TYR A 53 40.886 69.300 -38.078 1.00 0.00 C ATOM 862 CG TYR A 53 41.899 70.391 -37.833 1.00 0.00 C ATOM 863 CD1 TYR A 53 41.519 71.565 -37.173 1.00 0.00 C ATOM 864 CD2 TYR A 53 43.221 70.228 -38.264 1.00 0.00 C ATOM 865 CE1 TYR A 53 42.460 72.577 -36.945 1.00 0.00 C ATOM 866 CE2 TYR A 53 44.162 71.238 -38.036 1.00 0.00 C ATOM 867 CZ TYR A 53 43.782 72.412 -37.376 1.00 0.00 C ATOM 868 OH TYR A 53 44.709 73.409 -37.151 1.00 0.00 O ATOM 0 H TYR A 53 42.441 67.858 -36.404 1.00 0.00 H new ATOM 0 HA TYR A 53 39.829 69.337 -36.204 1.00 0.00 H new ATOM 0 HB2 TYR A 53 41.303 68.546 -38.746 1.00 0.00 H new ATOM 0 HB3 TYR A 53 40.005 69.711 -38.571 1.00 0.00 H new ATOM 0 HD1 TYR A 53 40.500 71.691 -36.839 1.00 0.00 H new ATOM 0 HD2 TYR A 53 43.515 69.322 -38.773 1.00 0.00 H new ATOM 0 HE1 TYR A 53 42.166 73.484 -36.437 1.00 0.00 H new ATOM 0 HE2 TYR A 53 45.181 71.112 -38.369 1.00 0.00 H new ATOM 0 HH TYR A 53 45.578 73.135 -37.512 1.00 0.00 H new ATOM 878 N VAL A 54 39.910 66.401 -36.106 1.00 0.00 N ATOM 879 CA VAL A 54 39.253 65.069 -36.273 1.00 0.00 C ATOM 880 C VAL A 54 39.122 64.426 -34.895 1.00 0.00 C ATOM 881 O VAL A 54 39.100 65.104 -33.886 1.00 0.00 O ATOM 882 CB VAL A 54 40.109 64.190 -37.212 1.00 0.00 C ATOM 883 CG1 VAL A 54 40.857 65.078 -38.199 1.00 0.00 C ATOM 884 CG2 VAL A 54 41.121 63.364 -36.412 1.00 0.00 C ATOM 0 H VAL A 54 40.458 66.502 -35.252 1.00 0.00 H new ATOM 0 HA VAL A 54 38.263 65.177 -36.717 1.00 0.00 H new ATOM 0 HB VAL A 54 39.446 63.510 -37.747 1.00 0.00 H new ATOM 0 HG11 VAL A 54 41.461 64.458 -38.861 1.00 0.00 H new ATOM 0 HG12 VAL A 54 40.141 65.649 -38.790 1.00 0.00 H new ATOM 0 HG13 VAL A 54 41.505 65.763 -37.653 1.00 0.00 H new ATOM 0 HG21 VAL A 54 41.712 62.753 -37.094 1.00 0.00 H new ATOM 0 HG22 VAL A 54 41.781 64.033 -35.859 1.00 0.00 H new ATOM 0 HG23 VAL A 54 40.591 62.717 -35.713 1.00 0.00 H new ATOM 894 N THR A 55 39.026 63.134 -34.837 1.00 0.00 N ATOM 895 CA THR A 55 38.889 62.482 -33.518 1.00 0.00 C ATOM 896 C THR A 55 39.124 60.971 -33.644 1.00 0.00 C ATOM 897 O THR A 55 40.097 60.545 -34.231 1.00 0.00 O ATOM 898 CB THR A 55 37.493 62.799 -32.996 1.00 0.00 C ATOM 899 OG1 THR A 55 37.368 62.358 -31.652 1.00 0.00 O ATOM 900 CG2 THR A 55 36.440 62.118 -33.869 1.00 0.00 C ATOM 0 H THR A 55 39.036 62.506 -35.641 1.00 0.00 H new ATOM 0 HA THR A 55 39.634 62.855 -32.815 1.00 0.00 H new ATOM 0 HB THR A 55 37.338 63.877 -33.032 1.00 0.00 H new ATOM 0 HG1 THR A 55 36.469 62.566 -31.322 1.00 0.00 H new ATOM 0 HG21 THR A 55 35.446 62.351 -33.488 1.00 0.00 H new ATOM 0 HG22 THR A 55 36.529 62.478 -34.894 1.00 0.00 H new ATOM 0 HG23 THR A 55 36.593 61.039 -33.849 1.00 0.00 H new ATOM 908 N GLU A 56 38.261 60.160 -33.087 1.00 0.00 N ATOM 909 CA GLU A 56 38.456 58.683 -33.161 1.00 0.00 C ATOM 910 C GLU A 56 39.941 58.342 -32.976 1.00 0.00 C ATOM 911 O GLU A 56 40.559 58.799 -32.036 1.00 0.00 O ATOM 912 CB GLU A 56 37.928 58.151 -34.485 1.00 0.00 C ATOM 913 CG GLU A 56 36.426 58.421 -34.578 1.00 0.00 C ATOM 914 CD GLU A 56 35.659 57.321 -33.843 1.00 0.00 C ATOM 915 OE1 GLU A 56 36.223 56.742 -32.928 1.00 0.00 O ATOM 916 OE2 GLU A 56 34.521 57.075 -34.206 1.00 0.00 O ATOM 0 H GLU A 56 37.427 60.460 -32.582 1.00 0.00 H new ATOM 0 HA GLU A 56 37.895 58.204 -32.359 1.00 0.00 H new ATOM 0 HB2 GLU A 56 38.447 58.630 -35.315 1.00 0.00 H new ATOM 0 HB3 GLU A 56 38.122 57.081 -34.563 1.00 0.00 H new ATOM 0 HG2 GLU A 56 36.194 59.393 -34.143 1.00 0.00 H new ATOM 0 HG3 GLU A 56 36.117 58.458 -35.623 1.00 0.00 H new ATOM 923 N ALA A 57 40.528 57.542 -33.835 1.00 0.00 N ATOM 924 CA ALA A 57 41.973 57.205 -33.640 1.00 0.00 C ATOM 925 C ALA A 57 42.759 58.471 -33.271 1.00 0.00 C ATOM 926 O ALA A 57 43.637 58.440 -32.431 1.00 0.00 O ATOM 927 CB ALA A 57 42.546 56.606 -34.922 1.00 0.00 C ATOM 0 H ALA A 57 40.080 57.116 -34.646 1.00 0.00 H new ATOM 0 HA ALA A 57 42.060 56.478 -32.833 1.00 0.00 H new ATOM 0 HB1 ALA A 57 43.598 56.364 -34.772 1.00 0.00 H new ATOM 0 HB2 ALA A 57 41.997 55.699 -35.177 1.00 0.00 H new ATOM 0 HB3 ALA A 57 42.452 57.327 -35.734 1.00 0.00 H new ATOM 933 N GLU A 58 42.445 59.581 -33.887 1.00 0.00 N ATOM 934 CA GLU A 58 43.166 60.854 -33.570 1.00 0.00 C ATOM 935 C GLU A 58 44.661 60.576 -33.389 1.00 0.00 C ATOM 936 O GLU A 58 45.166 59.698 -34.066 1.00 0.00 O ATOM 937 CB GLU A 58 42.593 61.456 -32.284 1.00 0.00 C ATOM 938 CG GLU A 58 42.980 60.587 -31.084 1.00 0.00 C ATOM 939 CD GLU A 58 42.592 61.303 -29.789 1.00 0.00 C ATOM 940 OE1 GLU A 58 41.404 61.455 -29.552 1.00 0.00 O ATOM 941 OE2 GLU A 58 43.488 61.690 -29.057 1.00 0.00 O ATOM 942 OXT GLU A 58 45.275 61.250 -32.579 1.00 0.00 O ATOM 0 H GLU A 58 41.718 59.663 -34.598 1.00 0.00 H new ATOM 0 HA GLU A 58 43.033 61.558 -34.392 1.00 0.00 H new ATOM 0 HB2 GLU A 58 42.970 62.469 -32.147 1.00 0.00 H new ATOM 0 HB3 GLU A 58 41.508 61.527 -32.358 1.00 0.00 H new ATOM 0 HG2 GLU A 58 42.477 59.622 -31.143 1.00 0.00 H new ATOM 0 HG3 GLU A 58 44.052 60.389 -31.095 1.00 0.00 H new TER 949 GLU A 58