USER MOD reduce.3.24.130724 H: found=0, std=0, add=494, rem=0, adj=14 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 19 ASN : amide:sc= -2.62! C(o=-4.2!,f=-2.3!) USER MOD Set 1.2: A 55 ASN : amide:sc= -1.61 K(o=-4.2,f=-9.5!) USER MOD Single : A 1 LEU N :NH3+ -112:sc= -0.0683 (180deg=-1.12) USER MOD Single : A 2 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.0568) USER MOD Single : A 4 ASN : amide:sc= -3.79! C(o=-3.8!,f=-4.3!) USER MOD Single : A 5 LYS NZ :NH3+ -142:sc= -3.27 (180deg=-5.51!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 167:sc= -1.4 (180deg=-2.09) USER MOD Single : A 22 TYR OH : rot 30:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 155:sc= -13.4! (180deg=-16!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.729) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 170:sc= -0.155 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -120:sc= 0.0206 USER MOD Single : A 56 THR OG1 : rot 42:sc= -1.58! USER MOD Single : A 60 ASN : amide:sc= -11.6! C(o=-12!,f=-24!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 66.674 46.404 -24.882 1.00 1.26 N ATOM 2 CA LEU A 1 65.810 47.376 -25.615 1.00 0.65 C ATOM 3 C LEU A 1 64.552 46.686 -26.160 1.00 0.58 C ATOM 4 O LEU A 1 64.285 45.534 -25.871 1.00 0.77 O ATOM 5 CB LEU A 1 66.676 47.915 -26.760 1.00 1.19 C ATOM 6 CG LEU A 1 66.978 46.808 -27.780 1.00 1.07 C ATOM 7 CD1 LEU A 1 65.946 46.848 -28.908 1.00 1.38 C ATOM 8 CD2 LEU A 1 68.371 47.039 -28.374 1.00 1.53 C ATOM 0 H1 LEU A 1 66.676 46.637 -23.868 1.00 1.26 H new ATOM 0 H2 LEU A 1 66.304 45.441 -25.015 1.00 1.26 H new ATOM 0 H3 LEU A 1 67.645 46.455 -25.251 1.00 1.26 H new ATOM 0 HA LEU A 1 65.464 48.177 -24.962 1.00 0.65 H new ATOM 0 HB2 LEU A 1 66.163 48.740 -27.253 1.00 1.19 H new ATOM 0 HB3 LEU A 1 67.609 48.313 -26.361 1.00 1.19 H new ATOM 0 HG LEU A 1 66.937 45.839 -27.283 1.00 1.07 H new ATOM 0 HD11 LEU A 1 66.165 46.061 -29.629 1.00 1.38 H new ATOM 0 HD12 LEU A 1 64.949 46.695 -28.495 1.00 1.38 H new ATOM 0 HD13 LEU A 1 65.988 47.817 -29.405 1.00 1.38 H new ATOM 0 HD21 LEU A 1 68.592 46.256 -29.099 1.00 1.53 H new ATOM 0 HD22 LEU A 1 68.399 48.010 -28.868 1.00 1.53 H new ATOM 0 HD23 LEU A 1 69.115 47.016 -27.577 1.00 1.53 H new ATOM 22 N LYS A 2 63.781 47.390 -26.947 1.00 0.45 N ATOM 23 CA LYS A 2 62.533 46.800 -27.520 1.00 0.53 C ATOM 24 C LYS A 2 62.320 47.322 -28.948 1.00 0.43 C ATOM 25 O LYS A 2 62.852 48.346 -29.324 1.00 0.59 O ATOM 26 CB LYS A 2 61.405 47.269 -26.591 1.00 0.71 C ATOM 27 CG LYS A 2 61.492 48.784 -26.372 1.00 1.14 C ATOM 28 CD LYS A 2 61.055 49.126 -24.946 1.00 1.23 C ATOM 29 CE LYS A 2 62.255 49.647 -24.150 1.00 1.98 C ATOM 30 NZ LYS A 2 62.476 51.040 -24.627 1.00 2.63 N ATOM 0 H LYS A 2 63.963 48.356 -27.220 1.00 0.45 H new ATOM 0 HA LYS A 2 62.573 45.712 -27.581 1.00 0.53 H new ATOM 0 HB2 LYS A 2 60.438 47.012 -27.023 1.00 0.71 H new ATOM 0 HB3 LYS A 2 61.474 46.752 -25.634 1.00 0.71 H new ATOM 0 HG2 LYS A 2 62.512 49.128 -26.542 1.00 1.14 H new ATOM 0 HG3 LYS A 2 60.857 49.302 -27.091 1.00 1.14 H new ATOM 0 HD2 LYS A 2 60.266 49.878 -24.967 1.00 1.23 H new ATOM 0 HD3 LYS A 2 60.640 48.243 -24.461 1.00 1.23 H new ATOM 0 HE2 LYS A 2 62.054 49.626 -23.079 1.00 1.98 H new ATOM 0 HE3 LYS A 2 63.137 49.029 -24.321 1.00 1.98 H new ATOM 0 HZ1 LYS A 2 63.453 51.139 -24.970 1.00 2.63 H new ATOM 0 HZ2 LYS A 2 61.815 51.251 -25.401 1.00 2.63 H new ATOM 0 HZ3 LYS A 2 62.315 51.705 -23.844 1.00 2.63 H new ATOM 44 N CYS A 3 61.557 46.625 -29.752 1.00 0.40 N ATOM 45 CA CYS A 3 61.335 47.095 -31.155 1.00 0.40 C ATOM 46 C CYS A 3 59.849 47.368 -31.416 1.00 0.40 C ATOM 47 O CYS A 3 58.983 46.638 -30.975 1.00 0.44 O ATOM 48 CB CYS A 3 61.825 45.953 -32.043 1.00 0.54 C ATOM 49 SG CYS A 3 63.629 46.011 -32.155 1.00 0.68 S ATOM 0 H CYS A 3 61.082 45.758 -29.501 1.00 0.40 H new ATOM 0 HA CYS A 3 61.863 48.028 -31.351 1.00 0.40 H new ATOM 0 HB2 CYS A 3 61.506 44.995 -31.632 1.00 0.54 H new ATOM 0 HB3 CYS A 3 61.385 46.036 -33.037 1.00 0.54 H new ATOM 54 N ASN A 4 59.555 48.414 -32.147 1.00 0.43 N ATOM 55 CA ASN A 4 58.134 48.740 -32.465 1.00 0.49 C ATOM 56 C ASN A 4 57.400 47.479 -32.915 1.00 0.49 C ATOM 57 O ASN A 4 57.914 46.713 -33.705 1.00 0.55 O ATOM 58 CB ASN A 4 58.223 49.721 -33.638 1.00 0.60 C ATOM 59 CG ASN A 4 57.261 50.890 -33.428 1.00 0.99 C ATOM 60 OD1 ASN A 4 56.165 50.715 -32.932 1.00 1.93 O ATOM 61 ND2 ASN A 4 57.629 52.087 -33.802 1.00 1.09 N ATOM 0 H ASN A 4 60.242 49.058 -32.538 1.00 0.43 H new ATOM 0 HA ASN A 4 57.598 49.148 -31.608 1.00 0.49 H new ATOM 0 HB2 ASN A 4 59.243 50.093 -33.732 1.00 0.60 H new ATOM 0 HB3 ASN A 4 57.984 49.207 -34.569 1.00 0.60 H new ATOM 0 HD21 ASN A 4 56.996 52.877 -33.678 1.00 1.09 H new ATOM 0 HD22 ASN A 4 58.549 52.231 -34.218 1.00 1.09 H new ATOM 68 N LYS A 5 56.195 47.256 -32.459 1.00 0.52 N ATOM 69 CA LYS A 5 55.479 46.053 -32.942 1.00 0.60 C ATOM 70 C LYS A 5 54.691 46.452 -34.192 1.00 0.71 C ATOM 71 O LYS A 5 54.721 47.593 -34.607 1.00 1.48 O ATOM 72 CB LYS A 5 54.578 45.558 -31.779 1.00 0.68 C ATOM 73 CG LYS A 5 53.094 45.906 -32.019 1.00 1.03 C ATOM 74 CD LYS A 5 52.161 44.876 -31.347 1.00 1.48 C ATOM 75 CE LYS A 5 52.679 43.446 -31.543 1.00 1.84 C ATOM 76 NZ LYS A 5 53.047 43.341 -32.982 1.00 2.49 N ATOM 0 H LYS A 5 55.692 47.840 -31.791 1.00 0.52 H new ATOM 0 HA LYS A 5 56.143 45.235 -33.223 1.00 0.60 H new ATOM 0 HB2 LYS A 5 54.686 44.479 -31.669 1.00 0.68 H new ATOM 0 HB3 LYS A 5 54.911 46.008 -30.844 1.00 0.68 H new ATOM 0 HG2 LYS A 5 52.883 46.901 -31.627 1.00 1.03 H new ATOM 0 HG3 LYS A 5 52.894 45.937 -33.090 1.00 1.03 H new ATOM 0 HD2 LYS A 5 52.082 45.094 -30.282 1.00 1.48 H new ATOM 0 HD3 LYS A 5 51.158 44.963 -31.765 1.00 1.48 H new ATOM 0 HE2 LYS A 5 53.540 43.251 -30.904 1.00 1.84 H new ATOM 0 HE3 LYS A 5 51.915 42.714 -31.280 1.00 1.84 H new ATOM 0 HZ1 LYS A 5 52.790 42.398 -33.338 1.00 2.49 H new ATOM 0 HZ2 LYS A 5 52.537 44.067 -33.525 1.00 2.49 H new ATOM 0 HZ3 LYS A 5 54.071 43.484 -33.090 1.00 2.49 H new ATOM 90 N LEU A 6 54.013 45.530 -34.808 1.00 0.53 N ATOM 91 CA LEU A 6 53.259 45.868 -36.042 1.00 0.57 C ATOM 92 C LEU A 6 52.549 47.228 -35.904 1.00 0.62 C ATOM 93 O LEU A 6 52.601 48.045 -36.804 1.00 0.72 O ATOM 94 CB LEU A 6 52.275 44.719 -36.237 1.00 0.59 C ATOM 95 CG LEU A 6 52.618 43.994 -37.543 1.00 0.70 C ATOM 96 CD1 LEU A 6 51.746 42.749 -37.699 1.00 1.22 C ATOM 97 CD2 LEU A 6 52.375 44.940 -38.723 1.00 0.78 C ATOM 0 H LEU A 6 53.948 44.556 -34.511 1.00 0.53 H new ATOM 0 HA LEU A 6 53.913 45.975 -36.908 1.00 0.57 H new ATOM 0 HB2 LEU A 6 52.330 44.028 -35.396 1.00 0.59 H new ATOM 0 HB3 LEU A 6 51.254 45.098 -36.272 1.00 0.59 H new ATOM 0 HG LEU A 6 53.665 43.691 -37.521 1.00 0.70 H new ATOM 0 HD11 LEU A 6 51.999 42.242 -38.630 1.00 1.22 H new ATOM 0 HD12 LEU A 6 51.921 42.075 -36.860 1.00 1.22 H new ATOM 0 HD13 LEU A 6 50.696 43.040 -37.718 1.00 1.22 H new ATOM 0 HD21 LEU A 6 52.618 44.429 -39.655 1.00 0.78 H new ATOM 0 HD22 LEU A 6 51.328 45.243 -38.737 1.00 0.78 H new ATOM 0 HD23 LEU A 6 53.006 45.822 -38.618 1.00 0.78 H new ATOM 109 N VAL A 7 51.899 47.503 -34.797 1.00 0.61 N ATOM 110 CA VAL A 7 51.229 48.826 -34.663 1.00 0.71 C ATOM 111 C VAL A 7 52.210 49.852 -34.073 1.00 0.70 C ATOM 112 O VAL A 7 52.906 49.556 -33.124 1.00 0.62 O ATOM 113 CB VAL A 7 50.063 48.600 -33.704 1.00 0.73 C ATOM 114 CG1 VAL A 7 49.326 49.922 -33.478 1.00 0.93 C ATOM 115 CG2 VAL A 7 49.098 47.582 -34.307 1.00 0.79 C ATOM 0 H VAL A 7 51.807 46.878 -33.996 1.00 0.61 H new ATOM 0 HA VAL A 7 50.891 49.211 -35.625 1.00 0.71 H new ATOM 0 HB VAL A 7 50.443 48.225 -32.754 1.00 0.73 H new ATOM 0 HG11 VAL A 7 48.493 49.762 -32.793 1.00 0.93 H new ATOM 0 HG12 VAL A 7 50.012 50.653 -33.050 1.00 0.93 H new ATOM 0 HG13 VAL A 7 48.947 50.295 -34.430 1.00 0.93 H new ATOM 0 HG21 VAL A 7 48.265 47.420 -33.623 1.00 0.79 H new ATOM 0 HG22 VAL A 7 48.719 47.958 -35.257 1.00 0.79 H new ATOM 0 HG23 VAL A 7 49.620 46.639 -34.472 1.00 0.79 H new ATOM 125 N PRO A 8 52.236 51.033 -34.645 1.00 0.84 N ATOM 126 CA PRO A 8 53.142 52.106 -34.155 1.00 0.91 C ATOM 127 C PRO A 8 52.726 52.618 -32.765 1.00 0.92 C ATOM 128 O PRO A 8 53.268 53.591 -32.275 1.00 1.21 O ATOM 129 CB PRO A 8 52.958 53.204 -35.209 1.00 1.09 C ATOM 130 CG PRO A 8 51.948 52.713 -36.265 1.00 1.12 C ATOM 131 CD PRO A 8 51.386 51.359 -35.812 1.00 0.97 C ATOM 0 HA PRO A 8 54.172 51.769 -34.038 1.00 0.91 H new ATOM 0 HB2 PRO A 8 52.599 54.121 -34.741 1.00 1.09 H new ATOM 0 HB3 PRO A 8 53.912 53.439 -35.680 1.00 1.09 H new ATOM 0 HG2 PRO A 8 51.142 53.437 -36.383 1.00 1.12 H new ATOM 0 HG3 PRO A 8 52.433 52.615 -37.236 1.00 1.12 H new ATOM 0 HD2 PRO A 8 50.333 51.427 -35.540 1.00 0.97 H new ATOM 0 HD3 PRO A 8 51.465 50.605 -36.595 1.00 0.97 H new ATOM 139 N LEU A 9 51.772 51.991 -32.128 1.00 0.78 N ATOM 140 CA LEU A 9 51.339 52.460 -30.789 1.00 0.82 C ATOM 141 C LEU A 9 52.087 51.702 -29.681 1.00 0.72 C ATOM 142 O LEU A 9 52.335 52.231 -28.616 1.00 0.84 O ATOM 143 CB LEU A 9 49.842 52.159 -30.743 1.00 0.87 C ATOM 144 CG LEU A 9 49.069 53.246 -31.493 1.00 1.12 C ATOM 145 CD1 LEU A 9 48.800 52.776 -32.921 1.00 1.82 C ATOM 146 CD2 LEU A 9 47.733 53.506 -30.790 1.00 1.60 C ATOM 0 H LEU A 9 51.276 51.173 -32.482 1.00 0.78 H new ATOM 0 HA LEU A 9 51.550 53.517 -30.630 1.00 0.82 H new ATOM 0 HB2 LEU A 9 49.644 51.185 -31.191 1.00 0.87 H new ATOM 0 HB3 LEU A 9 49.504 52.109 -29.708 1.00 0.87 H new ATOM 0 HG LEU A 9 49.657 54.164 -31.508 1.00 1.12 H new ATOM 0 HD11 LEU A 9 48.249 53.547 -33.460 1.00 1.82 H new ATOM 0 HD12 LEU A 9 49.747 52.586 -33.426 1.00 1.82 H new ATOM 0 HD13 LEU A 9 48.211 51.859 -32.897 1.00 1.82 H new ATOM 0 HD21 LEU A 9 47.184 54.281 -31.326 1.00 1.60 H new ATOM 0 HD22 LEU A 9 47.145 52.588 -30.776 1.00 1.60 H new ATOM 0 HD23 LEU A 9 47.918 53.834 -29.767 1.00 1.60 H new ATOM 158 N PHE A 10 52.446 50.466 -29.916 1.00 0.57 N ATOM 159 CA PHE A 10 53.170 49.691 -28.859 1.00 0.55 C ATOM 160 C PHE A 10 54.312 48.871 -29.470 1.00 0.49 C ATOM 161 O PHE A 10 54.483 48.821 -30.673 1.00 0.52 O ATOM 162 CB PHE A 10 52.125 48.766 -28.206 1.00 0.62 C ATOM 163 CG PHE A 10 50.940 48.539 -29.128 1.00 0.64 C ATOM 164 CD1 PHE A 10 50.019 49.568 -29.359 1.00 0.77 C ATOM 165 CD2 PHE A 10 50.759 47.297 -29.740 1.00 0.75 C ATOM 166 CE1 PHE A 10 48.922 49.352 -30.204 1.00 0.92 C ATOM 167 CE2 PHE A 10 49.662 47.080 -30.584 1.00 0.89 C ATOM 168 CZ PHE A 10 48.742 48.109 -30.816 1.00 0.94 C ATOM 0 H PHE A 10 52.272 49.962 -30.785 1.00 0.57 H new ATOM 0 HA PHE A 10 53.620 50.358 -28.124 1.00 0.55 H new ATOM 0 HB2 PHE A 10 52.586 47.809 -27.959 1.00 0.62 H new ATOM 0 HB3 PHE A 10 51.781 49.205 -27.269 1.00 0.62 H new ATOM 0 HD1 PHE A 10 50.154 50.529 -28.885 1.00 0.77 H new ATOM 0 HD2 PHE A 10 51.467 46.501 -29.562 1.00 0.75 H new ATOM 0 HE1 PHE A 10 48.214 50.148 -30.382 1.00 0.92 H new ATOM 0 HE2 PHE A 10 49.526 46.118 -31.056 1.00 0.89 H new ATOM 0 HZ PHE A 10 47.896 47.943 -31.466 1.00 0.94 H new ATOM 178 N TYR A 11 55.107 48.232 -28.648 1.00 0.47 N ATOM 179 CA TYR A 11 56.244 47.427 -29.187 1.00 0.44 C ATOM 180 C TYR A 11 56.463 46.154 -28.369 1.00 0.49 C ATOM 181 O TYR A 11 55.720 45.844 -27.458 1.00 0.62 O ATOM 182 CB TYR A 11 57.467 48.335 -29.063 1.00 0.42 C ATOM 183 CG TYR A 11 57.481 49.005 -27.703 1.00 0.44 C ATOM 184 CD1 TYR A 11 57.484 48.238 -26.531 1.00 0.69 C ATOM 185 CD2 TYR A 11 57.491 50.403 -27.619 1.00 0.70 C ATOM 186 CE1 TYR A 11 57.494 48.866 -25.280 1.00 0.80 C ATOM 187 CE2 TYR A 11 57.500 51.030 -26.366 1.00 0.76 C ATOM 188 CZ TYR A 11 57.503 50.260 -25.197 1.00 0.67 C ATOM 189 OH TYR A 11 57.516 50.874 -23.961 1.00 0.83 O ATOM 0 H TYR A 11 55.018 48.233 -27.632 1.00 0.47 H new ATOM 0 HA TYR A 11 56.053 47.112 -30.213 1.00 0.44 H new ATOM 0 HB2 TYR A 11 58.378 47.752 -29.200 1.00 0.42 H new ATOM 0 HB3 TYR A 11 57.451 49.090 -29.849 1.00 0.42 H new ATOM 0 HD1 TYR A 11 57.479 47.160 -26.593 1.00 0.69 H new ATOM 0 HD2 TYR A 11 57.492 50.998 -28.520 1.00 0.70 H new ATOM 0 HE1 TYR A 11 57.495 48.272 -24.378 1.00 0.80 H new ATOM 0 HE2 TYR A 11 57.505 52.108 -26.302 1.00 0.76 H new ATOM 0 HH TYR A 11 57.522 51.847 -24.079 1.00 0.83 H new ATOM 199 N LYS A 12 57.503 45.430 -28.683 1.00 0.50 N ATOM 200 CA LYS A 12 57.817 44.189 -27.927 1.00 0.59 C ATOM 201 C LYS A 12 59.246 44.284 -27.391 1.00 0.49 C ATOM 202 O LYS A 12 60.059 45.028 -27.903 1.00 0.49 O ATOM 203 CB LYS A 12 57.691 43.054 -28.944 1.00 0.74 C ATOM 204 CG LYS A 12 56.243 42.956 -29.422 1.00 1.20 C ATOM 205 CD LYS A 12 55.736 41.521 -29.229 1.00 1.50 C ATOM 206 CE LYS A 12 54.573 41.261 -30.185 1.00 1.68 C ATOM 207 NZ LYS A 12 54.735 39.853 -30.633 1.00 2.19 N ATOM 0 H LYS A 12 58.153 45.649 -29.438 1.00 0.50 H new ATOM 0 HA LYS A 12 57.155 44.029 -27.076 1.00 0.59 H new ATOM 0 HB2 LYS A 12 58.353 43.235 -29.791 1.00 0.74 H new ATOM 0 HB3 LYS A 12 58.001 42.111 -28.493 1.00 0.74 H new ATOM 0 HG2 LYS A 12 55.617 43.652 -28.864 1.00 1.20 H new ATOM 0 HG3 LYS A 12 56.176 43.238 -30.473 1.00 1.20 H new ATOM 0 HD2 LYS A 12 56.541 40.811 -29.417 1.00 1.50 H new ATOM 0 HD3 LYS A 12 55.414 41.373 -28.198 1.00 1.50 H new ATOM 0 HE2 LYS A 12 53.615 41.406 -29.686 1.00 1.68 H new ATOM 0 HE3 LYS A 12 54.599 41.948 -31.031 1.00 1.68 H new ATOM 0 HZ1 LYS A 12 53.969 39.608 -31.292 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 55.652 39.744 -31.112 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 54.698 39.220 -29.809 1.00 2.19 H new ATOM 221 N THR A 13 59.565 43.551 -26.366 1.00 0.64 N ATOM 222 CA THR A 13 60.946 43.625 -25.816 1.00 0.62 C ATOM 223 C THR A 13 61.746 42.389 -26.225 1.00 0.66 C ATOM 224 O THR A 13 61.199 41.331 -26.451 1.00 0.75 O ATOM 225 CB THR A 13 60.770 43.676 -24.298 1.00 0.70 C ATOM 226 OG1 THR A 13 59.489 44.207 -23.986 1.00 1.06 O ATOM 227 CG2 THR A 13 61.856 44.562 -23.689 1.00 1.08 C ATOM 0 H THR A 13 58.936 42.907 -25.886 1.00 0.64 H new ATOM 0 HA THR A 13 61.492 44.492 -26.189 1.00 0.62 H new ATOM 0 HB THR A 13 60.853 42.669 -23.888 1.00 0.70 H new ATOM 0 HG1 THR A 13 59.376 44.238 -23.013 1.00 1.06 H new ATOM 0 HG21 THR A 13 61.731 44.599 -22.607 1.00 1.08 H new ATOM 0 HG22 THR A 13 62.837 44.151 -23.927 1.00 1.08 H new ATOM 0 HG23 THR A 13 61.776 45.569 -24.098 1.00 1.08 H new ATOM 235 N CYS A 14 63.041 42.519 -26.320 1.00 0.65 N ATOM 236 CA CYS A 14 63.875 41.351 -26.711 1.00 0.76 C ATOM 237 C CYS A 14 65.208 41.383 -25.949 1.00 0.87 C ATOM 238 O CYS A 14 65.761 42.438 -25.719 1.00 0.99 O ATOM 239 CB CYS A 14 64.073 41.495 -28.220 1.00 0.75 C ATOM 240 SG CYS A 14 62.448 41.552 -29.031 1.00 1.34 S ATOM 0 H CYS A 14 63.555 43.382 -26.144 1.00 0.65 H new ATOM 0 HA CYS A 14 63.411 40.395 -26.469 1.00 0.76 H new ATOM 0 HB2 CYS A 14 64.635 42.402 -28.440 1.00 0.75 H new ATOM 0 HB3 CYS A 14 64.656 40.658 -28.604 1.00 0.75 H new ATOM 245 N PRO A 15 65.660 40.219 -25.545 1.00 1.06 N ATOM 246 CA PRO A 15 66.913 40.107 -24.759 1.00 1.31 C ATOM 247 C PRO A 15 68.145 40.543 -25.555 1.00 1.16 C ATOM 248 O PRO A 15 68.053 41.071 -26.646 1.00 1.40 O ATOM 249 CB PRO A 15 66.980 38.610 -24.452 1.00 1.54 C ATOM 250 CG PRO A 15 65.763 37.914 -25.080 1.00 1.54 C ATOM 251 CD PRO A 15 64.947 38.955 -25.848 1.00 1.24 C ATOM 0 HA PRO A 15 66.909 40.748 -23.878 1.00 1.31 H new ATOM 0 HB2 PRO A 15 67.902 38.186 -24.849 1.00 1.54 H new ATOM 0 HB3 PRO A 15 66.992 38.447 -23.374 1.00 1.54 H new ATOM 0 HG2 PRO A 15 66.087 37.118 -25.750 1.00 1.54 H new ATOM 0 HG3 PRO A 15 65.152 37.450 -24.306 1.00 1.54 H new ATOM 0 HD2 PRO A 15 64.930 38.747 -26.918 1.00 1.24 H new ATOM 0 HD3 PRO A 15 63.910 38.985 -25.512 1.00 1.24 H new ATOM 259 N ALA A 16 69.305 40.311 -24.998 1.00 1.32 N ATOM 260 CA ALA A 16 70.570 40.689 -25.687 1.00 1.21 C ATOM 261 C ALA A 16 70.725 39.871 -26.975 1.00 0.92 C ATOM 262 O ALA A 16 69.922 39.006 -27.272 1.00 1.02 O ATOM 263 CB ALA A 16 71.673 40.345 -24.682 1.00 1.58 C ATOM 0 H ALA A 16 69.429 39.871 -24.086 1.00 1.32 H new ATOM 0 HA ALA A 16 70.599 41.739 -25.977 1.00 1.21 H new ATOM 0 HB1 ALA A 16 72.645 40.593 -25.109 1.00 1.58 H new ATOM 0 HB2 ALA A 16 71.523 40.917 -23.767 1.00 1.58 H new ATOM 0 HB3 ALA A 16 71.638 39.280 -24.454 1.00 1.58 H new ATOM 269 N GLY A 17 71.745 40.138 -27.747 1.00 0.84 N ATOM 270 CA GLY A 17 71.933 39.375 -29.016 1.00 0.75 C ATOM 271 C GLY A 17 70.928 39.869 -30.066 1.00 0.63 C ATOM 272 O GLY A 17 70.902 39.403 -31.189 1.00 0.83 O ATOM 0 H GLY A 17 72.453 40.847 -27.556 1.00 0.84 H new ATOM 0 HA2 GLY A 17 72.951 39.505 -29.383 1.00 0.75 H new ATOM 0 HA3 GLY A 17 71.792 38.309 -28.836 1.00 0.75 H new ATOM 276 N LYS A 18 70.106 40.818 -29.707 1.00 0.60 N ATOM 277 CA LYS A 18 69.107 41.366 -30.667 1.00 0.58 C ATOM 278 C LYS A 18 68.942 42.863 -30.392 1.00 0.59 C ATOM 279 O LYS A 18 68.448 43.258 -29.357 1.00 0.88 O ATOM 280 CB LYS A 18 67.809 40.603 -30.376 1.00 0.71 C ATOM 281 CG LYS A 18 66.931 40.569 -31.629 1.00 1.60 C ATOM 282 CD LYS A 18 65.870 39.479 -31.466 1.00 2.39 C ATOM 283 CE LYS A 18 66.328 38.207 -32.185 1.00 2.98 C ATOM 284 NZ LYS A 18 67.512 37.740 -31.412 1.00 3.59 N ATOM 0 H LYS A 18 70.085 41.241 -28.779 1.00 0.60 H new ATOM 0 HA LYS A 18 69.399 41.250 -31.711 1.00 0.58 H new ATOM 0 HB2 LYS A 18 68.039 39.587 -30.055 1.00 0.71 H new ATOM 0 HB3 LYS A 18 67.271 41.082 -29.558 1.00 0.71 H new ATOM 0 HG2 LYS A 18 66.455 41.538 -31.781 1.00 1.60 H new ATOM 0 HG3 LYS A 18 67.541 40.372 -32.511 1.00 1.60 H new ATOM 0 HD2 LYS A 18 65.706 39.272 -30.408 1.00 2.39 H new ATOM 0 HD3 LYS A 18 64.919 39.819 -31.876 1.00 2.39 H new ATOM 0 HE2 LYS A 18 65.540 37.453 -32.196 1.00 2.98 H new ATOM 0 HE3 LYS A 18 66.589 38.411 -33.223 1.00 2.98 H new ATOM 0 HZ1 LYS A 18 67.752 36.769 -31.697 1.00 3.59 H new ATOM 0 HZ2 LYS A 18 68.320 38.366 -31.603 1.00 3.59 H new ATOM 0 HZ3 LYS A 18 67.292 37.758 -30.396 1.00 3.59 H new ATOM 298 N ASN A 19 69.369 43.702 -31.297 1.00 0.40 N ATOM 299 CA ASN A 19 69.254 45.159 -31.072 1.00 0.50 C ATOM 300 C ASN A 19 68.539 45.789 -32.255 1.00 0.47 C ATOM 301 O ASN A 19 68.135 46.933 -32.207 1.00 0.60 O ATOM 302 CB ASN A 19 70.697 45.656 -30.993 1.00 0.65 C ATOM 303 CG ASN A 19 71.514 45.020 -32.122 1.00 1.16 C ATOM 304 OD1 ASN A 19 71.762 45.642 -33.136 1.00 1.93 O ATOM 305 ND2 ASN A 19 71.939 43.790 -31.989 1.00 1.75 N ATOM 0 H ASN A 19 69.794 43.433 -32.185 1.00 0.40 H new ATOM 0 HA ASN A 19 68.690 45.410 -30.173 1.00 0.50 H new ATOM 0 HB2 ASN A 19 70.725 46.742 -31.076 1.00 0.65 H new ATOM 0 HB3 ASN A 19 71.130 45.399 -30.026 1.00 0.65 H new ATOM 0 HD21 ASN A 19 72.478 43.353 -32.736 1.00 1.75 H new ATOM 0 HD22 ASN A 19 71.731 43.268 -31.138 1.00 1.75 H new ATOM 312 N LEU A 20 68.373 45.057 -33.325 1.00 0.40 N ATOM 313 CA LEU A 20 67.677 45.648 -34.484 1.00 0.48 C ATOM 314 C LEU A 20 66.185 45.384 -34.366 1.00 0.38 C ATOM 315 O LEU A 20 65.711 44.819 -33.403 1.00 0.56 O ATOM 316 CB LEU A 20 68.199 44.958 -35.757 1.00 0.64 C ATOM 317 CG LEU A 20 69.690 44.632 -35.667 1.00 0.77 C ATOM 318 CD1 LEU A 20 69.917 43.261 -36.297 1.00 1.13 C ATOM 319 CD2 LEU A 20 70.490 45.668 -36.458 1.00 1.34 C ATOM 0 H LEU A 20 68.686 44.093 -33.438 1.00 0.40 H new ATOM 0 HA LEU A 20 67.857 46.722 -34.522 1.00 0.48 H new ATOM 0 HB2 LEU A 20 67.638 44.039 -35.927 1.00 0.64 H new ATOM 0 HB3 LEU A 20 68.021 45.604 -36.617 1.00 0.64 H new ATOM 0 HG LEU A 20 70.010 44.640 -34.625 1.00 0.77 H new ATOM 0 HD11 LEU A 20 70.976 43.007 -36.244 1.00 1.13 H new ATOM 0 HD12 LEU A 20 69.337 42.512 -35.758 1.00 1.13 H new ATOM 0 HD13 LEU A 20 69.601 43.283 -37.340 1.00 1.13 H new ATOM 0 HD21 LEU A 20 71.553 45.434 -36.393 1.00 1.34 H new ATOM 0 HD22 LEU A 20 70.178 45.649 -37.502 1.00 1.34 H new ATOM 0 HD23 LEU A 20 70.311 46.660 -36.044 1.00 1.34 H new ATOM 331 N CYS A 21 65.459 45.761 -35.368 1.00 0.29 N ATOM 332 CA CYS A 21 63.989 45.529 -35.385 1.00 0.31 C ATOM 333 C CYS A 21 63.610 45.066 -36.789 1.00 0.32 C ATOM 334 O CYS A 21 64.060 45.631 -37.770 1.00 0.49 O ATOM 335 CB CYS A 21 63.355 46.880 -35.055 1.00 0.44 C ATOM 336 SG CYS A 21 64.012 47.492 -33.482 1.00 0.57 S ATOM 0 H CYS A 21 65.825 46.231 -36.196 1.00 0.29 H new ATOM 0 HA CYS A 21 63.656 44.773 -34.674 1.00 0.31 H new ATOM 0 HB2 CYS A 21 63.564 47.595 -35.851 1.00 0.44 H new ATOM 0 HB3 CYS A 21 62.271 46.779 -34.993 1.00 0.44 H new ATOM 341 N TYR A 22 62.831 44.025 -36.911 1.00 0.30 N ATOM 342 CA TYR A 22 62.497 43.532 -38.275 1.00 0.31 C ATOM 343 C TYR A 22 61.007 43.666 -38.625 1.00 0.31 C ATOM 344 O TYR A 22 60.165 42.981 -38.077 1.00 0.41 O ATOM 345 CB TYR A 22 62.912 42.062 -38.273 1.00 0.36 C ATOM 346 CG TYR A 22 61.935 41.248 -37.462 1.00 0.38 C ATOM 347 CD1 TYR A 22 62.019 41.241 -36.065 1.00 0.47 C ATOM 348 CD2 TYR A 22 60.950 40.493 -38.108 1.00 0.54 C ATOM 349 CE1 TYR A 22 61.116 40.480 -35.313 1.00 0.52 C ATOM 350 CE2 TYR A 22 60.045 39.731 -37.354 1.00 0.63 C ATOM 351 CZ TYR A 22 60.131 39.725 -35.956 1.00 0.55 C ATOM 352 OH TYR A 22 59.240 38.977 -35.211 1.00 0.66 O ATOM 0 H TYR A 22 62.418 43.503 -36.138 1.00 0.30 H new ATOM 0 HA TYR A 22 63.014 44.126 -39.028 1.00 0.31 H new ATOM 0 HB2 TYR A 22 62.950 41.686 -39.295 1.00 0.36 H new ATOM 0 HB3 TYR A 22 63.915 41.960 -37.858 1.00 0.36 H new ATOM 0 HD1 TYR A 22 62.781 41.823 -35.567 1.00 0.47 H new ATOM 0 HD2 TYR A 22 60.886 40.497 -39.186 1.00 0.54 H new ATOM 0 HE1 TYR A 22 61.181 40.476 -34.235 1.00 0.52 H new ATOM 0 HE2 TYR A 22 59.283 39.150 -37.851 1.00 0.63 H new ATOM 0 HH TYR A 22 59.095 39.409 -34.343 1.00 0.66 H new ATOM 362 N LYS A 23 60.683 44.500 -39.585 1.00 0.39 N ATOM 363 CA LYS A 23 59.258 44.618 -40.015 1.00 0.44 C ATOM 364 C LYS A 23 59.126 43.956 -41.395 1.00 0.45 C ATOM 365 O LYS A 23 59.585 44.478 -42.388 1.00 0.54 O ATOM 366 CB LYS A 23 58.927 46.121 -40.081 1.00 0.56 C ATOM 367 CG LYS A 23 59.855 46.861 -41.053 1.00 1.11 C ATOM 368 CD LYS A 23 59.436 48.335 -41.138 1.00 1.49 C ATOM 369 CE LYS A 23 58.765 48.600 -42.491 1.00 1.72 C ATOM 370 NZ LYS A 23 59.382 49.862 -42.992 1.00 2.18 N ATOM 0 H LYS A 23 61.340 45.099 -40.085 1.00 0.39 H new ATOM 0 HA LYS A 23 58.570 44.127 -39.327 1.00 0.44 H new ATOM 0 HB2 LYS A 23 57.891 46.253 -40.394 1.00 0.56 H new ATOM 0 HB3 LYS A 23 59.017 46.558 -39.087 1.00 0.56 H new ATOM 0 HG2 LYS A 23 60.889 46.785 -40.715 1.00 1.11 H new ATOM 0 HG3 LYS A 23 59.807 46.401 -42.040 1.00 1.11 H new ATOM 0 HD2 LYS A 23 58.749 48.576 -40.326 1.00 1.49 H new ATOM 0 HD3 LYS A 23 60.307 48.979 -41.020 1.00 1.49 H new ATOM 0 HE2 LYS A 23 58.936 47.776 -43.184 1.00 1.72 H new ATOM 0 HE3 LYS A 23 57.686 48.706 -42.381 1.00 1.72 H new ATOM 0 HZ1 LYS A 23 58.971 50.106 -43.916 1.00 2.18 H new ATOM 0 HZ2 LYS A 23 59.197 50.631 -42.316 1.00 2.18 H new ATOM 0 HZ3 LYS A 23 60.409 49.730 -43.094 1.00 2.18 H new ATOM 384 N MET A 24 58.557 42.784 -41.472 1.00 0.47 N ATOM 385 CA MET A 24 58.480 42.105 -42.801 1.00 0.53 C ATOM 386 C MET A 24 57.057 42.085 -43.367 1.00 0.53 C ATOM 387 O MET A 24 56.080 42.085 -42.645 1.00 0.59 O ATOM 388 CB MET A 24 59.012 40.692 -42.544 1.00 0.63 C ATOM 389 CG MET A 24 57.859 39.701 -42.358 1.00 0.99 C ATOM 390 SD MET A 24 58.480 38.166 -41.625 1.00 1.69 S ATOM 391 CE MET A 24 59.371 38.911 -40.237 1.00 2.37 C ATOM 0 H MET A 24 58.148 42.273 -40.689 1.00 0.47 H new ATOM 0 HA MET A 24 59.062 42.633 -43.556 1.00 0.53 H new ATOM 0 HB2 MET A 24 59.637 40.377 -43.379 1.00 0.63 H new ATOM 0 HB3 MET A 24 59.644 40.693 -41.656 1.00 0.63 H new ATOM 0 HG2 MET A 24 57.093 40.137 -41.717 1.00 0.99 H new ATOM 0 HG3 MET A 24 57.389 39.492 -43.319 1.00 0.99 H new ATOM 0 HE1 MET A 24 59.454 38.186 -39.427 1.00 2.37 H new ATOM 0 HE2 MET A 24 60.368 39.208 -40.562 1.00 2.37 H new ATOM 0 HE3 MET A 24 58.828 39.788 -39.885 1.00 2.37 H new ATOM 401 N PHE A 25 56.953 42.062 -44.671 1.00 0.53 N ATOM 402 CA PHE A 25 55.610 42.045 -45.336 1.00 0.58 C ATOM 403 C PHE A 25 55.679 41.316 -46.668 1.00 0.50 C ATOM 404 O PHE A 25 56.658 40.679 -47.001 1.00 0.49 O ATOM 405 CB PHE A 25 55.261 43.501 -45.634 1.00 0.70 C ATOM 406 CG PHE A 25 56.506 44.359 -45.617 1.00 0.61 C ATOM 407 CD1 PHE A 25 57.029 44.804 -44.403 1.00 0.78 C ATOM 408 CD2 PHE A 25 57.123 44.718 -46.814 1.00 0.84 C ATOM 409 CE1 PHE A 25 58.169 45.606 -44.381 1.00 0.83 C ATOM 410 CE2 PHE A 25 58.264 45.523 -46.798 1.00 0.86 C ATOM 411 CZ PHE A 25 58.783 45.974 -45.583 1.00 0.70 C ATOM 0 H PHE A 25 57.747 42.054 -45.311 1.00 0.53 H new ATOM 0 HA PHE A 25 54.882 41.549 -44.695 1.00 0.58 H new ATOM 0 HB2 PHE A 25 54.776 43.573 -46.608 1.00 0.70 H new ATOM 0 HB3 PHE A 25 54.549 43.869 -44.895 1.00 0.70 H new ATOM 0 HD1 PHE A 25 56.549 44.526 -43.476 1.00 0.78 H new ATOM 0 HD2 PHE A 25 56.719 44.374 -47.754 1.00 0.84 H new ATOM 0 HE1 PHE A 25 58.577 45.942 -43.439 1.00 0.83 H new ATOM 0 HE2 PHE A 25 58.745 45.797 -47.726 1.00 0.86 H new ATOM 0 HZ PHE A 25 59.658 46.607 -45.571 1.00 0.70 H new ATOM 421 N MET A 26 54.654 41.470 -47.458 1.00 0.56 N ATOM 422 CA MET A 26 54.659 40.866 -48.809 1.00 0.61 C ATOM 423 C MET A 26 55.218 41.930 -49.759 1.00 0.69 C ATOM 424 O MET A 26 54.609 42.966 -49.945 1.00 1.30 O ATOM 425 CB MET A 26 53.194 40.551 -49.128 1.00 0.72 C ATOM 426 CG MET A 26 52.850 39.149 -48.623 1.00 0.91 C ATOM 427 SD MET A 26 53.194 37.941 -49.927 1.00 1.46 S ATOM 428 CE MET A 26 53.122 36.458 -48.888 1.00 1.96 C ATOM 0 H MET A 26 53.811 41.992 -47.220 1.00 0.56 H new ATOM 0 HA MET A 26 55.259 39.960 -48.894 1.00 0.61 H new ATOM 0 HB2 MET A 26 52.542 41.288 -48.658 1.00 0.72 H new ATOM 0 HB3 MET A 26 53.024 40.614 -50.203 1.00 0.72 H new ATOM 0 HG2 MET A 26 53.435 38.917 -47.733 1.00 0.91 H new ATOM 0 HG3 MET A 26 51.800 39.101 -48.335 1.00 0.91 H new ATOM 0 HE1 MET A 26 53.309 35.576 -49.500 1.00 1.96 H new ATOM 0 HE2 MET A 26 53.878 36.525 -48.106 1.00 1.96 H new ATOM 0 HE3 MET A 26 52.135 36.381 -48.432 1.00 1.96 H new ATOM 438 N VAL A 27 56.384 41.709 -50.312 1.00 0.76 N ATOM 439 CA VAL A 27 57.009 42.732 -51.214 1.00 0.80 C ATOM 440 C VAL A 27 55.945 43.509 -51.992 1.00 0.91 C ATOM 441 O VAL A 27 56.102 44.681 -52.265 1.00 1.08 O ATOM 442 CB VAL A 27 57.916 41.936 -52.159 1.00 0.93 C ATOM 443 CG1 VAL A 27 58.394 42.837 -53.298 1.00 1.11 C ATOM 444 CG2 VAL A 27 59.128 41.427 -51.377 1.00 1.06 C ATOM 0 H VAL A 27 56.935 40.861 -50.179 1.00 0.76 H new ATOM 0 HA VAL A 27 57.569 43.478 -50.650 1.00 0.80 H new ATOM 0 HB VAL A 27 57.360 41.095 -52.574 1.00 0.93 H new ATOM 0 HG11 VAL A 27 59.038 42.267 -53.967 1.00 1.11 H new ATOM 0 HG12 VAL A 27 57.533 43.209 -53.853 1.00 1.11 H new ATOM 0 HG13 VAL A 27 58.952 43.678 -52.887 1.00 1.11 H new ATOM 0 HG21 VAL A 27 59.778 40.859 -52.043 1.00 1.06 H new ATOM 0 HG22 VAL A 27 59.678 42.274 -50.967 1.00 1.06 H new ATOM 0 HG23 VAL A 27 58.792 40.784 -50.563 1.00 1.06 H new ATOM 454 N ALA A 28 54.861 42.877 -52.338 1.00 0.94 N ATOM 455 CA ALA A 28 53.792 43.596 -53.089 1.00 1.10 C ATOM 456 C ALA A 28 53.501 44.958 -52.436 1.00 1.12 C ATOM 457 O ALA A 28 53.458 45.971 -53.102 1.00 1.33 O ATOM 458 CB ALA A 28 52.573 42.679 -53.013 1.00 1.15 C ATOM 0 H ALA A 28 54.667 41.896 -52.135 1.00 0.94 H new ATOM 0 HA ALA A 28 54.077 43.804 -54.120 1.00 1.10 H new ATOM 0 HB1 ALA A 28 51.739 43.138 -53.544 1.00 1.15 H new ATOM 0 HB2 ALA A 28 52.811 41.719 -53.471 1.00 1.15 H new ATOM 0 HB3 ALA A 28 52.298 42.525 -51.970 1.00 1.15 H new ATOM 464 N THR A 29 53.305 44.993 -51.141 1.00 1.00 N ATOM 465 CA THR A 29 53.018 46.299 -50.459 1.00 1.09 C ATOM 466 C THR A 29 53.985 46.517 -49.284 1.00 0.90 C ATOM 467 O THR A 29 53.680 46.152 -48.165 1.00 0.93 O ATOM 468 CB THR A 29 51.575 46.166 -49.949 1.00 1.33 C ATOM 469 OG1 THR A 29 50.676 46.270 -51.047 1.00 1.93 O ATOM 470 CG2 THR A 29 51.259 47.271 -48.930 1.00 1.85 C ATOM 0 H THR A 29 53.331 44.179 -50.527 1.00 1.00 H new ATOM 0 HA THR A 29 53.142 47.150 -51.129 1.00 1.09 H new ATOM 0 HB THR A 29 51.463 45.197 -49.464 1.00 1.33 H new ATOM 0 HG1 THR A 29 49.755 46.184 -50.725 1.00 1.93 H new ATOM 0 HG21 THR A 29 50.233 47.160 -48.580 1.00 1.85 H new ATOM 0 HG22 THR A 29 51.941 47.192 -48.084 1.00 1.85 H new ATOM 0 HG23 THR A 29 51.378 48.246 -49.402 1.00 1.85 H new ATOM 478 N PRO A 30 55.123 47.115 -49.568 1.00 0.99 N ATOM 479 CA PRO A 30 56.141 47.389 -48.515 1.00 1.03 C ATOM 480 C PRO A 30 55.734 48.572 -47.616 1.00 0.85 C ATOM 481 O PRO A 30 56.574 49.295 -47.119 1.00 0.90 O ATOM 482 CB PRO A 30 57.380 47.753 -49.344 1.00 1.44 C ATOM 483 CG PRO A 30 56.999 47.681 -50.840 1.00 1.67 C ATOM 484 CD PRO A 30 55.473 47.530 -50.943 1.00 1.36 C ATOM 0 HA PRO A 30 56.284 46.548 -47.836 1.00 1.03 H new ATOM 0 HB2 PRO A 30 57.728 48.754 -49.088 1.00 1.44 H new ATOM 0 HB3 PRO A 30 58.198 47.066 -49.127 1.00 1.44 H new ATOM 0 HG2 PRO A 30 57.327 48.581 -51.359 1.00 1.67 H new ATOM 0 HG3 PRO A 30 57.497 46.838 -51.318 1.00 1.67 H new ATOM 0 HD2 PRO A 30 54.987 48.464 -51.226 1.00 1.36 H new ATOM 0 HD3 PRO A 30 55.184 46.783 -51.683 1.00 1.36 H new ATOM 492 N LYS A 31 54.463 48.776 -47.402 1.00 0.96 N ATOM 493 CA LYS A 31 54.020 49.909 -46.541 1.00 1.02 C ATOM 494 C LYS A 31 53.292 49.383 -45.297 1.00 0.94 C ATOM 495 O LYS A 31 53.112 50.091 -44.325 1.00 1.09 O ATOM 496 CB LYS A 31 53.064 50.709 -47.420 1.00 1.39 C ATOM 497 CG LYS A 31 52.577 51.940 -46.655 1.00 1.90 C ATOM 498 CD LYS A 31 53.782 52.739 -46.154 1.00 2.38 C ATOM 499 CE LYS A 31 53.339 54.167 -45.825 1.00 2.81 C ATOM 500 NZ LYS A 31 54.592 54.977 -45.799 1.00 3.08 N ATOM 0 H LYS A 31 53.710 48.205 -47.787 1.00 0.96 H new ATOM 0 HA LYS A 31 54.856 50.511 -46.184 1.00 1.02 H new ATOM 0 HB2 LYS A 31 53.566 51.013 -48.338 1.00 1.39 H new ATOM 0 HB3 LYS A 31 52.216 50.089 -47.711 1.00 1.39 H new ATOM 0 HG2 LYS A 31 51.958 52.562 -47.302 1.00 1.90 H new ATOM 0 HG3 LYS A 31 51.954 51.636 -45.814 1.00 1.90 H new ATOM 0 HD2 LYS A 31 54.206 52.264 -45.269 1.00 2.38 H new ATOM 0 HD3 LYS A 31 54.564 52.754 -46.913 1.00 2.38 H new ATOM 0 HE2 LYS A 31 52.643 54.544 -46.574 1.00 2.81 H new ATOM 0 HE3 LYS A 31 52.826 54.207 -44.864 1.00 2.81 H new ATOM 0 HZ1 LYS A 31 54.361 55.967 -45.579 1.00 3.08 H new ATOM 0 HZ2 LYS A 31 55.233 54.601 -45.072 1.00 3.08 H new ATOM 0 HZ3 LYS A 31 55.056 54.928 -46.728 1.00 3.08 H new ATOM 514 N VAL A 32 52.877 48.146 -45.320 1.00 0.83 N ATOM 515 CA VAL A 32 52.169 47.571 -44.138 1.00 0.87 C ATOM 516 C VAL A 32 52.771 46.201 -43.799 1.00 0.69 C ATOM 517 O VAL A 32 52.338 45.190 -44.313 1.00 0.70 O ATOM 518 CB VAL A 32 50.707 47.439 -44.569 1.00 1.10 C ATOM 519 CG1 VAL A 32 49.857 46.997 -43.376 1.00 1.65 C ATOM 520 CG2 VAL A 32 50.204 48.794 -45.072 1.00 1.72 C ATOM 0 H VAL A 32 52.997 47.507 -46.106 1.00 0.83 H new ATOM 0 HA VAL A 32 52.262 48.192 -43.247 1.00 0.87 H new ATOM 0 HB VAL A 32 50.629 46.698 -45.364 1.00 1.10 H new ATOM 0 HG11 VAL A 32 48.816 46.904 -43.686 1.00 1.65 H new ATOM 0 HG12 VAL A 32 50.215 46.034 -43.011 1.00 1.65 H new ATOM 0 HG13 VAL A 32 49.934 47.738 -42.580 1.00 1.65 H new ATOM 0 HG21 VAL A 32 49.162 48.704 -45.380 1.00 1.72 H new ATOM 0 HG22 VAL A 32 50.284 49.531 -44.273 1.00 1.72 H new ATOM 0 HG23 VAL A 32 50.807 49.113 -45.922 1.00 1.72 H new ATOM 530 N PRO A 33 53.776 46.219 -42.953 1.00 0.67 N ATOM 531 CA PRO A 33 54.470 44.972 -42.556 1.00 0.65 C ATOM 532 C PRO A 33 53.538 43.978 -41.859 1.00 0.67 C ATOM 533 O PRO A 33 52.588 44.349 -41.198 1.00 0.79 O ATOM 534 CB PRO A 33 55.559 45.483 -41.600 1.00 0.82 C ATOM 535 CG PRO A 33 55.452 47.014 -41.505 1.00 0.91 C ATOM 536 CD PRO A 33 54.267 47.482 -42.356 1.00 0.84 C ATOM 0 HA PRO A 33 54.859 44.418 -43.410 1.00 0.65 H new ATOM 0 HB2 PRO A 33 55.438 45.034 -40.614 1.00 0.82 H new ATOM 0 HB3 PRO A 33 56.546 45.195 -41.962 1.00 0.82 H new ATOM 0 HG2 PRO A 33 55.315 47.319 -40.467 1.00 0.91 H new ATOM 0 HG3 PRO A 33 56.374 47.479 -41.854 1.00 0.91 H new ATOM 0 HD2 PRO A 33 53.502 47.969 -41.752 1.00 0.84 H new ATOM 0 HD3 PRO A 33 54.574 48.198 -43.119 1.00 0.84 H new ATOM 544 N VAL A 34 53.827 42.705 -41.999 1.00 0.64 N ATOM 545 CA VAL A 34 52.994 41.671 -41.341 1.00 0.72 C ATOM 546 C VAL A 34 53.633 41.287 -40.006 1.00 0.63 C ATOM 547 O VAL A 34 52.958 40.910 -39.071 1.00 0.79 O ATOM 548 CB VAL A 34 52.949 40.480 -42.300 1.00 0.84 C ATOM 549 CG1 VAL A 34 52.343 40.920 -43.638 1.00 1.32 C ATOM 550 CG2 VAL A 34 54.359 39.949 -42.535 1.00 1.19 C ATOM 0 H VAL A 34 54.610 42.345 -42.545 1.00 0.64 H new ATOM 0 HA VAL A 34 51.984 42.024 -41.131 1.00 0.72 H new ATOM 0 HB VAL A 34 52.336 39.693 -41.861 1.00 0.84 H new ATOM 0 HG11 VAL A 34 52.312 40.070 -44.320 1.00 1.32 H new ATOM 0 HG12 VAL A 34 51.331 41.292 -43.475 1.00 1.32 H new ATOM 0 HG13 VAL A 34 52.955 41.711 -44.072 1.00 1.32 H new ATOM 0 HG21 VAL A 34 54.319 39.101 -43.219 1.00 1.19 H new ATOM 0 HG22 VAL A 34 54.977 40.736 -42.968 1.00 1.19 H new ATOM 0 HG23 VAL A 34 54.790 39.630 -41.586 1.00 1.19 H new ATOM 560 N LYS A 35 54.933 41.407 -39.900 1.00 0.46 N ATOM 561 CA LYS A 35 55.604 41.079 -38.612 1.00 0.45 C ATOM 562 C LYS A 35 56.382 42.300 -38.129 1.00 0.39 C ATOM 563 O LYS A 35 56.916 43.053 -38.914 1.00 0.51 O ATOM 564 CB LYS A 35 56.574 39.937 -38.919 1.00 0.59 C ATOM 565 CG LYS A 35 55.912 38.591 -38.636 1.00 0.90 C ATOM 566 CD LYS A 35 56.975 37.609 -38.135 1.00 1.38 C ATOM 567 CE LYS A 35 56.306 36.308 -37.681 1.00 1.90 C ATOM 568 NZ LYS A 35 57.391 35.523 -37.022 1.00 2.50 N ATOM 0 H LYS A 35 55.553 41.717 -40.648 1.00 0.46 H new ATOM 0 HA LYS A 35 54.889 40.797 -37.839 1.00 0.45 H new ATOM 0 HB2 LYS A 35 56.885 39.985 -39.963 1.00 0.59 H new ATOM 0 HB3 LYS A 35 57.474 40.042 -38.313 1.00 0.59 H new ATOM 0 HG2 LYS A 35 55.126 38.707 -37.890 1.00 0.90 H new ATOM 0 HG3 LYS A 35 55.440 38.206 -39.540 1.00 0.90 H new ATOM 0 HD2 LYS A 35 57.694 37.402 -38.927 1.00 1.38 H new ATOM 0 HD3 LYS A 35 57.531 38.051 -37.308 1.00 1.38 H new ATOM 0 HE2 LYS A 35 55.487 36.506 -36.990 1.00 1.90 H new ATOM 0 HE3 LYS A 35 55.885 35.765 -38.527 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 57.008 34.617 -36.684 1.00 2.50 H new ATOM 0 HZ2 LYS A 35 58.154 35.343 -37.706 1.00 2.50 H new ATOM 0 HZ3 LYS A 35 57.768 36.061 -36.216 1.00 2.50 H new ATOM 582 N ARG A 36 56.455 42.500 -36.849 1.00 0.34 N ATOM 583 CA ARG A 36 57.208 43.670 -36.320 1.00 0.33 C ATOM 584 C ARG A 36 57.903 43.270 -35.020 1.00 0.36 C ATOM 585 O ARG A 36 57.304 43.299 -33.964 1.00 0.42 O ATOM 586 CB ARG A 36 56.158 44.731 -36.041 1.00 0.37 C ATOM 587 CG ARG A 36 56.636 46.099 -36.555 1.00 0.54 C ATOM 588 CD ARG A 36 56.359 46.222 -38.056 1.00 0.83 C ATOM 589 NE ARG A 36 55.222 47.183 -38.172 1.00 0.89 N ATOM 590 CZ ARG A 36 55.425 48.463 -38.007 1.00 1.07 C ATOM 591 NH1 ARG A 36 55.970 49.166 -38.961 1.00 1.27 N ATOM 592 NH2 ARG A 36 55.081 49.042 -36.890 1.00 1.76 N ATOM 0 H ARG A 36 56.026 41.904 -36.141 1.00 0.34 H new ATOM 0 HA ARG A 36 57.968 44.027 -37.015 1.00 0.33 H new ATOM 0 HB2 ARG A 36 55.219 44.460 -36.525 1.00 0.37 H new ATOM 0 HB3 ARG A 36 55.961 44.785 -34.970 1.00 0.37 H new ATOM 0 HG2 ARG A 36 56.126 46.897 -36.016 1.00 0.54 H new ATOM 0 HG3 ARG A 36 57.703 46.216 -36.363 1.00 0.54 H new ATOM 0 HD2 ARG A 36 57.237 46.586 -38.589 1.00 0.83 H new ATOM 0 HD3 ARG A 36 56.102 45.255 -38.489 1.00 0.83 H new ATOM 0 HE ARG A 36 54.285 46.839 -38.381 1.00 0.89 H new ATOM 0 HH11 ARG A 36 56.238 48.716 -39.836 1.00 1.27 H new ATOM 0 HH12 ARG A 36 56.128 50.165 -38.832 1.00 1.27 H new ATOM 0 HH21 ARG A 36 54.653 48.495 -36.143 1.00 1.76 H new ATOM 0 HH22 ARG A 36 55.240 50.041 -36.763 1.00 1.76 H new ATOM 606 N GLY A 37 59.147 42.877 -35.071 1.00 0.34 N ATOM 607 CA GLY A 37 59.827 42.464 -33.805 1.00 0.39 C ATOM 608 C GLY A 37 61.316 42.827 -33.826 1.00 0.38 C ATOM 609 O GLY A 37 61.748 43.703 -34.549 1.00 0.44 O ATOM 0 H GLY A 37 59.715 42.823 -35.916 1.00 0.34 H new ATOM 0 HA2 GLY A 37 59.345 42.949 -32.956 1.00 0.39 H new ATOM 0 HA3 GLY A 37 59.715 41.389 -33.664 1.00 0.39 H new ATOM 613 N CYS A 38 62.104 42.156 -33.021 1.00 0.40 N ATOM 614 CA CYS A 38 63.566 42.457 -32.974 1.00 0.41 C ATOM 615 C CYS A 38 64.361 41.378 -33.709 1.00 0.39 C ATOM 616 O CYS A 38 64.029 40.211 -33.673 1.00 0.42 O ATOM 617 CB CYS A 38 63.971 42.460 -31.488 1.00 0.52 C ATOM 618 SG CYS A 38 62.605 43.008 -30.428 1.00 1.14 S ATOM 0 H CYS A 38 61.796 41.412 -32.395 1.00 0.40 H new ATOM 0 HA CYS A 38 63.773 43.414 -33.452 1.00 0.41 H new ATOM 0 HB2 CYS A 38 64.283 41.458 -31.193 1.00 0.52 H new ATOM 0 HB3 CYS A 38 64.830 43.116 -31.345 1.00 0.52 H new ATOM 623 N ILE A 39 65.416 41.765 -34.365 1.00 0.38 N ATOM 624 CA ILE A 39 66.255 40.772 -35.093 1.00 0.39 C ATOM 625 C ILE A 39 67.738 41.002 -34.766 1.00 0.43 C ATOM 626 O ILE A 39 68.151 42.104 -34.458 1.00 0.48 O ATOM 627 CB ILE A 39 65.988 41.031 -36.596 1.00 0.38 C ATOM 628 CG1 ILE A 39 64.936 40.046 -37.108 1.00 0.39 C ATOM 629 CG2 ILE A 39 67.279 40.840 -37.409 1.00 0.43 C ATOM 630 CD1 ILE A 39 64.924 40.050 -38.639 1.00 0.42 C ATOM 0 H ILE A 39 65.736 42.731 -34.430 1.00 0.38 H new ATOM 0 HA ILE A 39 66.015 39.746 -34.812 1.00 0.39 H new ATOM 0 HB ILE A 39 65.633 42.055 -36.713 1.00 0.38 H new ATOM 0 HG12 ILE A 39 65.153 39.043 -36.739 1.00 0.39 H new ATOM 0 HG13 ILE A 39 63.952 40.320 -36.727 1.00 0.39 H new ATOM 0 HG21 ILE A 39 67.076 41.025 -38.464 1.00 0.43 H new ATOM 0 HG22 ILE A 39 68.037 41.539 -37.057 1.00 0.43 H new ATOM 0 HG23 ILE A 39 67.641 39.819 -37.283 1.00 0.43 H new ATOM 0 HD11 ILE A 39 64.173 39.347 -38.999 1.00 0.42 H new ATOM 0 HD12 ILE A 39 64.685 41.051 -38.998 1.00 0.42 H new ATOM 0 HD13 ILE A 39 65.905 39.755 -39.011 1.00 0.42 H new ATOM 642 N ASP A 40 68.540 39.976 -34.892 1.00 0.48 N ATOM 643 CA ASP A 40 70.010 40.127 -34.671 1.00 0.56 C ATOM 644 C ASP A 40 70.669 40.134 -36.050 1.00 0.58 C ATOM 645 O ASP A 40 71.697 40.738 -36.277 1.00 0.67 O ATOM 646 CB ASP A 40 70.457 38.893 -33.861 1.00 0.67 C ATOM 647 CG ASP A 40 70.857 37.745 -34.808 1.00 1.31 C ATOM 648 OD1 ASP A 40 71.854 37.898 -35.499 1.00 1.94 O ATOM 649 OD2 ASP A 40 70.162 36.742 -34.832 1.00 2.02 O ATOM 0 H ASP A 40 68.238 39.034 -35.140 1.00 0.48 H new ATOM 0 HA ASP A 40 70.277 41.039 -34.137 1.00 0.56 H new ATOM 0 HB2 ASP A 40 71.300 39.156 -33.221 1.00 0.67 H new ATOM 0 HB3 ASP A 40 69.649 38.568 -33.206 1.00 0.67 H new ATOM 654 N VAL A 41 70.036 39.456 -36.968 1.00 0.56 N ATOM 655 CA VAL A 41 70.540 39.373 -38.364 1.00 0.63 C ATOM 656 C VAL A 41 69.349 39.495 -39.320 1.00 0.58 C ATOM 657 O VAL A 41 68.290 38.952 -39.083 1.00 0.68 O ATOM 658 CB VAL A 41 71.237 37.998 -38.507 1.00 0.76 C ATOM 659 CG1 VAL A 41 70.597 36.935 -37.596 1.00 1.54 C ATOM 660 CG2 VAL A 41 71.136 37.515 -39.962 1.00 1.57 C ATOM 0 H VAL A 41 69.169 38.944 -36.802 1.00 0.56 H new ATOM 0 HA VAL A 41 71.245 40.170 -38.600 1.00 0.63 H new ATOM 0 HB VAL A 41 72.279 38.129 -38.213 1.00 0.76 H new ATOM 0 HG11 VAL A 41 71.115 35.985 -37.726 1.00 1.54 H new ATOM 0 HG12 VAL A 41 70.676 37.252 -36.556 1.00 1.54 H new ATOM 0 HG13 VAL A 41 69.546 36.815 -37.860 1.00 1.54 H new ATOM 0 HG21 VAL A 41 71.628 36.547 -40.059 1.00 1.57 H new ATOM 0 HG22 VAL A 41 70.087 37.419 -40.241 1.00 1.57 H new ATOM 0 HG23 VAL A 41 71.622 38.236 -40.619 1.00 1.57 H new ATOM 670 N CYS A 42 69.514 40.209 -40.389 1.00 0.72 N ATOM 671 CA CYS A 42 68.389 40.378 -41.350 1.00 0.76 C ATOM 672 C CYS A 42 68.404 39.261 -42.394 1.00 0.76 C ATOM 673 O CYS A 42 69.356 39.126 -43.138 1.00 0.90 O ATOM 674 CB CYS A 42 68.641 41.733 -42.007 1.00 1.00 C ATOM 675 SG CYS A 42 67.084 42.373 -42.669 1.00 1.13 S ATOM 0 H CYS A 42 70.379 40.686 -40.644 1.00 0.72 H new ATOM 0 HA CYS A 42 67.416 40.333 -40.861 1.00 0.76 H new ATOM 0 HB2 CYS A 42 69.055 42.432 -41.280 1.00 1.00 H new ATOM 0 HB3 CYS A 42 69.375 41.632 -42.806 1.00 1.00 H new ATOM 680 N PRO A 43 67.344 38.489 -42.427 1.00 0.70 N ATOM 681 CA PRO A 43 67.252 37.381 -43.399 1.00 0.80 C ATOM 682 C PRO A 43 67.433 37.894 -44.826 1.00 0.89 C ATOM 683 O PRO A 43 67.966 38.964 -45.053 1.00 0.97 O ATOM 684 CB PRO A 43 65.835 36.852 -43.170 1.00 0.80 C ATOM 685 CG PRO A 43 65.173 37.667 -42.045 1.00 0.72 C ATOM 686 CD PRO A 43 66.190 38.677 -41.511 1.00 0.65 C ATOM 0 HA PRO A 43 68.020 36.618 -43.269 1.00 0.80 H new ATOM 0 HB2 PRO A 43 65.251 36.931 -44.087 1.00 0.80 H new ATOM 0 HB3 PRO A 43 65.866 35.796 -42.902 1.00 0.80 H new ATOM 0 HG2 PRO A 43 64.289 38.183 -42.421 1.00 0.72 H new ATOM 0 HG3 PRO A 43 64.840 37.006 -41.245 1.00 0.72 H new ATOM 0 HD2 PRO A 43 65.806 39.696 -41.547 1.00 0.65 H new ATOM 0 HD3 PRO A 43 66.458 38.473 -40.474 1.00 0.65 H new ATOM 694 N LYS A 44 66.999 37.131 -45.788 1.00 1.04 N ATOM 695 CA LYS A 44 67.154 37.557 -47.205 1.00 1.19 C ATOM 696 C LYS A 44 65.813 38.040 -47.759 1.00 1.07 C ATOM 697 O LYS A 44 64.770 37.503 -47.440 1.00 1.52 O ATOM 698 CB LYS A 44 67.619 36.302 -47.958 1.00 1.53 C ATOM 699 CG LYS A 44 68.547 35.461 -47.071 1.00 2.08 C ATOM 700 CD LYS A 44 69.738 34.975 -47.899 1.00 2.77 C ATOM 701 CE LYS A 44 70.862 34.512 -46.967 1.00 3.61 C ATOM 702 NZ LYS A 44 70.257 33.430 -46.139 1.00 4.19 N ATOM 0 H LYS A 44 66.543 36.229 -45.654 1.00 1.04 H new ATOM 0 HA LYS A 44 67.862 38.379 -47.309 1.00 1.19 H new ATOM 0 HB2 LYS A 44 66.755 35.709 -48.258 1.00 1.53 H new ATOM 0 HB3 LYS A 44 68.140 36.590 -48.871 1.00 1.53 H new ATOM 0 HG2 LYS A 44 68.896 36.054 -46.225 1.00 2.08 H new ATOM 0 HG3 LYS A 44 68.003 34.610 -46.661 1.00 2.08 H new ATOM 0 HD2 LYS A 44 69.431 34.156 -48.549 1.00 2.77 H new ATOM 0 HD3 LYS A 44 70.095 35.777 -48.545 1.00 2.77 H new ATOM 0 HE2 LYS A 44 71.717 34.144 -47.533 1.00 3.61 H new ATOM 0 HE3 LYS A 44 71.221 35.331 -46.344 1.00 3.61 H new ATOM 0 HZ1 LYS A 44 71.007 32.802 -45.786 1.00 4.19 H new ATOM 0 HZ2 LYS A 44 69.751 33.851 -45.334 1.00 4.19 H new ATOM 0 HZ3 LYS A 44 69.590 32.881 -46.718 1.00 4.19 H new ATOM 716 N SER A 45 65.829 39.041 -48.595 1.00 1.01 N ATOM 717 CA SER A 45 64.549 39.541 -49.178 1.00 0.93 C ATOM 718 C SER A 45 64.157 38.659 -50.364 1.00 0.94 C ATOM 719 O SER A 45 64.985 38.299 -51.181 1.00 1.20 O ATOM 720 CB SER A 45 64.843 40.967 -49.637 1.00 1.04 C ATOM 721 OG SER A 45 64.638 41.861 -48.549 1.00 1.64 O ATOM 0 H SER A 45 66.669 39.534 -48.900 1.00 1.01 H new ATOM 0 HA SER A 45 63.724 39.518 -48.466 1.00 0.93 H new ATOM 0 HB2 SER A 45 65.869 41.042 -49.996 1.00 1.04 H new ATOM 0 HB3 SER A 45 64.193 41.235 -50.470 1.00 1.04 H new ATOM 0 HG SER A 45 64.827 42.778 -48.839 1.00 1.64 H new ATOM 727 N SER A 46 62.911 38.287 -50.458 1.00 0.84 N ATOM 728 CA SER A 46 62.489 37.410 -51.582 1.00 1.02 C ATOM 729 C SER A 46 61.609 38.172 -52.578 1.00 1.10 C ATOM 730 O SER A 46 61.409 39.368 -52.469 1.00 1.66 O ATOM 731 CB SER A 46 61.710 36.277 -50.917 1.00 1.08 C ATOM 732 OG SER A 46 60.383 36.251 -51.419 1.00 1.49 O ATOM 0 H SER A 46 62.171 38.551 -49.808 1.00 0.84 H new ATOM 0 HA SER A 46 63.339 37.043 -52.157 1.00 1.02 H new ATOM 0 HB2 SER A 46 62.201 35.323 -51.110 1.00 1.08 H new ATOM 0 HB3 SER A 46 61.698 36.417 -49.836 1.00 1.08 H new ATOM 0 HG SER A 46 59.935 35.433 -51.117 1.00 1.49 H new ATOM 738 N LEU A 47 61.092 37.477 -53.554 1.00 1.13 N ATOM 739 CA LEU A 47 60.232 38.129 -54.582 1.00 1.25 C ATOM 740 C LEU A 47 58.830 38.392 -54.030 1.00 0.98 C ATOM 741 O LEU A 47 58.023 39.052 -54.655 1.00 1.23 O ATOM 742 CB LEU A 47 60.176 37.110 -55.724 1.00 1.60 C ATOM 743 CG LEU A 47 59.495 37.715 -56.960 1.00 2.09 C ATOM 744 CD1 LEU A 47 59.890 39.184 -57.117 1.00 2.75 C ATOM 745 CD2 LEU A 47 59.936 36.938 -58.203 1.00 2.50 C ATOM 0 H LEU A 47 61.230 36.475 -53.684 1.00 1.13 H new ATOM 0 HA LEU A 47 60.623 39.096 -54.899 1.00 1.25 H new ATOM 0 HB2 LEU A 47 61.185 36.788 -55.980 1.00 1.60 H new ATOM 0 HB3 LEU A 47 59.631 36.223 -55.400 1.00 1.60 H new ATOM 0 HG LEU A 47 58.414 37.651 -56.840 1.00 2.09 H new ATOM 0 HD11 LEU A 47 59.400 39.600 -57.997 1.00 2.75 H new ATOM 0 HD12 LEU A 47 59.581 39.740 -56.232 1.00 2.75 H new ATOM 0 HD13 LEU A 47 60.971 39.260 -57.234 1.00 2.75 H new ATOM 0 HD21 LEU A 47 59.457 37.361 -59.086 1.00 2.50 H new ATOM 0 HD22 LEU A 47 61.019 37.007 -58.310 1.00 2.50 H new ATOM 0 HD23 LEU A 47 59.647 35.892 -58.100 1.00 2.50 H new ATOM 757 N LEU A 48 58.525 37.875 -52.871 1.00 0.79 N ATOM 758 CA LEU A 48 57.166 38.100 -52.304 1.00 0.85 C ATOM 759 C LEU A 48 57.248 38.653 -50.879 1.00 0.71 C ATOM 760 O LEU A 48 56.332 39.291 -50.407 1.00 0.92 O ATOM 761 CB LEU A 48 56.505 36.722 -52.309 1.00 1.16 C ATOM 762 CG LEU A 48 55.639 36.579 -53.563 1.00 1.67 C ATOM 763 CD1 LEU A 48 56.438 35.873 -54.659 1.00 2.36 C ATOM 764 CD2 LEU A 48 54.393 35.754 -53.233 1.00 2.47 C ATOM 0 H LEU A 48 59.152 37.311 -52.297 1.00 0.79 H new ATOM 0 HA LEU A 48 56.602 38.831 -52.883 1.00 0.85 H new ATOM 0 HB2 LEU A 48 57.266 35.941 -52.288 1.00 1.16 H new ATOM 0 HB3 LEU A 48 55.894 36.596 -51.415 1.00 1.16 H new ATOM 0 HG LEU A 48 55.340 37.568 -53.910 1.00 1.67 H new ATOM 0 HD11 LEU A 48 55.821 35.772 -55.551 1.00 2.36 H new ATOM 0 HD12 LEU A 48 57.326 36.459 -54.897 1.00 2.36 H new ATOM 0 HD13 LEU A 48 56.738 34.884 -54.311 1.00 2.36 H new ATOM 0 HD21 LEU A 48 53.777 35.653 -54.126 1.00 2.47 H new ATOM 0 HD22 LEU A 48 54.693 34.766 -52.885 1.00 2.47 H new ATOM 0 HD23 LEU A 48 53.821 36.255 -52.453 1.00 2.47 H new ATOM 776 N VAL A 49 58.328 38.413 -50.184 1.00 0.54 N ATOM 777 CA VAL A 49 58.434 38.932 -48.786 1.00 0.49 C ATOM 778 C VAL A 49 59.698 39.779 -48.612 1.00 0.42 C ATOM 779 O VAL A 49 60.676 39.610 -49.313 1.00 0.58 O ATOM 780 CB VAL A 49 58.513 37.685 -47.907 1.00 0.65 C ATOM 781 CG1 VAL A 49 59.827 36.952 -48.184 1.00 0.99 C ATOM 782 CG2 VAL A 49 58.460 38.095 -46.433 1.00 1.13 C ATOM 0 H VAL A 49 59.135 37.886 -50.518 1.00 0.54 H new ATOM 0 HA VAL A 49 57.590 39.571 -48.528 1.00 0.49 H new ATOM 0 HB VAL A 49 57.673 37.027 -48.131 1.00 0.65 H new ATOM 0 HG11 VAL A 49 59.886 36.062 -47.558 1.00 0.99 H new ATOM 0 HG12 VAL A 49 59.867 36.661 -49.234 1.00 0.99 H new ATOM 0 HG13 VAL A 49 60.666 37.611 -47.958 1.00 0.99 H new ATOM 0 HG21 VAL A 49 58.516 37.205 -45.806 1.00 1.13 H new ATOM 0 HG22 VAL A 49 59.300 38.752 -46.208 1.00 1.13 H new ATOM 0 HG23 VAL A 49 57.526 38.620 -46.235 1.00 1.13 H new ATOM 792 N LYS A 50 59.683 40.684 -47.669 1.00 0.40 N ATOM 793 CA LYS A 50 60.878 41.539 -47.429 1.00 0.42 C ATOM 794 C LYS A 50 61.033 41.804 -45.927 1.00 0.44 C ATOM 795 O LYS A 50 60.144 42.335 -45.290 1.00 0.55 O ATOM 796 CB LYS A 50 60.587 42.844 -48.186 1.00 0.57 C ATOM 797 CG LYS A 50 61.359 44.008 -47.550 1.00 1.02 C ATOM 798 CD LYS A 50 61.876 44.945 -48.644 1.00 1.41 C ATOM 799 CE LYS A 50 61.012 46.211 -48.688 1.00 1.74 C ATOM 800 NZ LYS A 50 61.956 47.323 -49.016 1.00 2.40 N ATOM 0 H LYS A 50 58.890 40.867 -47.053 1.00 0.40 H new ATOM 0 HA LYS A 50 61.804 41.074 -47.768 1.00 0.42 H new ATOM 0 HB2 LYS A 50 60.872 42.737 -49.233 1.00 0.57 H new ATOM 0 HB3 LYS A 50 59.518 43.054 -48.167 1.00 0.57 H new ATOM 0 HG2 LYS A 50 60.711 44.556 -46.866 1.00 1.02 H new ATOM 0 HG3 LYS A 50 62.193 43.625 -46.962 1.00 1.02 H new ATOM 0 HD2 LYS A 50 62.916 45.209 -48.450 1.00 1.41 H new ATOM 0 HD3 LYS A 50 61.850 44.441 -49.610 1.00 1.41 H new ATOM 0 HE2 LYS A 50 60.228 46.126 -49.441 1.00 1.74 H new ATOM 0 HE3 LYS A 50 60.518 46.384 -47.732 1.00 1.74 H new ATOM 0 HZ1 LYS A 50 61.433 48.220 -49.062 1.00 2.40 H new ATOM 0 HZ2 LYS A 50 62.687 47.386 -48.279 1.00 2.40 H new ATOM 0 HZ3 LYS A 50 62.406 47.137 -49.935 1.00 2.40 H new ATOM 814 N TYR A 51 62.160 41.455 -45.361 1.00 0.44 N ATOM 815 CA TYR A 51 62.376 41.715 -43.905 1.00 0.52 C ATOM 816 C TYR A 51 63.206 42.992 -43.742 1.00 0.45 C ATOM 817 O TYR A 51 64.373 43.022 -44.085 1.00 0.59 O ATOM 818 CB TYR A 51 63.187 40.533 -43.362 1.00 0.73 C ATOM 819 CG TYR A 51 62.372 39.263 -43.343 1.00 0.50 C ATOM 820 CD1 TYR A 51 61.970 38.655 -44.541 1.00 0.69 C ATOM 821 CD2 TYR A 51 62.042 38.675 -42.112 1.00 0.82 C ATOM 822 CE1 TYR A 51 61.238 37.460 -44.506 1.00 0.76 C ATOM 823 CE2 TYR A 51 61.317 37.481 -42.077 1.00 1.19 C ATOM 824 CZ TYR A 51 60.910 36.874 -43.273 1.00 1.05 C ATOM 825 OH TYR A 51 60.194 35.694 -43.236 1.00 1.47 O ATOM 0 H TYR A 51 62.938 41.003 -45.842 1.00 0.44 H new ATOM 0 HA TYR A 51 61.428 41.829 -43.380 1.00 0.52 H new ATOM 0 HB2 TYR A 51 64.075 40.387 -43.977 1.00 0.73 H new ATOM 0 HB3 TYR A 51 63.532 40.760 -42.353 1.00 0.73 H new ATOM 0 HD1 TYR A 51 62.224 39.106 -45.489 1.00 0.69 H new ATOM 0 HD2 TYR A 51 62.349 39.146 -41.190 1.00 0.82 H new ATOM 0 HE1 TYR A 51 60.926 36.990 -45.427 1.00 0.76 H new ATOM 0 HE2 TYR A 51 61.070 37.026 -41.129 1.00 1.19 H new ATOM 0 HH TYR A 51 59.354 35.836 -42.752 1.00 1.47 H new ATOM 835 N VAL A 52 62.640 44.039 -43.214 1.00 0.44 N ATOM 836 CA VAL A 52 63.440 45.284 -43.030 1.00 0.49 C ATOM 837 C VAL A 52 64.094 45.252 -41.651 1.00 0.43 C ATOM 838 O VAL A 52 63.433 45.019 -40.670 1.00 0.56 O ATOM 839 CB VAL A 52 62.429 46.421 -43.112 1.00 0.69 C ATOM 840 CG1 VAL A 52 63.162 47.757 -43.108 1.00 1.02 C ATOM 841 CG2 VAL A 52 61.620 46.296 -44.396 1.00 0.82 C ATOM 0 H VAL A 52 61.669 44.089 -42.904 1.00 0.44 H new ATOM 0 HA VAL A 52 64.230 45.396 -43.773 1.00 0.49 H new ATOM 0 HB VAL A 52 61.760 46.368 -42.253 1.00 0.69 H new ATOM 0 HG11 VAL A 52 62.438 48.570 -43.167 1.00 1.02 H new ATOM 0 HG12 VAL A 52 63.740 47.852 -42.189 1.00 1.02 H new ATOM 0 HG13 VAL A 52 63.833 47.806 -43.966 1.00 1.02 H new ATOM 0 HG21 VAL A 52 60.898 47.111 -44.452 1.00 0.82 H new ATOM 0 HG22 VAL A 52 62.290 46.346 -45.254 1.00 0.82 H new ATOM 0 HG23 VAL A 52 61.092 45.342 -44.402 1.00 0.82 H new ATOM 851 N CYS A 53 65.381 45.458 -41.553 1.00 0.44 N ATOM 852 CA CYS A 53 66.023 45.395 -40.201 1.00 0.47 C ATOM 853 C CYS A 53 66.908 46.613 -39.923 1.00 0.46 C ATOM 854 O CYS A 53 67.767 46.967 -40.706 1.00 0.68 O ATOM 855 CB CYS A 53 66.880 44.125 -40.217 1.00 0.73 C ATOM 856 SG CYS A 53 65.980 42.775 -41.025 1.00 1.39 S ATOM 0 H CYS A 53 66.007 45.663 -42.332 1.00 0.44 H new ATOM 0 HA CYS A 53 65.264 45.386 -39.418 1.00 0.47 H new ATOM 0 HB2 CYS A 53 67.815 44.315 -40.743 1.00 0.73 H new ATOM 0 HB3 CYS A 53 67.140 43.840 -39.198 1.00 0.73 H new ATOM 861 N CYS A 54 66.717 47.236 -38.788 1.00 0.39 N ATOM 862 CA CYS A 54 67.564 48.415 -38.417 1.00 0.51 C ATOM 863 C CYS A 54 68.169 48.189 -37.026 1.00 0.48 C ATOM 864 O CYS A 54 67.544 47.597 -36.180 1.00 0.46 O ATOM 865 CB CYS A 54 66.621 49.631 -38.399 1.00 0.68 C ATOM 866 SG CYS A 54 64.978 49.164 -37.778 1.00 1.08 S ATOM 0 H CYS A 54 66.010 46.980 -38.099 1.00 0.39 H new ATOM 0 HA CYS A 54 68.384 48.566 -39.119 1.00 0.51 H new ATOM 0 HB2 CYS A 54 67.043 50.415 -37.770 1.00 0.68 H new ATOM 0 HB3 CYS A 54 66.531 50.042 -39.404 1.00 0.68 H new ATOM 871 N ASN A 55 69.369 48.669 -36.780 1.00 0.52 N ATOM 872 CA ASN A 55 70.002 48.476 -35.435 1.00 0.55 C ATOM 873 C ASN A 55 69.629 49.641 -34.544 1.00 0.54 C ATOM 874 O ASN A 55 70.433 50.500 -34.240 1.00 0.61 O ATOM 875 CB ASN A 55 71.516 48.490 -35.685 1.00 0.67 C ATOM 876 CG ASN A 55 72.243 48.304 -34.354 1.00 1.48 C ATOM 877 OD1 ASN A 55 71.616 48.176 -33.322 1.00 2.23 O ATOM 878 ND2 ASN A 55 73.548 48.290 -34.331 1.00 2.32 N ATOM 0 H ASN A 55 69.935 49.185 -37.453 1.00 0.52 H new ATOM 0 HA ASN A 55 69.679 47.552 -34.955 1.00 0.55 H new ATOM 0 HB2 ASN A 55 71.790 47.695 -36.378 1.00 0.67 H new ATOM 0 HB3 ASN A 55 71.812 49.432 -36.147 1.00 0.67 H new ATOM 0 HD21 ASN A 55 74.041 48.172 -33.446 1.00 2.32 H new ATOM 0 HD22 ASN A 55 74.075 48.398 -35.198 1.00 2.32 H new ATOM 885 N THR A 56 68.401 49.680 -34.142 1.00 0.49 N ATOM 886 CA THR A 56 67.956 50.807 -33.279 1.00 0.50 C ATOM 887 C THR A 56 66.835 50.376 -32.343 1.00 0.48 C ATOM 888 O THR A 56 65.909 49.697 -32.737 1.00 0.57 O ATOM 889 CB THR A 56 67.457 51.872 -34.260 1.00 0.54 C ATOM 890 OG1 THR A 56 67.225 51.274 -35.529 1.00 1.15 O ATOM 891 CG2 THR A 56 68.509 52.977 -34.392 1.00 1.16 C ATOM 0 H THR A 56 67.686 48.989 -34.368 1.00 0.49 H new ATOM 0 HA THR A 56 68.760 51.171 -32.640 1.00 0.50 H new ATOM 0 HB THR A 56 66.527 52.304 -33.890 1.00 0.54 H new ATOM 0 HG1 THR A 56 66.793 50.403 -35.406 1.00 1.15 H new ATOM 0 HG21 THR A 56 68.155 53.735 -35.090 1.00 1.16 H new ATOM 0 HG22 THR A 56 68.682 53.433 -33.417 1.00 1.16 H new ATOM 0 HG23 THR A 56 69.441 52.550 -34.763 1.00 1.16 H new ATOM 899 N ASP A 57 66.893 50.785 -31.109 1.00 0.58 N ATOM 900 CA ASP A 57 65.802 50.414 -30.171 1.00 0.60 C ATOM 901 C ASP A 57 64.503 51.057 -30.660 1.00 0.59 C ATOM 902 O ASP A 57 64.352 52.262 -30.628 1.00 0.72 O ATOM 903 CB ASP A 57 66.221 50.994 -28.818 1.00 0.71 C ATOM 904 CG ASP A 57 64.994 51.121 -27.908 1.00 0.95 C ATOM 905 OD1 ASP A 57 64.380 50.102 -27.634 1.00 1.70 O ATOM 906 OD2 ASP A 57 64.688 52.232 -27.505 1.00 1.47 O ATOM 0 H ASP A 57 67.641 51.354 -30.712 1.00 0.58 H new ATOM 0 HA ASP A 57 65.639 49.338 -30.102 1.00 0.60 H new ATOM 0 HB2 ASP A 57 66.967 50.351 -28.351 1.00 0.71 H new ATOM 0 HB3 ASP A 57 66.685 51.971 -28.958 1.00 0.71 H new ATOM 911 N ARG A 58 63.575 50.265 -31.133 1.00 0.56 N ATOM 912 CA ARG A 58 62.288 50.830 -31.645 1.00 0.61 C ATOM 913 C ARG A 58 62.504 51.504 -33.006 1.00 0.60 C ATOM 914 O ARG A 58 62.384 52.703 -33.139 1.00 0.87 O ATOM 915 CB ARG A 58 61.842 51.855 -30.595 1.00 0.73 C ATOM 916 CG ARG A 58 60.323 51.788 -30.430 1.00 0.93 C ATOM 917 CD ARG A 58 59.659 52.367 -31.693 1.00 1.16 C ATOM 918 NE ARG A 58 58.823 53.551 -31.279 1.00 1.10 N ATOM 919 CZ ARG A 58 59.110 54.254 -30.211 1.00 1.34 C ATOM 920 NH1 ARG A 58 60.007 55.201 -30.268 1.00 1.52 N ATOM 921 NH2 ARG A 58 58.495 54.004 -29.087 1.00 1.91 N ATOM 0 H ARG A 58 63.652 49.249 -31.187 1.00 0.56 H new ATOM 0 HA ARG A 58 61.535 50.056 -31.793 1.00 0.61 H new ATOM 0 HB2 ARG A 58 62.331 51.652 -29.642 1.00 0.73 H new ATOM 0 HB3 ARG A 58 62.142 52.858 -30.900 1.00 0.73 H new ATOM 0 HG2 ARG A 58 60.006 50.757 -30.276 1.00 0.93 H new ATOM 0 HG3 ARG A 58 60.014 52.351 -29.550 1.00 0.93 H new ATOM 0 HD2 ARG A 58 60.416 52.669 -32.417 1.00 1.16 H new ATOM 0 HD3 ARG A 58 59.038 51.613 -32.177 1.00 1.16 H new ATOM 0 HE ARG A 58 58.014 53.811 -31.844 1.00 1.10 H new ATOM 0 HH11 ARG A 58 60.488 55.396 -31.146 1.00 1.52 H new ATOM 0 HH12 ARG A 58 60.227 55.746 -29.434 1.00 1.52 H new ATOM 0 HH21 ARG A 58 57.794 53.264 -29.043 1.00 1.91 H new ATOM 0 HH22 ARG A 58 58.715 54.549 -28.253 1.00 1.91 H new ATOM 935 N CYS A 59 62.817 50.739 -34.022 1.00 0.44 N ATOM 936 CA CYS A 59 63.031 51.344 -35.374 1.00 0.47 C ATOM 937 C CYS A 59 62.259 50.554 -36.435 1.00 0.60 C ATOM 938 O CYS A 59 62.611 50.544 -37.596 1.00 1.14 O ATOM 939 CB CYS A 59 64.542 51.265 -35.631 1.00 0.42 C ATOM 940 SG CYS A 59 65.058 49.540 -35.793 1.00 0.84 S ATOM 0 H CYS A 59 62.933 49.727 -33.975 1.00 0.44 H new ATOM 0 HA CYS A 59 62.674 52.373 -35.420 1.00 0.47 H new ATOM 0 HB2 CYS A 59 64.793 51.814 -36.538 1.00 0.42 H new ATOM 0 HB3 CYS A 59 65.083 51.739 -34.812 1.00 0.42 H new ATOM 945 N ASN A 60 61.203 49.893 -36.045 1.00 0.52 N ATOM 946 CA ASN A 60 60.408 49.109 -37.034 1.00 0.55 C ATOM 947 C ASN A 60 58.908 49.341 -36.821 1.00 0.71 C ATOM 948 O ASN A 60 58.137 48.478 -37.203 1.00 1.39 O ATOM 949 CB ASN A 60 60.770 47.651 -36.756 1.00 0.41 C ATOM 950 CG ASN A 60 60.089 47.190 -35.465 1.00 0.36 C ATOM 951 OD1 ASN A 60 59.959 47.951 -34.526 1.00 0.43 O ATOM 952 ND2 ASN A 60 59.649 45.965 -35.377 1.00 0.40 N ATOM 953 OXT ASN A 60 58.558 50.379 -36.282 1.00 1.25 O ATOM 0 H ASN A 60 60.857 49.862 -35.086 1.00 0.52 H new ATOM 0 HA ASN A 60 60.626 49.399 -38.062 1.00 0.55 H new ATOM 0 HB2 ASN A 60 60.456 47.023 -37.589 1.00 0.41 H new ATOM 0 HB3 ASN A 60 61.851 47.545 -36.667 1.00 0.41 H new ATOM 0 HD21 ASN A 60 59.196 45.646 -34.521 1.00 0.40 H new ATOM 0 HD22 ASN A 60 59.758 45.326 -36.165 1.00 0.40 H new TER 960 ASN A 60