USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 ASN : amide:sc= -5.6! C(o=-5.7!,f=-2.2!) USER MOD Set 1.2: A 56 THR OG1 : rot 180:sc= -0.0868 USER MOD Set 2.1: A 45 SER OG : rot 100:sc= 1.07 USER MOD Set 2.2: A 50 LYS NZ :NH3+ 157:sc= 1.45 (180deg=0.0972) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -116:sc= -0.129 (180deg=-0.226) USER MOD Single : A 4 ASN : amide:sc= -2.59 K(o=-2.6,f=-6.4!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -124:sc= 0.375 (180deg=-2.97!) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.0587 USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= -0.511 (180deg=-1.14) USER MOD Single : A 19 ASN : amide:sc= -2.06! C(o=-2.1!,f=-8.6!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -143:sc= -0.2 (180deg=-0.737) USER MOD Single : A 24 MET CE :methyl -166:sc= -4.75! (180deg=-5.72!) USER MOD Single : A 26 MET CE :methyl -151:sc= -3.67! (180deg=-5.9!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 142:sc= -1.49! (180deg=-3!) USER MOD Single : A 44 LYS NZ :NH3+ -128:sc= 0 (180deg=-0.0945) USER MOD Single : A 46 SER OG : rot 180:sc= -0.238 USER MOD Single : A 51 TYR OH : rot 162:sc= 0.991 USER MOD Single : A 60 ASN : amide:sc= -10.5! C(o=-10!,f=-19!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 65.960 45.564 -24.196 1.00 1.26 N ATOM 2 CA LEU A 1 65.870 45.704 -25.677 1.00 0.65 C ATOM 3 C LEU A 1 64.404 45.748 -26.113 1.00 0.58 C ATOM 4 O LEU A 1 63.604 44.925 -25.709 1.00 0.77 O ATOM 5 CB LEU A 1 66.559 44.461 -26.233 1.00 1.19 C ATOM 6 CG LEU A 1 67.526 44.873 -27.344 1.00 1.07 C ATOM 7 CD1 LEU A 1 66.770 45.674 -28.411 1.00 1.38 C ATOM 8 CD2 LEU A 1 68.638 45.740 -26.751 1.00 1.53 C ATOM 0 H1 LEU A 1 66.960 45.535 -23.910 1.00 1.26 H new ATOM 0 H2 LEU A 1 65.493 46.375 -23.742 1.00 1.26 H new ATOM 0 H3 LEU A 1 65.490 44.684 -23.901 1.00 1.26 H new ATOM 0 HA LEU A 1 66.336 46.622 -26.036 1.00 0.65 H new ATOM 0 HB2 LEU A 1 67.098 43.944 -25.439 1.00 1.19 H new ATOM 0 HB3 LEU A 1 65.817 43.763 -26.621 1.00 1.19 H new ATOM 0 HG LEU A 1 67.959 43.982 -27.799 1.00 1.07 H new ATOM 0 HD11 LEU A 1 67.460 45.967 -29.202 1.00 1.38 H new ATOM 0 HD12 LEU A 1 65.975 45.059 -28.832 1.00 1.38 H new ATOM 0 HD13 LEU A 1 66.337 46.566 -27.958 1.00 1.38 H new ATOM 0 HD21 LEU A 1 69.329 46.035 -27.540 1.00 1.53 H new ATOM 0 HD22 LEU A 1 68.203 46.631 -26.298 1.00 1.53 H new ATOM 0 HD23 LEU A 1 69.176 45.173 -25.991 1.00 1.53 H new ATOM 22 N LYS A 2 64.042 46.700 -26.930 1.00 0.45 N ATOM 23 CA LYS A 2 62.624 46.788 -27.378 1.00 0.53 C ATOM 24 C LYS A 2 62.552 47.203 -28.845 1.00 0.43 C ATOM 25 O LYS A 2 63.198 48.140 -29.267 1.00 0.59 O ATOM 26 CB LYS A 2 62.001 47.871 -26.495 1.00 0.71 C ATOM 27 CG LYS A 2 61.592 47.266 -25.151 1.00 1.14 C ATOM 28 CD LYS A 2 62.661 47.582 -24.102 1.00 1.23 C ATOM 29 CE LYS A 2 62.260 48.841 -23.328 1.00 1.98 C ATOM 30 NZ LYS A 2 63.135 49.923 -23.863 1.00 2.63 N ATOM 0 H LYS A 2 64.664 47.417 -27.305 1.00 0.45 H new ATOM 0 HA LYS A 2 62.107 45.832 -27.292 1.00 0.53 H new ATOM 0 HB2 LYS A 2 62.713 48.681 -26.339 1.00 0.71 H new ATOM 0 HB3 LYS A 2 61.131 48.303 -26.991 1.00 0.71 H new ATOM 0 HG2 LYS A 2 60.629 47.669 -24.837 1.00 1.14 H new ATOM 0 HG3 LYS A 2 61.470 46.187 -25.248 1.00 1.14 H new ATOM 0 HD2 LYS A 2 62.773 46.741 -23.417 1.00 1.23 H new ATOM 0 HD3 LYS A 2 63.627 47.731 -24.585 1.00 1.23 H new ATOM 0 HE2 LYS A 2 61.206 49.076 -23.478 1.00 1.98 H new ATOM 0 HE3 LYS A 2 62.408 48.708 -22.256 1.00 1.98 H new ATOM 0 HZ1 LYS A 2 63.758 50.271 -23.107 1.00 2.63 H new ATOM 0 HZ2 LYS A 2 63.713 49.549 -24.643 1.00 2.63 H new ATOM 0 HZ3 LYS A 2 62.545 50.705 -24.213 1.00 2.63 H new ATOM 44 N CYS A 3 61.762 46.519 -29.625 1.00 0.40 N ATOM 45 CA CYS A 3 61.644 46.894 -31.067 1.00 0.40 C ATOM 46 C CYS A 3 60.203 47.296 -31.378 1.00 0.40 C ATOM 47 O CYS A 3 59.264 46.713 -30.875 1.00 0.44 O ATOM 48 CB CYS A 3 62.039 45.644 -31.848 1.00 0.54 C ATOM 49 SG CYS A 3 63.840 45.572 -32.000 1.00 0.68 S ATOM 0 H CYS A 3 61.196 45.722 -29.332 1.00 0.40 H new ATOM 0 HA CYS A 3 62.279 47.740 -31.329 1.00 0.40 H new ATOM 0 HB2 CYS A 3 61.670 44.753 -31.340 1.00 0.54 H new ATOM 0 HB3 CYS A 3 61.580 45.660 -32.837 1.00 0.54 H new ATOM 54 N ASN A 4 60.018 48.293 -32.195 1.00 0.43 N ATOM 55 CA ASN A 4 58.635 48.733 -32.523 1.00 0.49 C ATOM 56 C ASN A 4 57.761 47.522 -32.863 1.00 0.49 C ATOM 57 O ASN A 4 58.210 46.568 -33.469 1.00 0.55 O ATOM 58 CB ASN A 4 58.795 49.658 -33.733 1.00 0.60 C ATOM 59 CG ASN A 4 57.443 50.260 -34.110 1.00 0.99 C ATOM 60 OD1 ASN A 4 56.470 49.552 -34.271 1.00 1.93 O ATOM 61 ND2 ASN A 4 57.347 51.550 -34.265 1.00 1.09 N ATOM 0 H ASN A 4 60.763 48.822 -32.649 1.00 0.43 H new ATOM 0 HA ASN A 4 58.148 49.240 -31.690 1.00 0.49 H new ATOM 0 HB2 ASN A 4 59.505 50.452 -33.503 1.00 0.60 H new ATOM 0 HB3 ASN A 4 59.202 49.101 -34.576 1.00 0.60 H new ATOM 0 HD21 ASN A 4 56.453 51.968 -34.522 1.00 1.09 H new ATOM 0 HD22 ASN A 4 58.166 52.142 -34.129 1.00 1.09 H new ATOM 68 N LYS A 5 56.514 47.552 -32.474 1.00 0.52 N ATOM 69 CA LYS A 5 55.612 46.407 -32.765 1.00 0.60 C ATOM 70 C LYS A 5 54.918 46.618 -34.112 1.00 0.71 C ATOM 71 O LYS A 5 55.003 47.672 -34.710 1.00 1.48 O ATOM 72 CB LYS A 5 54.584 46.426 -31.635 1.00 0.68 C ATOM 73 CG LYS A 5 54.806 45.228 -30.714 1.00 1.03 C ATOM 74 CD LYS A 5 53.782 44.142 -31.056 1.00 1.48 C ATOM 75 CE LYS A 5 53.892 42.987 -30.059 1.00 1.84 C ATOM 76 NZ LYS A 5 53.870 41.756 -30.898 1.00 2.49 N ATOM 0 H LYS A 5 56.083 48.324 -31.966 1.00 0.52 H new ATOM 0 HA LYS A 5 56.147 45.459 -32.822 1.00 0.60 H new ATOM 0 HB2 LYS A 5 54.670 47.353 -31.068 1.00 0.68 H new ATOM 0 HB3 LYS A 5 53.576 46.397 -32.048 1.00 0.68 H new ATOM 0 HG2 LYS A 5 55.818 44.843 -30.834 1.00 1.03 H new ATOM 0 HG3 LYS A 5 54.702 45.530 -29.672 1.00 1.03 H new ATOM 0 HD2 LYS A 5 52.775 44.559 -31.032 1.00 1.48 H new ATOM 0 HD3 LYS A 5 53.952 43.777 -32.069 1.00 1.48 H new ATOM 0 HE2 LYS A 5 54.812 43.053 -29.477 1.00 1.84 H new ATOM 0 HE3 LYS A 5 53.065 42.997 -29.349 1.00 1.84 H new ATOM 0 HZ1 LYS A 5 53.942 40.918 -30.287 1.00 2.49 H new ATOM 0 HZ2 LYS A 5 52.980 41.718 -31.435 1.00 2.49 H new ATOM 0 HZ3 LYS A 5 54.673 41.772 -31.559 1.00 2.49 H new ATOM 90 N LEU A 6 54.236 45.622 -34.593 1.00 0.53 N ATOM 91 CA LEU A 6 53.536 45.759 -35.900 1.00 0.57 C ATOM 92 C LEU A 6 52.721 47.052 -35.941 1.00 0.62 C ATOM 93 O LEU A 6 52.480 47.608 -36.994 1.00 0.72 O ATOM 94 CB LEU A 6 52.626 44.540 -35.976 1.00 0.59 C ATOM 95 CG LEU A 6 52.864 43.808 -37.289 1.00 0.70 C ATOM 96 CD1 LEU A 6 51.889 42.636 -37.403 1.00 1.22 C ATOM 97 CD2 LEU A 6 52.643 44.765 -38.464 1.00 0.78 C ATOM 0 H LEU A 6 54.131 44.715 -34.138 1.00 0.53 H new ATOM 0 HA LEU A 6 54.229 45.808 -36.740 1.00 0.57 H new ATOM 0 HB2 LEU A 6 52.822 43.874 -35.136 1.00 0.59 H new ATOM 0 HB3 LEU A 6 51.583 44.847 -35.903 1.00 0.59 H new ATOM 0 HG LEU A 6 53.889 43.438 -37.312 1.00 0.70 H new ATOM 0 HD11 LEU A 6 52.059 42.111 -38.343 1.00 1.22 H new ATOM 0 HD12 LEU A 6 52.046 41.950 -36.571 1.00 1.22 H new ATOM 0 HD13 LEU A 6 50.866 43.010 -37.376 1.00 1.22 H new ATOM 0 HD21 LEU A 6 52.815 44.236 -39.401 1.00 0.78 H new ATOM 0 HD22 LEU A 6 51.620 45.139 -38.441 1.00 0.78 H new ATOM 0 HD23 LEU A 6 53.337 45.602 -38.387 1.00 0.78 H new ATOM 109 N VAL A 7 52.298 47.545 -34.810 1.00 0.61 N ATOM 110 CA VAL A 7 51.508 48.810 -34.820 1.00 0.71 C ATOM 111 C VAL A 7 52.410 50.001 -34.463 1.00 0.70 C ATOM 112 O VAL A 7 53.190 49.925 -33.535 1.00 0.62 O ATOM 113 CB VAL A 7 50.435 48.628 -33.761 1.00 0.73 C ATOM 114 CG1 VAL A 7 49.417 49.765 -33.869 1.00 0.93 C ATOM 115 CG2 VAL A 7 49.732 47.287 -33.978 1.00 0.79 C ATOM 0 H VAL A 7 52.462 47.134 -33.891 1.00 0.61 H new ATOM 0 HA VAL A 7 51.078 49.012 -35.801 1.00 0.71 H new ATOM 0 HB VAL A 7 50.890 48.643 -32.771 1.00 0.73 H new ATOM 0 HG11 VAL A 7 48.646 49.636 -33.110 1.00 0.93 H new ATOM 0 HG12 VAL A 7 49.920 50.720 -33.717 1.00 0.93 H new ATOM 0 HG13 VAL A 7 48.959 49.750 -34.858 1.00 0.93 H new ATOM 0 HG21 VAL A 7 48.961 47.153 -33.219 1.00 0.79 H new ATOM 0 HG22 VAL A 7 49.274 47.272 -34.967 1.00 0.79 H new ATOM 0 HG23 VAL A 7 50.459 46.479 -33.903 1.00 0.79 H new ATOM 125 N PRO A 8 52.280 51.067 -35.211 1.00 0.84 N ATOM 126 CA PRO A 8 53.102 52.277 -34.971 1.00 0.91 C ATOM 127 C PRO A 8 52.705 52.963 -33.661 1.00 0.92 C ATOM 128 O PRO A 8 52.433 54.145 -33.640 1.00 1.21 O ATOM 129 CB PRO A 8 52.746 53.162 -36.171 1.00 1.09 C ATOM 130 CG PRO A 8 51.719 52.419 -37.048 1.00 1.12 C ATOM 131 CD PRO A 8 51.321 51.121 -36.338 1.00 0.97 C ATOM 0 HA PRO A 8 54.167 52.064 -34.880 1.00 0.91 H new ATOM 0 HB2 PRO A 8 52.334 54.112 -35.830 1.00 1.09 H new ATOM 0 HB3 PRO A 8 53.641 53.391 -36.750 1.00 1.09 H new ATOM 0 HG2 PRO A 8 50.841 53.044 -37.215 1.00 1.12 H new ATOM 0 HG3 PRO A 8 52.145 52.200 -38.027 1.00 1.12 H new ATOM 0 HD2 PRO A 8 50.288 51.148 -35.991 1.00 0.97 H new ATOM 0 HD3 PRO A 8 51.415 50.255 -36.993 1.00 0.97 H new ATOM 139 N LEU A 9 52.677 52.241 -32.569 1.00 0.78 N ATOM 140 CA LEU A 9 52.297 52.866 -31.270 1.00 0.82 C ATOM 141 C LEU A 9 53.009 52.163 -30.114 1.00 0.72 C ATOM 142 O LEU A 9 53.585 52.796 -29.250 1.00 0.84 O ATOM 143 CB LEU A 9 50.783 52.668 -31.160 1.00 0.87 C ATOM 144 CG LEU A 9 50.085 54.031 -31.155 1.00 1.12 C ATOM 145 CD1 LEU A 9 50.754 54.940 -30.121 1.00 1.82 C ATOM 146 CD2 LEU A 9 50.195 54.668 -32.539 1.00 1.60 C ATOM 0 H LEU A 9 52.901 51.247 -32.523 1.00 0.78 H new ATOM 0 HA LEU A 9 52.577 53.918 -31.225 1.00 0.82 H new ATOM 0 HB2 LEU A 9 50.423 52.067 -31.995 1.00 0.87 H new ATOM 0 HB3 LEU A 9 50.543 52.122 -30.248 1.00 0.87 H new ATOM 0 HG LEU A 9 49.033 53.899 -30.900 1.00 1.12 H new ATOM 0 HD11 LEU A 9 50.259 55.911 -30.116 1.00 1.82 H new ATOM 0 HD12 LEU A 9 50.675 54.487 -29.133 1.00 1.82 H new ATOM 0 HD13 LEU A 9 51.805 55.070 -30.377 1.00 1.82 H new ATOM 0 HD21 LEU A 9 49.698 55.638 -32.534 1.00 1.60 H new ATOM 0 HD22 LEU A 9 51.246 54.800 -32.796 1.00 1.60 H new ATOM 0 HD23 LEU A 9 49.720 54.021 -33.276 1.00 1.60 H new ATOM 158 N PHE A 10 52.971 50.858 -30.091 1.00 0.57 N ATOM 159 CA PHE A 10 53.646 50.107 -28.986 1.00 0.55 C ATOM 160 C PHE A 10 54.779 49.251 -29.554 1.00 0.49 C ATOM 161 O PHE A 10 55.106 49.335 -30.718 1.00 0.52 O ATOM 162 CB PHE A 10 52.572 49.210 -28.338 1.00 0.62 C ATOM 163 CG PHE A 10 51.396 49.014 -29.274 1.00 0.64 C ATOM 164 CD1 PHE A 10 50.428 50.017 -29.392 1.00 0.75 C ATOM 165 CD2 PHE A 10 51.273 47.834 -30.018 1.00 0.77 C ATOM 166 CE1 PHE A 10 49.337 49.845 -30.250 1.00 0.89 C ATOM 167 CE2 PHE A 10 50.182 47.661 -30.877 1.00 0.92 C ATOM 168 CZ PHE A 10 49.213 48.669 -30.993 1.00 0.94 C ATOM 0 H PHE A 10 52.503 50.278 -30.787 1.00 0.57 H new ATOM 0 HA PHE A 10 54.079 50.788 -28.253 1.00 0.55 H new ATOM 0 HB2 PHE A 10 53.005 48.243 -28.084 1.00 0.62 H new ATOM 0 HB3 PHE A 10 52.230 49.661 -27.406 1.00 0.62 H new ATOM 0 HD1 PHE A 10 50.523 50.927 -28.819 1.00 0.75 H new ATOM 0 HD2 PHE A 10 52.019 47.058 -29.929 1.00 0.77 H new ATOM 0 HE1 PHE A 10 48.591 50.621 -30.338 1.00 0.89 H new ATOM 0 HE2 PHE A 10 50.086 46.751 -31.451 1.00 0.92 H new ATOM 0 HZ PHE A 10 48.371 48.536 -31.657 1.00 0.94 H new ATOM 178 N TYR A 11 55.380 48.427 -28.738 1.00 0.47 N ATOM 179 CA TYR A 11 56.487 47.560 -29.235 1.00 0.44 C ATOM 180 C TYR A 11 56.530 46.253 -28.443 1.00 0.49 C ATOM 181 O TYR A 11 55.591 45.887 -27.765 1.00 0.62 O ATOM 182 CB TYR A 11 57.772 48.368 -29.007 1.00 0.42 C ATOM 183 CG TYR A 11 57.804 48.940 -27.601 1.00 0.44 C ATOM 184 CD1 TYR A 11 57.685 48.102 -26.478 1.00 0.70 C ATOM 185 CD2 TYR A 11 57.966 50.321 -27.420 1.00 0.69 C ATOM 186 CE1 TYR A 11 57.727 48.647 -25.188 1.00 0.76 C ATOM 187 CE2 TYR A 11 58.007 50.861 -26.129 1.00 0.80 C ATOM 188 CZ TYR A 11 57.887 50.024 -25.015 1.00 0.67 C ATOM 189 OH TYR A 11 57.926 50.560 -23.743 1.00 0.83 O ATOM 0 H TYR A 11 55.152 48.317 -27.750 1.00 0.47 H new ATOM 0 HA TYR A 11 56.358 47.295 -30.284 1.00 0.44 H new ATOM 0 HB2 TYR A 11 58.642 47.730 -29.165 1.00 0.42 H new ATOM 0 HB3 TYR A 11 57.833 49.177 -29.735 1.00 0.42 H new ATOM 0 HD1 TYR A 11 57.561 47.037 -26.610 1.00 0.70 H new ATOM 0 HD2 TYR A 11 58.059 50.970 -28.278 1.00 0.69 H new ATOM 0 HE1 TYR A 11 57.636 48.002 -24.327 1.00 0.76 H new ATOM 0 HE2 TYR A 11 58.131 51.925 -25.993 1.00 0.80 H new ATOM 0 HH TYR A 11 58.043 51.531 -23.801 1.00 0.83 H new ATOM 199 N LYS A 12 57.637 45.573 -28.500 1.00 0.50 N ATOM 200 CA LYS A 12 57.796 44.313 -27.727 1.00 0.59 C ATOM 201 C LYS A 12 59.217 44.273 -27.175 1.00 0.49 C ATOM 202 O LYS A 12 60.026 45.127 -27.481 1.00 0.49 O ATOM 203 CB LYS A 12 57.557 43.172 -28.717 1.00 0.74 C ATOM 204 CG LYS A 12 56.769 42.062 -28.017 1.00 1.20 C ATOM 205 CD LYS A 12 57.106 40.708 -28.647 1.00 1.50 C ATOM 206 CE LYS A 12 58.419 40.183 -28.058 1.00 1.68 C ATOM 207 NZ LYS A 12 59.473 40.535 -29.056 1.00 2.19 N ATOM 0 H LYS A 12 58.449 45.840 -29.056 1.00 0.50 H new ATOM 0 HA LYS A 12 57.101 44.235 -26.891 1.00 0.59 H new ATOM 0 HB2 LYS A 12 57.006 43.535 -29.584 1.00 0.74 H new ATOM 0 HB3 LYS A 12 58.508 42.785 -29.083 1.00 0.74 H new ATOM 0 HG2 LYS A 12 57.009 42.048 -26.954 1.00 1.20 H new ATOM 0 HG3 LYS A 12 55.699 42.255 -28.100 1.00 1.20 H new ATOM 0 HD2 LYS A 12 56.301 39.997 -28.460 1.00 1.50 H new ATOM 0 HD3 LYS A 12 57.195 40.810 -29.728 1.00 1.50 H new ATOM 0 HE2 LYS A 12 58.626 40.641 -27.091 1.00 1.68 H new ATOM 0 HE3 LYS A 12 58.374 39.106 -27.898 1.00 1.68 H new ATOM 0 HZ1 LYS A 12 59.982 39.674 -29.342 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 59.030 40.969 -29.891 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 60.143 41.208 -28.631 1.00 2.19 H new ATOM 221 N THR A 13 59.537 43.313 -26.361 1.00 0.64 N ATOM 222 CA THR A 13 60.914 43.273 -25.805 1.00 0.62 C ATOM 223 C THR A 13 61.783 42.293 -26.589 1.00 0.66 C ATOM 224 O THR A 13 61.301 41.515 -27.388 1.00 0.75 O ATOM 225 CB THR A 13 60.760 42.809 -24.356 1.00 0.70 C ATOM 226 OG1 THR A 13 59.384 42.615 -24.061 1.00 1.06 O ATOM 227 CG2 THR A 13 61.337 43.866 -23.415 1.00 1.08 C ATOM 0 H THR A 13 58.915 42.563 -26.059 1.00 0.64 H new ATOM 0 HA THR A 13 61.400 44.247 -25.868 1.00 0.62 H new ATOM 0 HB THR A 13 61.296 41.870 -24.220 1.00 0.70 H new ATOM 0 HG1 THR A 13 59.287 42.316 -23.133 1.00 1.06 H new ATOM 0 HG21 THR A 13 61.226 43.534 -22.383 1.00 1.08 H new ATOM 0 HG22 THR A 13 62.394 44.013 -23.637 1.00 1.08 H new ATOM 0 HG23 THR A 13 60.803 44.806 -23.553 1.00 1.08 H new ATOM 235 N CYS A 14 63.066 42.333 -26.368 1.00 0.65 N ATOM 236 CA CYS A 14 63.978 41.411 -27.102 1.00 0.76 C ATOM 237 C CYS A 14 65.135 41.003 -26.190 1.00 0.87 C ATOM 238 O CYS A 14 65.591 41.790 -25.382 1.00 0.99 O ATOM 239 CB CYS A 14 64.507 42.202 -28.313 1.00 0.75 C ATOM 240 SG CYS A 14 63.291 43.431 -28.872 1.00 1.34 S ATOM 0 H CYS A 14 63.524 42.964 -25.711 1.00 0.65 H new ATOM 0 HA CYS A 14 63.466 40.503 -27.420 1.00 0.76 H new ATOM 0 HB2 CYS A 14 65.438 42.702 -28.046 1.00 0.75 H new ATOM 0 HB3 CYS A 14 64.736 41.515 -29.128 1.00 0.75 H new ATOM 245 N PRO A 15 65.578 39.782 -26.341 1.00 1.06 N ATOM 246 CA PRO A 15 66.689 39.276 -25.510 1.00 1.31 C ATOM 247 C PRO A 15 67.967 40.077 -25.791 1.00 1.16 C ATOM 248 O PRO A 15 68.023 40.873 -26.708 1.00 1.40 O ATOM 249 CB PRO A 15 66.826 37.828 -25.984 1.00 1.54 C ATOM 250 CG PRO A 15 65.794 37.565 -27.095 1.00 1.54 C ATOM 251 CD PRO A 15 64.993 38.848 -27.334 1.00 1.24 C ATOM 0 HA PRO A 15 66.516 39.359 -24.437 1.00 1.31 H new ATOM 0 HB2 PRO A 15 67.834 37.648 -26.356 1.00 1.54 H new ATOM 0 HB3 PRO A 15 66.666 37.143 -25.152 1.00 1.54 H new ATOM 0 HG2 PRO A 15 66.296 37.257 -28.012 1.00 1.54 H new ATOM 0 HG3 PRO A 15 65.128 36.752 -26.807 1.00 1.54 H new ATOM 0 HD2 PRO A 15 65.109 39.215 -28.354 1.00 1.24 H new ATOM 0 HD3 PRO A 15 63.926 38.697 -27.169 1.00 1.24 H new ATOM 259 N ALA A 16 68.990 39.878 -25.003 1.00 1.32 N ATOM 260 CA ALA A 16 70.260 40.635 -25.217 1.00 1.21 C ATOM 261 C ALA A 16 70.908 40.255 -26.554 1.00 0.92 C ATOM 262 O ALA A 16 70.790 39.138 -27.018 1.00 1.02 O ATOM 263 CB ALA A 16 71.162 40.222 -24.056 1.00 1.58 C ATOM 0 H ALA A 16 69.002 39.224 -24.220 1.00 1.32 H new ATOM 0 HA ALA A 16 70.089 41.711 -25.250 1.00 1.21 H new ATOM 0 HB1 ALA A 16 72.120 40.736 -24.139 1.00 1.58 H new ATOM 0 HB2 ALA A 16 70.687 40.490 -23.113 1.00 1.58 H new ATOM 0 HB3 ALA A 16 71.324 39.145 -24.087 1.00 1.58 H new ATOM 269 N GLY A 17 71.604 41.179 -27.170 1.00 0.84 N ATOM 270 CA GLY A 17 72.272 40.878 -28.467 1.00 0.75 C ATOM 271 C GLY A 17 71.364 41.285 -29.628 1.00 0.63 C ATOM 272 O GLY A 17 71.821 41.562 -30.720 1.00 0.83 O ATOM 0 H GLY A 17 71.737 42.130 -26.827 1.00 0.84 H new ATOM 0 HA2 GLY A 17 73.220 41.413 -28.530 1.00 0.75 H new ATOM 0 HA3 GLY A 17 72.502 39.814 -28.529 1.00 0.75 H new ATOM 276 N LYS A 18 70.080 41.322 -29.407 1.00 0.60 N ATOM 277 CA LYS A 18 69.152 41.708 -30.504 1.00 0.58 C ATOM 278 C LYS A 18 68.771 43.181 -30.385 1.00 0.59 C ATOM 279 O LYS A 18 67.779 43.524 -29.780 1.00 0.88 O ATOM 280 CB LYS A 18 67.923 40.825 -30.313 1.00 0.71 C ATOM 281 CG LYS A 18 66.995 40.980 -31.516 1.00 1.60 C ATOM 282 CD LYS A 18 66.653 39.599 -32.071 1.00 2.39 C ATOM 283 CE LYS A 18 65.600 38.940 -31.178 1.00 2.98 C ATOM 284 NZ LYS A 18 66.320 37.844 -30.472 1.00 3.59 N ATOM 0 H LYS A 18 69.634 41.102 -28.516 1.00 0.60 H new ATOM 0 HA LYS A 18 69.603 41.575 -31.487 1.00 0.58 H new ATOM 0 HB2 LYS A 18 68.224 39.783 -30.204 1.00 0.71 H new ATOM 0 HB3 LYS A 18 67.400 41.104 -29.398 1.00 0.71 H new ATOM 0 HG2 LYS A 18 66.084 41.502 -31.222 1.00 1.60 H new ATOM 0 HG3 LYS A 18 67.476 41.585 -32.285 1.00 1.60 H new ATOM 0 HD2 LYS A 18 66.278 39.687 -33.091 1.00 2.39 H new ATOM 0 HD3 LYS A 18 67.549 38.980 -32.114 1.00 2.39 H new ATOM 0 HE2 LYS A 18 65.180 39.655 -30.471 1.00 2.98 H new ATOM 0 HE3 LYS A 18 64.771 38.550 -31.768 1.00 2.98 H new ATOM 0 HZ1 LYS A 18 65.630 37.176 -30.073 1.00 3.59 H new ATOM 0 HZ2 LYS A 18 66.937 37.345 -31.144 1.00 3.59 H new ATOM 0 HZ3 LYS A 18 66.897 38.245 -29.705 1.00 3.59 H new ATOM 298 N ASN A 19 69.530 44.052 -30.984 1.00 0.40 N ATOM 299 CA ASN A 19 69.186 45.487 -30.926 1.00 0.50 C ATOM 300 C ASN A 19 68.543 45.870 -32.251 1.00 0.47 C ATOM 301 O ASN A 19 68.175 47.006 -32.476 1.00 0.60 O ATOM 302 CB ASN A 19 70.517 46.218 -30.722 1.00 0.65 C ATOM 303 CG ASN A 19 71.298 46.255 -32.038 1.00 1.16 C ATOM 304 OD1 ASN A 19 70.993 45.522 -32.959 1.00 1.93 O ATOM 305 ND2 ASN A 19 72.292 47.090 -32.169 1.00 1.75 N ATOM 0 H ASN A 19 70.374 43.827 -31.511 1.00 0.40 H new ATOM 0 HA ASN A 19 68.488 45.737 -30.127 1.00 0.50 H new ATOM 0 HB2 ASN A 19 70.334 47.233 -30.369 1.00 0.65 H new ATOM 0 HB3 ASN A 19 71.105 45.714 -29.954 1.00 0.65 H new ATOM 0 HD21 ASN A 19 72.814 47.128 -33.045 1.00 1.75 H new ATOM 0 HD22 ASN A 19 72.547 47.705 -31.396 1.00 1.75 H new ATOM 312 N LEU A 20 68.405 44.917 -33.133 1.00 0.40 N ATOM 313 CA LEU A 20 67.792 45.213 -34.435 1.00 0.48 C ATOM 314 C LEU A 20 66.306 44.926 -34.381 1.00 0.38 C ATOM 315 O LEU A 20 65.820 44.239 -33.506 1.00 0.56 O ATOM 316 CB LEU A 20 68.457 44.259 -35.422 1.00 0.64 C ATOM 317 CG LEU A 20 69.036 45.048 -36.594 1.00 0.77 C ATOM 318 CD1 LEU A 20 70.549 44.885 -36.643 1.00 1.13 C ATOM 319 CD2 LEU A 20 68.433 44.533 -37.896 1.00 1.34 C ATOM 0 H LEU A 20 68.694 43.948 -32.997 1.00 0.40 H new ATOM 0 HA LEU A 20 67.924 46.258 -34.717 1.00 0.48 H new ATOM 0 HB2 LEU A 20 69.248 43.698 -34.923 1.00 0.64 H new ATOM 0 HB3 LEU A 20 67.731 43.532 -35.785 1.00 0.64 H new ATOM 0 HG LEU A 20 68.796 46.103 -36.464 1.00 0.77 H new ATOM 0 HD11 LEU A 20 70.949 45.453 -37.483 1.00 1.13 H new ATOM 0 HD12 LEU A 20 70.985 45.255 -35.715 1.00 1.13 H new ATOM 0 HD13 LEU A 20 70.798 43.831 -36.766 1.00 1.13 H new ATOM 0 HD21 LEU A 20 68.845 45.095 -38.735 1.00 1.34 H new ATOM 0 HD22 LEU A 20 68.672 43.476 -38.015 1.00 1.34 H new ATOM 0 HD23 LEU A 20 67.351 44.660 -37.871 1.00 1.34 H new ATOM 331 N CYS A 21 65.591 45.416 -35.334 1.00 0.29 N ATOM 332 CA CYS A 21 64.140 45.148 -35.383 1.00 0.31 C ATOM 333 C CYS A 21 63.787 44.820 -36.824 1.00 0.32 C ATOM 334 O CYS A 21 64.418 45.295 -37.747 1.00 0.49 O ATOM 335 CB CYS A 21 63.464 46.423 -34.891 1.00 0.44 C ATOM 336 SG CYS A 21 64.277 46.989 -33.373 1.00 0.57 S ATOM 0 H CYS A 21 65.950 45.997 -36.091 1.00 0.29 H new ATOM 0 HA CYS A 21 63.819 44.310 -34.764 1.00 0.31 H new ATOM 0 HB2 CYS A 21 63.521 47.196 -35.657 1.00 0.44 H new ATOM 0 HB3 CYS A 21 62.407 46.238 -34.703 1.00 0.44 H new ATOM 341 N TYR A 22 62.828 43.976 -37.037 1.00 0.30 N ATOM 342 CA TYR A 22 62.507 43.595 -38.432 1.00 0.31 C ATOM 343 C TYR A 22 61.011 43.685 -38.716 1.00 0.31 C ATOM 344 O TYR A 22 60.186 43.566 -37.831 1.00 0.41 O ATOM 345 CB TYR A 22 62.992 42.153 -38.548 1.00 0.36 C ATOM 346 CG TYR A 22 62.027 41.225 -37.843 1.00 0.38 C ATOM 347 CD1 TYR A 22 61.943 41.207 -36.442 1.00 0.47 C ATOM 348 CD2 TYR A 22 61.219 40.377 -38.601 1.00 0.54 C ATOM 349 CE1 TYR A 22 61.049 40.336 -35.808 1.00 0.52 C ATOM 350 CE2 TYR A 22 60.323 39.507 -37.966 1.00 0.63 C ATOM 351 CZ TYR A 22 60.239 39.488 -36.569 1.00 0.55 C ATOM 352 OH TYR A 22 59.363 38.629 -35.941 1.00 0.66 O ATOM 0 H TYR A 22 62.257 43.536 -36.315 1.00 0.30 H new ATOM 0 HA TYR A 22 62.980 44.262 -39.153 1.00 0.31 H new ATOM 0 HB2 TYR A 22 63.078 41.873 -39.598 1.00 0.36 H new ATOM 0 HB3 TYR A 22 63.986 42.058 -38.111 1.00 0.36 H new ATOM 0 HD1 TYR A 22 62.567 41.864 -35.854 1.00 0.47 H new ATOM 0 HD2 TYR A 22 61.284 40.391 -39.679 1.00 0.54 H new ATOM 0 HE1 TYR A 22 60.985 40.319 -34.730 1.00 0.52 H new ATOM 0 HE2 TYR A 22 59.698 38.852 -38.554 1.00 0.63 H new ATOM 0 HH TYR A 22 58.874 38.110 -36.614 1.00 0.66 H new ATOM 362 N LYS A 23 60.658 43.885 -39.953 1.00 0.39 N ATOM 363 CA LYS A 23 59.215 43.968 -40.301 1.00 0.44 C ATOM 364 C LYS A 23 58.962 43.311 -41.667 1.00 0.45 C ATOM 365 O LYS A 23 59.354 43.830 -42.687 1.00 0.54 O ATOM 366 CB LYS A 23 58.905 45.462 -40.352 1.00 0.56 C ATOM 367 CG LYS A 23 59.957 46.179 -41.201 1.00 1.11 C ATOM 368 CD LYS A 23 59.527 47.627 -41.430 1.00 1.49 C ATOM 369 CE LYS A 23 60.163 48.518 -40.363 1.00 1.72 C ATOM 370 NZ LYS A 23 60.824 49.614 -41.122 1.00 2.18 N ATOM 0 H LYS A 23 61.303 43.994 -40.735 1.00 0.39 H new ATOM 0 HA LYS A 23 58.583 43.449 -39.580 1.00 0.44 H new ATOM 0 HB2 LYS A 23 57.913 45.623 -40.773 1.00 0.56 H new ATOM 0 HB3 LYS A 23 58.894 45.876 -39.344 1.00 0.56 H new ATOM 0 HG2 LYS A 23 60.925 46.151 -40.700 1.00 1.11 H new ATOM 0 HG3 LYS A 23 60.078 45.669 -42.157 1.00 1.11 H new ATOM 0 HD2 LYS A 23 59.832 47.956 -42.424 1.00 1.49 H new ATOM 0 HD3 LYS A 23 58.441 47.707 -41.387 1.00 1.49 H new ATOM 0 HE2 LYS A 23 59.412 48.910 -39.677 1.00 1.72 H new ATOM 0 HE3 LYS A 23 60.884 47.963 -39.763 1.00 1.72 H new ATOM 0 HZ1 LYS A 23 61.718 49.869 -40.656 1.00 2.18 H new ATOM 0 HZ2 LYS A 23 61.018 49.296 -42.093 1.00 2.18 H new ATOM 0 HZ3 LYS A 23 60.198 50.444 -41.149 1.00 2.18 H new ATOM 384 N MET A 24 58.329 42.165 -41.699 1.00 0.47 N ATOM 385 CA MET A 24 58.096 41.483 -43.017 1.00 0.53 C ATOM 386 C MET A 24 56.679 41.701 -43.565 1.00 0.53 C ATOM 387 O MET A 24 55.702 41.549 -42.868 1.00 0.59 O ATOM 388 CB MET A 24 58.309 40.000 -42.740 1.00 0.63 C ATOM 389 CG MET A 24 58.103 39.225 -44.042 1.00 0.99 C ATOM 390 SD MET A 24 56.373 38.727 -44.182 1.00 1.69 S ATOM 391 CE MET A 24 56.330 37.711 -42.691 1.00 2.37 C ATOM 0 H MET A 24 57.966 41.674 -40.882 1.00 0.47 H new ATOM 0 HA MET A 24 58.771 41.888 -43.771 1.00 0.53 H new ATOM 0 HB2 MET A 24 59.313 39.828 -42.353 1.00 0.63 H new ATOM 0 HB3 MET A 24 57.610 39.653 -41.979 1.00 0.63 H new ATOM 0 HG2 MET A 24 58.384 39.844 -44.894 1.00 0.99 H new ATOM 0 HG3 MET A 24 58.748 38.346 -44.060 1.00 0.99 H new ATOM 0 HE1 MET A 24 55.431 37.095 -42.696 1.00 2.37 H new ATOM 0 HE2 MET A 24 57.210 37.068 -42.663 1.00 2.37 H new ATOM 0 HE3 MET A 24 56.324 38.355 -41.812 1.00 2.37 H new ATOM 401 N PHE A 25 56.582 42.016 -44.835 1.00 0.53 N ATOM 402 CA PHE A 25 55.241 42.207 -45.484 1.00 0.58 C ATOM 403 C PHE A 25 55.247 41.552 -46.858 1.00 0.50 C ATOM 404 O PHE A 25 56.211 40.927 -47.265 1.00 0.49 O ATOM 405 CB PHE A 25 55.031 43.718 -45.700 1.00 0.70 C ATOM 406 CG PHE A 25 56.355 44.440 -45.714 1.00 0.61 C ATOM 407 CD1 PHE A 25 57.297 44.133 -46.696 1.00 0.84 C ATOM 408 CD2 PHE A 25 56.641 45.411 -44.750 1.00 0.78 C ATOM 409 CE1 PHE A 25 58.523 44.794 -46.716 1.00 0.86 C ATOM 410 CE2 PHE A 25 57.870 46.074 -44.768 1.00 0.83 C ATOM 411 CZ PHE A 25 58.814 45.765 -45.753 1.00 0.70 C ATOM 0 H PHE A 25 57.380 42.150 -45.456 1.00 0.53 H new ATOM 0 HA PHE A 25 54.461 41.773 -44.858 1.00 0.58 H new ATOM 0 HB2 PHE A 25 54.508 43.887 -46.641 1.00 0.70 H new ATOM 0 HB3 PHE A 25 54.399 44.120 -44.908 1.00 0.70 H new ATOM 0 HD1 PHE A 25 57.076 43.383 -47.441 1.00 0.84 H new ATOM 0 HD2 PHE A 25 55.911 45.649 -43.991 1.00 0.78 H new ATOM 0 HE1 PHE A 25 59.251 44.556 -47.478 1.00 0.86 H new ATOM 0 HE2 PHE A 25 58.091 46.824 -44.023 1.00 0.83 H new ATOM 0 HZ PHE A 25 59.766 46.275 -45.770 1.00 0.70 H new ATOM 421 N MET A 26 54.194 41.743 -47.593 1.00 0.56 N ATOM 422 CA MET A 26 54.139 41.199 -48.968 1.00 0.61 C ATOM 423 C MET A 26 54.674 42.278 -49.912 1.00 0.69 C ATOM 424 O MET A 26 54.179 43.386 -49.929 1.00 1.30 O ATOM 425 CB MET A 26 52.657 40.924 -49.237 1.00 0.72 C ATOM 426 CG MET A 26 52.342 39.437 -49.018 1.00 0.91 C ATOM 427 SD MET A 26 53.459 38.413 -50.012 1.00 1.46 S ATOM 428 CE MET A 26 53.446 39.452 -51.490 1.00 1.96 C ATOM 0 H MET A 26 53.364 42.256 -47.297 1.00 0.56 H new ATOM 0 HA MET A 26 54.729 40.293 -49.107 1.00 0.61 H new ATOM 0 HB2 MET A 26 52.041 41.534 -48.576 1.00 0.72 H new ATOM 0 HB3 MET A 26 52.407 41.209 -50.259 1.00 0.72 H new ATOM 0 HG2 MET A 26 52.448 39.186 -47.963 1.00 0.91 H new ATOM 0 HG3 MET A 26 51.307 39.232 -49.292 1.00 0.91 H new ATOM 0 HE1 MET A 26 53.612 38.833 -52.372 1.00 1.96 H new ATOM 0 HE2 MET A 26 52.481 39.953 -51.574 1.00 1.96 H new ATOM 0 HE3 MET A 26 54.237 40.198 -51.417 1.00 1.96 H new ATOM 438 N VAL A 27 55.698 41.982 -50.667 1.00 0.76 N ATOM 439 CA VAL A 27 56.279 43.014 -51.583 1.00 0.80 C ATOM 440 C VAL A 27 55.180 43.896 -52.185 1.00 0.91 C ATOM 441 O VAL A 27 55.404 45.048 -52.497 1.00 1.08 O ATOM 442 CB VAL A 27 57.001 42.236 -52.680 1.00 0.93 C ATOM 443 CG1 VAL A 27 57.394 43.203 -53.797 1.00 1.11 C ATOM 444 CG2 VAL A 27 58.262 41.588 -52.100 1.00 1.06 C ATOM 0 H VAL A 27 56.159 41.072 -50.691 1.00 0.76 H new ATOM 0 HA VAL A 27 56.955 43.681 -51.048 1.00 0.80 H new ATOM 0 HB VAL A 27 56.346 41.460 -53.076 1.00 0.93 H new ATOM 0 HG11 VAL A 27 57.911 42.657 -54.586 1.00 1.11 H new ATOM 0 HG12 VAL A 27 56.498 43.670 -54.206 1.00 1.11 H new ATOM 0 HG13 VAL A 27 58.054 43.973 -53.397 1.00 1.11 H new ATOM 0 HG21 VAL A 27 58.778 41.032 -52.883 1.00 1.06 H new ATOM 0 HG22 VAL A 27 58.922 42.362 -51.709 1.00 1.06 H new ATOM 0 HG23 VAL A 27 57.984 40.908 -51.295 1.00 1.06 H new ATOM 454 N ALA A 28 53.992 43.376 -52.344 1.00 0.94 N ATOM 455 CA ALA A 28 52.894 44.210 -52.913 1.00 1.10 C ATOM 456 C ALA A 28 52.808 45.529 -52.141 1.00 1.12 C ATOM 457 O ALA A 28 52.810 46.599 -52.714 1.00 1.33 O ATOM 458 CB ALA A 28 51.620 43.387 -52.721 1.00 1.15 C ATOM 0 H ALA A 28 53.736 42.418 -52.107 1.00 0.94 H new ATOM 0 HA ALA A 28 53.053 44.455 -53.963 1.00 1.10 H new ATOM 0 HB1 ALA A 28 50.767 43.939 -53.117 1.00 1.15 H new ATOM 0 HB2 ALA A 28 51.716 42.439 -53.250 1.00 1.15 H new ATOM 0 HB3 ALA A 28 51.467 43.196 -51.659 1.00 1.15 H new ATOM 464 N THR A 29 52.751 45.457 -50.838 1.00 1.00 N ATOM 465 CA THR A 29 52.685 46.703 -50.023 1.00 1.09 C ATOM 466 C THR A 29 53.823 46.712 -48.997 1.00 0.90 C ATOM 467 O THR A 29 53.634 46.315 -47.865 1.00 0.93 O ATOM 468 CB THR A 29 51.330 46.656 -49.313 1.00 1.33 C ATOM 469 OG1 THR A 29 50.289 46.783 -50.273 1.00 1.93 O ATOM 470 CG2 THR A 29 51.245 47.804 -48.301 1.00 1.85 C ATOM 0 H THR A 29 52.747 44.588 -50.303 1.00 1.00 H new ATOM 0 HA THR A 29 52.787 47.600 -50.634 1.00 1.09 H new ATOM 0 HB THR A 29 51.223 45.706 -48.789 1.00 1.33 H new ATOM 0 HG1 THR A 29 49.421 46.751 -49.820 1.00 1.93 H new ATOM 0 HG21 THR A 29 50.280 47.772 -47.794 1.00 1.85 H new ATOM 0 HG22 THR A 29 52.044 47.702 -47.567 1.00 1.85 H new ATOM 0 HG23 THR A 29 51.350 48.756 -48.821 1.00 1.85 H new ATOM 478 N PRO A 30 54.976 47.169 -49.424 1.00 0.99 N ATOM 479 CA PRO A 30 56.166 47.231 -48.530 1.00 1.03 C ATOM 480 C PRO A 30 56.025 48.334 -47.462 1.00 0.85 C ATOM 481 O PRO A 30 57.008 48.894 -47.020 1.00 0.90 O ATOM 482 CB PRO A 30 57.291 47.590 -49.509 1.00 1.44 C ATOM 483 CG PRO A 30 56.690 47.740 -50.921 1.00 1.67 C ATOM 484 CD PRO A 30 55.165 47.626 -50.819 1.00 1.36 C ATOM 0 HA PRO A 30 56.326 46.307 -47.975 1.00 1.03 H new ATOM 0 HB2 PRO A 30 57.775 48.518 -49.204 1.00 1.44 H new ATOM 0 HB3 PRO A 30 58.057 46.814 -49.505 1.00 1.44 H new ATOM 0 HG2 PRO A 30 56.969 48.702 -51.351 1.00 1.67 H new ATOM 0 HG3 PRO A 30 57.083 46.969 -51.583 1.00 1.67 H new ATOM 0 HD2 PRO A 30 54.672 48.580 -51.005 1.00 1.36 H new ATOM 0 HD3 PRO A 30 54.761 46.914 -51.539 1.00 1.36 H new ATOM 492 N LYS A 31 54.824 48.655 -47.045 1.00 0.96 N ATOM 493 CA LYS A 31 54.650 49.721 -46.016 1.00 1.02 C ATOM 494 C LYS A 31 53.872 49.182 -44.813 1.00 0.94 C ATOM 495 O LYS A 31 53.824 49.800 -43.768 1.00 1.09 O ATOM 496 CB LYS A 31 53.847 50.815 -46.724 1.00 1.39 C ATOM 497 CG LYS A 31 54.693 52.085 -46.824 1.00 1.90 C ATOM 498 CD LYS A 31 55.274 52.422 -45.450 1.00 2.38 C ATOM 499 CE LYS A 31 55.479 53.936 -45.338 1.00 2.81 C ATOM 500 NZ LYS A 31 54.407 54.413 -44.417 1.00 3.08 N ATOM 0 H LYS A 31 53.960 48.224 -47.374 1.00 0.96 H new ATOM 0 HA LYS A 31 55.603 50.087 -45.635 1.00 1.02 H new ATOM 0 HB2 LYS A 31 53.555 50.480 -47.719 1.00 1.39 H new ATOM 0 HB3 LYS A 31 52.928 51.020 -46.175 1.00 1.39 H new ATOM 0 HG2 LYS A 31 55.497 51.943 -47.546 1.00 1.90 H new ATOM 0 HG3 LYS A 31 54.083 52.913 -47.186 1.00 1.90 H new ATOM 0 HD2 LYS A 31 54.602 52.076 -44.665 1.00 2.38 H new ATOM 0 HD3 LYS A 31 56.223 51.905 -45.308 1.00 2.38 H new ATOM 0 HE2 LYS A 31 56.468 54.171 -44.945 1.00 2.81 H new ATOM 0 HE3 LYS A 31 55.402 54.416 -46.313 1.00 2.81 H new ATOM 0 HZ1 LYS A 31 54.487 55.443 -44.295 1.00 3.08 H new ATOM 0 HZ2 LYS A 31 53.476 54.184 -44.820 1.00 3.08 H new ATOM 0 HZ3 LYS A 31 54.509 53.946 -43.494 1.00 3.08 H new ATOM 514 N VAL A 32 53.261 48.034 -44.952 1.00 0.83 N ATOM 515 CA VAL A 32 52.487 47.456 -43.812 1.00 0.87 C ATOM 516 C VAL A 32 52.929 46.006 -43.570 1.00 0.69 C ATOM 517 O VAL A 32 52.309 45.077 -44.050 1.00 0.70 O ATOM 518 CB VAL A 32 51.019 47.521 -44.246 1.00 1.10 C ATOM 519 CG1 VAL A 32 50.119 47.399 -43.014 1.00 1.65 C ATOM 520 CG2 VAL A 32 50.744 48.861 -44.940 1.00 1.72 C ATOM 0 H VAL A 32 53.264 47.472 -45.804 1.00 0.83 H new ATOM 0 HA VAL A 32 52.647 47.997 -42.879 1.00 0.87 H new ATOM 0 HB VAL A 32 50.812 46.704 -44.937 1.00 1.10 H new ATOM 0 HG11 VAL A 32 49.074 47.445 -43.321 1.00 1.65 H new ATOM 0 HG12 VAL A 32 50.310 46.448 -42.517 1.00 1.65 H new ATOM 0 HG13 VAL A 32 50.331 48.217 -42.326 1.00 1.65 H new ATOM 0 HG21 VAL A 32 49.699 48.904 -45.247 1.00 1.72 H new ATOM 0 HG22 VAL A 32 50.953 49.678 -44.249 1.00 1.72 H new ATOM 0 HG23 VAL A 32 51.384 48.955 -45.817 1.00 1.72 H new ATOM 530 N PRO A 33 54.008 45.864 -42.838 1.00 0.67 N ATOM 531 CA PRO A 33 54.570 44.524 -42.530 1.00 0.65 C ATOM 532 C PRO A 33 53.576 43.642 -41.771 1.00 0.67 C ATOM 533 O PRO A 33 52.792 44.107 -40.968 1.00 0.79 O ATOM 534 CB PRO A 33 55.788 44.864 -41.662 1.00 0.82 C ATOM 535 CG PRO A 33 55.869 46.394 -41.493 1.00 0.91 C ATOM 536 CD PRO A 33 54.726 47.037 -42.283 1.00 0.84 C ATOM 0 HA PRO A 33 54.815 43.951 -43.424 1.00 0.65 H new ATOM 0 HB2 PRO A 33 55.704 44.381 -40.688 1.00 0.82 H new ATOM 0 HB3 PRO A 33 56.699 44.487 -42.127 1.00 0.82 H new ATOM 0 HG2 PRO A 33 55.797 46.662 -40.439 1.00 0.91 H new ATOM 0 HG3 PRO A 33 56.830 46.763 -41.851 1.00 0.91 H new ATOM 0 HD2 PRO A 33 54.082 47.640 -41.643 1.00 0.84 H new ATOM 0 HD3 PRO A 33 55.098 47.693 -43.070 1.00 0.84 H new ATOM 544 N VAL A 34 53.635 42.358 -42.009 1.00 0.64 N ATOM 545 CA VAL A 34 52.743 41.409 -41.296 1.00 0.72 C ATOM 546 C VAL A 34 53.453 40.954 -40.024 1.00 0.63 C ATOM 547 O VAL A 34 52.878 40.336 -39.151 1.00 0.79 O ATOM 548 CB VAL A 34 52.556 40.230 -42.246 1.00 0.84 C ATOM 549 CG1 VAL A 34 51.925 40.709 -43.553 1.00 1.32 C ATOM 550 CG2 VAL A 34 53.919 39.616 -42.533 1.00 1.19 C ATOM 0 H VAL A 34 54.273 41.925 -42.677 1.00 0.64 H new ATOM 0 HA VAL A 34 51.784 41.848 -41.022 1.00 0.72 H new ATOM 0 HB VAL A 34 51.900 39.489 -41.789 1.00 0.84 H new ATOM 0 HG11 VAL A 34 51.795 39.862 -44.226 1.00 1.32 H new ATOM 0 HG12 VAL A 34 50.955 41.160 -43.345 1.00 1.32 H new ATOM 0 HG13 VAL A 34 52.575 41.448 -44.022 1.00 1.32 H new ATOM 0 HG21 VAL A 34 53.802 38.771 -43.211 1.00 1.19 H new ATOM 0 HG22 VAL A 34 54.565 40.364 -42.993 1.00 1.19 H new ATOM 0 HG23 VAL A 34 54.367 39.273 -41.600 1.00 1.19 H new ATOM 560 N LYS A 35 54.712 41.278 -39.923 1.00 0.46 N ATOM 561 CA LYS A 35 55.502 40.912 -38.726 1.00 0.45 C ATOM 562 C LYS A 35 56.351 42.116 -38.335 1.00 0.39 C ATOM 563 O LYS A 35 56.871 42.802 -39.183 1.00 0.51 O ATOM 564 CB LYS A 35 56.404 39.757 -39.176 1.00 0.59 C ATOM 565 CG LYS A 35 55.582 38.476 -39.307 1.00 0.90 C ATOM 566 CD LYS A 35 55.523 37.775 -37.949 1.00 1.38 C ATOM 567 CE LYS A 35 54.272 38.233 -37.195 1.00 1.90 C ATOM 568 NZ LYS A 35 54.772 39.150 -36.131 1.00 2.50 N ATOM 0 H LYS A 35 55.232 41.791 -40.636 1.00 0.46 H new ATOM 0 HA LYS A 35 54.886 40.626 -37.874 1.00 0.45 H new ATOM 0 HB2 LYS A 35 56.871 39.999 -40.131 1.00 0.59 H new ATOM 0 HB3 LYS A 35 57.209 39.611 -38.456 1.00 0.59 H new ATOM 0 HG2 LYS A 35 54.575 38.710 -39.653 1.00 0.90 H new ATOM 0 HG3 LYS A 35 56.030 37.817 -40.051 1.00 0.90 H new ATOM 0 HD2 LYS A 35 55.503 36.694 -38.086 1.00 1.38 H new ATOM 0 HD3 LYS A 35 56.416 38.006 -37.369 1.00 1.38 H new ATOM 0 HE2 LYS A 35 53.576 38.744 -37.860 1.00 1.90 H new ATOM 0 HE3 LYS A 35 53.738 37.385 -36.766 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 54.108 39.942 -36.015 1.00 2.50 H new ATOM 0 HZ2 LYS A 35 54.851 38.630 -35.234 1.00 2.50 H new ATOM 0 HZ3 LYS A 35 55.707 39.518 -36.401 1.00 2.50 H new ATOM 582 N ARG A 36 56.505 42.371 -37.072 1.00 0.34 N ATOM 583 CA ARG A 36 57.347 43.522 -36.636 1.00 0.33 C ATOM 584 C ARG A 36 57.971 43.184 -35.280 1.00 0.36 C ATOM 585 O ARG A 36 57.317 43.240 -34.257 1.00 0.42 O ATOM 586 CB ARG A 36 56.413 44.733 -36.549 1.00 0.37 C ATOM 587 CG ARG A 36 57.167 45.982 -37.028 1.00 0.54 C ATOM 588 CD ARG A 36 56.178 47.047 -37.517 1.00 0.83 C ATOM 589 NE ARG A 36 56.940 47.840 -38.527 1.00 0.89 N ATOM 590 CZ ARG A 36 56.516 49.020 -38.899 1.00 1.07 C ATOM 591 NH1 ARG A 36 56.287 49.946 -38.009 1.00 1.76 N ATOM 592 NH2 ARG A 36 56.328 49.274 -40.167 1.00 1.27 N ATOM 0 H ARG A 36 56.084 41.832 -36.315 1.00 0.34 H new ATOM 0 HA ARG A 36 58.162 43.737 -37.327 1.00 0.33 H new ATOM 0 HB2 ARG A 36 55.527 44.570 -37.163 1.00 0.37 H new ATOM 0 HB3 ARG A 36 56.070 44.871 -35.524 1.00 0.37 H new ATOM 0 HG2 ARG A 36 57.772 46.384 -36.215 1.00 0.54 H new ATOM 0 HG3 ARG A 36 57.852 45.715 -37.833 1.00 0.54 H new ATOM 0 HD2 ARG A 36 55.292 46.591 -37.959 1.00 0.83 H new ATOM 0 HD3 ARG A 36 55.836 47.677 -36.695 1.00 0.83 H new ATOM 0 HE ARG A 36 57.796 47.459 -38.929 1.00 0.89 H new ATOM 0 HH11 ARG A 36 56.439 49.751 -37.019 1.00 1.76 H new ATOM 0 HH12 ARG A 36 55.956 50.865 -38.303 1.00 1.76 H new ATOM 0 HH21 ARG A 36 56.512 48.553 -40.864 1.00 1.27 H new ATOM 0 HH22 ARG A 36 55.997 50.194 -40.459 1.00 1.27 H new ATOM 606 N GLY A 37 59.222 42.794 -35.255 1.00 0.34 N ATOM 607 CA GLY A 37 59.831 42.414 -33.943 1.00 0.39 C ATOM 608 C GLY A 37 61.316 42.783 -33.869 1.00 0.38 C ATOM 609 O GLY A 37 61.755 43.775 -34.413 1.00 0.44 O ATOM 0 H GLY A 37 59.836 42.723 -36.066 1.00 0.34 H new ATOM 0 HA2 GLY A 37 59.293 42.912 -33.136 1.00 0.39 H new ATOM 0 HA3 GLY A 37 59.716 41.341 -33.788 1.00 0.39 H new ATOM 613 N CYS A 38 62.081 41.987 -33.162 1.00 0.40 N ATOM 614 CA CYS A 38 63.541 42.272 -32.995 1.00 0.41 C ATOM 615 C CYS A 38 64.396 41.275 -33.772 1.00 0.39 C ATOM 616 O CYS A 38 64.153 40.084 -33.741 1.00 0.42 O ATOM 617 CB CYS A 38 63.836 42.083 -31.501 1.00 0.52 C ATOM 618 SG CYS A 38 62.425 42.577 -30.482 1.00 1.14 S ATOM 0 H CYS A 38 61.753 41.145 -32.689 1.00 0.40 H new ATOM 0 HA CYS A 38 63.772 43.273 -33.360 1.00 0.41 H new ATOM 0 HB2 CYS A 38 64.080 41.039 -31.306 1.00 0.52 H new ATOM 0 HB3 CYS A 38 64.711 42.672 -31.224 1.00 0.52 H new ATOM 623 N ILE A 39 65.424 41.733 -34.434 1.00 0.38 N ATOM 624 CA ILE A 39 66.300 40.781 -35.155 1.00 0.39 C ATOM 625 C ILE A 39 67.749 40.988 -34.708 1.00 0.43 C ATOM 626 O ILE A 39 68.135 42.055 -34.266 1.00 0.48 O ATOM 627 CB ILE A 39 66.116 41.100 -36.650 1.00 0.38 C ATOM 628 CG1 ILE A 39 65.021 40.189 -37.213 1.00 0.39 C ATOM 629 CG2 ILE A 39 67.426 40.861 -37.417 1.00 0.43 C ATOM 630 CD1 ILE A 39 65.127 40.098 -38.739 1.00 0.42 C ATOM 0 H ILE A 39 65.689 42.715 -34.504 1.00 0.38 H new ATOM 0 HA ILE A 39 66.051 39.739 -34.952 1.00 0.39 H new ATOM 0 HB ILE A 39 65.835 42.147 -36.764 1.00 0.38 H new ATOM 0 HG12 ILE A 39 65.109 39.194 -36.777 1.00 0.39 H new ATOM 0 HG13 ILE A 39 64.040 40.574 -36.933 1.00 0.39 H new ATOM 0 HG21 ILE A 39 67.277 41.091 -38.472 1.00 0.43 H new ATOM 0 HG22 ILE A 39 68.207 41.504 -37.012 1.00 0.43 H new ATOM 0 HG23 ILE A 39 67.724 39.818 -37.312 1.00 0.43 H new ATOM 0 HD11 ILE A 39 64.341 39.446 -39.120 1.00 0.42 H new ATOM 0 HD12 ILE A 39 65.016 41.092 -39.171 1.00 0.42 H new ATOM 0 HD13 ILE A 39 66.100 39.690 -39.012 1.00 0.42 H new ATOM 642 N ASP A 40 68.551 39.979 -34.841 1.00 0.48 N ATOM 643 CA ASP A 40 69.985 40.103 -34.471 1.00 0.56 C ATOM 644 C ASP A 40 70.811 39.988 -35.757 1.00 0.58 C ATOM 645 O ASP A 40 71.965 40.361 -35.815 1.00 0.67 O ATOM 646 CB ASP A 40 70.268 38.940 -33.520 1.00 0.67 C ATOM 647 CG ASP A 40 71.675 39.090 -32.944 1.00 1.31 C ATOM 648 OD1 ASP A 40 72.521 39.636 -33.635 1.00 1.94 O ATOM 649 OD2 ASP A 40 71.884 38.661 -31.823 1.00 2.02 O ATOM 0 H ASP A 40 68.275 39.063 -35.194 1.00 0.48 H new ATOM 0 HA ASP A 40 70.233 41.050 -33.991 1.00 0.56 H new ATOM 0 HB2 ASP A 40 69.533 38.926 -32.715 1.00 0.67 H new ATOM 0 HB3 ASP A 40 70.179 37.992 -34.050 1.00 0.67 H new ATOM 654 N VAL A 41 70.191 39.487 -36.796 1.00 0.56 N ATOM 655 CA VAL A 41 70.866 39.349 -38.114 1.00 0.63 C ATOM 656 C VAL A 41 69.809 39.557 -39.211 1.00 0.58 C ATOM 657 O VAL A 41 68.914 38.754 -39.386 1.00 0.68 O ATOM 658 CB VAL A 41 71.439 37.925 -38.131 1.00 0.76 C ATOM 659 CG1 VAL A 41 70.335 36.906 -38.428 1.00 1.54 C ATOM 660 CG2 VAL A 41 72.519 37.830 -39.208 1.00 1.57 C ATOM 0 H VAL A 41 69.224 39.162 -36.781 1.00 0.56 H new ATOM 0 HA VAL A 41 71.662 40.074 -38.282 1.00 0.63 H new ATOM 0 HB VAL A 41 71.866 37.704 -37.153 1.00 0.76 H new ATOM 0 HG11 VAL A 41 70.759 35.902 -38.436 1.00 1.54 H new ATOM 0 HG12 VAL A 41 69.566 36.969 -37.659 1.00 1.54 H new ATOM 0 HG13 VAL A 41 69.893 37.121 -39.401 1.00 1.54 H new ATOM 0 HG21 VAL A 41 72.929 36.820 -39.224 1.00 1.57 H new ATOM 0 HG22 VAL A 41 72.084 38.060 -40.181 1.00 1.57 H new ATOM 0 HG23 VAL A 41 73.315 38.541 -38.989 1.00 1.57 H new ATOM 670 N CYS A 42 69.873 40.645 -39.930 1.00 0.72 N ATOM 671 CA CYS A 42 68.837 40.899 -40.975 1.00 0.76 C ATOM 672 C CYS A 42 68.841 39.778 -42.016 1.00 0.76 C ATOM 673 O CYS A 42 69.787 39.642 -42.770 1.00 0.90 O ATOM 674 CB CYS A 42 69.227 42.220 -41.635 1.00 1.00 C ATOM 675 SG CYS A 42 68.030 42.611 -42.938 1.00 1.13 S ATOM 0 H CYS A 42 70.591 41.364 -39.841 1.00 0.72 H new ATOM 0 HA CYS A 42 67.838 40.939 -40.542 1.00 0.76 H new ATOM 0 HB2 CYS A 42 69.249 43.018 -40.893 1.00 1.00 H new ATOM 0 HB3 CYS A 42 70.230 42.148 -42.056 1.00 1.00 H new ATOM 680 N PRO A 43 67.773 39.012 -42.032 1.00 0.70 N ATOM 681 CA PRO A 43 67.648 37.898 -42.995 1.00 0.80 C ATOM 682 C PRO A 43 67.520 38.448 -44.419 1.00 0.89 C ATOM 683 O PRO A 43 67.397 39.638 -44.623 1.00 0.97 O ATOM 684 CB PRO A 43 66.344 37.226 -42.557 1.00 0.80 C ATOM 685 CG PRO A 43 65.769 37.985 -41.351 1.00 0.72 C ATOM 686 CD PRO A 43 66.643 39.213 -41.090 1.00 0.65 C ATOM 0 HA PRO A 43 68.502 37.221 -43.003 1.00 0.80 H new ATOM 0 HB2 PRO A 43 65.627 37.225 -43.378 1.00 0.80 H new ATOM 0 HB3 PRO A 43 66.528 36.184 -42.293 1.00 0.80 H new ATOM 0 HG2 PRO A 43 64.740 38.287 -41.549 1.00 0.72 H new ATOM 0 HG3 PRO A 43 65.749 37.341 -40.472 1.00 0.72 H new ATOM 0 HD2 PRO A 43 66.108 40.141 -41.291 1.00 0.65 H new ATOM 0 HD3 PRO A 43 66.981 39.257 -40.055 1.00 0.65 H new ATOM 694 N LYS A 44 67.540 37.595 -45.404 1.00 1.04 N ATOM 695 CA LYS A 44 67.410 38.082 -46.807 1.00 1.19 C ATOM 696 C LYS A 44 65.936 38.167 -47.199 1.00 1.07 C ATOM 697 O LYS A 44 65.088 37.533 -46.606 1.00 1.52 O ATOM 698 CB LYS A 44 68.131 37.047 -47.668 1.00 1.53 C ATOM 699 CG LYS A 44 69.618 37.037 -47.319 1.00 2.08 C ATOM 700 CD LYS A 44 70.250 38.365 -47.744 1.00 2.77 C ATOM 701 CE LYS A 44 71.529 38.090 -48.539 1.00 3.61 C ATOM 702 NZ LYS A 44 71.066 37.641 -49.884 1.00 4.19 N ATOM 0 H LYS A 44 67.640 36.585 -45.300 1.00 1.04 H new ATOM 0 HA LYS A 44 67.836 39.077 -46.934 1.00 1.19 H new ATOM 0 HB2 LYS A 44 67.702 36.059 -47.503 1.00 1.53 H new ATOM 0 HB3 LYS A 44 67.997 37.280 -48.724 1.00 1.53 H new ATOM 0 HG2 LYS A 44 69.750 36.885 -46.248 1.00 2.08 H new ATOM 0 HG3 LYS A 44 70.115 36.208 -47.822 1.00 2.08 H new ATOM 0 HD2 LYS A 44 69.548 38.937 -48.351 1.00 2.77 H new ATOM 0 HD3 LYS A 44 70.478 38.969 -46.866 1.00 2.77 H new ATOM 0 HE2 LYS A 44 72.146 38.985 -48.614 1.00 3.61 H new ATOM 0 HE3 LYS A 44 72.136 37.324 -48.056 1.00 3.61 H new ATOM 0 HZ1 LYS A 44 71.527 36.741 -50.127 1.00 4.19 H new ATOM 0 HZ2 LYS A 44 70.035 37.508 -49.870 1.00 4.19 H new ATOM 0 HZ3 LYS A 44 71.313 38.360 -50.594 1.00 4.19 H new ATOM 716 N SER A 45 65.627 38.943 -48.197 1.00 1.01 N ATOM 717 CA SER A 45 64.207 39.072 -48.636 1.00 0.93 C ATOM 718 C SER A 45 64.019 38.402 -49.999 1.00 0.94 C ATOM 719 O SER A 45 64.901 38.427 -50.832 1.00 1.20 O ATOM 720 CB SER A 45 63.965 40.577 -48.754 1.00 1.04 C ATOM 721 OG SER A 45 65.151 41.282 -48.406 1.00 1.64 O ATOM 0 H SER A 45 66.297 39.496 -48.731 1.00 1.01 H new ATOM 0 HA SER A 45 63.515 38.597 -47.941 1.00 0.93 H new ATOM 0 HB2 SER A 45 63.666 40.828 -49.772 1.00 1.04 H new ATOM 0 HB3 SER A 45 63.147 40.876 -48.099 1.00 1.04 H new ATOM 0 HG SER A 45 65.619 41.557 -49.222 1.00 1.64 H new ATOM 727 N SER A 46 62.880 37.808 -50.244 1.00 0.84 N ATOM 728 CA SER A 46 62.668 37.153 -51.566 1.00 1.02 C ATOM 729 C SER A 46 61.727 37.999 -52.427 1.00 1.10 C ATOM 730 O SER A 46 61.192 38.995 -51.984 1.00 1.66 O ATOM 731 CB SER A 46 62.044 35.796 -51.246 1.00 1.08 C ATOM 732 OG SER A 46 61.656 35.163 -52.458 1.00 1.49 O ATOM 0 H SER A 46 62.097 37.749 -49.593 1.00 0.84 H new ATOM 0 HA SER A 46 63.596 37.044 -52.128 1.00 1.02 H new ATOM 0 HB2 SER A 46 62.758 35.172 -50.708 1.00 1.08 H new ATOM 0 HB3 SER A 46 61.179 35.924 -50.596 1.00 1.08 H new ATOM 0 HG SER A 46 61.256 34.291 -52.258 1.00 1.49 H new ATOM 738 N LEU A 47 61.530 37.612 -53.658 1.00 1.13 N ATOM 739 CA LEU A 47 60.632 38.394 -54.556 1.00 1.25 C ATOM 740 C LEU A 47 59.205 38.426 -53.996 1.00 0.98 C ATOM 741 O LEU A 47 58.374 39.195 -54.439 1.00 1.23 O ATOM 742 CB LEU A 47 60.664 37.651 -55.892 1.00 1.60 C ATOM 743 CG LEU A 47 61.969 37.971 -56.625 1.00 2.09 C ATOM 744 CD1 LEU A 47 62.329 36.812 -57.554 1.00 2.75 C ATOM 745 CD2 LEU A 47 61.788 39.248 -57.450 1.00 2.50 C ATOM 0 H LEU A 47 61.953 36.786 -54.082 1.00 1.13 H new ATOM 0 HA LEU A 47 60.954 39.431 -54.654 1.00 1.25 H new ATOM 0 HB2 LEU A 47 60.583 36.577 -55.725 1.00 1.60 H new ATOM 0 HB3 LEU A 47 59.810 37.944 -56.503 1.00 1.60 H new ATOM 0 HG LEU A 47 62.769 38.116 -55.899 1.00 2.09 H new ATOM 0 HD11 LEU A 47 63.258 37.039 -58.076 1.00 2.75 H new ATOM 0 HD12 LEU A 47 62.456 35.902 -56.968 1.00 2.75 H new ATOM 0 HD13 LEU A 47 61.530 36.667 -58.281 1.00 2.75 H new ATOM 0 HD21 LEU A 47 62.716 39.478 -57.973 1.00 2.50 H new ATOM 0 HD22 LEU A 47 60.989 39.102 -58.177 1.00 2.50 H new ATOM 0 HD23 LEU A 47 61.530 40.075 -56.789 1.00 2.50 H new ATOM 757 N LEU A 48 58.911 37.597 -53.031 1.00 0.79 N ATOM 758 CA LEU A 48 57.535 37.586 -52.454 1.00 0.85 C ATOM 759 C LEU A 48 57.539 38.206 -51.053 1.00 0.71 C ATOM 760 O LEU A 48 56.746 39.076 -50.752 1.00 0.92 O ATOM 761 CB LEU A 48 57.144 36.111 -52.387 1.00 1.16 C ATOM 762 CG LEU A 48 56.107 35.805 -53.473 1.00 1.67 C ATOM 763 CD1 LEU A 48 55.586 34.378 -53.290 1.00 2.36 C ATOM 764 CD2 LEU A 48 54.944 36.790 -53.361 1.00 2.47 C ATOM 0 H LEU A 48 59.561 36.929 -52.618 1.00 0.79 H new ATOM 0 HA LEU A 48 56.834 38.167 -53.053 1.00 0.85 H new ATOM 0 HB2 LEU A 48 58.025 35.484 -52.524 1.00 1.16 H new ATOM 0 HB3 LEU A 48 56.736 35.877 -51.404 1.00 1.16 H new ATOM 0 HG LEU A 48 56.570 35.901 -54.455 1.00 1.67 H new ATOM 0 HD11 LEU A 48 54.848 34.158 -54.062 1.00 2.36 H new ATOM 0 HD12 LEU A 48 56.415 33.675 -53.370 1.00 2.36 H new ATOM 0 HD13 LEU A 48 55.123 34.283 -52.308 1.00 2.36 H new ATOM 0 HD21 LEU A 48 54.207 36.572 -54.134 1.00 2.47 H new ATOM 0 HD22 LEU A 48 54.480 36.695 -52.379 1.00 2.47 H new ATOM 0 HD23 LEU A 48 55.315 37.807 -53.490 1.00 2.47 H new ATOM 776 N VAL A 49 58.423 37.768 -50.195 1.00 0.54 N ATOM 777 CA VAL A 49 58.463 38.341 -48.819 1.00 0.49 C ATOM 778 C VAL A 49 59.544 39.417 -48.726 1.00 0.42 C ATOM 779 O VAL A 49 60.564 39.341 -49.378 1.00 0.58 O ATOM 780 CB VAL A 49 58.792 37.161 -47.901 1.00 0.65 C ATOM 781 CG1 VAL A 49 57.898 35.977 -48.256 1.00 0.99 C ATOM 782 CG2 VAL A 49 60.254 36.744 -48.074 1.00 1.13 C ATOM 0 H VAL A 49 59.114 37.043 -50.387 1.00 0.54 H new ATOM 0 HA VAL A 49 57.521 38.815 -48.543 1.00 0.49 H new ATOM 0 HB VAL A 49 58.623 37.465 -46.868 1.00 0.65 H new ATOM 0 HG11 VAL A 49 58.131 35.136 -47.603 1.00 0.99 H new ATOM 0 HG12 VAL A 49 56.853 36.258 -48.126 1.00 0.99 H new ATOM 0 HG13 VAL A 49 58.070 35.689 -49.293 1.00 0.99 H new ATOM 0 HG21 VAL A 49 60.473 35.904 -47.415 1.00 1.13 H new ATOM 0 HG22 VAL A 49 60.428 36.448 -49.109 1.00 1.13 H new ATOM 0 HG23 VAL A 49 60.904 37.582 -47.822 1.00 1.13 H new ATOM 792 N LYS A 50 59.333 40.417 -47.917 1.00 0.40 N ATOM 793 CA LYS A 50 60.358 41.489 -47.786 1.00 0.42 C ATOM 794 C LYS A 50 60.358 42.048 -46.359 1.00 0.44 C ATOM 795 O LYS A 50 59.372 42.575 -45.893 1.00 0.55 O ATOM 796 CB LYS A 50 59.937 42.560 -48.807 1.00 0.57 C ATOM 797 CG LYS A 50 61.018 43.657 -48.983 1.00 1.02 C ATOM 798 CD LYS A 50 62.387 43.210 -48.446 1.00 1.41 C ATOM 799 CE LYS A 50 63.258 44.438 -48.176 1.00 1.74 C ATOM 800 NZ LYS A 50 64.525 43.889 -47.614 1.00 2.40 N ATOM 0 H LYS A 50 58.499 40.538 -47.343 1.00 0.40 H new ATOM 0 HA LYS A 50 61.370 41.130 -47.975 1.00 0.42 H new ATOM 0 HB2 LYS A 50 59.743 42.086 -49.769 1.00 0.57 H new ATOM 0 HB3 LYS A 50 59.003 43.021 -48.484 1.00 0.57 H new ATOM 0 HG2 LYS A 50 61.108 43.910 -50.039 1.00 1.02 H new ATOM 0 HG3 LYS A 50 60.703 44.562 -48.464 1.00 1.02 H new ATOM 0 HD2 LYS A 50 62.259 42.634 -47.530 1.00 1.41 H new ATOM 0 HD3 LYS A 50 62.876 42.556 -49.168 1.00 1.41 H new ATOM 0 HE2 LYS A 50 63.442 45.001 -49.091 1.00 1.74 H new ATOM 0 HE3 LYS A 50 62.776 45.119 -47.474 1.00 1.74 H new ATOM 0 HZ1 LYS A 50 65.295 44.572 -47.761 1.00 2.40 H new ATOM 0 HZ2 LYS A 50 64.406 43.715 -46.595 1.00 2.40 H new ATOM 0 HZ3 LYS A 50 64.759 42.996 -48.093 1.00 2.40 H new ATOM 814 N TYR A 51 61.458 41.935 -45.655 1.00 0.44 N ATOM 815 CA TYR A 51 61.493 42.478 -44.259 1.00 0.52 C ATOM 816 C TYR A 51 62.606 43.521 -44.099 1.00 0.45 C ATOM 817 O TYR A 51 63.703 43.358 -44.595 1.00 0.59 O ATOM 818 CB TYR A 51 61.756 41.300 -43.298 1.00 0.73 C ATOM 819 CG TYR A 51 62.108 40.035 -44.043 1.00 0.50 C ATOM 820 CD1 TYR A 51 61.134 39.388 -44.799 1.00 0.69 C ATOM 821 CD2 TYR A 51 63.397 39.500 -43.960 1.00 0.82 C ATOM 822 CE1 TYR A 51 61.439 38.205 -45.472 1.00 0.76 C ATOM 823 CE2 TYR A 51 63.703 38.313 -44.636 1.00 1.19 C ATOM 824 CZ TYR A 51 62.722 37.664 -45.391 1.00 1.05 C ATOM 825 OH TYR A 51 63.019 36.492 -46.057 1.00 1.47 O ATOM 0 H TYR A 51 62.321 41.498 -45.979 1.00 0.44 H new ATOM 0 HA TYR A 51 60.543 42.963 -44.036 1.00 0.52 H new ATOM 0 HB2 TYR A 51 62.568 41.560 -42.619 1.00 0.73 H new ATOM 0 HB3 TYR A 51 60.871 41.127 -42.685 1.00 0.73 H new ATOM 0 HD1 TYR A 51 60.139 39.803 -44.864 1.00 0.69 H new ATOM 0 HD2 TYR A 51 64.155 40.001 -43.376 1.00 0.82 H new ATOM 0 HE1 TYR A 51 60.680 37.707 -46.057 1.00 0.76 H new ATOM 0 HE2 TYR A 51 64.698 37.898 -44.574 1.00 1.19 H new ATOM 0 HH TYR A 51 63.991 36.401 -46.141 1.00 1.47 H new ATOM 835 N VAL A 52 62.329 44.586 -43.386 1.00 0.44 N ATOM 836 CA VAL A 52 63.365 45.640 -43.159 1.00 0.49 C ATOM 837 C VAL A 52 64.136 45.323 -41.876 1.00 0.43 C ATOM 838 O VAL A 52 63.666 44.572 -41.041 1.00 0.56 O ATOM 839 CB VAL A 52 62.581 46.943 -42.982 1.00 0.69 C ATOM 840 CG1 VAL A 52 63.533 48.139 -43.066 1.00 1.02 C ATOM 841 CG2 VAL A 52 61.517 47.060 -44.075 1.00 0.82 C ATOM 0 H VAL A 52 61.426 44.770 -42.950 1.00 0.44 H new ATOM 0 HA VAL A 52 64.081 45.702 -43.978 1.00 0.49 H new ATOM 0 HB VAL A 52 62.097 46.936 -42.005 1.00 0.69 H new ATOM 0 HG11 VAL A 52 62.969 49.063 -42.939 1.00 1.02 H new ATOM 0 HG12 VAL A 52 64.284 48.062 -42.280 1.00 1.02 H new ATOM 0 HG13 VAL A 52 64.025 48.145 -44.039 1.00 1.02 H new ATOM 0 HG21 VAL A 52 60.962 47.989 -43.944 1.00 0.82 H new ATOM 0 HG22 VAL A 52 61.998 47.059 -45.053 1.00 0.82 H new ATOM 0 HG23 VAL A 52 60.832 46.215 -44.007 1.00 0.82 H new ATOM 851 N CYS A 53 65.305 45.891 -41.698 1.00 0.44 N ATOM 852 CA CYS A 53 66.079 45.615 -40.450 1.00 0.47 C ATOM 853 C CYS A 53 66.799 46.881 -39.967 1.00 0.46 C ATOM 854 O CYS A 53 67.636 47.432 -40.652 1.00 0.68 O ATOM 855 CB CYS A 53 67.120 44.547 -40.811 1.00 0.73 C ATOM 856 SG CYS A 53 66.417 43.324 -41.944 1.00 1.39 S ATOM 0 H CYS A 53 65.752 46.528 -42.357 1.00 0.44 H new ATOM 0 HA CYS A 53 65.414 45.284 -39.652 1.00 0.47 H new ATOM 0 HB2 CYS A 53 67.988 45.019 -41.271 1.00 0.73 H new ATOM 0 HB3 CYS A 53 67.469 44.052 -39.905 1.00 0.73 H new ATOM 861 N CYS A 54 66.501 47.320 -38.777 1.00 0.39 N ATOM 862 CA CYS A 54 67.188 48.526 -38.222 1.00 0.51 C ATOM 863 C CYS A 54 67.865 48.130 -36.908 1.00 0.48 C ATOM 864 O CYS A 54 67.283 47.439 -36.105 1.00 0.46 O ATOM 865 CB CYS A 54 66.081 49.557 -37.986 1.00 0.68 C ATOM 866 SG CYS A 54 64.738 48.798 -37.052 1.00 1.08 S ATOM 0 H CYS A 54 65.809 46.896 -38.160 1.00 0.39 H new ATOM 0 HA CYS A 54 67.953 48.931 -38.885 1.00 0.51 H new ATOM 0 HB2 CYS A 54 66.478 50.414 -37.441 1.00 0.68 H new ATOM 0 HB3 CYS A 54 65.709 49.931 -38.940 1.00 0.68 H new ATOM 871 N ASN A 55 69.094 48.534 -36.695 1.00 0.52 N ATOM 872 CA ASN A 55 69.820 48.133 -35.441 1.00 0.55 C ATOM 873 C ASN A 55 69.594 49.148 -34.317 1.00 0.54 C ATOM 874 O ASN A 55 70.505 49.794 -33.841 1.00 0.61 O ATOM 875 CB ASN A 55 71.298 48.104 -35.850 1.00 0.67 C ATOM 876 CG ASN A 55 71.853 49.531 -35.985 1.00 1.48 C ATOM 877 OD1 ASN A 55 73.049 49.729 -35.938 1.00 2.23 O ATOM 878 ND2 ASN A 55 71.040 50.539 -36.155 1.00 2.32 N ATOM 0 H ASN A 55 69.628 49.124 -37.333 1.00 0.52 H new ATOM 0 HA ASN A 55 69.470 47.176 -35.055 1.00 0.55 H new ATOM 0 HB2 ASN A 55 71.875 47.553 -35.107 1.00 0.67 H new ATOM 0 HB3 ASN A 55 71.408 47.575 -36.796 1.00 0.67 H new ATOM 0 HD21 ASN A 55 71.412 51.484 -36.247 1.00 2.32 H new ATOM 0 HD22 ASN A 55 70.033 50.381 -36.196 1.00 2.32 H new ATOM 885 N THR A 56 68.376 49.285 -33.888 1.00 0.49 N ATOM 886 CA THR A 56 68.076 50.254 -32.790 1.00 0.50 C ATOM 887 C THR A 56 66.881 49.789 -31.952 1.00 0.48 C ATOM 888 O THR A 56 66.505 48.635 -31.960 1.00 0.57 O ATOM 889 CB THR A 56 67.760 51.574 -33.498 1.00 0.54 C ATOM 890 OG1 THR A 56 67.855 51.398 -34.908 1.00 1.15 O ATOM 891 CG2 THR A 56 68.758 52.642 -33.050 1.00 1.16 C ATOM 0 H THR A 56 67.571 48.771 -34.246 1.00 0.49 H new ATOM 0 HA THR A 56 68.913 50.349 -32.098 1.00 0.50 H new ATOM 0 HB THR A 56 66.748 51.888 -33.242 1.00 0.54 H new ATOM 0 HG1 THR A 56 67.651 52.244 -35.358 1.00 1.15 H new ATOM 0 HG21 THR A 56 68.535 53.583 -33.553 1.00 1.16 H new ATOM 0 HG22 THR A 56 68.683 52.781 -31.971 1.00 1.16 H new ATOM 0 HG23 THR A 56 69.769 52.325 -33.306 1.00 1.16 H new ATOM 899 N ASP A 57 66.262 50.713 -31.256 1.00 0.58 N ATOM 900 CA ASP A 57 65.059 50.382 -30.435 1.00 0.60 C ATOM 901 C ASP A 57 63.847 51.104 -31.037 1.00 0.59 C ATOM 902 O ASP A 57 63.928 52.263 -31.387 1.00 0.72 O ATOM 903 CB ASP A 57 65.364 50.928 -29.040 1.00 0.71 C ATOM 904 CG ASP A 57 64.150 50.715 -28.136 1.00 0.95 C ATOM 905 OD1 ASP A 57 63.170 51.418 -28.319 1.00 1.47 O ATOM 906 OD2 ASP A 57 64.220 49.851 -27.278 1.00 1.70 O ATOM 0 H ASP A 57 66.544 51.693 -31.223 1.00 0.58 H new ATOM 0 HA ASP A 57 64.841 49.315 -30.405 1.00 0.60 H new ATOM 0 HB2 ASP A 57 66.235 50.424 -28.622 1.00 0.71 H new ATOM 0 HB3 ASP A 57 65.607 51.989 -29.098 1.00 0.71 H new ATOM 911 N ARG A 58 62.734 50.440 -31.181 1.00 0.56 N ATOM 912 CA ARG A 58 61.552 51.122 -31.789 1.00 0.61 C ATOM 913 C ARG A 58 61.938 51.676 -33.168 1.00 0.60 C ATOM 914 O ARG A 58 61.420 52.682 -33.609 1.00 0.87 O ATOM 915 CB ARG A 58 61.211 52.272 -30.835 1.00 0.73 C ATOM 916 CG ARG A 58 60.084 51.848 -29.886 1.00 0.93 C ATOM 917 CD ARG A 58 58.720 52.216 -30.486 1.00 1.16 C ATOM 918 NE ARG A 58 58.835 53.641 -30.919 1.00 1.10 N ATOM 919 CZ ARG A 58 59.340 54.540 -30.116 1.00 1.34 C ATOM 920 NH1 ARG A 58 58.985 54.573 -28.860 1.00 1.52 N ATOM 921 NH2 ARG A 58 60.195 55.413 -30.574 1.00 1.91 N ATOM 0 H ARG A 58 62.590 49.468 -30.909 1.00 0.56 H new ATOM 0 HA ARG A 58 60.707 50.447 -31.924 1.00 0.61 H new ATOM 0 HB2 ARG A 58 62.094 52.554 -30.261 1.00 0.73 H new ATOM 0 HB3 ARG A 58 60.907 53.150 -31.405 1.00 0.73 H new ATOM 0 HG2 ARG A 58 60.133 50.774 -29.708 1.00 0.93 H new ATOM 0 HG3 ARG A 58 60.209 52.337 -28.920 1.00 0.93 H new ATOM 0 HD2 ARG A 58 58.477 51.570 -31.329 1.00 1.16 H new ATOM 0 HD3 ARG A 58 57.924 52.094 -29.751 1.00 1.16 H new ATOM 0 HE ARG A 58 58.517 53.915 -31.849 1.00 1.10 H new ATOM 0 HH11 ARG A 58 58.311 53.896 -28.502 1.00 1.52 H new ATOM 0 HH12 ARG A 58 59.381 55.276 -28.236 1.00 1.52 H new ATOM 0 HH21 ARG A 58 60.468 55.393 -31.557 1.00 1.91 H new ATOM 0 HH22 ARG A 58 60.591 56.116 -29.949 1.00 1.91 H new ATOM 935 N CYS A 59 62.855 51.032 -33.842 1.00 0.44 N ATOM 936 CA CYS A 59 63.289 51.534 -35.181 1.00 0.47 C ATOM 937 C CYS A 59 62.535 50.821 -36.315 1.00 0.60 C ATOM 938 O CYS A 59 62.743 51.105 -37.477 1.00 1.14 O ATOM 939 CB CYS A 59 64.787 51.223 -35.254 1.00 0.42 C ATOM 940 SG CYS A 59 65.038 49.438 -35.160 1.00 0.84 S ATOM 0 H CYS A 59 63.322 50.182 -33.525 1.00 0.44 H new ATOM 0 HA CYS A 59 63.080 52.597 -35.298 1.00 0.47 H new ATOM 0 HB2 CYS A 59 65.205 51.611 -36.183 1.00 0.42 H new ATOM 0 HB3 CYS A 59 65.312 51.718 -34.437 1.00 0.42 H new ATOM 945 N ASN A 60 61.657 49.906 -35.997 1.00 0.52 N ATOM 946 CA ASN A 60 60.900 49.203 -37.079 1.00 0.55 C ATOM 947 C ASN A 60 59.394 49.422 -36.902 1.00 0.71 C ATOM 948 O ASN A 60 58.673 48.439 -36.841 1.00 1.39 O ATOM 949 CB ASN A 60 61.255 47.719 -36.943 1.00 0.41 C ATOM 950 CG ASN A 60 60.568 47.122 -35.711 1.00 0.36 C ATOM 951 OD1 ASN A 60 60.651 47.671 -34.629 1.00 0.43 O ATOM 952 ND2 ASN A 60 59.903 45.999 -35.825 1.00 0.40 N ATOM 953 OXT ASN A 60 58.987 50.570 -36.835 1.00 1.25 O ATOM 0 H ASN A 60 61.432 49.616 -35.045 1.00 0.52 H new ATOM 0 HA ASN A 60 61.161 49.582 -38.067 1.00 0.55 H new ATOM 0 HB2 ASN A 60 60.945 47.180 -37.838 1.00 0.41 H new ATOM 0 HB3 ASN A 60 62.335 47.602 -36.858 1.00 0.41 H new ATOM 0 HD21 ASN A 60 59.455 45.586 -35.007 1.00 0.40 H new ATOM 0 HD22 ASN A 60 59.833 45.538 -36.732 1.00 0.40 H new TER 960 ASN A 60