USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 489 hydrogens (2 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 24 MET CE :methyl 167:sc= 0 (180deg=-0.219) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 LEU N :NH3+ -154:sc= -0.0649 (180deg=-0.546) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -2.05 K(o=-2.1,f=-9!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 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 19 ASN : amide:sc= -1.85 K(o=-1.9,f=-4.1!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 146:sc= -0.344 (180deg=-1.75!) USER MOD Single : A 27 MET CE :methyl -145:sc= -0.0782 (180deg=-0.508) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0632 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0468) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -1.25 K(o=-1.2,f=-8.5!) USER MOD Single : A 46 SER OG : rot -18:sc= 0.485 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -2.06 K(o=-2.1,f=-0.35) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.858 USER MOD Single : A 60 ASN : amide:sc= -13.1! C(o=-13!,f=-20!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 6.354 11.977 -1.461 1.00 0.00 N ATOM 2 CA LEU A 1 5.920 10.837 -0.671 1.00 0.00 C ATOM 3 C LEU A 1 6.518 9.558 -1.259 1.00 0.00 C ATOM 4 O LEU A 1 6.167 9.157 -2.368 1.00 0.00 O ATOM 5 CB LEU A 1 4.395 10.810 -0.562 1.00 0.00 C ATOM 6 CG LEU A 1 3.752 11.998 0.156 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.355 12.284 -0.398 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.733 11.779 1.670 1.00 0.00 C ATOM 0 H1 LEU A 1 6.345 12.833 -0.870 1.00 0.00 H new ATOM 0 H2 LEU A 1 7.318 11.809 -1.812 1.00 0.00 H new ATOM 0 H3 LEU A 1 5.710 12.106 -2.267 1.00 0.00 H new ATOM 0 HA LEU A 1 6.287 10.920 0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.980 10.751 -1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.104 9.897 -0.043 1.00 0.00 H new ATOM 0 HG LEU A 1 4.361 12.882 -0.035 1.00 0.00 H new ATOM 0 HD11 LEU A 1 1.921 13.133 0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.425 12.515 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.722 11.408 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.271 12.638 2.156 1.00 0.00 H new ATOM 0 HD22 LEU A 1 3.161 10.880 1.900 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.754 11.662 2.034 1.00 0.00 H new ATOM 20 N LYS A 2 7.410 8.951 -0.489 1.00 0.00 N ATOM 21 CA LYS A 2 8.059 7.724 -0.920 1.00 0.00 C ATOM 22 C LYS A 2 7.812 6.629 0.120 1.00 0.00 C ATOM 23 O LYS A 2 7.763 6.905 1.317 1.00 0.00 O ATOM 24 CB LYS A 2 9.540 7.975 -1.209 1.00 0.00 C ATOM 25 CG LYS A 2 9.725 8.683 -2.553 1.00 0.00 C ATOM 26 CD LYS A 2 10.542 9.967 -2.389 1.00 0.00 C ATOM 27 CE LYS A 2 12.042 9.671 -2.434 1.00 0.00 C ATOM 28 NZ LYS A 2 12.680 10.033 -1.148 1.00 0.00 N ATOM 0 H LYS A 2 7.698 9.286 0.430 1.00 0.00 H new ATOM 0 HA LYS A 2 7.629 7.375 -1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.972 8.581 -0.412 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.078 7.027 -1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.227 8.016 -3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.751 8.920 -2.980 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.283 10.671 -3.180 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.290 10.444 -1.442 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.204 8.613 -2.642 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.505 10.231 -3.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.698 9.826 -1.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.541 11.047 -0.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.250 9.480 -0.379 1.00 0.00 H new ATOM 42 N CYS A 3 7.663 5.410 -0.377 1.00 0.00 N ATOM 43 CA CYS A 3 7.422 4.272 0.495 1.00 0.00 C ATOM 44 C CYS A 3 8.315 3.118 0.034 1.00 0.00 C ATOM 45 O CYS A 3 8.959 3.204 -1.009 1.00 0.00 O ATOM 46 CB CYS A 3 5.944 3.877 0.515 1.00 0.00 C ATOM 47 SG CYS A 3 4.919 4.805 1.715 1.00 0.00 S ATOM 0 H CYS A 3 7.704 5.185 -1.371 1.00 0.00 H new ATOM 0 HA CYS A 3 7.673 4.537 1.522 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.530 4.021 -0.483 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.869 2.813 0.741 1.00 0.00 H new ATOM 52 N ASN A 4 8.323 2.062 0.836 1.00 0.00 N ATOM 53 CA ASN A 4 9.126 0.892 0.524 1.00 0.00 C ATOM 54 C ASN A 4 8.400 0.046 -0.524 1.00 0.00 C ATOM 55 O ASN A 4 7.244 0.311 -0.849 1.00 0.00 O ATOM 56 CB ASN A 4 9.340 0.024 1.766 1.00 0.00 C ATOM 57 CG ASN A 4 9.465 0.887 3.023 1.00 0.00 C ATOM 58 OD1 ASN A 4 10.256 1.813 3.096 1.00 0.00 O ATOM 59 ND2 ASN A 4 8.640 0.534 4.004 1.00 0.00 N ATOM 0 H ASN A 4 7.786 1.993 1.701 1.00 0.00 H new ATOM 0 HA ASN A 4 10.092 1.235 0.152 1.00 0.00 H new ATOM 0 HB2 ASN A 4 8.506 -0.669 1.878 1.00 0.00 H new ATOM 0 HB3 ASN A 4 10.240 -0.578 1.643 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.644 1.049 4.884 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.003 -0.252 3.876 1.00 0.00 H new ATOM 66 N LYS A 5 9.109 -0.955 -1.024 1.00 0.00 N ATOM 67 CA LYS A 5 8.547 -1.843 -2.029 1.00 0.00 C ATOM 68 C LYS A 5 7.972 -3.083 -1.343 1.00 0.00 C ATOM 69 O LYS A 5 7.753 -3.083 -0.133 1.00 0.00 O ATOM 70 CB LYS A 5 9.587 -2.161 -3.104 1.00 0.00 C ATOM 71 CG LYS A 5 9.994 -0.897 -3.864 1.00 0.00 C ATOM 72 CD LYS A 5 8.794 -0.278 -4.583 1.00 0.00 C ATOM 73 CE LYS A 5 8.033 -1.335 -5.388 1.00 0.00 C ATOM 74 NZ LYS A 5 7.536 -0.760 -6.657 1.00 0.00 N ATOM 0 H LYS A 5 10.068 -1.171 -0.752 1.00 0.00 H new ATOM 0 HA LYS A 5 7.723 -1.356 -2.550 1.00 0.00 H new ATOM 0 HB2 LYS A 5 10.466 -2.611 -2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.182 -2.894 -3.801 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.420 -0.172 -3.170 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.771 -1.139 -4.589 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.126 0.181 -3.854 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.134 0.516 -5.248 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.687 -2.182 -5.597 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.196 -1.715 -4.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.022 -1.490 -7.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 6.896 0.034 -6.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.340 -0.419 -7.222 1.00 0.00 H new ATOM 88 N LEU A 6 7.742 -4.111 -2.147 1.00 0.00 N ATOM 89 CA LEU A 6 7.196 -5.356 -1.632 1.00 0.00 C ATOM 90 C LEU A 6 7.892 -5.706 -0.316 1.00 0.00 C ATOM 91 O LEU A 6 7.266 -6.245 0.597 1.00 0.00 O ATOM 92 CB LEU A 6 7.289 -6.458 -2.689 1.00 0.00 C ATOM 93 CG LEU A 6 6.124 -7.449 -2.728 1.00 0.00 C ATOM 94 CD1 LEU A 6 4.927 -6.861 -3.476 1.00 0.00 C ATOM 95 CD2 LEU A 6 6.565 -8.791 -3.317 1.00 0.00 C ATOM 0 H LEU A 6 7.924 -4.108 -3.151 1.00 0.00 H new ATOM 0 HA LEU A 6 6.134 -5.245 -1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.373 -5.988 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.210 -7.017 -2.523 1.00 0.00 H new ATOM 0 HG LEU A 6 5.802 -7.637 -1.704 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.114 -7.586 -3.488 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.595 -5.952 -2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.218 -6.625 -4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.718 -9.477 -3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.929 -8.640 -4.333 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.362 -9.213 -2.705 1.00 0.00 H new ATOM 107 N VAL A 7 9.176 -5.388 -0.258 1.00 0.00 N ATOM 108 CA VAL A 7 9.963 -5.663 0.933 1.00 0.00 C ATOM 109 C VAL A 7 10.803 -4.432 1.279 1.00 0.00 C ATOM 110 O VAL A 7 11.259 -3.717 0.388 1.00 0.00 O ATOM 111 CB VAL A 7 10.806 -6.922 0.723 1.00 0.00 C ATOM 112 CG1 VAL A 7 11.161 -7.573 2.062 1.00 0.00 C ATOM 113 CG2 VAL A 7 10.089 -7.915 -0.195 1.00 0.00 C ATOM 0 H VAL A 7 9.692 -4.942 -1.016 1.00 0.00 H new ATOM 0 HA VAL A 7 9.312 -5.862 1.784 1.00 0.00 H new ATOM 0 HB VAL A 7 11.735 -6.626 0.236 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.760 -8.466 1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.730 -6.869 2.669 1.00 0.00 H new ATOM 0 HG13 VAL A 7 10.246 -7.848 2.587 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.710 -8.801 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.137 -8.202 0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.909 -7.450 -1.164 1.00 0.00 H new ATOM 123 N PRO A 8 10.984 -4.224 2.574 1.00 0.00 N ATOM 124 CA PRO A 8 11.786 -3.057 3.064 1.00 0.00 C ATOM 125 C PRO A 8 13.301 -2.927 2.681 1.00 0.00 C ATOM 126 O PRO A 8 14.010 -2.080 3.220 1.00 0.00 O ATOM 127 CB PRO A 8 11.564 -3.121 4.592 1.00 0.00 C ATOM 128 CG PRO A 8 10.358 -4.039 4.802 1.00 0.00 C ATOM 129 CD PRO A 8 10.464 -5.066 3.676 1.00 0.00 C ATOM 0 HA PRO A 8 11.436 -2.159 2.555 1.00 0.00 H new ATOM 0 HB2 PRO A 8 12.446 -3.513 5.099 1.00 0.00 H new ATOM 0 HB3 PRO A 8 11.375 -2.129 5.001 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.388 -4.518 5.781 1.00 0.00 H new ATOM 0 HG3 PRO A 8 9.421 -3.484 4.747 1.00 0.00 H new ATOM 0 HD2 PRO A 8 11.141 -5.883 3.925 1.00 0.00 H new ATOM 0 HD3 PRO A 8 9.500 -5.513 3.434 1.00 0.00 H new ATOM 137 N ILE A 9 13.720 -3.783 1.760 1.00 0.00 N ATOM 138 CA ILE A 9 15.101 -3.777 1.308 1.00 0.00 C ATOM 139 C ILE A 9 15.221 -2.901 0.059 1.00 0.00 C ATOM 140 O ILE A 9 16.323 -2.661 -0.432 1.00 0.00 O ATOM 141 CB ILE A 9 15.605 -5.207 1.105 1.00 0.00 C ATOM 142 CG1 ILE A 9 17.004 -5.214 0.488 1.00 0.00 C ATOM 143 CG2 ILE A 9 14.610 -6.027 0.281 1.00 0.00 C ATOM 144 CD1 ILE A 9 17.880 -6.295 1.124 1.00 0.00 C ATOM 0 H ILE A 9 13.128 -4.484 1.315 1.00 0.00 H new ATOM 0 HA ILE A 9 15.748 -3.340 2.069 1.00 0.00 H new ATOM 0 HB ILE A 9 15.683 -5.683 2.082 1.00 0.00 H new ATOM 0 HG12 ILE A 9 16.931 -5.386 -0.586 1.00 0.00 H new ATOM 0 HG13 ILE A 9 17.470 -4.238 0.623 1.00 0.00 H new ATOM 0 HG21 ILE A 9 14.992 -7.039 0.151 1.00 0.00 H new ATOM 0 HG22 ILE A 9 13.652 -6.065 0.800 1.00 0.00 H new ATOM 0 HG23 ILE A 9 14.476 -5.562 -0.696 1.00 0.00 H new ATOM 0 HD11 ILE A 9 18.869 -6.278 0.666 1.00 0.00 H new ATOM 0 HD12 ILE A 9 17.972 -6.106 2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 9 17.424 -7.272 0.966 1.00 0.00 H new ATOM 156 N ALA A 10 14.071 -2.448 -0.419 1.00 0.00 N ATOM 157 CA ALA A 10 14.034 -1.603 -1.601 1.00 0.00 C ATOM 158 C ALA A 10 12.785 -0.720 -1.552 1.00 0.00 C ATOM 159 O ALA A 10 11.669 -1.224 -1.427 1.00 0.00 O ATOM 160 CB ALA A 10 14.081 -2.478 -2.856 1.00 0.00 C ATOM 0 H ALA A 10 13.159 -2.650 -0.010 1.00 0.00 H new ATOM 0 HA ALA A 10 14.902 -0.945 -1.630 1.00 0.00 H new ATOM 0 HB1 ALA A 10 14.053 -1.844 -3.743 1.00 0.00 H new ATOM 0 HB2 ALA A 10 15.000 -3.064 -2.857 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.223 -3.150 -2.863 1.00 0.00 H new ATOM 166 N TYR A 11 13.014 0.581 -1.655 1.00 0.00 N ATOM 167 CA TYR A 11 11.921 1.538 -1.624 1.00 0.00 C ATOM 168 C TYR A 11 11.972 2.467 -2.839 1.00 0.00 C ATOM 169 O TYR A 11 13.046 2.741 -3.370 1.00 0.00 O ATOM 170 CB TYR A 11 12.122 2.367 -0.354 1.00 0.00 C ATOM 171 CG TYR A 11 13.405 3.200 -0.352 1.00 0.00 C ATOM 172 CD1 TYR A 11 14.597 2.631 0.048 1.00 0.00 C ATOM 173 CD2 TYR A 11 13.370 4.522 -0.749 1.00 0.00 C ATOM 174 CE1 TYR A 11 15.805 3.416 0.050 1.00 0.00 C ATOM 175 CE2 TYR A 11 14.578 5.306 -0.747 1.00 0.00 C ATOM 176 CZ TYR A 11 15.735 4.714 -0.347 1.00 0.00 C ATOM 177 OH TYR A 11 16.876 5.455 -0.345 1.00 0.00 O ATOM 0 H TYR A 11 13.940 0.995 -1.760 1.00 0.00 H new ATOM 0 HA TYR A 11 10.960 1.024 -1.640 1.00 0.00 H new ATOM 0 HB2 TYR A 11 11.268 3.033 -0.228 1.00 0.00 H new ATOM 0 HB3 TYR A 11 12.134 1.698 0.506 1.00 0.00 H new ATOM 0 HD1 TYR A 11 14.624 1.597 0.360 1.00 0.00 H new ATOM 0 HD2 TYR A 11 12.437 4.968 -1.061 1.00 0.00 H new ATOM 0 HE1 TYR A 11 16.745 2.983 0.360 1.00 0.00 H new ATOM 0 HE2 TYR A 11 14.565 6.341 -1.056 1.00 0.00 H new ATOM 0 HH TYR A 11 16.677 6.364 -0.653 1.00 0.00 H new ATOM 187 N LYS A 12 10.796 2.925 -3.242 1.00 0.00 N ATOM 188 CA LYS A 12 10.692 3.818 -4.383 1.00 0.00 C ATOM 189 C LYS A 12 9.717 4.949 -4.054 1.00 0.00 C ATOM 190 O LYS A 12 9.244 5.057 -2.924 1.00 0.00 O ATOM 191 CB LYS A 12 10.323 3.035 -5.645 1.00 0.00 C ATOM 192 CG LYS A 12 11.431 2.050 -6.025 1.00 0.00 C ATOM 193 CD LYS A 12 12.065 2.429 -7.365 1.00 0.00 C ATOM 194 CE LYS A 12 13.009 3.623 -7.208 1.00 0.00 C ATOM 195 NZ LYS A 12 14.417 3.169 -7.175 1.00 0.00 N ATOM 0 H LYS A 12 9.907 2.694 -2.799 1.00 0.00 H new ATOM 0 HA LYS A 12 11.657 4.280 -4.593 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.391 2.494 -5.482 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.149 3.727 -6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.195 2.039 -5.247 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.022 1.042 -6.085 1.00 0.00 H new ATOM 0 HD2 LYS A 12 12.614 1.577 -7.765 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.284 2.671 -8.085 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.864 4.320 -8.034 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.773 4.163 -6.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 15.045 3.991 -7.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 14.554 2.522 -6.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 14.643 2.674 -8.061 1.00 0.00 H new ATOM 209 N THR A 13 9.445 5.765 -5.063 1.00 0.00 N ATOM 210 CA THR A 13 8.534 6.884 -4.895 1.00 0.00 C ATOM 211 C THR A 13 7.136 6.515 -5.395 1.00 0.00 C ATOM 212 O THR A 13 6.994 5.699 -6.305 1.00 0.00 O ATOM 213 CB THR A 13 9.135 8.095 -5.611 1.00 0.00 C ATOM 214 OG1 THR A 13 8.535 8.067 -6.904 1.00 0.00 O ATOM 215 CG2 THR A 13 10.631 7.927 -5.891 1.00 0.00 C ATOM 0 H THR A 13 9.840 5.673 -5.999 1.00 0.00 H new ATOM 0 HA THR A 13 8.411 7.138 -3.842 1.00 0.00 H new ATOM 0 HB THR A 13 8.977 8.989 -5.008 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.868 8.820 -7.435 1.00 0.00 H new ATOM 0 HG21 THR A 13 11.008 8.814 -6.400 1.00 0.00 H new ATOM 0 HG22 THR A 13 11.165 7.795 -4.950 1.00 0.00 H new ATOM 0 HG23 THR A 13 10.787 7.052 -6.523 1.00 0.00 H new ATOM 223 N CYS A 14 6.139 7.134 -4.780 1.00 0.00 N ATOM 224 CA CYS A 14 4.758 6.879 -5.151 1.00 0.00 C ATOM 225 C CYS A 14 4.493 7.548 -6.502 1.00 0.00 C ATOM 226 O CYS A 14 4.423 8.773 -6.589 1.00 0.00 O ATOM 227 CB CYS A 14 3.784 7.362 -4.075 1.00 0.00 C ATOM 228 SG CYS A 14 3.907 6.479 -2.477 1.00 0.00 S ATOM 0 H CYS A 14 6.260 7.812 -4.027 1.00 0.00 H new ATOM 0 HA CYS A 14 4.595 5.805 -5.239 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.954 8.424 -3.901 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.767 7.260 -4.453 1.00 0.00 H new ATOM 233 N PRO A 15 4.353 6.714 -7.523 1.00 0.00 N ATOM 234 CA PRO A 15 4.089 7.225 -8.905 1.00 0.00 C ATOM 235 C PRO A 15 2.971 8.296 -9.149 1.00 0.00 C ATOM 236 O PRO A 15 2.177 8.583 -8.255 1.00 0.00 O ATOM 237 CB PRO A 15 3.845 5.920 -9.698 1.00 0.00 C ATOM 238 CG PRO A 15 3.547 4.845 -8.652 1.00 0.00 C ATOM 239 CD PRO A 15 4.414 5.232 -7.455 1.00 0.00 C ATOM 0 HA PRO A 15 4.936 7.837 -9.216 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.011 6.034 -10.390 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.719 5.655 -10.293 1.00 0.00 H new ATOM 0 HG2 PRO A 15 2.489 4.829 -8.388 1.00 0.00 H new ATOM 0 HG3 PRO A 15 3.799 3.851 -9.021 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.016 4.846 -6.516 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.433 4.857 -7.547 1.00 0.00 H new ATOM 247 N GLU A 16 2.966 8.835 -10.359 1.00 0.00 N ATOM 248 CA GLU A 16 1.986 9.842 -10.725 1.00 0.00 C ATOM 249 C GLU A 16 0.569 9.284 -10.573 1.00 0.00 C ATOM 250 O GLU A 16 0.313 8.128 -10.909 1.00 0.00 O ATOM 251 CB GLU A 16 2.224 10.348 -12.149 1.00 0.00 C ATOM 252 CG GLU A 16 3.574 11.061 -12.259 1.00 0.00 C ATOM 253 CD GLU A 16 3.507 12.209 -13.267 1.00 0.00 C ATOM 254 OE1 GLU A 16 3.068 11.940 -14.407 1.00 0.00 O ATOM 255 OE2 GLU A 16 3.896 13.331 -12.876 1.00 0.00 O ATOM 0 H GLU A 16 3.625 8.593 -11.099 1.00 0.00 H new ATOM 0 HA GLU A 16 2.097 10.690 -10.049 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.193 9.511 -12.846 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.424 11.031 -12.435 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.866 11.447 -11.282 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.341 10.349 -12.563 1.00 0.00 H new ATOM 262 N GLY A 17 -0.315 10.130 -10.064 1.00 0.00 N ATOM 263 CA GLY A 17 -1.699 9.735 -9.863 1.00 0.00 C ATOM 264 C GLY A 17 -1.954 9.357 -8.403 1.00 0.00 C ATOM 265 O GLY A 17 -3.058 9.541 -7.893 1.00 0.00 O ATOM 0 H GLY A 17 -0.100 11.087 -9.785 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.360 10.552 -10.152 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.937 8.889 -10.508 1.00 0.00 H new ATOM 269 N LYS A 18 -0.913 8.836 -7.769 1.00 0.00 N ATOM 270 CA LYS A 18 -1.011 8.430 -6.377 1.00 0.00 C ATOM 271 C LYS A 18 -0.452 9.541 -5.486 1.00 0.00 C ATOM 272 O LYS A 18 0.256 10.427 -5.963 1.00 0.00 O ATOM 273 CB LYS A 18 -0.335 7.073 -6.165 1.00 0.00 C ATOM 274 CG LYS A 18 -0.888 6.028 -7.137 1.00 0.00 C ATOM 275 CD LYS A 18 0.236 5.163 -7.709 1.00 0.00 C ATOM 276 CE LYS A 18 -0.293 3.794 -8.144 1.00 0.00 C ATOM 277 NZ LYS A 18 -1.083 3.916 -9.389 1.00 0.00 N ATOM 0 H LYS A 18 0.002 8.686 -8.194 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.054 8.288 -6.094 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.741 7.173 -6.306 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.493 6.740 -5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.613 5.396 -6.624 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.418 6.526 -7.949 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.691 5.668 -8.561 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.017 5.034 -6.960 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.540 3.109 -8.300 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.912 3.369 -7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.434 2.979 -9.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.889 4.554 -9.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.482 4.302 -10.145 1.00 0.00 H new ATOM 291 N ASN A 19 -0.790 9.457 -4.208 1.00 0.00 N ATOM 292 CA ASN A 19 -0.331 10.445 -3.246 1.00 0.00 C ATOM 293 C ASN A 19 -0.087 9.763 -1.899 1.00 0.00 C ATOM 294 O ASN A 19 0.919 10.023 -1.240 1.00 0.00 O ATOM 295 CB ASN A 19 -1.378 11.541 -3.039 1.00 0.00 C ATOM 296 CG ASN A 19 -0.981 12.468 -1.889 1.00 0.00 C ATOM 297 OD1 ASN A 19 0.136 12.950 -1.803 1.00 0.00 O ATOM 298 ND2 ASN A 19 -1.956 12.690 -1.012 1.00 0.00 N ATOM 0 H ASN A 19 -1.376 8.720 -3.816 1.00 0.00 H new ATOM 0 HA ASN A 19 0.585 10.891 -3.632 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -1.490 12.120 -3.956 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -2.347 11.088 -2.828 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -1.791 13.296 -0.208 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -2.869 12.255 -1.143 1.00 0.00 H new ATOM 305 N LEU A 20 -1.025 8.903 -1.528 1.00 0.00 N ATOM 306 CA LEU A 20 -0.925 8.182 -0.270 1.00 0.00 C ATOM 307 C LEU A 20 -0.341 6.792 -0.531 1.00 0.00 C ATOM 308 O LEU A 20 -0.226 6.368 -1.679 1.00 0.00 O ATOM 309 CB LEU A 20 -2.278 8.157 0.443 1.00 0.00 C ATOM 310 CG LEU A 20 -3.086 9.454 0.391 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.469 9.215 -0.219 1.00 0.00 C ATOM 312 CD2 LEU A 20 -3.176 10.101 1.775 1.00 0.00 C ATOM 0 H LEU A 20 -1.858 8.689 -2.077 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.243 8.693 0.410 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.881 7.359 0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.111 7.898 1.488 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.563 10.155 -0.259 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.023 10.154 -0.244 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.358 8.832 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -5.013 8.489 0.385 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.756 11.022 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.663 9.414 2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.173 10.329 2.136 1.00 0.00 H new ATOM 324 N CYS A 21 0.012 6.121 0.556 1.00 0.00 N ATOM 325 CA CYS A 21 0.581 4.787 0.460 1.00 0.00 C ATOM 326 C CYS A 21 -0.498 3.776 0.851 1.00 0.00 C ATOM 327 O CYS A 21 -1.336 4.057 1.706 1.00 0.00 O ATOM 328 CB CYS A 21 1.837 4.645 1.322 1.00 0.00 C ATOM 329 SG CYS A 21 3.371 5.282 0.555 1.00 0.00 S ATOM 0 H CYS A 21 -0.085 6.476 1.507 1.00 0.00 H new ATOM 0 HA CYS A 21 0.901 4.597 -0.565 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.675 5.168 2.264 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.978 3.591 1.562 1.00 0.00 H new ATOM 334 N TYR A 22 -0.441 2.619 0.206 1.00 0.00 N ATOM 335 CA TYR A 22 -1.402 1.564 0.476 1.00 0.00 C ATOM 336 C TYR A 22 -0.697 0.274 0.899 1.00 0.00 C ATOM 337 O TYR A 22 0.430 0.013 0.480 1.00 0.00 O ATOM 338 CB TYR A 22 -2.141 1.320 -0.840 1.00 0.00 C ATOM 339 CG TYR A 22 -1.564 0.175 -1.675 1.00 0.00 C ATOM 340 CD1 TYR A 22 -1.681 -1.127 -1.235 1.00 0.00 C ATOM 341 CD2 TYR A 22 -0.926 0.445 -2.869 1.00 0.00 C ATOM 342 CE1 TYR A 22 -1.137 -2.205 -2.021 1.00 0.00 C ATOM 343 CE2 TYR A 22 -0.382 -0.632 -3.655 1.00 0.00 C ATOM 344 CZ TYR A 22 -0.515 -1.904 -3.192 1.00 0.00 C ATOM 345 OH TYR A 22 -0.001 -2.921 -3.933 1.00 0.00 O ATOM 0 H TYR A 22 0.256 2.390 -0.503 1.00 0.00 H new ATOM 0 HA TYR A 22 -2.073 1.854 1.284 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.187 1.106 -0.623 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.119 2.235 -1.432 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.181 -1.338 -0.301 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -0.835 1.464 -3.214 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.221 -3.229 -1.688 1.00 0.00 H new ATOM 0 HE2 TYR A 22 0.120 -0.434 -4.591 1.00 0.00 H new ATOM 0 HH TYR A 22 0.413 -2.558 -4.744 1.00 0.00 H new ATOM 355 N LYS A 23 -1.390 -0.500 1.721 1.00 0.00 N ATOM 356 CA LYS A 23 -0.843 -1.757 2.204 1.00 0.00 C ATOM 357 C LYS A 23 -1.907 -2.851 2.084 1.00 0.00 C ATOM 358 O LYS A 23 -2.947 -2.784 2.738 1.00 0.00 O ATOM 359 CB LYS A 23 -0.288 -1.592 3.621 1.00 0.00 C ATOM 360 CG LYS A 23 1.201 -1.937 3.670 1.00 0.00 C ATOM 361 CD LYS A 23 1.851 -1.377 4.937 1.00 0.00 C ATOM 362 CE LYS A 23 2.975 -2.294 5.427 1.00 0.00 C ATOM 363 NZ LYS A 23 3.062 -2.263 6.903 1.00 0.00 N ATOM 0 H LYS A 23 -2.325 -0.281 2.065 1.00 0.00 H new ATOM 0 HA LYS A 23 0.003 -2.065 1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.438 -0.566 3.957 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.837 -2.236 4.308 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.329 -3.019 3.639 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.701 -1.532 2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 23 2.249 -0.382 4.737 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.099 -1.268 5.718 1.00 0.00 H new ATOM 0 HE2 LYS A 23 2.794 -3.314 5.089 1.00 0.00 H new ATOM 0 HE3 LYS A 23 3.924 -1.979 4.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.829 -2.890 7.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.257 -1.291 7.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.161 -2.586 7.311 1.00 0.00 H new ATOM 377 N MET A 24 -1.610 -3.830 1.243 1.00 0.00 N ATOM 378 CA MET A 24 -2.529 -4.936 1.030 1.00 0.00 C ATOM 379 C MET A 24 -2.114 -6.160 1.850 1.00 0.00 C ATOM 380 O MET A 24 -0.970 -6.605 1.771 1.00 0.00 O ATOM 381 CB MET A 24 -2.552 -5.300 -0.456 1.00 0.00 C ATOM 382 CG MET A 24 -3.424 -4.323 -1.247 1.00 0.00 C ATOM 383 SD MET A 24 -3.199 -4.583 -2.998 1.00 0.00 S ATOM 384 CE MET A 24 -4.073 -6.127 -3.197 1.00 0.00 C ATOM 0 H MET A 24 -0.747 -3.881 0.701 1.00 0.00 H new ATOM 0 HA MET A 24 -3.523 -4.626 1.353 1.00 0.00 H new ATOM 0 HB2 MET A 24 -1.537 -5.289 -0.852 1.00 0.00 H new ATOM 0 HB3 MET A 24 -2.932 -6.314 -0.580 1.00 0.00 H new ATOM 0 HG2 MET A 24 -4.472 -4.462 -0.982 1.00 0.00 H new ATOM 0 HG3 MET A 24 -3.163 -3.297 -0.987 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.232 -6.321 -4.258 1.00 0.00 H new ATOM 0 HE2 MET A 24 -3.485 -6.936 -2.764 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.036 -6.068 -2.691 1.00 0.00 H new ATOM 394 N PHE A 25 -3.067 -6.669 2.616 1.00 0.00 N ATOM 395 CA PHE A 25 -2.815 -7.833 3.448 1.00 0.00 C ATOM 396 C PHE A 25 -3.924 -8.875 3.285 1.00 0.00 C ATOM 397 O PHE A 25 -5.066 -8.529 2.991 1.00 0.00 O ATOM 398 CB PHE A 25 -2.796 -7.349 4.900 1.00 0.00 C ATOM 399 CG PHE A 25 -1.854 -6.169 5.150 1.00 0.00 C ATOM 400 CD1 PHE A 25 -0.668 -6.093 4.487 1.00 0.00 C ATOM 401 CD2 PHE A 25 -2.201 -5.198 6.036 1.00 0.00 C ATOM 402 CE1 PHE A 25 0.206 -4.999 4.720 1.00 0.00 C ATOM 403 CE2 PHE A 25 -1.326 -4.104 6.268 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.141 -4.028 5.605 1.00 0.00 C ATOM 0 H PHE A 25 -4.015 -6.297 2.678 1.00 0.00 H new ATOM 0 HA PHE A 25 -1.872 -8.298 3.161 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.807 -7.062 5.190 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -2.503 -8.178 5.545 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -0.392 -6.865 3.784 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.142 -5.259 6.563 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.147 -4.938 4.194 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.602 -3.332 6.971 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.524 -3.196 5.782 1.00 0.00 H new ATOM 414 N MET A 26 -3.547 -10.129 3.484 1.00 0.00 N ATOM 415 CA MET A 26 -4.495 -11.224 3.363 1.00 0.00 C ATOM 416 C MET A 26 -5.262 -11.431 4.670 1.00 0.00 C ATOM 417 O MET A 26 -4.808 -11.013 5.734 1.00 0.00 O ATOM 418 CB MET A 26 -3.748 -12.508 2.998 1.00 0.00 C ATOM 419 CG MET A 26 -3.092 -12.390 1.622 1.00 0.00 C ATOM 420 SD MET A 26 -2.811 -14.014 0.937 1.00 0.00 S ATOM 421 CE MET A 26 -4.498 -14.578 0.776 1.00 0.00 C ATOM 0 H MET A 26 -2.598 -10.412 3.728 1.00 0.00 H new ATOM 0 HA MET A 26 -5.211 -10.976 2.580 1.00 0.00 H new ATOM 0 HB2 MET A 26 -2.987 -12.716 3.750 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.441 -13.350 3.003 1.00 0.00 H new ATOM 0 HG2 MET A 26 -3.730 -11.810 0.955 1.00 0.00 H new ATOM 0 HG3 MET A 26 -2.147 -11.853 1.706 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.587 -15.213 -0.106 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.778 -15.147 1.663 1.00 0.00 H new ATOM 0 HE3 MET A 26 -5.161 -13.719 0.673 1.00 0.00 H new ATOM 431 N MET A 27 -6.411 -12.079 4.547 1.00 0.00 N ATOM 432 CA MET A 27 -7.246 -12.347 5.706 1.00 0.00 C ATOM 433 C MET A 27 -6.542 -13.291 6.682 1.00 0.00 C ATOM 434 O MET A 27 -6.681 -13.152 7.897 1.00 0.00 O ATOM 435 CB MET A 27 -8.565 -12.976 5.250 1.00 0.00 C ATOM 436 CG MET A 27 -9.587 -11.898 4.879 1.00 0.00 C ATOM 437 SD MET A 27 -10.324 -11.221 6.356 1.00 0.00 S ATOM 438 CE MET A 27 -11.423 -12.558 6.795 1.00 0.00 C ATOM 0 H MET A 27 -6.783 -12.426 3.663 1.00 0.00 H new ATOM 0 HA MET A 27 -7.440 -11.404 6.217 1.00 0.00 H new ATOM 0 HB2 MET A 27 -8.386 -13.623 4.391 1.00 0.00 H new ATOM 0 HB3 MET A 27 -8.966 -13.605 6.045 1.00 0.00 H new ATOM 0 HG2 MET A 27 -9.101 -11.106 4.309 1.00 0.00 H new ATOM 0 HG3 MET A 27 -10.360 -12.323 4.239 1.00 0.00 H new ATOM 0 HE1 MET A 27 -12.335 -12.151 7.231 1.00 0.00 H new ATOM 0 HE2 MET A 27 -11.672 -13.132 5.903 1.00 0.00 H new ATOM 0 HE3 MET A 27 -10.934 -13.208 7.520 1.00 0.00 H new ATOM 448 N SER A 28 -5.799 -14.231 6.116 1.00 0.00 N ATOM 449 CA SER A 28 -5.072 -15.197 6.921 1.00 0.00 C ATOM 450 C SER A 28 -3.931 -14.503 7.667 1.00 0.00 C ATOM 451 O SER A 28 -4.149 -13.891 8.711 1.00 0.00 O ATOM 452 CB SER A 28 -4.525 -16.335 6.057 1.00 0.00 C ATOM 453 OG SER A 28 -3.733 -17.246 6.811 1.00 0.00 O ATOM 0 H SER A 28 -5.685 -14.344 5.109 1.00 0.00 H new ATOM 0 HA SER A 28 -5.764 -15.627 7.645 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.355 -16.871 5.597 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.926 -15.919 5.247 1.00 0.00 H new ATOM 0 HG SER A 28 -3.404 -17.958 6.223 1.00 0.00 H new ATOM 459 N ASP A 29 -2.738 -14.623 7.103 1.00 0.00 N ATOM 460 CA ASP A 29 -1.562 -14.015 7.702 1.00 0.00 C ATOM 461 C ASP A 29 -1.568 -12.512 7.415 1.00 0.00 C ATOM 462 O ASP A 29 -0.918 -12.053 6.477 1.00 0.00 O ATOM 463 CB ASP A 29 -0.278 -14.603 7.115 1.00 0.00 C ATOM 464 CG ASP A 29 0.945 -14.532 8.032 1.00 0.00 C ATOM 465 OD1 ASP A 29 1.188 -13.429 8.568 1.00 0.00 O ATOM 466 OD2 ASP A 29 1.608 -15.581 8.176 1.00 0.00 O ATOM 0 H ASP A 29 -2.561 -15.132 6.237 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.591 -14.210 8.774 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.459 -15.646 6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.048 -14.080 6.187 1.00 0.00 H new ATOM 471 N LEU A 30 -2.310 -11.787 8.239 1.00 0.00 N ATOM 472 CA LEU A 30 -2.410 -10.346 8.087 1.00 0.00 C ATOM 473 C LEU A 30 -1.106 -9.696 8.555 1.00 0.00 C ATOM 474 O LEU A 30 -0.893 -8.503 8.347 1.00 0.00 O ATOM 475 CB LEU A 30 -3.653 -9.815 8.802 1.00 0.00 C ATOM 476 CG LEU A 30 -4.936 -10.628 8.610 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.332 -11.339 9.905 1.00 0.00 C ATOM 478 CD2 LEU A 30 -6.065 -9.750 8.069 1.00 0.00 C ATOM 0 H LEU A 30 -2.848 -12.172 9.015 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.539 -10.083 7.037 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.438 -9.759 9.869 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.837 -8.796 8.460 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.744 -11.400 7.865 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.246 -11.909 9.742 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.532 -12.014 10.208 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.500 -10.600 10.689 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.965 -10.352 7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.266 -8.941 8.772 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.770 -9.330 7.107 1.00 0.00 H new ATOM 490 N THR A 31 -0.268 -10.510 9.181 1.00 0.00 N ATOM 491 CA THR A 31 1.009 -10.030 9.681 1.00 0.00 C ATOM 492 C THR A 31 2.072 -10.098 8.583 1.00 0.00 C ATOM 493 O THR A 31 3.106 -9.439 8.674 1.00 0.00 O ATOM 494 CB THR A 31 1.366 -10.846 10.925 1.00 0.00 C ATOM 495 OG1 THR A 31 1.341 -9.893 11.984 1.00 0.00 O ATOM 496 CG2 THR A 31 2.813 -11.342 10.903 1.00 0.00 C ATOM 0 H THR A 31 -0.449 -11.499 9.353 1.00 0.00 H new ATOM 0 HA THR A 31 0.952 -8.980 9.969 1.00 0.00 H new ATOM 0 HB THR A 31 0.691 -11.698 11.007 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.560 -10.338 12.829 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.015 -11.915 11.808 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.967 -11.976 10.030 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.489 -10.489 10.856 1.00 0.00 H new ATOM 504 N ILE A 32 1.780 -10.902 7.570 1.00 0.00 N ATOM 505 CA ILE A 32 2.698 -11.066 6.456 1.00 0.00 C ATOM 506 C ILE A 32 2.056 -10.504 5.185 1.00 0.00 C ATOM 507 O ILE A 32 1.245 -11.174 4.547 1.00 0.00 O ATOM 508 CB ILE A 32 3.134 -12.527 6.331 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.312 -12.828 7.260 1.00 0.00 C ATOM 510 CG2 ILE A 32 3.446 -12.883 4.876 1.00 0.00 C ATOM 511 CD1 ILE A 32 4.481 -14.337 7.457 1.00 0.00 C ATOM 0 H ILE A 32 0.921 -11.447 7.498 1.00 0.00 H new ATOM 0 HA ILE A 32 3.613 -10.499 6.629 1.00 0.00 H new ATOM 0 HB ILE A 32 2.305 -13.160 6.647 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.227 -12.407 6.842 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.152 -12.347 8.225 1.00 0.00 H new ATOM 0 HG21 ILE A 32 3.754 -13.927 4.815 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.556 -12.730 4.265 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.251 -12.246 4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.325 -14.525 8.121 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.574 -14.750 7.897 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.665 -14.811 6.493 1.00 0.00 H new ATOM 523 N PRO A 33 2.444 -9.281 4.856 1.00 0.00 N ATOM 524 CA PRO A 33 1.900 -8.601 3.637 1.00 0.00 C ATOM 525 C PRO A 33 1.868 -9.357 2.264 1.00 0.00 C ATOM 526 O PRO A 33 2.704 -10.222 2.008 1.00 0.00 O ATOM 527 CB PRO A 33 2.738 -7.304 3.580 1.00 0.00 C ATOM 528 CG PRO A 33 3.201 -7.041 5.014 1.00 0.00 C ATOM 529 CD PRO A 33 3.418 -8.434 5.602 1.00 0.00 C ATOM 0 HA PRO A 33 0.823 -8.483 3.757 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.590 -7.418 2.909 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.144 -6.472 3.202 1.00 0.00 H new ATOM 0 HG2 PRO A 33 4.119 -6.453 5.034 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.453 -6.483 5.578 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.442 -8.776 5.456 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.226 -8.451 6.675 1.00 0.00 H new ATOM 537 N VAL A 34 0.894 -8.988 1.445 1.00 0.00 N ATOM 538 CA VAL A 34 0.742 -9.604 0.137 1.00 0.00 C ATOM 539 C VAL A 34 1.216 -8.627 -0.940 1.00 0.00 C ATOM 540 O VAL A 34 1.968 -9.004 -1.838 1.00 0.00 O ATOM 541 CB VAL A 34 -0.706 -10.058 -0.062 1.00 0.00 C ATOM 542 CG1 VAL A 34 -0.784 -11.575 -0.240 1.00 0.00 C ATOM 543 CG2 VAL A 34 -1.589 -9.595 1.096 1.00 0.00 C ATOM 0 H VAL A 34 0.202 -8.270 1.661 1.00 0.00 H new ATOM 0 HA VAL A 34 1.362 -10.497 0.061 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.081 -9.594 -0.974 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.823 -11.872 -0.380 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.202 -11.869 -1.113 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.382 -12.066 0.646 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.613 -9.931 0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.216 -10.017 2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.569 -8.507 1.156 1.00 0.00 H new ATOM 553 N LYS A 35 0.759 -7.390 -0.814 1.00 0.00 N ATOM 554 CA LYS A 35 1.126 -6.355 -1.767 1.00 0.00 C ATOM 555 C LYS A 35 1.305 -5.028 -1.028 1.00 0.00 C ATOM 556 O LYS A 35 0.687 -4.806 0.013 1.00 0.00 O ATOM 557 CB LYS A 35 0.110 -6.293 -2.908 1.00 0.00 C ATOM 558 CG LYS A 35 -0.279 -7.696 -3.375 1.00 0.00 C ATOM 559 CD LYS A 35 -0.874 -7.661 -4.784 1.00 0.00 C ATOM 560 CE LYS A 35 0.163 -8.080 -5.828 1.00 0.00 C ATOM 561 NZ LYS A 35 0.924 -6.904 -6.304 1.00 0.00 N ATOM 0 H LYS A 35 0.138 -7.080 -0.067 1.00 0.00 H new ATOM 0 HA LYS A 35 2.082 -6.590 -2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.780 -5.756 -2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.530 -5.732 -3.743 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.598 -8.343 -3.363 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.002 -8.126 -2.682 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.736 -8.326 -4.835 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.233 -6.656 -5.006 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.846 -8.812 -5.397 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -0.334 -8.564 -6.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.576 -7.195 -7.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.264 -6.189 -6.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.468 -6.500 -5.515 1.00 0.00 H new ATOM 575 N ARG A 36 2.152 -4.181 -1.594 1.00 0.00 N ATOM 576 CA ARG A 36 2.419 -2.881 -1.001 1.00 0.00 C ATOM 577 C ARG A 36 2.809 -1.875 -2.085 1.00 0.00 C ATOM 578 O ARG A 36 3.706 -2.134 -2.885 1.00 0.00 O ATOM 579 CB ARG A 36 3.542 -2.968 0.034 1.00 0.00 C ATOM 580 CG ARG A 36 3.055 -3.646 1.316 1.00 0.00 C ATOM 581 CD ARG A 36 4.147 -3.638 2.389 1.00 0.00 C ATOM 582 NE ARG A 36 4.644 -5.013 2.616 1.00 0.00 N ATOM 583 CZ ARG A 36 5.602 -5.330 3.497 1.00 0.00 C ATOM 584 NH1 ARG A 36 6.172 -4.372 4.241 1.00 0.00 N ATOM 585 NH2 ARG A 36 5.991 -6.605 3.636 1.00 0.00 N ATOM 0 H ARG A 36 2.662 -4.369 -2.457 1.00 0.00 H new ATOM 0 HA ARG A 36 1.508 -2.549 -0.503 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.381 -3.527 -0.381 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.908 -1.967 0.264 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.169 -3.132 1.690 1.00 0.00 H new ATOM 0 HG3 ARG A 36 2.760 -4.673 1.099 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.968 -2.992 2.079 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.752 -3.227 3.318 1.00 0.00 H new ATOM 0 HE ARG A 36 4.231 -5.767 2.067 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.876 -3.401 4.136 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.901 -4.614 4.912 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.558 -7.335 3.071 1.00 0.00 H new ATOM 0 HH22 ARG A 36 6.721 -6.845 4.307 1.00 0.00 H new ATOM 599 N GLY A 37 2.116 -0.745 -2.076 1.00 0.00 N ATOM 600 CA GLY A 37 2.379 0.302 -3.048 1.00 0.00 C ATOM 601 C GLY A 37 1.747 1.626 -2.612 1.00 0.00 C ATOM 602 O GLY A 37 1.647 1.907 -1.418 1.00 0.00 O ATOM 0 H GLY A 37 1.373 -0.532 -1.411 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.455 0.430 -3.168 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.983 0.009 -4.020 1.00 0.00 H new ATOM 606 N CYS A 38 1.339 2.405 -3.603 1.00 0.00 N ATOM 607 CA CYS A 38 0.720 3.692 -3.337 1.00 0.00 C ATOM 608 C CYS A 38 -0.647 3.719 -4.025 1.00 0.00 C ATOM 609 O CYS A 38 -0.923 2.897 -4.897 1.00 0.00 O ATOM 610 CB CYS A 38 1.610 4.851 -3.790 1.00 0.00 C ATOM 611 SG CYS A 38 3.358 4.729 -3.262 1.00 0.00 S ATOM 0 H CYS A 38 1.425 2.169 -4.592 1.00 0.00 H new ATOM 0 HA CYS A 38 0.587 3.820 -2.263 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.577 4.912 -4.878 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.193 5.782 -3.406 1.00 0.00 H new ATOM 616 N ILE A 39 -1.465 4.673 -3.605 1.00 0.00 N ATOM 617 CA ILE A 39 -2.796 4.818 -4.170 1.00 0.00 C ATOM 618 C ILE A 39 -3.235 6.279 -4.061 1.00 0.00 C ATOM 619 O ILE A 39 -2.642 7.056 -3.314 1.00 0.00 O ATOM 620 CB ILE A 39 -3.767 3.834 -3.513 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.870 3.418 -4.489 1.00 0.00 C ATOM 622 CG2 ILE A 39 -4.336 4.410 -2.216 1.00 0.00 C ATOM 623 CD1 ILE A 39 -4.771 1.930 -4.827 1.00 0.00 C ATOM 0 H ILE A 39 -1.232 5.353 -2.881 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.789 4.565 -5.230 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.214 2.932 -3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.846 3.631 -4.053 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.794 4.008 -5.402 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.023 3.691 -1.769 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.522 4.614 -1.521 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.869 5.336 -2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.566 1.661 -5.522 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.804 1.725 -5.285 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.872 1.342 -3.915 1.00 0.00 H new ATOM 635 N ASP A 40 -4.270 6.611 -4.819 1.00 0.00 N ATOM 636 CA ASP A 40 -4.795 7.966 -4.818 1.00 0.00 C ATOM 637 C ASP A 40 -5.927 8.069 -3.793 1.00 0.00 C ATOM 638 O ASP A 40 -6.031 9.062 -3.075 1.00 0.00 O ATOM 639 CB ASP A 40 -5.364 8.338 -6.188 1.00 0.00 C ATOM 640 CG ASP A 40 -6.019 9.719 -6.264 1.00 0.00 C ATOM 641 OD1 ASP A 40 -5.256 10.704 -6.369 1.00 0.00 O ATOM 642 OD2 ASP A 40 -7.267 9.758 -6.215 1.00 0.00 O ATOM 0 H ASP A 40 -4.759 5.965 -5.438 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.978 8.643 -4.571 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -4.560 8.293 -6.923 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -6.100 7.587 -6.475 1.00 0.00 H new ATOM 647 N VAL A 41 -6.746 7.028 -3.757 1.00 0.00 N ATOM 648 CA VAL A 41 -7.866 6.989 -2.832 1.00 0.00 C ATOM 649 C VAL A 41 -7.787 5.709 -1.997 1.00 0.00 C ATOM 650 O VAL A 41 -7.388 4.660 -2.498 1.00 0.00 O ATOM 651 CB VAL A 41 -9.183 7.122 -3.599 1.00 0.00 C ATOM 652 CG1 VAL A 41 -10.287 6.293 -2.940 1.00 0.00 C ATOM 653 CG2 VAL A 41 -9.599 8.589 -3.723 1.00 0.00 C ATOM 0 H VAL A 41 -6.656 6.205 -4.353 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.821 7.831 -2.142 1.00 0.00 H new ATOM 0 HB VAL A 41 -9.026 6.732 -4.605 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.213 6.405 -3.505 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -9.995 5.243 -2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.441 6.639 -1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -10.538 8.656 -4.272 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -9.729 9.016 -2.728 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -8.826 9.142 -4.257 1.00 0.00 H new ATOM 663 N CYS A 42 -8.175 5.838 -0.737 1.00 0.00 N ATOM 664 CA CYS A 42 -8.154 4.705 0.173 1.00 0.00 C ATOM 665 C CYS A 42 -9.158 3.667 -0.329 1.00 0.00 C ATOM 666 O CYS A 42 -10.368 3.865 -0.220 1.00 0.00 O ATOM 667 CB CYS A 42 -8.442 5.130 1.614 1.00 0.00 C ATOM 668 SG CYS A 42 -7.721 4.042 2.895 1.00 0.00 S ATOM 0 H CYS A 42 -8.506 6.710 -0.324 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.157 4.266 0.187 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -8.064 6.141 1.762 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.522 5.170 1.757 1.00 0.00 H new ATOM 673 N PRO A 43 -8.622 2.583 -0.868 1.00 0.00 N ATOM 674 CA PRO A 43 -9.483 1.479 -1.403 1.00 0.00 C ATOM 675 C PRO A 43 -10.407 0.663 -0.434 1.00 0.00 C ATOM 676 O PRO A 43 -10.119 0.548 0.755 1.00 0.00 O ATOM 677 CB PRO A 43 -8.458 0.587 -2.138 1.00 0.00 C ATOM 678 CG PRO A 43 -7.192 1.434 -2.281 1.00 0.00 C ATOM 679 CD PRO A 43 -7.178 2.305 -1.027 1.00 0.00 C ATOM 0 HA PRO A 43 -10.273 1.919 -2.011 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.257 -0.324 -1.574 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.835 0.281 -3.114 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.300 0.810 -2.342 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -7.219 2.040 -3.186 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.760 1.783 -0.166 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -6.594 3.215 -1.162 1.00 0.00 H new ATOM 687 N LYS A 44 -11.481 0.131 -1.001 1.00 0.00 N ATOM 688 CA LYS A 44 -12.426 -0.651 -0.224 1.00 0.00 C ATOM 689 C LYS A 44 -11.828 -2.030 0.061 1.00 0.00 C ATOM 690 O LYS A 44 -11.257 -2.658 -0.829 1.00 0.00 O ATOM 691 CB LYS A 44 -13.785 -0.703 -0.927 1.00 0.00 C ATOM 692 CG LYS A 44 -14.247 0.698 -1.333 1.00 0.00 C ATOM 693 CD LYS A 44 -13.950 0.968 -2.809 1.00 0.00 C ATOM 694 CE LYS A 44 -15.196 1.478 -3.534 1.00 0.00 C ATOM 695 NZ LYS A 44 -15.134 1.139 -4.973 1.00 0.00 N ATOM 0 H LYS A 44 -11.717 0.227 -1.989 1.00 0.00 H new ATOM 0 HA LYS A 44 -12.610 -0.177 0.740 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -13.717 -1.338 -1.811 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.523 -1.156 -0.265 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.317 0.799 -1.149 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -13.746 1.443 -0.715 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -13.149 1.702 -2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.596 0.054 -3.286 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -16.088 1.038 -3.089 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -15.278 2.558 -3.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -15.988 1.493 -5.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -14.293 1.579 -5.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -15.078 0.107 -5.084 1.00 0.00 H new ATOM 709 N ASN A 45 -11.979 -2.460 1.304 1.00 0.00 N ATOM 710 CA ASN A 45 -11.461 -3.753 1.718 1.00 0.00 C ATOM 711 C ASN A 45 -12.489 -4.838 1.391 1.00 0.00 C ATOM 712 O ASN A 45 -13.685 -4.564 1.325 1.00 0.00 O ATOM 713 CB ASN A 45 -11.201 -3.786 3.225 1.00 0.00 C ATOM 714 CG ASN A 45 -10.594 -2.466 3.707 1.00 0.00 C ATOM 715 OD1 ASN A 45 -9.413 -2.202 3.549 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.464 -1.655 4.300 1.00 0.00 N ATOM 0 H ASN A 45 -12.453 -1.936 2.039 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.525 -3.927 1.187 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -12.135 -3.976 3.754 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -10.527 -4.609 3.463 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -11.157 -0.750 4.655 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -12.439 -1.938 4.400 1.00 0.00 H new ATOM 723 N SER A 46 -11.983 -6.047 1.197 1.00 0.00 N ATOM 724 CA SER A 46 -12.843 -7.175 0.879 1.00 0.00 C ATOM 725 C SER A 46 -12.763 -8.223 1.990 1.00 0.00 C ATOM 726 O SER A 46 -12.016 -8.056 2.953 1.00 0.00 O ATOM 727 CB SER A 46 -12.461 -7.796 -0.467 1.00 0.00 C ATOM 728 OG SER A 46 -11.085 -8.167 -0.511 1.00 0.00 O ATOM 0 H SER A 46 -10.989 -6.270 1.254 1.00 0.00 H new ATOM 0 HA SER A 46 -13.869 -6.814 0.803 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.080 -8.675 -0.650 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.671 -7.086 -1.267 1.00 0.00 H new ATOM 0 HG SER A 46 -10.598 -7.701 0.200 1.00 0.00 H new ATOM 734 N LEU A 47 -13.543 -9.281 1.818 1.00 0.00 N ATOM 735 CA LEU A 47 -13.570 -10.356 2.796 1.00 0.00 C ATOM 736 C LEU A 47 -12.430 -11.334 2.503 1.00 0.00 C ATOM 737 O LEU A 47 -12.346 -12.397 3.116 1.00 0.00 O ATOM 738 CB LEU A 47 -14.951 -11.014 2.830 1.00 0.00 C ATOM 739 CG LEU A 47 -16.091 -10.151 3.372 1.00 0.00 C ATOM 740 CD1 LEU A 47 -17.446 -10.825 3.142 1.00 0.00 C ATOM 741 CD2 LEU A 47 -15.866 -9.808 4.847 1.00 0.00 C ATOM 0 H LEU A 47 -14.160 -9.417 1.017 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.404 -9.963 3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.208 -11.326 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -14.886 -11.918 3.436 1.00 0.00 H new ATOM 0 HG LEU A 47 -16.100 -9.211 2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -18.240 -10.191 3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -17.600 -10.977 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -17.464 -11.788 3.652 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -16.691 -9.194 5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -15.816 -10.727 5.431 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.931 -9.259 4.954 1.00 0.00 H new ATOM 753 N LEU A 48 -11.580 -10.938 1.566 1.00 0.00 N ATOM 754 CA LEU A 48 -10.449 -11.766 1.185 1.00 0.00 C ATOM 755 C LEU A 48 -9.151 -11.078 1.612 1.00 0.00 C ATOM 756 O LEU A 48 -8.338 -11.664 2.327 1.00 0.00 O ATOM 757 CB LEU A 48 -10.506 -12.098 -0.308 1.00 0.00 C ATOM 758 CG LEU A 48 -11.824 -12.688 -0.813 1.00 0.00 C ATOM 759 CD1 LEU A 48 -12.282 -11.989 -2.095 1.00 0.00 C ATOM 760 CD2 LEU A 48 -11.711 -14.204 -0.996 1.00 0.00 C ATOM 0 H LEU A 48 -11.652 -10.055 1.060 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.488 -12.724 1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.299 -11.188 -0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.705 -12.802 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 48 -12.590 -12.510 -0.058 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -13.221 -12.427 -2.433 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -12.427 -10.927 -1.898 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.524 -12.114 -2.868 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -12.661 -14.599 -1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.928 -14.426 -1.721 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.463 -14.668 -0.041 1.00 0.00 H new ATOM 772 N VAL A 49 -8.996 -9.843 1.158 1.00 0.00 N ATOM 773 CA VAL A 49 -7.811 -9.067 1.483 1.00 0.00 C ATOM 774 C VAL A 49 -8.234 -7.686 1.987 1.00 0.00 C ATOM 775 O VAL A 49 -9.228 -7.130 1.523 1.00 0.00 O ATOM 776 CB VAL A 49 -6.878 -9.004 0.273 1.00 0.00 C ATOM 777 CG1 VAL A 49 -6.337 -7.587 0.071 1.00 0.00 C ATOM 778 CG2 VAL A 49 -5.736 -10.012 0.408 1.00 0.00 C ATOM 0 H VAL A 49 -9.672 -9.360 0.567 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.248 -9.546 2.284 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.458 -9.271 -0.611 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.676 -7.570 -0.796 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.168 -6.900 -0.092 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.781 -7.280 0.957 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.088 -9.946 -0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.159 -9.790 1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.146 -11.019 0.480 1.00 0.00 H new ATOM 788 N LYS A 50 -7.456 -7.171 2.928 1.00 0.00 N ATOM 789 CA LYS A 50 -7.737 -5.864 3.498 1.00 0.00 C ATOM 790 C LYS A 50 -6.730 -4.847 2.955 1.00 0.00 C ATOM 791 O LYS A 50 -5.544 -5.148 2.835 1.00 0.00 O ATOM 792 CB LYS A 50 -7.768 -5.942 5.026 1.00 0.00 C ATOM 793 CG LYS A 50 -8.300 -4.641 5.630 1.00 0.00 C ATOM 794 CD LYS A 50 -9.129 -4.918 6.886 1.00 0.00 C ATOM 795 CE LYS A 50 -10.375 -4.031 6.927 1.00 0.00 C ATOM 796 NZ LYS A 50 -10.549 -3.444 8.274 1.00 0.00 N ATOM 0 H LYS A 50 -6.632 -7.635 3.310 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.728 -5.523 3.198 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -8.396 -6.776 5.339 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.765 -6.139 5.404 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.467 -3.983 5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.911 -4.118 4.895 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.424 -5.967 6.907 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.522 -4.740 7.774 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.287 -3.236 6.186 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -11.255 -4.617 6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -11.399 -2.845 8.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.654 -4.206 8.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.716 -2.868 8.512 1.00 0.00 H new ATOM 810 N TYR A 51 -7.242 -3.667 2.639 1.00 0.00 N ATOM 811 CA TYR A 51 -6.402 -2.605 2.112 1.00 0.00 C ATOM 812 C TYR A 51 -6.207 -1.495 3.147 1.00 0.00 C ATOM 813 O TYR A 51 -7.178 -0.960 3.681 1.00 0.00 O ATOM 814 CB TYR A 51 -7.152 -2.035 0.906 1.00 0.00 C ATOM 815 CG TYR A 51 -7.346 -3.035 -0.236 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.127 -4.156 -0.046 1.00 0.00 C ATOM 817 CD2 TYR A 51 -6.738 -2.816 -1.456 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.310 -5.097 -1.121 1.00 0.00 C ATOM 819 CE2 TYR A 51 -6.920 -3.757 -2.530 1.00 0.00 C ATOM 820 CZ TYR A 51 -7.697 -4.851 -2.310 1.00 0.00 C ATOM 821 OH TYR A 51 -7.869 -5.740 -3.325 1.00 0.00 O ATOM 0 H TYR A 51 -8.227 -3.423 2.738 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.417 -2.989 1.849 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.129 -1.679 1.234 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.608 -1.169 0.529 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.601 -4.328 0.909 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -6.126 -1.939 -1.605 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.920 -5.978 -0.986 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.450 -3.598 -3.489 1.00 0.00 H new ATOM 0 HH TYR A 51 -7.374 -5.435 -4.114 1.00 0.00 H new ATOM 831 N VAL A 52 -4.945 -1.181 3.399 1.00 0.00 N ATOM 832 CA VAL A 52 -4.610 -0.144 4.360 1.00 0.00 C ATOM 833 C VAL A 52 -4.133 1.103 3.613 1.00 0.00 C ATOM 834 O VAL A 52 -3.949 1.071 2.398 1.00 0.00 O ATOM 835 CB VAL A 52 -3.579 -0.672 5.360 1.00 0.00 C ATOM 836 CG1 VAL A 52 -3.650 0.101 6.679 1.00 0.00 C ATOM 837 CG2 VAL A 52 -3.760 -2.172 5.594 1.00 0.00 C ATOM 0 H VAL A 52 -4.142 -1.626 2.955 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.489 0.140 4.938 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.588 -0.517 4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.907 -0.294 7.372 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.449 1.156 6.494 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.644 -0.008 7.112 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.015 -2.521 6.309 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -4.758 -2.361 5.989 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -3.636 -2.705 4.651 1.00 0.00 H new ATOM 847 N CYS A 53 -3.948 2.173 4.372 1.00 0.00 N ATOM 848 CA CYS A 53 -3.496 3.429 3.797 1.00 0.00 C ATOM 849 C CYS A 53 -2.571 4.114 4.804 1.00 0.00 C ATOM 850 O CYS A 53 -2.759 3.984 6.013 1.00 0.00 O ATOM 851 CB CYS A 53 -4.673 4.326 3.402 1.00 0.00 C ATOM 852 SG CYS A 53 -5.891 3.544 2.282 1.00 0.00 S ATOM 0 H CYS A 53 -4.103 2.196 5.380 1.00 0.00 H new ATOM 0 HA CYS A 53 -2.947 3.233 2.876 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -5.187 4.647 4.308 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.283 5.223 2.922 1.00 0.00 H new ATOM 857 N CYS A 54 -1.591 4.828 4.269 1.00 0.00 N ATOM 858 CA CYS A 54 -0.636 5.533 5.106 1.00 0.00 C ATOM 859 C CYS A 54 -0.091 6.724 4.315 1.00 0.00 C ATOM 860 O CYS A 54 0.259 6.589 3.144 1.00 0.00 O ATOM 861 CB CYS A 54 0.484 4.609 5.590 1.00 0.00 C ATOM 862 SG CYS A 54 1.241 3.574 4.283 1.00 0.00 S ATOM 0 H CYS A 54 -1.438 4.933 3.266 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.135 5.893 6.006 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.263 5.216 6.051 1.00 0.00 H new ATOM 0 HB3 CYS A 54 0.087 3.956 6.367 1.00 0.00 H new ATOM 867 N ASN A 55 -0.037 7.864 4.987 1.00 0.00 N ATOM 868 CA ASN A 55 0.460 9.079 4.363 1.00 0.00 C ATOM 869 C ASN A 55 1.903 9.324 4.807 1.00 0.00 C ATOM 870 O ASN A 55 2.474 10.375 4.522 1.00 0.00 O ATOM 871 CB ASN A 55 -0.376 10.292 4.777 1.00 0.00 C ATOM 872 CG ASN A 55 -0.900 10.135 6.204 1.00 0.00 C ATOM 873 OD1 ASN A 55 -2.093 10.156 6.461 1.00 0.00 O ATOM 874 ND2 ASN A 55 0.054 9.978 7.118 1.00 0.00 N ATOM 0 H ASN A 55 -0.329 7.972 5.958 1.00 0.00 H new ATOM 0 HA ASN A 55 0.400 8.951 3.282 1.00 0.00 H new ATOM 0 HB2 ASN A 55 0.228 11.196 4.705 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.213 10.413 4.090 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.195 9.866 8.101 1.00 0.00 H new ATOM 0 HD22 ASN A 55 1.034 9.970 6.836 1.00 0.00 H new ATOM 881 N THR A 56 2.451 8.336 5.500 1.00 0.00 N ATOM 882 CA THR A 56 3.815 8.431 5.987 1.00 0.00 C ATOM 883 C THR A 56 4.783 7.783 4.994 1.00 0.00 C ATOM 884 O THR A 56 4.360 7.074 4.082 1.00 0.00 O ATOM 885 CB THR A 56 3.866 7.802 7.381 1.00 0.00 C ATOM 886 OG1 THR A 56 3.195 6.555 7.224 1.00 0.00 O ATOM 887 CG2 THR A 56 3.007 8.560 8.396 1.00 0.00 C ATOM 0 H THR A 56 1.974 7.466 5.735 1.00 0.00 H new ATOM 0 HA THR A 56 4.132 9.471 6.072 1.00 0.00 H new ATOM 0 HB THR A 56 4.899 7.772 7.728 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.184 6.080 8.081 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.078 8.073 9.369 1.00 0.00 H new ATOM 0 HG22 THR A 56 3.362 9.587 8.478 1.00 0.00 H new ATOM 0 HG23 THR A 56 1.968 8.560 8.065 1.00 0.00 H new ATOM 895 N ASP A 57 6.063 8.051 5.204 1.00 0.00 N ATOM 896 CA ASP A 57 7.094 7.503 4.339 1.00 0.00 C ATOM 897 C ASP A 57 7.507 6.123 4.855 1.00 0.00 C ATOM 898 O ASP A 57 7.270 5.795 6.017 1.00 0.00 O ATOM 899 CB ASP A 57 8.337 8.396 4.329 1.00 0.00 C ATOM 900 CG ASP A 57 8.068 9.882 4.577 1.00 0.00 C ATOM 901 OD1 ASP A 57 7.464 10.506 3.678 1.00 0.00 O ATOM 902 OD2 ASP A 57 8.471 10.357 5.660 1.00 0.00 O ATOM 0 H ASP A 57 6.410 8.640 5.961 1.00 0.00 H new ATOM 0 HA ASP A 57 6.688 7.439 3.330 1.00 0.00 H new ATOM 0 HB2 ASP A 57 9.031 8.036 5.089 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.836 8.288 3.366 1.00 0.00 H new ATOM 907 N ARG A 58 8.119 5.353 3.968 1.00 0.00 N ATOM 908 CA ARG A 58 8.568 4.016 4.319 1.00 0.00 C ATOM 909 C ARG A 58 7.541 3.333 5.224 1.00 0.00 C ATOM 910 O ARG A 58 7.907 2.594 6.138 1.00 0.00 O ATOM 911 CB ARG A 58 9.920 4.059 5.035 1.00 0.00 C ATOM 912 CG ARG A 58 11.022 4.550 4.094 1.00 0.00 C ATOM 913 CD ARG A 58 12.233 5.052 4.884 1.00 0.00 C ATOM 914 NE ARG A 58 12.218 6.530 4.948 1.00 0.00 N ATOM 915 CZ ARG A 58 13.174 7.266 5.531 1.00 0.00 C ATOM 916 NH1 ARG A 58 14.227 6.666 6.103 1.00 0.00 N ATOM 917 NH2 ARG A 58 13.078 8.603 5.542 1.00 0.00 N ATOM 0 H ARG A 58 8.315 5.629 3.006 1.00 0.00 H new ATOM 0 HA ARG A 58 8.678 3.449 3.394 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.856 4.717 5.901 1.00 0.00 H new ATOM 0 HB3 ARG A 58 10.170 3.066 5.407 1.00 0.00 H new ATOM 0 HG2 ARG A 58 11.326 3.741 3.430 1.00 0.00 H new ATOM 0 HG3 ARG A 58 10.637 5.351 3.464 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.218 4.636 5.891 1.00 0.00 H new ATOM 0 HD3 ARG A 58 13.153 4.710 4.411 1.00 0.00 H new ATOM 0 HE ARG A 58 11.431 7.019 4.522 1.00 0.00 H new ATOM 0 HH11 ARG A 58 14.301 5.649 6.095 1.00 0.00 H new ATOM 0 HH12 ARG A 58 14.955 7.227 6.547 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.277 9.060 5.107 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.806 9.163 5.986 1.00 0.00 H new ATOM 931 N CYS A 59 6.276 3.603 4.940 1.00 0.00 N ATOM 932 CA CYS A 59 5.193 3.024 5.716 1.00 0.00 C ATOM 933 C CYS A 59 4.878 1.641 5.144 1.00 0.00 C ATOM 934 O CYS A 59 4.779 0.665 5.887 1.00 0.00 O ATOM 935 CB CYS A 59 3.960 3.929 5.733 1.00 0.00 C ATOM 936 SG CYS A 59 3.148 4.148 4.109 1.00 0.00 S ATOM 0 H CYS A 59 5.976 4.216 4.182 1.00 0.00 H new ATOM 0 HA CYS A 59 5.502 2.924 6.756 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.234 3.517 6.434 1.00 0.00 H new ATOM 0 HB3 CYS A 59 4.250 4.908 6.113 1.00 0.00 H new ATOM 941 N ASN A 60 4.728 1.600 3.828 1.00 0.00 N ATOM 942 CA ASN A 60 4.427 0.353 3.147 1.00 0.00 C ATOM 943 C ASN A 60 5.695 -0.176 2.475 1.00 0.00 C ATOM 944 O ASN A 60 6.501 0.599 1.965 1.00 0.00 O ATOM 945 CB ASN A 60 3.368 0.560 2.062 1.00 0.00 C ATOM 946 CG ASN A 60 3.940 1.345 0.880 1.00 0.00 C ATOM 947 OD1 ASN A 60 3.678 2.523 0.697 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.735 0.629 0.090 1.00 0.00 N ATOM 0 H ASN A 60 4.809 2.411 3.215 1.00 0.00 H new ATOM 0 HA ASN A 60 4.052 -0.353 3.888 1.00 0.00 H new ATOM 0 HB2 ASN A 60 3.001 -0.407 1.718 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.514 1.094 2.479 1.00 0.00 H new ATOM 0 HD21 ASN A 60 5.167 1.062 -0.726 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.913 -0.353 0.300 1.00 0.00 H new TER 955 ASN A 60 HETATM 956 O HOH A 61 -0.992 -11.954 3.526 1.00 0.00 O