USER MOD reduce.3.24.130724 H: found=0, std=0, add=909, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 739 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 99 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-3!) USER MOD Set 1.2: A 105 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 8 TYR OH : rot 30:sc= 0.953 USER MOD Set 2.2: A 41 TYR OH : rot -8:sc= 1.24 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 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 13 SER OG : rot 180:sc= -0.168 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.353 X(o=-0.35,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 46 LYS NZ :NH3+ -169:sc= -0.271 (180deg=-0.571) USER MOD Single : A 49 THR OG1 : rot 48:sc= 1.12 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc=-0.00392 X(o=-0.0039,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= -0.514 K(o=-0.51,f=-1.5) USER MOD Single : A 68 HIS : no HD1:sc= -0.496 X(o=-0.5,f=-0.13) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.166) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 110:sc= -0.0794 USER MOD Single : A 88 TYR OH : rot 40:sc= 0.947 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.0375 USER MOD Single : A 98 GLN : amide:sc= -0.0325 X(o=-0.033,f=-0.4) USER MOD Single : A 100 SER OG : rot -81:sc= 0.0581 USER MOD Single : A 102 SER OG : rot 180:sc= -0.0167 USER MOD Single : A 108 CYS SG : rot 180:sc= 0 USER MOD Single : A 109 CYS SG : rot 180:sc= -0.348 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 157:sc= -0.111 (180deg=-0.573) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.837 11.952 -0.725 1.00 3.31 N ATOM 2 CA MET A 1 -16.705 12.728 -0.232 1.00 1.12 C ATOM 3 C MET A 1 -15.565 12.731 -1.247 1.00 5.34 C ATOM 4 O MET A 1 -15.093 13.790 -1.660 1.00 24.11 O ATOM 5 CB MET A 1 -16.214 12.164 1.102 1.00 22.11 C ATOM 6 CG MET A 1 -16.819 12.854 2.313 1.00 1.24 C ATOM 7 SD MET A 1 -16.947 11.762 3.743 1.00 2.11 S ATOM 8 CE MET A 1 -18.001 12.733 4.818 1.00 71.34 C ATOM 0 H1 MET A 1 -18.600 11.964 -0.018 1.00 3.31 H new ATOM 0 H2 MET A 1 -18.182 12.367 -1.614 1.00 3.31 H new ATOM 0 H3 MET A 1 -17.538 10.971 -0.895 1.00 3.31 H new ATOM 0 HA MET A 1 -17.038 13.755 -0.083 1.00 1.12 H new ATOM 0 HB2 MET A 1 -16.448 11.100 1.146 1.00 22.11 H new ATOM 0 HB3 MET A 1 -15.129 12.254 1.148 1.00 22.11 H new ATOM 0 HG2 MET A 1 -16.210 13.719 2.575 1.00 1.24 H new ATOM 0 HG3 MET A 1 -17.810 13.227 2.056 1.00 1.24 H new ATOM 0 HE1 MET A 1 -18.173 12.189 5.747 1.00 71.34 H new ATOM 0 HE2 MET A 1 -17.518 13.685 5.039 1.00 71.34 H new ATOM 0 HE3 MET A 1 -18.955 12.917 4.323 1.00 71.34 H new ATOM 16 N ASP A 2 -15.130 11.540 -1.643 1.00 24.12 N ATOM 17 CA ASP A 2 -14.046 11.405 -2.610 1.00 41.55 C ATOM 18 C ASP A 2 -12.828 12.217 -2.178 1.00 51.24 C ATOM 19 O ASP A 2 -12.363 13.095 -2.906 1.00 1.34 O ATOM 20 CB ASP A 2 -14.511 11.859 -3.995 1.00 20.25 C ATOM 21 CG ASP A 2 -15.933 11.431 -4.297 1.00 50.32 C ATOM 22 OD1 ASP A 2 -16.177 10.211 -4.401 1.00 24.32 O ATOM 23 OD2 ASP A 2 -16.804 12.317 -4.430 1.00 11.12 O ATOM 0 H ASP A 2 -15.511 10.654 -1.310 1.00 24.12 H new ATOM 0 HA ASP A 2 -13.762 10.354 -2.656 1.00 41.55 H new ATOM 0 HB2 ASP A 2 -14.440 12.945 -4.061 1.00 20.25 H new ATOM 0 HB3 ASP A 2 -13.843 11.449 -4.752 1.00 20.25 H new ATOM 27 N THR A 3 -12.316 11.919 -0.988 1.00 13.53 N ATOM 28 CA THR A 3 -11.155 12.621 -0.457 1.00 52.33 C ATOM 29 C THR A 3 -9.997 11.661 -0.210 1.00 12.41 C ATOM 30 O THR A 3 -10.186 10.574 0.335 1.00 31.12 O ATOM 31 CB THR A 3 -11.491 13.351 0.857 1.00 54.41 C ATOM 32 OG1 THR A 3 -10.341 14.057 1.335 1.00 74.14 O ATOM 33 CG2 THR A 3 -11.964 12.366 1.917 1.00 42.24 C ATOM 0 H THR A 3 -12.688 11.195 -0.373 1.00 13.53 H new ATOM 0 HA THR A 3 -10.861 13.356 -1.207 1.00 52.33 H new ATOM 0 HB THR A 3 -12.294 14.060 0.657 1.00 54.41 H new ATOM 0 HG1 THR A 3 -10.565 14.519 2.170 1.00 74.14 H new ATOM 0 HG21 THR A 3 -12.196 12.904 2.836 1.00 42.24 H new ATOM 0 HG22 THR A 3 -12.857 11.852 1.563 1.00 42.24 H new ATOM 0 HG23 THR A 3 -11.178 11.636 2.112 1.00 42.24 H new ATOM 41 N SER A 4 -8.799 12.070 -0.614 1.00 5.30 N ATOM 42 CA SER A 4 -7.610 11.244 -0.438 1.00 23.43 C ATOM 43 C SER A 4 -7.335 10.996 1.042 1.00 21.45 C ATOM 44 O SER A 4 -6.789 9.958 1.418 1.00 4.33 O ATOM 45 CB SER A 4 -6.397 11.913 -1.089 1.00 40.41 C ATOM 46 OG SER A 4 -6.289 13.268 -0.692 1.00 64.03 O ATOM 0 H SER A 4 -8.626 12.968 -1.065 1.00 5.30 H new ATOM 0 HA SER A 4 -7.790 10.284 -0.922 1.00 23.43 H new ATOM 0 HB2 SER A 4 -5.490 11.376 -0.812 1.00 40.41 H new ATOM 0 HB3 SER A 4 -6.484 11.854 -2.174 1.00 40.41 H new ATOM 0 HG SER A 4 -5.506 13.673 -1.120 1.00 64.03 H new ATOM 51 N LYS A 5 -7.716 11.956 1.877 1.00 65.11 N ATOM 52 CA LYS A 5 -7.512 11.844 3.317 1.00 23.33 C ATOM 53 C LYS A 5 -8.233 10.621 3.875 1.00 40.33 C ATOM 54 O LYS A 5 -7.899 10.129 4.953 1.00 52.32 O ATOM 55 CB LYS A 5 -8.007 13.108 4.022 1.00 4.40 C ATOM 56 CG LYS A 5 -6.888 14.032 4.473 1.00 13.02 C ATOM 57 CD LYS A 5 -6.373 13.652 5.851 1.00 3.34 C ATOM 58 CE LYS A 5 -5.961 14.880 6.649 1.00 71.01 C ATOM 59 NZ LYS A 5 -6.478 14.833 8.046 1.00 64.54 N ATOM 0 H LYS A 5 -8.168 12.821 1.582 1.00 65.11 H new ATOM 0 HA LYS A 5 -6.444 11.728 3.500 1.00 23.33 H new ATOM 0 HB2 LYS A 5 -8.668 13.654 3.349 1.00 4.40 H new ATOM 0 HB3 LYS A 5 -8.601 12.821 4.889 1.00 4.40 H new ATOM 0 HG2 LYS A 5 -6.070 13.992 3.754 1.00 13.02 H new ATOM 0 HG3 LYS A 5 -7.248 15.061 4.489 1.00 13.02 H new ATOM 0 HD2 LYS A 5 -7.146 13.107 6.392 1.00 3.34 H new ATOM 0 HD3 LYS A 5 -5.521 12.980 5.750 1.00 3.34 H new ATOM 0 HE2 LYS A 5 -4.874 14.954 6.666 1.00 71.01 H new ATOM 0 HE3 LYS A 5 -6.333 15.777 6.154 1.00 71.01 H new ATOM 0 HZ1 LYS A 5 -6.176 15.687 8.557 1.00 64.54 H new ATOM 0 HZ2 LYS A 5 -7.517 14.788 8.030 1.00 64.54 H new ATOM 0 HZ3 LYS A 5 -6.102 13.991 8.527 1.00 64.54 H new ATOM 69 N PHE A 6 -9.223 10.135 3.133 1.00 22.05 N ATOM 70 CA PHE A 6 -9.991 8.968 3.554 1.00 5.41 C ATOM 71 C PHE A 6 -9.105 7.729 3.623 1.00 20.42 C ATOM 72 O PHE A 6 -9.266 6.885 4.505 1.00 60.23 O ATOM 73 CB PHE A 6 -11.155 8.725 2.592 1.00 13.23 C ATOM 74 CG PHE A 6 -12.407 8.249 3.274 1.00 61.23 C ATOM 75 CD1 PHE A 6 -13.100 9.082 4.138 1.00 40.14 C ATOM 76 CD2 PHE A 6 -12.890 6.970 3.050 1.00 43.41 C ATOM 77 CE1 PHE A 6 -14.251 8.647 4.767 1.00 75.51 C ATOM 78 CE2 PHE A 6 -14.042 6.530 3.677 1.00 62.50 C ATOM 79 CZ PHE A 6 -14.723 7.370 4.535 1.00 34.12 C ATOM 0 H PHE A 6 -9.512 10.530 2.238 1.00 22.05 H new ATOM 0 HA PHE A 6 -10.387 9.164 4.551 1.00 5.41 H new ATOM 0 HB2 PHE A 6 -11.372 9.649 2.056 1.00 13.23 H new ATOM 0 HB3 PHE A 6 -10.853 7.988 1.848 1.00 13.23 H new ATOM 0 HD1 PHE A 6 -12.736 10.082 4.322 1.00 40.14 H new ATOM 0 HD2 PHE A 6 -12.362 6.309 2.379 1.00 43.41 H new ATOM 0 HE1 PHE A 6 -14.781 9.305 5.440 1.00 75.51 H new ATOM 0 HE2 PHE A 6 -14.408 5.530 3.495 1.00 62.50 H new ATOM 0 HZ PHE A 6 -15.624 7.029 5.024 1.00 34.12 H new ATOM 88 N TRP A 7 -8.169 7.626 2.686 1.00 21.51 N ATOM 89 CA TRP A 7 -7.256 6.489 2.639 1.00 4.21 C ATOM 90 C TRP A 7 -5.816 6.936 2.868 1.00 50.53 C ATOM 91 O TRP A 7 -4.904 6.113 2.934 1.00 21.21 O ATOM 92 CB TRP A 7 -7.372 5.771 1.293 1.00 4.40 C ATOM 93 CG TRP A 7 -7.323 6.700 0.118 1.00 31.30 C ATOM 94 CD1 TRP A 7 -8.383 7.148 -0.618 1.00 34.51 C ATOM 95 CD2 TRP A 7 -6.153 7.293 -0.457 1.00 10.53 C ATOM 96 NE1 TRP A 7 -7.943 7.983 -1.616 1.00 71.25 N ATOM 97 CE2 TRP A 7 -6.580 8.090 -1.538 1.00 23.41 C ATOM 98 CE3 TRP A 7 -4.789 7.231 -0.162 1.00 33.50 C ATOM 99 CZ2 TRP A 7 -5.688 8.815 -2.323 1.00 71.44 C ATOM 100 CZ3 TRP A 7 -3.906 7.952 -0.943 1.00 32.42 C ATOM 101 CH2 TRP A 7 -4.358 8.736 -2.012 1.00 73.44 C ATOM 0 H TRP A 7 -8.022 8.316 1.949 1.00 21.51 H new ATOM 0 HA TRP A 7 -7.533 5.799 3.436 1.00 4.21 H new ATOM 0 HB2 TRP A 7 -6.564 5.044 1.206 1.00 4.40 H new ATOM 0 HB3 TRP A 7 -8.308 5.212 1.267 1.00 4.40 H new ATOM 0 HD1 TRP A 7 -9.415 6.884 -0.441 1.00 34.51 H new ATOM 0 HE1 TRP A 7 -8.536 8.448 -2.304 1.00 71.25 H new ATOM 0 HE3 TRP A 7 -4.431 6.631 0.661 1.00 33.50 H new ATOM 0 HZ2 TRP A 7 -6.034 9.419 -3.149 1.00 71.44 H new ATOM 0 HZ3 TRP A 7 -2.849 7.910 -0.725 1.00 32.42 H new ATOM 0 HH2 TRP A 7 -3.643 9.289 -2.602 1.00 73.44 H new ATOM 111 N TYR A 8 -5.621 8.245 2.987 1.00 45.31 N ATOM 112 CA TYR A 8 -4.290 8.802 3.207 1.00 35.14 C ATOM 113 C TYR A 8 -4.169 9.384 4.612 1.00 71.23 C ATOM 114 O TYR A 8 -4.765 10.415 4.923 1.00 44.14 O ATOM 115 CB TYR A 8 -3.989 9.882 2.167 1.00 34.34 C ATOM 116 CG TYR A 8 -2.644 10.546 2.356 1.00 53.25 C ATOM 117 CD1 TYR A 8 -2.505 11.655 3.181 1.00 2.44 C ATOM 118 CD2 TYR A 8 -1.513 10.064 1.710 1.00 71.54 C ATOM 119 CE1 TYR A 8 -1.278 12.265 3.357 1.00 53.01 C ATOM 120 CE2 TYR A 8 -0.282 10.667 1.880 1.00 45.35 C ATOM 121 CZ TYR A 8 -0.170 11.768 2.704 1.00 2.34 C ATOM 122 OH TYR A 8 1.054 12.372 2.878 1.00 62.14 O ATOM 0 H TYR A 8 -6.366 8.940 2.935 1.00 45.31 H new ATOM 0 HA TYR A 8 -3.564 7.996 3.104 1.00 35.14 H new ATOM 0 HB2 TYR A 8 -4.029 9.438 1.172 1.00 34.34 H new ATOM 0 HB3 TYR A 8 -4.769 10.642 2.208 1.00 34.34 H new ATOM 0 HD1 TYR A 8 -3.371 12.047 3.694 1.00 2.44 H new ATOM 0 HD2 TYR A 8 -1.597 9.203 1.064 1.00 71.54 H new ATOM 0 HE1 TYR A 8 -1.187 13.126 4.002 1.00 53.01 H new ATOM 0 HE2 TYR A 8 0.588 10.279 1.371 1.00 45.35 H new ATOM 0 HH TYR A 8 1.098 12.772 3.772 1.00 62.14 H new ATOM 131 N LYS A 9 -3.392 8.716 5.457 1.00 72.21 N ATOM 132 CA LYS A 9 -3.188 9.166 6.828 1.00 1.02 C ATOM 133 C LYS A 9 -1.738 8.963 7.258 1.00 71.33 C ATOM 134 O LYS A 9 -1.271 7.839 7.440 1.00 25.13 O ATOM 135 CB LYS A 9 -4.122 8.412 7.778 1.00 4.22 C ATOM 136 CG LYS A 9 -5.592 8.721 7.557 1.00 34.23 C ATOM 137 CD LYS A 9 -6.480 7.594 8.058 1.00 72.34 C ATOM 138 CE LYS A 9 -7.904 7.734 7.540 1.00 64.41 C ATOM 139 NZ LYS A 9 -8.755 8.530 8.466 1.00 44.33 N ATOM 0 H LYS A 9 -2.893 7.860 5.216 1.00 72.21 H new ATOM 0 HA LYS A 9 -3.416 10.231 6.872 1.00 1.02 H new ATOM 0 HB2 LYS A 9 -3.962 7.341 7.657 1.00 4.22 H new ATOM 0 HB3 LYS A 9 -3.858 8.659 8.806 1.00 4.22 H new ATOM 0 HG2 LYS A 9 -5.852 9.646 8.071 1.00 34.23 H new ATOM 0 HG3 LYS A 9 -5.775 8.885 6.495 1.00 34.23 H new ATOM 0 HD2 LYS A 9 -6.068 6.636 7.740 1.00 72.34 H new ATOM 0 HD3 LYS A 9 -6.487 7.592 9.148 1.00 72.34 H new ATOM 0 HE2 LYS A 9 -7.889 8.211 6.560 1.00 64.41 H new ATOM 0 HE3 LYS A 9 -8.341 6.744 7.406 1.00 64.41 H new ATOM 0 HZ1 LYS A 9 -9.717 8.602 8.078 1.00 44.33 H new ATOM 0 HZ2 LYS A 9 -8.791 8.062 9.394 1.00 44.33 H new ATOM 0 HZ3 LYS A 9 -8.353 9.483 8.574 1.00 44.33 H new ATOM 149 N PRO A 10 -1.008 10.076 7.424 1.00 2.41 N ATOM 150 CA PRO A 10 0.398 10.046 7.836 1.00 43.21 C ATOM 151 C PRO A 10 0.569 9.600 9.284 1.00 54.33 C ATOM 152 O PRO A 10 1.532 8.911 9.622 1.00 41.40 O ATOM 153 CB PRO A 10 0.848 11.499 7.668 1.00 73.22 C ATOM 154 CG PRO A 10 -0.401 12.301 7.797 1.00 21.13 C ATOM 155 CD PRO A 10 -1.500 11.450 7.224 1.00 14.11 C ATOM 0 HA PRO A 10 0.979 9.335 7.249 1.00 43.21 H new ATOM 0 HB2 PRO A 10 1.577 11.778 8.428 1.00 73.22 H new ATOM 0 HB3 PRO A 10 1.321 11.657 6.699 1.00 73.22 H new ATOM 0 HG2 PRO A 10 -0.601 12.547 8.840 1.00 21.13 H new ATOM 0 HG3 PRO A 10 -0.316 13.245 7.258 1.00 21.13 H new ATOM 0 HD2 PRO A 10 -2.447 11.617 7.738 1.00 14.11 H new ATOM 0 HD3 PRO A 10 -1.668 11.667 6.169 1.00 14.11 H new ATOM 160 N HIS A 11 -0.371 9.997 10.136 1.00 74.54 N ATOM 161 CA HIS A 11 -0.326 9.637 11.548 1.00 24.33 C ATOM 162 C HIS A 11 -0.662 8.161 11.744 1.00 53.24 C ATOM 163 O HIS A 11 -0.318 7.566 12.765 1.00 22.20 O ATOM 164 CB HIS A 11 -1.296 10.505 12.349 1.00 23.34 C ATOM 165 CG HIS A 11 -0.713 11.034 13.624 1.00 74.05 C ATOM 166 ND1 HIS A 11 -0.149 10.225 14.587 1.00 42.13 N ATOM 167 CD2 HIS A 11 -0.609 12.301 14.089 1.00 64.31 C ATOM 168 CE1 HIS A 11 0.276 10.972 15.591 1.00 2.03 C ATOM 169 NE2 HIS A 11 0.010 12.235 15.314 1.00 51.34 N ATOM 0 H HIS A 11 -1.174 10.569 9.872 1.00 74.54 H new ATOM 0 HA HIS A 11 0.687 9.811 11.910 1.00 24.33 H new ATOM 0 HB2 HIS A 11 -1.617 11.343 11.730 1.00 23.34 H new ATOM 0 HB3 HIS A 11 -2.187 9.921 12.581 1.00 23.34 H new ATOM 0 HD2 HIS A 11 -0.949 13.197 13.590 1.00 64.31 H new ATOM 0 HE1 HIS A 11 0.759 10.610 16.487 1.00 2.03 H new ATOM 0 HE2 HIS A 11 0.228 13.032 15.912 1.00 51.34 H new ATOM 176 N LEU A 12 -1.338 7.579 10.760 1.00 24.41 N ATOM 177 CA LEU A 12 -1.723 6.173 10.823 1.00 24.03 C ATOM 178 C LEU A 12 -0.492 5.273 10.870 1.00 25.11 C ATOM 179 O LEU A 12 0.434 5.429 10.073 1.00 12.10 O ATOM 180 CB LEU A 12 -2.591 5.806 9.619 1.00 10.14 C ATOM 181 CG LEU A 12 -3.405 4.517 9.746 1.00 24.24 C ATOM 182 CD1 LEU A 12 -4.310 4.575 10.967 1.00 60.53 C ATOM 183 CD2 LEU A 12 -4.221 4.276 8.485 1.00 44.11 C ATOM 0 H LEU A 12 -1.631 8.059 9.909 1.00 24.41 H new ATOM 0 HA LEU A 12 -2.298 6.020 11.737 1.00 24.03 H new ATOM 0 HB2 LEU A 12 -3.279 6.629 9.428 1.00 10.14 H new ATOM 0 HB3 LEU A 12 -1.946 5.720 8.744 1.00 10.14 H new ATOM 0 HG LEU A 12 -2.714 3.684 9.872 1.00 24.24 H new ATOM 0 HD11 LEU A 12 -4.881 3.650 11.041 1.00 60.53 H new ATOM 0 HD12 LEU A 12 -3.703 4.700 11.864 1.00 60.53 H new ATOM 0 HD13 LEU A 12 -4.995 5.418 10.872 1.00 60.53 H new ATOM 0 HD21 LEU A 12 -4.794 3.355 8.593 1.00 44.11 H new ATOM 0 HD22 LEU A 12 -4.903 5.111 8.328 1.00 44.11 H new ATOM 0 HD23 LEU A 12 -3.551 4.189 7.629 1.00 44.11 H new ATOM 194 N SER A 13 -0.488 4.330 11.806 1.00 12.43 N ATOM 195 CA SER A 13 0.629 3.405 11.958 1.00 72.55 C ATOM 196 C SER A 13 0.466 2.200 11.036 1.00 51.45 C ATOM 197 O SER A 13 -0.637 1.900 10.579 1.00 12.04 O ATOM 198 CB SER A 13 0.740 2.939 13.411 1.00 71.25 C ATOM 199 OG SER A 13 -0.361 3.395 14.178 1.00 40.20 O ATOM 0 H SER A 13 -1.247 4.186 12.472 1.00 12.43 H new ATOM 0 HA SER A 13 1.543 3.930 11.682 1.00 72.55 H new ATOM 0 HB2 SER A 13 0.785 1.850 13.445 1.00 71.25 H new ATOM 0 HB3 SER A 13 1.668 3.310 13.845 1.00 71.25 H new ATOM 0 HG SER A 13 -0.268 3.083 15.102 1.00 40.20 H new ATOM 204 N ARG A 14 1.572 1.515 10.767 1.00 51.43 N ATOM 205 CA ARG A 14 1.553 0.344 9.899 1.00 20.24 C ATOM 206 C ARG A 14 0.529 -0.678 10.386 1.00 5.41 C ATOM 207 O ARG A 14 -0.274 -1.188 9.605 1.00 24.11 O ATOM 208 CB ARG A 14 2.941 -0.298 9.842 1.00 41.34 C ATOM 209 CG ARG A 14 3.540 -0.578 11.211 1.00 41.14 C ATOM 210 CD ARG A 14 4.997 -0.998 11.106 1.00 72.41 C ATOM 211 NE ARG A 14 5.580 -1.285 12.414 1.00 41.05 N ATOM 212 CZ ARG A 14 6.812 -1.752 12.583 1.00 3.41 C ATOM 213 NH1 ARG A 14 7.586 -1.984 11.533 1.00 24.22 N ATOM 214 NH2 ARG A 14 7.271 -1.988 13.805 1.00 3.43 N ATOM 0 H ARG A 14 2.493 1.751 11.138 1.00 51.43 H new ATOM 0 HA ARG A 14 1.269 0.670 8.898 1.00 20.24 H new ATOM 0 HB2 ARG A 14 2.877 -1.233 9.285 1.00 41.34 H new ATOM 0 HB3 ARG A 14 3.613 0.358 9.288 1.00 41.34 H new ATOM 0 HG2 ARG A 14 3.461 0.314 11.833 1.00 41.14 H new ATOM 0 HG3 ARG A 14 2.969 -1.363 11.706 1.00 41.14 H new ATOM 0 HD2 ARG A 14 5.075 -1.882 10.473 1.00 72.41 H new ATOM 0 HD3 ARG A 14 5.568 -0.207 10.620 1.00 72.41 H new ATOM 0 HE ARG A 14 5.010 -1.118 13.243 1.00 41.05 H new ATOM 0 HH11 ARG A 14 7.236 -1.804 10.592 1.00 24.22 H new ATOM 0 HH12 ARG A 14 8.532 -2.343 11.666 1.00 24.22 H new ATOM 0 HH21 ARG A 14 6.678 -1.811 14.616 1.00 3.43 H new ATOM 0 HH22 ARG A 14 8.217 -2.347 13.934 1.00 3.43 H new ATOM 225 N ASP A 15 0.565 -0.971 11.681 1.00 11.40 N ATOM 226 CA ASP A 15 -0.361 -1.930 12.273 1.00 25.04 C ATOM 227 C ASP A 15 -1.807 -1.523 12.014 1.00 62.34 C ATOM 228 O ASP A 15 -2.649 -2.361 11.695 1.00 55.21 O ATOM 229 CB ASP A 15 -0.113 -2.047 13.779 1.00 34.44 C ATOM 230 CG ASP A 15 -0.362 -3.450 14.299 1.00 15.31 C ATOM 231 OD1 ASP A 15 -1.511 -3.927 14.191 1.00 52.41 O ATOM 232 OD2 ASP A 15 0.591 -4.070 14.814 1.00 63.41 O ATOM 0 H ASP A 15 1.225 -0.559 12.341 1.00 11.40 H new ATOM 0 HA ASP A 15 -0.187 -2.900 11.806 1.00 25.04 H new ATOM 0 HB2 ASP A 15 0.915 -1.758 13.999 1.00 34.44 H new ATOM 0 HB3 ASP A 15 -0.761 -1.347 14.307 1.00 34.44 H new ATOM 236 N GLN A 16 -2.087 -0.231 12.153 1.00 63.45 N ATOM 237 CA GLN A 16 -3.432 0.288 11.935 1.00 74.41 C ATOM 238 C GLN A 16 -3.869 0.072 10.489 1.00 52.44 C ATOM 239 O GLN A 16 -5.014 -0.300 10.226 1.00 44.00 O ATOM 240 CB GLN A 16 -3.490 1.776 12.281 1.00 11.42 C ATOM 241 CG GLN A 16 -3.165 2.075 13.736 1.00 70.12 C ATOM 242 CD GLN A 16 -4.386 2.016 14.631 1.00 53.34 C ATOM 243 OE1 GLN A 16 -4.842 0.937 15.010 1.00 63.24 O ATOM 244 NE2 GLN A 16 -4.926 3.181 14.974 1.00 12.12 N ATOM 0 H GLN A 16 -1.400 0.476 12.416 1.00 63.45 H new ATOM 0 HA GLN A 16 -4.115 -0.255 12.588 1.00 74.41 H new ATOM 0 HB2 GLN A 16 -2.791 2.317 11.643 1.00 11.42 H new ATOM 0 HB3 GLN A 16 -4.487 2.155 12.055 1.00 11.42 H new ATOM 0 HG2 GLN A 16 -2.423 1.361 14.093 1.00 70.12 H new ATOM 0 HG3 GLN A 16 -2.714 3.065 13.808 1.00 70.12 H new ATOM 0 HE21 GLN A 16 -4.516 4.052 14.637 1.00 12.12 H new ATOM 0 HE22 GLN A 16 -5.751 3.204 15.574 1.00 12.12 H new ATOM 251 N ALA A 17 -2.953 0.308 9.556 1.00 0.44 N ATOM 252 CA ALA A 17 -3.244 0.138 8.139 1.00 74.03 C ATOM 253 C ALA A 17 -3.554 -1.319 7.812 1.00 32.01 C ATOM 254 O ALA A 17 -4.461 -1.610 7.031 1.00 24.30 O ATOM 255 CB ALA A 17 -2.077 0.633 7.297 1.00 12.31 C ATOM 0 H ALA A 17 -2.002 0.618 9.757 1.00 0.44 H new ATOM 0 HA ALA A 17 -4.127 0.732 7.902 1.00 74.03 H new ATOM 0 HB1 ALA A 17 -2.308 0.500 6.240 1.00 12.31 H new ATOM 0 HB2 ALA A 17 -1.904 1.690 7.500 1.00 12.31 H new ATOM 0 HB3 ALA A 17 -1.181 0.064 7.547 1.00 12.31 H new ATOM 261 N ILE A 18 -2.797 -2.229 8.414 1.00 1.23 N ATOM 262 CA ILE A 18 -2.992 -3.656 8.188 1.00 63.35 C ATOM 263 C ILE A 18 -4.345 -4.117 8.718 1.00 43.34 C ATOM 264 O ILE A 18 -5.040 -4.901 8.074 1.00 14.40 O ATOM 265 CB ILE A 18 -1.881 -4.488 8.854 1.00 4.14 C ATOM 266 CG1 ILE A 18 -0.510 -4.077 8.313 1.00 42.15 C ATOM 267 CG2 ILE A 18 -2.123 -5.973 8.626 1.00 73.22 C ATOM 268 CD1 ILE A 18 0.639 -4.479 9.210 1.00 12.22 C ATOM 0 H ILE A 18 -2.042 -2.004 9.062 1.00 1.23 H new ATOM 0 HA ILE A 18 -2.955 -3.813 7.110 1.00 63.35 H new ATOM 0 HB ILE A 18 -1.899 -4.297 9.927 1.00 4.14 H new ATOM 0 HG12 ILE A 18 -0.367 -4.526 7.330 1.00 42.15 H new ATOM 0 HG13 ILE A 18 -0.492 -2.996 8.176 1.00 42.15 H new ATOM 0 HG21 ILE A 18 -1.329 -6.548 9.103 1.00 73.22 H new ATOM 0 HG22 ILE A 18 -3.084 -6.255 9.056 1.00 73.22 H new ATOM 0 HG23 ILE A 18 -2.129 -6.181 7.556 1.00 73.22 H new ATOM 0 HD11 ILE A 18 1.579 -4.156 8.764 1.00 12.22 H new ATOM 0 HD12 ILE A 18 0.520 -4.009 10.186 1.00 12.22 H new ATOM 0 HD13 ILE A 18 0.647 -5.563 9.328 1.00 12.22 H new ATOM 279 N ALA A 19 -4.713 -3.622 9.896 1.00 31.03 N ATOM 280 CA ALA A 19 -5.985 -3.981 10.512 1.00 32.41 C ATOM 281 C ALA A 19 -7.157 -3.428 9.709 1.00 15.50 C ATOM 282 O ALA A 19 -8.205 -4.067 9.601 1.00 0.02 O ATOM 283 CB ALA A 19 -6.038 -3.475 11.946 1.00 74.25 C ATOM 0 H ALA A 19 -4.148 -2.972 10.442 1.00 31.03 H new ATOM 0 HA ALA A 19 -6.064 -5.068 10.520 1.00 32.41 H new ATOM 0 HB1 ALA A 19 -6.993 -3.750 12.394 1.00 74.25 H new ATOM 0 HB2 ALA A 19 -5.226 -3.922 12.520 1.00 74.25 H new ATOM 0 HB3 ALA A 19 -5.933 -2.390 11.953 1.00 74.25 H new ATOM 289 N LEU A 20 -6.976 -2.238 9.148 1.00 72.13 N ATOM 290 CA LEU A 20 -8.020 -1.599 8.355 1.00 54.23 C ATOM 291 C LEU A 20 -8.182 -2.293 7.006 1.00 41.21 C ATOM 292 O LEU A 20 -9.278 -2.336 6.446 1.00 74.22 O ATOM 293 CB LEU A 20 -7.694 -0.119 8.144 1.00 72.33 C ATOM 294 CG LEU A 20 -8.730 0.692 7.365 1.00 11.22 C ATOM 295 CD1 LEU A 20 -9.603 1.497 8.316 1.00 21.40 C ATOM 296 CD2 LEU A 20 -8.045 1.609 6.362 1.00 21.23 C ATOM 0 H LEU A 20 -6.116 -1.696 9.228 1.00 72.13 H new ATOM 0 HA LEU A 20 -8.959 -1.684 8.901 1.00 54.23 H new ATOM 0 HB2 LEU A 20 -7.558 0.345 9.121 1.00 72.33 H new ATOM 0 HB3 LEU A 20 -6.740 -0.049 7.622 1.00 72.33 H new ATOM 0 HG LEU A 20 -9.368 -0.001 6.817 1.00 11.22 H new ATOM 0 HD11 LEU A 20 -10.334 2.068 7.744 1.00 21.40 H new ATOM 0 HD12 LEU A 20 -10.122 0.820 8.995 1.00 21.40 H new ATOM 0 HD13 LEU A 20 -8.979 2.181 8.892 1.00 21.40 H new ATOM 0 HD21 LEU A 20 -8.798 2.178 5.817 1.00 21.23 H new ATOM 0 HD22 LEU A 20 -7.383 2.295 6.890 1.00 21.23 H new ATOM 0 HD23 LEU A 20 -7.464 1.011 5.660 1.00 21.23 H new ATOM 307 N LEU A 21 -7.086 -2.837 6.491 1.00 24.42 N ATOM 308 CA LEU A 21 -7.105 -3.532 5.209 1.00 21.33 C ATOM 309 C LEU A 21 -7.724 -4.919 5.352 1.00 60.42 C ATOM 310 O LEU A 21 -8.493 -5.358 4.496 1.00 21.11 O ATOM 311 CB LEU A 21 -5.687 -3.649 4.648 1.00 31.22 C ATOM 312 CG LEU A 21 -5.156 -2.423 3.905 1.00 61.23 C ATOM 313 CD1 LEU A 21 -3.725 -2.655 3.446 1.00 22.10 C ATOM 314 CD2 LEU A 21 -6.051 -2.089 2.719 1.00 24.35 C ATOM 0 H LEU A 21 -6.171 -2.810 6.942 1.00 24.42 H new ATOM 0 HA LEU A 21 -7.715 -2.951 4.517 1.00 21.33 H new ATOM 0 HB2 LEU A 21 -5.009 -3.871 5.472 1.00 31.22 H new ATOM 0 HB3 LEU A 21 -5.655 -4.502 3.970 1.00 31.22 H new ATOM 0 HG LEU A 21 -5.163 -1.576 4.590 1.00 61.23 H new ATOM 0 HD11 LEU A 21 -3.364 -1.772 2.919 1.00 22.10 H new ATOM 0 HD12 LEU A 21 -3.091 -2.845 4.312 1.00 22.10 H new ATOM 0 HD13 LEU A 21 -3.692 -3.515 2.777 1.00 22.10 H new ATOM 0 HD21 LEU A 21 -5.658 -1.214 2.202 1.00 24.35 H new ATOM 0 HD22 LEU A 21 -6.076 -2.935 2.033 1.00 24.35 H new ATOM 0 HD23 LEU A 21 -7.060 -1.879 3.073 1.00 24.35 H new ATOM 325 N LYS A 22 -7.384 -5.604 6.438 1.00 35.02 N ATOM 326 CA LYS A 22 -7.909 -6.940 6.696 1.00 52.30 C ATOM 327 C LYS A 22 -9.378 -6.879 7.104 1.00 24.13 C ATOM 328 O LYS A 22 -10.055 -7.904 7.176 1.00 32.35 O ATOM 329 CB LYS A 22 -7.092 -7.628 7.792 1.00 73.02 C ATOM 330 CG LYS A 22 -7.404 -7.125 9.190 1.00 45.11 C ATOM 331 CD LYS A 22 -6.590 -7.860 10.242 1.00 51.43 C ATOM 332 CE LYS A 22 -7.442 -8.864 11.004 1.00 32.31 C ATOM 333 NZ LYS A 22 -8.275 -8.207 12.049 1.00 71.13 N ATOM 0 H LYS A 22 -6.747 -5.256 7.154 1.00 35.02 H new ATOM 0 HA LYS A 22 -7.830 -7.518 5.775 1.00 52.30 H new ATOM 0 HB2 LYS A 22 -7.277 -8.701 7.752 1.00 73.02 H new ATOM 0 HB3 LYS A 22 -6.031 -7.480 7.590 1.00 73.02 H new ATOM 0 HG2 LYS A 22 -7.195 -6.057 9.248 1.00 45.11 H new ATOM 0 HG3 LYS A 22 -8.467 -7.254 9.395 1.00 45.11 H new ATOM 0 HD2 LYS A 22 -5.757 -8.376 9.764 1.00 51.43 H new ATOM 0 HD3 LYS A 22 -6.161 -7.141 10.940 1.00 51.43 H new ATOM 0 HE2 LYS A 22 -8.089 -9.395 10.306 1.00 32.31 H new ATOM 0 HE3 LYS A 22 -6.796 -9.608 11.470 1.00 32.31 H new ATOM 0 HZ1 LYS A 22 -8.840 -8.925 12.545 1.00 71.13 H new ATOM 0 HZ2 LYS A 22 -7.658 -7.721 12.730 1.00 71.13 H new ATOM 0 HZ3 LYS A 22 -8.910 -7.515 11.602 1.00 71.13 H new ATOM 343 N ASP A 23 -9.862 -5.671 7.370 1.00 35.11 N ATOM 344 CA ASP A 23 -11.252 -5.476 7.769 1.00 0.24 C ATOM 345 C ASP A 23 -12.043 -4.787 6.662 1.00 10.31 C ATOM 346 O ASP A 23 -13.220 -4.467 6.832 1.00 51.03 O ATOM 347 CB ASP A 23 -11.325 -4.652 9.055 1.00 4.11 C ATOM 348 CG ASP A 23 -12.706 -4.676 9.680 1.00 44.21 C ATOM 349 OD1 ASP A 23 -12.967 -5.574 10.507 1.00 20.53 O ATOM 350 OD2 ASP A 23 -13.525 -3.795 9.344 1.00 75.41 O ATOM 0 H ASP A 23 -9.314 -4.813 7.317 1.00 35.11 H new ATOM 0 HA ASP A 23 -11.694 -6.456 7.950 1.00 0.24 H new ATOM 0 HB2 ASP A 23 -10.599 -5.036 9.771 1.00 4.11 H new ATOM 0 HB3 ASP A 23 -11.045 -3.621 8.839 1.00 4.11 H new ATOM 354 N LYS A 24 -11.390 -4.559 5.527 1.00 4.44 N ATOM 355 CA LYS A 24 -12.031 -3.907 4.392 1.00 32.44 C ATOM 356 C LYS A 24 -12.046 -4.827 3.175 1.00 15.35 C ATOM 357 O LYS A 24 -11.395 -5.872 3.167 1.00 62.22 O ATOM 358 CB LYS A 24 -11.306 -2.603 4.050 1.00 14.25 C ATOM 359 CG LYS A 24 -11.816 -1.403 4.829 1.00 2.11 C ATOM 360 CD LYS A 24 -12.876 -0.642 4.050 1.00 71.20 C ATOM 361 CE LYS A 24 -12.868 0.838 4.399 1.00 50.41 C ATOM 362 NZ LYS A 24 -12.548 1.685 3.218 1.00 65.21 N ATOM 0 H LYS A 24 -10.416 -4.817 5.369 1.00 4.44 H new ATOM 0 HA LYS A 24 -13.061 -3.681 4.668 1.00 32.44 H new ATOM 0 HB2 LYS A 24 -10.241 -2.727 4.246 1.00 14.25 H new ATOM 0 HB3 LYS A 24 -11.413 -2.406 2.983 1.00 14.25 H new ATOM 0 HG2 LYS A 24 -12.231 -1.735 5.781 1.00 2.11 H new ATOM 0 HG3 LYS A 24 -10.984 -0.737 5.059 1.00 2.11 H new ATOM 0 HD2 LYS A 24 -12.703 -0.766 2.981 1.00 71.20 H new ATOM 0 HD3 LYS A 24 -13.859 -1.062 4.264 1.00 71.20 H new ATOM 0 HE2 LYS A 24 -13.842 1.123 4.796 1.00 50.41 H new ATOM 0 HE3 LYS A 24 -12.137 1.021 5.186 1.00 50.41 H new ATOM 0 HZ1 LYS A 24 -12.553 2.687 3.498 1.00 65.21 H new ATOM 0 HZ2 LYS A 24 -11.607 1.432 2.854 1.00 65.21 H new ATOM 0 HZ3 LYS A 24 -13.260 1.530 2.476 1.00 65.21 H new ATOM 372 N ASP A 25 -12.792 -4.431 2.150 1.00 54.11 N ATOM 373 CA ASP A 25 -12.890 -5.218 0.926 1.00 12.34 C ATOM 374 C ASP A 25 -11.515 -5.418 0.296 1.00 50.33 C ATOM 375 O ASP A 25 -10.578 -4.656 0.540 1.00 31.31 O ATOM 376 CB ASP A 25 -13.828 -4.537 -0.071 1.00 42.22 C ATOM 377 CG ASP A 25 -15.277 -4.932 0.133 1.00 42.04 C ATOM 378 OD1 ASP A 25 -15.794 -4.731 1.252 1.00 55.34 O ATOM 379 OD2 ASP A 25 -15.893 -5.443 -0.826 1.00 11.24 O ATOM 0 H ASP A 25 -13.338 -3.569 2.142 1.00 54.11 H new ATOM 0 HA ASP A 25 -13.296 -6.196 1.185 1.00 12.34 H new ATOM 0 HB2 ASP A 25 -13.732 -3.455 0.026 1.00 42.22 H new ATOM 0 HB3 ASP A 25 -13.524 -4.795 -1.086 1.00 42.22 H new ATOM 383 N PRO A 26 -11.388 -6.465 -0.532 1.00 52.35 N ATOM 384 CA PRO A 26 -10.131 -6.788 -1.213 1.00 52.02 C ATOM 385 C PRO A 26 -9.777 -5.769 -2.290 1.00 62.20 C ATOM 386 O PRO A 26 -10.658 -5.176 -2.911 1.00 41.24 O ATOM 387 CB PRO A 26 -10.410 -8.156 -1.842 1.00 50.12 C ATOM 388 CG PRO A 26 -11.890 -8.199 -2.015 1.00 5.22 C ATOM 389 CD PRO A 26 -12.463 -7.414 -0.868 1.00 2.14 C ATOM 0 HA PRO A 26 -9.283 -6.783 -0.528 1.00 52.02 H new ATOM 0 HB2 PRO A 26 -9.896 -8.265 -2.797 1.00 50.12 H new ATOM 0 HB3 PRO A 26 -10.063 -8.965 -1.200 1.00 50.12 H new ATOM 0 HG2 PRO A 26 -12.184 -7.765 -2.971 1.00 5.22 H new ATOM 0 HG3 PRO A 26 -12.254 -9.226 -2.006 1.00 5.22 H new ATOM 0 HD2 PRO A 26 -13.380 -6.898 -1.153 1.00 2.14 H new ATOM 0 HD3 PRO A 26 -12.709 -8.058 -0.024 1.00 2.14 H new ATOM 394 N GLY A 27 -8.480 -5.571 -2.508 1.00 10.35 N ATOM 395 CA GLY A 27 -8.032 -4.622 -3.511 1.00 35.23 C ATOM 396 C GLY A 27 -7.826 -3.232 -2.944 1.00 23.12 C ATOM 397 O GLY A 27 -7.175 -2.392 -3.563 1.00 70.12 O ATOM 0 H GLY A 27 -7.732 -6.051 -2.008 1.00 10.35 H new ATOM 0 HA2 GLY A 27 -7.098 -4.975 -3.948 1.00 35.23 H new ATOM 0 HA3 GLY A 27 -8.764 -4.577 -4.317 1.00 35.23 H new ATOM 401 N ALA A 28 -8.383 -2.989 -1.762 1.00 24.32 N ATOM 402 CA ALA A 28 -8.256 -1.691 -1.110 1.00 42.03 C ATOM 403 C ALA A 28 -6.831 -1.460 -0.619 1.00 70.12 C ATOM 404 O ALA A 28 -6.124 -2.405 -0.268 1.00 63.50 O ATOM 405 CB ALA A 28 -9.239 -1.582 0.045 1.00 10.05 C ATOM 0 H ALA A 28 -8.926 -3.674 -1.236 1.00 24.32 H new ATOM 0 HA ALA A 28 -8.488 -0.919 -1.844 1.00 42.03 H new ATOM 0 HB1 ALA A 28 -9.133 -0.608 0.522 1.00 10.05 H new ATOM 0 HB2 ALA A 28 -10.256 -1.693 -0.331 1.00 10.05 H new ATOM 0 HB3 ALA A 28 -9.034 -2.367 0.773 1.00 10.05 H new ATOM 411 N PHE A 29 -6.415 -0.198 -0.596 1.00 31.33 N ATOM 412 CA PHE A 29 -5.073 0.157 -0.149 1.00 14.23 C ATOM 413 C PHE A 29 -5.105 1.397 0.739 1.00 55.41 C ATOM 414 O PHE A 29 -6.128 2.078 0.838 1.00 35.03 O ATOM 415 CB PHE A 29 -4.160 0.401 -1.352 1.00 2.05 C ATOM 416 CG PHE A 29 -4.469 1.669 -2.092 1.00 52.34 C ATOM 417 CD1 PHE A 29 -5.663 1.810 -2.783 1.00 43.52 C ATOM 418 CD2 PHE A 29 -3.567 2.722 -2.099 1.00 75.11 C ATOM 419 CE1 PHE A 29 -5.951 2.978 -3.465 1.00 13.20 C ATOM 420 CE2 PHE A 29 -3.851 3.890 -2.780 1.00 50.54 C ATOM 421 CZ PHE A 29 -5.044 4.018 -3.465 1.00 43.42 C ATOM 0 H PHE A 29 -6.988 0.596 -0.882 1.00 31.33 H new ATOM 0 HA PHE A 29 -4.680 -0.676 0.434 1.00 14.23 H new ATOM 0 HB2 PHE A 29 -3.125 0.432 -1.012 1.00 2.05 H new ATOM 0 HB3 PHE A 29 -4.245 -0.441 -2.039 1.00 2.05 H new ATOM 0 HD1 PHE A 29 -6.376 0.999 -2.789 1.00 43.52 H new ATOM 0 HD2 PHE A 29 -2.632 2.628 -1.566 1.00 75.11 H new ATOM 0 HE1 PHE A 29 -6.885 3.076 -3.997 1.00 13.20 H new ATOM 0 HE2 PHE A 29 -3.140 4.703 -2.777 1.00 50.54 H new ATOM 0 HZ PHE A 29 -5.266 4.930 -3.999 1.00 43.42 H new ATOM 430 N LEU A 30 -3.981 1.686 1.383 1.00 11.33 N ATOM 431 CA LEU A 30 -3.879 2.844 2.265 1.00 52.35 C ATOM 432 C LEU A 30 -2.449 3.372 2.308 1.00 54.02 C ATOM 433 O LEU A 30 -1.491 2.606 2.197 1.00 23.41 O ATOM 434 CB LEU A 30 -4.342 2.478 3.676 1.00 41.41 C ATOM 435 CG LEU A 30 -4.157 3.557 4.743 1.00 12.42 C ATOM 436 CD1 LEU A 30 -5.421 3.708 5.576 1.00 32.24 C ATOM 437 CD2 LEU A 30 -2.966 3.228 5.633 1.00 41.04 C ATOM 0 H LEU A 30 -3.126 1.134 1.312 1.00 11.33 H new ATOM 0 HA LEU A 30 -4.524 3.628 1.869 1.00 52.35 H new ATOM 0 HB2 LEU A 30 -5.399 2.215 3.633 1.00 41.41 H new ATOM 0 HB3 LEU A 30 -3.804 1.585 3.993 1.00 41.41 H new ATOM 0 HG LEU A 30 -3.961 4.505 4.243 1.00 12.42 H new ATOM 0 HD11 LEU A 30 -5.270 4.480 6.330 1.00 32.24 H new ATOM 0 HD12 LEU A 30 -6.252 3.990 4.929 1.00 32.24 H new ATOM 0 HD13 LEU A 30 -5.649 2.762 6.067 1.00 32.24 H new ATOM 0 HD21 LEU A 30 -2.849 4.007 6.387 1.00 41.04 H new ATOM 0 HD22 LEU A 30 -3.133 2.269 6.124 1.00 41.04 H new ATOM 0 HD23 LEU A 30 -2.062 3.172 5.026 1.00 41.04 H new ATOM 448 N ILE A 31 -2.312 4.683 2.471 1.00 53.12 N ATOM 449 CA ILE A 31 -0.999 5.312 2.531 1.00 41.34 C ATOM 450 C ILE A 31 -0.730 5.891 3.916 1.00 13.41 C ATOM 451 O ILE A 31 -1.612 6.490 4.532 1.00 53.33 O ATOM 452 CB ILE A 31 -0.862 6.433 1.483 1.00 2.32 C ATOM 453 CG1 ILE A 31 -1.046 5.868 0.073 1.00 5.13 C ATOM 454 CG2 ILE A 31 0.490 7.117 1.614 1.00 43.24 C ATOM 455 CD1 ILE A 31 -0.040 4.796 -0.284 1.00 0.02 C ATOM 0 H ILE A 31 -3.095 5.331 2.564 1.00 53.12 H new ATOM 0 HA ILE A 31 -0.267 4.534 2.316 1.00 41.34 H new ATOM 0 HB ILE A 31 -1.641 7.174 1.661 1.00 2.32 H new ATOM 0 HG12 ILE A 31 -2.051 5.456 -0.016 1.00 5.13 H new ATOM 0 HG13 ILE A 31 -0.970 6.681 -0.649 1.00 5.13 H new ATOM 0 HG21 ILE A 31 0.572 7.907 0.867 1.00 43.24 H new ATOM 0 HG22 ILE A 31 0.584 7.549 2.610 1.00 43.24 H new ATOM 0 HG23 ILE A 31 1.284 6.386 1.459 1.00 43.24 H new ATOM 0 HD11 ILE A 31 -0.230 4.441 -1.297 1.00 0.02 H new ATOM 0 HD12 ILE A 31 0.967 5.209 -0.227 1.00 0.02 H new ATOM 0 HD13 ILE A 31 -0.131 3.964 0.415 1.00 0.02 H new ATOM 466 N ARG A 32 0.494 5.710 4.401 1.00 73.42 N ATOM 467 CA ARG A 32 0.879 6.215 5.713 1.00 64.45 C ATOM 468 C ARG A 32 2.285 6.810 5.675 1.00 33.43 C ATOM 469 O ARG A 32 3.046 6.571 4.737 1.00 75.14 O ATOM 470 CB ARG A 32 0.817 5.094 6.752 1.00 43.32 C ATOM 471 CG ARG A 32 1.951 4.089 6.634 1.00 43.41 C ATOM 472 CD ARG A 32 1.441 2.660 6.737 1.00 51.12 C ATOM 473 NE ARG A 32 2.534 1.694 6.806 1.00 31.12 N ATOM 474 CZ ARG A 32 2.389 0.401 6.534 1.00 23.20 C ATOM 475 NH1 ARG A 32 1.205 -0.077 6.177 1.00 45.33 N ATOM 476 NH2 ARG A 32 3.431 -0.416 6.620 1.00 33.42 N ATOM 0 H ARG A 32 1.236 5.217 3.905 1.00 73.42 H new ATOM 0 HA ARG A 32 0.177 7.001 5.993 1.00 64.45 H new ATOM 0 HB2 ARG A 32 0.835 5.533 7.749 1.00 43.32 H new ATOM 0 HB3 ARG A 32 -0.133 4.570 6.652 1.00 43.32 H new ATOM 0 HG2 ARG A 32 2.463 4.226 5.681 1.00 43.41 H new ATOM 0 HG3 ARG A 32 2.684 4.272 7.419 1.00 43.41 H new ATOM 0 HD2 ARG A 32 0.814 2.562 7.623 1.00 51.12 H new ATOM 0 HD3 ARG A 32 0.813 2.436 5.875 1.00 51.12 H new ATOM 0 HE ARG A 32 3.458 2.029 7.077 1.00 31.12 H new ATOM 0 HH11 ARG A 32 0.402 0.548 6.110 1.00 45.33 H new ATOM 0 HH12 ARG A 32 1.097 -1.070 5.969 1.00 45.33 H new ATOM 0 HH21 ARG A 32 4.343 -0.052 6.895 1.00 33.42 H new ATOM 0 HH22 ARG A 32 3.320 -1.408 6.411 1.00 33.42 H new ATOM 487 N ASP A 33 2.620 7.585 6.700 1.00 25.45 N ATOM 488 CA ASP A 33 3.934 8.214 6.784 1.00 2.30 C ATOM 489 C ASP A 33 5.021 7.171 7.027 1.00 41.50 C ATOM 490 O ASP A 33 5.002 6.463 8.033 1.00 22.13 O ATOM 491 CB ASP A 33 3.952 9.257 7.903 1.00 10.44 C ATOM 492 CG ASP A 33 5.226 10.079 7.908 1.00 32.03 C ATOM 493 OD1 ASP A 33 5.988 9.996 6.923 1.00 75.44 O ATOM 494 OD2 ASP A 33 5.461 10.803 8.897 1.00 44.42 O ATOM 0 H ASP A 33 2.001 7.793 7.484 1.00 25.45 H new ATOM 0 HA ASP A 33 4.135 8.708 5.833 1.00 2.30 H new ATOM 0 HB2 ASP A 33 3.095 9.921 7.790 1.00 10.44 H new ATOM 0 HB3 ASP A 33 3.843 8.756 8.865 1.00 10.44 H new ATOM 498 N SER A 34 5.967 7.083 6.097 1.00 4.11 N ATOM 499 CA SER A 34 7.060 6.124 6.207 1.00 2.30 C ATOM 500 C SER A 34 8.260 6.747 6.914 1.00 63.43 C ATOM 501 O SER A 34 9.165 7.280 6.271 1.00 64.22 O ATOM 502 CB SER A 34 7.470 5.627 4.820 1.00 64.42 C ATOM 503 OG SER A 34 7.997 4.312 4.885 1.00 44.05 O ATOM 0 H SER A 34 5.998 7.664 5.259 1.00 4.11 H new ATOM 0 HA SER A 34 6.712 5.278 6.800 1.00 2.30 H new ATOM 0 HB2 SER A 34 6.607 5.644 4.154 1.00 64.42 H new ATOM 0 HB3 SER A 34 8.214 6.300 4.394 1.00 64.42 H new ATOM 0 HG SER A 34 8.250 4.016 3.986 1.00 44.05 H new ATOM 508 N HIS A 35 8.261 6.674 8.241 1.00 51.41 N ATOM 509 CA HIS A 35 9.350 7.230 9.036 1.00 2.51 C ATOM 510 C HIS A 35 10.596 6.356 8.937 1.00 32.34 C ATOM 511 O HIS A 35 11.683 6.758 9.351 1.00 2.43 O ATOM 512 CB HIS A 35 8.923 7.368 10.498 1.00 33.10 C ATOM 513 CG HIS A 35 8.816 6.058 11.216 1.00 11.41 C ATOM 514 ND1 HIS A 35 9.179 5.891 12.536 1.00 54.11 N ATOM 515 CD2 HIS A 35 8.380 4.849 10.791 1.00 61.00 C ATOM 516 CE1 HIS A 35 8.973 4.635 12.892 1.00 54.05 C ATOM 517 NE2 HIS A 35 8.488 3.982 11.851 1.00 32.32 N ATOM 0 H HIS A 35 7.520 6.236 8.788 1.00 51.41 H new ATOM 0 HA HIS A 35 9.589 8.217 8.641 1.00 2.51 H new ATOM 0 HB2 HIS A 35 9.641 8.001 11.019 1.00 33.10 H new ATOM 0 HB3 HIS A 35 7.960 7.876 10.540 1.00 33.10 H new ATOM 0 HD2 HIS A 35 8.015 4.611 9.803 1.00 61.00 H new ATOM 0 HE1 HIS A 35 9.168 4.214 13.867 1.00 54.05 H new ATOM 0 HE2 HIS A 35 8.235 2.994 11.837 1.00 32.32 H new ATOM 524 N SER A 36 10.430 5.157 8.387 1.00 32.32 N ATOM 525 CA SER A 36 11.540 4.223 8.239 1.00 72.10 C ATOM 526 C SER A 36 12.697 4.871 7.484 1.00 41.12 C ATOM 527 O SER A 36 13.851 4.795 7.909 1.00 15.41 O ATOM 528 CB SER A 36 11.080 2.963 7.504 1.00 74.14 C ATOM 529 OG SER A 36 10.830 1.906 8.413 1.00 13.23 O ATOM 0 H SER A 36 9.537 4.810 8.037 1.00 32.32 H new ATOM 0 HA SER A 36 11.886 3.948 9.235 1.00 72.10 H new ATOM 0 HB2 SER A 36 10.176 3.180 6.935 1.00 74.14 H new ATOM 0 HB3 SER A 36 11.842 2.658 6.787 1.00 74.14 H new ATOM 0 HG SER A 36 10.536 1.112 7.919 1.00 13.23 H new ATOM 534 N PHE A 37 12.380 5.509 6.362 1.00 3.43 N ATOM 535 CA PHE A 37 13.392 6.169 5.547 1.00 64.52 C ATOM 536 C PHE A 37 12.929 7.561 5.125 1.00 52.32 C ATOM 537 O PHE A 37 11.731 7.823 5.029 1.00 13.31 O ATOM 538 CB PHE A 37 13.709 5.328 4.309 1.00 71.44 C ATOM 539 CG PHE A 37 15.104 4.773 4.301 1.00 21.22 C ATOM 540 CD1 PHE A 37 16.200 5.617 4.207 1.00 14.40 C ATOM 541 CD2 PHE A 37 15.321 3.408 4.389 1.00 33.25 C ATOM 542 CE1 PHE A 37 17.485 5.109 4.201 1.00 63.33 C ATOM 543 CE2 PHE A 37 16.604 2.894 4.383 1.00 32.03 C ATOM 544 CZ PHE A 37 17.688 3.746 4.288 1.00 2.15 C ATOM 0 H PHE A 37 11.430 5.583 5.997 1.00 3.43 H new ATOM 0 HA PHE A 37 14.295 6.273 6.148 1.00 64.52 H new ATOM 0 HB2 PHE A 37 12.999 4.504 4.248 1.00 71.44 H new ATOM 0 HB3 PHE A 37 13.565 5.939 3.418 1.00 71.44 H new ATOM 0 HD1 PHE A 37 16.048 6.684 4.138 1.00 14.40 H new ATOM 0 HD2 PHE A 37 14.478 2.737 4.463 1.00 33.25 H new ATOM 0 HE1 PHE A 37 18.330 5.778 4.128 1.00 63.33 H new ATOM 0 HE2 PHE A 37 16.759 1.827 4.452 1.00 32.03 H new ATOM 0 HZ PHE A 37 18.691 3.347 4.282 1.00 2.15 H new ATOM 553 N GLN A 38 13.887 8.448 4.877 1.00 32.11 N ATOM 554 CA GLN A 38 13.576 9.812 4.467 1.00 25.01 C ATOM 555 C GLN A 38 12.942 9.834 3.081 1.00 11.44 C ATOM 556 O GLN A 38 13.355 9.097 2.187 1.00 71.33 O ATOM 557 CB GLN A 38 14.843 10.670 4.474 1.00 0.43 C ATOM 558 CG GLN A 38 15.977 10.087 3.645 1.00 3.31 C ATOM 559 CD GLN A 38 17.270 9.970 4.427 1.00 24.30 C ATOM 560 OE1 GLN A 38 17.483 9.002 5.157 1.00 34.22 O ATOM 561 NE2 GLN A 38 18.144 10.960 4.279 1.00 13.10 N ATOM 0 H GLN A 38 14.884 8.247 4.953 1.00 32.11 H new ATOM 0 HA GLN A 38 12.861 10.224 5.179 1.00 25.01 H new ATOM 0 HB2 GLN A 38 14.601 11.663 4.096 1.00 0.43 H new ATOM 0 HB3 GLN A 38 15.182 10.794 5.502 1.00 0.43 H new ATOM 0 HG2 GLN A 38 15.687 9.102 3.281 1.00 3.31 H new ATOM 0 HG3 GLN A 38 16.142 10.715 2.769 1.00 3.31 H new ATOM 0 HE21 GLN A 38 17.927 11.744 3.663 1.00 13.10 H new ATOM 0 HE22 GLN A 38 19.032 10.936 4.781 1.00 13.10 H new ATOM 568 N GLY A 39 11.933 10.683 2.911 1.00 72.31 N ATOM 569 CA GLY A 39 11.256 10.784 1.630 1.00 31.11 C ATOM 570 C GLY A 39 10.671 9.461 1.178 1.00 11.23 C ATOM 571 O GLY A 39 10.815 9.074 0.020 1.00 73.34 O ATOM 0 H GLY A 39 11.572 11.302 3.637 1.00 72.31 H new ATOM 0 HA2 GLY A 39 10.460 11.525 1.701 1.00 31.11 H new ATOM 0 HA3 GLY A 39 11.959 11.143 0.878 1.00 31.11 H new ATOM 575 N ALA A 40 10.009 8.763 2.096 1.00 43.45 N ATOM 576 CA ALA A 40 9.399 7.477 1.786 1.00 64.31 C ATOM 577 C ALA A 40 7.937 7.444 2.218 1.00 32.25 C ATOM 578 O ALA A 40 7.531 8.170 3.126 1.00 34.52 O ATOM 579 CB ALA A 40 10.175 6.351 2.454 1.00 53.43 C ATOM 0 H ALA A 40 9.882 9.068 3.061 1.00 43.45 H new ATOM 0 HA ALA A 40 9.434 7.337 0.706 1.00 64.31 H new ATOM 0 HB1 ALA A 40 9.709 5.395 2.214 1.00 53.43 H new ATOM 0 HB2 ALA A 40 11.203 6.354 2.093 1.00 53.43 H new ATOM 0 HB3 ALA A 40 10.170 6.496 3.534 1.00 53.43 H new ATOM 585 N TYR A 41 7.150 6.597 1.561 1.00 45.13 N ATOM 586 CA TYR A 41 5.732 6.472 1.876 1.00 44.55 C ATOM 587 C TYR A 41 5.334 5.007 2.020 1.00 5.33 C ATOM 588 O TYR A 41 5.677 4.172 1.184 1.00 43.52 O ATOM 589 CB TYR A 41 4.887 7.137 0.788 1.00 41.13 C ATOM 590 CG TYR A 41 4.524 8.572 1.096 1.00 51.25 C ATOM 591 CD1 TYR A 41 3.439 8.876 1.910 1.00 70.23 C ATOM 592 CD2 TYR A 41 5.264 9.625 0.571 1.00 25.04 C ATOM 593 CE1 TYR A 41 3.103 10.186 2.193 1.00 31.13 C ATOM 594 CE2 TYR A 41 4.936 10.937 0.851 1.00 45.13 C ATOM 595 CZ TYR A 41 3.855 11.213 1.662 1.00 1.24 C ATOM 596 OH TYR A 41 3.524 12.519 1.942 1.00 74.22 O ATOM 0 H TYR A 41 7.470 5.988 0.808 1.00 45.13 H new ATOM 0 HA TYR A 41 5.550 6.974 2.826 1.00 44.55 H new ATOM 0 HB2 TYR A 41 5.432 7.103 -0.155 1.00 41.13 H new ATOM 0 HB3 TYR A 41 3.972 6.562 0.648 1.00 41.13 H new ATOM 0 HD1 TYR A 41 2.848 8.074 2.328 1.00 70.23 H new ATOM 0 HD2 TYR A 41 6.110 9.414 -0.067 1.00 25.04 H new ATOM 0 HE1 TYR A 41 2.256 10.405 2.827 1.00 31.13 H new ATOM 0 HE2 TYR A 41 5.523 11.743 0.437 1.00 45.13 H new ATOM 0 HH TYR A 41 2.667 12.545 2.417 1.00 74.22 H new ATOM 605 N GLY A 42 4.606 4.702 3.091 1.00 75.14 N ATOM 606 CA GLY A 42 4.172 3.337 3.327 1.00 12.40 C ATOM 607 C GLY A 42 2.894 2.999 2.583 1.00 23.15 C ATOM 608 O GLY A 42 1.842 3.585 2.841 1.00 61.43 O ATOM 0 H GLY A 42 4.310 5.375 3.798 1.00 75.14 H new ATOM 0 HA2 GLY A 42 4.960 2.650 3.020 1.00 12.40 H new ATOM 0 HA3 GLY A 42 4.017 3.188 4.396 1.00 12.40 H new ATOM 612 N LEU A 43 2.986 2.050 1.658 1.00 11.54 N ATOM 613 CA LEU A 43 1.829 1.634 0.873 1.00 71.42 C ATOM 614 C LEU A 43 1.372 0.236 1.275 1.00 74.21 C ATOM 615 O LEU A 43 2.141 -0.722 1.212 1.00 2.14 O ATOM 616 CB LEU A 43 2.164 1.663 -0.620 1.00 62.23 C ATOM 617 CG LEU A 43 1.104 1.085 -1.558 1.00 1.34 C ATOM 618 CD1 LEU A 43 0.218 2.191 -2.109 1.00 54.44 C ATOM 619 CD2 LEU A 43 1.759 0.310 -2.691 1.00 62.11 C ATOM 0 H LEU A 43 3.849 1.555 1.433 1.00 11.54 H new ATOM 0 HA LEU A 43 1.016 2.333 1.071 1.00 71.42 H new ATOM 0 HB2 LEU A 43 2.351 2.697 -0.910 1.00 62.23 H new ATOM 0 HB3 LEU A 43 3.094 1.115 -0.774 1.00 62.23 H new ATOM 0 HG LEU A 43 0.479 0.397 -0.988 1.00 1.34 H new ATOM 0 HD11 LEU A 43 -0.530 1.760 -2.774 1.00 54.44 H new ATOM 0 HD12 LEU A 43 -0.280 2.702 -1.285 1.00 54.44 H new ATOM 0 HD13 LEU A 43 0.828 2.904 -2.663 1.00 54.44 H new ATOM 0 HD21 LEU A 43 0.989 -0.094 -3.348 1.00 62.11 H new ATOM 0 HD22 LEU A 43 2.409 0.976 -3.259 1.00 62.11 H new ATOM 0 HD23 LEU A 43 2.350 -0.508 -2.278 1.00 62.11 H new ATOM 630 N ALA A 44 0.113 0.126 1.686 1.00 53.01 N ATOM 631 CA ALA A 44 -0.450 -1.155 2.094 1.00 22.44 C ATOM 632 C ALA A 44 -1.607 -1.561 1.189 1.00 72.31 C ATOM 633 O ALA A 44 -2.444 -0.734 0.826 1.00 61.32 O ATOM 634 CB ALA A 44 -0.907 -1.093 3.544 1.00 22.33 C ATOM 0 H ALA A 44 -0.537 0.910 1.745 1.00 53.01 H new ATOM 0 HA ALA A 44 0.330 -1.911 2.002 1.00 22.44 H new ATOM 0 HB1 ALA A 44 -1.325 -2.057 3.835 1.00 22.33 H new ATOM 0 HB2 ALA A 44 -0.056 -0.858 4.184 1.00 22.33 H new ATOM 0 HB3 ALA A 44 -1.667 -0.320 3.653 1.00 22.33 H new ATOM 640 N LEU A 45 -1.649 -2.838 0.827 1.00 12.43 N ATOM 641 CA LEU A 45 -2.706 -3.354 -0.037 1.00 25.34 C ATOM 642 C LEU A 45 -3.241 -4.681 0.490 1.00 4.14 C ATOM 643 O LEU A 45 -2.488 -5.505 1.010 1.00 50.34 O ATOM 644 CB LEU A 45 -2.182 -3.533 -1.464 1.00 43.41 C ATOM 645 CG LEU A 45 -3.038 -4.397 -2.390 1.00 0.41 C ATOM 646 CD1 LEU A 45 -4.441 -3.822 -2.509 1.00 34.53 C ATOM 647 CD2 LEU A 45 -2.390 -4.515 -3.760 1.00 64.42 C ATOM 0 H LEU A 45 -0.964 -3.536 1.118 1.00 12.43 H new ATOM 0 HA LEU A 45 -3.522 -2.631 -0.043 1.00 25.34 H new ATOM 0 HB2 LEU A 45 -2.075 -2.547 -1.916 1.00 43.41 H new ATOM 0 HB3 LEU A 45 -1.185 -3.970 -1.411 1.00 43.41 H new ATOM 0 HG LEU A 45 -3.112 -5.395 -1.959 1.00 0.41 H new ATOM 0 HD11 LEU A 45 -5.036 -4.450 -3.172 1.00 34.53 H new ATOM 0 HD12 LEU A 45 -4.906 -3.791 -1.524 1.00 34.53 H new ATOM 0 HD13 LEU A 45 -4.387 -2.813 -2.917 1.00 34.53 H new ATOM 0 HD21 LEU A 45 -3.014 -5.134 -4.405 1.00 64.42 H new ATOM 0 HD22 LEU A 45 -2.285 -3.523 -4.199 1.00 64.42 H new ATOM 0 HD23 LEU A 45 -1.406 -4.973 -3.659 1.00 64.42 H new ATOM 658 N LYS A 46 -4.546 -4.884 0.350 1.00 11.43 N ATOM 659 CA LYS A 46 -5.184 -6.112 0.809 1.00 13.34 C ATOM 660 C LYS A 46 -5.468 -7.049 -0.362 1.00 44.12 C ATOM 661 O LYS A 46 -5.964 -6.622 -1.405 1.00 24.12 O ATOM 662 CB LYS A 46 -6.487 -5.791 1.545 1.00 32.43 C ATOM 663 CG LYS A 46 -6.944 -6.896 2.482 1.00 50.21 C ATOM 664 CD LYS A 46 -8.407 -7.244 2.262 1.00 74.04 C ATOM 665 CE LYS A 46 -8.840 -8.413 3.134 1.00 41.05 C ATOM 666 NZ LYS A 46 -9.865 -8.008 4.135 1.00 52.35 N ATOM 0 H LYS A 46 -5.184 -4.213 -0.078 1.00 11.43 H new ATOM 0 HA LYS A 46 -4.500 -6.612 1.495 1.00 13.34 H new ATOM 0 HB2 LYS A 46 -6.355 -4.873 2.117 1.00 32.43 H new ATOM 0 HB3 LYS A 46 -7.271 -5.600 0.812 1.00 32.43 H new ATOM 0 HG2 LYS A 46 -6.331 -7.783 2.326 1.00 50.21 H new ATOM 0 HG3 LYS A 46 -6.795 -6.583 3.515 1.00 50.21 H new ATOM 0 HD2 LYS A 46 -9.026 -6.375 2.484 1.00 74.04 H new ATOM 0 HD3 LYS A 46 -8.569 -7.492 1.213 1.00 74.04 H new ATOM 0 HE2 LYS A 46 -9.241 -9.207 2.504 1.00 41.05 H new ATOM 0 HE3 LYS A 46 -7.971 -8.823 3.649 1.00 41.05 H new ATOM 0 HZ1 LYS A 46 -9.998 -8.774 4.825 1.00 52.35 H new ATOM 0 HZ2 LYS A 46 -9.548 -7.149 4.628 1.00 52.35 H new ATOM 0 HZ3 LYS A 46 -10.766 -7.818 3.652 1.00 52.35 H new ATOM 676 N VAL A 47 -5.149 -8.326 -0.182 1.00 13.34 N ATOM 677 CA VAL A 47 -5.372 -9.323 -1.223 1.00 11.14 C ATOM 678 C VAL A 47 -6.324 -10.414 -0.745 1.00 4.41 C ATOM 679 O VAL A 47 -6.536 -10.584 0.456 1.00 41.41 O ATOM 680 CB VAL A 47 -4.049 -9.972 -1.671 1.00 41.51 C ATOM 681 CG1 VAL A 47 -3.084 -8.916 -2.188 1.00 11.10 C ATOM 682 CG2 VAL A 47 -3.427 -10.758 -0.527 1.00 21.03 C ATOM 0 H VAL A 47 -4.735 -8.695 0.674 1.00 13.34 H new ATOM 0 HA VAL A 47 -5.818 -8.802 -2.070 1.00 11.14 H new ATOM 0 HB VAL A 47 -4.262 -10.665 -2.485 1.00 41.51 H new ATOM 0 HG11 VAL A 47 -2.155 -9.393 -2.500 1.00 11.10 H new ATOM 0 HG12 VAL A 47 -3.530 -8.400 -3.038 1.00 11.10 H new ATOM 0 HG13 VAL A 47 -2.874 -8.196 -1.397 1.00 11.10 H new ATOM 0 HG21 VAL A 47 -2.493 -11.210 -0.861 1.00 21.03 H new ATOM 0 HG22 VAL A 47 -3.227 -10.087 0.309 1.00 21.03 H new ATOM 0 HG23 VAL A 47 -4.115 -11.541 -0.207 1.00 21.03 H new ATOM 692 N ALA A 48 -6.893 -11.151 -1.692 1.00 11.53 N ATOM 693 CA ALA A 48 -7.821 -12.228 -1.367 1.00 73.15 C ATOM 694 C ALA A 48 -7.274 -13.578 -1.817 1.00 22.31 C ATOM 695 O ALA A 48 -7.764 -14.629 -1.402 1.00 13.22 O ATOM 696 CB ALA A 48 -9.178 -11.967 -2.006 1.00 63.21 C ATOM 0 H ALA A 48 -6.728 -11.023 -2.690 1.00 11.53 H new ATOM 0 HA ALA A 48 -7.941 -12.256 -0.284 1.00 73.15 H new ATOM 0 HB1 ALA A 48 -9.861 -12.779 -1.755 1.00 63.21 H new ATOM 0 HB2 ALA A 48 -9.581 -11.026 -1.633 1.00 63.21 H new ATOM 0 HB3 ALA A 48 -9.065 -11.909 -3.089 1.00 63.21 H new ATOM 702 N THR A 49 -6.255 -13.544 -2.670 1.00 25.13 N ATOM 703 CA THR A 49 -5.642 -14.765 -3.178 1.00 43.23 C ATOM 704 C THR A 49 -4.260 -14.981 -2.571 1.00 1.51 C ATOM 705 O THR A 49 -3.247 -14.514 -3.091 1.00 41.52 O ATOM 706 CB THR A 49 -5.516 -14.734 -4.713 1.00 24.21 C ATOM 707 OG1 THR A 49 -4.635 -13.678 -5.110 1.00 72.23 O ATOM 708 CG2 THR A 49 -6.877 -14.538 -5.363 1.00 22.23 C ATOM 0 H THR A 49 -5.837 -12.684 -3.024 1.00 25.13 H new ATOM 0 HA THR A 49 -6.295 -15.589 -2.891 1.00 43.23 H new ATOM 0 HB THR A 49 -5.108 -15.690 -5.042 1.00 24.21 H new ATOM 0 HG1 THR A 49 -3.820 -13.711 -4.567 1.00 72.23 H new ATOM 0 HG21 THR A 49 -6.763 -14.519 -6.447 1.00 22.23 H new ATOM 0 HG22 THR A 49 -7.536 -15.359 -5.081 1.00 22.23 H new ATOM 0 HG23 THR A 49 -7.308 -13.595 -5.027 1.00 22.23 H new ATOM 716 N PRO A 50 -4.216 -15.705 -1.442 1.00 24.42 N ATOM 717 CA PRO A 50 -2.964 -16.001 -0.740 1.00 64.40 C ATOM 718 C PRO A 50 -2.079 -16.971 -1.515 1.00 72.42 C ATOM 719 O PRO A 50 -2.505 -17.598 -2.486 1.00 14.40 O ATOM 720 CB PRO A 50 -3.433 -16.635 0.571 1.00 21.52 C ATOM 721 CG PRO A 50 -4.771 -17.209 0.256 1.00 22.21 C ATOM 722 CD PRO A 50 -5.384 -16.293 -0.766 1.00 32.24 C ATOM 0 HA PRO A 50 -2.354 -15.108 -0.603 1.00 64.40 H new ATOM 0 HB2 PRO A 50 -2.740 -17.406 0.908 1.00 21.52 H new ATOM 0 HB3 PRO A 50 -3.497 -15.894 1.368 1.00 21.52 H new ATOM 0 HG2 PRO A 50 -4.679 -18.223 -0.134 1.00 22.21 H new ATOM 0 HG3 PRO A 50 -5.391 -17.267 1.150 1.00 22.21 H new ATOM 0 HD2 PRO A 50 -6.020 -16.838 -1.464 1.00 32.24 H new ATOM 0 HD3 PRO A 50 -6.005 -15.528 -0.299 1.00 32.24 H new ATOM 727 N PRO A 51 -0.817 -17.101 -1.080 1.00 32.32 N ATOM 728 CA PRO A 51 0.153 -17.995 -1.718 1.00 64.55 C ATOM 729 C PRO A 51 -0.179 -19.466 -1.494 1.00 61.41 C ATOM 730 O PRO A 51 -1.021 -19.818 -0.668 1.00 14.03 O ATOM 731 CB PRO A 51 1.473 -17.635 -1.033 1.00 5.30 C ATOM 732 CG PRO A 51 1.073 -17.082 0.292 1.00 23.03 C ATOM 733 CD PRO A 51 -0.241 -16.385 0.071 1.00 64.51 C ATOM 0 HA PRO A 51 0.171 -17.869 -2.801 1.00 64.55 H new ATOM 0 HB2 PRO A 51 2.112 -18.511 -0.920 1.00 5.30 H new ATOM 0 HB3 PRO A 51 2.034 -16.903 -1.614 1.00 5.30 H new ATOM 0 HG2 PRO A 51 0.974 -17.876 1.032 1.00 23.03 H new ATOM 0 HG3 PRO A 51 1.825 -16.388 0.668 1.00 23.03 H new ATOM 0 HD2 PRO A 51 -0.884 -16.452 0.949 1.00 64.51 H new ATOM 0 HD3 PRO A 51 -0.103 -15.325 -0.143 1.00 64.51 H new ATOM 738 N PRO A 52 0.497 -20.348 -2.245 1.00 24.23 N ATOM 739 CA PRO A 52 0.292 -21.796 -2.145 1.00 42.31 C ATOM 740 C PRO A 52 0.814 -22.366 -0.831 1.00 12.31 C ATOM 741 O PRO A 52 0.217 -23.278 -0.258 1.00 65.44 O ATOM 742 CB PRO A 52 1.094 -22.350 -3.325 1.00 12.34 C ATOM 743 CG PRO A 52 2.141 -21.324 -3.587 1.00 32.24 C ATOM 744 CD PRO A 52 1.516 -19.999 -3.250 1.00 24.32 C ATOM 0 HA PRO A 52 -0.765 -22.061 -2.169 1.00 42.31 H new ATOM 0 HB2 PRO A 52 1.538 -23.316 -3.083 1.00 12.34 H new ATOM 0 HB3 PRO A 52 0.460 -22.500 -4.199 1.00 12.34 H new ATOM 0 HG2 PRO A 52 3.026 -21.505 -2.976 1.00 32.24 H new ATOM 0 HG3 PRO A 52 2.461 -21.351 -4.628 1.00 32.24 H new ATOM 0 HD2 PRO A 52 2.250 -19.298 -2.852 1.00 24.32 H new ATOM 0 HD3 PRO A 52 1.071 -19.530 -4.127 1.00 24.32 H new ATOM 749 N SER A 53 1.931 -21.823 -0.358 1.00 24.41 N ATOM 750 CA SER A 53 2.536 -22.281 0.888 1.00 73.35 C ATOM 751 C SER A 53 3.013 -21.099 1.727 1.00 74.24 C ATOM 752 O SER A 53 2.412 -20.764 2.746 1.00 2.25 O ATOM 753 CB SER A 53 3.708 -23.219 0.596 1.00 0.23 C ATOM 754 OG SER A 53 3.398 -24.552 0.964 1.00 2.33 O ATOM 0 H SER A 53 2.436 -21.066 -0.818 1.00 24.41 H new ATOM 0 HA SER A 53 1.778 -22.823 1.453 1.00 73.35 H new ATOM 0 HB2 SER A 53 3.954 -23.179 -0.465 1.00 0.23 H new ATOM 0 HB3 SER A 53 4.591 -22.884 1.141 1.00 0.23 H new ATOM 0 HG SER A 53 4.162 -25.132 0.766 1.00 2.33 H new ATOM 759 N ALA A 54 4.099 -20.470 1.287 1.00 13.44 N ATOM 760 CA ALA A 54 4.657 -19.324 1.996 1.00 74.14 C ATOM 761 C ALA A 54 5.370 -19.761 3.270 1.00 13.20 C ATOM 762 O ALA A 54 6.573 -19.551 3.421 1.00 51.51 O ATOM 763 CB ALA A 54 3.560 -18.319 2.319 1.00 65.21 C ATOM 0 H ALA A 54 4.609 -20.734 0.444 1.00 13.44 H new ATOM 0 HA ALA A 54 5.391 -18.847 1.346 1.00 74.14 H new ATOM 0 HB1 ALA A 54 3.990 -17.469 2.848 1.00 65.21 H new ATOM 0 HB2 ALA A 54 3.098 -17.975 1.394 1.00 65.21 H new ATOM 0 HB3 ALA A 54 2.806 -18.793 2.947 1.00 65.21 H new ATOM 769 N GLN A 55 4.619 -20.368 4.185 1.00 61.34 N ATOM 770 CA GLN A 55 5.182 -20.832 5.447 1.00 70.12 C ATOM 771 C GLN A 55 4.109 -21.483 6.314 1.00 21.32 C ATOM 772 O GLN A 55 4.187 -22.663 6.659 1.00 4.31 O ATOM 773 CB GLN A 55 5.826 -19.667 6.202 1.00 31.51 C ATOM 774 CG GLN A 55 7.327 -19.821 6.390 1.00 32.12 C ATOM 775 CD GLN A 55 7.926 -18.708 7.226 1.00 65.33 C ATOM 776 OE1 GLN A 55 8.758 -17.935 6.748 1.00 23.40 O ATOM 777 NE2 GLN A 55 7.507 -18.618 8.482 1.00 4.11 N ATOM 0 H GLN A 55 3.621 -20.549 4.075 1.00 61.34 H new ATOM 0 HA GLN A 55 5.945 -21.577 5.223 1.00 70.12 H new ATOM 0 HB2 GLN A 55 5.629 -18.741 5.662 1.00 31.51 H new ATOM 0 HB3 GLN A 55 5.353 -19.573 7.180 1.00 31.51 H new ATOM 0 HG2 GLN A 55 7.534 -20.780 6.866 1.00 32.12 H new ATOM 0 HG3 GLN A 55 7.812 -19.839 5.414 1.00 32.12 H new ATOM 0 HE21 GLN A 55 6.816 -19.279 8.838 1.00 4.11 H new ATOM 0 HE22 GLN A 55 7.876 -17.888 9.091 1.00 4.11 H new ATOM 784 N PRO A 56 3.082 -20.699 6.674 1.00 3.31 N ATOM 785 CA PRO A 56 1.974 -21.179 7.504 1.00 2.52 C ATOM 786 C PRO A 56 1.083 -22.172 6.766 1.00 0.22 C ATOM 787 O PRO A 56 0.789 -21.996 5.584 1.00 73.52 O ATOM 788 CB PRO A 56 1.195 -19.901 7.829 1.00 13.12 C ATOM 789 CG PRO A 56 1.512 -18.970 6.711 1.00 31.33 C ATOM 790 CD PRO A 56 2.924 -19.284 6.299 1.00 73.43 C ATOM 0 HA PRO A 56 2.328 -21.715 8.384 1.00 2.52 H new ATOM 0 HB2 PRO A 56 0.124 -20.095 7.891 1.00 13.12 H new ATOM 0 HB3 PRO A 56 1.500 -19.485 8.789 1.00 13.12 H new ATOM 0 HG2 PRO A 56 0.822 -19.110 5.879 1.00 31.33 H new ATOM 0 HG3 PRO A 56 1.420 -17.932 7.030 1.00 31.33 H new ATOM 0 HD2 PRO A 56 3.074 -19.132 5.230 1.00 73.43 H new ATOM 0 HD3 PRO A 56 3.644 -18.649 6.815 1.00 73.43 H new ATOM 795 N TRP A 57 0.657 -23.214 7.470 1.00 22.33 N ATOM 796 CA TRP A 57 -0.201 -24.236 6.880 1.00 22.14 C ATOM 797 C TRP A 57 -1.572 -24.246 7.546 1.00 72.03 C ATOM 798 O TRP A 57 -1.818 -23.501 8.495 1.00 13.24 O ATOM 799 CB TRP A 57 0.451 -25.614 7.007 1.00 71.21 C ATOM 800 CG TRP A 57 0.905 -26.179 5.694 1.00 4.31 C ATOM 801 CD1 TRP A 57 1.962 -25.754 4.941 1.00 51.25 C ATOM 802 CD2 TRP A 57 0.315 -27.272 4.981 1.00 44.42 C ATOM 803 NE1 TRP A 57 2.064 -26.516 3.802 1.00 22.41 N ATOM 804 CE2 TRP A 57 1.066 -27.454 3.804 1.00 63.21 C ATOM 805 CE3 TRP A 57 -0.773 -28.114 5.224 1.00 62.40 C ATOM 806 CZ2 TRP A 57 0.761 -28.443 2.874 1.00 33.52 C ATOM 807 CZ3 TRP A 57 -1.075 -29.095 4.299 1.00 44.00 C ATOM 808 CH2 TRP A 57 -0.309 -29.254 3.136 1.00 11.10 C ATOM 0 H TRP A 57 0.891 -23.374 8.450 1.00 22.33 H new ATOM 0 HA TRP A 57 -0.332 -24.000 5.824 1.00 22.14 H new ATOM 0 HB2 TRP A 57 1.306 -25.543 7.679 1.00 71.21 H new ATOM 0 HB3 TRP A 57 -0.258 -26.303 7.465 1.00 71.21 H new ATOM 0 HD1 TRP A 57 2.621 -24.939 5.202 1.00 51.25 H new ATOM 0 HE1 TRP A 57 2.769 -26.402 3.073 1.00 22.41 H new ATOM 0 HE3 TRP A 57 -1.367 -28.000 6.119 1.00 62.40 H new ATOM 0 HZ2 TRP A 57 1.349 -28.566 1.976 1.00 33.52 H new ATOM 0 HZ3 TRP A 57 -1.915 -29.750 4.475 1.00 44.00 H new ATOM 0 HH2 TRP A 57 -0.569 -30.032 2.433 1.00 11.10 H new ATOM 818 N LYS A 58 -2.462 -25.094 7.044 1.00 12.31 N ATOM 819 CA LYS A 58 -3.810 -25.203 7.591 1.00 52.14 C ATOM 820 C LYS A 58 -4.486 -23.837 7.647 1.00 41.03 C ATOM 821 O LYS A 58 -4.890 -23.377 8.714 1.00 63.13 O ATOM 822 CB LYS A 58 -3.766 -25.820 8.990 1.00 71.01 C ATOM 823 CG LYS A 58 -5.067 -26.489 9.400 1.00 5.53 C ATOM 824 CD LYS A 58 -4.853 -27.473 10.540 1.00 63.44 C ATOM 825 CE LYS A 58 -6.142 -28.192 10.905 1.00 21.22 C ATOM 826 NZ LYS A 58 -7.046 -27.331 11.717 1.00 32.21 N ATOM 0 H LYS A 58 -2.275 -25.717 6.258 1.00 12.31 H new ATOM 0 HA LYS A 58 -4.391 -25.850 6.934 1.00 52.14 H new ATOM 0 HB2 LYS A 58 -2.961 -26.554 9.029 1.00 71.01 H new ATOM 0 HB3 LYS A 58 -3.523 -25.042 9.714 1.00 71.01 H new ATOM 0 HG2 LYS A 58 -5.788 -25.730 9.704 1.00 5.53 H new ATOM 0 HG3 LYS A 58 -5.495 -27.010 8.544 1.00 5.53 H new ATOM 0 HD2 LYS A 58 -4.096 -28.203 10.254 1.00 63.44 H new ATOM 0 HD3 LYS A 58 -4.471 -26.943 11.413 1.00 63.44 H new ATOM 0 HE2 LYS A 58 -6.656 -28.501 9.995 1.00 21.22 H new ATOM 0 HE3 LYS A 58 -5.907 -29.099 11.462 1.00 21.22 H new ATOM 0 HZ1 LYS A 58 -7.914 -27.857 11.946 1.00 32.21 H new ATOM 0 HZ2 LYS A 58 -6.565 -27.056 12.598 1.00 32.21 H new ATOM 0 HZ3 LYS A 58 -7.291 -26.477 11.176 1.00 32.21 H new ATOM 836 N GLY A 59 -4.607 -23.193 6.489 1.00 30.43 N ATOM 837 CA GLY A 59 -5.236 -21.886 6.430 1.00 35.20 C ATOM 838 C GLY A 59 -4.410 -20.814 7.109 1.00 61.15 C ATOM 839 O GLY A 59 -3.267 -21.054 7.501 1.00 34.14 O ATOM 0 H GLY A 59 -4.281 -23.553 5.592 1.00 30.43 H new ATOM 0 HA2 GLY A 59 -5.397 -21.610 5.388 1.00 35.20 H new ATOM 0 HA3 GLY A 59 -6.217 -21.937 6.901 1.00 35.20 H new ATOM 843 N ASP A 60 -4.986 -19.624 7.248 1.00 34.32 N ATOM 844 CA ASP A 60 -4.295 -18.509 7.885 1.00 21.52 C ATOM 845 C ASP A 60 -5.215 -17.299 8.009 1.00 72.52 C ATOM 846 O ASP A 60 -6.222 -17.180 7.312 1.00 12.03 O ATOM 847 CB ASP A 60 -3.044 -18.135 7.087 1.00 42.30 C ATOM 848 CG ASP A 60 -3.224 -18.343 5.597 1.00 71.51 C ATOM 849 OD1 ASP A 60 -4.059 -17.636 4.995 1.00 35.11 O ATOM 850 OD2 ASP A 60 -2.528 -19.213 5.032 1.00 54.14 O ATOM 0 H ASP A 60 -5.930 -19.407 6.928 1.00 34.32 H new ATOM 0 HA ASP A 60 -3.999 -18.821 8.886 1.00 21.52 H new ATOM 0 HB2 ASP A 60 -2.794 -17.091 7.277 1.00 42.30 H new ATOM 0 HB3 ASP A 60 -2.202 -18.733 7.435 1.00 42.30 H new ATOM 854 N PRO A 61 -4.862 -16.378 8.918 1.00 52.10 N ATOM 855 CA PRO A 61 -5.643 -15.160 9.155 1.00 11.24 C ATOM 856 C PRO A 61 -5.561 -14.182 7.989 1.00 1.34 C ATOM 857 O PRO A 61 -4.779 -14.374 7.058 1.00 22.33 O ATOM 858 CB PRO A 61 -4.992 -14.560 10.404 1.00 33.03 C ATOM 859 CG PRO A 61 -3.597 -15.081 10.393 1.00 74.20 C ATOM 860 CD PRO A 61 -3.673 -16.454 9.784 1.00 72.41 C ATOM 0 HA PRO A 61 -6.706 -15.373 9.271 1.00 11.24 H new ATOM 0 HB2 PRO A 61 -5.008 -13.471 10.374 1.00 33.03 H new ATOM 0 HB3 PRO A 61 -5.520 -14.861 11.309 1.00 33.03 H new ATOM 0 HG2 PRO A 61 -2.942 -14.432 9.811 1.00 74.20 H new ATOM 0 HG3 PRO A 61 -3.188 -15.124 11.403 1.00 74.20 H new ATOM 0 HD2 PRO A 61 -2.775 -16.691 9.214 1.00 72.41 H new ATOM 0 HD3 PRO A 61 -3.780 -17.226 10.546 1.00 72.41 H new ATOM 865 N VAL A 62 -6.374 -13.131 8.045 1.00 34.54 N ATOM 866 CA VAL A 62 -6.391 -12.122 6.993 1.00 50.31 C ATOM 867 C VAL A 62 -5.180 -11.201 7.095 1.00 13.42 C ATOM 868 O VAL A 62 -4.762 -10.600 6.107 1.00 41.24 O ATOM 869 CB VAL A 62 -7.675 -11.273 7.052 1.00 1.43 C ATOM 870 CG1 VAL A 62 -7.772 -10.366 5.836 1.00 73.44 C ATOM 871 CG2 VAL A 62 -8.901 -12.167 7.161 1.00 74.43 C ATOM 0 H VAL A 62 -7.029 -12.957 8.807 1.00 34.54 H new ATOM 0 HA VAL A 62 -6.359 -12.654 6.042 1.00 50.31 H new ATOM 0 HB VAL A 62 -7.633 -10.644 7.941 1.00 1.43 H new ATOM 0 HG11 VAL A 62 -8.685 -9.774 5.895 1.00 73.44 H new ATOM 0 HG12 VAL A 62 -6.909 -9.700 5.809 1.00 73.44 H new ATOM 0 HG13 VAL A 62 -7.791 -10.972 4.930 1.00 73.44 H new ATOM 0 HG21 VAL A 62 -9.799 -11.550 7.202 1.00 74.43 H new ATOM 0 HG22 VAL A 62 -8.951 -12.824 6.292 1.00 74.43 H new ATOM 0 HG23 VAL A 62 -8.833 -12.769 8.067 1.00 74.43 H new ATOM 881 N GLU A 63 -4.623 -11.097 8.298 1.00 60.05 N ATOM 882 CA GLU A 63 -3.460 -10.248 8.528 1.00 32.44 C ATOM 883 C GLU A 63 -2.296 -10.667 7.635 1.00 65.41 C ATOM 884 O GLU A 63 -1.416 -9.863 7.327 1.00 11.31 O ATOM 885 CB GLU A 63 -3.038 -10.311 9.998 1.00 72.24 C ATOM 886 CG GLU A 63 -2.347 -11.610 10.377 1.00 11.33 C ATOM 887 CD GLU A 63 -0.851 -11.568 10.137 1.00 53.01 C ATOM 888 OE1 GLU A 63 -0.174 -10.716 10.749 1.00 53.14 O ATOM 889 OE2 GLU A 63 -0.357 -12.388 9.335 1.00 5.21 O ATOM 0 H GLU A 63 -4.958 -11.589 9.126 1.00 60.05 H new ATOM 0 HA GLU A 63 -3.735 -9.223 8.280 1.00 32.44 H new ATOM 0 HB2 GLU A 63 -2.369 -9.477 10.211 1.00 72.24 H new ATOM 0 HB3 GLU A 63 -3.919 -10.181 10.626 1.00 72.24 H new ATOM 0 HG2 GLU A 63 -2.536 -11.824 11.429 1.00 11.33 H new ATOM 0 HG3 GLU A 63 -2.780 -12.428 9.802 1.00 11.33 H new ATOM 894 N GLN A 64 -2.297 -11.931 7.224 1.00 50.01 N ATOM 895 CA GLN A 64 -1.241 -12.457 6.368 1.00 51.01 C ATOM 896 C GLN A 64 -1.512 -12.128 4.904 1.00 24.10 C ATOM 897 O GLN A 64 -0.628 -12.251 4.054 1.00 42.41 O ATOM 898 CB GLN A 64 -1.115 -13.971 6.548 1.00 53.35 C ATOM 899 CG GLN A 64 0.183 -14.399 7.212 1.00 74.45 C ATOM 900 CD GLN A 64 0.991 -15.351 6.352 1.00 62.44 C ATOM 901 OE1 GLN A 64 0.436 -16.191 5.644 1.00 2.45 O ATOM 902 NE2 GLN A 64 2.312 -15.222 6.408 1.00 23.40 N ATOM 0 H GLN A 64 -3.018 -12.610 7.470 1.00 50.01 H new ATOM 0 HA GLN A 64 -0.303 -11.985 6.660 1.00 51.01 H new ATOM 0 HB2 GLN A 64 -1.954 -14.328 7.145 1.00 53.35 H new ATOM 0 HB3 GLN A 64 -1.190 -14.452 5.573 1.00 53.35 H new ATOM 0 HG2 GLN A 64 0.783 -13.516 7.432 1.00 74.45 H new ATOM 0 HG3 GLN A 64 -0.041 -14.878 8.165 1.00 74.45 H new ATOM 0 HE21 GLN A 64 2.730 -14.512 7.009 1.00 23.40 H new ATOM 0 HE22 GLN A 64 2.908 -15.833 5.850 1.00 23.40 H new ATOM 909 N LEU A 65 -2.739 -11.710 4.614 1.00 4.41 N ATOM 910 CA LEU A 65 -3.128 -11.363 3.252 1.00 53.03 C ATOM 911 C LEU A 65 -2.905 -9.878 2.982 1.00 25.54 C ATOM 912 O LEU A 65 -3.402 -9.333 1.998 1.00 11.00 O ATOM 913 CB LEU A 65 -4.596 -11.721 3.012 1.00 45.22 C ATOM 914 CG LEU A 65 -4.871 -13.150 2.543 1.00 61.23 C ATOM 915 CD1 LEU A 65 -6.332 -13.512 2.762 1.00 62.13 C ATOM 916 CD2 LEU A 65 -4.492 -13.312 1.078 1.00 53.22 C ATOM 0 H LEU A 65 -3.482 -11.603 5.304 1.00 4.41 H new ATOM 0 HA LEU A 65 -2.504 -11.936 2.566 1.00 53.03 H new ATOM 0 HB2 LEU A 65 -5.146 -11.552 3.937 1.00 45.22 H new ATOM 0 HB3 LEU A 65 -5.000 -11.032 2.270 1.00 45.22 H new ATOM 0 HG LEU A 65 -4.258 -13.831 3.133 1.00 61.23 H new ATOM 0 HD11 LEU A 65 -6.509 -14.533 2.422 1.00 62.13 H new ATOM 0 HD12 LEU A 65 -6.571 -13.436 3.823 1.00 62.13 H new ATOM 0 HD13 LEU A 65 -6.965 -12.827 2.198 1.00 62.13 H new ATOM 0 HD21 LEU A 65 -4.694 -14.335 0.761 1.00 53.22 H new ATOM 0 HD22 LEU A 65 -5.079 -12.622 0.472 1.00 53.22 H new ATOM 0 HD23 LEU A 65 -3.431 -13.096 0.951 1.00 53.22 H new ATOM 927 N VAL A 66 -2.149 -9.230 3.864 1.00 53.32 N ATOM 928 CA VAL A 66 -1.856 -7.809 3.721 1.00 72.30 C ATOM 929 C VAL A 66 -0.392 -7.584 3.358 1.00 12.42 C ATOM 930 O VAL A 66 0.509 -8.003 4.084 1.00 42.34 O ATOM 931 CB VAL A 66 -2.178 -7.036 5.013 1.00 10.34 C ATOM 932 CG1 VAL A 66 -2.007 -5.540 4.798 1.00 53.01 C ATOM 933 CG2 VAL A 66 -3.587 -7.356 5.487 1.00 10.44 C ATOM 0 H VAL A 66 -1.729 -9.667 4.684 1.00 53.32 H new ATOM 0 HA VAL A 66 -2.489 -7.435 2.916 1.00 72.30 H new ATOM 0 HB VAL A 66 -1.478 -7.350 5.787 1.00 10.34 H new ATOM 0 HG11 VAL A 66 -2.239 -5.011 5.722 1.00 53.01 H new ATOM 0 HG12 VAL A 66 -0.978 -5.329 4.508 1.00 53.01 H new ATOM 0 HG13 VAL A 66 -2.682 -5.206 4.010 1.00 53.01 H new ATOM 0 HG21 VAL A 66 -3.798 -6.801 6.401 1.00 10.44 H new ATOM 0 HG22 VAL A 66 -4.303 -7.072 4.716 1.00 10.44 H new ATOM 0 HG23 VAL A 66 -3.671 -8.425 5.684 1.00 10.44 H new ATOM 943 N ARG A 67 -0.163 -6.919 2.230 1.00 15.23 N ATOM 944 CA ARG A 67 1.192 -6.639 1.770 1.00 0.32 C ATOM 945 C ARG A 67 1.507 -5.150 1.883 1.00 11.34 C ATOM 946 O ARG A 67 0.880 -4.320 1.224 1.00 14.11 O ATOM 947 CB ARG A 67 1.367 -7.100 0.323 1.00 63.22 C ATOM 948 CG ARG A 67 2.425 -8.178 0.151 1.00 33.13 C ATOM 949 CD ARG A 67 1.875 -9.385 -0.594 1.00 42.15 C ATOM 950 NE ARG A 67 2.931 -10.149 -1.253 1.00 42.31 N ATOM 951 CZ ARG A 67 2.702 -11.051 -2.201 1.00 63.12 C ATOM 952 NH1 ARG A 67 1.463 -11.300 -2.599 1.00 10.21 N ATOM 953 NH2 ARG A 67 3.716 -11.706 -2.753 1.00 62.25 N ATOM 0 H ARG A 67 -0.898 -6.564 1.618 1.00 15.23 H new ATOM 0 HA ARG A 67 1.886 -7.189 2.405 1.00 0.32 H new ATOM 0 HB2 ARG A 67 0.413 -7.476 -0.047 1.00 63.22 H new ATOM 0 HB3 ARG A 67 1.632 -6.241 -0.294 1.00 63.22 H new ATOM 0 HG2 ARG A 67 3.277 -7.770 -0.394 1.00 33.13 H new ATOM 0 HG3 ARG A 67 2.792 -8.489 1.129 1.00 33.13 H new ATOM 0 HD2 ARG A 67 1.343 -10.030 0.105 1.00 42.15 H new ATOM 0 HD3 ARG A 67 1.150 -9.053 -1.337 1.00 42.15 H new ATOM 0 HE ARG A 67 3.896 -9.981 -0.970 1.00 42.31 H new ATOM 0 HH11 ARG A 67 0.681 -10.798 -2.177 1.00 10.21 H new ATOM 0 HH12 ARG A 67 1.291 -11.993 -3.327 1.00 10.21 H new ATOM 0 HH21 ARG A 67 4.671 -11.517 -2.449 1.00 62.25 H new ATOM 0 HH22 ARG A 67 3.540 -12.399 -3.481 1.00 62.25 H new ATOM 964 N HIS A 68 2.481 -4.818 2.724 1.00 23.51 N ATOM 965 CA HIS A 68 2.880 -3.429 2.922 1.00 4.14 C ATOM 966 C HIS A 68 4.348 -3.228 2.558 1.00 42.22 C ATOM 967 O HIS A 68 5.227 -3.917 3.075 1.00 34.23 O ATOM 968 CB HIS A 68 2.640 -3.011 4.374 1.00 63.11 C ATOM 969 CG HIS A 68 3.384 -3.848 5.368 1.00 12.23 C ATOM 970 ND1 HIS A 68 2.860 -4.995 5.928 1.00 70.14 N ATOM 971 CD2 HIS A 68 4.619 -3.701 5.904 1.00 73.34 C ATOM 972 CE1 HIS A 68 3.740 -5.515 6.765 1.00 33.33 C ATOM 973 NE2 HIS A 68 4.817 -4.749 6.767 1.00 51.20 N ATOM 0 H HIS A 68 3.009 -5.492 3.279 1.00 23.51 H new ATOM 0 HA HIS A 68 2.273 -2.805 2.266 1.00 4.14 H new ATOM 0 HB2 HIS A 68 2.934 -1.969 4.497 1.00 63.11 H new ATOM 0 HB3 HIS A 68 1.573 -3.069 4.589 1.00 63.11 H new ATOM 0 HD2 HIS A 68 5.318 -2.906 5.691 1.00 73.34 H new ATOM 0 HE1 HIS A 68 3.603 -6.413 7.348 1.00 33.33 H new ATOM 0 HE2 HIS A 68 5.659 -4.911 7.320 1.00 51.20 H new ATOM 980 N PHE A 69 4.606 -2.278 1.665 1.00 41.52 N ATOM 981 CA PHE A 69 5.967 -1.986 1.231 1.00 75.53 C ATOM 982 C PHE A 69 6.252 -0.489 1.300 1.00 54.31 C ATOM 983 O PHE A 69 5.341 0.334 1.190 1.00 10.42 O ATOM 984 CB PHE A 69 6.188 -2.493 -0.197 1.00 45.20 C ATOM 985 CG PHE A 69 6.189 -3.991 -0.308 1.00 51.20 C ATOM 986 CD1 PHE A 69 7.097 -4.751 0.410 1.00 11.13 C ATOM 987 CD2 PHE A 69 5.280 -4.638 -1.130 1.00 64.43 C ATOM 988 CE1 PHE A 69 7.101 -6.129 0.309 1.00 15.14 C ATOM 989 CE2 PHE A 69 5.279 -6.016 -1.235 1.00 23.34 C ATOM 990 CZ PHE A 69 6.189 -6.763 -0.513 1.00 30.21 C ATOM 0 H PHE A 69 3.890 -1.697 1.228 1.00 41.52 H new ATOM 0 HA PHE A 69 6.654 -2.499 1.904 1.00 75.53 H new ATOM 0 HB2 PHE A 69 5.408 -2.089 -0.842 1.00 45.20 H new ATOM 0 HB3 PHE A 69 7.138 -2.109 -0.567 1.00 45.20 H new ATOM 0 HD1 PHE A 69 7.810 -4.261 1.056 1.00 11.13 H new ATOM 0 HD2 PHE A 69 4.564 -4.059 -1.695 1.00 64.43 H new ATOM 0 HE1 PHE A 69 7.816 -6.710 0.872 1.00 15.14 H new ATOM 0 HE2 PHE A 69 4.567 -6.508 -1.881 1.00 23.34 H new ATOM 0 HZ PHE A 69 6.188 -7.840 -0.591 1.00 30.21 H new ATOM 999 N LEU A 70 7.520 -0.142 1.485 1.00 70.13 N ATOM 1000 CA LEU A 70 7.927 1.256 1.570 1.00 53.24 C ATOM 1001 C LEU A 70 8.473 1.748 0.233 1.00 1.25 C ATOM 1002 O LEU A 70 9.412 1.169 -0.314 1.00 11.13 O ATOM 1003 CB LEU A 70 8.982 1.435 2.662 1.00 1.31 C ATOM 1004 CG LEU A 70 10.123 0.417 2.667 1.00 71.04 C ATOM 1005 CD1 LEU A 70 11.463 1.118 2.825 1.00 44.51 C ATOM 1006 CD2 LEU A 70 9.921 -0.607 3.774 1.00 50.35 C ATOM 0 H LEU A 70 8.285 -0.810 1.579 1.00 70.13 H new ATOM 0 HA LEU A 70 7.048 1.849 1.822 1.00 53.24 H new ATOM 0 HB2 LEU A 70 9.412 2.432 2.564 1.00 1.31 H new ATOM 0 HB3 LEU A 70 8.483 1.397 3.631 1.00 1.31 H new ATOM 0 HG LEU A 70 10.120 -0.107 1.711 1.00 71.04 H new ATOM 0 HD11 LEU A 70 12.263 0.378 2.826 1.00 44.51 H new ATOM 0 HD12 LEU A 70 11.611 1.811 1.997 1.00 44.51 H new ATOM 0 HD13 LEU A 70 11.477 1.669 3.765 1.00 44.51 H new ATOM 0 HD21 LEU A 70 10.743 -1.323 3.762 1.00 50.35 H new ATOM 0 HD22 LEU A 70 9.896 -0.100 4.739 1.00 50.35 H new ATOM 0 HD23 LEU A 70 8.979 -1.133 3.616 1.00 50.35 H new ATOM 1017 N ILE A 71 7.881 2.818 -0.285 1.00 14.21 N ATOM 1018 CA ILE A 71 8.311 3.388 -1.555 1.00 53.14 C ATOM 1019 C ILE A 71 9.227 4.588 -1.337 1.00 22.01 C ATOM 1020 O ILE A 71 8.952 5.447 -0.500 1.00 50.51 O ATOM 1021 CB ILE A 71 7.108 3.824 -2.412 1.00 62.21 C ATOM 1022 CG1 ILE A 71 5.997 2.774 -2.343 1.00 63.31 C ATOM 1023 CG2 ILE A 71 7.540 4.053 -3.853 1.00 54.31 C ATOM 1024 CD1 ILE A 71 4.855 3.162 -1.431 1.00 42.13 C ATOM 0 H ILE A 71 7.102 3.308 0.155 1.00 14.21 H new ATOM 0 HA ILE A 71 8.859 2.607 -2.082 1.00 53.14 H new ATOM 0 HB ILE A 71 6.720 4.762 -2.016 1.00 62.21 H new ATOM 0 HG12 ILE A 71 5.608 2.602 -3.347 1.00 63.31 H new ATOM 0 HG13 ILE A 71 6.421 1.830 -2.000 1.00 63.31 H new ATOM 0 HG21 ILE A 71 6.679 4.361 -4.446 1.00 54.31 H new ATOM 0 HG22 ILE A 71 8.300 4.833 -3.885 1.00 54.31 H new ATOM 0 HG23 ILE A 71 7.950 3.129 -4.261 1.00 54.31 H new ATOM 0 HD11 ILE A 71 4.105 2.371 -1.431 1.00 42.13 H new ATOM 0 HD12 ILE A 71 5.231 3.305 -0.418 1.00 42.13 H new ATOM 0 HD13 ILE A 71 4.405 4.089 -1.786 1.00 42.13 H new ATOM 1035 N GLU A 72 10.316 4.640 -2.097 1.00 53.13 N ATOM 1036 CA GLU A 72 11.272 5.735 -1.987 1.00 62.04 C ATOM 1037 C GLU A 72 11.295 6.568 -3.266 1.00 41.11 C ATOM 1038 O GLU A 72 11.264 6.029 -4.373 1.00 62.45 O ATOM 1039 CB GLU A 72 12.672 5.193 -1.694 1.00 51.31 C ATOM 1040 CG GLU A 72 13.133 5.437 -0.267 1.00 72.03 C ATOM 1041 CD GLU A 72 14.534 6.014 -0.197 1.00 51.44 C ATOM 1042 OE1 GLU A 72 14.749 7.115 -0.747 1.00 44.01 O ATOM 1043 OE2 GLU A 72 15.414 5.366 0.407 1.00 72.45 O ATOM 0 H GLU A 72 10.558 3.937 -2.795 1.00 53.13 H new ATOM 0 HA GLU A 72 10.958 6.375 -1.162 1.00 62.04 H new ATOM 0 HB2 GLU A 72 12.687 4.121 -1.893 1.00 51.31 H new ATOM 0 HB3 GLU A 72 13.382 5.655 -2.380 1.00 51.31 H new ATOM 0 HG2 GLU A 72 12.438 6.119 0.224 1.00 72.03 H new ATOM 0 HG3 GLU A 72 13.103 4.498 0.286 1.00 72.03 H new ATOM 1048 N THR A 73 11.348 7.887 -3.106 1.00 21.33 N ATOM 1049 CA THR A 73 11.374 8.795 -4.246 1.00 61.13 C ATOM 1050 C THR A 73 12.674 9.589 -4.287 1.00 65.11 C ATOM 1051 O THR A 73 13.019 10.285 -3.333 1.00 12.22 O ATOM 1052 CB THR A 73 10.187 9.776 -4.209 1.00 22.30 C ATOM 1053 OG1 THR A 73 10.285 10.705 -5.294 1.00 21.33 O ATOM 1054 CG2 THR A 73 10.151 10.532 -2.889 1.00 61.33 C ATOM 0 H THR A 73 11.374 8.350 -2.198 1.00 21.33 H new ATOM 0 HA THR A 73 11.300 8.179 -5.142 1.00 61.13 H new ATOM 0 HB THR A 73 9.266 9.201 -4.306 1.00 22.30 H new ATOM 0 HG1 THR A 73 9.526 11.324 -5.264 1.00 21.33 H new ATOM 0 HG21 THR A 73 9.305 11.219 -2.886 1.00 61.33 H new ATOM 0 HG22 THR A 73 10.047 9.824 -2.067 1.00 61.33 H new ATOM 0 HG23 THR A 73 11.076 11.096 -2.767 1.00 61.33 H new ATOM 1062 N GLY A 74 13.393 9.482 -5.400 1.00 20.41 N ATOM 1063 CA GLY A 74 14.648 10.197 -5.545 1.00 31.23 C ATOM 1064 C GLY A 74 14.740 10.943 -6.861 1.00 64.51 C ATOM 1065 O GLY A 74 13.755 11.098 -7.583 1.00 23.35 O ATOM 0 H GLY A 74 13.129 8.913 -6.204 1.00 20.41 H new ATOM 0 HA2 GLY A 74 14.758 10.903 -4.722 1.00 31.23 H new ATOM 0 HA3 GLY A 74 15.475 9.491 -5.472 1.00 31.23 H new ATOM 1069 N PRO A 75 15.950 11.423 -7.189 1.00 54.52 N ATOM 1070 CA PRO A 75 16.196 12.168 -8.428 1.00 21.34 C ATOM 1071 C PRO A 75 16.105 11.281 -9.664 1.00 70.22 C ATOM 1072 O PRO A 75 16.153 11.766 -10.795 1.00 42.23 O ATOM 1073 CB PRO A 75 17.624 12.691 -8.249 1.00 31.11 C ATOM 1074 CG PRO A 75 18.262 11.735 -7.302 1.00 22.05 C ATOM 1075 CD PRO A 75 17.169 11.277 -6.376 1.00 15.13 C ATOM 0 HA PRO A 75 15.456 12.953 -8.586 1.00 21.34 H new ATOM 0 HB2 PRO A 75 18.156 12.721 -9.200 1.00 31.11 H new ATOM 0 HB3 PRO A 75 17.627 13.705 -7.850 1.00 31.11 H new ATOM 0 HG2 PRO A 75 18.700 10.892 -7.835 1.00 22.05 H new ATOM 0 HG3 PRO A 75 19.068 12.215 -6.747 1.00 22.05 H new ATOM 0 HD2 PRO A 75 17.318 10.245 -6.057 1.00 15.13 H new ATOM 0 HD3 PRO A 75 17.125 11.886 -5.473 1.00 15.13 H new ATOM 1080 N LYS A 76 15.973 9.977 -9.443 1.00 73.34 N ATOM 1081 CA LYS A 76 15.872 9.021 -10.540 1.00 64.22 C ATOM 1082 C LYS A 76 14.457 8.463 -10.647 1.00 34.44 C ATOM 1083 O LYS A 76 14.179 7.606 -11.486 1.00 65.35 O ATOM 1084 CB LYS A 76 16.870 7.878 -10.340 1.00 22.13 C ATOM 1085 CG LYS A 76 18.273 8.203 -10.824 1.00 73.34 C ATOM 1086 CD LYS A 76 18.490 7.738 -12.255 1.00 62.21 C ATOM 1087 CE LYS A 76 18.714 8.914 -13.194 1.00 15.15 C ATOM 1088 NZ LYS A 76 18.372 8.570 -14.602 1.00 44.05 N ATOM 0 H LYS A 76 15.933 9.558 -8.514 1.00 73.34 H new ATOM 0 HA LYS A 76 16.108 9.543 -11.467 1.00 64.22 H new ATOM 0 HB2 LYS A 76 16.910 7.623 -9.281 1.00 22.13 H new ATOM 0 HB3 LYS A 76 16.508 6.995 -10.867 1.00 22.13 H new ATOM 0 HG2 LYS A 76 18.441 9.278 -10.760 1.00 73.34 H new ATOM 0 HG3 LYS A 76 19.004 7.727 -10.171 1.00 73.34 H new ATOM 0 HD2 LYS A 76 19.350 7.070 -12.295 1.00 62.21 H new ATOM 0 HD3 LYS A 76 17.625 7.165 -12.588 1.00 62.21 H new ATOM 0 HE2 LYS A 76 18.108 9.759 -12.869 1.00 15.15 H new ATOM 0 HE3 LYS A 76 19.756 9.229 -13.140 1.00 15.15 H new ATOM 0 HZ1 LYS A 76 18.538 9.396 -15.211 1.00 44.05 H new ATOM 0 HZ2 LYS A 76 18.968 7.780 -14.921 1.00 44.05 H new ATOM 0 HZ3 LYS A 76 17.371 8.293 -14.658 1.00 44.05 H new ATOM 1098 N GLY A 77 13.566 8.953 -9.792 1.00 40.35 N ATOM 1099 CA GLY A 77 12.190 8.492 -9.809 1.00 22.10 C ATOM 1100 C GLY A 77 11.789 7.818 -8.513 1.00 11.43 C ATOM 1101 O GLY A 77 12.606 7.665 -7.605 1.00 2.20 O ATOM 0 H GLY A 77 13.772 9.661 -9.087 1.00 40.35 H new ATOM 0 HA2 GLY A 77 11.529 9.338 -9.995 1.00 22.10 H new ATOM 0 HA3 GLY A 77 12.054 7.794 -10.635 1.00 22.10 H new ATOM 1105 N VAL A 78 10.525 7.413 -8.423 1.00 22.01 N ATOM 1106 CA VAL A 78 10.017 6.752 -7.227 1.00 73.52 C ATOM 1107 C VAL A 78 9.701 5.286 -7.503 1.00 53.52 C ATOM 1108 O VAL A 78 8.998 4.959 -8.460 1.00 63.24 O ATOM 1109 CB VAL A 78 8.750 7.448 -6.696 1.00 60.14 C ATOM 1110 CG1 VAL A 78 7.692 7.537 -7.786 1.00 71.53 C ATOM 1111 CG2 VAL A 78 8.210 6.716 -5.478 1.00 33.44 C ATOM 0 H VAL A 78 9.835 7.531 -9.165 1.00 22.01 H new ATOM 0 HA VAL A 78 10.801 6.816 -6.472 1.00 73.52 H new ATOM 0 HB VAL A 78 9.014 8.462 -6.395 1.00 60.14 H new ATOM 0 HG11 VAL A 78 6.804 8.032 -7.392 1.00 71.53 H new ATOM 0 HG12 VAL A 78 8.083 8.110 -8.627 1.00 71.53 H new ATOM 0 HG13 VAL A 78 7.429 6.534 -8.121 1.00 71.53 H new ATOM 0 HG21 VAL A 78 7.315 7.222 -5.117 1.00 33.44 H new ATOM 0 HG22 VAL A 78 7.962 5.690 -5.750 1.00 33.44 H new ATOM 0 HG23 VAL A 78 8.966 6.710 -4.692 1.00 33.44 H new ATOM 1121 N LYS A 79 10.224 4.405 -6.657 1.00 1.50 N ATOM 1122 CA LYS A 79 9.997 2.972 -6.806 1.00 72.25 C ATOM 1123 C LYS A 79 9.732 2.319 -5.454 1.00 4.44 C ATOM 1124 O LYS A 79 10.117 2.852 -4.412 1.00 15.13 O ATOM 1125 CB LYS A 79 11.203 2.311 -7.477 1.00 44.11 C ATOM 1126 CG LYS A 79 12.422 2.215 -6.577 1.00 41.24 C ATOM 1127 CD LYS A 79 12.778 0.771 -6.271 1.00 34.13 C ATOM 1128 CE LYS A 79 13.133 0.582 -4.805 1.00 25.32 C ATOM 1129 NZ LYS A 79 14.226 1.500 -4.376 1.00 75.54 N ATOM 0 H LYS A 79 10.808 4.658 -5.860 1.00 1.50 H new ATOM 0 HA LYS A 79 9.118 2.832 -7.435 1.00 72.25 H new ATOM 0 HB2 LYS A 79 10.923 1.309 -7.803 1.00 44.11 H new ATOM 0 HB3 LYS A 79 11.466 2.876 -8.371 1.00 44.11 H new ATOM 0 HG2 LYS A 79 13.269 2.705 -7.057 1.00 41.24 H new ATOM 0 HG3 LYS A 79 12.231 2.748 -5.646 1.00 41.24 H new ATOM 0 HD2 LYS A 79 11.938 0.126 -6.529 1.00 34.13 H new ATOM 0 HD3 LYS A 79 13.619 0.463 -6.892 1.00 34.13 H new ATOM 0 HE2 LYS A 79 12.249 0.758 -4.192 1.00 25.32 H new ATOM 0 HE3 LYS A 79 13.438 -0.451 -4.635 1.00 25.32 H new ATOM 0 HZ1 LYS A 79 14.647 1.150 -3.492 1.00 75.54 H new ATOM 0 HZ2 LYS A 79 14.957 1.539 -5.115 1.00 75.54 H new ATOM 0 HZ3 LYS A 79 13.839 2.453 -4.221 1.00 75.54 H new ATOM 1139 N ILE A 80 9.077 1.164 -5.477 1.00 54.22 N ATOM 1140 CA ILE A 80 8.764 0.438 -4.252 1.00 35.21 C ATOM 1141 C ILE A 80 9.912 -0.481 -3.851 1.00 2.25 C ATOM 1142 O ILE A 80 10.290 -1.385 -4.596 1.00 12.12 O ATOM 1143 CB ILE A 80 7.481 -0.399 -4.406 1.00 15.03 C ATOM 1144 CG1 ILE A 80 6.355 0.456 -4.990 1.00 15.24 C ATOM 1145 CG2 ILE A 80 7.068 -0.987 -3.065 1.00 1.11 C ATOM 1146 CD1 ILE A 80 6.276 0.405 -6.499 1.00 33.14 C ATOM 0 H ILE A 80 8.752 0.710 -6.331 1.00 54.22 H new ATOM 0 HA ILE A 80 8.609 1.184 -3.473 1.00 35.21 H new ATOM 0 HB ILE A 80 7.681 -1.220 -5.094 1.00 15.03 H new ATOM 0 HG12 ILE A 80 5.404 0.123 -4.573 1.00 15.24 H new ATOM 0 HG13 ILE A 80 6.496 1.490 -4.677 1.00 15.24 H new ATOM 0 HG21 ILE A 80 6.159 -1.576 -3.190 1.00 1.11 H new ATOM 0 HG22 ILE A 80 7.866 -1.626 -2.687 1.00 1.11 H new ATOM 0 HG23 ILE A 80 6.883 -0.180 -2.356 1.00 1.11 H new ATOM 0 HD11 ILE A 80 5.455 1.035 -6.842 1.00 33.14 H new ATOM 0 HD12 ILE A 80 7.212 0.766 -6.925 1.00 33.14 H new ATOM 0 HD13 ILE A 80 6.104 -0.622 -6.820 1.00 33.14 H new ATOM 1157 N LYS A 81 10.464 -0.244 -2.665 1.00 30.42 N ATOM 1158 CA LYS A 81 11.568 -1.052 -2.159 1.00 24.50 C ATOM 1159 C LYS A 81 11.073 -2.414 -1.685 1.00 62.21 C ATOM 1160 O LYS A 81 10.644 -2.566 -0.541 1.00 62.13 O ATOM 1161 CB LYS A 81 12.275 -0.326 -1.012 1.00 32.45 C ATOM 1162 CG LYS A 81 13.739 -0.700 -0.867 1.00 4.12 C ATOM 1163 CD LYS A 81 13.912 -1.974 -0.057 1.00 2.32 C ATOM 1164 CE LYS A 81 14.509 -1.688 1.313 1.00 50.34 C ATOM 1165 NZ LYS A 81 14.532 -2.902 2.173 1.00 1.42 N ATOM 0 H LYS A 81 10.165 0.501 -2.036 1.00 30.42 H new ATOM 0 HA LYS A 81 12.276 -1.206 -2.974 1.00 24.50 H new ATOM 0 HB2 LYS A 81 12.197 0.750 -1.171 1.00 32.45 H new ATOM 0 HB3 LYS A 81 11.758 -0.548 -0.079 1.00 32.45 H new ATOM 0 HG2 LYS A 81 14.181 -0.833 -1.854 1.00 4.12 H new ATOM 0 HG3 LYS A 81 14.278 0.115 -0.384 1.00 4.12 H new ATOM 0 HD2 LYS A 81 12.946 -2.465 0.061 1.00 2.32 H new ATOM 0 HD3 LYS A 81 14.557 -2.666 -0.599 1.00 2.32 H new ATOM 0 HE2 LYS A 81 15.524 -1.308 1.195 1.00 50.34 H new ATOM 0 HE3 LYS A 81 13.931 -0.906 1.805 1.00 50.34 H new ATOM 0 HZ1 LYS A 81 14.946 -2.665 3.097 1.00 1.42 H new ATOM 0 HZ2 LYS A 81 13.561 -3.251 2.307 1.00 1.42 H new ATOM 0 HZ3 LYS A 81 15.105 -3.640 1.716 1.00 1.42 H new ATOM 1175 N GLY A 82 11.136 -3.404 -2.571 1.00 24.14 N ATOM 1176 CA GLY A 82 10.693 -4.741 -2.221 1.00 74.51 C ATOM 1177 C GLY A 82 11.125 -5.779 -3.239 1.00 55.41 C ATOM 1178 O GLY A 82 11.457 -6.909 -2.880 1.00 74.11 O ATOM 0 H GLY A 82 11.486 -3.304 -3.524 1.00 24.14 H new ATOM 0 HA2 GLY A 82 11.092 -5.008 -1.242 1.00 74.51 H new ATOM 0 HA3 GLY A 82 9.606 -4.750 -2.136 1.00 74.51 H new ATOM 1182 N CYS A 83 11.118 -5.396 -4.511 1.00 24.23 N ATOM 1183 CA CYS A 83 11.510 -6.303 -5.585 1.00 1.44 C ATOM 1184 C CYS A 83 12.642 -5.706 -6.414 1.00 72.54 C ATOM 1185 O CYS A 83 12.883 -4.499 -6.403 1.00 52.04 O ATOM 1186 CB CYS A 83 10.311 -6.612 -6.482 1.00 31.45 C ATOM 1187 SG CYS A 83 9.361 -8.063 -5.969 1.00 53.30 S ATOM 0 H CYS A 83 10.845 -4.464 -4.824 1.00 24.23 H new ATOM 0 HA CYS A 83 11.865 -7.230 -5.134 1.00 1.44 H new ATOM 0 HB2 CYS A 83 9.650 -5.745 -6.499 1.00 31.45 H new ATOM 0 HB3 CYS A 83 10.663 -6.764 -7.502 1.00 31.45 H new ATOM 0 HG CYS A 83 8.367 -8.242 -6.787 1.00 53.30 H new ATOM 1192 N PRO A 84 13.355 -6.570 -7.151 1.00 34.42 N ATOM 1193 CA PRO A 84 14.474 -6.152 -8.001 1.00 31.04 C ATOM 1194 C PRO A 84 14.013 -5.348 -9.212 1.00 4.04 C ATOM 1195 O PRO A 84 14.828 -4.764 -9.926 1.00 71.23 O ATOM 1196 CB PRO A 84 15.098 -7.477 -8.445 1.00 12.25 C ATOM 1197 CG PRO A 84 13.986 -8.466 -8.363 1.00 43.43 C ATOM 1198 CD PRO A 84 13.123 -8.024 -7.213 1.00 64.40 C ATOM 0 HA PRO A 84 15.165 -5.497 -7.471 1.00 31.04 H new ATOM 0 HB2 PRO A 84 15.493 -7.409 -9.459 1.00 12.25 H new ATOM 0 HB3 PRO A 84 15.928 -7.760 -7.798 1.00 12.25 H new ATOM 0 HG2 PRO A 84 13.416 -8.490 -9.292 1.00 43.43 H new ATOM 0 HG3 PRO A 84 14.370 -9.473 -8.198 1.00 43.43 H new ATOM 0 HD2 PRO A 84 12.072 -8.256 -7.387 1.00 64.40 H new ATOM 0 HD3 PRO A 84 13.409 -8.517 -6.284 1.00 64.40 H new ATOM 1203 N SER A 85 12.704 -5.322 -9.436 1.00 35.52 N ATOM 1204 CA SER A 85 12.135 -4.593 -10.563 1.00 43.02 C ATOM 1205 C SER A 85 12.636 -3.151 -10.585 1.00 34.43 C ATOM 1206 O SER A 85 13.440 -2.776 -11.437 1.00 1.35 O ATOM 1207 CB SER A 85 10.607 -4.613 -10.492 1.00 73.41 C ATOM 1208 OG SER A 85 10.058 -5.371 -11.557 1.00 71.25 O ATOM 0 H SER A 85 12.017 -5.798 -8.852 1.00 35.52 H new ATOM 0 HA SER A 85 12.455 -5.085 -11.481 1.00 43.02 H new ATOM 0 HB2 SER A 85 10.289 -5.036 -9.539 1.00 73.41 H new ATOM 0 HB3 SER A 85 10.224 -3.593 -10.532 1.00 73.41 H new ATOM 0 HG SER A 85 9.674 -6.201 -11.204 1.00 71.25 H new ATOM 1213 N GLU A 86 12.152 -2.350 -9.641 1.00 24.22 N ATOM 1214 CA GLU A 86 12.550 -0.949 -9.552 1.00 32.21 C ATOM 1215 C GLU A 86 12.371 -0.248 -10.895 1.00 65.13 C ATOM 1216 O GLU A 86 13.337 0.141 -11.554 1.00 52.21 O ATOM 1217 CB GLU A 86 14.005 -0.837 -9.094 1.00 30.52 C ATOM 1218 CG GLU A 86 14.357 -1.771 -7.948 1.00 61.33 C ATOM 1219 CD GLU A 86 15.749 -1.524 -7.400 1.00 74.51 C ATOM 1220 OE1 GLU A 86 16.067 -0.357 -7.090 1.00 34.02 O ATOM 1221 OE2 GLU A 86 16.521 -2.498 -7.282 1.00 31.35 O ATOM 0 H GLU A 86 11.485 -2.646 -8.928 1.00 24.22 H new ATOM 0 HA GLU A 86 11.909 -0.461 -8.818 1.00 32.21 H new ATOM 0 HB2 GLU A 86 14.660 -1.049 -9.939 1.00 30.52 H new ATOM 0 HB3 GLU A 86 14.202 0.190 -8.788 1.00 30.52 H new ATOM 0 HG2 GLU A 86 13.628 -1.648 -7.147 1.00 61.33 H new ATOM 0 HG3 GLU A 86 14.283 -2.803 -8.290 1.00 61.33 H new ATOM 1226 N PRO A 87 11.108 -0.080 -11.312 1.00 51.53 N ATOM 1227 CA PRO A 87 10.773 0.576 -12.579 1.00 42.32 C ATOM 1228 C PRO A 87 11.066 2.072 -12.553 1.00 53.15 C ATOM 1229 O PRO A 87 11.348 2.678 -13.587 1.00 30.12 O ATOM 1230 CB PRO A 87 9.268 0.328 -12.720 1.00 43.12 C ATOM 1231 CG PRO A 87 8.783 0.143 -11.323 1.00 71.34 C ATOM 1232 CD PRO A 87 9.909 -0.518 -10.578 1.00 42.23 C ATOM 0 HA PRO A 87 11.363 0.186 -13.408 1.00 42.32 H new ATOM 0 HB2 PRO A 87 8.772 1.169 -13.203 1.00 43.12 H new ATOM 0 HB3 PRO A 87 9.067 -0.553 -13.329 1.00 43.12 H new ATOM 0 HG2 PRO A 87 8.524 1.100 -10.870 1.00 71.34 H new ATOM 0 HG3 PRO A 87 7.885 -0.474 -11.300 1.00 71.34 H new ATOM 0 HD2 PRO A 87 9.940 -0.204 -9.535 1.00 42.23 H new ATOM 0 HD3 PRO A 87 9.810 -1.604 -10.581 1.00 42.23 H new ATOM 1237 N TYR A 88 10.996 2.663 -11.365 1.00 32.52 N ATOM 1238 CA TYR A 88 11.253 4.089 -11.205 1.00 41.33 C ATOM 1239 C TYR A 88 10.233 4.917 -11.982 1.00 74.02 C ATOM 1240 O TYR A 88 10.483 5.329 -13.114 1.00 62.31 O ATOM 1241 CB TYR A 88 12.667 4.431 -11.676 1.00 33.40 C ATOM 1242 CG TYR A 88 13.736 3.548 -11.073 1.00 13.14 C ATOM 1243 CD1 TYR A 88 13.901 3.465 -9.696 1.00 50.31 C ATOM 1244 CD2 TYR A 88 14.582 2.796 -11.880 1.00 54.54 C ATOM 1245 CE1 TYR A 88 14.876 2.660 -9.139 1.00 75.12 C ATOM 1246 CE2 TYR A 88 15.558 1.987 -11.333 1.00 62.13 C ATOM 1247 CZ TYR A 88 15.702 1.923 -9.962 1.00 70.31 C ATOM 1248 OH TYR A 88 16.675 1.119 -9.414 1.00 14.13 O ATOM 0 H TYR A 88 10.763 2.176 -10.499 1.00 32.52 H new ATOM 0 HA TYR A 88 11.161 4.331 -10.146 1.00 41.33 H new ATOM 0 HB2 TYR A 88 12.709 4.348 -12.762 1.00 33.40 H new ATOM 0 HB3 TYR A 88 12.883 5.470 -11.427 1.00 33.40 H new ATOM 0 HD1 TYR A 88 13.255 4.040 -9.049 1.00 50.31 H new ATOM 0 HD2 TYR A 88 14.474 2.845 -12.953 1.00 54.54 H new ATOM 0 HE1 TYR A 88 14.991 2.608 -8.066 1.00 75.12 H new ATOM 0 HE2 TYR A 88 16.205 1.407 -11.975 1.00 62.13 H new ATOM 0 HH TYR A 88 16.320 0.674 -8.616 1.00 14.13 H new ATOM 1257 N PHE A 89 9.081 5.155 -11.363 1.00 73.45 N ATOM 1258 CA PHE A 89 8.021 5.933 -11.995 1.00 53.22 C ATOM 1259 C PHE A 89 8.174 7.418 -11.681 1.00 21.54 C ATOM 1260 O PHE A 89 9.151 7.834 -11.059 1.00 0.40 O ATOM 1261 CB PHE A 89 6.649 5.440 -11.528 1.00 64.41 C ATOM 1262 CG PHE A 89 6.342 4.032 -11.952 1.00 62.12 C ATOM 1263 CD1 PHE A 89 6.117 3.729 -13.286 1.00 64.42 C ATOM 1264 CD2 PHE A 89 6.280 3.011 -11.017 1.00 54.03 C ATOM 1265 CE1 PHE A 89 5.834 2.435 -13.678 1.00 41.14 C ATOM 1266 CE2 PHE A 89 5.996 1.714 -11.404 1.00 61.24 C ATOM 1267 CZ PHE A 89 5.775 1.426 -12.736 1.00 73.13 C ATOM 0 H PHE A 89 8.858 4.821 -10.426 1.00 73.45 H new ATOM 0 HA PHE A 89 8.100 5.798 -13.074 1.00 53.22 H new ATOM 0 HB2 PHE A 89 6.600 5.502 -10.441 1.00 64.41 H new ATOM 0 HB3 PHE A 89 5.880 6.105 -11.921 1.00 64.41 H new ATOM 0 HD1 PHE A 89 6.163 4.513 -14.027 1.00 64.42 H new ATOM 0 HD2 PHE A 89 6.455 3.231 -9.974 1.00 54.03 H new ATOM 0 HE1 PHE A 89 5.659 2.212 -14.720 1.00 41.14 H new ATOM 0 HE2 PHE A 89 5.947 0.928 -10.665 1.00 61.24 H new ATOM 0 HZ PHE A 89 5.556 0.413 -13.041 1.00 73.13 H new ATOM 1276 N GLY A 90 7.201 8.213 -12.116 1.00 22.32 N ATOM 1277 CA GLY A 90 7.247 9.642 -11.872 1.00 61.24 C ATOM 1278 C GLY A 90 7.035 9.989 -10.412 1.00 43.30 C ATOM 1279 O GLY A 90 7.961 10.427 -9.729 1.00 70.03 O ATOM 0 H GLY A 90 6.382 7.892 -12.633 1.00 22.32 H new ATOM 0 HA2 GLY A 90 8.211 10.032 -12.198 1.00 61.24 H new ATOM 0 HA3 GLY A 90 6.483 10.135 -12.474 1.00 61.24 H new ATOM 1283 N SER A 91 5.812 9.794 -9.930 1.00 14.05 N ATOM 1284 CA SER A 91 5.480 10.094 -8.542 1.00 53.00 C ATOM 1285 C SER A 91 4.584 9.008 -7.950 1.00 70.55 C ATOM 1286 O SER A 91 4.236 8.039 -8.626 1.00 53.45 O ATOM 1287 CB SER A 91 4.784 11.452 -8.444 1.00 43.24 C ATOM 1288 OG SER A 91 5.547 12.361 -7.668 1.00 14.54 O ATOM 0 H SER A 91 5.034 9.429 -10.480 1.00 14.05 H new ATOM 0 HA SER A 91 6.408 10.127 -7.972 1.00 53.00 H new ATOM 0 HB2 SER A 91 4.633 11.860 -9.443 1.00 43.24 H new ATOM 0 HB3 SER A 91 3.797 11.327 -7.998 1.00 43.24 H new ATOM 0 HG SER A 91 5.082 13.222 -7.622 1.00 14.54 H new ATOM 1293 N LEU A 92 4.216 9.178 -6.686 1.00 72.22 N ATOM 1294 CA LEU A 92 3.361 8.214 -6.002 1.00 22.13 C ATOM 1295 C LEU A 92 2.100 7.932 -6.813 1.00 24.43 C ATOM 1296 O LEU A 92 1.605 6.806 -6.837 1.00 21.33 O ATOM 1297 CB LEU A 92 2.984 8.734 -4.614 1.00 0.42 C ATOM 1298 CG LEU A 92 3.979 8.437 -3.492 1.00 41.44 C ATOM 1299 CD1 LEU A 92 4.669 9.715 -3.038 1.00 13.54 C ATOM 1300 CD2 LEU A 92 3.279 7.763 -2.321 1.00 13.32 C ATOM 0 H LEU A 92 4.496 9.974 -6.113 1.00 72.22 H new ATOM 0 HA LEU A 92 3.917 7.282 -5.896 1.00 22.13 H new ATOM 0 HB2 LEU A 92 2.850 9.814 -4.677 1.00 0.42 H new ATOM 0 HB3 LEU A 92 2.019 8.308 -4.339 1.00 0.42 H new ATOM 0 HG LEU A 92 4.737 7.755 -3.877 1.00 41.44 H new ATOM 0 HD11 LEU A 92 5.374 9.484 -2.239 1.00 13.54 H new ATOM 0 HD12 LEU A 92 5.205 10.157 -3.878 1.00 13.54 H new ATOM 0 HD13 LEU A 92 3.923 10.421 -2.671 1.00 13.54 H new ATOM 0 HD21 LEU A 92 4.003 7.559 -1.532 1.00 13.32 H new ATOM 0 HD22 LEU A 92 2.499 8.420 -1.936 1.00 13.32 H new ATOM 0 HD23 LEU A 92 2.833 6.826 -2.654 1.00 13.32 H new ATOM 1311 N SER A 93 1.588 8.963 -7.477 1.00 23.34 N ATOM 1312 CA SER A 93 0.384 8.827 -8.288 1.00 22.20 C ATOM 1313 C SER A 93 0.660 7.991 -9.534 1.00 35.43 C ATOM 1314 O SER A 93 -0.198 7.238 -9.993 1.00 41.52 O ATOM 1315 CB SER A 93 -0.143 10.205 -8.692 1.00 3.24 C ATOM 1316 OG SER A 93 0.295 10.558 -9.992 1.00 71.31 O ATOM 0 H SER A 93 1.988 9.901 -7.469 1.00 23.34 H new ATOM 0 HA SER A 93 -0.371 8.318 -7.689 1.00 22.20 H new ATOM 0 HB2 SER A 93 -1.233 10.205 -8.660 1.00 3.24 H new ATOM 0 HB3 SER A 93 0.197 10.952 -7.975 1.00 3.24 H new ATOM 0 HG SER A 93 -0.057 11.442 -10.227 1.00 71.31 H new ATOM 1321 N ALA A 94 1.866 8.128 -10.077 1.00 0.21 N ATOM 1322 CA ALA A 94 2.257 7.384 -11.268 1.00 45.35 C ATOM 1323 C ALA A 94 2.356 5.892 -10.975 1.00 74.25 C ATOM 1324 O ALA A 94 1.863 5.065 -11.744 1.00 0.33 O ATOM 1325 CB ALA A 94 3.581 7.908 -11.804 1.00 64.31 C ATOM 0 H ALA A 94 2.589 8.747 -9.711 1.00 0.21 H new ATOM 0 HA ALA A 94 1.487 7.528 -12.026 1.00 45.35 H new ATOM 0 HB1 ALA A 94 3.862 7.344 -12.693 1.00 64.31 H new ATOM 0 HB2 ALA A 94 3.478 8.962 -12.060 1.00 64.31 H new ATOM 0 HB3 ALA A 94 4.353 7.793 -11.043 1.00 64.31 H new ATOM 1331 N LEU A 95 2.994 5.553 -9.861 1.00 15.04 N ATOM 1332 CA LEU A 95 3.157 4.157 -9.467 1.00 61.43 C ATOM 1333 C LEU A 95 1.836 3.569 -8.984 1.00 53.31 C ATOM 1334 O LEU A 95 1.584 2.374 -9.134 1.00 54.15 O ATOM 1335 CB LEU A 95 4.214 4.038 -8.367 1.00 54.01 C ATOM 1336 CG LEU A 95 4.005 4.922 -7.137 1.00 31.30 C ATOM 1337 CD1 LEU A 95 3.061 4.251 -6.152 1.00 63.05 C ATOM 1338 CD2 LEU A 95 5.339 5.234 -6.474 1.00 43.55 C ATOM 0 H LEU A 95 3.407 6.225 -9.214 1.00 15.04 H new ATOM 0 HA LEU A 95 3.485 3.594 -10.341 1.00 61.43 H new ATOM 0 HB2 LEU A 95 4.254 2.999 -8.040 1.00 54.01 H new ATOM 0 HB3 LEU A 95 5.187 4.274 -8.798 1.00 54.01 H new ATOM 0 HG LEU A 95 3.553 5.860 -7.458 1.00 31.30 H new ATOM 0 HD11 LEU A 95 2.924 4.895 -5.283 1.00 63.05 H new ATOM 0 HD12 LEU A 95 2.097 4.079 -6.631 1.00 63.05 H new ATOM 0 HD13 LEU A 95 3.484 3.298 -5.834 1.00 63.05 H new ATOM 0 HD21 LEU A 95 5.173 5.864 -5.600 1.00 43.55 H new ATOM 0 HD22 LEU A 95 5.818 4.305 -6.165 1.00 43.55 H new ATOM 0 HD23 LEU A 95 5.983 5.757 -7.181 1.00 43.55 H new ATOM 1349 N VAL A 96 0.992 4.418 -8.405 1.00 64.44 N ATOM 1350 CA VAL A 96 -0.306 3.985 -7.903 1.00 25.35 C ATOM 1351 C VAL A 96 -1.251 3.640 -9.049 1.00 11.23 C ATOM 1352 O VAL A 96 -1.973 2.645 -8.994 1.00 40.52 O ATOM 1353 CB VAL A 96 -0.957 5.067 -7.022 1.00 34.35 C ATOM 1354 CG1 VAL A 96 -2.471 4.915 -7.022 1.00 4.45 C ATOM 1355 CG2 VAL A 96 -0.407 5.003 -5.606 1.00 64.50 C ATOM 0 H VAL A 96 1.185 5.411 -8.272 1.00 64.44 H new ATOM 0 HA VAL A 96 -0.131 3.094 -7.300 1.00 25.35 H new ATOM 0 HB VAL A 96 -0.713 6.045 -7.438 1.00 34.35 H new ATOM 0 HG11 VAL A 96 -2.914 5.688 -6.394 1.00 4.45 H new ATOM 0 HG12 VAL A 96 -2.847 5.015 -8.040 1.00 4.45 H new ATOM 0 HG13 VAL A 96 -2.738 3.933 -6.631 1.00 4.45 H new ATOM 0 HG21 VAL A 96 -0.878 5.775 -4.997 1.00 64.50 H new ATOM 0 HG22 VAL A 96 -0.619 4.023 -5.177 1.00 64.50 H new ATOM 0 HG23 VAL A 96 0.671 5.165 -5.627 1.00 64.50 H new ATOM 1365 N SER A 97 -1.240 4.470 -10.087 1.00 70.02 N ATOM 1366 CA SER A 97 -2.100 4.256 -11.246 1.00 22.11 C ATOM 1367 C SER A 97 -1.608 3.073 -12.074 1.00 73.13 C ATOM 1368 O SER A 97 -2.405 2.286 -12.584 1.00 23.32 O ATOM 1369 CB SER A 97 -2.147 5.516 -12.112 1.00 22.23 C ATOM 1370 OG SER A 97 -1.267 5.408 -13.218 1.00 4.33 O ATOM 0 H SER A 97 -0.646 5.297 -10.150 1.00 70.02 H new ATOM 0 HA SER A 97 -3.105 4.034 -10.887 1.00 22.11 H new ATOM 0 HB2 SER A 97 -3.164 5.679 -12.467 1.00 22.23 H new ATOM 0 HB3 SER A 97 -1.876 6.384 -11.511 1.00 22.23 H new ATOM 0 HG SER A 97 -1.317 6.225 -13.757 1.00 4.33 H new ATOM 1375 N GLN A 98 -0.290 2.957 -12.204 1.00 74.23 N ATOM 1376 CA GLN A 98 0.308 1.871 -12.972 1.00 70.55 C ATOM 1377 C GLN A 98 0.107 0.533 -12.270 1.00 34.13 C ATOM 1378 O GLN A 98 0.024 -0.513 -12.916 1.00 51.31 O ATOM 1379 CB GLN A 98 1.801 2.130 -13.184 1.00 52.25 C ATOM 1380 CG GLN A 98 2.092 3.163 -14.260 1.00 74.35 C ATOM 1381 CD GLN A 98 2.105 2.566 -15.655 1.00 42.21 C ATOM 1382 OE1 GLN A 98 2.709 1.518 -15.887 1.00 74.34 O ATOM 1383 NE2 GLN A 98 1.438 3.231 -16.590 1.00 54.25 N ATOM 0 H GLN A 98 0.383 3.601 -11.788 1.00 74.23 H new ATOM 0 HA GLN A 98 -0.188 1.830 -13.942 1.00 70.55 H new ATOM 0 HB2 GLN A 98 2.241 2.463 -12.244 1.00 52.25 H new ATOM 0 HB3 GLN A 98 2.290 1.193 -13.450 1.00 52.25 H new ATOM 0 HG2 GLN A 98 1.341 3.952 -14.214 1.00 74.35 H new ATOM 0 HG3 GLN A 98 3.057 3.629 -14.059 1.00 74.35 H new ATOM 0 HE21 GLN A 98 0.952 4.096 -16.352 1.00 54.25 H new ATOM 0 HE22 GLN A 98 1.411 2.877 -17.546 1.00 54.25 H new ATOM 1390 N HIS A 99 0.029 0.572 -10.944 1.00 32.44 N ATOM 1391 CA HIS A 99 -0.162 -0.640 -10.153 1.00 54.45 C ATOM 1392 C HIS A 99 -1.562 -1.209 -10.362 1.00 71.21 C ATOM 1393 O HIS A 99 -1.858 -2.326 -9.938 1.00 70.04 O ATOM 1394 CB HIS A 99 0.065 -0.346 -8.670 1.00 12.31 C ATOM 1395 CG HIS A 99 1.385 -0.834 -8.158 1.00 70.42 C ATOM 1396 ND1 HIS A 99 1.727 -2.169 -8.110 1.00 62.41 N ATOM 1397 CD2 HIS A 99 2.452 -0.156 -7.673 1.00 20.11 C ATOM 1398 CE1 HIS A 99 2.947 -2.292 -7.616 1.00 12.32 C ATOM 1399 NE2 HIS A 99 3.408 -1.085 -7.343 1.00 44.30 N ATOM 0 H HIS A 99 0.095 1.429 -10.394 1.00 32.44 H new ATOM 0 HA HIS A 99 0.566 -1.380 -10.485 1.00 54.45 H new ATOM 0 HB2 HIS A 99 -0.004 0.729 -8.507 1.00 12.31 H new ATOM 0 HB3 HIS A 99 -0.734 -0.808 -8.090 1.00 12.31 H new ATOM 0 HD1 HIS A 99 1.131 -2.941 -8.409 1.00 62.41 H new ATOM 0 HD2 HIS A 99 2.536 0.915 -7.566 1.00 20.11 H new ATOM 0 HE1 HIS A 99 3.476 -3.221 -7.462 1.00 12.32 H new ATOM 1406 N SER A 100 -2.420 -0.433 -11.019 1.00 23.31 N ATOM 1407 CA SER A 100 -3.790 -0.859 -11.280 1.00 21.22 C ATOM 1408 C SER A 100 -3.900 -1.523 -12.650 1.00 2.13 C ATOM 1409 O SER A 100 -4.981 -1.946 -13.060 1.00 31.42 O ATOM 1410 CB SER A 100 -4.741 0.337 -11.202 1.00 40.11 C ATOM 1411 OG SER A 100 -5.137 0.759 -12.496 1.00 34.15 O ATOM 0 H SER A 100 -2.190 0.493 -11.380 1.00 23.31 H new ATOM 0 HA SER A 100 -4.070 -1.587 -10.519 1.00 21.22 H new ATOM 0 HB2 SER A 100 -5.621 0.068 -10.618 1.00 40.11 H new ATOM 0 HB3 SER A 100 -4.253 1.161 -10.681 1.00 40.11 H new ATOM 0 HG SER A 100 -4.433 1.316 -12.888 1.00 34.15 H new ATOM 1416 N ILE A 101 -2.775 -1.609 -13.351 1.00 71.00 N ATOM 1417 CA ILE A 101 -2.744 -2.222 -14.673 1.00 30.23 C ATOM 1418 C ILE A 101 -1.604 -3.229 -14.786 1.00 42.55 C ATOM 1419 O ILE A 101 -1.756 -4.288 -15.395 1.00 0.43 O ATOM 1420 CB ILE A 101 -2.591 -1.164 -15.781 1.00 65.34 C ATOM 1421 CG1 ILE A 101 -3.728 -0.143 -15.702 1.00 43.13 C ATOM 1422 CG2 ILE A 101 -2.563 -1.828 -17.149 1.00 21.32 C ATOM 1423 CD1 ILE A 101 -3.506 1.078 -16.569 1.00 11.43 C ATOM 0 H ILE A 101 -1.873 -1.262 -13.026 1.00 71.00 H new ATOM 0 HA ILE A 101 -3.695 -2.738 -14.804 1.00 30.23 H new ATOM 0 HB ILE A 101 -1.646 -0.641 -15.634 1.00 65.34 H new ATOM 0 HG12 ILE A 101 -4.659 -0.625 -15.999 1.00 43.13 H new ATOM 0 HG13 ILE A 101 -3.849 0.174 -14.666 1.00 43.13 H new ATOM 0 HG21 ILE A 101 -2.454 -1.066 -17.921 1.00 21.32 H new ATOM 0 HG22 ILE A 101 -1.722 -2.519 -17.201 1.00 21.32 H new ATOM 0 HG23 ILE A 101 -3.493 -2.375 -17.307 1.00 21.32 H new ATOM 0 HD11 ILE A 101 -4.351 1.758 -16.463 1.00 11.43 H new ATOM 0 HD12 ILE A 101 -2.592 1.584 -16.258 1.00 11.43 H new ATOM 0 HD13 ILE A 101 -3.415 0.772 -17.611 1.00 11.43 H new ATOM 1434 N SER A 102 -0.463 -2.891 -14.194 1.00 60.22 N ATOM 1435 CA SER A 102 0.704 -3.765 -14.230 1.00 42.44 C ATOM 1436 C SER A 102 1.369 -3.839 -12.859 1.00 13.31 C ATOM 1437 O SER A 102 2.410 -3.231 -12.611 1.00 35.40 O ATOM 1438 CB SER A 102 1.709 -3.265 -15.270 1.00 25.41 C ATOM 1439 OG SER A 102 2.934 -3.973 -15.176 1.00 73.14 O ATOM 0 H SER A 102 -0.322 -2.019 -13.684 1.00 60.22 H new ATOM 0 HA SER A 102 0.371 -4.765 -14.508 1.00 42.44 H new ATOM 0 HB2 SER A 102 1.292 -3.384 -16.270 1.00 25.41 H new ATOM 0 HB3 SER A 102 1.889 -2.200 -15.124 1.00 25.41 H new ATOM 0 HG SER A 102 3.559 -3.636 -15.852 1.00 73.14 H new ATOM 1444 N PRO A 103 0.752 -4.603 -11.945 1.00 32.22 N ATOM 1445 CA PRO A 103 1.266 -4.778 -10.583 1.00 52.51 C ATOM 1446 C PRO A 103 2.549 -5.600 -10.548 1.00 24.22 C ATOM 1447 O PRO A 103 2.633 -6.664 -11.162 1.00 10.53 O ATOM 1448 CB PRO A 103 0.134 -5.522 -9.870 1.00 72.12 C ATOM 1449 CG PRO A 103 -0.592 -6.238 -10.957 1.00 1.43 C ATOM 1450 CD PRO A 103 -0.493 -5.356 -12.170 1.00 35.53 C ATOM 0 HA PRO A 103 1.527 -3.826 -10.121 1.00 52.51 H new ATOM 0 HB2 PRO A 103 0.524 -6.219 -9.128 1.00 72.12 H new ATOM 0 HB3 PRO A 103 -0.524 -4.831 -9.343 1.00 72.12 H new ATOM 0 HG2 PRO A 103 -0.146 -7.214 -11.147 1.00 1.43 H new ATOM 0 HG3 PRO A 103 -1.633 -6.410 -10.684 1.00 1.43 H new ATOM 0 HD2 PRO A 103 -0.448 -5.940 -13.089 1.00 35.53 H new ATOM 0 HD3 PRO A 103 -1.354 -4.693 -12.256 1.00 35.53 H new ATOM 1455 N ILE A 104 3.547 -5.100 -9.826 1.00 72.34 N ATOM 1456 CA ILE A 104 4.826 -5.790 -9.711 1.00 63.11 C ATOM 1457 C ILE A 104 5.016 -6.364 -8.312 1.00 13.33 C ATOM 1458 O ILE A 104 4.936 -7.577 -8.111 1.00 62.10 O ATOM 1459 CB ILE A 104 6.003 -4.851 -10.032 1.00 41.34 C ATOM 1460 CG1 ILE A 104 5.866 -4.291 -11.449 1.00 74.34 C ATOM 1461 CG2 ILE A 104 7.326 -5.585 -9.873 1.00 11.12 C ATOM 1462 CD1 ILE A 104 6.965 -3.322 -11.826 1.00 52.53 C ATOM 0 H ILE A 104 3.494 -4.220 -9.312 1.00 72.34 H new ATOM 0 HA ILE A 104 4.812 -6.603 -10.437 1.00 63.11 H new ATOM 0 HB ILE A 104 5.985 -4.018 -9.329 1.00 41.34 H new ATOM 0 HG12 ILE A 104 5.863 -5.118 -12.159 1.00 74.34 H new ATOM 0 HG13 ILE A 104 4.903 -3.789 -11.541 1.00 74.34 H new ATOM 0 HG21 ILE A 104 8.148 -4.907 -10.104 1.00 11.12 H new ATOM 0 HG22 ILE A 104 7.425 -5.939 -8.847 1.00 11.12 H new ATOM 0 HG23 ILE A 104 7.355 -6.435 -10.555 1.00 11.12 H new ATOM 0 HD11 ILE A 104 6.803 -2.966 -12.843 1.00 52.53 H new ATOM 0 HD12 ILE A 104 6.955 -2.475 -11.139 1.00 52.53 H new ATOM 0 HD13 ILE A 104 7.930 -3.825 -11.767 1.00 52.53 H new ATOM 1473 N SER A 105 5.266 -5.486 -7.346 1.00 62.23 N ATOM 1474 CA SER A 105 5.469 -5.906 -5.964 1.00 70.43 C ATOM 1475 C SER A 105 4.218 -6.582 -5.412 1.00 53.22 C ATOM 1476 O SER A 105 4.292 -7.391 -4.486 1.00 73.32 O ATOM 1477 CB SER A 105 5.841 -4.705 -5.094 1.00 2.43 C ATOM 1478 OG SER A 105 4.854 -3.691 -5.176 1.00 63.04 O ATOM 0 H SER A 105 5.333 -4.479 -7.495 1.00 62.23 H new ATOM 0 HA SER A 105 6.287 -6.626 -5.945 1.00 70.43 H new ATOM 0 HB2 SER A 105 5.954 -5.024 -4.058 1.00 2.43 H new ATOM 0 HB3 SER A 105 6.804 -4.306 -5.412 1.00 2.43 H new ATOM 0 HG SER A 105 5.114 -2.935 -4.610 1.00 63.04 H new ATOM 1483 N LEU A 106 3.069 -6.244 -5.987 1.00 10.32 N ATOM 1484 CA LEU A 106 1.799 -6.817 -5.553 1.00 25.12 C ATOM 1485 C LEU A 106 1.386 -7.973 -6.459 1.00 64.54 C ATOM 1486 O LEU A 106 1.785 -8.056 -7.621 1.00 2.51 O ATOM 1487 CB LEU A 106 0.709 -5.744 -5.546 1.00 11.14 C ATOM 1488 CG LEU A 106 1.174 -4.316 -5.261 1.00 64.11 C ATOM 1489 CD1 LEU A 106 0.035 -3.331 -5.474 1.00 62.12 C ATOM 1490 CD2 LEU A 106 1.719 -4.205 -3.845 1.00 3.22 C ATOM 0 H LEU A 106 2.990 -5.577 -6.754 1.00 10.32 H new ATOM 0 HA LEU A 106 1.928 -7.201 -4.541 1.00 25.12 H new ATOM 0 HB2 LEU A 106 0.210 -5.755 -6.515 1.00 11.14 H new ATOM 0 HB3 LEU A 106 -0.037 -6.017 -4.800 1.00 11.14 H new ATOM 0 HG LEU A 106 1.975 -4.070 -5.958 1.00 64.11 H new ATOM 0 HD11 LEU A 106 0.385 -2.320 -5.266 1.00 62.12 H new ATOM 0 HD12 LEU A 106 -0.310 -3.391 -6.506 1.00 62.12 H new ATOM 0 HD13 LEU A 106 -0.788 -3.575 -4.802 1.00 62.12 H new ATOM 0 HD21 LEU A 106 2.045 -3.182 -3.660 1.00 3.22 H new ATOM 0 HD22 LEU A 106 0.938 -4.471 -3.133 1.00 3.22 H new ATOM 0 HD23 LEU A 106 2.565 -4.882 -3.726 1.00 3.22 H new ATOM 1501 N PRO A 107 0.566 -8.886 -5.917 1.00 43.25 N ATOM 1502 CA PRO A 107 0.079 -10.052 -6.660 1.00 54.13 C ATOM 1503 C PRO A 107 -0.911 -9.669 -7.756 1.00 24.13 C ATOM 1504 O PRO A 107 -0.868 -10.210 -8.860 1.00 32.33 O ATOM 1505 CB PRO A 107 -0.613 -10.893 -5.585 1.00 11.11 C ATOM 1506 CG PRO A 107 -1.011 -9.914 -4.535 1.00 20.12 C ATOM 1507 CD PRO A 107 0.051 -8.849 -4.538 1.00 33.43 C ATOM 0 HA PRO A 107 0.886 -10.573 -7.175 1.00 54.13 H new ATOM 0 HB2 PRO A 107 -1.481 -11.415 -5.989 1.00 11.11 H new ATOM 0 HB3 PRO A 107 0.058 -11.653 -5.184 1.00 11.11 H new ATOM 0 HG2 PRO A 107 -1.991 -9.488 -4.750 1.00 20.12 H new ATOM 0 HG3 PRO A 107 -1.079 -10.395 -3.559 1.00 20.12 H new ATOM 0 HD2 PRO A 107 -0.360 -7.871 -4.288 1.00 33.43 H new ATOM 0 HD3 PRO A 107 0.835 -9.061 -3.810 1.00 33.43 H new ATOM 1512 N CYS A 108 -1.801 -8.734 -7.442 1.00 44.35 N ATOM 1513 CA CYS A 108 -2.802 -8.278 -8.400 1.00 24.31 C ATOM 1514 C CYS A 108 -2.799 -6.756 -8.508 1.00 14.04 C ATOM 1515 O CYS A 108 -2.018 -6.079 -7.840 1.00 4.52 O ATOM 1516 CB CYS A 108 -4.190 -8.770 -7.990 1.00 34.14 C ATOM 1517 SG CYS A 108 -5.086 -9.631 -9.304 1.00 71.10 S ATOM 0 H CYS A 108 -1.850 -8.277 -6.531 1.00 44.35 H new ATOM 0 HA CYS A 108 -2.551 -8.693 -9.376 1.00 24.31 H new ATOM 0 HB2 CYS A 108 -4.089 -9.439 -7.135 1.00 34.14 H new ATOM 0 HB3 CYS A 108 -4.783 -7.917 -7.659 1.00 34.14 H new ATOM 0 HG CYS A 108 -6.247 -10.011 -8.860 1.00 71.10 H new ATOM 1522 N CYS A 109 -3.675 -6.228 -9.355 1.00 12.43 N ATOM 1523 CA CYS A 109 -3.772 -4.786 -9.553 1.00 1.41 C ATOM 1524 C CYS A 109 -4.488 -4.124 -8.379 1.00 43.44 C ATOM 1525 O CYS A 109 -5.499 -4.628 -7.889 1.00 53.44 O ATOM 1526 CB CYS A 109 -4.511 -4.478 -10.855 1.00 72.32 C ATOM 1527 SG CYS A 109 -4.009 -5.511 -12.251 1.00 32.51 S ATOM 0 H CYS A 109 -4.328 -6.776 -9.915 1.00 12.43 H new ATOM 0 HA CYS A 109 -2.761 -4.383 -9.614 1.00 1.41 H new ATOM 0 HB2 CYS A 109 -5.581 -4.603 -10.691 1.00 72.32 H new ATOM 0 HB3 CYS A 109 -4.348 -3.432 -11.114 1.00 72.32 H new ATOM 0 HG CYS A 109 -4.691 -5.177 -13.306 1.00 32.51 H new ATOM 1532 N LEU A 110 -3.955 -2.991 -7.932 1.00 54.02 N ATOM 1533 CA LEU A 110 -4.542 -2.259 -6.815 1.00 25.04 C ATOM 1534 C LEU A 110 -5.819 -1.544 -7.243 1.00 3.25 C ATOM 1535 O LEU A 110 -5.976 -1.177 -8.406 1.00 54.43 O ATOM 1536 CB LEU A 110 -3.538 -1.247 -6.259 1.00 74.22 C ATOM 1537 CG LEU A 110 -3.692 0.192 -6.756 1.00 32.45 C ATOM 1538 CD1 LEU A 110 -2.722 1.112 -6.033 1.00 63.45 C ATOM 1539 CD2 LEU A 110 -3.475 0.262 -8.260 1.00 74.45 C ATOM 0 H LEU A 110 -3.118 -2.560 -8.326 1.00 54.02 H new ATOM 0 HA LEU A 110 -4.795 -2.977 -6.035 1.00 25.04 H new ATOM 0 HB2 LEU A 110 -3.618 -1.246 -5.172 1.00 74.22 H new ATOM 0 HB3 LEU A 110 -2.533 -1.590 -6.504 1.00 74.22 H new ATOM 0 HG LEU A 110 -4.707 0.525 -6.539 1.00 32.45 H new ATOM 0 HD11 LEU A 110 -2.846 2.131 -6.399 1.00 63.45 H new ATOM 0 HD12 LEU A 110 -2.924 1.084 -4.962 1.00 63.45 H new ATOM 0 HD13 LEU A 110 -1.700 0.781 -6.218 1.00 63.45 H new ATOM 0 HD21 LEU A 110 -3.588 1.293 -8.596 1.00 74.45 H new ATOM 0 HD22 LEU A 110 -2.471 -0.090 -8.500 1.00 74.45 H new ATOM 0 HD23 LEU A 110 -4.210 -0.367 -8.763 1.00 74.45 H new ATOM 1550 N ARG A 111 -6.728 -1.349 -6.293 1.00 11.51 N ATOM 1551 CA ARG A 111 -7.991 -0.676 -6.571 1.00 33.33 C ATOM 1552 C ARG A 111 -7.906 0.807 -6.225 1.00 22.31 C ATOM 1553 O ARG A 111 -7.566 1.173 -5.099 1.00 72.34 O ATOM 1554 CB ARG A 111 -9.126 -1.331 -5.780 1.00 53.24 C ATOM 1555 CG ARG A 111 -10.309 -1.742 -6.641 1.00 33.22 C ATOM 1556 CD ARG A 111 -9.947 -2.883 -7.578 1.00 31.32 C ATOM 1557 NE ARG A 111 -10.543 -2.715 -8.901 1.00 30.42 N ATOM 1558 CZ ARG A 111 -11.817 -2.973 -9.171 1.00 43.51 C ATOM 1559 NH1 ARG A 111 -12.627 -3.406 -8.214 1.00 5.21 N ATOM 1560 NH2 ARG A 111 -12.286 -2.795 -10.400 1.00 33.14 N ATOM 0 H ARG A 111 -6.613 -1.647 -5.324 1.00 11.51 H new ATOM 0 HA ARG A 111 -8.197 -0.770 -7.637 1.00 33.33 H new ATOM 0 HB2 ARG A 111 -8.739 -2.210 -5.266 1.00 53.24 H new ATOM 0 HB3 ARG A 111 -9.470 -0.638 -5.012 1.00 53.24 H new ATOM 0 HG2 ARG A 111 -11.138 -2.044 -6.001 1.00 33.22 H new ATOM 0 HG3 ARG A 111 -10.651 -0.886 -7.223 1.00 33.22 H new ATOM 0 HD2 ARG A 111 -8.863 -2.943 -7.674 1.00 31.32 H new ATOM 0 HD3 ARG A 111 -10.282 -3.826 -7.147 1.00 31.32 H new ATOM 0 HE ARG A 111 -9.948 -2.381 -9.659 1.00 30.42 H new ATOM 0 HH11 ARG A 111 -12.272 -3.542 -7.268 1.00 5.21 H new ATOM 0 HH12 ARG A 111 -13.605 -3.603 -8.424 1.00 5.21 H new ATOM 0 HH21 ARG A 111 -11.667 -2.460 -11.138 1.00 33.14 H new ATOM 0 HH22 ARG A 111 -13.265 -2.994 -10.606 1.00 33.14 H new ATOM 1571 N ILE A 112 -8.214 1.655 -7.200 1.00 50.40 N ATOM 1572 CA ILE A 112 -8.173 3.098 -6.998 1.00 70.52 C ATOM 1573 C ILE A 112 -9.569 3.706 -7.084 1.00 10.20 C ATOM 1574 O ILE A 112 -9.929 4.362 -8.062 1.00 24.43 O ATOM 1575 CB ILE A 112 -7.262 3.785 -8.033 1.00 43.21 C ATOM 1576 CG1 ILE A 112 -5.864 3.163 -8.007 1.00 15.33 C ATOM 1577 CG2 ILE A 112 -7.186 5.280 -7.761 1.00 72.03 C ATOM 1578 CD1 ILE A 112 -4.985 3.604 -9.156 1.00 12.05 C ATOM 0 H ILE A 112 -8.495 1.368 -8.138 1.00 50.40 H new ATOM 0 HA ILE A 112 -7.768 3.265 -6.000 1.00 70.52 H new ATOM 0 HB ILE A 112 -7.688 3.636 -9.025 1.00 43.21 H new ATOM 0 HG12 ILE A 112 -5.377 3.423 -7.067 1.00 15.33 H new ATOM 0 HG13 ILE A 112 -5.958 2.077 -8.028 1.00 15.33 H new ATOM 0 HG21 ILE A 112 -6.539 5.752 -8.500 1.00 72.03 H new ATOM 0 HG22 ILE A 112 -8.185 5.713 -7.824 1.00 72.03 H new ATOM 0 HG23 ILE A 112 -6.780 5.448 -6.763 1.00 72.03 H new ATOM 0 HD11 ILE A 112 -4.010 3.124 -9.073 1.00 12.05 H new ATOM 0 HD12 ILE A 112 -5.450 3.320 -10.100 1.00 12.05 H new ATOM 0 HD13 ILE A 112 -4.860 4.686 -9.124 1.00 12.05 H new ATOM 1589 N PRO A 113 -10.376 3.486 -6.035 1.00 23.44 N ATOM 1590 CA PRO A 113 -11.744 4.006 -5.966 1.00 34.33 C ATOM 1591 C PRO A 113 -11.782 5.521 -5.801 1.00 60.24 C ATOM 1592 O PRO A 113 -12.820 6.151 -6.001 1.00 42.01 O ATOM 1593 CB PRO A 113 -12.323 3.319 -4.727 1.00 31.24 C ATOM 1594 CG PRO A 113 -11.138 3.004 -3.880 1.00 32.23 C ATOM 1595 CD PRO A 113 -10.013 2.713 -4.835 1.00 72.32 C ATOM 0 HA PRO A 113 -12.302 3.806 -6.881 1.00 34.33 H new ATOM 0 HB2 PRO A 113 -13.022 3.971 -4.203 1.00 31.24 H new ATOM 0 HB3 PRO A 113 -12.870 2.415 -4.995 1.00 31.24 H new ATOM 0 HG2 PRO A 113 -10.890 3.842 -3.228 1.00 32.23 H new ATOM 0 HG3 PRO A 113 -11.335 2.147 -3.236 1.00 32.23 H new ATOM 0 HD2 PRO A 113 -9.051 3.027 -4.430 1.00 72.32 H new ATOM 0 HD3 PRO A 113 -9.935 1.648 -5.052 1.00 72.32 H new ATOM 1600 N SER A 114 -10.642 6.100 -5.438 1.00 0.13 N ATOM 1601 CA SER A 114 -10.545 7.542 -5.243 1.00 53.42 C ATOM 1602 C SER A 114 -10.976 8.290 -6.501 1.00 71.34 C ATOM 1603 O SER A 114 -12.068 8.857 -6.559 1.00 24.02 O ATOM 1604 CB SER A 114 -9.115 7.932 -4.867 1.00 42.55 C ATOM 1605 OG SER A 114 -8.991 9.338 -4.724 1.00 32.41 O ATOM 0 H SER A 114 -9.773 5.593 -5.273 1.00 0.13 H new ATOM 0 HA SER A 114 -11.215 7.820 -4.429 1.00 53.42 H new ATOM 0 HB2 SER A 114 -8.834 7.442 -3.935 1.00 42.55 H new ATOM 0 HB3 SER A 114 -8.425 7.579 -5.633 1.00 42.55 H new ATOM 0 HG SER A 114 -8.068 9.562 -4.482 1.00 32.41 H new ATOM 1610 N LYS A 115 -10.109 8.287 -7.508 1.00 71.02 N ATOM 1611 CA LYS A 115 -10.397 8.964 -8.768 1.00 22.02 C ATOM 1612 C LYS A 115 -9.468 8.473 -9.873 1.00 14.11 C ATOM 1613 O LYS A 115 -9.866 7.674 -10.722 1.00 22.10 O ATOM 1614 CB LYS A 115 -10.253 10.479 -8.602 1.00 11.55 C ATOM 1615 CG LYS A 115 -8.994 10.892 -7.861 1.00 53.20 C ATOM 1616 CD LYS A 115 -8.505 12.258 -8.312 1.00 1.21 C ATOM 1617 CE LYS A 115 -7.046 12.478 -7.942 1.00 75.02 C ATOM 1618 NZ LYS A 115 -6.146 11.525 -8.647 1.00 23.45 N ATOM 0 H LYS A 115 -9.201 7.823 -7.477 1.00 71.02 H new ATOM 0 HA LYS A 115 -11.424 8.732 -9.050 1.00 22.02 H new ATOM 0 HB2 LYS A 115 -10.255 10.946 -9.587 1.00 11.55 H new ATOM 0 HB3 LYS A 115 -11.122 10.862 -8.067 1.00 11.55 H new ATOM 0 HG2 LYS A 115 -9.191 10.911 -6.789 1.00 53.20 H new ATOM 0 HG3 LYS A 115 -8.212 10.151 -8.029 1.00 53.20 H new ATOM 0 HD2 LYS A 115 -8.626 12.351 -9.391 1.00 1.21 H new ATOM 0 HD3 LYS A 115 -9.118 13.034 -7.855 1.00 1.21 H new ATOM 0 HE2 LYS A 115 -6.759 13.500 -8.190 1.00 75.02 H new ATOM 0 HE3 LYS A 115 -6.923 12.364 -6.865 1.00 75.02 H new ATOM 0 HZ1 LYS A 115 -5.186 11.923 -8.693 1.00 23.45 H new ATOM 0 HZ2 LYS A 115 -6.122 10.623 -8.130 1.00 23.45 H new ATOM 0 HZ3 LYS A 115 -6.500 11.362 -9.611 1.00 23.45 H new TER 1628 LYS A 115