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 22 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 35 LYS NZ :NH3+ -141:sc= -0.0151 (180deg=-0.91) USER MOD Set 2.1: A 19 ASN : amide:sc= -3.67! C(o=-6.6!,f=-12!) USER MOD Set 2.2: A 55 ASN : amide:sc= -2.98! C(o=-6.6!,f=-6.4!) USER MOD Single : A 1 LEU N :NH3+ -105:sc= 0.0446 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -122:sc= 0.408 (180deg=-0.131) USER MOD Single : A 4 ASN : amide:sc= -2.98! C(o=-3!,f=-7.8!) USER MOD Single : A 5 LYS NZ :NH3+ -113:sc= -1.61! (180deg=-4.06!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 144:sc= 0.218 (180deg=-0.333) USER MOD Single : A 24 MET CE :methyl -124:sc= -5.24! (180deg=-9.29!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 46:sc= -0.789! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= -0.748! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 5:sc= -3.58! USER MOD Single : A 60 ASN : amide:sc= -6! C(o=-6!,f=-18!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 66.467 46.398 -24.635 1.00 1.26 N ATOM 2 CA LEU A 1 66.120 46.979 -25.965 1.00 0.65 C ATOM 3 C LEU A 1 64.678 46.619 -26.316 1.00 0.58 C ATOM 4 O LEU A 1 64.179 45.584 -25.921 1.00 0.77 O ATOM 5 CB LEU A 1 67.089 46.336 -26.960 1.00 1.19 C ATOM 6 CG LEU A 1 66.948 47.021 -28.316 1.00 1.07 C ATOM 7 CD1 LEU A 1 67.649 48.378 -28.267 1.00 1.38 C ATOM 8 CD2 LEU A 1 67.592 46.145 -29.389 1.00 1.53 C ATOM 0 H1 LEU A 1 66.480 47.152 -23.919 1.00 1.26 H new ATOM 0 H2 LEU A 1 65.758 45.684 -24.372 1.00 1.26 H new ATOM 0 H3 LEU A 1 67.405 45.952 -24.685 1.00 1.26 H new ATOM 0 HA LEU A 1 66.202 48.066 -25.977 1.00 0.65 H new ATOM 0 HB2 LEU A 1 68.113 46.427 -26.598 1.00 1.19 H new ATOM 0 HB3 LEU A 1 66.878 45.271 -27.054 1.00 1.19 H new ATOM 0 HG LEU A 1 65.894 47.167 -28.553 1.00 1.07 H new ATOM 0 HD11 LEU A 1 67.552 48.873 -29.233 1.00 1.38 H new ATOM 0 HD12 LEU A 1 67.191 48.996 -27.495 1.00 1.38 H new ATOM 0 HD13 LEU A 1 68.705 48.234 -28.038 1.00 1.38 H new ATOM 0 HD21 LEU A 1 67.495 46.629 -30.361 1.00 1.53 H new ATOM 0 HD22 LEU A 1 68.648 46.004 -29.158 1.00 1.53 H new ATOM 0 HD23 LEU A 1 67.094 45.176 -29.415 1.00 1.53 H new ATOM 22 N LYS A 2 64.005 47.460 -27.053 1.00 0.45 N ATOM 23 CA LYS A 2 62.591 47.159 -27.425 1.00 0.53 C ATOM 24 C LYS A 2 62.261 47.766 -28.800 1.00 0.43 C ATOM 25 O LYS A 2 62.588 48.900 -29.081 1.00 0.59 O ATOM 26 CB LYS A 2 61.748 47.783 -26.304 1.00 0.71 C ATOM 27 CG LYS A 2 61.855 49.314 -26.331 1.00 1.14 C ATOM 28 CD LYS A 2 62.040 49.832 -24.899 1.00 1.23 C ATOM 29 CE LYS A 2 61.572 51.289 -24.806 1.00 1.98 C ATOM 30 NZ LYS A 2 62.550 52.069 -25.618 1.00 2.63 N ATOM 0 H LYS A 2 64.371 48.341 -27.414 1.00 0.45 H new ATOM 0 HA LYS A 2 62.395 46.091 -27.517 1.00 0.53 H new ATOM 0 HB2 LYS A 2 60.706 47.485 -26.417 1.00 0.71 H new ATOM 0 HB3 LYS A 2 62.084 47.407 -25.338 1.00 0.71 H new ATOM 0 HG2 LYS A 2 62.696 49.621 -26.953 1.00 1.14 H new ATOM 0 HG3 LYS A 2 60.957 49.746 -26.773 1.00 1.14 H new ATOM 0 HD2 LYS A 2 61.473 49.214 -24.203 1.00 1.23 H new ATOM 0 HD3 LYS A 2 63.088 49.758 -24.609 1.00 1.23 H new ATOM 0 HE2 LYS A 2 60.560 51.402 -25.194 1.00 1.98 H new ATOM 0 HE3 LYS A 2 61.557 51.632 -23.772 1.00 1.98 H new ATOM 0 HZ1 LYS A 2 62.993 52.797 -25.022 1.00 2.63 H new ATOM 0 HZ2 LYS A 2 63.283 51.430 -25.987 1.00 2.63 H new ATOM 0 HZ3 LYS A 2 62.057 52.525 -26.412 1.00 2.63 H new ATOM 44 N CYS A 3 61.638 47.002 -29.670 1.00 0.40 N ATOM 45 CA CYS A 3 61.315 47.519 -31.039 1.00 0.40 C ATOM 46 C CYS A 3 59.822 47.823 -31.192 1.00 0.40 C ATOM 47 O CYS A 3 58.981 47.168 -30.615 1.00 0.44 O ATOM 48 CB CYS A 3 61.703 46.380 -31.973 1.00 0.54 C ATOM 49 SG CYS A 3 63.503 46.284 -32.077 1.00 0.68 S ATOM 0 H CYS A 3 61.340 46.043 -29.490 1.00 0.40 H new ATOM 0 HA CYS A 3 61.841 48.451 -31.248 1.00 0.40 H new ATOM 0 HB2 CYS A 3 61.297 45.438 -31.605 1.00 0.54 H new ATOM 0 HB3 CYS A 3 61.278 46.545 -32.963 1.00 0.54 H new ATOM 54 N ASN A 4 59.494 48.800 -31.997 1.00 0.43 N ATOM 55 CA ASN A 4 58.062 49.149 -32.219 1.00 0.49 C ATOM 56 C ASN A 4 57.284 47.906 -32.679 1.00 0.49 C ATOM 57 O ASN A 4 57.787 47.102 -33.439 1.00 0.55 O ATOM 58 CB ASN A 4 58.102 50.203 -33.333 1.00 0.60 C ATOM 59 CG ASN A 4 58.098 51.616 -32.732 1.00 0.99 C ATOM 60 OD1 ASN A 4 57.349 51.898 -31.819 1.00 1.93 O ATOM 61 ND2 ASN A 4 58.908 52.527 -33.215 1.00 1.09 N ATOM 0 H ASN A 4 60.162 49.374 -32.512 1.00 0.43 H new ATOM 0 HA ASN A 4 57.568 49.515 -31.319 1.00 0.49 H new ATOM 0 HB2 ASN A 4 58.994 50.063 -33.943 1.00 0.60 H new ATOM 0 HB3 ASN A 4 57.242 50.078 -33.992 1.00 0.60 H new ATOM 0 HD21 ASN A 4 58.907 53.469 -32.824 1.00 1.09 H new ATOM 0 HD22 ASN A 4 59.539 52.294 -33.982 1.00 1.09 H new ATOM 68 N LYS A 5 56.065 47.736 -32.234 1.00 0.52 N ATOM 69 CA LYS A 5 55.289 46.538 -32.667 1.00 0.60 C ATOM 70 C LYS A 5 54.390 46.878 -33.859 1.00 0.71 C ATOM 71 O LYS A 5 54.085 48.026 -34.109 1.00 1.48 O ATOM 72 CB LYS A 5 54.434 46.133 -31.472 1.00 0.68 C ATOM 73 CG LYS A 5 55.133 45.009 -30.718 1.00 1.03 C ATOM 74 CD LYS A 5 54.788 43.671 -31.369 1.00 1.48 C ATOM 75 CE LYS A 5 53.389 43.235 -30.932 1.00 1.84 C ATOM 76 NZ LYS A 5 52.475 43.732 -32.000 1.00 2.49 N ATOM 0 H LYS A 5 55.579 48.367 -31.597 1.00 0.52 H new ATOM 0 HA LYS A 5 55.954 45.733 -32.980 1.00 0.60 H new ATOM 0 HB2 LYS A 5 54.279 46.988 -30.814 1.00 0.68 H new ATOM 0 HB3 LYS A 5 53.450 45.806 -31.807 1.00 0.68 H new ATOM 0 HG2 LYS A 5 56.212 45.164 -30.730 1.00 1.03 H new ATOM 0 HG3 LYS A 5 54.822 45.009 -29.673 1.00 1.03 H new ATOM 0 HD2 LYS A 5 54.829 43.762 -32.454 1.00 1.48 H new ATOM 0 HD3 LYS A 5 55.521 42.916 -31.084 1.00 1.48 H new ATOM 0 HE2 LYS A 5 53.327 42.151 -30.833 1.00 1.84 H new ATOM 0 HE3 LYS A 5 53.129 43.659 -29.962 1.00 1.84 H new ATOM 0 HZ1 LYS A 5 51.861 44.477 -31.613 1.00 2.49 H new ATOM 0 HZ2 LYS A 5 53.037 44.120 -32.785 1.00 2.49 H new ATOM 0 HZ3 LYS A 5 51.889 42.947 -32.349 1.00 2.49 H new ATOM 90 N LEU A 6 53.970 45.877 -34.592 1.00 0.53 N ATOM 91 CA LEU A 6 53.090 46.102 -35.785 1.00 0.57 C ATOM 92 C LEU A 6 52.162 47.309 -35.591 1.00 0.62 C ATOM 93 O LEU A 6 52.107 48.192 -36.422 1.00 0.72 O ATOM 94 CB LEU A 6 52.258 44.817 -35.903 1.00 0.59 C ATOM 95 CG LEU A 6 52.076 44.390 -37.373 1.00 0.70 C ATOM 96 CD1 LEU A 6 50.689 43.760 -37.531 1.00 1.22 C ATOM 97 CD2 LEU A 6 52.187 45.595 -38.320 1.00 0.78 C ATOM 0 H LEU A 6 54.202 44.900 -34.414 1.00 0.53 H new ATOM 0 HA LEU A 6 53.680 46.314 -36.677 1.00 0.57 H new ATOM 0 HB2 LEU A 6 52.746 44.015 -35.349 1.00 0.59 H new ATOM 0 HB3 LEU A 6 51.281 44.972 -35.445 1.00 0.59 H new ATOM 0 HG LEU A 6 52.860 43.678 -37.630 1.00 0.70 H new ATOM 0 HD11 LEU A 6 50.545 43.452 -38.567 1.00 1.22 H new ATOM 0 HD12 LEU A 6 50.608 42.890 -36.879 1.00 1.22 H new ATOM 0 HD13 LEU A 6 49.925 44.489 -37.259 1.00 1.22 H new ATOM 0 HD21 LEU A 6 52.054 45.262 -39.349 1.00 0.78 H new ATOM 0 HD22 LEU A 6 51.416 46.325 -38.072 1.00 0.78 H new ATOM 0 HD23 LEU A 6 53.170 46.054 -38.211 1.00 0.78 H new ATOM 109 N VAL A 7 51.425 47.359 -34.516 1.00 0.61 N ATOM 110 CA VAL A 7 50.506 48.515 -34.320 1.00 0.71 C ATOM 111 C VAL A 7 51.276 49.733 -33.789 1.00 0.70 C ATOM 112 O VAL A 7 52.116 49.595 -32.922 1.00 0.62 O ATOM 113 CB VAL A 7 49.491 48.045 -33.290 1.00 0.73 C ATOM 114 CG1 VAL A 7 48.358 49.065 -33.199 1.00 0.93 C ATOM 115 CG2 VAL A 7 48.931 46.680 -33.709 1.00 0.79 C ATOM 0 H VAL A 7 51.418 46.659 -33.774 1.00 0.61 H new ATOM 0 HA VAL A 7 50.034 48.821 -35.254 1.00 0.71 H new ATOM 0 HB VAL A 7 49.971 47.950 -32.316 1.00 0.73 H new ATOM 0 HG11 VAL A 7 47.627 48.732 -32.462 1.00 0.93 H new ATOM 0 HG12 VAL A 7 48.762 50.032 -32.899 1.00 0.93 H new ATOM 0 HG13 VAL A 7 47.875 49.160 -34.171 1.00 0.93 H new ATOM 0 HG21 VAL A 7 48.203 46.343 -32.971 1.00 0.79 H new ATOM 0 HG22 VAL A 7 48.447 46.768 -34.682 1.00 0.79 H new ATOM 0 HG23 VAL A 7 49.744 45.957 -33.773 1.00 0.79 H new ATOM 125 N PRO A 8 50.965 50.893 -34.322 1.00 0.84 N ATOM 126 CA PRO A 8 51.645 52.139 -33.892 1.00 0.91 C ATOM 127 C PRO A 8 51.285 52.475 -32.445 1.00 0.92 C ATOM 128 O PRO A 8 50.810 53.554 -32.150 1.00 1.21 O ATOM 129 CB PRO A 8 51.067 53.185 -34.850 1.00 1.09 C ATOM 130 CG PRO A 8 50.067 52.490 -35.796 1.00 1.12 C ATOM 131 CD PRO A 8 49.928 51.024 -35.370 1.00 0.97 C ATOM 0 HA PRO A 8 52.733 52.075 -33.924 1.00 0.91 H new ATOM 0 HB2 PRO A 8 50.569 53.977 -34.290 1.00 1.09 H new ATOM 0 HB3 PRO A 8 51.866 53.654 -35.424 1.00 1.09 H new ATOM 0 HG2 PRO A 8 49.099 52.989 -35.756 1.00 1.12 H new ATOM 0 HG3 PRO A 8 50.415 52.553 -36.827 1.00 1.12 H new ATOM 0 HD2 PRO A 8 48.932 50.807 -34.984 1.00 0.97 H new ATOM 0 HD3 PRO A 8 50.104 50.342 -36.202 1.00 0.97 H new ATOM 139 N LEU A 9 51.501 51.567 -31.538 1.00 0.78 N ATOM 140 CA LEU A 9 51.163 51.858 -30.127 1.00 0.82 C ATOM 141 C LEU A 9 52.086 51.101 -29.177 1.00 0.72 C ATOM 142 O LEU A 9 52.678 51.671 -28.281 1.00 0.84 O ATOM 143 CB LEU A 9 49.723 51.385 -29.957 1.00 0.87 C ATOM 144 CG LEU A 9 48.876 52.545 -29.450 1.00 1.12 C ATOM 145 CD1 LEU A 9 47.469 52.454 -30.047 1.00 1.82 C ATOM 146 CD2 LEU A 9 48.795 52.465 -27.927 1.00 1.60 C ATOM 0 H LEU A 9 51.895 50.643 -31.714 1.00 0.78 H new ATOM 0 HA LEU A 9 51.280 52.917 -29.895 1.00 0.82 H new ATOM 0 HB2 LEU A 9 49.332 51.020 -30.907 1.00 0.87 H new ATOM 0 HB3 LEU A 9 49.681 50.553 -29.254 1.00 0.87 H new ATOM 0 HG LEU A 9 49.327 53.492 -29.748 1.00 1.12 H new ATOM 0 HD11 LEU A 9 46.865 53.285 -29.683 1.00 1.82 H new ATOM 0 HD12 LEU A 9 47.531 52.500 -31.134 1.00 1.82 H new ATOM 0 HD13 LEU A 9 47.008 51.512 -29.749 1.00 1.82 H new ATOM 0 HD21 LEU A 9 48.191 53.291 -27.551 1.00 1.60 H new ATOM 0 HD22 LEU A 9 48.338 51.519 -27.636 1.00 1.60 H new ATOM 0 HD23 LEU A 9 49.798 52.528 -27.505 1.00 1.60 H new ATOM 158 N PHE A 10 52.204 49.820 -29.354 1.00 0.57 N ATOM 159 CA PHE A 10 53.079 49.033 -28.443 1.00 0.55 C ATOM 160 C PHE A 10 54.354 48.603 -29.159 1.00 0.49 C ATOM 161 O PHE A 10 54.560 48.893 -30.320 1.00 0.52 O ATOM 162 CB PHE A 10 52.272 47.802 -27.987 1.00 0.62 C ATOM 163 CG PHE A 10 51.012 47.623 -28.810 1.00 0.64 C ATOM 164 CD1 PHE A 10 49.880 48.400 -28.537 1.00 0.77 C ATOM 165 CD2 PHE A 10 50.974 46.669 -29.832 1.00 0.75 C ATOM 166 CE1 PHE A 10 48.713 48.227 -29.289 1.00 0.92 C ATOM 167 CE2 PHE A 10 49.807 46.491 -30.580 1.00 0.89 C ATOM 168 CZ PHE A 10 48.676 47.269 -30.309 1.00 0.94 C ATOM 0 H PHE A 10 51.737 49.284 -30.085 1.00 0.57 H new ATOM 0 HA PHE A 10 53.379 49.635 -27.586 1.00 0.55 H new ATOM 0 HB2 PHE A 10 52.891 46.909 -28.071 1.00 0.62 H new ATOM 0 HB3 PHE A 10 52.008 47.909 -26.935 1.00 0.62 H new ATOM 0 HD1 PHE A 10 49.908 49.134 -27.745 1.00 0.77 H new ATOM 0 HD2 PHE A 10 51.847 46.069 -30.043 1.00 0.75 H new ATOM 0 HE1 PHE A 10 47.842 48.832 -29.083 1.00 0.92 H new ATOM 0 HE2 PHE A 10 49.778 45.753 -31.368 1.00 0.89 H new ATOM 0 HZ PHE A 10 47.774 47.130 -30.887 1.00 0.94 H new ATOM 178 N TYR A 11 55.221 47.937 -28.454 1.00 0.47 N ATOM 179 CA TYR A 11 56.499 47.490 -29.054 1.00 0.44 C ATOM 180 C TYR A 11 56.955 46.191 -28.369 1.00 0.49 C ATOM 181 O TYR A 11 56.376 45.771 -27.388 1.00 0.62 O ATOM 182 CB TYR A 11 57.470 48.660 -28.820 1.00 0.42 C ATOM 183 CG TYR A 11 57.420 49.133 -27.375 1.00 0.44 C ATOM 184 CD1 TYR A 11 56.254 49.704 -26.836 1.00 0.69 C ATOM 185 CD2 TYR A 11 58.553 48.987 -26.571 1.00 0.70 C ATOM 186 CE1 TYR A 11 56.229 50.124 -25.500 1.00 0.80 C ATOM 187 CE2 TYR A 11 58.528 49.403 -25.234 1.00 0.76 C ATOM 188 CZ TYR A 11 57.367 49.970 -24.697 1.00 0.67 C ATOM 189 OH TYR A 11 57.345 50.380 -23.377 1.00 0.83 O ATOM 0 H TYR A 11 55.094 47.681 -27.475 1.00 0.47 H new ATOM 0 HA TYR A 11 56.430 47.259 -30.117 1.00 0.44 H new ATOM 0 HB2 TYR A 11 58.485 48.350 -29.069 1.00 0.42 H new ATOM 0 HB3 TYR A 11 57.216 49.486 -29.485 1.00 0.42 H new ATOM 0 HD1 TYR A 11 55.375 49.819 -27.453 1.00 0.69 H new ATOM 0 HD2 TYR A 11 59.452 48.552 -26.982 1.00 0.70 H new ATOM 0 HE1 TYR A 11 55.333 50.566 -25.089 1.00 0.80 H new ATOM 0 HE2 TYR A 11 59.406 49.286 -24.616 1.00 0.76 H new ATOM 0 HH TYR A 11 58.215 50.200 -22.964 1.00 0.83 H new ATOM 199 N LYS A 12 57.982 45.551 -28.865 1.00 0.50 N ATOM 200 CA LYS A 12 58.451 44.284 -28.217 1.00 0.59 C ATOM 201 C LYS A 12 59.878 44.460 -27.682 1.00 0.49 C ATOM 202 O LYS A 12 60.571 45.387 -28.047 1.00 0.49 O ATOM 203 CB LYS A 12 58.425 43.231 -29.322 1.00 0.74 C ATOM 204 CG LYS A 12 57.751 41.961 -28.800 1.00 1.20 C ATOM 205 CD LYS A 12 58.626 40.752 -29.130 1.00 1.50 C ATOM 206 CE LYS A 12 59.205 40.179 -27.836 1.00 1.68 C ATOM 207 NZ LYS A 12 59.824 38.883 -28.229 1.00 2.19 N ATOM 0 H LYS A 12 58.514 45.845 -29.684 1.00 0.50 H new ATOM 0 HA LYS A 12 57.823 44.001 -27.372 1.00 0.59 H new ATOM 0 HB2 LYS A 12 57.886 43.612 -30.189 1.00 0.74 H new ATOM 0 HB3 LYS A 12 59.440 43.008 -29.651 1.00 0.74 H new ATOM 0 HG2 LYS A 12 57.600 42.032 -27.723 1.00 1.20 H new ATOM 0 HG3 LYS A 12 56.766 41.846 -29.253 1.00 1.20 H new ATOM 0 HD2 LYS A 12 58.038 39.993 -29.646 1.00 1.50 H new ATOM 0 HD3 LYS A 12 59.431 41.044 -29.804 1.00 1.50 H new ATOM 0 HE2 LYS A 12 59.943 40.853 -27.402 1.00 1.68 H new ATOM 0 HE3 LYS A 12 58.427 40.033 -27.087 1.00 1.68 H new ATOM 0 HZ1 LYS A 12 60.243 38.430 -27.392 1.00 2.19 H new ATOM 0 HZ2 LYS A 12 59.096 38.259 -28.632 1.00 2.19 H new ATOM 0 HZ3 LYS A 12 60.566 39.053 -28.938 1.00 2.19 H new ATOM 221 N THR A 13 60.323 43.575 -26.826 1.00 0.64 N ATOM 222 CA THR A 13 61.707 43.693 -26.275 1.00 0.62 C ATOM 223 C THR A 13 62.658 42.745 -27.004 1.00 0.66 C ATOM 224 O THR A 13 62.326 41.612 -27.292 1.00 0.75 O ATOM 225 CB THR A 13 61.593 43.283 -24.807 1.00 0.70 C ATOM 226 OG1 THR A 13 60.856 44.268 -24.099 1.00 1.06 O ATOM 227 CG2 THR A 13 62.993 43.153 -24.201 1.00 1.08 C ATOM 0 H THR A 13 59.788 42.776 -26.485 1.00 0.64 H new ATOM 0 HA THR A 13 62.102 44.702 -26.395 1.00 0.62 H new ATOM 0 HB THR A 13 61.080 42.324 -24.735 1.00 0.70 H new ATOM 0 HG1 THR A 13 60.780 44.006 -23.158 1.00 1.06 H new ATOM 0 HG21 THR A 13 62.911 42.861 -23.154 1.00 1.08 H new ATOM 0 HG22 THR A 13 63.556 42.396 -24.746 1.00 1.08 H new ATOM 0 HG23 THR A 13 63.510 44.110 -24.271 1.00 1.08 H new ATOM 235 N CYS A 14 63.844 43.203 -27.300 1.00 0.65 N ATOM 236 CA CYS A 14 64.829 42.333 -28.003 1.00 0.76 C ATOM 237 C CYS A 14 65.921 41.938 -27.005 1.00 0.87 C ATOM 238 O CYS A 14 66.618 42.791 -26.490 1.00 0.99 O ATOM 239 CB CYS A 14 65.436 43.194 -29.121 1.00 0.75 C ATOM 240 SG CYS A 14 64.251 44.436 -29.724 1.00 1.34 S ATOM 0 H CYS A 14 64.174 44.144 -27.085 1.00 0.65 H new ATOM 0 HA CYS A 14 64.373 41.429 -28.407 1.00 0.76 H new ATOM 0 HB2 CYS A 14 66.332 43.693 -28.751 1.00 0.75 H new ATOM 0 HB3 CYS A 14 65.746 42.554 -29.947 1.00 0.75 H new ATOM 245 N PRO A 15 66.028 40.663 -26.739 1.00 1.06 N ATOM 246 CA PRO A 15 67.029 40.169 -25.767 1.00 1.31 C ATOM 247 C PRO A 15 68.457 40.530 -26.185 1.00 1.16 C ATOM 248 O PRO A 15 68.698 41.016 -27.271 1.00 1.40 O ATOM 249 CB PRO A 15 66.809 38.660 -25.804 1.00 1.54 C ATOM 250 CG PRO A 15 65.682 38.340 -26.800 1.00 1.54 C ATOM 251 CD PRO A 15 65.164 39.651 -27.390 1.00 1.24 C ATOM 0 HA PRO A 15 66.912 40.605 -24.775 1.00 1.31 H new ATOM 0 HB2 PRO A 15 67.728 38.153 -26.100 1.00 1.54 H new ATOM 0 HB3 PRO A 15 66.549 38.294 -24.811 1.00 1.54 H new ATOM 0 HG2 PRO A 15 66.051 37.689 -27.592 1.00 1.54 H new ATOM 0 HG3 PRO A 15 64.875 37.806 -26.299 1.00 1.54 H new ATOM 0 HD2 PRO A 15 65.261 39.673 -28.475 1.00 1.24 H new ATOM 0 HD3 PRO A 15 64.110 39.810 -27.161 1.00 1.24 H new ATOM 259 N ALA A 16 69.406 40.290 -25.321 1.00 1.32 N ATOM 260 CA ALA A 16 70.822 40.615 -25.653 1.00 1.21 C ATOM 261 C ALA A 16 71.212 39.976 -26.990 1.00 0.92 C ATOM 262 O ALA A 16 70.665 38.966 -27.388 1.00 1.02 O ATOM 263 CB ALA A 16 71.638 40.016 -24.509 1.00 1.58 C ATOM 0 H ALA A 16 69.261 39.882 -24.398 1.00 1.32 H new ATOM 0 HA ALA A 16 70.990 41.687 -25.756 1.00 1.21 H new ATOM 0 HB1 ALA A 16 72.697 40.211 -24.676 1.00 1.58 H new ATOM 0 HB2 ALA A 16 71.330 40.469 -23.566 1.00 1.58 H new ATOM 0 HB3 ALA A 16 71.470 38.940 -24.467 1.00 1.58 H new ATOM 269 N GLY A 17 72.145 40.562 -27.698 1.00 0.84 N ATOM 270 CA GLY A 17 72.552 39.987 -29.016 1.00 0.75 C ATOM 271 C GLY A 17 71.667 40.578 -30.112 1.00 0.63 C ATOM 272 O GLY A 17 72.051 40.667 -31.262 1.00 0.83 O ATOM 0 H GLY A 17 72.640 41.410 -27.422 1.00 0.84 H new ATOM 0 HA2 GLY A 17 73.600 40.211 -29.217 1.00 0.75 H new ATOM 0 HA3 GLY A 17 72.456 38.901 -28.999 1.00 0.75 H new ATOM 276 N LYS A 18 70.486 40.994 -29.755 1.00 0.60 N ATOM 277 CA LYS A 18 69.567 41.595 -30.752 1.00 0.58 C ATOM 278 C LYS A 18 69.578 43.114 -30.587 1.00 0.59 C ATOM 279 O LYS A 18 69.325 43.630 -29.517 1.00 0.88 O ATOM 280 CB LYS A 18 68.196 41.019 -30.404 1.00 0.71 C ATOM 281 CG LYS A 18 67.366 40.869 -31.673 1.00 1.60 C ATOM 282 CD LYS A 18 66.150 39.992 -31.373 1.00 2.39 C ATOM 283 CE LYS A 18 66.374 38.599 -31.966 1.00 2.98 C ATOM 284 NZ LYS A 18 65.678 37.663 -31.037 1.00 3.59 N ATOM 0 H LYS A 18 70.117 40.942 -28.806 1.00 0.60 H new ATOM 0 HA LYS A 18 69.844 41.378 -31.784 1.00 0.58 H new ATOM 0 HB2 LYS A 18 68.310 40.051 -29.916 1.00 0.71 H new ATOM 0 HB3 LYS A 18 67.684 41.673 -29.698 1.00 0.71 H new ATOM 0 HG2 LYS A 18 67.045 41.847 -32.031 1.00 1.60 H new ATOM 0 HG3 LYS A 18 67.967 40.421 -32.465 1.00 1.60 H new ATOM 0 HD2 LYS A 18 65.995 39.921 -30.296 1.00 2.39 H new ATOM 0 HD3 LYS A 18 65.251 40.440 -31.796 1.00 2.39 H new ATOM 0 HE2 LYS A 18 65.965 38.530 -32.974 1.00 2.98 H new ATOM 0 HE3 LYS A 18 67.437 38.367 -32.036 1.00 2.98 H new ATOM 0 HZ1 LYS A 18 65.789 36.687 -31.380 1.00 3.59 H new ATOM 0 HZ2 LYS A 18 66.092 37.745 -30.087 1.00 3.59 H new ATOM 0 HZ3 LYS A 18 64.667 37.903 -30.996 1.00 3.59 H new ATOM 298 N ASN A 19 69.866 43.835 -31.632 1.00 0.40 N ATOM 299 CA ASN A 19 69.894 45.308 -31.529 1.00 0.50 C ATOM 300 C ASN A 19 69.061 45.887 -32.662 1.00 0.47 C ATOM 301 O ASN A 19 69.060 47.080 -32.898 1.00 0.60 O ATOM 302 CB ASN A 19 71.368 45.682 -31.688 1.00 0.65 C ATOM 303 CG ASN A 19 71.920 45.043 -32.965 1.00 1.16 C ATOM 304 OD1 ASN A 19 71.563 45.438 -34.057 1.00 1.93 O ATOM 305 ND2 ASN A 19 72.782 44.067 -32.876 1.00 1.75 N ATOM 0 H ASN A 19 70.084 43.460 -32.555 1.00 0.40 H new ATOM 0 HA ASN A 19 69.488 45.688 -30.591 1.00 0.50 H new ATOM 0 HB2 ASN A 19 71.477 46.766 -31.734 1.00 0.65 H new ATOM 0 HB3 ASN A 19 71.936 45.341 -30.823 1.00 0.65 H new ATOM 0 HD21 ASN A 19 73.155 43.637 -33.723 1.00 1.75 H new ATOM 0 HD22 ASN A 19 73.083 43.734 -31.960 1.00 1.75 H new ATOM 312 N LEU A 20 68.350 45.052 -33.379 1.00 0.40 N ATOM 313 CA LEU A 20 67.536 45.588 -34.486 1.00 0.48 C ATOM 314 C LEU A 20 66.061 45.259 -34.301 1.00 0.38 C ATOM 315 O LEU A 20 65.633 44.713 -33.302 1.00 0.56 O ATOM 316 CB LEU A 20 68.025 44.939 -35.799 1.00 0.64 C ATOM 317 CG LEU A 20 69.465 44.427 -35.709 1.00 0.77 C ATOM 318 CD1 LEU A 20 69.486 42.972 -36.165 1.00 1.13 C ATOM 319 CD2 LEU A 20 70.346 45.255 -36.647 1.00 1.34 C ATOM 0 H LEU A 20 68.305 44.042 -33.241 1.00 0.40 H new ATOM 0 HA LEU A 20 67.645 46.672 -34.510 1.00 0.48 H new ATOM 0 HB2 LEU A 20 67.365 44.110 -36.057 1.00 0.64 H new ATOM 0 HB3 LEU A 20 67.953 45.667 -36.607 1.00 0.64 H new ATOM 0 HG LEU A 20 69.835 44.510 -34.687 1.00 0.77 H new ATOM 0 HD11 LEU A 20 70.504 42.588 -36.108 1.00 1.13 H new ATOM 0 HD12 LEU A 20 68.838 42.379 -35.520 1.00 1.13 H new ATOM 0 HD13 LEU A 20 69.131 42.908 -37.193 1.00 1.13 H new ATOM 0 HD21 LEU A 20 71.374 44.898 -36.590 1.00 1.34 H new ATOM 0 HD22 LEU A 20 69.983 45.155 -37.670 1.00 1.34 H new ATOM 0 HD23 LEU A 20 70.309 46.303 -36.350 1.00 1.34 H new ATOM 331 N CYS A 21 65.295 45.578 -35.294 1.00 0.29 N ATOM 332 CA CYS A 21 63.838 45.297 -35.270 1.00 0.31 C ATOM 333 C CYS A 21 63.465 44.732 -36.632 1.00 0.32 C ATOM 334 O CYS A 21 63.911 45.242 -37.645 1.00 0.49 O ATOM 335 CB CYS A 21 63.179 46.657 -35.041 1.00 0.44 C ATOM 336 SG CYS A 21 63.964 47.469 -33.631 1.00 0.57 S ATOM 0 H CYS A 21 65.624 46.034 -36.145 1.00 0.29 H new ATOM 0 HA CYS A 21 63.531 44.585 -34.504 1.00 0.31 H new ATOM 0 HB2 CYS A 21 63.276 47.276 -35.933 1.00 0.44 H new ATOM 0 HB3 CYS A 21 62.112 46.531 -34.855 1.00 0.44 H new ATOM 341 N TYR A 22 62.698 43.671 -36.681 1.00 0.30 N ATOM 342 CA TYR A 22 62.369 43.088 -38.009 1.00 0.31 C ATOM 343 C TYR A 22 60.918 43.330 -38.415 1.00 0.31 C ATOM 344 O TYR A 22 60.020 43.403 -37.600 1.00 0.41 O ATOM 345 CB TYR A 22 62.660 41.594 -37.901 1.00 0.36 C ATOM 346 CG TYR A 22 61.521 40.873 -37.230 1.00 0.38 C ATOM 347 CD1 TYR A 22 60.401 40.518 -37.974 1.00 0.54 C ATOM 348 CD2 TYR A 22 61.597 40.547 -35.875 1.00 0.47 C ATOM 349 CE1 TYR A 22 59.343 39.835 -37.366 1.00 0.63 C ATOM 350 CE2 TYR A 22 60.543 39.861 -35.261 1.00 0.52 C ATOM 351 CZ TYR A 22 59.414 39.505 -36.008 1.00 0.55 C ATOM 352 OH TYR A 22 58.373 38.831 -35.405 1.00 0.66 O ATOM 0 H TYR A 22 62.295 43.194 -35.874 1.00 0.30 H new ATOM 0 HA TYR A 22 62.968 43.564 -38.785 1.00 0.31 H new ATOM 0 HB2 TYR A 22 62.824 41.178 -38.895 1.00 0.36 H new ATOM 0 HB3 TYR A 22 63.578 41.438 -37.335 1.00 0.36 H new ATOM 0 HD1 TYR A 22 60.348 40.770 -39.023 1.00 0.54 H new ATOM 0 HD2 TYR A 22 62.469 40.824 -35.301 1.00 0.47 H new ATOM 0 HE1 TYR A 22 58.472 39.563 -37.944 1.00 0.63 H new ATOM 0 HE2 TYR A 22 60.601 39.607 -34.213 1.00 0.52 H new ATOM 0 HH TYR A 22 58.585 38.680 -34.460 1.00 0.66 H new ATOM 362 N LYS A 23 60.698 43.429 -39.691 1.00 0.39 N ATOM 363 CA LYS A 23 59.327 43.639 -40.217 1.00 0.44 C ATOM 364 C LYS A 23 59.171 42.774 -41.462 1.00 0.45 C ATOM 365 O LYS A 23 59.826 43.002 -42.457 1.00 0.54 O ATOM 366 CB LYS A 23 59.265 45.114 -40.584 1.00 0.56 C ATOM 367 CG LYS A 23 57.814 45.561 -40.642 1.00 1.11 C ATOM 368 CD LYS A 23 57.638 46.843 -39.831 1.00 1.49 C ATOM 369 CE LYS A 23 57.973 48.051 -40.711 1.00 1.72 C ATOM 370 NZ LYS A 23 59.349 48.452 -40.307 1.00 2.18 N ATOM 0 H LYS A 23 61.424 43.372 -40.405 1.00 0.39 H new ATOM 0 HA LYS A 23 58.541 43.377 -39.509 1.00 0.44 H new ATOM 0 HB2 LYS A 23 59.810 45.706 -39.849 1.00 0.56 H new ATOM 0 HB3 LYS A 23 59.747 45.281 -41.547 1.00 0.56 H new ATOM 0 HG2 LYS A 23 57.517 45.730 -41.677 1.00 1.11 H new ATOM 0 HG3 LYS A 23 57.166 44.778 -40.248 1.00 1.11 H new ATOM 0 HD2 LYS A 23 56.614 46.918 -39.466 1.00 1.49 H new ATOM 0 HD3 LYS A 23 58.288 46.825 -38.956 1.00 1.49 H new ATOM 0 HE2 LYS A 23 57.932 47.792 -41.769 1.00 1.72 H new ATOM 0 HE3 LYS A 23 57.263 48.863 -40.554 1.00 1.72 H new ATOM 0 HZ1 LYS A 23 59.873 48.784 -41.142 1.00 2.18 H new ATOM 0 HZ2 LYS A 23 59.296 49.217 -39.605 1.00 2.18 H new ATOM 0 HZ3 LYS A 23 59.841 47.635 -39.892 1.00 2.18 H new ATOM 384 N MET A 24 58.355 41.765 -41.422 1.00 0.47 N ATOM 385 CA MET A 24 58.249 40.893 -42.630 1.00 0.53 C ATOM 386 C MET A 24 56.894 41.039 -43.319 1.00 0.53 C ATOM 387 O MET A 24 55.850 40.824 -42.730 1.00 0.59 O ATOM 388 CB MET A 24 58.458 39.444 -42.154 1.00 0.63 C ATOM 389 CG MET A 24 59.392 39.387 -40.936 1.00 0.99 C ATOM 390 SD MET A 24 58.931 37.990 -39.884 1.00 1.69 S ATOM 391 CE MET A 24 59.005 36.714 -41.161 1.00 2.37 C ATOM 0 H MET A 24 57.768 41.505 -40.629 1.00 0.47 H new ATOM 0 HA MET A 24 59.000 41.182 -43.366 1.00 0.53 H new ATOM 0 HB2 MET A 24 57.496 39.000 -41.898 1.00 0.63 H new ATOM 0 HB3 MET A 24 58.878 38.849 -42.965 1.00 0.63 H new ATOM 0 HG2 MET A 24 60.427 39.283 -41.263 1.00 0.99 H new ATOM 0 HG3 MET A 24 59.328 40.317 -40.372 1.00 0.99 H new ATOM 0 HE1 MET A 24 58.048 36.195 -41.212 1.00 2.37 H new ATOM 0 HE2 MET A 24 59.219 37.176 -42.125 1.00 2.37 H new ATOM 0 HE3 MET A 24 59.792 36.001 -40.917 1.00 2.37 H new ATOM 401 N PHE A 25 56.914 41.377 -44.580 1.00 0.53 N ATOM 402 CA PHE A 25 55.647 41.513 -45.351 1.00 0.58 C ATOM 403 C PHE A 25 55.910 41.176 -46.823 1.00 0.50 C ATOM 404 O PHE A 25 56.955 40.665 -47.172 1.00 0.49 O ATOM 405 CB PHE A 25 55.213 42.971 -45.194 1.00 0.70 C ATOM 406 CG PHE A 25 56.412 43.885 -45.291 1.00 0.61 C ATOM 407 CD1 PHE A 25 56.957 44.203 -46.544 1.00 0.84 C ATOM 408 CD2 PHE A 25 56.971 44.425 -44.127 1.00 0.78 C ATOM 409 CE1 PHE A 25 58.059 45.061 -46.627 1.00 0.86 C ATOM 410 CE2 PHE A 25 58.074 45.281 -44.211 1.00 0.83 C ATOM 411 CZ PHE A 25 58.617 45.600 -45.460 1.00 0.70 C ATOM 0 H PHE A 25 57.763 41.566 -45.113 1.00 0.53 H new ATOM 0 HA PHE A 25 54.870 40.837 -44.993 1.00 0.58 H new ATOM 0 HB2 PHE A 25 54.488 43.227 -45.966 1.00 0.70 H new ATOM 0 HB3 PHE A 25 54.718 43.109 -44.233 1.00 0.70 H new ATOM 0 HD1 PHE A 25 56.527 43.786 -47.443 1.00 0.84 H new ATOM 0 HD2 PHE A 25 56.550 44.180 -43.163 1.00 0.78 H new ATOM 0 HE1 PHE A 25 58.480 45.308 -47.591 1.00 0.86 H new ATOM 0 HE2 PHE A 25 58.506 45.695 -43.312 1.00 0.83 H new ATOM 0 HZ PHE A 25 59.467 46.263 -45.525 1.00 0.70 H new ATOM 421 N MET A 26 54.979 41.465 -47.688 1.00 0.56 N ATOM 422 CA MET A 26 55.191 41.168 -49.135 1.00 0.61 C ATOM 423 C MET A 26 55.653 42.435 -49.859 1.00 0.69 C ATOM 424 O MET A 26 55.401 43.537 -49.417 1.00 1.30 O ATOM 425 CB MET A 26 53.824 40.717 -49.649 1.00 0.72 C ATOM 426 CG MET A 26 53.311 39.573 -48.774 1.00 0.91 C ATOM 427 SD MET A 26 52.836 38.173 -49.815 1.00 1.46 S ATOM 428 CE MET A 26 53.819 36.917 -48.959 1.00 1.96 C ATOM 0 H MET A 26 54.082 41.893 -47.458 1.00 0.56 H new ATOM 0 HA MET A 26 55.954 40.408 -49.302 1.00 0.61 H new ATOM 0 HB2 MET A 26 53.121 41.550 -49.628 1.00 0.72 H new ATOM 0 HB3 MET A 26 53.901 40.391 -50.686 1.00 0.72 H new ATOM 0 HG2 MET A 26 54.084 39.268 -48.068 1.00 0.91 H new ATOM 0 HG3 MET A 26 52.456 39.907 -48.186 1.00 0.91 H new ATOM 0 HE1 MET A 26 53.676 35.951 -49.443 1.00 1.96 H new ATOM 0 HE2 MET A 26 54.873 37.190 -48.999 1.00 1.96 H new ATOM 0 HE3 MET A 26 53.500 36.852 -47.919 1.00 1.96 H new ATOM 438 N VAL A 27 56.333 42.290 -50.960 1.00 0.76 N ATOM 439 CA VAL A 27 56.810 43.493 -51.697 1.00 0.80 C ATOM 440 C VAL A 27 55.624 44.252 -52.302 1.00 0.91 C ATOM 441 O VAL A 27 55.726 45.417 -52.632 1.00 1.08 O ATOM 442 CB VAL A 27 57.722 42.941 -52.789 1.00 0.93 C ATOM 443 CG1 VAL A 27 57.886 43.979 -53.899 1.00 1.11 C ATOM 444 CG2 VAL A 27 59.094 42.631 -52.188 1.00 1.06 C ATOM 0 H VAL A 27 56.579 41.394 -51.381 1.00 0.76 H new ATOM 0 HA VAL A 27 57.331 44.200 -51.051 1.00 0.80 H new ATOM 0 HB VAL A 27 57.282 42.034 -53.203 1.00 0.93 H new ATOM 0 HG11 VAL A 27 58.538 43.580 -54.676 1.00 1.11 H new ATOM 0 HG12 VAL A 27 56.911 44.211 -54.327 1.00 1.11 H new ATOM 0 HG13 VAL A 27 58.326 44.887 -53.486 1.00 1.11 H new ATOM 0 HG21 VAL A 27 59.750 42.236 -52.964 1.00 1.06 H new ATOM 0 HG22 VAL A 27 59.526 43.544 -51.777 1.00 1.06 H new ATOM 0 HG23 VAL A 27 58.985 41.892 -51.394 1.00 1.06 H new ATOM 454 N ALA A 28 54.498 43.605 -52.444 1.00 0.94 N ATOM 455 CA ALA A 28 53.312 44.301 -53.021 1.00 1.10 C ATOM 456 C ALA A 28 53.099 45.629 -52.294 1.00 1.12 C ATOM 457 O ALA A 28 53.009 46.676 -52.903 1.00 1.33 O ATOM 458 CB ALA A 28 52.133 43.355 -52.782 1.00 1.15 C ATOM 0 H ALA A 28 54.349 42.629 -52.187 1.00 0.94 H new ATOM 0 HA ALA A 28 53.431 44.526 -54.081 1.00 1.10 H new ATOM 0 HB1 ALA A 28 51.222 43.801 -53.181 1.00 1.15 H new ATOM 0 HB2 ALA A 28 52.321 42.405 -53.282 1.00 1.15 H new ATOM 0 HB3 ALA A 28 52.015 43.184 -51.712 1.00 1.15 H new ATOM 464 N THR A 29 53.032 45.595 -50.992 1.00 1.00 N ATOM 465 CA THR A 29 52.842 46.856 -50.224 1.00 1.09 C ATOM 466 C THR A 29 54.048 47.075 -49.294 1.00 0.90 C ATOM 467 O THR A 29 54.077 46.573 -48.188 1.00 0.93 O ATOM 468 CB THR A 29 51.552 46.648 -49.429 1.00 1.33 C ATOM 469 OG1 THR A 29 51.672 45.484 -48.625 1.00 1.93 O ATOM 470 CG2 THR A 29 50.379 46.481 -50.398 1.00 1.85 C ATOM 0 H THR A 29 53.101 44.748 -50.427 1.00 1.00 H new ATOM 0 HA THR A 29 52.771 47.737 -50.862 1.00 1.09 H new ATOM 0 HB THR A 29 51.376 47.513 -48.789 1.00 1.33 H new ATOM 0 HG1 THR A 29 52.543 45.485 -48.175 1.00 1.93 H new ATOM 0 HG21 THR A 29 49.459 46.333 -49.833 1.00 1.85 H new ATOM 0 HG22 THR A 29 50.286 47.375 -51.014 1.00 1.85 H new ATOM 0 HG23 THR A 29 50.556 45.616 -51.037 1.00 1.85 H new ATOM 478 N PRO A 30 55.018 47.805 -49.794 1.00 0.99 N ATOM 479 CA PRO A 30 56.260 48.083 -49.031 1.00 1.03 C ATOM 480 C PRO A 30 55.969 48.781 -47.701 1.00 0.85 C ATOM 481 O PRO A 30 56.664 48.574 -46.725 1.00 0.90 O ATOM 482 CB PRO A 30 57.037 49.007 -49.976 1.00 1.44 C ATOM 483 CG PRO A 30 56.207 49.219 -51.256 1.00 1.67 C ATOM 484 CD PRO A 30 54.919 48.397 -51.149 1.00 1.36 C ATOM 0 HA PRO A 30 56.801 47.177 -48.759 1.00 1.03 H new ATOM 0 HB2 PRO A 30 57.234 49.963 -49.491 1.00 1.44 H new ATOM 0 HB3 PRO A 30 58.004 48.569 -50.222 1.00 1.44 H new ATOM 0 HG2 PRO A 30 55.971 50.276 -51.383 1.00 1.67 H new ATOM 0 HG3 PRO A 30 56.779 48.913 -52.132 1.00 1.67 H new ATOM 0 HD2 PRO A 30 54.031 49.021 -51.254 1.00 1.36 H new ATOM 0 HD3 PRO A 30 54.863 47.631 -51.922 1.00 1.36 H new ATOM 492 N LYS A 31 54.965 49.611 -47.639 1.00 0.96 N ATOM 493 CA LYS A 31 54.683 50.300 -46.351 1.00 1.02 C ATOM 494 C LYS A 31 53.438 49.722 -45.677 1.00 0.94 C ATOM 495 O LYS A 31 52.733 50.403 -44.958 1.00 1.09 O ATOM 496 CB LYS A 31 54.495 51.771 -46.696 1.00 1.39 C ATOM 497 CG LYS A 31 55.305 52.607 -45.707 1.00 1.90 C ATOM 498 CD LYS A 31 54.994 54.086 -45.909 1.00 2.38 C ATOM 499 CE LYS A 31 56.167 54.925 -45.399 1.00 2.81 C ATOM 500 NZ LYS A 31 57.074 55.088 -46.572 1.00 3.08 N ATOM 0 H LYS A 31 54.338 49.839 -48.410 1.00 0.96 H new ATOM 0 HA LYS A 31 55.498 50.164 -45.641 1.00 1.02 H new ATOM 0 HB2 LYS A 31 54.825 51.966 -47.716 1.00 1.39 H new ATOM 0 HB3 LYS A 31 53.440 52.040 -46.645 1.00 1.39 H new ATOM 0 HG2 LYS A 31 55.066 52.312 -44.685 1.00 1.90 H new ATOM 0 HG3 LYS A 31 56.370 52.427 -45.850 1.00 1.90 H new ATOM 0 HD2 LYS A 31 54.818 54.291 -46.965 1.00 2.38 H new ATOM 0 HD3 LYS A 31 54.082 54.354 -45.376 1.00 2.38 H new ATOM 0 HE2 LYS A 31 55.827 55.892 -45.028 1.00 2.81 H new ATOM 0 HE3 LYS A 31 56.677 54.428 -44.574 1.00 2.81 H new ATOM 0 HZ1 LYS A 31 57.901 55.654 -46.295 1.00 3.08 H new ATOM 0 HZ2 LYS A 31 57.389 54.153 -46.900 1.00 3.08 H new ATOM 0 HZ3 LYS A 31 56.565 55.571 -47.340 1.00 3.08 H new ATOM 514 N VAL A 32 53.189 48.458 -45.873 1.00 0.83 N ATOM 515 CA VAL A 32 52.021 47.809 -45.213 1.00 0.87 C ATOM 516 C VAL A 32 52.503 46.534 -44.518 1.00 0.69 C ATOM 517 O VAL A 32 51.999 45.458 -44.774 1.00 0.70 O ATOM 518 CB VAL A 32 51.041 47.472 -46.333 1.00 1.10 C ATOM 519 CG1 VAL A 32 49.835 46.740 -45.742 1.00 1.65 C ATOM 520 CG2 VAL A 32 50.570 48.762 -47.003 1.00 1.72 C ATOM 0 H VAL A 32 53.747 47.843 -46.465 1.00 0.83 H new ATOM 0 HA VAL A 32 51.549 48.448 -44.467 1.00 0.87 H new ATOM 0 HB VAL A 32 51.533 46.838 -47.071 1.00 1.10 H new ATOM 0 HG11 VAL A 32 49.131 46.497 -46.538 1.00 1.65 H new ATOM 0 HG12 VAL A 32 50.168 45.822 -45.259 1.00 1.65 H new ATOM 0 HG13 VAL A 32 49.345 47.380 -45.008 1.00 1.65 H new ATOM 0 HG21 VAL A 32 49.870 48.522 -47.803 1.00 1.72 H new ATOM 0 HG22 VAL A 32 50.076 49.395 -46.266 1.00 1.72 H new ATOM 0 HG23 VAL A 32 51.428 49.291 -47.418 1.00 1.72 H new ATOM 530 N PRO A 33 53.490 46.695 -43.672 1.00 0.67 N ATOM 531 CA PRO A 33 54.079 45.547 -42.949 1.00 0.65 C ATOM 532 C PRO A 33 53.026 44.745 -42.188 1.00 0.67 C ATOM 533 O PRO A 33 52.060 45.283 -41.681 1.00 0.79 O ATOM 534 CB PRO A 33 55.047 46.226 -41.982 1.00 0.82 C ATOM 535 CG PRO A 33 54.975 47.749 -42.188 1.00 0.91 C ATOM 536 CD PRO A 33 54.063 48.033 -43.384 1.00 0.84 C ATOM 0 HA PRO A 33 54.550 44.825 -43.616 1.00 0.65 H new ATOM 0 HB2 PRO A 33 54.791 45.973 -40.953 1.00 0.82 H new ATOM 0 HB3 PRO A 33 56.063 45.870 -42.154 1.00 0.82 H new ATOM 0 HG2 PRO A 33 54.588 48.235 -41.292 1.00 0.91 H new ATOM 0 HG3 PRO A 33 55.971 48.155 -42.366 1.00 0.91 H new ATOM 0 HD2 PRO A 33 53.290 48.762 -43.141 1.00 0.84 H new ATOM 0 HD3 PRO A 33 54.619 48.428 -44.234 1.00 0.84 H new ATOM 544 N VAL A 34 53.228 43.459 -42.090 1.00 0.64 N ATOM 545 CA VAL A 34 52.276 42.600 -41.351 1.00 0.72 C ATOM 546 C VAL A 34 52.947 42.061 -40.084 1.00 0.63 C ATOM 547 O VAL A 34 52.309 41.887 -39.065 1.00 0.79 O ATOM 548 CB VAL A 34 51.917 41.475 -42.313 1.00 0.84 C ATOM 549 CG1 VAL A 34 51.170 42.066 -43.506 1.00 1.32 C ATOM 550 CG2 VAL A 34 53.190 40.789 -42.798 1.00 1.19 C ATOM 0 H VAL A 34 54.023 42.967 -42.497 1.00 0.64 H new ATOM 0 HA VAL A 34 51.384 43.138 -41.031 1.00 0.72 H new ATOM 0 HB VAL A 34 51.288 40.743 -41.806 1.00 0.84 H new ATOM 0 HG11 VAL A 34 50.908 41.269 -44.202 1.00 1.32 H new ATOM 0 HG12 VAL A 34 50.262 42.558 -43.159 1.00 1.32 H new ATOM 0 HG13 VAL A 34 51.807 42.793 -44.010 1.00 1.32 H new ATOM 0 HG21 VAL A 34 52.930 39.985 -43.486 1.00 1.19 H new ATOM 0 HG22 VAL A 34 53.822 41.515 -43.310 1.00 1.19 H new ATOM 0 HG23 VAL A 34 53.729 40.377 -41.945 1.00 1.19 H new ATOM 560 N LYS A 35 54.234 41.810 -40.130 1.00 0.46 N ATOM 561 CA LYS A 35 54.933 41.304 -38.907 1.00 0.45 C ATOM 562 C LYS A 35 55.908 42.367 -38.383 1.00 0.39 C ATOM 563 O LYS A 35 56.573 43.044 -39.144 1.00 0.51 O ATOM 564 CB LYS A 35 55.695 40.047 -39.337 1.00 0.59 C ATOM 565 CG LYS A 35 54.936 38.793 -38.887 1.00 0.90 C ATOM 566 CD LYS A 35 55.729 38.105 -37.771 1.00 1.38 C ATOM 567 CE LYS A 35 54.902 38.096 -36.486 1.00 1.90 C ATOM 568 NZ LYS A 35 55.071 39.465 -35.920 1.00 2.50 N ATOM 0 H LYS A 35 54.825 41.932 -40.952 1.00 0.46 H new ATOM 0 HA LYS A 35 54.228 41.082 -38.106 1.00 0.45 H new ATOM 0 HB2 LYS A 35 55.817 40.039 -40.420 1.00 0.59 H new ATOM 0 HB3 LYS A 35 56.695 40.052 -38.903 1.00 0.59 H new ATOM 0 HG2 LYS A 35 53.941 39.062 -38.532 1.00 0.90 H new ATOM 0 HG3 LYS A 35 54.801 38.112 -39.728 1.00 0.90 H new ATOM 0 HD2 LYS A 35 55.977 37.085 -38.063 1.00 1.38 H new ATOM 0 HD3 LYS A 35 56.671 38.627 -37.605 1.00 1.38 H new ATOM 0 HE2 LYS A 35 53.854 37.878 -36.691 1.00 1.90 H new ATOM 0 HE3 LYS A 35 55.256 37.334 -35.792 1.00 1.90 H new ATOM 0 HZ1 LYS A 35 55.156 39.405 -34.885 1.00 2.50 H new ATOM 0 HZ2 LYS A 35 55.930 39.899 -36.313 1.00 2.50 H new ATOM 0 HZ3 LYS A 35 54.245 40.047 -36.167 1.00 2.50 H new ATOM 582 N ARG A 36 55.989 42.511 -37.086 1.00 0.34 N ATOM 583 CA ARG A 36 56.907 43.531 -36.483 1.00 0.33 C ATOM 584 C ARG A 36 57.490 43.006 -35.160 1.00 0.36 C ATOM 585 O ARG A 36 56.782 42.855 -34.184 1.00 0.42 O ATOM 586 CB ARG A 36 56.012 44.746 -36.219 1.00 0.37 C ATOM 587 CG ARG A 36 56.157 45.761 -37.353 1.00 0.54 C ATOM 588 CD ARG A 36 56.681 47.079 -36.786 1.00 0.83 C ATOM 589 NE ARG A 36 55.717 48.104 -37.274 1.00 0.89 N ATOM 590 CZ ARG A 36 55.571 49.234 -36.637 1.00 1.07 C ATOM 591 NH1 ARG A 36 55.737 49.289 -35.345 1.00 1.27 N ATOM 592 NH2 ARG A 36 55.250 50.312 -37.297 1.00 1.76 N ATOM 0 H ARG A 36 55.456 41.963 -36.411 1.00 0.34 H new ATOM 0 HA ARG A 36 57.750 43.767 -37.133 1.00 0.33 H new ATOM 0 HB2 ARG A 36 54.972 44.430 -36.134 1.00 0.37 H new ATOM 0 HB3 ARG A 36 56.283 45.208 -35.270 1.00 0.37 H new ATOM 0 HG2 ARG A 36 56.841 45.381 -38.112 1.00 0.54 H new ATOM 0 HG3 ARG A 36 55.195 45.918 -37.841 1.00 0.54 H new ATOM 0 HD2 ARG A 36 56.718 47.056 -35.697 1.00 0.83 H new ATOM 0 HD3 ARG A 36 57.692 47.287 -37.135 1.00 0.83 H new ATOM 0 HE ARG A 36 55.166 47.922 -38.113 1.00 0.89 H new ATOM 0 HH11 ARG A 36 55.982 48.446 -34.826 1.00 1.27 H new ATOM 0 HH12 ARG A 36 55.621 50.175 -34.853 1.00 1.27 H new ATOM 0 HH21 ARG A 36 55.114 50.270 -38.307 1.00 1.76 H new ATOM 0 HH22 ARG A 36 55.135 51.197 -36.803 1.00 1.76 H new ATOM 606 N GLY A 37 58.766 42.722 -35.114 1.00 0.34 N ATOM 607 CA GLY A 37 59.363 42.201 -33.839 1.00 0.39 C ATOM 608 C GLY A 37 60.835 42.620 -33.708 1.00 0.38 C ATOM 609 O GLY A 37 61.240 43.658 -34.190 1.00 0.44 O ATOM 0 H GLY A 37 59.417 42.825 -35.892 1.00 0.34 H new ATOM 0 HA2 GLY A 37 58.797 42.578 -32.987 1.00 0.39 H new ATOM 0 HA3 GLY A 37 59.287 41.114 -33.816 1.00 0.39 H new ATOM 613 N CYS A 38 61.635 41.812 -33.049 1.00 0.40 N ATOM 614 CA CYS A 38 63.084 42.152 -32.868 1.00 0.41 C ATOM 615 C CYS A 38 63.961 41.140 -33.592 1.00 0.39 C ATOM 616 O CYS A 38 63.678 39.960 -33.601 1.00 0.42 O ATOM 617 CB CYS A 38 63.348 42.025 -31.362 1.00 0.52 C ATOM 618 SG CYS A 38 62.653 43.431 -30.464 1.00 1.14 S ATOM 0 H CYS A 38 61.345 40.929 -32.628 1.00 0.40 H new ATOM 0 HA CYS A 38 63.306 43.144 -33.260 1.00 0.41 H new ATOM 0 HB2 CYS A 38 62.911 41.099 -30.989 1.00 0.52 H new ATOM 0 HB3 CYS A 38 64.421 41.967 -31.181 1.00 0.52 H new ATOM 623 N ILE A 39 65.034 41.578 -34.183 1.00 0.38 N ATOM 624 CA ILE A 39 65.923 40.611 -34.876 1.00 0.39 C ATOM 625 C ILE A 39 67.396 40.930 -34.610 1.00 0.43 C ATOM 626 O ILE A 39 67.782 42.061 -34.361 1.00 0.48 O ATOM 627 CB ILE A 39 65.578 40.725 -36.368 1.00 0.38 C ATOM 628 CG1 ILE A 39 64.632 39.576 -36.727 1.00 0.39 C ATOM 629 CG2 ILE A 39 66.846 40.635 -37.231 1.00 0.43 C ATOM 630 CD1 ILE A 39 64.469 39.473 -38.245 1.00 0.42 C ATOM 0 H ILE A 39 65.332 42.553 -34.216 1.00 0.38 H new ATOM 0 HA ILE A 39 65.771 39.594 -34.515 1.00 0.39 H new ATOM 0 HB ILE A 39 65.107 41.689 -36.559 1.00 0.38 H new ATOM 0 HG12 ILE A 39 65.023 38.638 -36.332 1.00 0.39 H new ATOM 0 HG13 ILE A 39 63.660 39.738 -36.261 1.00 0.39 H new ATOM 0 HG21 ILE A 39 66.576 40.718 -38.284 1.00 0.43 H new ATOM 0 HG22 ILE A 39 67.525 41.445 -36.965 1.00 0.43 H new ATOM 0 HG23 ILE A 39 67.337 39.678 -37.057 1.00 0.43 H new ATOM 0 HD11 ILE A 39 63.794 38.651 -38.483 1.00 0.42 H new ATOM 0 HD12 ILE A 39 64.057 40.405 -38.631 1.00 0.42 H new ATOM 0 HD13 ILE A 39 65.441 39.289 -38.704 1.00 0.42 H new ATOM 642 N ASP A 40 68.206 39.912 -34.680 1.00 0.48 N ATOM 643 CA ASP A 40 69.671 40.063 -34.466 1.00 0.56 C ATOM 644 C ASP A 40 70.384 39.704 -35.779 1.00 0.58 C ATOM 645 O ASP A 40 71.464 40.178 -36.072 1.00 0.67 O ATOM 646 CB ASP A 40 69.998 39.060 -33.349 1.00 0.67 C ATOM 647 CG ASP A 40 71.372 38.418 -33.579 1.00 1.31 C ATOM 648 OD1 ASP A 40 72.334 39.154 -33.718 1.00 1.94 O ATOM 649 OD2 ASP A 40 71.435 37.199 -33.611 1.00 2.02 O ATOM 0 H ASP A 40 67.906 38.958 -34.882 1.00 0.48 H new ATOM 0 HA ASP A 40 69.984 41.070 -34.190 1.00 0.56 H new ATOM 0 HB2 ASP A 40 69.985 39.567 -32.384 1.00 0.67 H new ATOM 0 HB3 ASP A 40 69.231 38.286 -33.313 1.00 0.67 H new ATOM 654 N VAL A 41 69.755 38.875 -36.571 1.00 0.56 N ATOM 655 CA VAL A 41 70.337 38.463 -37.881 1.00 0.63 C ATOM 656 C VAL A 41 69.213 38.416 -38.925 1.00 0.58 C ATOM 657 O VAL A 41 68.578 37.400 -39.121 1.00 0.68 O ATOM 658 CB VAL A 41 70.903 37.063 -37.644 1.00 0.76 C ATOM 659 CG1 VAL A 41 69.847 36.212 -36.938 1.00 1.54 C ATOM 660 CG2 VAL A 41 71.268 36.421 -38.987 1.00 1.57 C ATOM 0 H VAL A 41 68.847 38.460 -36.361 1.00 0.56 H new ATOM 0 HA VAL A 41 71.105 39.147 -38.242 1.00 0.63 H new ATOM 0 HB VAL A 41 71.798 37.128 -37.025 1.00 0.76 H new ATOM 0 HG11 VAL A 41 70.242 35.211 -36.765 1.00 1.54 H new ATOM 0 HG12 VAL A 41 69.589 36.670 -35.983 1.00 1.54 H new ATOM 0 HG13 VAL A 41 68.956 36.147 -37.562 1.00 1.54 H new ATOM 0 HG21 VAL A 41 71.671 35.423 -38.816 1.00 1.57 H new ATOM 0 HG22 VAL A 41 70.377 36.350 -39.611 1.00 1.57 H new ATOM 0 HG23 VAL A 41 72.016 37.033 -39.491 1.00 1.57 H new ATOM 670 N CYS A 42 68.951 39.514 -39.577 1.00 0.72 N ATOM 671 CA CYS A 42 67.855 39.546 -40.589 1.00 0.76 C ATOM 672 C CYS A 42 68.110 38.536 -41.707 1.00 0.76 C ATOM 673 O CYS A 42 69.189 38.496 -42.263 1.00 0.90 O ATOM 674 CB CYS A 42 67.903 40.960 -41.157 1.00 1.00 C ATOM 675 SG CYS A 42 66.250 41.473 -41.678 1.00 1.13 S ATOM 0 H CYS A 42 69.450 40.395 -39.453 1.00 0.72 H new ATOM 0 HA CYS A 42 66.891 39.293 -40.149 1.00 0.76 H new ATOM 0 HB2 CYS A 42 68.287 41.650 -40.405 1.00 1.00 H new ATOM 0 HB3 CYS A 42 68.588 40.998 -42.004 1.00 1.00 H new ATOM 680 N PRO A 43 67.096 37.761 -42.012 1.00 0.70 N ATOM 681 CA PRO A 43 67.208 36.754 -43.085 1.00 0.80 C ATOM 682 C PRO A 43 67.479 37.436 -44.427 1.00 0.89 C ATOM 683 O PRO A 43 67.903 38.574 -44.483 1.00 0.97 O ATOM 684 CB PRO A 43 65.823 36.100 -43.072 1.00 0.80 C ATOM 685 CG PRO A 43 64.969 36.753 -41.973 1.00 0.72 C ATOM 686 CD PRO A 43 65.795 37.851 -41.303 1.00 0.65 C ATOM 0 HA PRO A 43 68.022 36.043 -42.941 1.00 0.80 H new ATOM 0 HB2 PRO A 43 65.342 36.219 -44.043 1.00 0.80 H new ATOM 0 HB3 PRO A 43 65.914 35.029 -42.891 1.00 0.80 H new ATOM 0 HG2 PRO A 43 64.058 37.172 -42.400 1.00 0.72 H new ATOM 0 HG3 PRO A 43 64.663 36.008 -41.239 1.00 0.72 H new ATOM 0 HD2 PRO A 43 65.336 38.832 -41.422 1.00 0.65 H new ATOM 0 HD3 PRO A 43 65.905 37.679 -40.232 1.00 0.65 H new ATOM 694 N LYS A 44 67.235 36.749 -45.504 1.00 1.04 N ATOM 695 CA LYS A 44 67.477 37.353 -46.845 1.00 1.19 C ATOM 696 C LYS A 44 66.154 37.795 -47.483 1.00 1.07 C ATOM 697 O LYS A 44 65.118 37.196 -47.267 1.00 1.52 O ATOM 698 CB LYS A 44 68.129 36.240 -47.666 1.00 1.53 C ATOM 699 CG LYS A 44 67.149 35.079 -47.833 1.00 2.08 C ATOM 700 CD LYS A 44 67.909 33.755 -47.721 1.00 2.77 C ATOM 701 CE LYS A 44 67.508 33.047 -46.423 1.00 3.61 C ATOM 702 NZ LYS A 44 68.666 32.174 -46.075 1.00 4.19 N ATOM 0 H LYS A 44 66.878 35.794 -45.516 1.00 1.04 H new ATOM 0 HA LYS A 44 68.106 38.241 -46.789 1.00 1.19 H new ATOM 0 HB2 LYS A 44 68.425 36.622 -48.643 1.00 1.53 H new ATOM 0 HB3 LYS A 44 69.036 35.894 -47.171 1.00 1.53 H new ATOM 0 HG2 LYS A 44 66.372 35.131 -47.070 1.00 2.08 H new ATOM 0 HG3 LYS A 44 66.651 35.145 -48.800 1.00 2.08 H new ATOM 0 HD2 LYS A 44 67.685 33.121 -48.579 1.00 2.77 H new ATOM 0 HD3 LYS A 44 68.984 33.938 -47.732 1.00 2.77 H new ATOM 0 HE2 LYS A 44 67.306 33.766 -45.629 1.00 3.61 H new ATOM 0 HE3 LYS A 44 66.600 32.460 -46.560 1.00 3.61 H new ATOM 0 HZ1 LYS A 44 68.460 31.659 -45.195 1.00 4.19 H new ATOM 0 HZ2 LYS A 44 68.832 31.494 -46.844 1.00 4.19 H new ATOM 0 HZ3 LYS A 44 69.515 32.760 -45.942 1.00 4.19 H new ATOM 716 N SER A 45 66.186 38.839 -48.270 1.00 1.01 N ATOM 717 CA SER A 45 64.934 39.319 -48.928 1.00 0.93 C ATOM 718 C SER A 45 64.702 38.546 -50.229 1.00 0.94 C ATOM 719 O SER A 45 65.636 38.142 -50.893 1.00 1.20 O ATOM 720 CB SER A 45 65.178 40.801 -49.221 1.00 1.04 C ATOM 721 OG SER A 45 65.239 41.519 -47.995 1.00 1.64 O ATOM 0 H SER A 45 67.024 39.379 -48.485 1.00 1.01 H new ATOM 0 HA SER A 45 64.053 39.171 -48.303 1.00 0.93 H new ATOM 0 HB2 SER A 45 66.108 40.926 -49.775 1.00 1.04 H new ATOM 0 HB3 SER A 45 64.378 41.196 -49.848 1.00 1.04 H new ATOM 0 HG SER A 45 65.397 42.468 -48.179 1.00 1.64 H new ATOM 727 N SER A 46 63.469 38.331 -50.599 1.00 0.84 N ATOM 728 CA SER A 46 63.187 37.578 -51.856 1.00 1.02 C ATOM 729 C SER A 46 62.230 38.371 -52.753 1.00 1.10 C ATOM 730 O SER A 46 61.824 39.468 -52.429 1.00 1.66 O ATOM 731 CB SER A 46 62.528 36.282 -51.393 1.00 1.08 C ATOM 732 OG SER A 46 61.575 35.870 -52.364 1.00 1.49 O ATOM 0 H SER A 46 62.645 38.644 -50.086 1.00 0.84 H new ATOM 0 HA SER A 46 64.090 37.398 -52.440 1.00 1.02 H new ATOM 0 HB2 SER A 46 63.281 35.507 -51.253 1.00 1.08 H new ATOM 0 HB3 SER A 46 62.042 36.431 -50.429 1.00 1.08 H new ATOM 0 HG SER A 46 61.150 35.037 -52.072 1.00 1.49 H new ATOM 738 N LEU A 47 61.865 37.818 -53.879 1.00 1.13 N ATOM 739 CA LEU A 47 60.933 38.534 -54.797 1.00 1.25 C ATOM 740 C LEU A 47 59.496 38.438 -54.270 1.00 0.98 C ATOM 741 O LEU A 47 58.565 38.927 -54.880 1.00 1.23 O ATOM 742 CB LEU A 47 61.060 37.800 -56.136 1.00 1.60 C ATOM 743 CG LEU A 47 61.718 38.704 -57.186 1.00 2.09 C ATOM 744 CD1 LEU A 47 61.095 40.098 -57.139 1.00 2.75 C ATOM 745 CD2 LEU A 47 63.222 38.808 -56.910 1.00 2.50 C ATOM 0 H LEU A 47 62.172 36.901 -54.203 1.00 1.13 H new ATOM 0 HA LEU A 47 61.171 39.594 -54.886 1.00 1.25 H new ATOM 0 HB2 LEU A 47 61.652 36.894 -56.006 1.00 1.60 H new ATOM 0 HB3 LEU A 47 60.074 37.490 -56.482 1.00 1.60 H new ATOM 0 HG LEU A 47 61.559 38.272 -58.174 1.00 2.09 H new ATOM 0 HD11 LEU A 47 61.568 40.733 -57.888 1.00 2.75 H new ATOM 0 HD12 LEU A 47 60.027 40.026 -57.346 1.00 2.75 H new ATOM 0 HD13 LEU A 47 61.245 40.530 -56.150 1.00 2.75 H new ATOM 0 HD21 LEU A 47 63.686 39.451 -57.658 1.00 2.50 H new ATOM 0 HD22 LEU A 47 63.382 39.232 -55.918 1.00 2.50 H new ATOM 0 HD23 LEU A 47 63.670 37.815 -56.957 1.00 2.50 H new ATOM 757 N LEU A 48 59.306 37.805 -53.142 1.00 0.79 N ATOM 758 CA LEU A 48 57.928 37.675 -52.582 1.00 0.85 C ATOM 759 C LEU A 48 57.852 38.316 -51.193 1.00 0.71 C ATOM 760 O LEU A 48 57.242 39.352 -51.009 1.00 0.92 O ATOM 761 CB LEU A 48 57.673 36.168 -52.495 1.00 1.16 C ATOM 762 CG LEU A 48 57.207 35.656 -53.858 1.00 1.67 C ATOM 763 CD1 LEU A 48 57.822 34.281 -54.133 1.00 2.36 C ATOM 764 CD2 LEU A 48 55.680 35.547 -53.860 1.00 2.47 C ATOM 0 H LEU A 48 60.044 37.373 -52.585 1.00 0.79 H new ATOM 0 HA LEU A 48 57.185 38.178 -53.201 1.00 0.85 H new ATOM 0 HB2 LEU A 48 58.583 35.650 -52.191 1.00 1.16 H new ATOM 0 HB3 LEU A 48 56.918 35.958 -51.737 1.00 1.16 H new ATOM 0 HG LEU A 48 57.525 36.350 -54.636 1.00 1.67 H new ATOM 0 HD11 LEU A 48 57.487 33.920 -55.105 1.00 2.36 H new ATOM 0 HD12 LEU A 48 58.909 34.362 -54.131 1.00 2.36 H new ATOM 0 HD13 LEU A 48 57.509 33.581 -53.359 1.00 2.36 H new ATOM 0 HD21 LEU A 48 55.343 35.182 -54.830 1.00 2.47 H new ATOM 0 HD22 LEU A 48 55.364 34.853 -53.081 1.00 2.47 H new ATOM 0 HD23 LEU A 48 55.245 36.528 -53.670 1.00 2.47 H new ATOM 776 N VAL A 49 58.458 37.707 -50.211 1.00 0.54 N ATOM 777 CA VAL A 49 58.410 38.283 -48.835 1.00 0.49 C ATOM 778 C VAL A 49 59.657 39.132 -48.555 1.00 0.42 C ATOM 779 O VAL A 49 60.722 38.888 -49.089 1.00 0.58 O ATOM 780 CB VAL A 49 58.340 37.071 -47.899 1.00 0.65 C ATOM 781 CG1 VAL A 49 59.704 36.377 -47.805 1.00 0.99 C ATOM 782 CG2 VAL A 49 57.921 37.534 -46.504 1.00 1.13 C ATOM 0 H VAL A 49 58.983 36.837 -50.300 1.00 0.54 H new ATOM 0 HA VAL A 49 57.557 38.948 -48.697 1.00 0.49 H new ATOM 0 HB VAL A 49 57.612 36.365 -48.299 1.00 0.65 H new ATOM 0 HG11 VAL A 49 59.631 35.520 -47.136 1.00 0.99 H new ATOM 0 HG12 VAL A 49 60.009 36.039 -48.795 1.00 0.99 H new ATOM 0 HG13 VAL A 49 60.443 37.078 -47.417 1.00 0.99 H new ATOM 0 HG21 VAL A 49 57.870 36.675 -45.835 1.00 1.13 H new ATOM 0 HG22 VAL A 49 58.651 38.248 -46.123 1.00 1.13 H new ATOM 0 HG23 VAL A 49 56.942 38.010 -46.558 1.00 1.13 H new ATOM 792 N LYS A 50 59.530 40.133 -47.722 1.00 0.40 N ATOM 793 CA LYS A 50 60.704 41.002 -47.408 1.00 0.42 C ATOM 794 C LYS A 50 60.773 41.282 -45.898 1.00 0.44 C ATOM 795 O LYS A 50 59.764 41.371 -45.232 1.00 0.55 O ATOM 796 CB LYS A 50 60.449 42.297 -48.184 1.00 0.57 C ATOM 797 CG LYS A 50 61.616 43.267 -47.976 1.00 1.02 C ATOM 798 CD LYS A 50 62.383 43.449 -49.291 1.00 1.41 C ATOM 799 CE LYS A 50 62.294 44.912 -49.737 1.00 1.74 C ATOM 800 NZ LYS A 50 63.681 45.286 -50.142 1.00 2.40 N ATOM 0 H LYS A 50 58.664 40.386 -47.246 1.00 0.40 H new ATOM 0 HA LYS A 50 61.650 40.537 -47.685 1.00 0.42 H new ATOM 0 HB2 LYS A 50 60.331 42.078 -49.245 1.00 0.57 H new ATOM 0 HB3 LYS A 50 59.519 42.756 -47.848 1.00 0.57 H new ATOM 0 HG2 LYS A 50 61.243 44.229 -47.626 1.00 1.02 H new ATOM 0 HG3 LYS A 50 62.285 42.885 -47.205 1.00 1.02 H new ATOM 0 HD2 LYS A 50 63.426 43.161 -49.159 1.00 1.41 H new ATOM 0 HD3 LYS A 50 61.967 42.798 -50.060 1.00 1.41 H new ATOM 0 HE2 LYS A 50 61.597 45.028 -50.567 1.00 1.74 H new ATOM 0 HE3 LYS A 50 61.935 45.549 -48.928 1.00 1.74 H new ATOM 0 HZ1 LYS A 50 63.695 46.276 -50.459 1.00 2.40 H new ATOM 0 HZ2 LYS A 50 64.322 45.173 -49.331 1.00 2.40 H new ATOM 0 HZ3 LYS A 50 63.994 44.669 -50.919 1.00 2.40 H new ATOM 814 N TYR A 51 61.959 41.425 -45.359 1.00 0.44 N ATOM 815 CA TYR A 51 62.092 41.703 -43.898 1.00 0.52 C ATOM 816 C TYR A 51 62.844 43.022 -43.683 1.00 0.45 C ATOM 817 O TYR A 51 63.908 43.232 -44.230 1.00 0.59 O ATOM 818 CB TYR A 51 62.928 40.557 -43.305 1.00 0.73 C ATOM 819 CG TYR A 51 62.364 39.195 -43.657 1.00 0.50 C ATOM 820 CD1 TYR A 51 62.218 38.786 -44.994 1.00 0.69 C ATOM 821 CD2 TYR A 51 62.014 38.322 -42.623 1.00 0.82 C ATOM 822 CE1 TYR A 51 61.716 37.508 -45.284 1.00 0.76 C ATOM 823 CE2 TYR A 51 61.517 37.048 -42.915 1.00 1.19 C ATOM 824 CZ TYR A 51 61.367 36.640 -44.243 1.00 1.05 C ATOM 825 OH TYR A 51 60.879 35.379 -44.527 1.00 1.47 O ATOM 0 H TYR A 51 62.840 41.361 -45.869 1.00 0.44 H new ATOM 0 HA TYR A 51 61.111 41.777 -43.428 1.00 0.52 H new ATOM 0 HB2 TYR A 51 63.952 40.630 -43.671 1.00 0.73 H new ATOM 0 HB3 TYR A 51 62.968 40.662 -42.221 1.00 0.73 H new ATOM 0 HD1 TYR A 51 62.492 39.454 -45.797 1.00 0.69 H new ATOM 0 HD2 TYR A 51 62.128 38.633 -41.595 1.00 0.82 H new ATOM 0 HE1 TYR A 51 61.599 37.194 -46.311 1.00 0.76 H new ATOM 0 HE2 TYR A 51 61.248 36.378 -42.112 1.00 1.19 H new ATOM 0 HH TYR A 51 60.687 34.906 -43.690 1.00 1.47 H new ATOM 835 N VAL A 52 62.321 43.899 -42.871 1.00 0.44 N ATOM 836 CA VAL A 52 63.037 45.181 -42.603 1.00 0.49 C ATOM 837 C VAL A 52 63.882 45.007 -41.344 1.00 0.43 C ATOM 838 O VAL A 52 63.468 44.345 -40.427 1.00 0.56 O ATOM 839 CB VAL A 52 61.940 46.213 -42.354 1.00 0.69 C ATOM 840 CG1 VAL A 52 62.574 47.580 -42.113 1.00 1.02 C ATOM 841 CG2 VAL A 52 61.013 46.291 -43.569 1.00 0.82 C ATOM 0 H VAL A 52 61.433 43.786 -42.383 1.00 0.44 H new ATOM 0 HA VAL A 52 63.690 45.482 -43.422 1.00 0.49 H new ATOM 0 HB VAL A 52 61.362 45.917 -41.479 1.00 0.69 H new ATOM 0 HG11 VAL A 52 61.792 48.318 -41.935 1.00 1.02 H new ATOM 0 HG12 VAL A 52 63.229 47.529 -41.243 1.00 1.02 H new ATOM 0 HG13 VAL A 52 63.155 47.871 -42.988 1.00 1.02 H new ATOM 0 HG21 VAL A 52 60.233 47.029 -43.384 1.00 0.82 H new ATOM 0 HG22 VAL A 52 61.588 46.583 -44.447 1.00 0.82 H new ATOM 0 HG23 VAL A 52 60.557 45.316 -43.742 1.00 0.82 H new ATOM 851 N CYS A 53 65.057 45.571 -41.274 1.00 0.44 N ATOM 852 CA CYS A 53 65.865 45.379 -40.035 1.00 0.47 C ATOM 853 C CYS A 53 66.772 46.572 -39.754 1.00 0.46 C ATOM 854 O CYS A 53 67.678 46.872 -40.506 1.00 0.68 O ATOM 855 CB CYS A 53 66.698 44.127 -40.288 1.00 0.73 C ATOM 856 SG CYS A 53 65.623 42.675 -40.184 1.00 1.39 S ATOM 0 H CYS A 53 65.485 46.143 -42.002 1.00 0.44 H new ATOM 0 HA CYS A 53 65.220 45.282 -39.161 1.00 0.47 H new ATOM 0 HB2 CYS A 53 67.167 44.179 -41.271 1.00 0.73 H new ATOM 0 HB3 CYS A 53 67.501 44.054 -39.555 1.00 0.73 H new ATOM 861 N CYS A 54 66.551 47.234 -38.652 1.00 0.39 N ATOM 862 CA CYS A 54 67.428 48.400 -38.290 1.00 0.51 C ATOM 863 C CYS A 54 68.062 48.138 -36.922 1.00 0.48 C ATOM 864 O CYS A 54 67.431 47.580 -36.066 1.00 0.46 O ATOM 865 CB CYS A 54 66.523 49.643 -38.254 1.00 0.68 C ATOM 866 SG CYS A 54 64.885 49.233 -37.590 1.00 1.08 S ATOM 0 H CYS A 54 65.808 47.025 -37.986 1.00 0.39 H new ATOM 0 HA CYS A 54 68.234 48.547 -39.009 1.00 0.51 H new ATOM 0 HB2 CYS A 54 66.985 50.416 -37.641 1.00 0.68 H new ATOM 0 HB3 CYS A 54 66.420 50.052 -39.259 1.00 0.68 H new ATOM 871 N ASN A 55 69.304 48.525 -36.725 1.00 0.52 N ATOM 872 CA ASN A 55 70.003 48.265 -35.418 1.00 0.55 C ATOM 873 C ASN A 55 69.776 49.436 -34.449 1.00 0.54 C ATOM 874 O ASN A 55 70.664 50.180 -34.097 1.00 0.61 O ATOM 875 CB ASN A 55 71.483 48.110 -35.847 1.00 0.67 C ATOM 876 CG ASN A 55 72.454 48.711 -34.825 1.00 1.48 C ATOM 877 OD1 ASN A 55 72.772 49.882 -34.885 1.00 2.23 O ATOM 878 ND2 ASN A 55 72.963 47.947 -33.902 1.00 2.32 N ATOM 0 H ASN A 55 69.869 49.014 -37.419 1.00 0.52 H new ATOM 0 HA ASN A 55 69.643 47.389 -34.878 1.00 0.55 H new ATOM 0 HB2 ASN A 55 71.710 47.053 -35.982 1.00 0.67 H new ATOM 0 HB3 ASN A 55 71.631 48.594 -36.813 1.00 0.67 H new ATOM 0 HD21 ASN A 55 73.628 48.332 -33.231 1.00 2.32 H new ATOM 0 HD22 ASN A 55 72.697 46.964 -33.850 1.00 2.32 H new ATOM 885 N THR A 56 68.564 49.607 -34.023 1.00 0.49 N ATOM 886 CA THR A 56 68.268 50.721 -33.074 1.00 0.50 C ATOM 887 C THR A 56 67.100 50.375 -32.144 1.00 0.48 C ATOM 888 O THR A 56 66.348 49.453 -32.392 1.00 0.57 O ATOM 889 CB THR A 56 67.962 51.937 -33.950 1.00 0.54 C ATOM 890 OG1 THR A 56 67.066 51.574 -34.991 1.00 1.15 O ATOM 891 CG2 THR A 56 69.269 52.454 -34.554 1.00 1.16 C ATOM 0 H THR A 56 67.764 49.031 -34.285 1.00 0.49 H new ATOM 0 HA THR A 56 69.111 50.916 -32.411 1.00 0.50 H new ATOM 0 HB THR A 56 67.499 52.716 -33.344 1.00 0.54 H new ATOM 0 HG1 THR A 56 66.777 50.646 -34.865 1.00 1.15 H new ATOM 0 HG21 THR A 56 69.062 53.321 -35.181 1.00 1.16 H new ATOM 0 HG22 THR A 56 69.952 52.739 -33.754 1.00 1.16 H new ATOM 0 HG23 THR A 56 69.726 51.670 -35.158 1.00 1.16 H new ATOM 899 N ASP A 57 66.922 51.128 -31.092 1.00 0.58 N ATOM 900 CA ASP A 57 65.780 50.861 -30.171 1.00 0.60 C ATOM 901 C ASP A 57 64.512 51.479 -30.766 1.00 0.59 C ATOM 902 O ASP A 57 64.481 52.650 -31.092 1.00 0.72 O ATOM 903 CB ASP A 57 66.160 51.549 -28.859 1.00 0.71 C ATOM 904 CG ASP A 57 64.920 51.703 -27.977 1.00 0.95 C ATOM 905 OD1 ASP A 57 64.471 50.703 -27.441 1.00 1.70 O ATOM 906 OD2 ASP A 57 64.444 52.819 -27.852 1.00 1.47 O ATOM 0 H ASP A 57 67.517 51.915 -30.831 1.00 0.58 H new ATOM 0 HA ASP A 57 65.589 49.799 -30.018 1.00 0.60 H new ATOM 0 HB2 ASP A 57 66.918 50.965 -28.338 1.00 0.71 H new ATOM 0 HB3 ASP A 57 66.596 52.527 -29.063 1.00 0.71 H new ATOM 911 N ARG A 58 63.469 50.711 -30.929 1.00 0.56 N ATOM 912 CA ARG A 58 62.226 51.283 -31.524 1.00 0.61 C ATOM 913 C ARG A 58 62.537 51.828 -32.925 1.00 0.60 C ATOM 914 O ARG A 58 62.615 53.026 -33.120 1.00 0.87 O ATOM 915 CB ARG A 58 61.839 52.432 -30.594 1.00 0.73 C ATOM 916 CG ARG A 58 60.328 52.644 -30.657 1.00 0.93 C ATOM 917 CD ARG A 58 59.752 52.587 -29.241 1.00 1.16 C ATOM 918 NE ARG A 58 58.300 52.889 -29.396 1.00 1.10 N ATOM 919 CZ ARG A 58 57.626 53.405 -28.403 1.00 1.34 C ATOM 920 NH1 ARG A 58 58.122 53.385 -27.193 1.00 1.91 N ATOM 921 NH2 ARG A 58 56.457 53.944 -28.624 1.00 1.52 N ATOM 0 H ARG A 58 63.422 49.723 -30.679 1.00 0.56 H new ATOM 0 HA ARG A 58 61.429 50.546 -31.621 1.00 0.61 H new ATOM 0 HB2 ARG A 58 62.144 52.207 -29.572 1.00 0.73 H new ATOM 0 HB3 ARG A 58 62.359 53.344 -30.888 1.00 0.73 H new ATOM 0 HG2 ARG A 58 60.103 53.607 -31.115 1.00 0.93 H new ATOM 0 HG3 ARG A 58 59.867 51.878 -31.281 1.00 0.93 H new ATOM 0 HD2 ARG A 58 59.904 51.605 -28.793 1.00 1.16 H new ATOM 0 HD3 ARG A 58 60.238 53.313 -28.589 1.00 1.16 H new ATOM 0 HE ARG A 58 57.831 52.692 -30.280 1.00 1.10 H new ATOM 0 HH11 ARG A 58 59.036 52.966 -27.024 1.00 1.91 H new ATOM 0 HH12 ARG A 58 57.594 53.788 -26.419 1.00 1.91 H new ATOM 0 HH21 ARG A 58 56.074 53.961 -29.569 1.00 1.52 H new ATOM 0 HH22 ARG A 58 55.927 54.348 -27.852 1.00 1.52 H new ATOM 935 N CYS A 59 62.740 50.978 -33.902 1.00 0.44 N ATOM 936 CA CYS A 59 63.071 51.505 -35.263 1.00 0.47 C ATOM 937 C CYS A 59 62.327 50.750 -36.373 1.00 0.60 C ATOM 938 O CYS A 59 62.645 50.888 -37.538 1.00 1.14 O ATOM 939 CB CYS A 59 64.590 51.338 -35.396 1.00 0.42 C ATOM 940 SG CYS A 59 65.029 49.593 -35.606 1.00 0.84 S ATOM 0 H CYS A 59 62.692 49.962 -33.820 1.00 0.44 H new ATOM 0 HA CYS A 59 62.761 52.544 -35.372 1.00 0.47 H new ATOM 0 HB2 CYS A 59 64.950 51.914 -36.249 1.00 0.42 H new ATOM 0 HB3 CYS A 59 65.083 51.738 -34.510 1.00 0.42 H new ATOM 945 N ASN A 60 61.325 49.982 -36.042 1.00 0.52 N ATOM 946 CA ASN A 60 60.567 49.269 -37.114 1.00 0.55 C ATOM 947 C ASN A 60 59.088 49.659 -37.067 1.00 0.71 C ATOM 948 O ASN A 60 58.594 50.151 -38.067 1.00 1.39 O ATOM 949 CB ASN A 60 60.724 47.775 -36.837 1.00 0.41 C ATOM 950 CG ASN A 60 60.083 47.418 -35.493 1.00 0.36 C ATOM 951 OD1 ASN A 60 59.989 48.248 -34.605 1.00 0.43 O ATOM 952 ND2 ASN A 60 59.641 46.199 -35.306 1.00 0.40 N ATOM 953 OXT ASN A 60 58.477 49.456 -36.031 1.00 1.25 O ATOM 0 H ASN A 60 61.000 49.817 -35.089 1.00 0.52 H new ATOM 0 HA ASN A 60 60.946 49.530 -38.102 1.00 0.55 H new ATOM 0 HB2 ASN A 60 60.257 47.198 -37.636 1.00 0.41 H new ATOM 0 HB3 ASN A 60 61.781 47.508 -36.827 1.00 0.41 H new ATOM 0 HD21 ASN A 60 59.216 45.942 -34.415 1.00 0.40 H new ATOM 0 HD22 ASN A 60 59.721 45.507 -36.051 1.00 0.40 H new TER 960 ASN A 60