USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 560 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 37 ASN : amide:sc= -2.03! C(o=-4.9!,f=-12!) USER MOD Set 1.2: A 70 ASN : amide:sc= -2.87! C(o=-4.9!,f=-12!) USER MOD Set 2.1: A 62 TYR OH : rot 120:sc= 1.11 USER MOD Set 2.2: A 74 GLN : amide:sc= -4.68! C(o=-3.6!,f=-8.9!) USER MOD Set 3.1: A 34 GLN : amide:sc= -0.478 K(o=-0.48,f=-2.7!) USER MOD Set 3.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 2 GLN : amide:sc= -3.44! C(o=-5.6!,f=-5.7!) USER MOD Set 4.2: A 18 ASN : amide:sc= -2.2 K(o=-5.6,f=-2.4) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.172 X(o=-0.17,f=-0.5) USER MOD Single : A 8 ASN : amide:sc= -0.299 K(o=-0.3,f=-1.3) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.14 USER MOD Single : A 14 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.37) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.112 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0995 USER MOD Single : A 29 THR OG1 : rot -170:sc= -0.232 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -142:sc= 0.409 (180deg=0.00829) USER MOD Single : A 44 HIS : no HE2:sc= -5.47! C(o=-5.5!,f=-4.8!) USER MOD Single : A 46 ASN : amide:sc= -5.24! C(o=-5.2!,f=-6.9!) USER MOD Single : A 48 ASN : amide:sc= 0.00953 X(o=0.0095,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0222 USER MOD Single : A 52 THR OG1 : rot 106:sc= 0.43 USER MOD Single : A 57 ASN : amide:sc= -3.18! K(o=-3.2!,f=-1.8) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 0:sc= -5.16! USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.083 -12.809 -8.098 1.00 0.00 N ATOM 2 CA LEU A 1 3.212 -11.430 -8.649 1.00 0.00 C ATOM 3 C LEU A 1 3.668 -10.476 -7.543 1.00 0.00 C ATOM 4 O LEU A 1 2.959 -10.235 -6.585 1.00 0.00 O ATOM 5 CB LEU A 1 1.854 -10.973 -9.197 1.00 0.00 C ATOM 6 CG LEU A 1 1.864 -9.456 -9.409 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.000 -9.077 -10.359 1.00 0.00 C ATOM 8 CD2 LEU A 1 0.527 -9.020 -10.013 1.00 0.00 C ATOM 0 H1 LEU A 1 2.773 -13.456 -8.851 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.003 -13.123 -7.729 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.383 -12.812 -7.329 1.00 0.00 H new ATOM 0 HA LEU A 1 3.948 -11.426 -9.453 1.00 0.00 H new ATOM 0 HB2 LEU A 1 1.642 -11.480 -10.139 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.060 -11.247 -8.502 1.00 0.00 H new ATOM 0 HG LEU A 1 2.013 -8.957 -8.452 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.005 -7.997 -10.508 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.952 -9.388 -9.930 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.854 -9.575 -11.318 1.00 0.00 H new ATOM 0 HD21 LEU A 1 0.531 -7.941 -10.165 1.00 0.00 H new ATOM 0 HD22 LEU A 1 0.380 -9.521 -10.970 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -0.283 -9.288 -9.335 1.00 0.00 H new ATOM 22 N GLN A 2 4.842 -9.923 -7.673 1.00 0.00 N ATOM 23 CA GLN A 2 5.341 -8.975 -6.639 1.00 0.00 C ATOM 24 C GLN A 2 4.918 -7.559 -7.028 1.00 0.00 C ATOM 25 O GLN A 2 4.741 -7.254 -8.189 1.00 0.00 O ATOM 26 CB GLN A 2 6.868 -9.051 -6.571 1.00 0.00 C ATOM 27 CG GLN A 2 7.320 -10.504 -6.739 1.00 0.00 C ATOM 28 CD GLN A 2 6.995 -11.292 -5.469 1.00 0.00 C ATOM 29 OE1 GLN A 2 5.870 -11.703 -5.268 1.00 0.00 O ATOM 30 NE2 GLN A 2 7.940 -11.522 -4.600 1.00 0.00 N ATOM 0 H GLN A 2 5.478 -10.088 -8.453 1.00 0.00 H new ATOM 0 HA GLN A 2 4.926 -9.234 -5.665 1.00 0.00 H new ATOM 0 HB2 GLN A 2 7.308 -8.431 -7.352 1.00 0.00 H new ATOM 0 HB3 GLN A 2 7.219 -8.659 -5.617 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.820 -10.954 -7.597 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.391 -10.542 -6.939 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.884 -11.176 -4.770 1.00 0.00 H new ATOM 0 HE22 GLN A 2 7.735 -12.048 -3.750 1.00 0.00 H new ATOM 39 N CYS A 3 4.752 -6.693 -6.073 1.00 0.00 N ATOM 40 CA CYS A 3 4.341 -5.302 -6.400 1.00 0.00 C ATOM 41 C CYS A 3 4.974 -4.335 -5.398 1.00 0.00 C ATOM 42 O CYS A 3 5.352 -4.717 -4.308 1.00 0.00 O ATOM 43 CB CYS A 3 2.821 -5.191 -6.325 1.00 0.00 C ATOM 44 SG CYS A 3 2.064 -6.546 -7.259 1.00 0.00 S ATOM 0 H CYS A 3 4.883 -6.887 -5.080 1.00 0.00 H new ATOM 0 HA CYS A 3 4.674 -5.051 -7.407 1.00 0.00 H new ATOM 0 HB2 CYS A 3 2.495 -5.226 -5.286 1.00 0.00 H new ATOM 0 HB3 CYS A 3 2.496 -4.232 -6.729 1.00 0.00 H new ATOM 49 N TYR A 4 5.091 -3.086 -5.756 1.00 0.00 N ATOM 50 CA TYR A 4 5.699 -2.101 -4.819 1.00 0.00 C ATOM 51 C TYR A 4 4.707 -1.793 -3.697 1.00 0.00 C ATOM 52 O TYR A 4 3.521 -1.665 -3.923 1.00 0.00 O ATOM 53 CB TYR A 4 6.029 -0.812 -5.574 1.00 0.00 C ATOM 54 CG TYR A 4 7.181 -1.060 -6.518 1.00 0.00 C ATOM 55 CD1 TYR A 4 6.960 -1.710 -7.738 1.00 0.00 C ATOM 56 CD2 TYR A 4 8.470 -0.636 -6.174 1.00 0.00 C ATOM 57 CE1 TYR A 4 8.028 -1.936 -8.613 1.00 0.00 C ATOM 58 CE2 TYR A 4 9.538 -0.863 -7.050 1.00 0.00 C ATOM 59 CZ TYR A 4 9.317 -1.511 -8.270 1.00 0.00 C ATOM 60 OH TYR A 4 10.369 -1.734 -9.135 1.00 0.00 O ATOM 0 H TYR A 4 4.793 -2.706 -6.654 1.00 0.00 H new ATOM 0 HA TYR A 4 6.614 -2.517 -4.396 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.156 -0.471 -6.131 1.00 0.00 H new ATOM 0 HB3 TYR A 4 6.287 -0.021 -4.869 1.00 0.00 H new ATOM 0 HD1 TYR A 4 5.966 -2.037 -8.004 1.00 0.00 H new ATOM 0 HD2 TYR A 4 8.640 -0.134 -5.233 1.00 0.00 H new ATOM 0 HE1 TYR A 4 7.858 -2.439 -9.554 1.00 0.00 H new ATOM 0 HE2 TYR A 4 10.533 -0.538 -6.784 1.00 0.00 H new ATOM 0 HH TYR A 4 11.194 -1.376 -8.746 1.00 0.00 H new ATOM 70 N ASN A 5 5.181 -1.673 -2.488 1.00 0.00 N ATOM 71 CA ASN A 5 4.263 -1.374 -1.354 1.00 0.00 C ATOM 72 C ASN A 5 4.904 -0.329 -0.438 1.00 0.00 C ATOM 73 O ASN A 5 6.103 -0.310 -0.246 1.00 0.00 O ATOM 74 CB ASN A 5 3.998 -2.659 -0.564 1.00 0.00 C ATOM 75 CG ASN A 5 3.345 -2.313 0.777 1.00 0.00 C ATOM 76 OD1 ASN A 5 4.027 -2.096 1.759 1.00 0.00 O ATOM 77 ND2 ASN A 5 2.045 -2.250 0.859 1.00 0.00 N ATOM 0 H ASN A 5 6.165 -1.769 -2.236 1.00 0.00 H new ATOM 0 HA ASN A 5 3.321 -0.984 -1.740 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.348 -3.322 -1.136 1.00 0.00 H new ATOM 0 HB3 ASN A 5 4.933 -3.194 -0.397 1.00 0.00 H new ATOM 0 HD21 ASN A 5 1.601 -2.019 1.747 1.00 0.00 H new ATOM 0 HD22 ASN A 5 1.473 -2.432 0.035 1.00 0.00 H new ATOM 84 N CYS A 6 4.112 0.539 0.130 1.00 0.00 N ATOM 85 CA CYS A 6 4.676 1.581 1.033 1.00 0.00 C ATOM 86 C CYS A 6 3.614 1.997 2.058 1.00 0.00 C ATOM 87 O CYS A 6 2.433 1.938 1.783 1.00 0.00 O ATOM 88 CB CYS A 6 5.095 2.801 0.209 1.00 0.00 C ATOM 89 SG CYS A 6 6.830 3.193 0.550 1.00 0.00 S ATOM 0 H CYS A 6 3.100 0.571 0.008 1.00 0.00 H new ATOM 0 HA CYS A 6 5.546 1.179 1.552 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.959 2.600 -0.854 1.00 0.00 H new ATOM 0 HB3 CYS A 6 4.463 3.654 0.456 1.00 0.00 H new ATOM 94 N PRO A 7 4.074 2.405 3.214 1.00 0.00 N ATOM 95 CA PRO A 7 3.192 2.839 4.313 1.00 0.00 C ATOM 96 C PRO A 7 2.681 4.260 4.057 1.00 0.00 C ATOM 97 O PRO A 7 1.810 4.752 4.748 1.00 0.00 O ATOM 98 CB PRO A 7 4.105 2.800 5.542 1.00 0.00 C ATOM 99 CG PRO A 7 5.555 2.902 5.011 1.00 0.00 C ATOM 100 CD PRO A 7 5.514 2.472 3.533 1.00 0.00 C ATOM 0 HA PRO A 7 2.307 2.214 4.426 1.00 0.00 H new ATOM 0 HB2 PRO A 7 3.880 3.624 6.219 1.00 0.00 H new ATOM 0 HB3 PRO A 7 3.961 1.877 6.104 1.00 0.00 H new ATOM 0 HG2 PRO A 7 5.932 3.920 5.108 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.223 2.259 5.583 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.030 3.190 2.895 1.00 0.00 H new ATOM 0 HD3 PRO A 7 6.000 1.507 3.385 1.00 0.00 H new ATOM 108 N ASN A 8 3.215 4.922 3.068 1.00 0.00 N ATOM 109 CA ASN A 8 2.760 6.309 2.768 1.00 0.00 C ATOM 110 C ASN A 8 2.745 6.524 1.252 1.00 0.00 C ATOM 111 O ASN A 8 3.564 5.974 0.543 1.00 0.00 O ATOM 112 CB ASN A 8 3.717 7.313 3.414 1.00 0.00 C ATOM 113 CG ASN A 8 3.547 7.279 4.934 1.00 0.00 C ATOM 114 OD1 ASN A 8 2.439 7.283 5.433 1.00 0.00 O ATOM 115 ND2 ASN A 8 4.605 7.250 5.697 1.00 0.00 N ATOM 0 H ASN A 8 3.947 4.563 2.455 1.00 0.00 H new ATOM 0 HA ASN A 8 1.756 6.455 3.167 1.00 0.00 H new ATOM 0 HB2 ASN A 8 4.746 7.073 3.148 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.516 8.316 3.038 1.00 0.00 H new ATOM 0 HD21 ASN A 8 4.502 7.231 6.712 1.00 0.00 H new ATOM 0 HD22 ASN A 8 5.535 7.247 5.279 1.00 0.00 H new ATOM 122 N PRO A 9 1.813 7.326 0.803 1.00 0.00 N ATOM 123 CA PRO A 9 1.665 7.643 -0.626 1.00 0.00 C ATOM 124 C PRO A 9 2.729 8.653 -1.049 1.00 0.00 C ATOM 125 O PRO A 9 2.486 9.841 -1.124 1.00 0.00 O ATOM 126 CB PRO A 9 0.258 8.240 -0.721 1.00 0.00 C ATOM 127 CG PRO A 9 -0.096 8.746 0.699 1.00 0.00 C ATOM 128 CD PRO A 9 0.825 7.991 1.677 1.00 0.00 C ATOM 0 HA PRO A 9 1.790 6.779 -1.279 1.00 0.00 H new ATOM 0 HB2 PRO A 9 0.230 9.056 -1.443 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.460 7.492 -1.057 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.056 9.823 0.776 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -1.144 8.555 0.928 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.308 8.673 2.377 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.267 7.267 2.271 1.00 0.00 H new ATOM 136 N THR A 10 3.911 8.180 -1.319 1.00 0.00 N ATOM 137 CA THR A 10 5.012 9.097 -1.731 1.00 0.00 C ATOM 138 C THR A 10 5.415 8.805 -3.180 1.00 0.00 C ATOM 139 O THR A 10 5.077 7.778 -3.735 1.00 0.00 O ATOM 140 CB THR A 10 6.218 8.882 -0.815 1.00 0.00 C ATOM 141 OG1 THR A 10 7.284 9.721 -1.234 1.00 0.00 O ATOM 142 CG2 THR A 10 6.658 7.418 -0.885 1.00 0.00 C ATOM 0 H THR A 10 4.165 7.193 -1.272 1.00 0.00 H new ATOM 0 HA THR A 10 4.671 10.129 -1.654 1.00 0.00 H new ATOM 0 HB THR A 10 5.945 9.128 0.211 1.00 0.00 H new ATOM 0 HG1 THR A 10 8.057 9.586 -0.647 1.00 0.00 H new ATOM 0 HG21 THR A 10 7.517 7.265 -0.232 1.00 0.00 H new ATOM 0 HG22 THR A 10 5.838 6.776 -0.563 1.00 0.00 H new ATOM 0 HG23 THR A 10 6.932 7.169 -1.910 1.00 0.00 H new ATOM 150 N ALA A 11 6.141 9.701 -3.793 1.00 0.00 N ATOM 151 CA ALA A 11 6.572 9.478 -5.202 1.00 0.00 C ATOM 152 C ALA A 11 8.061 9.126 -5.225 1.00 0.00 C ATOM 153 O ALA A 11 8.827 9.666 -5.998 1.00 0.00 O ATOM 154 CB ALA A 11 6.338 10.753 -6.016 1.00 0.00 C ATOM 0 H ALA A 11 6.454 10.578 -3.378 1.00 0.00 H new ATOM 0 HA ALA A 11 5.995 8.661 -5.635 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.653 10.590 -7.047 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.278 11.008 -5.997 1.00 0.00 H new ATOM 0 HB3 ALA A 11 6.916 11.571 -5.585 1.00 0.00 H new ATOM 160 N ASP A 12 8.472 8.222 -4.382 1.00 0.00 N ATOM 161 CA ASP A 12 9.908 7.826 -4.349 1.00 0.00 C ATOM 162 C ASP A 12 10.058 6.579 -3.480 1.00 0.00 C ATOM 163 O ASP A 12 11.057 6.384 -2.818 1.00 0.00 O ATOM 164 CB ASP A 12 10.741 8.968 -3.761 1.00 0.00 C ATOM 165 CG ASP A 12 11.708 9.497 -4.824 1.00 0.00 C ATOM 166 OD1 ASP A 12 11.234 9.964 -5.847 1.00 0.00 O ATOM 167 OD2 ASP A 12 12.904 9.427 -4.597 1.00 0.00 O ATOM 0 H ASP A 12 7.874 7.738 -3.712 1.00 0.00 H new ATOM 0 HA ASP A 12 10.257 7.614 -5.360 1.00 0.00 H new ATOM 0 HB2 ASP A 12 10.087 9.770 -3.418 1.00 0.00 H new ATOM 0 HB3 ASP A 12 11.297 8.616 -2.892 1.00 0.00 H new ATOM 172 N CYS A 13 9.063 5.735 -3.476 1.00 0.00 N ATOM 173 CA CYS A 13 9.132 4.497 -2.649 1.00 0.00 C ATOM 174 C CYS A 13 9.717 3.355 -3.482 1.00 0.00 C ATOM 175 O CYS A 13 9.359 3.160 -4.627 1.00 0.00 O ATOM 176 CB CYS A 13 7.723 4.119 -2.186 1.00 0.00 C ATOM 177 SG CYS A 13 7.805 2.650 -1.132 1.00 0.00 S ATOM 0 H CYS A 13 8.203 5.850 -4.012 1.00 0.00 H new ATOM 0 HA CYS A 13 9.768 4.674 -1.782 1.00 0.00 H new ATOM 0 HB2 CYS A 13 7.275 4.948 -1.638 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.085 3.925 -3.049 1.00 0.00 H new ATOM 182 N LYS A 14 10.610 2.596 -2.912 1.00 0.00 N ATOM 183 CA LYS A 14 11.216 1.460 -3.663 1.00 0.00 C ATOM 184 C LYS A 14 11.117 0.190 -2.817 1.00 0.00 C ATOM 185 O LYS A 14 11.766 -0.800 -3.084 1.00 0.00 O ATOM 186 CB LYS A 14 12.687 1.768 -3.954 1.00 0.00 C ATOM 187 CG LYS A 14 12.924 1.749 -5.466 1.00 0.00 C ATOM 188 CD LYS A 14 13.676 3.013 -5.881 1.00 0.00 C ATOM 189 CE LYS A 14 14.669 2.677 -6.996 1.00 0.00 C ATOM 190 NZ LYS A 14 13.949 2.008 -8.117 1.00 0.00 N ATOM 0 H LYS A 14 10.948 2.713 -1.957 1.00 0.00 H new ATOM 0 HA LYS A 14 10.685 1.316 -4.604 1.00 0.00 H new ATOM 0 HB2 LYS A 14 12.953 2.743 -3.546 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.327 1.033 -3.466 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.497 0.865 -5.744 1.00 0.00 H new ATOM 0 HG3 LYS A 14 11.972 1.690 -5.993 1.00 0.00 H new ATOM 0 HD2 LYS A 14 12.972 3.771 -6.224 1.00 0.00 H new ATOM 0 HD3 LYS A 14 14.204 3.432 -5.024 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.154 3.586 -7.352 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.455 2.025 -6.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 14.522 2.068 -8.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.786 1.009 -7.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 13.036 2.480 -8.274 1.00 0.00 H new ATOM 204 N THR A 15 10.307 0.217 -1.794 1.00 0.00 N ATOM 205 CA THR A 15 10.160 -0.983 -0.922 1.00 0.00 C ATOM 206 C THR A 15 9.447 -2.093 -1.697 1.00 0.00 C ATOM 207 O THR A 15 8.238 -2.208 -1.664 1.00 0.00 O ATOM 208 CB THR A 15 9.336 -0.610 0.313 1.00 0.00 C ATOM 209 OG1 THR A 15 10.083 0.286 1.125 1.00 0.00 O ATOM 210 CG2 THR A 15 9.006 -1.872 1.111 1.00 0.00 C ATOM 0 H THR A 15 9.739 1.020 -1.524 1.00 0.00 H new ATOM 0 HA THR A 15 11.144 -1.334 -0.613 1.00 0.00 H new ATOM 0 HB THR A 15 8.409 -0.130 -0.000 1.00 0.00 H new ATOM 0 HG1 THR A 15 9.557 0.527 1.915 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.419 -1.604 1.990 1.00 0.00 H new ATOM 0 HG22 THR A 15 8.432 -2.557 0.487 1.00 0.00 H new ATOM 0 HG23 THR A 15 9.931 -2.356 1.426 1.00 0.00 H new ATOM 218 N ALA A 16 10.187 -2.910 -2.395 1.00 0.00 N ATOM 219 CA ALA A 16 9.552 -4.011 -3.172 1.00 0.00 C ATOM 220 C ALA A 16 9.042 -5.087 -2.210 1.00 0.00 C ATOM 221 O ALA A 16 9.768 -5.576 -1.367 1.00 0.00 O ATOM 222 CB ALA A 16 10.583 -4.623 -4.122 1.00 0.00 C ATOM 0 H ALA A 16 11.204 -2.863 -2.461 1.00 0.00 H new ATOM 0 HA ALA A 16 8.716 -3.614 -3.748 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.120 -5.429 -4.691 1.00 0.00 H new ATOM 0 HB2 ALA A 16 10.946 -3.857 -4.807 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.419 -5.020 -3.545 1.00 0.00 H new ATOM 228 N VAL A 17 7.798 -5.459 -2.331 1.00 0.00 N ATOM 229 CA VAL A 17 7.242 -6.502 -1.425 1.00 0.00 C ATOM 230 C VAL A 17 6.260 -7.380 -2.199 1.00 0.00 C ATOM 231 O VAL A 17 5.731 -6.992 -3.221 1.00 0.00 O ATOM 232 CB VAL A 17 6.516 -5.830 -0.257 1.00 0.00 C ATOM 233 CG1 VAL A 17 5.684 -6.871 0.496 1.00 0.00 C ATOM 234 CG2 VAL A 17 7.546 -5.218 0.695 1.00 0.00 C ATOM 0 H VAL A 17 7.143 -5.086 -3.018 1.00 0.00 H new ATOM 0 HA VAL A 17 8.054 -7.119 -1.041 1.00 0.00 H new ATOM 0 HB VAL A 17 5.859 -5.048 -0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.167 -6.392 1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.952 -7.311 -0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.340 -7.653 0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.032 -4.739 1.528 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.201 -6.002 1.076 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.140 -4.477 0.160 1.00 0.00 H new ATOM 244 N ASN A 18 6.011 -8.560 -1.711 1.00 0.00 N ATOM 245 CA ASN A 18 5.058 -9.473 -2.408 1.00 0.00 C ATOM 246 C ASN A 18 3.661 -9.272 -1.819 1.00 0.00 C ATOM 247 O ASN A 18 3.465 -9.350 -0.624 1.00 0.00 O ATOM 248 CB ASN A 18 5.476 -10.945 -2.233 1.00 0.00 C ATOM 249 CG ASN A 18 6.730 -11.056 -1.359 1.00 0.00 C ATOM 250 OD1 ASN A 18 6.677 -11.523 -0.239 1.00 0.00 O ATOM 251 ND2 ASN A 18 7.856 -10.631 -1.863 1.00 0.00 N ATOM 0 H ASN A 18 6.425 -8.935 -0.858 1.00 0.00 H new ATOM 0 HA ASN A 18 5.062 -9.239 -3.473 1.00 0.00 H new ATOM 0 HB2 ASN A 18 4.660 -11.508 -1.779 1.00 0.00 H new ATOM 0 HB3 ASN A 18 5.667 -11.392 -3.209 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.714 -10.688 -1.314 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.878 -10.242 -2.806 1.00 0.00 H new ATOM 257 N CYS A 19 2.689 -9.010 -2.649 1.00 0.00 N ATOM 258 CA CYS A 19 1.308 -8.800 -2.133 1.00 0.00 C ATOM 259 C CYS A 19 0.832 -10.063 -1.415 1.00 0.00 C ATOM 260 O CYS A 19 1.454 -11.104 -1.491 1.00 0.00 O ATOM 261 CB CYS A 19 0.368 -8.492 -3.299 1.00 0.00 C ATOM 262 SG CYS A 19 1.105 -7.214 -4.344 1.00 0.00 S ATOM 0 H CYS A 19 2.792 -8.932 -3.661 1.00 0.00 H new ATOM 0 HA CYS A 19 1.307 -7.963 -1.434 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.187 -9.395 -3.883 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.598 -8.157 -2.923 1.00 0.00 H new ATOM 267 N SER A 20 -0.267 -9.979 -0.718 1.00 0.00 N ATOM 268 CA SER A 20 -0.784 -11.174 0.007 1.00 0.00 C ATOM 269 C SER A 20 -1.366 -12.169 -1.000 1.00 0.00 C ATOM 270 O SER A 20 -1.041 -12.143 -2.170 1.00 0.00 O ATOM 271 CB SER A 20 -1.876 -10.742 0.985 1.00 0.00 C ATOM 272 OG SER A 20 -1.717 -9.362 1.287 1.00 0.00 O ATOM 0 H SER A 20 -0.830 -9.134 -0.619 1.00 0.00 H new ATOM 0 HA SER A 20 0.030 -11.647 0.556 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.860 -10.920 0.551 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.818 -11.335 1.898 1.00 0.00 H new ATOM 0 HG SER A 20 -2.417 -9.081 1.913 1.00 0.00 H new ATOM 278 N SER A 21 -2.223 -13.047 -0.553 1.00 0.00 N ATOM 279 CA SER A 21 -2.823 -14.044 -1.486 1.00 0.00 C ATOM 280 C SER A 21 -4.049 -13.434 -2.171 1.00 0.00 C ATOM 281 O SER A 21 -4.520 -13.928 -3.176 1.00 0.00 O ATOM 282 CB SER A 21 -3.245 -15.285 -0.700 1.00 0.00 C ATOM 283 OG SER A 21 -2.988 -15.076 0.682 1.00 0.00 O ATOM 0 H SER A 21 -2.533 -13.117 0.416 1.00 0.00 H new ATOM 0 HA SER A 21 -2.088 -14.322 -2.241 1.00 0.00 H new ATOM 0 HB2 SER A 21 -4.304 -15.487 -0.858 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.698 -16.158 -1.055 1.00 0.00 H new ATOM 0 HG SER A 21 -3.259 -15.870 1.189 1.00 0.00 H new ATOM 289 N ASP A 22 -4.570 -12.364 -1.635 1.00 0.00 N ATOM 290 CA ASP A 22 -5.765 -11.725 -2.257 1.00 0.00 C ATOM 291 C ASP A 22 -5.316 -10.562 -3.144 1.00 0.00 C ATOM 292 O ASP A 22 -5.722 -9.432 -2.957 1.00 0.00 O ATOM 293 CB ASP A 22 -6.691 -11.199 -1.158 1.00 0.00 C ATOM 294 CG ASP A 22 -5.995 -10.068 -0.400 1.00 0.00 C ATOM 295 OD1 ASP A 22 -4.993 -10.339 0.239 1.00 0.00 O ATOM 296 OD2 ASP A 22 -6.475 -8.948 -0.473 1.00 0.00 O ATOM 0 H ASP A 22 -4.220 -11.905 -0.794 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.298 -12.459 -2.861 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -7.622 -10.839 -1.595 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -6.951 -12.004 -0.471 1.00 0.00 H new ATOM 301 N PHE A 23 -4.481 -10.830 -4.110 1.00 0.00 N ATOM 302 CA PHE A 23 -4.007 -9.739 -5.009 1.00 0.00 C ATOM 303 C PHE A 23 -3.477 -10.345 -6.309 1.00 0.00 C ATOM 304 O PHE A 23 -2.820 -11.366 -6.307 1.00 0.00 O ATOM 305 CB PHE A 23 -2.884 -8.963 -4.319 1.00 0.00 C ATOM 306 CG PHE A 23 -3.442 -8.207 -3.137 1.00 0.00 C ATOM 307 CD1 PHE A 23 -4.281 -7.106 -3.343 1.00 0.00 C ATOM 308 CD2 PHE A 23 -3.119 -8.608 -1.836 1.00 0.00 C ATOM 309 CE1 PHE A 23 -4.797 -6.405 -2.247 1.00 0.00 C ATOM 310 CE2 PHE A 23 -3.634 -7.907 -0.738 1.00 0.00 C ATOM 311 CZ PHE A 23 -4.473 -6.805 -0.944 1.00 0.00 C ATOM 0 H PHE A 23 -4.107 -11.756 -4.316 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.835 -9.065 -5.230 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.104 -9.649 -3.989 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.422 -8.270 -5.022 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.530 -6.797 -4.347 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.472 -9.458 -1.678 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.445 -5.556 -2.406 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.384 -8.216 0.266 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.870 -6.263 -0.098 1.00 0.00 H new ATOM 321 N ASP A 24 -3.756 -9.723 -7.422 1.00 0.00 N ATOM 322 CA ASP A 24 -3.265 -10.267 -8.720 1.00 0.00 C ATOM 323 C ASP A 24 -2.973 -9.117 -9.687 1.00 0.00 C ATOM 324 O ASP A 24 -2.786 -9.324 -10.869 1.00 0.00 O ATOM 325 CB ASP A 24 -4.334 -11.177 -9.326 1.00 0.00 C ATOM 326 CG ASP A 24 -3.682 -12.135 -10.324 1.00 0.00 C ATOM 327 OD1 ASP A 24 -2.479 -12.320 -10.238 1.00 0.00 O ATOM 328 OD2 ASP A 24 -4.396 -12.668 -11.157 1.00 0.00 O ATOM 0 H ASP A 24 -4.301 -8.864 -7.489 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.351 -10.836 -8.548 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.836 -11.740 -8.539 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.096 -10.578 -9.825 1.00 0.00 H new ATOM 333 N ALA A 25 -2.934 -7.906 -9.201 1.00 0.00 N ATOM 334 CA ALA A 25 -2.657 -6.758 -10.108 1.00 0.00 C ATOM 335 C ALA A 25 -1.988 -5.627 -9.327 1.00 0.00 C ATOM 336 O ALA A 25 -2.625 -4.932 -8.561 1.00 0.00 O ATOM 337 CB ALA A 25 -3.973 -6.250 -10.702 1.00 0.00 C ATOM 0 H ALA A 25 -3.081 -7.664 -8.221 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.993 -7.087 -10.907 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -3.772 -5.410 -11.366 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.451 -7.051 -11.265 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.634 -5.927 -9.898 1.00 0.00 H new ATOM 343 N CYS A 26 -0.712 -5.419 -9.521 1.00 0.00 N ATOM 344 CA CYS A 26 -0.036 -4.313 -8.788 1.00 0.00 C ATOM 345 C CYS A 26 -0.705 -3.004 -9.191 1.00 0.00 C ATOM 346 O CYS A 26 -0.943 -2.752 -10.355 1.00 0.00 O ATOM 347 CB CYS A 26 1.449 -4.265 -9.158 1.00 0.00 C ATOM 348 SG CYS A 26 2.128 -5.942 -9.186 1.00 0.00 S ATOM 0 H CYS A 26 -0.116 -5.961 -10.148 1.00 0.00 H new ATOM 0 HA CYS A 26 -0.119 -4.472 -7.713 1.00 0.00 H new ATOM 0 HB2 CYS A 26 1.575 -3.795 -10.134 1.00 0.00 H new ATOM 0 HB3 CYS A 26 1.993 -3.654 -8.438 1.00 0.00 H new ATOM 353 N LEU A 27 -1.037 -2.175 -8.248 1.00 0.00 N ATOM 354 CA LEU A 27 -1.717 -0.904 -8.603 1.00 0.00 C ATOM 355 C LEU A 27 -0.781 0.285 -8.409 1.00 0.00 C ATOM 356 O LEU A 27 -0.193 0.470 -7.362 1.00 0.00 O ATOM 357 CB LEU A 27 -2.953 -0.743 -7.722 1.00 0.00 C ATOM 358 CG LEU A 27 -3.567 0.640 -7.925 1.00 0.00 C ATOM 359 CD1 LEU A 27 -4.800 0.511 -8.820 1.00 0.00 C ATOM 360 CD2 LEU A 27 -3.975 1.214 -6.564 1.00 0.00 C ATOM 0 H LEU A 27 -0.869 -2.320 -7.253 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.008 -0.936 -9.653 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.685 -1.513 -7.965 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.683 -0.879 -6.675 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.843 1.305 -8.396 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.245 1.495 -8.970 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.508 0.094 -9.784 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.527 -0.147 -8.345 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.414 2.202 -6.703 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.705 0.555 -6.095 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.096 1.294 -5.925 1.00 0.00 H new ATOM 372 N ILE A 28 -0.664 1.105 -9.416 1.00 0.00 N ATOM 373 CA ILE A 28 0.205 2.307 -9.314 1.00 0.00 C ATOM 374 C ILE A 28 -0.665 3.538 -9.578 1.00 0.00 C ATOM 375 O ILE A 28 -0.808 3.984 -10.699 1.00 0.00 O ATOM 376 CB ILE A 28 1.322 2.221 -10.356 1.00 0.00 C ATOM 377 CG1 ILE A 28 1.962 3.600 -10.544 1.00 0.00 C ATOM 378 CG2 ILE A 28 0.738 1.747 -11.686 1.00 0.00 C ATOM 379 CD1 ILE A 28 3.485 3.466 -10.503 1.00 0.00 C ATOM 0 H ILE A 28 -1.138 0.992 -10.312 1.00 0.00 H new ATOM 0 HA ILE A 28 0.659 2.372 -8.325 1.00 0.00 H new ATOM 0 HB ILE A 28 2.080 1.516 -10.015 1.00 0.00 H new ATOM 0 HG12 ILE A 28 1.650 4.031 -11.495 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.625 4.279 -9.761 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.532 1.685 -12.430 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.286 0.764 -11.555 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -0.021 2.454 -12.023 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.940 4.447 -10.637 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.788 3.053 -9.541 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.813 2.802 -11.302 1.00 0.00 H new ATOM 391 N THR A 29 -1.268 4.071 -8.553 1.00 0.00 N ATOM 392 CA THR A 29 -2.155 5.253 -8.737 1.00 0.00 C ATOM 393 C THR A 29 -1.356 6.548 -8.576 1.00 0.00 C ATOM 394 O THR A 29 -0.310 6.581 -7.961 1.00 0.00 O ATOM 395 CB THR A 29 -3.273 5.201 -7.692 1.00 0.00 C ATOM 396 OG1 THR A 29 -4.213 4.203 -8.060 1.00 0.00 O ATOM 397 CG2 THR A 29 -3.974 6.557 -7.609 1.00 0.00 C ATOM 0 H THR A 29 -1.185 3.738 -7.593 1.00 0.00 H new ATOM 0 HA THR A 29 -2.582 5.232 -9.740 1.00 0.00 H new ATOM 0 HB THR A 29 -2.845 4.962 -6.719 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.005 4.272 -7.487 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.768 6.511 -6.863 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.252 7.323 -7.324 1.00 0.00 H new ATOM 0 HG23 THR A 29 -4.402 6.805 -8.580 1.00 0.00 H new ATOM 405 N LYS A 30 -1.859 7.618 -9.130 1.00 0.00 N ATOM 406 CA LYS A 30 -1.157 8.928 -9.024 1.00 0.00 C ATOM 407 C LYS A 30 -2.186 10.054 -9.150 1.00 0.00 C ATOM 408 O LYS A 30 -2.631 10.382 -10.232 1.00 0.00 O ATOM 409 CB LYS A 30 -0.127 9.048 -10.149 1.00 0.00 C ATOM 410 CG LYS A 30 1.095 8.190 -9.818 1.00 0.00 C ATOM 411 CD LYS A 30 2.311 8.721 -10.580 1.00 0.00 C ATOM 412 CE LYS A 30 2.741 10.061 -9.981 1.00 0.00 C ATOM 413 NZ LYS A 30 3.318 10.922 -11.052 1.00 0.00 N ATOM 0 H LYS A 30 -2.733 7.640 -9.655 1.00 0.00 H new ATOM 0 HA LYS A 30 -0.648 8.998 -8.063 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.566 8.726 -11.093 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.170 10.089 -10.274 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.287 8.210 -8.745 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.908 7.151 -10.089 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.131 8.005 -10.523 1.00 0.00 H new ATOM 0 HD3 LYS A 30 2.068 8.843 -11.635 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.886 10.557 -9.522 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.477 9.900 -9.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.610 11.833 -10.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 4.144 10.449 -11.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.603 11.086 -11.789 1.00 0.00 H new ATOM 427 N ALA A 31 -2.576 10.641 -8.051 1.00 0.00 N ATOM 428 CA ALA A 31 -3.585 11.738 -8.109 1.00 0.00 C ATOM 429 C ALA A 31 -2.881 13.086 -8.285 1.00 0.00 C ATOM 430 O ALA A 31 -3.246 14.070 -7.672 1.00 0.00 O ATOM 431 CB ALA A 31 -4.393 11.753 -6.810 1.00 0.00 C ATOM 0 H ALA A 31 -2.240 10.409 -7.116 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.251 11.568 -8.955 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.131 12.554 -6.850 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.901 10.797 -6.687 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.723 11.919 -5.967 1.00 0.00 H new ATOM 437 N GLY A 32 -1.877 13.140 -9.118 1.00 0.00 N ATOM 438 CA GLY A 32 -1.153 14.426 -9.336 1.00 0.00 C ATOM 439 C GLY A 32 -0.932 15.129 -7.994 1.00 0.00 C ATOM 440 O GLY A 32 -1.236 16.293 -7.835 1.00 0.00 O ATOM 0 H GLY A 32 -1.526 12.349 -9.658 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.195 14.237 -9.820 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.727 15.069 -10.004 1.00 0.00 H new ATOM 444 N LEU A 33 -0.404 14.428 -7.029 1.00 0.00 N ATOM 445 CA LEU A 33 -0.162 15.054 -5.698 1.00 0.00 C ATOM 446 C LEU A 33 0.448 14.018 -4.755 1.00 0.00 C ATOM 447 O LEU A 33 1.391 14.293 -4.038 1.00 0.00 O ATOM 448 CB LEU A 33 -1.489 15.552 -5.120 1.00 0.00 C ATOM 449 CG LEU A 33 -1.250 16.832 -4.320 1.00 0.00 C ATOM 450 CD1 LEU A 33 -0.973 17.991 -5.278 1.00 0.00 C ATOM 451 CD2 LEU A 33 -2.492 17.150 -3.484 1.00 0.00 C ATOM 0 H LEU A 33 -0.129 13.449 -7.104 1.00 0.00 H new ATOM 0 HA LEU A 33 0.523 15.894 -5.809 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.200 15.741 -5.924 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.928 14.787 -4.480 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.392 16.692 -3.662 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.803 18.903 -4.706 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -0.089 17.767 -5.875 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -1.830 18.131 -5.937 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.322 18.063 -2.913 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.349 17.288 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.691 16.325 -2.799 1.00 0.00 H new ATOM 463 N GLN A 34 -0.080 12.824 -4.751 1.00 0.00 N ATOM 464 CA GLN A 34 0.469 11.768 -3.856 1.00 0.00 C ATOM 465 C GLN A 34 0.344 10.407 -4.542 1.00 0.00 C ATOM 466 O GLN A 34 -0.736 9.972 -4.889 1.00 0.00 O ATOM 467 CB GLN A 34 -0.315 11.756 -2.542 1.00 0.00 C ATOM 468 CG GLN A 34 -0.011 13.031 -1.756 1.00 0.00 C ATOM 469 CD GLN A 34 -0.297 12.797 -0.271 1.00 0.00 C ATOM 470 OE1 GLN A 34 -0.944 11.834 0.090 1.00 0.00 O ATOM 471 NE2 GLN A 34 0.161 13.642 0.610 1.00 0.00 N ATOM 0 H GLN A 34 -0.869 12.535 -5.330 1.00 0.00 H new ATOM 0 HA GLN A 34 1.519 11.974 -3.648 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.384 11.687 -2.744 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.045 10.880 -1.953 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.032 13.317 -1.896 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.620 13.854 -2.129 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.704 14.450 0.307 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.024 13.495 1.602 1.00 0.00 H new ATOM 480 N VAL A 35 1.442 9.730 -4.742 1.00 0.00 N ATOM 481 CA VAL A 35 1.386 8.398 -5.408 1.00 0.00 C ATOM 482 C VAL A 35 0.885 7.349 -4.414 1.00 0.00 C ATOM 483 O VAL A 35 1.148 7.426 -3.229 1.00 0.00 O ATOM 484 CB VAL A 35 2.784 8.014 -5.896 1.00 0.00 C ATOM 485 CG1 VAL A 35 2.723 6.661 -6.607 1.00 0.00 C ATOM 486 CG2 VAL A 35 3.293 9.078 -6.869 1.00 0.00 C ATOM 0 H VAL A 35 2.375 10.042 -4.473 1.00 0.00 H new ATOM 0 HA VAL A 35 0.705 8.445 -6.257 1.00 0.00 H new ATOM 0 HB VAL A 35 3.460 7.946 -5.044 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.719 6.387 -6.955 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.359 5.902 -5.914 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.047 6.728 -7.459 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.289 8.806 -7.218 1.00 0.00 H new ATOM 0 HG22 VAL A 35 2.616 9.146 -7.721 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.337 10.043 -6.363 1.00 0.00 H new ATOM 496 N TYR A 36 0.162 6.370 -4.884 1.00 0.00 N ATOM 497 CA TYR A 36 -0.359 5.319 -3.964 1.00 0.00 C ATOM 498 C TYR A 36 0.148 3.947 -4.409 1.00 0.00 C ATOM 499 O TYR A 36 -0.521 3.227 -5.123 1.00 0.00 O ATOM 500 CB TYR A 36 -1.888 5.334 -3.991 1.00 0.00 C ATOM 501 CG TYR A 36 -2.391 6.582 -3.305 1.00 0.00 C ATOM 502 CD1 TYR A 36 -2.469 7.786 -4.016 1.00 0.00 C ATOM 503 CD2 TYR A 36 -2.781 6.534 -1.963 1.00 0.00 C ATOM 504 CE1 TYR A 36 -2.936 8.942 -3.382 1.00 0.00 C ATOM 505 CE2 TYR A 36 -3.248 7.692 -1.328 1.00 0.00 C ATOM 506 CZ TYR A 36 -3.326 8.896 -2.038 1.00 0.00 C ATOM 507 OH TYR A 36 -3.786 10.038 -1.412 1.00 0.00 O ATOM 0 H TYR A 36 -0.091 6.252 -5.865 1.00 0.00 H new ATOM 0 HA TYR A 36 -0.010 5.519 -2.951 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.245 5.303 -5.021 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.280 4.448 -3.491 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.169 7.822 -5.053 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.722 5.604 -1.416 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -2.996 9.871 -3.930 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.548 7.656 -0.291 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.015 9.831 -0.482 1.00 0.00 H new ATOM 517 N ASN A 37 1.326 3.578 -3.986 1.00 0.00 N ATOM 518 CA ASN A 37 1.878 2.249 -4.378 1.00 0.00 C ATOM 519 C ASN A 37 1.250 1.166 -3.499 1.00 0.00 C ATOM 520 O ASN A 37 1.712 0.893 -2.409 1.00 0.00 O ATOM 521 CB ASN A 37 3.397 2.250 -4.186 1.00 0.00 C ATOM 522 CG ASN A 37 4.081 1.914 -5.513 1.00 0.00 C ATOM 523 OD1 ASN A 37 3.642 1.037 -6.231 1.00 0.00 O ATOM 524 ND2 ASN A 37 5.147 2.577 -5.871 1.00 0.00 N ATOM 0 H ASN A 37 1.931 4.139 -3.386 1.00 0.00 H new ATOM 0 HA ASN A 37 1.648 2.049 -5.425 1.00 0.00 H new ATOM 0 HB2 ASN A 37 3.728 3.226 -3.831 1.00 0.00 H new ATOM 0 HB3 ASN A 37 3.678 1.522 -3.425 1.00 0.00 H new ATOM 0 HD21 ASN A 37 5.611 2.359 -6.753 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.516 3.313 -5.269 1.00 0.00 H new ATOM 531 N LYS A 38 0.196 0.550 -3.960 1.00 0.00 N ATOM 532 CA LYS A 38 -0.462 -0.510 -3.145 1.00 0.00 C ATOM 533 C LYS A 38 -0.895 -1.667 -4.047 1.00 0.00 C ATOM 534 O LYS A 38 -1.139 -1.495 -5.225 1.00 0.00 O ATOM 535 CB LYS A 38 -1.694 0.078 -2.451 1.00 0.00 C ATOM 536 CG LYS A 38 -1.256 1.156 -1.458 1.00 0.00 C ATOM 537 CD LYS A 38 -2.180 2.370 -1.581 1.00 0.00 C ATOM 538 CE LYS A 38 -2.743 2.727 -0.203 1.00 0.00 C ATOM 539 NZ LYS A 38 -1.756 3.566 0.535 1.00 0.00 N ATOM 0 H LYS A 38 -0.237 0.735 -4.865 1.00 0.00 H new ATOM 0 HA LYS A 38 0.242 -0.880 -2.400 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.372 0.504 -3.190 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.242 -0.708 -1.932 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.287 0.763 -0.442 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.225 1.449 -1.655 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.631 3.217 -1.992 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.994 2.152 -2.272 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.685 3.265 -0.311 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.958 1.819 0.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.138 3.809 1.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.868 3.037 0.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.572 4.438 -0.001 1.00 0.00 H new ATOM 553 N CYS A 39 -1.002 -2.844 -3.496 1.00 0.00 N ATOM 554 CA CYS A 39 -1.431 -4.016 -4.310 1.00 0.00 C ATOM 555 C CYS A 39 -2.936 -3.926 -4.546 1.00 0.00 C ATOM 556 O CYS A 39 -3.679 -3.485 -3.691 1.00 0.00 O ATOM 557 CB CYS A 39 -1.110 -5.310 -3.558 1.00 0.00 C ATOM 558 SG CYS A 39 0.683 -5.484 -3.389 1.00 0.00 S ATOM 0 H CYS A 39 -0.810 -3.045 -2.515 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.903 -4.016 -5.264 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.579 -5.297 -2.574 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -1.520 -6.166 -4.095 1.00 0.00 H new ATOM 563 N TRP A 40 -3.398 -4.318 -5.699 1.00 0.00 N ATOM 564 CA TRP A 40 -4.854 -4.227 -5.969 1.00 0.00 C ATOM 565 C TRP A 40 -5.327 -5.464 -6.737 1.00 0.00 C ATOM 566 O TRP A 40 -4.550 -6.153 -7.372 1.00 0.00 O ATOM 567 CB TRP A 40 -5.110 -2.969 -6.792 1.00 0.00 C ATOM 568 CG TRP A 40 -6.483 -2.468 -6.520 1.00 0.00 C ATOM 569 CD1 TRP A 40 -7.607 -2.969 -7.064 1.00 0.00 C ATOM 570 CD2 TRP A 40 -6.891 -1.377 -5.648 1.00 0.00 C ATOM 571 NE1 TRP A 40 -8.692 -2.255 -6.581 1.00 0.00 N ATOM 572 CE2 TRP A 40 -8.299 -1.262 -5.704 1.00 0.00 C ATOM 573 CE3 TRP A 40 -6.181 -0.488 -4.823 1.00 0.00 C ATOM 574 CZ2 TRP A 40 -8.980 -0.293 -4.965 1.00 0.00 C ATOM 575 CZ3 TRP A 40 -6.862 0.487 -4.079 1.00 0.00 C ATOM 576 CH2 TRP A 40 -8.258 0.585 -4.149 1.00 0.00 C ATOM 0 H TRP A 40 -2.833 -4.695 -6.460 1.00 0.00 H new ATOM 0 HA TRP A 40 -5.405 -4.178 -5.030 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.376 -2.203 -6.542 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -4.995 -3.187 -7.854 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.656 -3.792 -7.762 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -9.661 -2.440 -6.841 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -5.105 -0.556 -4.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -10.056 -0.222 -5.023 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.307 1.166 -3.449 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -8.776 1.338 -3.574 1.00 0.00 H new ATOM 587 N LYS A 41 -6.599 -5.750 -6.676 1.00 0.00 N ATOM 588 CA LYS A 41 -7.137 -6.941 -7.392 1.00 0.00 C ATOM 589 C LYS A 41 -7.356 -6.599 -8.867 1.00 0.00 C ATOM 590 O LYS A 41 -7.483 -5.448 -9.235 1.00 0.00 O ATOM 591 CB LYS A 41 -8.472 -7.350 -6.764 1.00 0.00 C ATOM 592 CG LYS A 41 -8.283 -7.584 -5.264 1.00 0.00 C ATOM 593 CD LYS A 41 -9.514 -8.299 -4.702 1.00 0.00 C ATOM 594 CE LYS A 41 -9.109 -9.677 -4.175 1.00 0.00 C ATOM 595 NZ LYS A 41 -9.775 -10.735 -4.986 1.00 0.00 N ATOM 0 H LYS A 41 -7.291 -5.208 -6.159 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.426 -7.763 -7.312 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.217 -6.572 -6.930 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -8.847 -8.257 -7.239 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.389 -8.182 -5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.136 -6.633 -4.752 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -9.957 -7.707 -3.901 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -10.273 -8.403 -5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -8.026 -9.793 -4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.392 -9.775 -3.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.062 -11.519 -4.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.615 -10.338 -5.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.114 -11.088 -5.707 1.00 0.00 H new ATOM 609 N PHE A 42 -7.414 -7.590 -9.712 1.00 0.00 N ATOM 610 CA PHE A 42 -7.638 -7.321 -11.158 1.00 0.00 C ATOM 611 C PHE A 42 -9.130 -7.096 -11.387 1.00 0.00 C ATOM 612 O PHE A 42 -9.530 -6.285 -12.199 1.00 0.00 O ATOM 613 CB PHE A 42 -7.166 -8.519 -11.985 1.00 0.00 C ATOM 614 CG PHE A 42 -6.880 -8.072 -13.399 1.00 0.00 C ATOM 615 CD1 PHE A 42 -7.938 -7.850 -14.289 1.00 0.00 C ATOM 616 CD2 PHE A 42 -5.558 -7.878 -13.819 1.00 0.00 C ATOM 617 CE1 PHE A 42 -7.673 -7.435 -15.601 1.00 0.00 C ATOM 618 CE2 PHE A 42 -5.295 -7.463 -15.130 1.00 0.00 C ATOM 619 CZ PHE A 42 -6.352 -7.241 -16.020 1.00 0.00 C ATOM 0 H PHE A 42 -7.316 -8.574 -9.463 1.00 0.00 H new ATOM 0 HA PHE A 42 -7.077 -6.438 -11.463 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -6.270 -8.951 -11.540 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.929 -9.298 -11.985 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -8.957 -7.998 -13.965 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -4.742 -8.048 -13.132 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -8.488 -7.265 -16.289 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -4.276 -7.314 -15.455 1.00 0.00 H new ATOM 0 HZ PHE A 42 -6.148 -6.920 -17.031 1.00 0.00 H new ATOM 629 N GLU A 43 -9.957 -7.808 -10.672 1.00 0.00 N ATOM 630 CA GLU A 43 -11.424 -7.634 -10.844 1.00 0.00 C ATOM 631 C GLU A 43 -11.819 -6.230 -10.387 1.00 0.00 C ATOM 632 O GLU A 43 -12.741 -5.632 -10.905 1.00 0.00 O ATOM 633 CB GLU A 43 -12.170 -8.675 -10.006 1.00 0.00 C ATOM 634 CG GLU A 43 -11.471 -8.845 -8.656 1.00 0.00 C ATOM 635 CD GLU A 43 -12.465 -9.394 -7.632 1.00 0.00 C ATOM 636 OE1 GLU A 43 -13.555 -9.766 -8.034 1.00 0.00 O ATOM 637 OE2 GLU A 43 -12.120 -9.435 -6.462 1.00 0.00 O ATOM 0 H GLU A 43 -9.679 -8.501 -9.977 1.00 0.00 H new ATOM 0 HA GLU A 43 -11.686 -7.766 -11.894 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.203 -8.362 -9.855 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.200 -9.628 -10.534 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.624 -9.524 -8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.075 -7.888 -8.317 1.00 0.00 H new ATOM 644 N HIS A 44 -11.123 -5.698 -9.419 1.00 0.00 N ATOM 645 CA HIS A 44 -11.449 -4.332 -8.928 1.00 0.00 C ATOM 646 C HIS A 44 -10.593 -3.310 -9.677 1.00 0.00 C ATOM 647 O HIS A 44 -10.424 -2.187 -9.245 1.00 0.00 O ATOM 648 CB HIS A 44 -11.158 -4.246 -7.427 1.00 0.00 C ATOM 649 CG HIS A 44 -11.955 -5.298 -6.706 1.00 0.00 C ATOM 650 ND1 HIS A 44 -12.038 -5.347 -5.323 1.00 0.00 N ATOM 651 CD2 HIS A 44 -12.713 -6.348 -7.165 1.00 0.00 C ATOM 652 CE1 HIS A 44 -12.820 -6.393 -5.001 1.00 0.00 C ATOM 653 NE2 HIS A 44 -13.258 -7.038 -6.085 1.00 0.00 N ATOM 0 H HIS A 44 -10.341 -6.153 -8.947 1.00 0.00 H new ATOM 0 HA HIS A 44 -12.504 -4.121 -9.103 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.093 -4.390 -7.242 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -11.416 -3.256 -7.051 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -11.588 -4.707 -4.669 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -12.863 -6.600 -8.204 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -13.064 -6.677 -3.988 1.00 0.00 H new ATOM 661 N CYS A 45 -10.050 -3.695 -10.799 1.00 0.00 N ATOM 662 CA CYS A 45 -9.203 -2.752 -11.581 1.00 0.00 C ATOM 663 C CYS A 45 -10.061 -2.031 -12.623 1.00 0.00 C ATOM 664 O CYS A 45 -9.932 -2.257 -13.810 1.00 0.00 O ATOM 665 CB CYS A 45 -8.098 -3.534 -12.289 1.00 0.00 C ATOM 666 SG CYS A 45 -7.080 -2.393 -13.254 1.00 0.00 S ATOM 0 H CYS A 45 -10.157 -4.623 -11.208 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.761 -2.018 -10.907 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.483 -4.059 -11.558 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.533 -4.291 -12.941 1.00 0.00 H new ATOM 671 N ASN A 46 -10.935 -1.163 -12.192 1.00 0.00 N ATOM 672 CA ASN A 46 -11.797 -0.430 -13.163 1.00 0.00 C ATOM 673 C ASN A 46 -11.925 1.031 -12.728 1.00 0.00 C ATOM 674 O ASN A 46 -11.389 1.437 -11.716 1.00 0.00 O ATOM 675 CB ASN A 46 -13.184 -1.076 -13.209 1.00 0.00 C ATOM 676 CG ASN A 46 -13.548 -1.609 -11.821 1.00 0.00 C ATOM 677 OD1 ASN A 46 -14.355 -1.024 -11.126 1.00 0.00 O ATOM 678 ND2 ASN A 46 -12.985 -2.702 -11.387 1.00 0.00 N ATOM 0 H ASN A 46 -11.090 -0.930 -11.211 1.00 0.00 H new ATOM 0 HA ASN A 46 -11.346 -0.475 -14.154 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -13.925 -0.347 -13.536 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -13.194 -1.888 -13.936 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -13.222 -3.066 -10.464 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -12.308 -3.193 -11.970 1.00 0.00 H new ATOM 685 N PHE A 47 -12.627 1.827 -13.487 1.00 0.00 N ATOM 686 CA PHE A 47 -12.787 3.263 -13.118 1.00 0.00 C ATOM 687 C PHE A 47 -13.961 3.414 -12.148 1.00 0.00 C ATOM 688 O PHE A 47 -14.862 4.198 -12.366 1.00 0.00 O ATOM 689 CB PHE A 47 -13.061 4.087 -14.378 1.00 0.00 C ATOM 690 CG PHE A 47 -12.566 5.498 -14.175 1.00 0.00 C ATOM 691 CD1 PHE A 47 -11.223 5.809 -14.417 1.00 0.00 C ATOM 692 CD2 PHE A 47 -13.449 6.494 -13.745 1.00 0.00 C ATOM 693 CE1 PHE A 47 -10.764 7.118 -14.229 1.00 0.00 C ATOM 694 CE2 PHE A 47 -12.990 7.802 -13.556 1.00 0.00 C ATOM 695 CZ PHE A 47 -11.647 8.115 -13.797 1.00 0.00 C ATOM 0 H PHE A 47 -13.097 1.545 -14.347 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.873 3.618 -12.642 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -12.563 3.636 -15.236 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -14.129 4.093 -14.596 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.541 5.040 -14.749 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -14.485 6.253 -13.559 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.728 7.359 -14.417 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -13.672 8.571 -13.224 1.00 0.00 H new ATOM 0 HZ PHE A 47 -11.292 9.124 -13.650 1.00 0.00 H new ATOM 705 N ASN A 48 -13.956 2.667 -11.078 1.00 0.00 N ATOM 706 CA ASN A 48 -15.069 2.764 -10.094 1.00 0.00 C ATOM 707 C ASN A 48 -14.702 1.971 -8.840 1.00 0.00 C ATOM 708 O ASN A 48 -15.027 2.355 -7.734 1.00 0.00 O ATOM 709 CB ASN A 48 -16.344 2.185 -10.713 1.00 0.00 C ATOM 710 CG ASN A 48 -17.552 3.008 -10.260 1.00 0.00 C ATOM 711 OD1 ASN A 48 -18.224 3.617 -11.069 1.00 0.00 O ATOM 712 ND2 ASN A 48 -17.856 3.054 -8.992 1.00 0.00 N ATOM 0 H ASN A 48 -13.227 1.993 -10.843 1.00 0.00 H new ATOM 0 HA ASN A 48 -15.237 3.808 -9.828 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.270 2.196 -11.800 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.466 1.144 -10.413 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -18.658 3.601 -8.679 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.292 2.543 -8.313 1.00 0.00 H new ATOM 719 N ASP A 49 -14.027 0.867 -9.003 1.00 0.00 N ATOM 720 CA ASP A 49 -13.637 0.047 -7.821 1.00 0.00 C ATOM 721 C ASP A 49 -12.396 0.654 -7.160 1.00 0.00 C ATOM 722 O ASP A 49 -12.063 0.337 -6.036 1.00 0.00 O ATOM 723 CB ASP A 49 -13.327 -1.380 -8.273 1.00 0.00 C ATOM 724 CG ASP A 49 -14.442 -2.316 -7.803 1.00 0.00 C ATOM 725 OD1 ASP A 49 -15.445 -2.403 -8.491 1.00 0.00 O ATOM 726 OD2 ASP A 49 -14.273 -2.928 -6.762 1.00 0.00 O ATOM 0 H ASP A 49 -13.728 0.496 -9.905 1.00 0.00 H new ATOM 0 HA ASP A 49 -14.457 0.033 -7.104 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.239 -1.418 -9.359 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.370 -1.703 -7.864 1.00 0.00 H new ATOM 731 N VAL A 50 -11.710 1.525 -7.849 1.00 0.00 N ATOM 732 CA VAL A 50 -10.490 2.150 -7.260 1.00 0.00 C ATOM 733 C VAL A 50 -10.777 3.615 -6.924 1.00 0.00 C ATOM 734 O VAL A 50 -10.507 4.077 -5.833 1.00 0.00 O ATOM 735 CB VAL A 50 -9.341 2.075 -8.271 1.00 0.00 C ATOM 736 CG1 VAL A 50 -8.200 2.993 -7.823 1.00 0.00 C ATOM 737 CG2 VAL A 50 -8.831 0.636 -8.360 1.00 0.00 C ATOM 0 H VAL A 50 -11.941 1.831 -8.794 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.212 1.617 -6.351 1.00 0.00 H new ATOM 0 HB VAL A 50 -9.701 2.395 -9.249 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.384 2.938 -8.544 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.561 4.020 -7.762 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.841 2.676 -6.844 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.014 0.583 -9.079 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.474 0.315 -7.381 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -9.641 -0.018 -8.683 1.00 0.00 H new ATOM 747 N THR A 51 -11.316 4.351 -7.857 1.00 0.00 N ATOM 748 CA THR A 51 -11.614 5.787 -7.599 1.00 0.00 C ATOM 749 C THR A 51 -12.516 5.916 -6.369 1.00 0.00 C ATOM 750 O THR A 51 -12.642 6.977 -5.792 1.00 0.00 O ATOM 751 CB THR A 51 -12.324 6.383 -8.818 1.00 0.00 C ATOM 752 OG1 THR A 51 -13.230 5.427 -9.349 1.00 0.00 O ATOM 753 CG2 THR A 51 -11.290 6.756 -9.882 1.00 0.00 C ATOM 0 H THR A 51 -11.563 4.018 -8.789 1.00 0.00 H new ATOM 0 HA THR A 51 -10.682 6.323 -7.418 1.00 0.00 H new ATOM 0 HB THR A 51 -12.872 7.277 -8.519 1.00 0.00 H new ATOM 0 HG1 THR A 51 -13.687 5.807 -10.128 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.797 7.180 -10.749 1.00 0.00 H new ATOM 0 HG22 THR A 51 -10.595 7.490 -9.473 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.740 5.864 -10.183 1.00 0.00 H new ATOM 761 N THR A 52 -13.148 4.847 -5.966 1.00 0.00 N ATOM 762 CA THR A 52 -14.043 4.915 -4.780 1.00 0.00 C ATOM 763 C THR A 52 -13.323 4.351 -3.554 1.00 0.00 C ATOM 764 O THR A 52 -13.428 4.881 -2.465 1.00 0.00 O ATOM 765 CB THR A 52 -15.300 4.090 -5.051 1.00 0.00 C ATOM 766 OG1 THR A 52 -15.988 4.629 -6.171 1.00 0.00 O ATOM 767 CG2 THR A 52 -16.207 4.129 -3.823 1.00 0.00 C ATOM 0 H THR A 52 -13.082 3.930 -6.408 1.00 0.00 H new ATOM 0 HA THR A 52 -14.315 5.954 -4.591 1.00 0.00 H new ATOM 0 HB THR A 52 -15.021 3.058 -5.262 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.856 4.046 -6.948 1.00 0.00 H new ATOM 0 HG21 THR A 52 -17.104 3.541 -4.015 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.677 3.714 -2.966 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.488 5.161 -3.611 1.00 0.00 H new ATOM 775 N ARG A 53 -12.592 3.281 -3.717 1.00 0.00 N ATOM 776 CA ARG A 53 -11.872 2.694 -2.553 1.00 0.00 C ATOM 777 C ARG A 53 -10.951 3.755 -1.954 1.00 0.00 C ATOM 778 O ARG A 53 -10.944 3.983 -0.762 1.00 0.00 O ATOM 779 CB ARG A 53 -11.040 1.497 -3.015 1.00 0.00 C ATOM 780 CG ARG A 53 -11.887 0.225 -2.942 1.00 0.00 C ATOM 781 CD ARG A 53 -11.019 -0.935 -2.452 1.00 0.00 C ATOM 782 NE ARG A 53 -11.596 -1.492 -1.197 1.00 0.00 N ATOM 783 CZ ARG A 53 -10.807 -1.930 -0.254 1.00 0.00 C ATOM 784 NH1 ARG A 53 -9.904 -2.832 -0.525 1.00 0.00 N ATOM 785 NH2 ARG A 53 -10.919 -1.464 0.960 1.00 0.00 N ATOM 0 H ARG A 53 -12.463 2.791 -4.602 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.591 2.362 -1.804 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.691 1.656 -4.035 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.154 1.393 -2.388 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -12.729 0.374 -2.267 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.302 -0.006 -3.923 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.965 -1.711 -3.216 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.000 -0.591 -2.275 1.00 0.00 H new ATOM 0 HE ARG A 53 -12.608 -1.531 -1.074 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -9.815 -3.195 -1.474 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.288 -3.174 0.212 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.623 -0.757 1.172 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -10.302 -1.807 1.697 1.00 0.00 H new ATOM 799 N LEU A 54 -10.180 4.413 -2.776 1.00 0.00 N ATOM 800 CA LEU A 54 -9.269 5.464 -2.255 1.00 0.00 C ATOM 801 C LEU A 54 -10.082 6.724 -1.954 1.00 0.00 C ATOM 802 O LEU A 54 -9.603 7.653 -1.334 1.00 0.00 O ATOM 803 CB LEU A 54 -8.202 5.778 -3.299 1.00 0.00 C ATOM 804 CG LEU A 54 -7.503 4.482 -3.697 1.00 0.00 C ATOM 805 CD1 LEU A 54 -6.570 4.744 -4.879 1.00 0.00 C ATOM 806 CD2 LEU A 54 -6.691 3.958 -2.510 1.00 0.00 C ATOM 0 H LEU A 54 -10.143 4.266 -3.785 1.00 0.00 H new ATOM 0 HA LEU A 54 -8.785 5.114 -1.343 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.656 6.245 -4.173 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.479 6.488 -2.897 1.00 0.00 H new ATOM 0 HG LEU A 54 -8.249 3.741 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.072 3.817 -5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.149 5.117 -5.724 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.823 5.486 -4.596 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.191 3.032 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.946 4.700 -2.223 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.357 3.769 -1.669 1.00 0.00 H new ATOM 818 N ARG A 55 -11.315 6.759 -2.386 1.00 0.00 N ATOM 819 CA ARG A 55 -12.164 7.952 -2.127 1.00 0.00 C ATOM 820 C ARG A 55 -11.652 9.137 -2.950 1.00 0.00 C ATOM 821 O ARG A 55 -11.722 10.275 -2.530 1.00 0.00 O ATOM 822 CB ARG A 55 -12.116 8.294 -0.636 1.00 0.00 C ATOM 823 CG ARG A 55 -12.285 7.010 0.179 1.00 0.00 C ATOM 824 CD ARG A 55 -11.811 7.243 1.615 1.00 0.00 C ATOM 825 NE ARG A 55 -11.843 5.954 2.362 1.00 0.00 N ATOM 826 CZ ARG A 55 -11.699 5.946 3.660 1.00 0.00 C ATOM 827 NH1 ARG A 55 -10.739 6.633 4.214 1.00 0.00 N ATOM 828 NH2 ARG A 55 -12.517 5.251 4.402 1.00 0.00 N ATOM 0 H ARG A 55 -11.769 6.010 -2.908 1.00 0.00 H new ATOM 0 HA ARG A 55 -13.193 7.738 -2.415 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.168 8.773 -0.391 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.905 9.003 -0.388 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -13.330 6.702 0.177 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.713 6.201 -0.276 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -10.800 7.651 1.614 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.450 7.977 2.106 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.978 5.077 1.859 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.100 7.177 3.634 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -10.627 6.627 5.228 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.268 4.714 3.968 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -12.405 5.244 5.416 1.00 0.00 H new ATOM 842 N GLU A 56 -11.147 8.877 -4.125 1.00 0.00 N ATOM 843 CA GLU A 56 -10.637 9.984 -4.984 1.00 0.00 C ATOM 844 C GLU A 56 -11.427 10.010 -6.294 1.00 0.00 C ATOM 845 O GLU A 56 -12.383 9.280 -6.467 1.00 0.00 O ATOM 846 CB GLU A 56 -9.153 9.761 -5.286 1.00 0.00 C ATOM 847 CG GLU A 56 -8.341 9.910 -3.997 1.00 0.00 C ATOM 848 CD GLU A 56 -8.076 11.392 -3.726 1.00 0.00 C ATOM 849 OE1 GLU A 56 -8.943 12.034 -3.157 1.00 0.00 O ATOM 850 OE2 GLU A 56 -7.011 11.860 -4.093 1.00 0.00 O ATOM 0 H GLU A 56 -11.065 7.944 -4.528 1.00 0.00 H new ATOM 0 HA GLU A 56 -10.758 10.934 -4.463 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.003 8.768 -5.710 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.810 10.481 -6.029 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.883 9.468 -3.161 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.397 9.372 -4.085 1.00 0.00 H new ATOM 857 N ASN A 57 -11.040 10.846 -7.220 1.00 0.00 N ATOM 858 CA ASN A 57 -11.773 10.915 -8.516 1.00 0.00 C ATOM 859 C ASN A 57 -10.780 11.119 -9.661 1.00 0.00 C ATOM 860 O ASN A 57 -10.691 10.315 -10.568 1.00 0.00 O ATOM 861 CB ASN A 57 -12.755 12.088 -8.483 1.00 0.00 C ATOM 862 CG ASN A 57 -13.649 11.970 -7.248 1.00 0.00 C ATOM 863 OD1 ASN A 57 -13.849 12.933 -6.535 1.00 0.00 O ATOM 864 ND2 ASN A 57 -14.199 10.822 -6.963 1.00 0.00 N ATOM 0 H ASN A 57 -10.248 11.484 -7.135 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.318 9.984 -8.671 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -12.210 13.032 -8.462 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.364 12.092 -9.387 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.797 10.733 -6.141 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -14.031 10.013 -7.562 1.00 0.00 H new ATOM 871 N GLU A 58 -10.038 12.191 -9.630 1.00 0.00 N ATOM 872 CA GLU A 58 -9.056 12.445 -10.722 1.00 0.00 C ATOM 873 C GLU A 58 -7.750 11.709 -10.418 1.00 0.00 C ATOM 874 O GLU A 58 -6.806 12.282 -9.911 1.00 0.00 O ATOM 875 CB GLU A 58 -8.787 13.947 -10.822 1.00 0.00 C ATOM 876 CG GLU A 58 -10.097 14.680 -11.121 1.00 0.00 C ATOM 877 CD GLU A 58 -10.220 14.909 -12.629 1.00 0.00 C ATOM 878 OE1 GLU A 58 -9.273 14.603 -13.333 1.00 0.00 O ATOM 879 OE2 GLU A 58 -11.260 15.388 -13.052 1.00 0.00 O ATOM 0 H GLU A 58 -10.069 12.901 -8.898 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.461 12.084 -11.667 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.357 14.313 -9.890 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.059 14.146 -11.608 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.944 14.096 -10.761 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.121 15.634 -10.594 1.00 0.00 H new ATOM 886 N LEU A 59 -7.690 10.444 -10.728 1.00 0.00 N ATOM 887 CA LEU A 59 -6.446 9.668 -10.463 1.00 0.00 C ATOM 888 C LEU A 59 -6.167 8.743 -11.648 1.00 0.00 C ATOM 889 O LEU A 59 -7.040 8.455 -12.442 1.00 0.00 O ATOM 890 CB LEU A 59 -6.624 8.834 -9.192 1.00 0.00 C ATOM 891 CG LEU A 59 -7.841 7.921 -9.348 1.00 0.00 C ATOM 892 CD1 LEU A 59 -7.374 6.483 -9.579 1.00 0.00 C ATOM 893 CD2 LEU A 59 -8.688 7.981 -8.074 1.00 0.00 C ATOM 0 H LEU A 59 -8.450 9.913 -11.154 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.609 10.353 -10.330 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.730 8.238 -9.007 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.755 9.488 -8.330 1.00 0.00 H new ATOM 0 HG LEU A 59 -8.436 8.251 -10.199 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.241 5.832 -9.690 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.768 6.438 -10.484 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.779 6.152 -8.728 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -9.556 7.331 -8.183 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -8.091 7.650 -7.224 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -9.021 9.005 -7.906 1.00 0.00 H new ATOM 905 N THR A 60 -4.955 8.279 -11.777 1.00 0.00 N ATOM 906 CA THR A 60 -4.621 7.375 -12.913 1.00 0.00 C ATOM 907 C THR A 60 -4.181 6.016 -12.366 1.00 0.00 C ATOM 908 O THR A 60 -3.025 5.650 -12.444 1.00 0.00 O ATOM 909 CB THR A 60 -3.484 7.988 -13.733 1.00 0.00 C ATOM 910 OG1 THR A 60 -3.377 9.372 -13.430 1.00 0.00 O ATOM 911 CG2 THR A 60 -3.772 7.813 -15.225 1.00 0.00 C ATOM 0 H THR A 60 -4.182 8.487 -11.145 1.00 0.00 H new ATOM 0 HA THR A 60 -5.498 7.246 -13.548 1.00 0.00 H new ATOM 0 HB THR A 60 -2.548 7.486 -13.486 1.00 0.00 H new ATOM 0 HG1 THR A 60 -2.648 9.766 -13.953 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.960 8.251 -15.806 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.853 6.751 -15.458 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.708 8.312 -15.476 1.00 0.00 H new ATOM 919 N TYR A 61 -5.092 5.266 -11.809 1.00 0.00 N ATOM 920 CA TYR A 61 -4.722 3.935 -11.255 1.00 0.00 C ATOM 921 C TYR A 61 -4.357 2.986 -12.403 1.00 0.00 C ATOM 922 O TYR A 61 -5.173 2.678 -13.250 1.00 0.00 O ATOM 923 CB TYR A 61 -5.903 3.368 -10.449 1.00 0.00 C ATOM 924 CG TYR A 61 -6.907 2.714 -11.374 1.00 0.00 C ATOM 925 CD1 TYR A 61 -7.666 3.497 -12.253 1.00 0.00 C ATOM 926 CD2 TYR A 61 -7.073 1.324 -11.354 1.00 0.00 C ATOM 927 CE1 TYR A 61 -8.590 2.890 -13.111 1.00 0.00 C ATOM 928 CE2 TYR A 61 -7.997 0.718 -12.214 1.00 0.00 C ATOM 929 CZ TYR A 61 -8.756 1.499 -13.092 1.00 0.00 C ATOM 930 OH TYR A 61 -9.663 0.901 -13.940 1.00 0.00 O ATOM 0 H TYR A 61 -6.076 5.518 -11.714 1.00 0.00 H new ATOM 0 HA TYR A 61 -3.861 4.038 -10.595 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.540 2.641 -9.723 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -6.385 4.167 -9.886 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.538 4.569 -12.269 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -6.489 0.720 -10.676 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.175 3.494 -13.788 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.124 -0.354 -12.199 1.00 0.00 H new ATOM 0 HH TYR A 61 -10.102 1.587 -14.486 1.00 0.00 H new ATOM 940 N TYR A 62 -3.140 2.518 -12.439 1.00 0.00 N ATOM 941 CA TYR A 62 -2.737 1.590 -13.534 1.00 0.00 C ATOM 942 C TYR A 62 -2.379 0.228 -12.940 1.00 0.00 C ATOM 943 O TYR A 62 -1.375 0.073 -12.272 1.00 0.00 O ATOM 944 CB TYR A 62 -1.527 2.158 -14.274 1.00 0.00 C ATOM 945 CG TYR A 62 -1.049 1.151 -15.290 1.00 0.00 C ATOM 946 CD1 TYR A 62 -1.941 0.645 -16.243 1.00 0.00 C ATOM 947 CD2 TYR A 62 0.283 0.721 -15.280 1.00 0.00 C ATOM 948 CE1 TYR A 62 -1.502 -0.290 -17.186 1.00 0.00 C ATOM 949 CE2 TYR A 62 0.722 -0.216 -16.223 1.00 0.00 C ATOM 950 CZ TYR A 62 -0.170 -0.721 -17.177 1.00 0.00 C ATOM 951 OH TYR A 62 0.264 -1.644 -18.106 1.00 0.00 O ATOM 0 H TYR A 62 -2.410 2.736 -11.761 1.00 0.00 H new ATOM 0 HA TYR A 62 -3.565 1.477 -14.234 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -1.794 3.092 -14.768 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -0.729 2.387 -13.568 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -2.969 0.977 -16.250 1.00 0.00 H new ATOM 0 HD2 TYR A 62 0.972 1.112 -14.545 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -2.191 -0.680 -17.921 1.00 0.00 H new ATOM 0 HE2 TYR A 62 1.749 -0.550 -16.215 1.00 0.00 H new ATOM 0 HH TYR A 62 0.988 -1.255 -18.640 1.00 0.00 H new ATOM 961 N CYS A 63 -3.193 -0.765 -13.178 1.00 0.00 N ATOM 962 CA CYS A 63 -2.900 -2.117 -12.628 1.00 0.00 C ATOM 963 C CYS A 63 -1.849 -2.806 -13.496 1.00 0.00 C ATOM 964 O CYS A 63 -1.681 -2.492 -14.657 1.00 0.00 O ATOM 965 CB CYS A 63 -4.180 -2.952 -12.620 1.00 0.00 C ATOM 966 SG CYS A 63 -5.552 -1.937 -12.018 1.00 0.00 S ATOM 0 H CYS A 63 -4.048 -0.697 -13.730 1.00 0.00 H new ATOM 0 HA CYS A 63 -2.522 -2.020 -11.610 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -4.396 -3.317 -13.624 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -4.053 -3.827 -11.983 1.00 0.00 H new ATOM 971 N CYS A 64 -1.140 -3.744 -12.937 1.00 0.00 N ATOM 972 CA CYS A 64 -0.094 -4.458 -13.724 1.00 0.00 C ATOM 973 C CYS A 64 -0.045 -5.925 -13.297 1.00 0.00 C ATOM 974 O CYS A 64 -0.720 -6.336 -12.375 1.00 0.00 O ATOM 975 CB CYS A 64 1.268 -3.817 -13.461 1.00 0.00 C ATOM 976 SG CYS A 64 1.902 -3.075 -14.986 1.00 0.00 S ATOM 0 H CYS A 64 -1.238 -4.049 -11.969 1.00 0.00 H new ATOM 0 HA CYS A 64 -0.334 -4.392 -14.785 1.00 0.00 H new ATOM 0 HB2 CYS A 64 1.178 -3.056 -12.686 1.00 0.00 H new ATOM 0 HB3 CYS A 64 1.968 -4.567 -13.092 1.00 0.00 H new ATOM 981 N LYS A 65 0.753 -6.719 -13.956 1.00 0.00 N ATOM 982 CA LYS A 65 0.849 -8.157 -13.581 1.00 0.00 C ATOM 983 C LYS A 65 2.282 -8.645 -13.797 1.00 0.00 C ATOM 984 O LYS A 65 2.516 -9.800 -14.092 1.00 0.00 O ATOM 985 CB LYS A 65 -0.109 -8.978 -14.449 1.00 0.00 C ATOM 986 CG LYS A 65 -0.039 -8.491 -15.898 1.00 0.00 C ATOM 987 CD LYS A 65 -1.091 -9.224 -16.733 1.00 0.00 C ATOM 988 CE LYS A 65 -1.567 -8.315 -17.867 1.00 0.00 C ATOM 989 NZ LYS A 65 -0.755 -8.577 -19.089 1.00 0.00 N ATOM 0 H LYS A 65 1.343 -6.434 -14.738 1.00 0.00 H new ATOM 0 HA LYS A 65 0.579 -8.278 -12.532 1.00 0.00 H new ATOM 0 HB2 LYS A 65 0.153 -10.035 -14.397 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.128 -8.884 -14.072 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.210 -7.415 -15.940 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.955 -8.672 -16.306 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.671 -10.143 -17.142 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.934 -9.511 -16.105 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -2.622 -8.495 -18.073 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.474 -7.270 -17.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -1.079 -7.959 -19.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 0.247 -8.384 -18.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.866 -9.571 -19.373 1.00 0.00 H new ATOM 1003 N LYS A 66 3.243 -7.775 -13.651 1.00 0.00 N ATOM 1004 CA LYS A 66 4.659 -8.193 -13.846 1.00 0.00 C ATOM 1005 C LYS A 66 5.411 -8.093 -12.515 1.00 0.00 C ATOM 1006 O LYS A 66 4.985 -7.418 -11.599 1.00 0.00 O ATOM 1007 CB LYS A 66 5.321 -7.281 -14.881 1.00 0.00 C ATOM 1008 CG LYS A 66 5.461 -8.034 -16.206 1.00 0.00 C ATOM 1009 CD LYS A 66 4.453 -7.485 -17.218 1.00 0.00 C ATOM 1010 CE LYS A 66 4.738 -8.083 -18.599 1.00 0.00 C ATOM 1011 NZ LYS A 66 3.460 -8.535 -19.220 1.00 0.00 N ATOM 0 H LYS A 66 3.109 -6.794 -13.405 1.00 0.00 H new ATOM 0 HA LYS A 66 4.689 -9.224 -14.200 1.00 0.00 H new ATOM 0 HB2 LYS A 66 4.724 -6.380 -15.023 1.00 0.00 H new ATOM 0 HB3 LYS A 66 6.301 -6.961 -14.526 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.475 -7.926 -16.592 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.291 -9.099 -16.050 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.438 -7.731 -16.906 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.519 -6.398 -17.260 1.00 0.00 H new ATOM 0 HE2 LYS A 66 5.221 -7.341 -19.235 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.427 -8.923 -18.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 3.654 -8.941 -20.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.016 -9.256 -18.616 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.817 -7.724 -19.320 1.00 0.00 H new ATOM 1025 N ASP A 67 6.520 -8.768 -12.401 1.00 0.00 N ATOM 1026 CA ASP A 67 7.298 -8.723 -11.130 1.00 0.00 C ATOM 1027 C ASP A 67 7.698 -7.282 -10.810 1.00 0.00 C ATOM 1028 O ASP A 67 8.747 -6.816 -11.206 1.00 0.00 O ATOM 1029 CB ASP A 67 8.559 -9.578 -11.274 1.00 0.00 C ATOM 1030 CG ASP A 67 8.241 -11.026 -10.901 1.00 0.00 C ATOM 1031 OD1 ASP A 67 7.067 -11.353 -10.824 1.00 0.00 O ATOM 1032 OD2 ASP A 67 9.174 -11.785 -10.699 1.00 0.00 O ATOM 0 H ASP A 67 6.923 -9.351 -13.135 1.00 0.00 H new ATOM 0 HA ASP A 67 6.679 -9.111 -10.321 1.00 0.00 H new ATOM 0 HB2 ASP A 67 8.929 -9.528 -12.298 1.00 0.00 H new ATOM 0 HB3 ASP A 67 9.349 -9.191 -10.630 1.00 0.00 H new ATOM 1037 N LEU A 68 6.869 -6.575 -10.090 1.00 0.00 N ATOM 1038 CA LEU A 68 7.192 -5.167 -9.730 1.00 0.00 C ATOM 1039 C LEU A 68 7.019 -4.274 -10.956 1.00 0.00 C ATOM 1040 O LEU A 68 7.976 -3.829 -11.560 1.00 0.00 O ATOM 1041 CB LEU A 68 8.631 -5.087 -9.217 1.00 0.00 C ATOM 1042 CG LEU A 68 8.869 -6.212 -8.209 1.00 0.00 C ATOM 1043 CD1 LEU A 68 10.365 -6.340 -7.927 1.00 0.00 C ATOM 1044 CD2 LEU A 68 8.133 -5.892 -6.905 1.00 0.00 C ATOM 0 H LEU A 68 5.976 -6.916 -9.734 1.00 0.00 H new ATOM 0 HA LEU A 68 6.517 -4.826 -8.945 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.331 -5.173 -10.048 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.809 -4.119 -8.749 1.00 0.00 H new ATOM 0 HG LEU A 68 8.495 -7.150 -8.620 1.00 0.00 H new ATOM 0 HD11 LEU A 68 10.532 -7.142 -7.208 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.892 -6.567 -8.854 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.740 -5.402 -7.517 1.00 0.00 H new ATOM 0 HD21 LEU A 68 8.302 -6.693 -6.186 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.507 -4.953 -6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.065 -5.801 -7.103 1.00 0.00 H new ATOM 1056 N CYS A 69 5.797 -4.015 -11.326 1.00 0.00 N ATOM 1057 CA CYS A 69 5.535 -3.153 -12.514 1.00 0.00 C ATOM 1058 C CYS A 69 5.285 -1.714 -12.060 1.00 0.00 C ATOM 1059 O CYS A 69 5.243 -0.800 -12.859 1.00 0.00 O ATOM 1060 CB CYS A 69 4.297 -3.678 -13.241 1.00 0.00 C ATOM 1061 SG CYS A 69 3.777 -2.493 -14.508 1.00 0.00 S ATOM 0 H CYS A 69 4.963 -4.365 -10.855 1.00 0.00 H new ATOM 0 HA CYS A 69 6.396 -3.174 -13.182 1.00 0.00 H new ATOM 0 HB2 CYS A 69 4.516 -4.642 -13.700 1.00 0.00 H new ATOM 0 HB3 CYS A 69 3.488 -3.841 -12.529 1.00 0.00 H new ATOM 1066 N ASN A 70 5.111 -1.503 -10.784 1.00 0.00 N ATOM 1067 CA ASN A 70 4.857 -0.123 -10.286 1.00 0.00 C ATOM 1068 C ASN A 70 6.184 0.622 -10.126 1.00 0.00 C ATOM 1069 O ASN A 70 6.849 0.512 -9.115 1.00 0.00 O ATOM 1070 CB ASN A 70 4.143 -0.192 -8.933 1.00 0.00 C ATOM 1071 CG ASN A 70 2.935 -1.124 -9.039 1.00 0.00 C ATOM 1072 OD1 ASN A 70 2.715 -1.738 -10.064 1.00 0.00 O ATOM 1073 ND2 ASN A 70 2.135 -1.255 -8.017 1.00 0.00 N ATOM 0 H ASN A 70 5.134 -2.227 -10.066 1.00 0.00 H new ATOM 0 HA ASN A 70 4.231 0.409 -11.002 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.828 -0.554 -8.167 1.00 0.00 H new ATOM 0 HB3 ASN A 70 3.821 0.804 -8.629 1.00 0.00 H new ATOM 0 HD21 ASN A 70 1.326 -1.873 -8.079 1.00 0.00 H new ATOM 0 HD22 ASN A 70 2.319 -0.740 -7.156 1.00 0.00 H new ATOM 1080 N PHE A 71 6.573 1.382 -11.112 1.00 0.00 N ATOM 1081 CA PHE A 71 7.855 2.136 -11.010 1.00 0.00 C ATOM 1082 C PHE A 71 7.694 3.506 -11.673 1.00 0.00 C ATOM 1083 O PHE A 71 8.613 4.028 -12.274 1.00 0.00 O ATOM 1084 CB PHE A 71 8.969 1.355 -11.711 1.00 0.00 C ATOM 1085 CG PHE A 71 8.473 0.846 -13.044 1.00 0.00 C ATOM 1086 CD1 PHE A 71 7.785 -0.372 -13.118 1.00 0.00 C ATOM 1087 CD2 PHE A 71 8.706 1.589 -14.206 1.00 0.00 C ATOM 1088 CE1 PHE A 71 7.330 -0.845 -14.355 1.00 0.00 C ATOM 1089 CE2 PHE A 71 8.250 1.116 -15.442 1.00 0.00 C ATOM 1090 CZ PHE A 71 7.562 -0.100 -15.516 1.00 0.00 C ATOM 0 H PHE A 71 6.059 1.514 -11.983 1.00 0.00 H new ATOM 0 HA PHE A 71 8.115 2.268 -9.960 1.00 0.00 H new ATOM 0 HB2 PHE A 71 9.839 1.995 -11.856 1.00 0.00 H new ATOM 0 HB3 PHE A 71 9.288 0.520 -11.088 1.00 0.00 H new ATOM 0 HD1 PHE A 71 7.606 -0.946 -12.221 1.00 0.00 H new ATOM 0 HD2 PHE A 71 9.238 2.527 -14.150 1.00 0.00 H new ATOM 0 HE1 PHE A 71 6.800 -1.784 -14.413 1.00 0.00 H new ATOM 0 HE2 PHE A 71 8.429 1.690 -16.339 1.00 0.00 H new ATOM 0 HZ PHE A 71 7.210 -0.464 -16.470 1.00 0.00 H new ATOM 1100 N ASN A 72 6.533 4.092 -11.566 1.00 0.00 N ATOM 1101 CA ASN A 72 6.311 5.429 -12.186 1.00 0.00 C ATOM 1102 C ASN A 72 6.811 5.416 -13.632 1.00 0.00 C ATOM 1103 O ASN A 72 7.850 5.962 -13.945 1.00 0.00 O ATOM 1104 CB ASN A 72 7.073 6.493 -11.393 1.00 0.00 C ATOM 1105 CG ASN A 72 6.120 7.176 -10.408 1.00 0.00 C ATOM 1106 OD1 ASN A 72 5.407 6.517 -9.680 1.00 0.00 O ATOM 1107 ND2 ASN A 72 6.080 8.480 -10.356 1.00 0.00 N ATOM 0 H ASN A 72 5.728 3.702 -11.076 1.00 0.00 H new ATOM 0 HA ASN A 72 5.246 5.659 -12.174 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.903 6.036 -10.855 1.00 0.00 H new ATOM 0 HB3 ASN A 72 7.501 7.230 -12.072 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.449 8.945 -9.703 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.680 9.033 -10.968 1.00 0.00 H new ATOM 1114 N GLU A 73 6.076 4.800 -14.518 1.00 0.00 N ATOM 1115 CA GLU A 73 6.506 4.759 -15.945 1.00 0.00 C ATOM 1116 C GLU A 73 5.587 3.821 -16.731 1.00 0.00 C ATOM 1117 O GLU A 73 6.038 2.902 -17.387 1.00 0.00 O ATOM 1118 CB GLU A 73 7.947 4.250 -16.033 1.00 0.00 C ATOM 1119 CG GLU A 73 8.860 5.382 -16.505 1.00 0.00 C ATOM 1120 CD GLU A 73 8.527 5.734 -17.956 1.00 0.00 C ATOM 1121 OE1 GLU A 73 7.560 6.449 -18.165 1.00 0.00 O ATOM 1122 OE2 GLU A 73 9.244 5.283 -18.834 1.00 0.00 O ATOM 0 H GLU A 73 5.197 4.324 -14.316 1.00 0.00 H new ATOM 0 HA GLU A 73 6.449 5.762 -16.367 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.275 3.886 -15.060 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.005 3.409 -16.724 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.731 6.257 -15.868 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.904 5.080 -16.423 1.00 0.00 H new ATOM 1129 N GLN A 74 4.303 4.044 -16.676 1.00 0.00 N ATOM 1130 CA GLN A 74 3.360 3.165 -17.425 1.00 0.00 C ATOM 1131 C GLN A 74 1.938 3.713 -17.293 1.00 0.00 C ATOM 1132 O GLN A 74 1.007 2.988 -17.006 1.00 0.00 O ATOM 1133 CB GLN A 74 3.415 1.747 -16.855 1.00 0.00 C ATOM 1134 CG GLN A 74 4.166 0.834 -17.827 1.00 0.00 C ATOM 1135 CD GLN A 74 3.183 -0.143 -18.476 1.00 0.00 C ATOM 1136 OE1 GLN A 74 1.987 0.070 -18.445 1.00 0.00 O ATOM 1137 NE2 GLN A 74 3.640 -1.214 -19.066 1.00 0.00 N ATOM 0 H GLN A 74 3.865 4.797 -16.145 1.00 0.00 H new ATOM 0 HA GLN A 74 3.646 3.142 -18.477 1.00 0.00 H new ATOM 0 HB2 GLN A 74 3.914 1.752 -15.886 1.00 0.00 H new ATOM 0 HB3 GLN A 74 2.405 1.370 -16.692 1.00 0.00 H new ATOM 0 HG2 GLN A 74 4.661 1.430 -18.593 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.945 0.285 -17.298 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.644 -1.393 -19.092 1.00 0.00 H new ATOM 0 HE22 GLN A 74 2.993 -1.872 -19.501 1.00 0.00 H new ATOM 1146 N LEU A 75 1.762 4.988 -17.504 1.00 0.00 N ATOM 1147 CA LEU A 75 0.399 5.582 -17.392 1.00 0.00 C ATOM 1148 C LEU A 75 0.498 7.104 -17.505 1.00 0.00 C ATOM 1149 O LEU A 75 -0.355 7.751 -18.080 1.00 0.00 O ATOM 1150 CB LEU A 75 -0.210 5.206 -16.040 1.00 0.00 C ATOM 1151 CG LEU A 75 0.841 5.373 -14.942 1.00 0.00 C ATOM 1152 CD1 LEU A 75 0.375 6.432 -13.944 1.00 0.00 C ATOM 1153 CD2 LEU A 75 1.035 4.040 -14.216 1.00 0.00 C ATOM 0 H LEU A 75 2.503 5.645 -17.749 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.234 5.200 -18.193 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.074 5.837 -15.830 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.566 4.176 -16.064 1.00 0.00 H new ATOM 0 HG LEU A 75 1.785 5.686 -15.389 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.125 6.550 -13.162 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.236 7.382 -14.460 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.569 6.120 -13.497 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.784 4.158 -13.433 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.091 3.727 -13.771 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.369 3.284 -14.927 1.00 0.00 H new