USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 603 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -141:sc= 0.016 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -95:sc= -0.655! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0.102 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -4.22! C(o=-4.2!,f=-11!) USER MOD Single : A 30 ASN : amide:sc= -3.53! C(o=-3.5!,f=-6.1!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0.0353 USER MOD Single : A 36 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.197) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -157:sc= 0.0582 (180deg=0.00315) USER MOD Single : A 48 MET CE :methyl 180:sc= -6.91! (180deg=-6.91!) USER MOD Single : A 52 ASN : amide:sc= -0.163 K(o=-0.16,f=-0.81) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -125:sc=-0.00101 (180deg=-0.483) USER MOD Single : A 62 MET CE :methyl 180:sc=-0.00175 (180deg=-0.00175) USER MOD Single : A 66 THR OG1 : rot 102:sc= 1.34 USER MOD Single : A 69 SER OG : rot 98:sc= 0.458 USER MOD Single : A 70 MET CE :methyl 156:sc= -1.14 (180deg=-2.72!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.874 6.367 15.219 1.00 0.00 N ATOM 2 CA MET A 1 -16.278 6.568 13.799 1.00 0.00 C ATOM 3 C MET A 1 -15.518 7.761 13.215 1.00 0.00 C ATOM 4 O MET A 1 -15.485 8.828 13.793 1.00 0.00 O ATOM 5 CB MET A 1 -17.782 6.844 13.731 1.00 0.00 C ATOM 6 CG MET A 1 -18.380 6.118 12.526 1.00 0.00 C ATOM 7 SD MET A 1 -19.027 4.512 13.050 1.00 0.00 S ATOM 8 CE MET A 1 -17.955 3.487 12.013 1.00 0.00 C ATOM 0 H1 MET A 1 -16.391 5.556 15.615 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.852 6.183 15.266 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.097 7.222 15.768 1.00 0.00 H new ATOM 0 HA MET A 1 -16.044 5.671 13.226 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.266 6.508 14.648 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.962 7.916 13.649 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.177 6.717 12.086 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.621 5.982 11.756 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.187 2.435 12.179 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.119 3.734 10.964 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.913 3.674 12.271 1.00 0.00 H new ATOM 20 N THR A 2 -14.908 7.590 12.074 1.00 0.00 N ATOM 21 CA THR A 2 -14.155 8.719 11.459 1.00 0.00 C ATOM 22 C THR A 2 -15.142 9.712 10.843 1.00 0.00 C ATOM 23 O THR A 2 -16.341 9.531 10.907 1.00 0.00 O ATOM 24 CB THR A 2 -13.226 8.182 10.367 1.00 0.00 C ATOM 25 OG1 THR A 2 -14.005 7.672 9.294 1.00 0.00 O ATOM 26 CG2 THR A 2 -12.350 7.068 10.940 1.00 0.00 C ATOM 0 H THR A 2 -14.899 6.720 11.542 1.00 0.00 H new ATOM 0 HA THR A 2 -13.563 9.219 12.225 1.00 0.00 H new ATOM 0 HB THR A 2 -12.589 8.988 10.003 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.412 7.329 8.593 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.690 6.687 10.161 1.00 0.00 H new ATOM 0 HG22 THR A 2 -11.752 7.462 11.762 1.00 0.00 H new ATOM 0 HG23 THR A 2 -12.983 6.260 11.306 1.00 0.00 H new ATOM 34 N PHE A 3 -14.647 10.762 10.247 1.00 0.00 N ATOM 35 CA PHE A 3 -15.558 11.765 9.627 1.00 0.00 C ATOM 36 C PHE A 3 -14.783 12.587 8.596 1.00 0.00 C ATOM 37 O PHE A 3 -13.805 13.235 8.913 1.00 0.00 O ATOM 38 CB PHE A 3 -16.110 12.695 10.710 1.00 0.00 C ATOM 39 CG PHE A 3 -14.971 13.443 11.361 1.00 0.00 C ATOM 40 CD1 PHE A 3 -14.159 12.800 12.301 1.00 0.00 C ATOM 41 CD2 PHE A 3 -14.727 14.779 11.021 1.00 0.00 C ATOM 42 CE1 PHE A 3 -13.103 13.494 12.904 1.00 0.00 C ATOM 43 CE2 PHE A 3 -13.670 15.472 11.624 1.00 0.00 C ATOM 44 CZ PHE A 3 -12.858 14.830 12.566 1.00 0.00 C ATOM 0 H PHE A 3 -13.652 10.969 10.163 1.00 0.00 H new ATOM 0 HA PHE A 3 -16.384 11.250 9.137 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -16.819 13.399 10.273 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -16.654 12.117 11.457 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -14.346 11.769 12.562 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -15.353 15.275 10.294 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -12.477 12.998 13.631 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -13.481 16.503 11.362 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.043 15.365 13.032 1.00 0.00 H new ATOM 54 N ILE A 4 -15.211 12.566 7.364 1.00 0.00 N ATOM 55 CA ILE A 4 -14.498 13.344 6.314 1.00 0.00 C ATOM 56 C ILE A 4 -13.192 12.621 5.953 1.00 0.00 C ATOM 57 O ILE A 4 -12.618 11.920 6.761 1.00 0.00 O ATOM 58 CB ILE A 4 -14.223 14.769 6.840 1.00 0.00 C ATOM 59 CG1 ILE A 4 -14.605 15.786 5.762 1.00 0.00 C ATOM 60 CG2 ILE A 4 -12.744 14.956 7.208 1.00 0.00 C ATOM 61 CD1 ILE A 4 -15.508 16.859 6.372 1.00 0.00 C ATOM 0 H ILE A 4 -16.024 12.043 7.039 1.00 0.00 H new ATOM 0 HA ILE A 4 -15.108 13.422 5.414 1.00 0.00 H new ATOM 0 HB ILE A 4 -14.820 14.922 7.739 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -13.708 16.244 5.345 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -15.119 15.286 4.941 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -12.586 15.970 7.575 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -12.469 14.242 7.985 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -12.126 14.788 6.326 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -15.781 17.584 5.605 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -16.410 16.393 6.768 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -14.977 17.366 7.178 1.00 0.00 H new ATOM 73 N THR A 5 -12.722 12.785 4.747 1.00 0.00 N ATOM 74 CA THR A 5 -11.459 12.106 4.344 1.00 0.00 C ATOM 75 C THR A 5 -11.046 12.579 2.948 1.00 0.00 C ATOM 76 O THR A 5 -11.877 12.901 2.122 1.00 0.00 O ATOM 77 CB THR A 5 -11.680 10.592 4.327 1.00 0.00 C ATOM 78 OG1 THR A 5 -10.561 9.960 3.723 1.00 0.00 O ATOM 79 CG2 THR A 5 -12.945 10.268 3.529 1.00 0.00 C ATOM 0 H THR A 5 -13.157 13.359 4.025 1.00 0.00 H new ATOM 0 HA THR A 5 -10.671 12.351 5.056 1.00 0.00 H new ATOM 0 HB THR A 5 -11.796 10.229 5.348 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.868 9.217 3.163 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.102 9.189 3.517 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.803 10.754 3.994 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.833 10.629 2.507 1.00 0.00 H new ATOM 87 N LYS A 6 -9.770 12.622 2.680 1.00 0.00 N ATOM 88 CA LYS A 6 -9.310 13.072 1.337 1.00 0.00 C ATOM 89 C LYS A 6 -8.569 11.930 0.642 1.00 0.00 C ATOM 90 O LYS A 6 -7.689 12.147 -0.166 1.00 0.00 O ATOM 91 CB LYS A 6 -8.372 14.272 1.492 1.00 0.00 C ATOM 92 CG LYS A 6 -9.039 15.336 2.365 1.00 0.00 C ATOM 93 CD LYS A 6 -8.519 15.222 3.799 1.00 0.00 C ATOM 94 CE LYS A 6 -9.641 15.568 4.780 1.00 0.00 C ATOM 95 NZ LYS A 6 -9.092 16.394 5.892 1.00 0.00 N ATOM 0 H LYS A 6 -9.028 12.366 3.331 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.173 13.362 0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.431 13.955 1.942 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -8.133 14.688 0.513 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.829 16.330 1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -10.121 15.208 2.349 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.157 14.211 3.986 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -7.674 15.895 3.945 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.433 16.112 4.266 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.086 14.655 5.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -9.855 16.629 6.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.351 15.859 6.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -8.687 17.271 5.506 1.00 0.00 H new ATOM 109 N THR A 7 -8.924 10.714 0.949 1.00 0.00 N ATOM 110 CA THR A 7 -8.249 9.546 0.308 1.00 0.00 C ATOM 111 C THR A 7 -8.641 8.261 1.042 1.00 0.00 C ATOM 112 O THR A 7 -8.958 8.290 2.215 1.00 0.00 O ATOM 113 CB THR A 7 -6.728 9.716 0.372 1.00 0.00 C ATOM 114 OG1 THR A 7 -6.400 10.750 1.289 1.00 0.00 O ATOM 115 CG2 THR A 7 -6.193 10.067 -1.016 1.00 0.00 C ATOM 0 H THR A 7 -9.655 10.476 1.619 1.00 0.00 H new ATOM 0 HA THR A 7 -8.562 9.487 -0.735 1.00 0.00 H new ATOM 0 HB THR A 7 -6.274 8.783 0.707 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.281 11.593 0.803 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.111 10.188 -0.969 1.00 0.00 H new ATOM 0 HG22 THR A 7 -6.439 9.267 -1.714 1.00 0.00 H new ATOM 0 HG23 THR A 7 -6.647 10.997 -1.356 1.00 0.00 H new ATOM 123 N PRO A 8 -8.600 7.168 0.325 1.00 0.00 N ATOM 124 CA PRO A 8 -8.937 5.842 0.872 1.00 0.00 C ATOM 125 C PRO A 8 -7.768 5.301 1.702 1.00 0.00 C ATOM 126 O PRO A 8 -6.718 5.910 1.761 1.00 0.00 O ATOM 127 CB PRO A 8 -9.168 4.988 -0.379 1.00 0.00 C ATOM 128 CG PRO A 8 -8.411 5.690 -1.530 1.00 0.00 C ATOM 129 CD PRO A 8 -8.214 7.154 -1.101 1.00 0.00 C ATOM 0 HA PRO A 8 -9.801 5.853 1.536 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.797 3.974 -0.231 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -10.231 4.909 -0.605 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.451 5.208 -1.713 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.979 5.632 -2.459 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.181 7.473 -1.237 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.836 7.829 -1.689 1.00 0.00 H new ATOM 137 N PRO A 9 -7.985 4.168 2.322 1.00 0.00 N ATOM 138 CA PRO A 9 -6.966 3.516 3.161 1.00 0.00 C ATOM 139 C PRO A 9 -5.939 2.789 2.287 1.00 0.00 C ATOM 140 O PRO A 9 -6.268 2.231 1.260 1.00 0.00 O ATOM 141 CB PRO A 9 -7.775 2.520 3.997 1.00 0.00 C ATOM 142 CG PRO A 9 -9.084 2.255 3.216 1.00 0.00 C ATOM 143 CD PRO A 9 -9.266 3.434 2.243 1.00 0.00 C ATOM 0 HA PRO A 9 -6.400 4.218 3.773 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -7.218 1.595 4.146 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.988 2.926 4.986 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -9.027 1.311 2.674 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.932 2.181 3.897 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -9.465 3.087 1.229 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.106 4.065 2.534 1.00 0.00 H new ATOM 151 N ALA A 10 -4.697 2.792 2.686 1.00 0.00 N ATOM 152 CA ALA A 10 -3.654 2.100 1.876 1.00 0.00 C ATOM 153 C ALA A 10 -3.884 0.588 1.936 1.00 0.00 C ATOM 154 O ALA A 10 -3.255 -0.173 1.229 1.00 0.00 O ATOM 155 CB ALA A 10 -2.269 2.427 2.436 1.00 0.00 C ATOM 0 H ALA A 10 -4.359 3.243 3.536 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.715 2.438 0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.508 1.920 1.843 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -2.105 3.504 2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.206 2.090 3.471 1.00 0.00 H new ATOM 161 N ALA A 11 -4.780 0.147 2.777 1.00 0.00 N ATOM 162 CA ALA A 11 -5.046 -1.314 2.883 1.00 0.00 C ATOM 163 C ALA A 11 -6.032 -1.737 1.793 1.00 0.00 C ATOM 164 O ALA A 11 -6.210 -2.909 1.527 1.00 0.00 O ATOM 165 CB ALA A 11 -5.644 -1.623 4.257 1.00 0.00 C ATOM 0 H ALA A 11 -5.339 0.736 3.395 1.00 0.00 H new ATOM 0 HA ALA A 11 -4.112 -1.862 2.759 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.840 -2.692 4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.942 -1.324 5.035 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.577 -1.073 4.380 1.00 0.00 H new ATOM 171 N VAL A 12 -6.676 -0.796 1.159 1.00 0.00 N ATOM 172 CA VAL A 12 -7.648 -1.153 0.090 1.00 0.00 C ATOM 173 C VAL A 12 -7.007 -0.926 -1.282 1.00 0.00 C ATOM 174 O VAL A 12 -7.342 -1.579 -2.249 1.00 0.00 O ATOM 175 CB VAL A 12 -8.902 -0.287 0.228 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.554 1.182 -0.027 1.00 0.00 C ATOM 177 CG2 VAL A 12 -9.952 -0.744 -0.785 1.00 0.00 C ATOM 0 H VAL A 12 -6.571 0.203 1.335 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.925 -2.203 0.186 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.298 -0.391 1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.452 1.791 0.073 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.810 1.511 0.698 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.152 1.291 -1.034 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.845 -0.127 -0.687 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.552 -0.645 -1.794 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -10.209 -1.787 -0.598 1.00 0.00 H new ATOM 187 N LEU A 13 -6.080 -0.011 -1.369 1.00 0.00 N ATOM 188 CA LEU A 13 -5.412 0.248 -2.676 1.00 0.00 C ATOM 189 C LEU A 13 -4.185 -0.652 -2.791 1.00 0.00 C ATOM 190 O LEU A 13 -3.928 -1.241 -3.822 1.00 0.00 O ATOM 191 CB LEU A 13 -4.977 1.712 -2.749 1.00 0.00 C ATOM 192 CG LEU A 13 -6.181 2.589 -3.092 1.00 0.00 C ATOM 193 CD1 LEU A 13 -5.819 4.060 -2.875 1.00 0.00 C ATOM 194 CD2 LEU A 13 -6.569 2.373 -4.557 1.00 0.00 C ATOM 0 H LEU A 13 -5.757 0.567 -0.593 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.105 0.038 -3.491 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -4.548 2.022 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.199 1.834 -3.503 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.020 2.321 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -6.677 4.686 -3.120 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.541 4.216 -1.833 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.980 4.327 -3.518 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -7.428 2.998 -4.802 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.730 2.641 -5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.826 1.326 -4.715 1.00 0.00 H new ATOM 206 N LEU A 14 -3.428 -0.769 -1.736 1.00 0.00 N ATOM 207 CA LEU A 14 -2.222 -1.639 -1.784 1.00 0.00 C ATOM 208 C LEU A 14 -2.651 -3.052 -2.170 1.00 0.00 C ATOM 209 O LEU A 14 -2.251 -3.577 -3.190 1.00 0.00 O ATOM 210 CB LEU A 14 -1.550 -1.649 -0.409 1.00 0.00 C ATOM 211 CG LEU A 14 -0.960 -0.265 -0.132 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.262 -0.259 1.229 1.00 0.00 C ATOM 213 CD2 LEU A 14 0.053 0.078 -1.226 1.00 0.00 C ATOM 0 H LEU A 14 -3.592 -0.301 -0.845 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.513 -1.261 -2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.275 -1.910 0.362 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.766 -2.405 -0.379 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.761 0.474 -0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.156 0.730 1.419 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.983 -0.505 2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.539 -0.998 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 14 0.477 1.064 -1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.850 -0.665 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.445 0.080 -2.195 1.00 0.00 H new ATOM 225 N LYS A 15 -3.478 -3.667 -1.372 1.00 0.00 N ATOM 226 CA LYS A 15 -3.950 -5.041 -1.703 1.00 0.00 C ATOM 227 C LYS A 15 -4.443 -5.064 -3.152 1.00 0.00 C ATOM 228 O LYS A 15 -4.232 -6.016 -3.878 1.00 0.00 O ATOM 229 CB LYS A 15 -5.104 -5.419 -0.771 1.00 0.00 C ATOM 230 CG LYS A 15 -4.563 -6.190 0.433 1.00 0.00 C ATOM 231 CD LYS A 15 -5.733 -6.791 1.217 1.00 0.00 C ATOM 232 CE LYS A 15 -6.292 -7.994 0.457 1.00 0.00 C ATOM 233 NZ LYS A 15 -7.233 -8.745 1.336 1.00 0.00 N ATOM 0 H LYS A 15 -3.848 -3.278 -0.505 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.133 -5.752 -1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.623 -4.521 -0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.833 -6.027 -1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.889 -6.980 0.101 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.984 -5.526 1.074 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.401 -7.097 2.209 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.513 -6.042 1.358 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -6.807 -7.661 -0.444 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.479 -8.645 0.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -7.613 -9.563 0.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -6.728 -9.075 2.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.015 -8.121 1.620 1.00 0.00 H new ATOM 247 N LYS A 16 -5.102 -4.019 -3.575 1.00 0.00 N ATOM 248 CA LYS A 16 -5.617 -3.967 -4.973 1.00 0.00 C ATOM 249 C LYS A 16 -4.469 -4.206 -5.956 1.00 0.00 C ATOM 250 O LYS A 16 -4.549 -5.047 -6.830 1.00 0.00 O ATOM 251 CB LYS A 16 -6.231 -2.589 -5.235 1.00 0.00 C ATOM 252 CG LYS A 16 -7.748 -2.724 -5.392 1.00 0.00 C ATOM 253 CD LYS A 16 -8.063 -3.541 -6.647 1.00 0.00 C ATOM 254 CE LYS A 16 -7.864 -2.668 -7.888 1.00 0.00 C ATOM 255 NZ LYS A 16 -9.156 -2.020 -8.249 1.00 0.00 N ATOM 0 H LYS A 16 -5.307 -3.195 -3.009 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.374 -4.739 -5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.999 -1.914 -4.411 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.799 -2.153 -6.136 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.173 -3.210 -4.513 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.206 -1.737 -5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.414 -4.416 -6.697 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.089 -3.907 -6.608 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.105 -1.909 -7.695 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -7.504 -3.275 -8.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.023 -1.426 -9.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -9.867 -2.752 -8.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.481 -1.429 -7.457 1.00 0.00 H new ATOM 269 N ALA A 17 -3.403 -3.467 -5.824 1.00 0.00 N ATOM 270 CA ALA A 17 -2.249 -3.639 -6.752 1.00 0.00 C ATOM 271 C ALA A 17 -1.884 -5.121 -6.860 1.00 0.00 C ATOM 272 O ALA A 17 -2.045 -5.734 -7.897 1.00 0.00 O ATOM 273 CB ALA A 17 -1.049 -2.857 -6.214 1.00 0.00 C ATOM 0 H ALA A 17 -3.280 -2.748 -5.111 1.00 0.00 H new ATOM 0 HA ALA A 17 -2.521 -3.265 -7.739 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.202 -2.980 -6.889 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.306 -1.800 -6.142 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.783 -3.233 -5.226 1.00 0.00 H new ATOM 279 N ALA A 18 -1.385 -5.698 -5.801 1.00 0.00 N ATOM 280 CA ALA A 18 -1.000 -7.138 -5.845 1.00 0.00 C ATOM 281 C ALA A 18 -2.067 -7.938 -6.595 1.00 0.00 C ATOM 282 O ALA A 18 -1.769 -8.697 -7.495 1.00 0.00 O ATOM 283 CB ALA A 18 -0.870 -7.673 -4.418 1.00 0.00 C ATOM 0 H ALA A 18 -1.227 -5.234 -4.906 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.046 -7.240 -6.362 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.589 -8.726 -4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.105 -7.108 -3.886 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.824 -7.567 -3.901 1.00 0.00 H new ATOM 289 N GLY A 19 -3.310 -7.772 -6.234 1.00 0.00 N ATOM 290 CA GLY A 19 -4.393 -8.524 -6.930 1.00 0.00 C ATOM 291 C GLY A 19 -4.783 -9.747 -6.097 1.00 0.00 C ATOM 292 O GLY A 19 -4.780 -10.862 -6.578 1.00 0.00 O ATOM 0 H GLY A 19 -3.622 -7.150 -5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.260 -7.880 -7.078 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.056 -8.837 -7.918 1.00 0.00 H new ATOM 296 N ILE A 20 -5.117 -9.548 -4.852 1.00 0.00 N ATOM 297 CA ILE A 20 -5.503 -10.700 -3.993 1.00 0.00 C ATOM 298 C ILE A 20 -7.007 -10.651 -3.713 1.00 0.00 C ATOM 299 O ILE A 20 -7.476 -11.144 -2.707 1.00 0.00 O ATOM 300 CB ILE A 20 -4.735 -10.634 -2.673 1.00 0.00 C ATOM 301 CG1 ILE A 20 -3.241 -10.465 -2.961 1.00 0.00 C ATOM 302 CG2 ILE A 20 -4.958 -11.926 -1.888 1.00 0.00 C ATOM 303 CD1 ILE A 20 -2.661 -9.392 -2.036 1.00 0.00 C ATOM 0 H ILE A 20 -5.139 -8.637 -4.393 1.00 0.00 H new ATOM 0 HA ILE A 20 -5.261 -11.630 -4.507 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.092 -9.787 -2.087 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.721 -11.411 -2.809 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.090 -10.182 -4.003 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.410 -11.879 -0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -6.022 -12.048 -1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.601 -12.774 -2.473 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.597 -9.271 -2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.174 -8.446 -2.210 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.799 -9.694 -0.998 1.00 0.00 H new ATOM 315 N GLU A 21 -7.766 -10.061 -4.595 1.00 0.00 N ATOM 316 CA GLU A 21 -9.237 -9.985 -4.377 1.00 0.00 C ATOM 317 C GLU A 21 -9.818 -11.401 -4.338 1.00 0.00 C ATOM 318 O GLU A 21 -9.177 -12.328 -3.886 1.00 0.00 O ATOM 319 CB GLU A 21 -9.879 -9.193 -5.520 1.00 0.00 C ATOM 320 CG GLU A 21 -9.698 -9.953 -6.835 1.00 0.00 C ATOM 321 CD GLU A 21 -10.431 -9.214 -7.955 1.00 0.00 C ATOM 322 OE1 GLU A 21 -11.564 -8.817 -7.735 1.00 0.00 O ATOM 323 OE2 GLU A 21 -9.847 -9.057 -9.015 1.00 0.00 O ATOM 0 H GLU A 21 -7.431 -9.629 -5.456 1.00 0.00 H new ATOM 0 HA GLU A 21 -9.443 -9.485 -3.431 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.939 -9.040 -5.319 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.423 -8.206 -5.593 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.638 -10.040 -7.075 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.087 -10.967 -6.738 1.00 0.00 H new ATOM 330 N SER A 22 -11.024 -11.577 -4.805 1.00 0.00 N ATOM 331 CA SER A 22 -11.636 -12.937 -4.789 1.00 0.00 C ATOM 332 C SER A 22 -10.761 -13.899 -5.595 1.00 0.00 C ATOM 333 O SER A 22 -9.894 -14.561 -5.062 1.00 0.00 O ATOM 334 CB SER A 22 -13.033 -12.881 -5.410 1.00 0.00 C ATOM 335 OG SER A 22 -13.183 -11.662 -6.127 1.00 0.00 O ATOM 0 H SER A 22 -11.611 -10.840 -5.196 1.00 0.00 H new ATOM 0 HA SER A 22 -11.711 -13.286 -3.759 1.00 0.00 H new ATOM 0 HB2 SER A 22 -13.180 -13.729 -6.078 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.792 -12.953 -4.631 1.00 0.00 H new ATOM 0 HG SER A 22 -14.077 -11.626 -6.527 1.00 0.00 H new ATOM 341 N GLY A 23 -10.985 -13.981 -6.878 1.00 0.00 N ATOM 342 CA GLY A 23 -10.170 -14.899 -7.721 1.00 0.00 C ATOM 343 C GLY A 23 -10.858 -15.090 -9.074 1.00 0.00 C ATOM 344 O GLY A 23 -10.220 -15.128 -10.107 1.00 0.00 O ATOM 0 H GLY A 23 -11.698 -13.451 -7.379 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.170 -14.489 -7.863 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.052 -15.861 -7.222 1.00 0.00 H new ATOM 348 N SER A 24 -12.159 -15.206 -9.075 1.00 0.00 N ATOM 349 CA SER A 24 -12.891 -15.391 -10.360 1.00 0.00 C ATOM 350 C SER A 24 -12.558 -16.764 -10.945 1.00 0.00 C ATOM 351 O SER A 24 -12.555 -16.954 -12.145 1.00 0.00 O ATOM 352 CB SER A 24 -12.469 -14.303 -11.348 1.00 0.00 C ATOM 353 OG SER A 24 -13.572 -13.973 -12.182 1.00 0.00 O ATOM 0 H SER A 24 -12.746 -15.181 -8.241 1.00 0.00 H new ATOM 0 HA SER A 24 -13.964 -15.323 -10.179 1.00 0.00 H new ATOM 0 HB2 SER A 24 -12.128 -13.419 -10.809 1.00 0.00 H new ATOM 0 HB3 SER A 24 -11.632 -14.650 -11.953 1.00 0.00 H new ATOM 0 HG SER A 24 -13.306 -13.275 -12.816 1.00 0.00 H new ATOM 359 N GLY A 25 -12.277 -17.725 -10.109 1.00 0.00 N ATOM 360 CA GLY A 25 -11.944 -19.084 -10.623 1.00 0.00 C ATOM 361 C GLY A 25 -10.427 -19.270 -10.622 1.00 0.00 C ATOM 362 O GLY A 25 -9.868 -19.887 -9.738 1.00 0.00 O ATOM 0 H GLY A 25 -12.263 -17.629 -9.094 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -12.415 -19.845 -10.001 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.336 -19.209 -11.632 1.00 0.00 H new ATOM 366 N GLU A 26 -9.754 -18.738 -11.607 1.00 0.00 N ATOM 367 CA GLU A 26 -8.273 -18.884 -11.660 1.00 0.00 C ATOM 368 C GLU A 26 -7.635 -17.949 -10.627 1.00 0.00 C ATOM 369 O GLU A 26 -8.187 -16.918 -10.303 1.00 0.00 O ATOM 370 CB GLU A 26 -7.773 -18.518 -13.059 1.00 0.00 C ATOM 371 CG GLU A 26 -8.292 -19.545 -14.068 1.00 0.00 C ATOM 372 CD GLU A 26 -7.218 -20.607 -14.312 1.00 0.00 C ATOM 373 OE1 GLU A 26 -6.966 -21.386 -13.408 1.00 0.00 O ATOM 374 OE2 GLU A 26 -6.668 -20.623 -15.401 1.00 0.00 O ATOM 0 H GLU A 26 -10.166 -18.209 -12.376 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.999 -19.915 -11.437 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.116 -17.520 -13.330 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.683 -18.496 -13.074 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.202 -20.012 -13.692 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -8.551 -19.052 -15.005 1.00 0.00 H new ATOM 381 N PRO A 27 -6.487 -18.345 -10.138 1.00 0.00 N ATOM 382 CA PRO A 27 -5.743 -17.568 -9.131 1.00 0.00 C ATOM 383 C PRO A 27 -5.022 -16.389 -9.789 1.00 0.00 C ATOM 384 O PRO A 27 -5.559 -15.305 -9.905 1.00 0.00 O ATOM 385 CB PRO A 27 -4.742 -18.578 -8.566 1.00 0.00 C ATOM 386 CG PRO A 27 -4.577 -19.678 -9.642 1.00 0.00 C ATOM 387 CD PRO A 27 -5.825 -19.602 -10.542 1.00 0.00 C ATOM 0 HA PRO A 27 -6.384 -17.137 -8.362 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.787 -18.099 -8.350 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -5.105 -19.002 -7.630 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -3.669 -19.518 -10.224 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -4.491 -20.662 -9.181 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.554 -19.588 -11.598 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.478 -20.462 -10.391 1.00 0.00 H new ATOM 395 N ASN A 28 -3.806 -16.589 -10.221 1.00 0.00 N ATOM 396 CA ASN A 28 -3.053 -15.479 -10.867 1.00 0.00 C ATOM 397 C ASN A 28 -1.750 -16.021 -11.456 1.00 0.00 C ATOM 398 O ASN A 28 -1.529 -15.975 -12.649 1.00 0.00 O ATOM 399 CB ASN A 28 -2.735 -14.401 -9.827 1.00 0.00 C ATOM 400 CG ASN A 28 -2.512 -15.056 -8.463 1.00 0.00 C ATOM 401 OD1 ASN A 28 -3.409 -15.665 -7.915 1.00 0.00 O ATOM 402 ND2 ASN A 28 -1.345 -14.957 -7.889 1.00 0.00 N ATOM 0 H ASN A 28 -3.303 -17.474 -10.154 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.659 -15.046 -11.663 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.846 -13.845 -10.125 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -3.554 -13.685 -9.768 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.185 -15.391 -6.980 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.592 -14.446 -8.349 1.00 0.00 H new ATOM 409 N ARG A 29 -0.890 -16.536 -10.626 1.00 0.00 N ATOM 410 CA ARG A 29 0.400 -17.086 -11.132 1.00 0.00 C ATOM 411 C ARG A 29 0.933 -18.127 -10.148 1.00 0.00 C ATOM 412 O ARG A 29 1.408 -19.177 -10.533 1.00 0.00 O ATOM 413 CB ARG A 29 1.416 -15.951 -11.275 1.00 0.00 C ATOM 414 CG ARG A 29 2.693 -16.488 -11.926 1.00 0.00 C ATOM 415 CD ARG A 29 2.783 -15.985 -13.368 1.00 0.00 C ATOM 416 NE ARG A 29 4.096 -15.314 -13.578 1.00 0.00 N ATOM 417 CZ ARG A 29 4.147 -14.147 -14.161 1.00 0.00 C ATOM 418 NH1 ARG A 29 3.717 -13.086 -13.536 1.00 0.00 N ATOM 419 NH2 ARG A 29 4.631 -14.043 -15.368 1.00 0.00 N ATOM 0 H ARG A 29 -1.023 -16.601 -9.617 1.00 0.00 H new ATOM 0 HA ARG A 29 0.239 -17.555 -12.103 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.997 -15.147 -11.880 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.644 -15.527 -10.297 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.566 -16.162 -11.361 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.691 -17.578 -11.910 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.673 -16.818 -14.063 1.00 0.00 H new ATOM 0 HD3 ARG A 29 1.970 -15.289 -13.573 1.00 0.00 H new ATOM 0 HE ARG A 29 4.955 -15.766 -13.266 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.341 -13.168 -12.591 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.757 -12.174 -13.992 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.969 -14.873 -15.855 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.671 -13.132 -15.825 1.00 0.00 H new ATOM 433 N ASN A 30 0.857 -17.844 -8.879 1.00 0.00 N ATOM 434 CA ASN A 30 1.356 -18.814 -7.865 1.00 0.00 C ATOM 435 C ASN A 30 0.579 -18.630 -6.559 1.00 0.00 C ATOM 436 O ASN A 30 -0.588 -18.289 -6.565 1.00 0.00 O ATOM 437 CB ASN A 30 2.847 -18.571 -7.618 1.00 0.00 C ATOM 438 CG ASN A 30 3.600 -18.634 -8.949 1.00 0.00 C ATOM 439 OD1 ASN A 30 3.760 -17.634 -9.619 1.00 0.00 O ATOM 440 ND2 ASN A 30 4.071 -19.779 -9.365 1.00 0.00 N ATOM 0 H ASN A 30 0.470 -16.980 -8.498 1.00 0.00 H new ATOM 0 HA ASN A 30 1.212 -19.831 -8.230 1.00 0.00 H new ATOM 0 HB2 ASN A 30 2.995 -17.598 -7.149 1.00 0.00 H new ATOM 0 HB3 ASN A 30 3.240 -19.320 -6.930 1.00 0.00 H new ATOM 0 HD21 ASN A 30 4.572 -19.832 -10.252 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.937 -20.620 -8.803 1.00 0.00 H new ATOM 447 N LYS A 31 1.211 -18.851 -5.438 1.00 0.00 N ATOM 448 CA LYS A 31 0.497 -18.689 -4.139 1.00 0.00 C ATOM 449 C LYS A 31 1.065 -17.484 -3.383 1.00 0.00 C ATOM 450 O LYS A 31 1.754 -16.657 -3.945 1.00 0.00 O ATOM 451 CB LYS A 31 0.675 -19.957 -3.299 1.00 0.00 C ATOM 452 CG LYS A 31 -0.601 -20.797 -3.370 1.00 0.00 C ATOM 453 CD LYS A 31 -1.420 -20.594 -2.093 1.00 0.00 C ATOM 454 CE LYS A 31 -1.391 -21.876 -1.260 1.00 0.00 C ATOM 455 NZ LYS A 31 -1.346 -21.528 0.189 1.00 0.00 N ATOM 0 H LYS A 31 2.188 -19.136 -5.365 1.00 0.00 H new ATOM 0 HA LYS A 31 -0.564 -18.524 -4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.524 -20.534 -3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.893 -19.693 -2.264 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.190 -20.510 -4.241 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.349 -21.851 -3.489 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.014 -19.763 -1.516 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.448 -20.334 -2.345 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.273 -22.480 -1.472 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.522 -22.476 -1.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.326 -22.400 0.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.492 -20.968 0.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.189 -20.972 0.439 1.00 0.00 H new ATOM 469 N VAL A 32 0.771 -17.377 -2.113 1.00 0.00 N ATOM 470 CA VAL A 32 1.285 -16.226 -1.315 1.00 0.00 C ATOM 471 C VAL A 32 1.021 -14.922 -2.075 1.00 0.00 C ATOM 472 O VAL A 32 0.442 -14.924 -3.143 1.00 0.00 O ATOM 473 CB VAL A 32 2.789 -16.408 -1.053 1.00 0.00 C ATOM 474 CG1 VAL A 32 3.611 -16.002 -2.284 1.00 0.00 C ATOM 475 CG2 VAL A 32 3.205 -15.547 0.140 1.00 0.00 C ATOM 0 H VAL A 32 0.195 -18.040 -1.593 1.00 0.00 H new ATOM 0 HA VAL A 32 0.770 -16.183 -0.355 1.00 0.00 H new ATOM 0 HB VAL A 32 2.979 -17.460 -0.839 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.672 -16.139 -2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.325 -16.623 -3.133 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.420 -14.955 -2.520 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.271 -15.675 0.327 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.998 -14.499 -0.078 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.643 -15.852 1.023 1.00 0.00 H new ATOM 485 N ALA A 33 1.429 -13.806 -1.534 1.00 0.00 N ATOM 486 CA ALA A 33 1.188 -12.512 -2.233 1.00 0.00 C ATOM 487 C ALA A 33 2.387 -11.582 -2.037 1.00 0.00 C ATOM 488 O ALA A 33 2.551 -10.976 -0.995 1.00 0.00 O ATOM 489 CB ALA A 33 -0.068 -11.851 -1.662 1.00 0.00 C ATOM 0 H ALA A 33 1.917 -13.735 -0.641 1.00 0.00 H new ATOM 0 HA ALA A 33 1.052 -12.700 -3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -0.245 -10.904 -2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.924 -12.509 -1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.070 -11.668 -0.596 1.00 0.00 H new ATOM 495 N THR A 34 3.221 -11.457 -3.032 1.00 0.00 N ATOM 496 CA THR A 34 4.402 -10.559 -2.901 1.00 0.00 C ATOM 497 C THR A 34 4.162 -9.290 -3.720 1.00 0.00 C ATOM 498 O THR A 34 3.495 -9.312 -4.736 1.00 0.00 O ATOM 499 CB THR A 34 5.654 -11.270 -3.416 1.00 0.00 C ATOM 500 OG1 THR A 34 5.273 -12.328 -4.284 1.00 0.00 O ATOM 501 CG2 THR A 34 6.444 -11.833 -2.235 1.00 0.00 C ATOM 0 H THR A 34 3.136 -11.937 -3.928 1.00 0.00 H new ATOM 0 HA THR A 34 4.545 -10.299 -1.852 1.00 0.00 H new ATOM 0 HB THR A 34 6.277 -10.561 -3.961 1.00 0.00 H new ATOM 0 HG1 THR A 34 6.075 -12.783 -4.616 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.336 -12.340 -2.603 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.736 -11.019 -1.572 1.00 0.00 H new ATOM 0 HG23 THR A 34 5.824 -12.542 -1.687 1.00 0.00 H new ATOM 509 N ILE A 35 4.693 -8.182 -3.285 1.00 0.00 N ATOM 510 CA ILE A 35 4.487 -6.914 -4.040 1.00 0.00 C ATOM 511 C ILE A 35 5.832 -6.232 -4.292 1.00 0.00 C ATOM 512 O ILE A 35 6.536 -5.869 -3.372 1.00 0.00 O ATOM 513 CB ILE A 35 3.592 -5.979 -3.227 1.00 0.00 C ATOM 514 CG1 ILE A 35 2.257 -6.671 -2.952 1.00 0.00 C ATOM 515 CG2 ILE A 35 3.347 -4.692 -4.016 1.00 0.00 C ATOM 516 CD1 ILE A 35 1.278 -5.673 -2.331 1.00 0.00 C ATOM 0 H ILE A 35 5.260 -8.099 -2.441 1.00 0.00 H new ATOM 0 HA ILE A 35 4.014 -7.140 -4.996 1.00 0.00 H new ATOM 0 HB ILE A 35 4.079 -5.736 -2.283 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.845 -7.070 -3.879 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.406 -7.516 -2.279 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.709 -4.026 -3.436 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.299 -4.200 -4.215 1.00 0.00 H new ATOM 0 HG23 ILE A 35 2.858 -4.932 -4.960 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.327 -6.169 -2.136 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.689 -5.295 -1.395 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.120 -4.843 -3.019 1.00 0.00 H new ATOM 528 N LYS A 36 6.190 -6.048 -5.532 1.00 0.00 N ATOM 529 CA LYS A 36 7.483 -5.379 -5.836 1.00 0.00 C ATOM 530 C LYS A 36 7.483 -3.987 -5.201 1.00 0.00 C ATOM 531 O LYS A 36 6.443 -3.419 -4.932 1.00 0.00 O ATOM 532 CB LYS A 36 7.649 -5.253 -7.353 1.00 0.00 C ATOM 533 CG LYS A 36 7.898 -6.638 -7.956 1.00 0.00 C ATOM 534 CD LYS A 36 8.549 -6.488 -9.333 1.00 0.00 C ATOM 535 CE LYS A 36 9.434 -7.704 -9.615 1.00 0.00 C ATOM 536 NZ LYS A 36 8.606 -8.942 -9.575 1.00 0.00 N ATOM 0 H LYS A 36 5.644 -6.332 -6.346 1.00 0.00 H new ATOM 0 HA LYS A 36 8.308 -5.967 -5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.755 -4.809 -7.792 1.00 0.00 H new ATOM 0 HB3 LYS A 36 8.482 -4.589 -7.585 1.00 0.00 H new ATOM 0 HG2 LYS A 36 8.543 -7.221 -7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.958 -7.182 -8.044 1.00 0.00 H new ATOM 0 HD2 LYS A 36 7.782 -6.397 -10.102 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.144 -5.576 -9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.909 -7.603 -10.591 1.00 0.00 H new ATOM 0 HE3 LYS A 36 10.233 -7.764 -8.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.146 -9.734 -9.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.354 -9.160 -8.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.738 -8.798 -10.130 1.00 0.00 H new ATOM 550 N ARG A 37 8.636 -3.430 -4.960 1.00 0.00 N ATOM 551 CA ARG A 37 8.697 -2.077 -4.345 1.00 0.00 C ATOM 552 C ARG A 37 8.332 -1.047 -5.406 1.00 0.00 C ATOM 553 O ARG A 37 7.867 0.036 -5.111 1.00 0.00 O ATOM 554 CB ARG A 37 10.118 -1.814 -3.848 1.00 0.00 C ATOM 555 CG ARG A 37 10.066 -1.113 -2.489 1.00 0.00 C ATOM 556 CD ARG A 37 9.532 -2.079 -1.430 1.00 0.00 C ATOM 557 NE ARG A 37 10.498 -2.160 -0.298 1.00 0.00 N ATOM 558 CZ ARG A 37 11.102 -1.081 0.123 1.00 0.00 C ATOM 559 NH1 ARG A 37 10.470 0.062 0.126 1.00 0.00 N ATOM 560 NH2 ARG A 37 12.338 -1.144 0.540 1.00 0.00 N ATOM 0 H ARG A 37 9.541 -3.855 -5.163 1.00 0.00 H new ATOM 0 HA ARG A 37 8.004 -2.012 -3.507 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.664 -2.754 -3.763 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.657 -1.196 -4.567 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.061 -0.766 -2.210 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.426 -0.233 -2.548 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.561 -1.740 -1.070 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.383 -3.067 -1.866 1.00 0.00 H new ATOM 0 HE ARG A 37 10.687 -3.058 0.148 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.505 0.112 -0.200 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.942 0.905 0.455 1.00 0.00 H new ATOM 0 HH21 ARG A 37 12.832 -2.036 0.537 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.809 -0.301 0.869 1.00 0.00 H new ATOM 574 N ASP A 38 8.546 -1.382 -6.646 1.00 0.00 N ATOM 575 CA ASP A 38 8.217 -0.435 -7.743 1.00 0.00 C ATOM 576 C ASP A 38 6.697 -0.279 -7.842 1.00 0.00 C ATOM 577 O ASP A 38 6.195 0.719 -8.316 1.00 0.00 O ATOM 578 CB ASP A 38 8.762 -0.977 -9.065 1.00 0.00 C ATOM 579 CG ASP A 38 10.213 -1.420 -8.873 1.00 0.00 C ATOM 580 OD1 ASP A 38 11.078 -0.561 -8.872 1.00 0.00 O ATOM 581 OD2 ASP A 38 10.434 -2.611 -8.731 1.00 0.00 O ATOM 0 H ASP A 38 8.936 -2.275 -6.947 1.00 0.00 H new ATOM 0 HA ASP A 38 8.669 0.535 -7.535 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.156 -1.817 -9.404 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.704 -0.210 -9.837 1.00 0.00 H new ATOM 586 N LYS A 39 5.962 -1.262 -7.397 1.00 0.00 N ATOM 587 CA LYS A 39 4.476 -1.169 -7.466 1.00 0.00 C ATOM 588 C LYS A 39 3.939 -0.577 -6.162 1.00 0.00 C ATOM 589 O LYS A 39 3.225 0.406 -6.165 1.00 0.00 O ATOM 590 CB LYS A 39 3.886 -2.565 -7.668 1.00 0.00 C ATOM 591 CG LYS A 39 2.360 -2.479 -7.627 1.00 0.00 C ATOM 592 CD LYS A 39 1.763 -3.632 -8.434 1.00 0.00 C ATOM 593 CE LYS A 39 1.387 -3.135 -9.829 1.00 0.00 C ATOM 594 NZ LYS A 39 -0.076 -3.326 -10.046 1.00 0.00 N ATOM 0 H LYS A 39 6.326 -2.124 -6.990 1.00 0.00 H new ATOM 0 HA LYS A 39 4.193 -0.528 -8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.213 -2.976 -8.623 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.245 -3.240 -6.891 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.010 -2.523 -6.596 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.028 -1.525 -8.036 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.481 -4.448 -8.508 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.883 -4.027 -7.927 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.647 -2.082 -9.934 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.952 -3.680 -10.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.333 -2.988 -10.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -0.310 -4.336 -9.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.606 -2.788 -9.331 1.00 0.00 H new ATOM 608 N VAL A 40 4.275 -1.168 -5.047 1.00 0.00 N ATOM 609 CA VAL A 40 3.777 -0.632 -3.750 1.00 0.00 C ATOM 610 C VAL A 40 4.155 0.851 -3.654 1.00 0.00 C ATOM 611 O VAL A 40 3.375 1.677 -3.220 1.00 0.00 O ATOM 612 CB VAL A 40 4.396 -1.444 -2.592 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.571 -0.693 -1.952 1.00 0.00 C ATOM 614 CG2 VAL A 40 3.325 -1.703 -1.531 1.00 0.00 C ATOM 0 H VAL A 40 4.869 -1.994 -4.979 1.00 0.00 H new ATOM 0 HA VAL A 40 2.693 -0.722 -3.686 1.00 0.00 H new ATOM 0 HB VAL A 40 4.769 -2.386 -2.994 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.986 -1.290 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.342 -0.516 -2.702 1.00 0.00 H new ATOM 0 HG13 VAL A 40 5.222 0.262 -1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.757 -2.276 -0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.951 -0.752 -1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.503 -2.266 -1.974 1.00 0.00 H new ATOM 624 N ARG A 41 5.346 1.192 -4.067 1.00 0.00 N ATOM 625 CA ARG A 41 5.778 2.616 -4.013 1.00 0.00 C ATOM 626 C ARG A 41 4.938 3.427 -4.999 1.00 0.00 C ATOM 627 O ARG A 41 4.677 4.596 -4.796 1.00 0.00 O ATOM 628 CB ARG A 41 7.258 2.718 -4.397 1.00 0.00 C ATOM 629 CG ARG A 41 7.688 4.187 -4.402 1.00 0.00 C ATOM 630 CD ARG A 41 8.159 4.577 -5.806 1.00 0.00 C ATOM 631 NE ARG A 41 9.646 4.685 -5.821 1.00 0.00 N ATOM 632 CZ ARG A 41 10.270 4.937 -6.940 1.00 0.00 C ATOM 633 NH1 ARG A 41 10.029 6.044 -7.587 1.00 0.00 N ATOM 634 NH2 ARG A 41 11.136 4.081 -7.413 1.00 0.00 N ATOM 0 H ARG A 41 6.039 0.543 -4.440 1.00 0.00 H new ATOM 0 HA ARG A 41 5.642 3.005 -3.004 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.867 2.153 -3.691 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.420 2.278 -5.381 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.856 4.821 -4.097 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.490 4.345 -3.681 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.831 3.832 -6.531 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.712 5.527 -6.100 1.00 0.00 H new ATOM 0 HE ARG A 41 10.175 4.562 -4.958 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.353 6.713 -7.219 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.517 6.240 -8.461 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.325 3.215 -6.908 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.623 4.279 -8.287 1.00 0.00 H new ATOM 648 N GLU A 42 4.509 2.810 -6.067 1.00 0.00 N ATOM 649 CA GLU A 42 3.682 3.537 -7.067 1.00 0.00 C ATOM 650 C GLU A 42 2.423 4.075 -6.383 1.00 0.00 C ATOM 651 O GLU A 42 2.108 5.244 -6.469 1.00 0.00 O ATOM 652 CB GLU A 42 3.284 2.578 -8.192 1.00 0.00 C ATOM 653 CG GLU A 42 3.725 3.156 -9.539 1.00 0.00 C ATOM 654 CD GLU A 42 2.948 2.474 -10.665 1.00 0.00 C ATOM 655 OE1 GLU A 42 3.108 1.275 -10.826 1.00 0.00 O ATOM 656 OE2 GLU A 42 2.207 3.161 -11.349 1.00 0.00 O ATOM 0 H GLU A 42 4.697 1.832 -6.289 1.00 0.00 H new ATOM 0 HA GLU A 42 4.254 4.366 -7.484 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.747 1.604 -8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.205 2.423 -8.187 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.549 4.231 -9.561 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.796 3.006 -9.678 1.00 0.00 H new ATOM 663 N ILE A 43 1.705 3.228 -5.696 1.00 0.00 N ATOM 664 CA ILE A 43 0.472 3.692 -5.000 1.00 0.00 C ATOM 665 C ILE A 43 0.841 4.781 -3.991 1.00 0.00 C ATOM 666 O ILE A 43 0.246 5.842 -3.958 1.00 0.00 O ATOM 667 CB ILE A 43 -0.175 2.516 -4.265 1.00 0.00 C ATOM 668 CG1 ILE A 43 -0.763 1.539 -5.284 1.00 0.00 C ATOM 669 CG2 ILE A 43 -1.293 3.033 -3.356 1.00 0.00 C ATOM 670 CD1 ILE A 43 -1.416 0.366 -4.550 1.00 0.00 C ATOM 0 H ILE A 43 1.919 2.237 -5.587 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.230 4.092 -5.731 1.00 0.00 H new ATOM 0 HB ILE A 43 0.578 2.007 -3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.499 2.047 -5.907 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.021 1.175 -5.948 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.753 2.195 -2.833 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.877 3.731 -2.629 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.045 3.542 -3.958 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.835 -0.330 -5.277 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.668 -0.147 -3.946 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.211 0.738 -3.904 1.00 0.00 H new ATOM 682 N ALA A 44 1.821 4.529 -3.166 1.00 0.00 N ATOM 683 CA ALA A 44 2.229 5.550 -2.161 1.00 0.00 C ATOM 684 C ALA A 44 2.558 6.860 -2.877 1.00 0.00 C ATOM 685 O ALA A 44 2.436 7.933 -2.318 1.00 0.00 O ATOM 686 CB ALA A 44 3.462 5.056 -1.403 1.00 0.00 C ATOM 0 H ALA A 44 2.356 3.661 -3.145 1.00 0.00 H new ATOM 0 HA ALA A 44 1.415 5.715 -1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.761 5.803 -0.668 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.226 4.121 -0.895 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.279 4.891 -2.105 1.00 0.00 H new ATOM 692 N GLU A 45 2.971 6.783 -4.112 1.00 0.00 N ATOM 693 CA GLU A 45 3.303 8.024 -4.866 1.00 0.00 C ATOM 694 C GLU A 45 2.009 8.770 -5.197 1.00 0.00 C ATOM 695 O GLU A 45 1.919 9.973 -5.051 1.00 0.00 O ATOM 696 CB GLU A 45 4.026 7.658 -6.164 1.00 0.00 C ATOM 697 CG GLU A 45 5.302 8.491 -6.290 1.00 0.00 C ATOM 698 CD GLU A 45 5.546 8.825 -7.762 1.00 0.00 C ATOM 699 OE1 GLU A 45 4.883 8.236 -8.600 1.00 0.00 O ATOM 700 OE2 GLU A 45 6.391 9.663 -8.027 1.00 0.00 O ATOM 0 H GLU A 45 3.093 5.914 -4.632 1.00 0.00 H new ATOM 0 HA GLU A 45 3.950 8.658 -4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.271 6.596 -6.169 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.375 7.839 -7.019 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.210 9.408 -5.708 1.00 0.00 H new ATOM 0 HG3 GLU A 45 6.151 7.940 -5.885 1.00 0.00 H new ATOM 707 N LEU A 46 1.005 8.063 -5.638 1.00 0.00 N ATOM 708 CA LEU A 46 -0.285 8.726 -5.975 1.00 0.00 C ATOM 709 C LEU A 46 -0.924 9.261 -4.693 1.00 0.00 C ATOM 710 O LEU A 46 -1.815 10.086 -4.727 1.00 0.00 O ATOM 711 CB LEU A 46 -1.225 7.712 -6.629 1.00 0.00 C ATOM 712 CG LEU A 46 -1.575 8.180 -8.042 1.00 0.00 C ATOM 713 CD1 LEU A 46 -0.837 7.314 -9.064 1.00 0.00 C ATOM 714 CD2 LEU A 46 -3.084 8.053 -8.262 1.00 0.00 C ATOM 0 H LEU A 46 1.023 7.053 -5.780 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.105 9.549 -6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.751 6.731 -6.666 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.132 7.605 -6.035 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.276 9.221 -8.164 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.086 7.648 -10.071 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.238 7.403 -8.908 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.136 6.273 -8.942 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -3.334 8.386 -9.269 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.383 7.012 -8.140 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.611 8.670 -7.534 1.00 0.00 H new ATOM 726 N LYS A 47 -0.475 8.793 -3.561 1.00 0.00 N ATOM 727 CA LYS A 47 -1.053 9.271 -2.273 1.00 0.00 C ATOM 728 C LYS A 47 -0.025 10.137 -1.544 1.00 0.00 C ATOM 729 O LYS A 47 -0.276 10.645 -0.469 1.00 0.00 O ATOM 730 CB LYS A 47 -1.409 8.068 -1.396 1.00 0.00 C ATOM 731 CG LYS A 47 -1.933 6.924 -2.267 1.00 0.00 C ATOM 732 CD LYS A 47 -3.359 6.582 -1.842 1.00 0.00 C ATOM 733 CE LYS A 47 -3.338 5.366 -0.913 1.00 0.00 C ATOM 734 NZ LYS A 47 -3.873 5.755 0.423 1.00 0.00 N ATOM 0 H LYS A 47 0.268 8.100 -3.472 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.950 9.857 -2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.531 7.740 -0.840 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.163 8.353 -0.662 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.913 7.213 -3.318 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.291 6.049 -2.165 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.812 7.433 -1.334 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.971 6.372 -2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.938 4.560 -1.337 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.321 4.988 -0.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.517 5.096 1.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.564 6.721 0.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.912 5.720 0.405 1.00 0.00 H new ATOM 748 N MET A 48 1.136 10.300 -2.115 1.00 0.00 N ATOM 749 CA MET A 48 2.188 11.122 -1.453 1.00 0.00 C ATOM 750 C MET A 48 1.571 12.434 -0.939 1.00 0.00 C ATOM 751 O MET A 48 1.659 12.732 0.236 1.00 0.00 O ATOM 752 CB MET A 48 3.328 11.394 -2.457 1.00 0.00 C ATOM 753 CG MET A 48 3.896 12.807 -2.273 1.00 0.00 C ATOM 754 SD MET A 48 5.593 12.865 -2.900 1.00 0.00 S ATOM 755 CE MET A 48 6.424 12.908 -1.294 1.00 0.00 C ATOM 0 H MET A 48 1.402 9.898 -3.014 1.00 0.00 H new ATOM 0 HA MET A 48 2.602 10.586 -0.599 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.121 10.659 -2.321 1.00 0.00 H new ATOM 0 HB3 MET A 48 2.957 11.277 -3.475 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.277 13.531 -2.803 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.877 13.083 -1.219 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.503 12.947 -1.444 1.00 0.00 H new ATOM 0 HE2 MET A 48 6.102 13.791 -0.741 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.168 12.012 -0.728 1.00 0.00 H new ATOM 765 N PRO A 49 0.969 13.181 -1.831 1.00 0.00 N ATOM 766 CA PRO A 49 0.335 14.466 -1.485 1.00 0.00 C ATOM 767 C PRO A 49 -1.008 14.227 -0.794 1.00 0.00 C ATOM 768 O PRO A 49 -1.507 15.069 -0.074 1.00 0.00 O ATOM 769 CB PRO A 49 0.137 15.145 -2.843 1.00 0.00 C ATOM 770 CG PRO A 49 0.132 14.015 -3.897 1.00 0.00 C ATOM 771 CD PRO A 49 0.861 12.817 -3.258 1.00 0.00 C ATOM 0 HA PRO A 49 0.929 15.067 -0.796 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.800 15.702 -2.866 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.937 15.858 -3.041 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.888 13.746 -4.173 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.636 14.334 -4.810 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.301 11.892 -3.392 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.843 12.663 -3.706 1.00 0.00 H new ATOM 779 N ASP A 50 -1.598 13.084 -1.010 1.00 0.00 N ATOM 780 CA ASP A 50 -2.910 12.790 -0.371 1.00 0.00 C ATOM 781 C ASP A 50 -2.742 12.722 1.149 1.00 0.00 C ATOM 782 O ASP A 50 -3.704 12.764 1.890 1.00 0.00 O ATOM 783 CB ASP A 50 -3.433 11.448 -0.885 1.00 0.00 C ATOM 784 CG ASP A 50 -3.899 11.601 -2.334 1.00 0.00 C ATOM 785 OD1 ASP A 50 -3.927 12.723 -2.812 1.00 0.00 O ATOM 786 OD2 ASP A 50 -4.220 10.592 -2.941 1.00 0.00 O ATOM 0 H ASP A 50 -1.227 12.341 -1.602 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.618 13.580 -0.619 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.650 10.693 -0.822 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -4.258 11.105 -0.261 1.00 0.00 H new ATOM 791 N LEU A 51 -1.530 12.616 1.621 1.00 0.00 N ATOM 792 CA LEU A 51 -1.313 12.544 3.097 1.00 0.00 C ATOM 793 C LEU A 51 -0.221 13.535 3.506 1.00 0.00 C ATOM 794 O LEU A 51 0.309 13.471 4.598 1.00 0.00 O ATOM 795 CB LEU A 51 -0.895 11.122 3.502 1.00 0.00 C ATOM 796 CG LEU A 51 -0.363 10.358 2.286 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.662 9.319 2.743 1.00 0.00 C ATOM 798 CD2 LEU A 51 -1.523 9.650 1.583 1.00 0.00 C ATOM 0 H LEU A 51 -0.684 12.576 1.053 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.244 12.798 3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.128 11.167 4.275 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.747 10.593 3.928 1.00 0.00 H new ATOM 0 HG LEU A 51 0.110 11.058 1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.040 8.776 1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.489 9.820 3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.189 8.619 3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.146 9.106 0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.995 8.951 2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.256 10.388 1.257 1.00 0.00 H new ATOM 810 N ASN A 52 0.117 14.454 2.643 1.00 0.00 N ATOM 811 CA ASN A 52 1.170 15.451 2.988 1.00 0.00 C ATOM 812 C ASN A 52 2.342 14.746 3.675 1.00 0.00 C ATOM 813 O ASN A 52 3.004 15.310 4.523 1.00 0.00 O ATOM 814 CB ASN A 52 0.585 16.501 3.935 1.00 0.00 C ATOM 815 CG ASN A 52 0.778 17.896 3.340 1.00 0.00 C ATOM 816 OD1 ASN A 52 0.628 18.089 2.149 1.00 0.00 O ATOM 817 ND2 ASN A 52 1.107 18.886 4.125 1.00 0.00 N ATOM 0 H ASN A 52 -0.291 14.557 1.714 1.00 0.00 H new ATOM 0 HA ASN A 52 1.522 15.934 2.077 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.475 16.308 4.097 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.073 16.439 4.908 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.238 19.821 3.739 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.233 18.724 5.124 1.00 0.00 H new ATOM 824 N ALA A 53 2.603 13.519 3.319 1.00 0.00 N ATOM 825 CA ALA A 53 3.734 12.786 3.958 1.00 0.00 C ATOM 826 C ALA A 53 5.018 13.606 3.811 1.00 0.00 C ATOM 827 O ALA A 53 5.226 14.274 2.817 1.00 0.00 O ATOM 828 CB ALA A 53 3.913 11.431 3.271 1.00 0.00 C ATOM 0 H ALA A 53 2.085 12.993 2.616 1.00 0.00 H new ATOM 0 HA ALA A 53 3.519 12.632 5.016 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.739 10.893 3.736 1.00 0.00 H new ATOM 0 HB2 ALA A 53 2.998 10.848 3.372 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.130 11.585 2.214 1.00 0.00 H new ATOM 834 N ALA A 54 5.883 13.560 4.790 1.00 0.00 N ATOM 835 CA ALA A 54 7.152 14.337 4.699 1.00 0.00 C ATOM 836 C ALA A 54 7.741 14.175 3.298 1.00 0.00 C ATOM 837 O ALA A 54 8.380 15.066 2.774 1.00 0.00 O ATOM 838 CB ALA A 54 8.151 13.813 5.734 1.00 0.00 C ATOM 0 H ALA A 54 5.765 13.019 5.647 1.00 0.00 H new ATOM 0 HA ALA A 54 6.949 15.390 4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.078 14.382 5.666 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.731 13.923 6.734 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.357 12.760 5.541 1.00 0.00 H new ATOM 844 N SER A 55 7.527 13.042 2.687 1.00 0.00 N ATOM 845 CA SER A 55 8.068 12.817 1.318 1.00 0.00 C ATOM 846 C SER A 55 7.774 11.378 0.889 1.00 0.00 C ATOM 847 O SER A 55 7.038 10.665 1.539 1.00 0.00 O ATOM 848 CB SER A 55 9.579 13.048 1.320 1.00 0.00 C ATOM 849 OG SER A 55 10.184 12.199 2.285 1.00 0.00 O ATOM 0 H SER A 55 7.000 12.261 3.078 1.00 0.00 H new ATOM 0 HA SER A 55 7.597 13.511 0.622 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.991 12.845 0.331 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.798 14.091 1.548 1.00 0.00 H new ATOM 0 HG SER A 55 11.153 12.344 2.287 1.00 0.00 H new ATOM 855 N ILE A 56 8.345 10.946 -0.202 1.00 0.00 N ATOM 856 CA ILE A 56 8.099 9.552 -0.668 1.00 0.00 C ATOM 857 C ILE A 56 8.605 8.567 0.384 1.00 0.00 C ATOM 858 O ILE A 56 7.907 7.657 0.781 1.00 0.00 O ATOM 859 CB ILE A 56 8.846 9.314 -1.974 1.00 0.00 C ATOM 860 CG1 ILE A 56 8.234 10.178 -3.079 1.00 0.00 C ATOM 861 CG2 ILE A 56 8.746 7.838 -2.361 1.00 0.00 C ATOM 862 CD1 ILE A 56 6.876 9.604 -3.487 1.00 0.00 C ATOM 0 H ILE A 56 8.970 11.497 -0.790 1.00 0.00 H new ATOM 0 HA ILE A 56 7.030 9.407 -0.824 1.00 0.00 H new ATOM 0 HB ILE A 56 9.895 9.582 -1.845 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.116 11.204 -2.729 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.900 10.210 -3.941 1.00 0.00 H new ATOM 0 HG21 ILE A 56 9.281 7.670 -3.296 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.187 7.225 -1.575 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.698 7.565 -2.489 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.442 10.221 -4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.007 8.586 -3.854 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.210 9.596 -2.624 1.00 0.00 H new ATOM 874 N GLU A 57 9.814 8.739 0.844 1.00 0.00 N ATOM 875 CA GLU A 57 10.346 7.808 1.876 1.00 0.00 C ATOM 876 C GLU A 57 9.347 7.741 3.029 1.00 0.00 C ATOM 877 O GLU A 57 9.317 6.793 3.788 1.00 0.00 O ATOM 878 CB GLU A 57 11.694 8.320 2.389 1.00 0.00 C ATOM 879 CG GLU A 57 12.809 7.836 1.459 1.00 0.00 C ATOM 880 CD GLU A 57 14.132 8.489 1.865 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.701 8.063 2.856 1.00 0.00 O ATOM 882 OE2 GLU A 57 14.553 9.404 1.177 1.00 0.00 O ATOM 0 H GLU A 57 10.452 9.479 0.552 1.00 0.00 H new ATOM 0 HA GLU A 57 10.488 6.816 1.447 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.689 9.409 2.433 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.870 7.961 3.403 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.896 6.751 1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 57 12.570 8.087 0.426 1.00 0.00 H new ATOM 889 N ALA A 58 8.522 8.744 3.159 1.00 0.00 N ATOM 890 CA ALA A 58 7.515 8.746 4.253 1.00 0.00 C ATOM 891 C ALA A 58 6.250 8.033 3.775 1.00 0.00 C ATOM 892 O ALA A 58 5.567 7.382 4.542 1.00 0.00 O ATOM 893 CB ALA A 58 7.173 10.189 4.633 1.00 0.00 C ATOM 0 H ALA A 58 8.504 9.563 2.552 1.00 0.00 H new ATOM 0 HA ALA A 58 7.921 8.230 5.123 1.00 0.00 H new ATOM 0 HB1 ALA A 58 6.435 10.189 5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 58 8.075 10.700 4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 58 6.765 10.707 3.765 1.00 0.00 H new ATOM 899 N ALA A 59 5.929 8.144 2.513 1.00 0.00 N ATOM 900 CA ALA A 59 4.705 7.465 2.001 1.00 0.00 C ATOM 901 C ALA A 59 4.912 5.948 2.041 1.00 0.00 C ATOM 902 O ALA A 59 4.133 5.219 2.624 1.00 0.00 O ATOM 903 CB ALA A 59 4.436 7.909 0.561 1.00 0.00 C ATOM 0 H ALA A 59 6.458 8.672 1.819 1.00 0.00 H new ATOM 0 HA ALA A 59 3.852 7.732 2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.541 7.412 0.188 1.00 0.00 H new ATOM 0 HB2 ALA A 59 4.289 8.989 0.535 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.287 7.643 -0.067 1.00 0.00 H new ATOM 909 N MET A 60 5.958 5.467 1.426 1.00 0.00 N ATOM 910 CA MET A 60 6.218 4.000 1.428 1.00 0.00 C ATOM 911 C MET A 60 6.221 3.477 2.867 1.00 0.00 C ATOM 912 O MET A 60 6.074 2.295 3.104 1.00 0.00 O ATOM 913 CB MET A 60 7.579 3.724 0.785 1.00 0.00 C ATOM 914 CG MET A 60 7.602 4.301 -0.631 1.00 0.00 C ATOM 915 SD MET A 60 9.295 4.772 -1.062 1.00 0.00 S ATOM 916 CE MET A 60 9.909 3.106 -1.407 1.00 0.00 C ATOM 0 H MET A 60 6.645 6.028 0.922 1.00 0.00 H new ATOM 0 HA MET A 60 5.435 3.495 0.862 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.373 4.170 1.384 1.00 0.00 H new ATOM 0 HB3 MET A 60 7.768 2.651 0.755 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.226 3.565 -1.341 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.945 5.168 -0.693 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.791 2.910 -0.798 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.135 2.376 -1.169 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.171 3.026 -2.462 1.00 0.00 H new ATOM 926 N ARG A 61 6.390 4.343 3.829 1.00 0.00 N ATOM 927 CA ARG A 61 6.402 3.881 5.246 1.00 0.00 C ATOM 928 C ARG A 61 5.035 3.291 5.598 1.00 0.00 C ATOM 929 O ARG A 61 4.937 2.207 6.139 1.00 0.00 O ATOM 930 CB ARG A 61 6.713 5.059 6.172 1.00 0.00 C ATOM 931 CG ARG A 61 7.835 4.665 7.137 1.00 0.00 C ATOM 932 CD ARG A 61 8.762 5.861 7.367 1.00 0.00 C ATOM 933 NE ARG A 61 9.997 5.406 8.070 1.00 0.00 N ATOM 934 CZ ARG A 61 11.134 5.359 7.430 1.00 0.00 C ATOM 935 NH1 ARG A 61 11.796 6.458 7.193 1.00 0.00 N ATOM 936 NH2 ARG A 61 11.609 4.212 7.029 1.00 0.00 N ATOM 0 H ARG A 61 6.520 5.346 3.696 1.00 0.00 H new ATOM 0 HA ARG A 61 7.170 3.118 5.373 1.00 0.00 H new ATOM 0 HB2 ARG A 61 7.011 5.928 5.585 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.821 5.342 6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.412 4.333 8.085 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.401 3.827 6.729 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.022 6.322 6.414 1.00 0.00 H new ATOM 0 HD3 ARG A 61 8.252 6.621 7.960 1.00 0.00 H new ATOM 0 HE ARG A 61 9.953 5.131 9.051 1.00 0.00 H new ATOM 0 HH11 ARG A 61 11.425 7.355 7.508 1.00 0.00 H new ATOM 0 HH12 ARG A 61 12.684 6.421 6.693 1.00 0.00 H new ATOM 0 HH21 ARG A 61 11.092 3.353 7.216 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.497 4.175 6.529 1.00 0.00 H new ATOM 950 N MET A 62 3.980 3.990 5.287 1.00 0.00 N ATOM 951 CA MET A 62 2.621 3.460 5.593 1.00 0.00 C ATOM 952 C MET A 62 2.294 2.336 4.611 1.00 0.00 C ATOM 953 O MET A 62 1.495 1.464 4.889 1.00 0.00 O ATOM 954 CB MET A 62 1.586 4.580 5.451 1.00 0.00 C ATOM 955 CG MET A 62 2.081 5.830 6.178 1.00 0.00 C ATOM 956 SD MET A 62 0.893 7.176 5.942 1.00 0.00 S ATOM 957 CE MET A 62 2.097 8.508 5.712 1.00 0.00 C ATOM 0 H MET A 62 3.999 4.904 4.835 1.00 0.00 H new ATOM 0 HA MET A 62 2.597 3.079 6.614 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.418 4.802 4.397 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.630 4.260 5.866 1.00 0.00 H new ATOM 0 HG2 MET A 62 2.204 5.621 7.241 1.00 0.00 H new ATOM 0 HG3 MET A 62 3.059 6.123 5.796 1.00 0.00 H new ATOM 0 HE1 MET A 62 1.572 9.449 5.547 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.721 8.592 6.602 1.00 0.00 H new ATOM 0 HE3 MET A 62 2.724 8.287 4.848 1.00 0.00 H new ATOM 967 N ILE A 63 2.912 2.352 3.463 1.00 0.00 N ATOM 968 CA ILE A 63 2.652 1.287 2.453 1.00 0.00 C ATOM 969 C ILE A 63 3.289 -0.019 2.924 1.00 0.00 C ATOM 970 O ILE A 63 2.828 -1.096 2.604 1.00 0.00 O ATOM 971 CB ILE A 63 3.258 1.710 1.113 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.506 2.932 0.567 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.155 0.559 0.112 1.00 0.00 C ATOM 974 CD1 ILE A 63 0.999 2.753 0.768 1.00 0.00 C ATOM 0 H ILE A 63 3.589 3.060 3.179 1.00 0.00 H new ATOM 0 HA ILE A 63 1.579 1.139 2.333 1.00 0.00 H new ATOM 0 HB ILE A 63 4.307 1.967 1.261 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.844 3.835 1.076 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.727 3.062 -0.492 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.588 0.865 -0.840 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.696 -0.306 0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.107 0.296 -0.033 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.474 3.625 0.378 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.665 1.861 0.239 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.784 2.646 1.831 1.00 0.00 H new ATOM 986 N GLU A 64 4.341 0.066 3.686 1.00 0.00 N ATOM 987 CA GLU A 64 5.000 -1.173 4.182 1.00 0.00 C ATOM 988 C GLU A 64 4.282 -1.660 5.443 1.00 0.00 C ATOM 989 O GLU A 64 4.015 -2.834 5.601 1.00 0.00 O ATOM 990 CB GLU A 64 6.464 -0.876 4.513 1.00 0.00 C ATOM 991 CG GLU A 64 7.369 -1.790 3.683 1.00 0.00 C ATOM 992 CD GLU A 64 8.121 -2.750 4.607 1.00 0.00 C ATOM 993 OE1 GLU A 64 7.806 -2.779 5.786 1.00 0.00 O ATOM 994 OE2 GLU A 64 9.000 -3.441 4.120 1.00 0.00 O ATOM 0 H GLU A 64 4.774 0.939 3.987 1.00 0.00 H new ATOM 0 HA GLU A 64 4.951 -1.944 3.413 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.691 0.169 4.301 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.647 -1.033 5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.773 -2.353 2.965 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.078 -1.192 3.109 1.00 0.00 H new ATOM 1001 N GLY A 65 3.969 -0.769 6.343 1.00 0.00 N ATOM 1002 CA GLY A 65 3.274 -1.185 7.596 1.00 0.00 C ATOM 1003 C GLY A 65 1.876 -1.714 7.268 1.00 0.00 C ATOM 1004 O GLY A 65 1.384 -2.624 7.904 1.00 0.00 O ATOM 0 H GLY A 65 4.164 0.229 6.266 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.853 -1.956 8.104 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.201 -0.339 8.279 1.00 0.00 H new ATOM 1008 N THR A 66 1.229 -1.153 6.284 1.00 0.00 N ATOM 1009 CA THR A 66 -0.139 -1.628 5.925 1.00 0.00 C ATOM 1010 C THR A 66 -0.035 -2.781 4.925 1.00 0.00 C ATOM 1011 O THR A 66 -0.791 -3.730 4.978 1.00 0.00 O ATOM 1012 CB THR A 66 -0.931 -0.477 5.301 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.655 0.724 6.009 1.00 0.00 O ATOM 1014 CG2 THR A 66 -2.427 -0.785 5.376 1.00 0.00 C ATOM 0 H THR A 66 1.587 -0.387 5.713 1.00 0.00 H new ATOM 0 HA THR A 66 -0.650 -1.975 6.823 1.00 0.00 H new ATOM 0 HB THR A 66 -0.640 -0.358 4.257 1.00 0.00 H new ATOM 0 HG1 THR A 66 -0.015 1.264 5.500 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.990 0.035 4.931 1.00 0.00 H new ATOM 0 HG22 THR A 66 -2.637 -1.706 4.832 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.722 -0.904 6.418 1.00 0.00 H new ATOM 1022 N ALA A 67 0.898 -2.707 4.016 1.00 0.00 N ATOM 1023 CA ALA A 67 1.048 -3.801 3.016 1.00 0.00 C ATOM 1024 C ALA A 67 1.897 -4.926 3.615 1.00 0.00 C ATOM 1025 O ALA A 67 2.257 -5.871 2.940 1.00 0.00 O ATOM 1026 CB ALA A 67 1.730 -3.255 1.759 1.00 0.00 C ATOM 0 H ALA A 67 1.562 -1.938 3.923 1.00 0.00 H new ATOM 0 HA ALA A 67 0.065 -4.191 2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.840 -4.056 1.028 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.123 -2.456 1.334 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.714 -2.864 2.019 1.00 0.00 H new ATOM 1032 N ARG A 68 2.218 -4.835 4.879 1.00 0.00 N ATOM 1033 CA ARG A 68 3.039 -5.902 5.522 1.00 0.00 C ATOM 1034 C ARG A 68 2.327 -6.408 6.780 1.00 0.00 C ATOM 1035 O ARG A 68 2.440 -7.560 7.147 1.00 0.00 O ATOM 1036 CB ARG A 68 4.408 -5.337 5.906 1.00 0.00 C ATOM 1037 CG ARG A 68 5.363 -6.486 6.233 1.00 0.00 C ATOM 1038 CD ARG A 68 6.604 -5.934 6.936 1.00 0.00 C ATOM 1039 NE ARG A 68 6.386 -5.945 8.410 1.00 0.00 N ATOM 1040 CZ ARG A 68 6.195 -4.823 9.050 1.00 0.00 C ATOM 1041 NH1 ARG A 68 7.142 -3.926 9.089 1.00 0.00 N ATOM 1042 NH2 ARG A 68 5.059 -4.599 9.651 1.00 0.00 N ATOM 0 H ARG A 68 1.947 -4.067 5.494 1.00 0.00 H new ATOM 0 HA ARG A 68 3.171 -6.726 4.821 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.809 -4.739 5.087 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.311 -4.675 6.766 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.865 -7.216 6.871 1.00 0.00 H new ATOM 0 HG3 ARG A 68 5.651 -7.005 5.319 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.477 -6.536 6.682 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.807 -4.919 6.595 1.00 0.00 H new ATOM 0 HE ARG A 68 6.386 -6.829 8.919 1.00 0.00 H new ATOM 0 HH11 ARG A 68 8.030 -4.102 8.620 1.00 0.00 H new ATOM 0 HH12 ARG A 68 6.994 -3.049 9.589 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.319 -5.301 9.621 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.911 -3.722 10.151 1.00 0.00 H new ATOM 1056 N SER A 69 1.596 -5.555 7.444 1.00 0.00 N ATOM 1057 CA SER A 69 0.880 -5.989 8.677 1.00 0.00 C ATOM 1058 C SER A 69 -0.479 -6.585 8.304 1.00 0.00 C ATOM 1059 O SER A 69 -1.354 -6.723 9.135 1.00 0.00 O ATOM 1060 CB SER A 69 0.669 -4.783 9.593 1.00 0.00 C ATOM 1061 OG SER A 69 1.931 -4.310 10.047 1.00 0.00 O ATOM 0 H SER A 69 1.464 -4.577 7.186 1.00 0.00 H new ATOM 0 HA SER A 69 1.476 -6.743 9.192 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.143 -3.993 9.057 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.045 -5.062 10.442 1.00 0.00 H new ATOM 0 HG SER A 69 2.212 -3.549 9.497 1.00 0.00 H new ATOM 1067 N MET A 70 -0.665 -6.942 7.062 1.00 0.00 N ATOM 1068 CA MET A 70 -1.972 -7.528 6.649 1.00 0.00 C ATOM 1069 C MET A 70 -1.748 -8.926 6.068 1.00 0.00 C ATOM 1070 O MET A 70 -2.646 -9.744 6.033 1.00 0.00 O ATOM 1071 CB MET A 70 -2.621 -6.634 5.591 1.00 0.00 C ATOM 1072 CG MET A 70 -3.568 -5.646 6.273 1.00 0.00 C ATOM 1073 SD MET A 70 -3.730 -4.161 5.250 1.00 0.00 S ATOM 1074 CE MET A 70 -3.923 -5.003 3.660 1.00 0.00 C ATOM 0 H MET A 70 0.028 -6.854 6.319 1.00 0.00 H new ATOM 0 HA MET A 70 -2.627 -7.598 7.518 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.854 -6.095 5.035 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.169 -7.242 4.871 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.545 -6.106 6.422 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.186 -5.381 7.259 1.00 0.00 H new ATOM 0 HE1 MET A 70 -4.448 -4.349 2.964 1.00 0.00 H new ATOM 0 HE2 MET A 70 -2.941 -5.249 3.257 1.00 0.00 H new ATOM 0 HE3 MET A 70 -4.497 -5.919 3.801 1.00 0.00 H new ATOM 1084 N GLY A 71 -0.558 -9.208 5.612 1.00 0.00 N ATOM 1085 CA GLY A 71 -0.284 -10.554 5.035 1.00 0.00 C ATOM 1086 C GLY A 71 0.485 -10.401 3.722 1.00 0.00 C ATOM 1087 O GLY A 71 1.047 -11.347 3.208 1.00 0.00 O ATOM 0 H GLY A 71 0.234 -8.566 5.614 1.00 0.00 H new ATOM 0 HA2 GLY A 71 0.294 -11.152 5.739 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.220 -11.084 4.860 1.00 0.00 H new ATOM 1091 N ILE A 72 0.515 -9.216 3.174 1.00 0.00 N ATOM 1092 CA ILE A 72 1.249 -9.008 1.897 1.00 0.00 C ATOM 1093 C ILE A 72 2.696 -8.624 2.205 1.00 0.00 C ATOM 1094 O ILE A 72 2.991 -8.061 3.240 1.00 0.00 O ATOM 1095 CB ILE A 72 0.581 -7.882 1.106 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.902 -8.204 0.911 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.257 -7.749 -0.259 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.744 -6.990 1.309 1.00 0.00 C ATOM 0 H ILE A 72 0.063 -8.385 3.556 1.00 0.00 H new ATOM 0 HA ILE A 72 1.231 -9.926 1.309 1.00 0.00 H new ATOM 0 HB ILE A 72 0.680 -6.945 1.654 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -1.094 -8.468 -0.129 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.180 -9.067 1.516 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.782 -6.947 -0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.313 -7.519 -0.121 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.158 -8.686 -0.807 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.801 -7.219 1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.560 -6.747 2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.472 -6.138 0.685 1.00 0.00 H new ATOM 1110 N VAL A 73 3.607 -8.921 1.318 1.00 0.00 N ATOM 1111 CA VAL A 73 5.029 -8.564 1.576 1.00 0.00 C ATOM 1112 C VAL A 73 5.522 -7.618 0.474 1.00 0.00 C ATOM 1113 O VAL A 73 4.869 -7.435 -0.534 1.00 0.00 O ATOM 1114 CB VAL A 73 5.877 -9.849 1.615 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.482 -10.153 0.239 1.00 0.00 C ATOM 1116 CG2 VAL A 73 7.003 -9.678 2.636 1.00 0.00 C ATOM 0 H VAL A 73 3.429 -9.393 0.431 1.00 0.00 H new ATOM 0 HA VAL A 73 5.121 -8.057 2.536 1.00 0.00 H new ATOM 0 HB VAL A 73 5.232 -10.681 1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.076 -11.065 0.296 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.682 -10.286 -0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.119 -9.324 -0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.606 -10.585 2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.630 -8.835 2.348 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.576 -9.492 3.621 1.00 0.00 H new ATOM 1126 N VAL A 74 6.665 -7.017 0.657 1.00 0.00 N ATOM 1127 CA VAL A 74 7.189 -6.089 -0.384 1.00 0.00 C ATOM 1128 C VAL A 74 8.675 -6.393 -0.624 1.00 0.00 C ATOM 1129 O VAL A 74 9.433 -6.592 0.306 1.00 0.00 O ATOM 1130 CB VAL A 74 6.981 -4.633 0.085 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.280 -4.039 0.648 1.00 0.00 C ATOM 1132 CG2 VAL A 74 6.505 -3.783 -1.093 1.00 0.00 C ATOM 0 H VAL A 74 7.257 -7.128 1.480 1.00 0.00 H new ATOM 0 HA VAL A 74 6.654 -6.225 -1.324 1.00 0.00 H new ATOM 0 HB VAL A 74 6.232 -4.633 0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.101 -3.013 0.970 1.00 0.00 H new ATOM 0 HG12 VAL A 74 8.613 -4.633 1.499 1.00 0.00 H new ATOM 0 HG13 VAL A 74 9.049 -4.048 -0.124 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.358 -2.755 -0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 74 7.254 -3.807 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.564 -4.181 -1.472 1.00 0.00 H new ATOM 1142 N GLU A 75 9.097 -6.439 -1.857 1.00 0.00 N ATOM 1143 CA GLU A 75 10.530 -6.738 -2.142 1.00 0.00 C ATOM 1144 C GLU A 75 11.096 -5.687 -3.096 1.00 0.00 C ATOM 1145 O GLU A 75 10.492 -5.353 -4.095 1.00 0.00 O ATOM 1146 CB GLU A 75 10.640 -8.122 -2.786 1.00 0.00 C ATOM 1147 CG GLU A 75 10.392 -9.199 -1.728 1.00 0.00 C ATOM 1148 CD GLU A 75 11.724 -9.827 -1.318 1.00 0.00 C ATOM 1149 OE1 GLU A 75 12.752 -9.249 -1.634 1.00 0.00 O ATOM 1150 OE2 GLU A 75 11.696 -10.877 -0.697 1.00 0.00 O ATOM 0 H GLU A 75 8.513 -6.283 -2.679 1.00 0.00 H new ATOM 0 HA GLU A 75 11.096 -6.721 -1.210 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.915 -8.217 -3.594 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.628 -8.252 -3.228 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.900 -8.763 -0.858 1.00 0.00 H new ATOM 0 HG3 GLU A 75 9.723 -9.964 -2.122 1.00 0.00 H new ATOM 1157 N ASP A 76 12.255 -5.166 -2.799 1.00 0.00 N ATOM 1158 CA ASP A 76 12.860 -4.139 -3.693 1.00 0.00 C ATOM 1159 C ASP A 76 14.054 -4.747 -4.430 1.00 0.00 C ATOM 1160 O ASP A 76 13.828 -5.521 -5.346 1.00 0.00 O ATOM 1161 CB ASP A 76 13.329 -2.948 -2.855 1.00 0.00 C ATOM 1162 CG ASP A 76 14.060 -1.948 -3.754 1.00 0.00 C ATOM 1163 OD1 ASP A 76 13.398 -1.084 -4.303 1.00 0.00 O ATOM 1164 OD2 ASP A 76 15.269 -2.065 -3.876 1.00 0.00 O ATOM 1165 OXT ASP A 76 15.174 -4.429 -4.068 1.00 0.00 O ATOM 0 H ASP A 76 12.808 -5.407 -1.977 1.00 0.00 H new ATOM 0 HA ASP A 76 12.118 -3.803 -4.418 1.00 0.00 H new ATOM 0 HB2 ASP A 76 12.475 -2.467 -2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.990 -3.288 -2.058 1.00 0.00 H new TER 1170 ASP A 76