USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 505 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 59 CYS SG : rot 180:sc= -2.18 USER MOD Set 1.2: A 62 CYS SG : rot 93:sc=-0.00563 USER MOD Set 2.1: A 8 CYS SG : rot -170:sc= 0.4 USER MOD Set 2.2: A 32 HIS : no HE2:sc= -0.906 K(o=-0.51,f=-3.2) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -170:sc= -3.34! USER MOD Single : A 12 SER OG : rot -22:sc= 0.917 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot -53:sc= 0.0383 USER MOD Single : A 19 THR OG1 : rot 106:sc= 0.0887 USER MOD Single : A 22 LYS NZ :NH3+ -164:sc= -0.0569 (180deg=-0.292) USER MOD Single : A 25 CYS SG : rot 17:sc= 0.186 USER MOD Single : A 27 GLN : amide:sc=-4.77e-05 K(o=-4.8e-05,f=-0.94) USER MOD Single : A 29 SER OG : rot 76:sc= 0.125 USER MOD Single : A 30 GLN : amide:sc= -1.5! C(o=-1.5!,f=-3!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 89:sc= 0.00472 USER MOD Single : A 37 ASN : amide:sc= -1.46 K(o=-1.5,f=-5.4!) USER MOD Single : A 38 CYS SG : rot 180:sc= -0.352 USER MOD Single : A 40 LYS NZ :NH3+ -120:sc= 0.905 (180deg=-0.0432) USER MOD Single : A 41 CYS SG : rot 180:sc= -1.85! USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -165:sc= -0.43 (180deg=-0.859) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -1.26 K(o=-1.3,f=-1.9) USER MOD Single : A 61 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0185) USER MOD Single : A 64 SER OG : rot 55:sc= 0.181 USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -36:sc= 0.346 USER MOD Single : A 71 SER OG : rot 180:sc= 0.122 USER MOD Single : A 74 SER OG : rot 38:sc= 0.0859 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.210 -10.585 -0.245 1.00 0.00 N ATOM 2 CA GLY A 1 4.340 -9.984 0.473 1.00 0.00 C ATOM 3 C GLY A 1 4.177 -10.112 1.976 1.00 0.00 C ATOM 4 O GLY A 1 3.676 -9.188 2.614 1.00 0.00 O ATOM 0 H1 GLY A 1 3.354 -10.480 -1.270 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.145 -11.595 -0.007 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.329 -10.107 0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.267 -10.468 0.164 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.425 -8.931 0.204 1.00 0.00 H new ATOM 8 N SER A 2 4.580 -11.251 2.544 1.00 0.00 N ATOM 9 CA SER A 2 4.519 -11.551 3.972 1.00 0.00 C ATOM 10 C SER A 2 5.716 -12.451 4.287 1.00 0.00 C ATOM 11 O SER A 2 5.927 -13.462 3.611 1.00 0.00 O ATOM 12 CB SER A 2 3.189 -12.229 4.330 1.00 0.00 C ATOM 13 OG SER A 2 2.098 -11.368 4.042 1.00 0.00 O ATOM 0 H SER A 2 4.973 -12.018 1.998 1.00 0.00 H new ATOM 0 HA SER A 2 4.566 -10.639 4.568 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.085 -13.158 3.769 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.182 -12.493 5.387 1.00 0.00 H new ATOM 0 HG SER A 2 1.258 -11.816 4.274 1.00 0.00 H new ATOM 19 N SER A 3 6.526 -12.086 5.273 1.00 0.00 N ATOM 20 CA SER A 3 7.713 -12.799 5.713 1.00 0.00 C ATOM 21 C SER A 3 7.646 -12.820 7.243 1.00 0.00 C ATOM 22 O SER A 3 8.312 -12.020 7.910 1.00 0.00 O ATOM 23 CB SER A 3 8.946 -12.093 5.119 1.00 0.00 C ATOM 24 OG SER A 3 10.150 -12.823 5.295 1.00 0.00 O ATOM 0 H SER A 3 6.361 -11.238 5.815 1.00 0.00 H new ATOM 0 HA SER A 3 7.779 -13.832 5.370 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.783 -11.926 4.054 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.053 -11.112 5.582 1.00 0.00 H new ATOM 0 HG SER A 3 10.895 -12.326 4.897 1.00 0.00 H new ATOM 30 N GLY A 4 6.796 -13.698 7.787 1.00 0.00 N ATOM 31 CA GLY A 4 6.560 -13.868 9.218 1.00 0.00 C ATOM 32 C GLY A 4 5.077 -14.087 9.552 1.00 0.00 C ATOM 33 O GLY A 4 4.743 -14.314 10.716 1.00 0.00 O ATOM 0 H GLY A 4 6.234 -14.332 7.218 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.139 -14.718 9.579 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.922 -12.987 9.749 1.00 0.00 H new ATOM 37 N SER A 5 4.180 -14.020 8.567 1.00 0.00 N ATOM 38 CA SER A 5 2.743 -14.197 8.711 1.00 0.00 C ATOM 39 C SER A 5 2.253 -15.025 7.520 1.00 0.00 C ATOM 40 O SER A 5 2.866 -14.998 6.452 1.00 0.00 O ATOM 41 CB SER A 5 2.115 -12.792 8.779 1.00 0.00 C ATOM 42 OG SER A 5 0.699 -12.792 8.888 1.00 0.00 O ATOM 0 H SER A 5 4.454 -13.832 7.603 1.00 0.00 H new ATOM 0 HA SER A 5 2.460 -14.733 9.617 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.534 -12.260 9.633 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.399 -12.235 7.886 1.00 0.00 H new ATOM 0 HG SER A 5 0.374 -11.868 8.928 1.00 0.00 H new ATOM 48 N SER A 6 1.129 -15.717 7.712 1.00 0.00 N ATOM 49 CA SER A 6 0.463 -16.580 6.740 1.00 0.00 C ATOM 50 C SER A 6 -1.073 -16.460 6.792 1.00 0.00 C ATOM 51 O SER A 6 -1.761 -17.038 5.944 1.00 0.00 O ATOM 52 CB SER A 6 0.897 -18.027 7.010 1.00 0.00 C ATOM 53 OG SER A 6 0.531 -18.397 8.329 1.00 0.00 O ATOM 0 H SER A 6 0.632 -15.687 8.602 1.00 0.00 H new ATOM 0 HA SER A 6 0.758 -16.266 5.739 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.428 -18.698 6.290 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.975 -18.124 6.881 1.00 0.00 H new ATOM 0 HG SER A 6 0.808 -19.322 8.498 1.00 0.00 H new ATOM 59 N GLY A 7 -1.639 -15.768 7.783 1.00 0.00 N ATOM 60 CA GLY A 7 -3.070 -15.571 7.980 1.00 0.00 C ATOM 61 C GLY A 7 -3.406 -14.091 7.882 1.00 0.00 C ATOM 62 O GLY A 7 -2.736 -13.370 7.148 1.00 0.00 O ATOM 0 H GLY A 7 -1.081 -15.309 8.503 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.630 -16.130 7.230 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.369 -15.957 8.955 1.00 0.00 H new ATOM 66 N CYS A 8 -4.440 -13.621 8.600 1.00 0.00 N ATOM 67 CA CYS A 8 -4.805 -12.196 8.558 1.00 0.00 C ATOM 68 C CYS A 8 -3.555 -11.380 8.882 1.00 0.00 C ATOM 69 O CYS A 8 -3.021 -11.581 9.966 1.00 0.00 O ATOM 70 CB CYS A 8 -5.887 -11.812 9.594 1.00 0.00 C ATOM 71 SG CYS A 8 -6.666 -10.234 9.164 1.00 0.00 S ATOM 0 H CYS A 8 -5.028 -14.195 9.205 1.00 0.00 H new ATOM 0 HA CYS A 8 -5.205 -11.993 7.565 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -6.644 -12.595 9.641 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -5.438 -11.742 10.585 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.413 -9.836 10.150 1.00 0.00 H new ATOM 76 N VAL A 9 -3.167 -10.403 8.066 1.00 0.00 N ATOM 77 CA VAL A 9 -1.973 -9.574 8.292 1.00 0.00 C ATOM 78 C VAL A 9 -1.906 -8.945 9.701 1.00 0.00 C ATOM 79 O VAL A 9 -0.816 -8.662 10.198 1.00 0.00 O ATOM 80 CB VAL A 9 -1.942 -8.470 7.214 1.00 0.00 C ATOM 81 CG1 VAL A 9 -0.756 -7.512 7.361 1.00 0.00 C ATOM 82 CG2 VAL A 9 -1.929 -9.034 5.792 1.00 0.00 C ATOM 0 H VAL A 9 -3.676 -10.157 7.217 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.102 -10.225 8.222 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.866 -7.915 7.378 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.795 -6.761 6.572 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.804 -7.020 8.333 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.176 -8.072 7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.907 -8.213 5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.046 -9.658 5.656 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.825 -9.633 5.630 1.00 0.00 H new ATOM 92 N ALA A 10 -3.061 -8.769 10.348 1.00 0.00 N ATOM 93 CA ALA A 10 -3.234 -8.170 11.665 1.00 0.00 C ATOM 94 C ALA A 10 -3.643 -9.146 12.776 1.00 0.00 C ATOM 95 O ALA A 10 -4.153 -8.716 13.813 1.00 0.00 O ATOM 96 CB ALA A 10 -4.310 -7.105 11.501 1.00 0.00 C ATOM 0 H ALA A 10 -3.949 -9.059 9.939 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.270 -7.778 11.989 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.487 -6.616 12.459 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -3.981 -6.365 10.771 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.233 -7.570 11.155 1.00 0.00 H new ATOM 102 N CYS A 11 -3.630 -10.459 12.534 1.00 0.00 N ATOM 103 CA CYS A 11 -3.994 -11.426 13.577 1.00 0.00 C ATOM 104 C CYS A 11 -3.369 -12.803 13.395 1.00 0.00 C ATOM 105 O CYS A 11 -3.498 -13.651 14.272 1.00 0.00 O ATOM 106 CB CYS A 11 -5.522 -11.555 13.681 1.00 0.00 C ATOM 107 SG CYS A 11 -6.325 -12.812 12.662 1.00 0.00 S ATOM 0 H CYS A 11 -3.375 -10.875 11.638 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.585 -11.025 14.505 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.772 -11.756 14.723 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -5.959 -10.589 13.429 1.00 0.00 H new ATOM 0 HG CYS A 11 -7.614 -12.650 12.709 1.00 0.00 H new ATOM 112 N SER A 12 -2.767 -13.063 12.238 1.00 0.00 N ATOM 113 CA SER A 12 -2.110 -14.295 11.825 1.00 0.00 C ATOM 114 C SER A 12 -3.018 -15.548 11.829 1.00 0.00 C ATOM 115 O SER A 12 -2.541 -16.643 11.521 1.00 0.00 O ATOM 116 CB SER A 12 -0.818 -14.455 12.649 1.00 0.00 C ATOM 117 OG SER A 12 -1.070 -14.861 13.984 1.00 0.00 O ATOM 0 H SER A 12 -2.724 -12.356 11.504 1.00 0.00 H new ATOM 0 HA SER A 12 -1.854 -14.208 10.769 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.172 -15.188 12.166 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.277 -13.509 12.657 1.00 0.00 H new ATOM 0 HG SER A 12 -1.991 -14.630 14.228 1.00 0.00 H new ATOM 123 N LYS A 13 -4.321 -15.432 12.139 1.00 0.00 N ATOM 124 CA LYS A 13 -5.210 -16.594 12.186 1.00 0.00 C ATOM 125 C LYS A 13 -5.498 -17.109 10.780 1.00 0.00 C ATOM 126 O LYS A 13 -5.573 -16.288 9.853 1.00 0.00 O ATOM 127 CB LYS A 13 -6.513 -16.310 12.949 1.00 0.00 C ATOM 128 CG LYS A 13 -6.256 -16.135 14.458 1.00 0.00 C ATOM 129 CD LYS A 13 -7.563 -16.056 15.253 1.00 0.00 C ATOM 130 CE LYS A 13 -8.158 -14.644 15.172 1.00 0.00 C ATOM 131 NZ LYS A 13 -9.602 -14.617 15.469 1.00 0.00 N ATOM 0 H LYS A 13 -4.776 -14.546 12.359 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.688 -17.373 12.742 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.980 -15.409 12.551 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -7.215 -17.129 12.791 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -5.658 -16.970 14.824 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.674 -15.229 14.625 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.277 -16.781 14.862 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.378 -16.320 16.294 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.635 -13.993 15.873 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.989 -14.240 14.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.952 -13.640 15.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -10.108 -15.215 14.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -9.765 -14.976 16.431 1.00 0.00 H new ATOM 145 N PRO A 14 -5.692 -18.429 10.626 1.00 0.00 N ATOM 146 CA PRO A 14 -5.955 -19.051 9.345 1.00 0.00 C ATOM 147 C PRO A 14 -7.354 -18.705 8.860 1.00 0.00 C ATOM 148 O PRO A 14 -8.356 -19.068 9.481 1.00 0.00 O ATOM 149 CB PRO A 14 -5.768 -20.552 9.565 1.00 0.00 C ATOM 150 CG PRO A 14 -6.080 -20.756 11.044 1.00 0.00 C ATOM 151 CD PRO A 14 -5.627 -19.442 11.676 1.00 0.00 C ATOM 0 HA PRO A 14 -5.280 -18.695 8.567 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.439 -21.134 8.933 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -4.752 -20.866 9.325 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.141 -20.939 11.211 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -5.541 -21.609 11.456 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -6.270 -19.173 12.514 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.614 -19.530 12.067 1.00 0.00 H new ATOM 159 N ILE A 15 -7.425 -17.950 7.769 1.00 0.00 N ATOM 160 CA ILE A 15 -8.688 -17.554 7.160 1.00 0.00 C ATOM 161 C ILE A 15 -9.311 -18.837 6.604 1.00 0.00 C ATOM 162 O ILE A 15 -8.595 -19.749 6.191 1.00 0.00 O ATOM 163 CB ILE A 15 -8.408 -16.476 6.097 1.00 0.00 C ATOM 164 CG1 ILE A 15 -7.882 -15.197 6.793 1.00 0.00 C ATOM 165 CG2 ILE A 15 -9.645 -16.122 5.250 1.00 0.00 C ATOM 166 CD1 ILE A 15 -6.791 -14.543 5.957 1.00 0.00 C ATOM 0 H ILE A 15 -6.603 -17.594 7.280 1.00 0.00 H new ATOM 0 HA ILE A 15 -9.393 -17.104 7.859 1.00 0.00 H new ATOM 0 HB ILE A 15 -7.663 -16.887 5.416 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.702 -14.495 6.944 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.491 -15.448 7.779 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.380 -15.357 4.520 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -9.997 -17.013 4.730 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -10.435 -15.745 5.900 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.434 -13.646 6.462 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.964 -15.241 5.829 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.193 -14.273 4.980 1.00 0.00 H new ATOM 178 N SER A 16 -10.640 -18.913 6.556 1.00 0.00 N ATOM 179 CA SER A 16 -11.387 -20.075 6.075 1.00 0.00 C ATOM 180 C SER A 16 -11.279 -20.369 4.568 1.00 0.00 C ATOM 181 O SER A 16 -12.170 -21.023 4.023 1.00 0.00 O ATOM 182 CB SER A 16 -12.843 -19.925 6.515 1.00 0.00 C ATOM 183 OG SER A 16 -13.392 -21.210 6.712 1.00 0.00 O ATOM 0 H SER A 16 -11.243 -18.148 6.858 1.00 0.00 H new ATOM 0 HA SER A 16 -10.923 -20.951 6.528 1.00 0.00 H new ATOM 0 HB2 SER A 16 -12.901 -19.344 7.436 1.00 0.00 H new ATOM 0 HB3 SER A 16 -13.412 -19.383 5.760 1.00 0.00 H new ATOM 0 HG SER A 16 -13.246 -21.754 5.910 1.00 0.00 H new ATOM 189 N GLY A 17 -10.242 -19.881 3.889 1.00 0.00 N ATOM 190 CA GLY A 17 -10.046 -20.107 2.473 1.00 0.00 C ATOM 191 C GLY A 17 -11.082 -19.375 1.626 1.00 0.00 C ATOM 192 O GLY A 17 -11.928 -18.618 2.112 1.00 0.00 O ATOM 0 H GLY A 17 -9.512 -19.313 4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.047 -19.777 2.189 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -10.099 -21.176 2.266 1.00 0.00 H new ATOM 196 N LEU A 18 -11.011 -19.614 0.319 1.00 0.00 N ATOM 197 CA LEU A 18 -11.890 -19.048 -0.700 1.00 0.00 C ATOM 198 C LEU A 18 -13.307 -19.638 -0.686 1.00 0.00 C ATOM 199 O LEU A 18 -14.073 -19.383 -1.616 1.00 0.00 O ATOM 200 CB LEU A 18 -11.205 -19.102 -2.074 1.00 0.00 C ATOM 201 CG LEU A 18 -10.768 -20.495 -2.563 1.00 0.00 C ATOM 202 CD1 LEU A 18 -11.947 -21.371 -2.994 1.00 0.00 C ATOM 203 CD2 LEU A 18 -9.810 -20.295 -3.732 1.00 0.00 C ATOM 0 H LEU A 18 -10.306 -20.236 -0.076 1.00 0.00 H new ATOM 0 HA LEU A 18 -12.052 -17.998 -0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.885 -18.678 -2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.326 -18.458 -2.044 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.287 -21.019 -1.737 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.577 -22.340 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.623 -21.512 -2.151 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.482 -20.885 -3.810 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.481 -21.266 -4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.318 -19.755 -4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.945 -19.721 -3.399 1.00 0.00 H new ATOM 215 N THR A 19 -13.716 -20.326 0.383 1.00 0.00 N ATOM 216 CA THR A 19 -15.025 -20.961 0.544 1.00 0.00 C ATOM 217 C THR A 19 -16.179 -19.940 0.632 1.00 0.00 C ATOM 218 O THR A 19 -17.355 -20.311 0.708 1.00 0.00 O ATOM 219 CB THR A 19 -14.959 -21.868 1.792 1.00 0.00 C ATOM 220 OG1 THR A 19 -13.764 -22.624 1.762 1.00 0.00 O ATOM 221 CG2 THR A 19 -16.142 -22.834 1.852 1.00 0.00 C ATOM 0 H THR A 19 -13.116 -20.461 1.196 1.00 0.00 H new ATOM 0 HA THR A 19 -15.247 -21.557 -0.341 1.00 0.00 H new ATOM 0 HB THR A 19 -14.990 -21.224 2.671 1.00 0.00 H new ATOM 0 HG1 THR A 19 -13.131 -22.261 2.416 1.00 0.00 H new ATOM 0 HG21 THR A 19 -16.060 -23.455 2.744 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.073 -22.268 1.889 1.00 0.00 H new ATOM 0 HG23 THR A 19 -16.138 -23.469 0.966 1.00 0.00 H new ATOM 229 N GLY A 20 -15.881 -18.643 0.559 1.00 0.00 N ATOM 230 CA GLY A 20 -16.868 -17.583 0.608 1.00 0.00 C ATOM 231 C GLY A 20 -16.780 -16.679 1.824 1.00 0.00 C ATOM 232 O GLY A 20 -17.733 -15.947 2.091 1.00 0.00 O ATOM 0 H GLY A 20 -14.925 -18.301 0.462 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -16.767 -16.971 -0.289 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -17.861 -18.031 0.578 1.00 0.00 H new ATOM 236 N ALA A 21 -15.703 -16.758 2.610 1.00 0.00 N ATOM 237 CA ALA A 21 -15.557 -15.888 3.766 1.00 0.00 C ATOM 238 C ALA A 21 -15.434 -14.445 3.251 1.00 0.00 C ATOM 239 O ALA A 21 -14.875 -14.207 2.177 1.00 0.00 O ATOM 240 CB ALA A 21 -14.328 -16.308 4.582 1.00 0.00 C ATOM 0 H ALA A 21 -14.931 -17.409 2.465 1.00 0.00 H new ATOM 0 HA ALA A 21 -16.420 -15.962 4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -14.224 -15.652 5.447 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -14.450 -17.337 4.919 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -13.436 -16.233 3.961 1.00 0.00 H new ATOM 246 N LYS A 22 -15.963 -13.479 4.001 1.00 0.00 N ATOM 247 CA LYS A 22 -15.900 -12.069 3.631 1.00 0.00 C ATOM 248 C LYS A 22 -14.496 -11.583 3.989 1.00 0.00 C ATOM 249 O LYS A 22 -14.172 -11.445 5.177 1.00 0.00 O ATOM 250 CB LYS A 22 -17.050 -11.306 4.304 1.00 0.00 C ATOM 251 CG LYS A 22 -17.062 -9.832 3.886 1.00 0.00 C ATOM 252 CD LYS A 22 -18.393 -9.136 4.200 1.00 0.00 C ATOM 253 CE LYS A 22 -19.495 -9.459 3.180 1.00 0.00 C ATOM 254 NZ LYS A 22 -19.180 -9.007 1.807 1.00 0.00 N ATOM 0 H LYS A 22 -16.447 -13.654 4.882 1.00 0.00 H new ATOM 0 HA LYS A 22 -16.046 -11.895 2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -18.000 -11.769 4.039 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.952 -11.378 5.387 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.254 -9.308 4.396 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.863 -9.761 2.817 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -18.727 -9.434 5.194 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.235 -8.058 4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.665 -10.536 3.169 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -20.426 -8.993 3.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.048 -9.004 1.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -18.784 -8.046 1.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -18.486 -9.653 1.380 1.00 0.00 H new ATOM 268 N PHE A 23 -13.657 -11.379 2.978 1.00 0.00 N ATOM 269 CA PHE A 23 -12.268 -10.947 3.069 1.00 0.00 C ATOM 270 C PHE A 23 -11.944 -9.860 2.047 1.00 0.00 C ATOM 271 O PHE A 23 -12.793 -9.516 1.225 1.00 0.00 O ATOM 272 CB PHE A 23 -11.326 -12.150 2.931 1.00 0.00 C ATOM 273 CG PHE A 23 -11.527 -13.084 1.745 1.00 0.00 C ATOM 274 CD1 PHE A 23 -11.385 -12.629 0.418 1.00 0.00 C ATOM 275 CD2 PHE A 23 -11.801 -14.446 1.978 1.00 0.00 C ATOM 276 CE1 PHE A 23 -11.560 -13.519 -0.657 1.00 0.00 C ATOM 277 CE2 PHE A 23 -12.000 -15.328 0.902 1.00 0.00 C ATOM 278 CZ PHE A 23 -11.881 -14.865 -0.420 1.00 0.00 C ATOM 0 H PHE A 23 -13.949 -11.521 2.011 1.00 0.00 H new ATOM 0 HA PHE A 23 -12.116 -10.505 4.054 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.305 -11.771 2.888 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.408 -12.744 3.841 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -11.141 -11.594 0.227 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -11.859 -14.815 2.991 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -11.447 -13.165 -1.671 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -12.245 -16.363 1.091 1.00 0.00 H new ATOM 0 HZ PHE A 23 -12.036 -15.541 -1.248 1.00 0.00 H new ATOM 288 N ILE A 24 -10.797 -9.208 2.225 1.00 0.00 N ATOM 289 CA ILE A 24 -10.239 -8.161 1.381 1.00 0.00 C ATOM 290 C ILE A 24 -8.886 -8.716 0.908 1.00 0.00 C ATOM 291 O ILE A 24 -8.250 -9.503 1.628 1.00 0.00 O ATOM 292 CB ILE A 24 -10.103 -6.823 2.142 1.00 0.00 C ATOM 293 CG1 ILE A 24 -11.415 -6.371 2.821 1.00 0.00 C ATOM 294 CG2 ILE A 24 -9.620 -5.705 1.202 1.00 0.00 C ATOM 295 CD1 ILE A 24 -12.528 -5.970 1.850 1.00 0.00 C ATOM 0 H ILE A 24 -10.192 -9.414 3.020 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.886 -7.924 0.536 1.00 0.00 H new ATOM 0 HB ILE A 24 -9.367 -7.004 2.926 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -11.778 -7.180 3.456 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -11.198 -5.526 3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.532 -4.773 1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -8.648 -5.973 0.787 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -10.337 -5.576 0.391 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -13.411 -5.667 2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -12.189 -5.139 1.232 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -12.778 -6.818 1.213 1.00 0.00 H new ATOM 307 N CYS A 25 -8.465 -8.361 -0.307 1.00 0.00 N ATOM 308 CA CYS A 25 -7.210 -8.794 -0.900 1.00 0.00 C ATOM 309 C CYS A 25 -6.476 -7.590 -1.480 1.00 0.00 C ATOM 310 O CYS A 25 -7.047 -6.889 -2.318 1.00 0.00 O ATOM 311 CB CYS A 25 -7.509 -9.843 -1.976 1.00 0.00 C ATOM 312 SG CYS A 25 -6.075 -10.926 -2.169 1.00 0.00 S ATOM 0 H CYS A 25 -9.006 -7.748 -0.917 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.565 -9.244 -0.145 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.386 -10.427 -1.697 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.740 -9.354 -2.922 1.00 0.00 H new ATOM 0 HG CYS A 25 -5.289 -10.792 -1.142 1.00 0.00 H new ATOM 318 N PHE A 26 -5.283 -7.276 -0.973 1.00 0.00 N ATOM 319 CA PHE A 26 -4.468 -6.170 -1.460 1.00 0.00 C ATOM 320 C PHE A 26 -3.005 -6.587 -1.335 1.00 0.00 C ATOM 321 O PHE A 26 -2.633 -7.140 -0.299 1.00 0.00 O ATOM 322 CB PHE A 26 -4.773 -4.891 -0.668 1.00 0.00 C ATOM 323 CG PHE A 26 -4.114 -3.642 -1.215 1.00 0.00 C ATOM 324 CD1 PHE A 26 -4.357 -3.248 -2.546 1.00 0.00 C ATOM 325 CD2 PHE A 26 -3.282 -2.857 -0.393 1.00 0.00 C ATOM 326 CE1 PHE A 26 -3.756 -2.087 -3.058 1.00 0.00 C ATOM 327 CE2 PHE A 26 -2.686 -1.692 -0.906 1.00 0.00 C ATOM 328 CZ PHE A 26 -2.919 -1.311 -2.239 1.00 0.00 C ATOM 0 H PHE A 26 -4.854 -7.790 -0.204 1.00 0.00 H new ATOM 0 HA PHE A 26 -4.693 -5.948 -2.503 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.852 -4.739 -0.649 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.453 -5.033 0.364 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.007 -3.840 -3.173 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -3.102 -3.150 0.631 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.937 -1.791 -4.081 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -2.049 -1.089 -0.276 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.454 -0.420 -2.634 1.00 0.00 H new ATOM 338 N GLN A 27 -2.166 -6.281 -2.328 1.00 0.00 N ATOM 339 CA GLN A 27 -0.741 -6.617 -2.378 1.00 0.00 C ATOM 340 C GLN A 27 -0.523 -8.097 -2.036 1.00 0.00 C ATOM 341 O GLN A 27 0.384 -8.439 -1.272 1.00 0.00 O ATOM 342 CB GLN A 27 0.074 -5.674 -1.469 1.00 0.00 C ATOM 343 CG GLN A 27 -0.024 -4.185 -1.833 1.00 0.00 C ATOM 344 CD GLN A 27 0.724 -3.793 -3.107 1.00 0.00 C ATOM 345 OE1 GLN A 27 1.324 -4.604 -3.811 1.00 0.00 O ATOM 346 NE2 GLN A 27 0.723 -2.510 -3.417 1.00 0.00 N ATOM 0 H GLN A 27 -2.475 -5.770 -3.155 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.378 -6.468 -3.395 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -0.261 -5.805 -0.440 1.00 0.00 H new ATOM 0 HB3 GLN A 27 1.121 -5.974 -1.504 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.075 -3.921 -1.948 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.364 -3.595 -1.003 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.223 -1.844 -2.828 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.222 -2.185 -4.245 1.00 0.00 H new ATOM 355 N ASP A 28 -1.370 -8.980 -2.576 1.00 0.00 N ATOM 356 CA ASP A 28 -1.377 -10.440 -2.386 1.00 0.00 C ATOM 357 C ASP A 28 -1.612 -10.840 -0.931 1.00 0.00 C ATOM 358 O ASP A 28 -1.591 -12.024 -0.596 1.00 0.00 O ATOM 359 CB ASP A 28 -0.099 -11.115 -2.909 1.00 0.00 C ATOM 360 CG ASP A 28 0.171 -10.821 -4.375 1.00 0.00 C ATOM 361 OD1 ASP A 28 -0.696 -11.170 -5.211 1.00 0.00 O ATOM 362 OD2 ASP A 28 1.229 -10.224 -4.670 1.00 0.00 O ATOM 0 H ASP A 28 -2.119 -8.677 -3.199 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.217 -10.798 -2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.751 -10.780 -2.315 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.181 -12.193 -2.770 1.00 0.00 H new ATOM 367 N SER A 29 -1.826 -9.874 -0.047 1.00 0.00 N ATOM 368 CA SER A 29 -2.059 -10.063 1.367 1.00 0.00 C ATOM 369 C SER A 29 -3.538 -10.357 1.588 1.00 0.00 C ATOM 370 O SER A 29 -4.377 -10.142 0.706 1.00 0.00 O ATOM 371 CB SER A 29 -1.543 -8.843 2.119 1.00 0.00 C ATOM 372 OG SER A 29 -0.232 -8.517 1.673 1.00 0.00 O ATOM 0 H SER A 29 -1.841 -8.891 -0.317 1.00 0.00 H new ATOM 0 HA SER A 29 -1.513 -10.920 1.761 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.212 -7.997 1.959 1.00 0.00 H new ATOM 0 HB3 SER A 29 -1.533 -9.043 3.190 1.00 0.00 H new ATOM 0 HG SER A 29 -0.284 -8.078 0.799 1.00 0.00 H new ATOM 378 N GLN A 30 -3.861 -10.857 2.772 1.00 0.00 N ATOM 379 CA GLN A 30 -5.195 -11.254 3.153 1.00 0.00 C ATOM 380 C GLN A 30 -5.635 -10.567 4.436 1.00 0.00 C ATOM 381 O GLN A 30 -5.030 -10.730 5.498 1.00 0.00 O ATOM 382 CB GLN A 30 -5.261 -12.793 3.214 1.00 0.00 C ATOM 383 CG GLN A 30 -4.212 -13.536 4.070 1.00 0.00 C ATOM 384 CD GLN A 30 -2.781 -13.347 3.573 1.00 0.00 C ATOM 385 OE1 GLN A 30 -2.013 -12.585 4.155 1.00 0.00 O ATOM 386 NE2 GLN A 30 -2.448 -13.915 2.428 1.00 0.00 N ATOM 0 H GLN A 30 -3.174 -10.999 3.513 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.913 -10.925 2.402 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.248 -13.069 3.584 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.186 -13.170 2.194 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.280 -13.186 5.100 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -4.448 -14.600 4.079 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -3.101 -14.545 1.962 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.537 -13.724 2.010 1.00 0.00 H new ATOM 395 N TRP A 31 -6.695 -9.769 4.330 1.00 0.00 N ATOM 396 CA TRP A 31 -7.264 -9.048 5.448 1.00 0.00 C ATOM 397 C TRP A 31 -8.711 -9.485 5.609 1.00 0.00 C ATOM 398 O TRP A 31 -9.442 -9.705 4.642 1.00 0.00 O ATOM 399 CB TRP A 31 -7.162 -7.534 5.242 1.00 0.00 C ATOM 400 CG TRP A 31 -5.975 -6.863 5.862 1.00 0.00 C ATOM 401 CD1 TRP A 31 -5.926 -6.410 7.136 1.00 0.00 C ATOM 402 CD2 TRP A 31 -4.711 -6.451 5.254 1.00 0.00 C ATOM 403 NE1 TRP A 31 -4.743 -5.744 7.352 1.00 0.00 N ATOM 404 CE2 TRP A 31 -3.977 -5.693 6.215 1.00 0.00 C ATOM 405 CE3 TRP A 31 -4.117 -6.610 3.984 1.00 0.00 C ATOM 406 CZ2 TRP A 31 -2.743 -5.096 5.930 1.00 0.00 C ATOM 407 CZ3 TRP A 31 -2.900 -5.973 3.669 1.00 0.00 C ATOM 408 CH2 TRP A 31 -2.210 -5.229 4.640 1.00 0.00 C ATOM 0 H TRP A 31 -7.184 -9.608 3.449 1.00 0.00 H new ATOM 0 HA TRP A 31 -6.706 -9.278 6.356 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.149 -7.334 4.171 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -8.065 -7.072 5.641 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -6.702 -6.551 7.874 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -4.469 -5.338 8.247 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.602 -7.228 3.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -2.211 -4.543 6.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -2.494 -6.058 2.672 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.269 -4.760 4.393 1.00 0.00 H new ATOM 419 N HIS A 32 -9.106 -9.709 6.855 1.00 0.00 N ATOM 420 CA HIS A 32 -10.463 -10.091 7.221 1.00 0.00 C ATOM 421 C HIS A 32 -11.276 -8.793 7.198 1.00 0.00 C ATOM 422 O HIS A 32 -10.696 -7.728 7.432 1.00 0.00 O ATOM 423 CB HIS A 32 -10.465 -10.560 8.674 1.00 0.00 C ATOM 424 CG HIS A 32 -10.000 -11.954 9.003 1.00 0.00 C ATOM 425 ND1 HIS A 32 -9.069 -12.254 10.016 1.00 0.00 N ATOM 426 CD2 HIS A 32 -10.586 -13.101 8.560 1.00 0.00 C ATOM 427 CE1 HIS A 32 -9.105 -13.605 10.118 1.00 0.00 C ATOM 428 NE2 HIS A 32 -10.016 -14.125 9.282 1.00 0.00 N ATOM 0 H HIS A 32 -8.479 -9.629 7.656 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.849 -10.866 6.559 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -9.845 -9.866 9.242 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -11.483 -10.458 9.049 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -8.497 -11.602 10.552 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -11.345 -13.189 7.796 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -8.483 -14.185 10.784 1.00 0.00 H new ATOM 436 N SER A 33 -12.596 -8.851 7.004 1.00 0.00 N ATOM 437 CA SER A 33 -13.430 -7.654 7.004 1.00 0.00 C ATOM 438 C SER A 33 -13.245 -6.931 8.348 1.00 0.00 C ATOM 439 O SER A 33 -12.980 -5.732 8.362 1.00 0.00 O ATOM 440 CB SER A 33 -14.879 -8.072 6.711 1.00 0.00 C ATOM 441 OG SER A 33 -15.794 -7.000 6.581 1.00 0.00 O ATOM 0 H SER A 33 -13.108 -9.719 6.845 1.00 0.00 H new ATOM 0 HA SER A 33 -13.144 -6.946 6.226 1.00 0.00 H new ATOM 0 HB2 SER A 33 -14.894 -8.657 5.791 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.221 -8.728 7.511 1.00 0.00 H new ATOM 0 HG SER A 33 -16.688 -7.354 6.394 1.00 0.00 H new ATOM 447 N GLU A 34 -13.282 -7.648 9.480 1.00 0.00 N ATOM 448 CA GLU A 34 -13.108 -7.072 10.821 1.00 0.00 C ATOM 449 C GLU A 34 -11.705 -6.501 11.113 1.00 0.00 C ATOM 450 O GLU A 34 -11.475 -5.979 12.205 1.00 0.00 O ATOM 451 CB GLU A 34 -13.579 -8.051 11.901 1.00 0.00 C ATOM 452 CG GLU A 34 -12.993 -9.466 11.875 1.00 0.00 C ATOM 453 CD GLU A 34 -11.506 -9.557 12.199 1.00 0.00 C ATOM 454 OE1 GLU A 34 -10.684 -9.293 11.303 1.00 0.00 O ATOM 455 OE2 GLU A 34 -11.081 -10.041 13.274 1.00 0.00 O ATOM 0 H GLU A 34 -13.435 -8.656 9.490 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.752 -6.193 10.845 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -13.356 -7.612 12.874 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -14.663 -8.134 11.830 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -13.542 -10.083 12.586 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -13.160 -9.894 10.886 1.00 0.00 H new ATOM 462 N CYS A 35 -10.763 -6.587 10.170 1.00 0.00 N ATOM 463 CA CYS A 35 -9.406 -6.085 10.302 1.00 0.00 C ATOM 464 C CYS A 35 -8.995 -5.151 9.166 1.00 0.00 C ATOM 465 O CYS A 35 -7.895 -4.616 9.243 1.00 0.00 O ATOM 466 CB CYS A 35 -8.417 -7.235 10.577 1.00 0.00 C ATOM 467 SG CYS A 35 -8.196 -7.507 12.347 1.00 0.00 S ATOM 0 H CYS A 35 -10.937 -7.024 9.265 1.00 0.00 H new ATOM 0 HA CYS A 35 -9.375 -5.442 11.182 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -8.782 -8.150 10.110 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.454 -7.006 10.120 1.00 0.00 H new ATOM 0 HG CYS A 35 -9.090 -8.351 12.771 1.00 0.00 H new ATOM 472 N PHE A 36 -9.802 -4.969 8.115 1.00 0.00 N ATOM 473 CA PHE A 36 -9.424 -4.041 7.053 1.00 0.00 C ATOM 474 C PHE A 36 -10.024 -2.720 7.525 1.00 0.00 C ATOM 475 O PHE A 36 -11.232 -2.490 7.396 1.00 0.00 O ATOM 476 CB PHE A 36 -9.946 -4.511 5.694 1.00 0.00 C ATOM 477 CG PHE A 36 -9.389 -3.707 4.532 1.00 0.00 C ATOM 478 CD1 PHE A 36 -8.028 -3.817 4.175 1.00 0.00 C ATOM 479 CD2 PHE A 36 -10.229 -2.837 3.807 1.00 0.00 C ATOM 480 CE1 PHE A 36 -7.520 -3.075 3.099 1.00 0.00 C ATOM 481 CE2 PHE A 36 -9.713 -2.088 2.735 1.00 0.00 C ATOM 482 CZ PHE A 36 -8.357 -2.209 2.384 1.00 0.00 C ATOM 0 H PHE A 36 -10.697 -5.440 7.981 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.349 -3.958 6.892 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.690 -5.562 5.557 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.034 -4.444 5.686 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.376 -4.474 4.732 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -11.271 -2.746 4.076 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.481 -3.172 2.821 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -10.357 -1.421 2.182 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.960 -1.633 1.561 1.00 0.00 H new ATOM 492 N ASN A 37 -9.187 -1.860 8.106 1.00 0.00 N ATOM 493 CA ASN A 37 -9.616 -0.582 8.650 1.00 0.00 C ATOM 494 C ASN A 37 -8.527 0.494 8.564 1.00 0.00 C ATOM 495 O ASN A 37 -7.412 0.216 8.133 1.00 0.00 O ATOM 496 CB ASN A 37 -10.100 -0.851 10.085 1.00 0.00 C ATOM 497 CG ASN A 37 -9.006 -1.255 11.064 1.00 0.00 C ATOM 498 OD1 ASN A 37 -7.900 -0.731 11.028 1.00 0.00 O ATOM 499 ND2 ASN A 37 -9.285 -2.143 12.003 1.00 0.00 N ATOM 0 H ASN A 37 -8.188 -2.036 8.210 1.00 0.00 H new ATOM 0 HA ASN A 37 -10.431 -0.166 8.057 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.592 0.046 10.462 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.852 -1.639 10.058 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.579 -2.391 12.696 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -10.206 -2.580 12.034 1.00 0.00 H new ATOM 506 N CYS A 38 -8.837 1.735 8.972 1.00 0.00 N ATOM 507 CA CYS A 38 -7.883 2.839 8.922 1.00 0.00 C ATOM 508 C CYS A 38 -6.696 2.636 9.864 1.00 0.00 C ATOM 509 O CYS A 38 -6.902 2.748 11.063 1.00 0.00 O ATOM 510 CB CYS A 38 -8.487 4.214 9.262 1.00 0.00 C ATOM 511 SG CYS A 38 -7.294 5.503 8.794 1.00 0.00 S ATOM 0 H CYS A 38 -9.751 1.994 9.342 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.561 2.834 7.881 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -9.427 4.357 8.729 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.712 4.275 10.327 1.00 0.00 H new ATOM 0 HG CYS A 38 -7.788 6.673 9.072 1.00 0.00 H new ATOM 516 N GLY A 39 -5.464 2.587 9.372 1.00 0.00 N ATOM 517 CA GLY A 39 -4.246 2.423 10.156 1.00 0.00 C ATOM 518 C GLY A 39 -4.037 3.545 11.178 1.00 0.00 C ATOM 519 O GLY A 39 -3.156 3.434 12.026 1.00 0.00 O ATOM 0 H GLY A 39 -5.279 2.664 8.372 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.282 1.466 10.677 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.389 2.388 9.483 1.00 0.00 H new ATOM 523 N LYS A 40 -4.817 4.641 11.117 1.00 0.00 N ATOM 524 CA LYS A 40 -4.726 5.752 12.049 1.00 0.00 C ATOM 525 C LYS A 40 -5.874 5.824 13.071 1.00 0.00 C ATOM 526 O LYS A 40 -5.705 6.483 14.092 1.00 0.00 O ATOM 527 CB LYS A 40 -4.596 7.048 11.250 1.00 0.00 C ATOM 528 CG LYS A 40 -3.164 7.230 10.745 1.00 0.00 C ATOM 529 CD LYS A 40 -2.882 8.609 10.131 1.00 0.00 C ATOM 530 CE LYS A 40 -1.383 8.941 10.223 1.00 0.00 C ATOM 531 NZ LYS A 40 -0.524 8.074 9.386 1.00 0.00 N ATOM 0 H LYS A 40 -5.535 4.769 10.404 1.00 0.00 H new ATOM 0 HA LYS A 40 -3.839 5.592 12.662 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.285 7.031 10.406 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.877 7.896 11.875 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.475 7.066 11.574 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.954 6.463 9.999 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.200 8.622 9.089 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.462 9.371 10.651 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.232 9.979 9.927 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -1.065 8.856 11.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.155 7.569 9.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.115 7.385 8.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.007 8.658 8.698 1.00 0.00 H new ATOM 545 N CYS A 41 -7.053 5.248 12.797 1.00 0.00 N ATOM 546 CA CYS A 41 -8.197 5.254 13.714 1.00 0.00 C ATOM 547 C CYS A 41 -9.047 3.971 13.793 1.00 0.00 C ATOM 548 O CYS A 41 -10.075 3.958 14.467 1.00 0.00 O ATOM 549 CB CYS A 41 -9.142 6.399 13.366 1.00 0.00 C ATOM 550 SG CYS A 41 -10.495 6.114 12.209 1.00 0.00 S ATOM 0 H CYS A 41 -7.239 4.759 11.921 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.722 5.358 14.689 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -9.579 6.756 14.298 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.536 7.212 12.966 1.00 0.00 H new ATOM 0 HG CYS A 41 -11.174 7.212 12.056 1.00 0.00 H new ATOM 555 N SER A 42 -8.756 2.956 12.992 1.00 0.00 N ATOM 556 CA SER A 42 -9.444 1.672 12.963 1.00 0.00 C ATOM 557 C SER A 42 -10.874 1.654 12.393 1.00 0.00 C ATOM 558 O SER A 42 -11.589 0.670 12.569 1.00 0.00 O ATOM 559 CB SER A 42 -9.243 0.944 14.302 1.00 0.00 C ATOM 560 OG SER A 42 -7.857 0.911 14.596 1.00 0.00 O ATOM 0 H SER A 42 -7.998 3.007 12.312 1.00 0.00 H new ATOM 0 HA SER A 42 -8.958 1.081 12.186 1.00 0.00 H new ATOM 0 HB2 SER A 42 -9.786 1.456 15.096 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.642 -0.069 14.245 1.00 0.00 H new ATOM 0 HG SER A 42 -7.714 0.450 15.449 1.00 0.00 H new ATOM 566 N VAL A 43 -11.312 2.698 11.677 1.00 0.00 N ATOM 567 CA VAL A 43 -12.646 2.717 11.056 1.00 0.00 C ATOM 568 C VAL A 43 -12.587 1.771 9.855 1.00 0.00 C ATOM 569 O VAL A 43 -11.621 1.852 9.090 1.00 0.00 O ATOM 570 CB VAL A 43 -13.060 4.135 10.600 1.00 0.00 C ATOM 571 CG1 VAL A 43 -12.080 4.792 9.616 1.00 0.00 C ATOM 572 CG2 VAL A 43 -14.425 4.161 9.900 1.00 0.00 C ATOM 0 H VAL A 43 -10.763 3.542 11.513 1.00 0.00 H new ATOM 0 HA VAL A 43 -13.394 2.401 11.783 1.00 0.00 H new ATOM 0 HB VAL A 43 -13.079 4.688 11.539 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -12.445 5.783 9.347 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -11.099 4.881 10.084 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -12.000 4.179 8.718 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -14.662 5.183 9.603 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -14.393 3.524 9.016 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -15.191 3.795 10.583 1.00 0.00 H new ATOM 582 N SER A 44 -13.585 0.910 9.667 1.00 0.00 N ATOM 583 CA SER A 44 -13.605 -0.014 8.540 1.00 0.00 C ATOM 584 C SER A 44 -13.536 0.750 7.212 1.00 0.00 C ATOM 585 O SER A 44 -14.169 1.800 7.053 1.00 0.00 O ATOM 586 CB SER A 44 -14.880 -0.854 8.596 1.00 0.00 C ATOM 587 OG SER A 44 -14.789 -1.917 7.675 1.00 0.00 O ATOM 0 H SER A 44 -14.393 0.835 10.285 1.00 0.00 H new ATOM 0 HA SER A 44 -12.735 -0.667 8.603 1.00 0.00 H new ATOM 0 HB2 SER A 44 -15.026 -1.244 9.603 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.746 -0.234 8.366 1.00 0.00 H new ATOM 0 HG SER A 44 -15.607 -2.455 7.714 1.00 0.00 H new ATOM 593 N LEU A 45 -12.767 0.225 6.256 1.00 0.00 N ATOM 594 CA LEU A 45 -12.591 0.797 4.916 1.00 0.00 C ATOM 595 C LEU A 45 -13.253 -0.107 3.867 1.00 0.00 C ATOM 596 O LEU A 45 -13.123 0.157 2.668 1.00 0.00 O ATOM 597 CB LEU A 45 -11.089 0.983 4.604 1.00 0.00 C ATOM 598 CG LEU A 45 -10.281 1.912 5.537 1.00 0.00 C ATOM 599 CD1 LEU A 45 -8.867 2.173 4.978 1.00 0.00 C ATOM 600 CD2 LEU A 45 -10.938 3.271 5.824 1.00 0.00 C ATOM 0 H LEU A 45 -12.234 -0.634 6.395 1.00 0.00 H new ATOM 0 HA LEU A 45 -13.071 1.775 4.884 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.618 0.000 4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.001 1.366 3.587 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.240 1.365 6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -8.323 2.830 5.657 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.333 1.227 4.883 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -8.944 2.646 3.999 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.297 3.852 6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.078 3.812 4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.906 3.114 6.301 1.00 0.00 H new ATOM 612 N VAL A 46 -13.919 -1.178 4.306 1.00 0.00 N ATOM 613 CA VAL A 46 -14.622 -2.130 3.467 1.00 0.00 C ATOM 614 C VAL A 46 -15.745 -1.342 2.785 1.00 0.00 C ATOM 615 O VAL A 46 -16.558 -0.711 3.467 1.00 0.00 O ATOM 616 CB VAL A 46 -15.130 -3.295 4.347 1.00 0.00 C ATOM 617 CG1 VAL A 46 -15.883 -4.345 3.522 1.00 0.00 C ATOM 618 CG2 VAL A 46 -13.968 -4.001 5.073 1.00 0.00 C ATOM 0 H VAL A 46 -13.981 -1.408 5.298 1.00 0.00 H new ATOM 0 HA VAL A 46 -13.993 -2.584 2.701 1.00 0.00 H new ATOM 0 HB VAL A 46 -15.807 -2.849 5.076 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -16.224 -5.147 4.177 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -16.743 -3.880 3.040 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -15.218 -4.755 2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.361 -4.815 5.683 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -13.270 -4.402 4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -13.450 -3.286 5.712 1.00 0.00 H new ATOM 628 N GLY A 47 -15.773 -1.342 1.452 1.00 0.00 N ATOM 629 CA GLY A 47 -16.770 -0.630 0.668 1.00 0.00 C ATOM 630 C GLY A 47 -16.590 0.887 0.734 1.00 0.00 C ATOM 631 O GLY A 47 -17.588 1.603 0.657 1.00 0.00 O ATOM 0 H GLY A 47 -15.092 -1.845 0.883 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -16.711 -0.955 -0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -17.765 -0.891 1.028 1.00 0.00 H new ATOM 635 N LYS A 48 -15.363 1.396 0.915 1.00 0.00 N ATOM 636 CA LYS A 48 -15.084 2.832 1.001 1.00 0.00 C ATOM 637 C LYS A 48 -13.800 3.184 0.256 1.00 0.00 C ATOM 638 O LYS A 48 -12.840 2.411 0.277 1.00 0.00 O ATOM 639 CB LYS A 48 -14.951 3.239 2.476 1.00 0.00 C ATOM 640 CG LYS A 48 -16.214 2.989 3.306 1.00 0.00 C ATOM 641 CD LYS A 48 -16.245 3.742 4.639 1.00 0.00 C ATOM 642 CE LYS A 48 -16.776 5.176 4.547 1.00 0.00 C ATOM 643 NZ LYS A 48 -15.932 6.093 3.763 1.00 0.00 N ATOM 0 H LYS A 48 -14.530 0.815 1.006 1.00 0.00 H new ATOM 0 HA LYS A 48 -15.909 3.374 0.539 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.121 2.690 2.921 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.697 4.298 2.529 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.085 3.277 2.718 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.301 1.920 3.502 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -16.863 3.184 5.343 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -15.236 3.767 5.051 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -17.772 5.153 4.105 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -16.884 5.575 5.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.214 7.075 3.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.935 5.960 4.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -16.050 5.892 2.749 1.00 0.00 H new ATOM 657 N GLY A 49 -13.705 4.401 -0.277 1.00 0.00 N ATOM 658 CA GLY A 49 -12.538 4.871 -1.017 1.00 0.00 C ATOM 659 C GLY A 49 -11.370 5.231 -0.100 1.00 0.00 C ATOM 660 O GLY A 49 -11.481 6.203 0.656 1.00 0.00 O ATOM 0 H GLY A 49 -14.447 5.097 -0.205 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.221 4.099 -1.718 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.814 5.744 -1.608 1.00 0.00 H new ATOM 664 N PHE A 50 -10.307 4.417 -0.092 1.00 0.00 N ATOM 665 CA PHE A 50 -9.077 4.599 0.689 1.00 0.00 C ATOM 666 C PHE A 50 -7.972 5.121 -0.237 1.00 0.00 C ATOM 667 O PHE A 50 -8.192 5.267 -1.442 1.00 0.00 O ATOM 668 CB PHE A 50 -8.643 3.334 1.455 1.00 0.00 C ATOM 669 CG PHE A 50 -8.212 2.125 0.646 1.00 0.00 C ATOM 670 CD1 PHE A 50 -6.861 1.954 0.285 1.00 0.00 C ATOM 671 CD2 PHE A 50 -9.141 1.112 0.352 1.00 0.00 C ATOM 672 CE1 PHE A 50 -6.442 0.776 -0.358 1.00 0.00 C ATOM 673 CE2 PHE A 50 -8.720 -0.065 -0.294 1.00 0.00 C ATOM 674 CZ PHE A 50 -7.368 -0.237 -0.641 1.00 0.00 C ATOM 0 H PHE A 50 -10.280 3.570 -0.659 1.00 0.00 H new ATOM 0 HA PHE A 50 -9.278 5.335 1.467 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -7.817 3.608 2.112 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -9.472 3.030 2.094 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -6.144 2.731 0.503 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -10.179 1.237 0.622 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.405 0.652 -0.634 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -9.437 -0.839 -0.524 1.00 0.00 H new ATOM 0 HZ PHE A 50 -7.044 -1.147 -1.124 1.00 0.00 H new ATOM 684 N LEU A 51 -6.831 5.502 0.337 1.00 0.00 N ATOM 685 CA LEU A 51 -5.650 6.032 -0.354 1.00 0.00 C ATOM 686 C LEU A 51 -4.447 5.231 0.128 1.00 0.00 C ATOM 687 O LEU A 51 -4.556 4.582 1.173 1.00 0.00 O ATOM 688 CB LEU A 51 -5.413 7.517 -0.013 1.00 0.00 C ATOM 689 CG LEU A 51 -6.536 8.487 -0.382 1.00 0.00 C ATOM 690 CD1 LEU A 51 -7.621 8.428 0.682 1.00 0.00 C ATOM 691 CD2 LEU A 51 -6.046 9.939 -0.416 1.00 0.00 C ATOM 0 H LEU A 51 -6.696 5.448 1.347 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.798 5.951 -1.431 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.231 7.597 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.502 7.842 -0.516 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.901 8.193 -1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.423 9.118 0.422 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.019 7.415 0.740 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.200 8.708 1.647 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.874 10.596 -0.682 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -5.663 10.217 0.566 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.252 10.038 -1.156 1.00 0.00 H new ATOM 703 N THR A 52 -3.319 5.290 -0.583 1.00 0.00 N ATOM 704 CA THR A 52 -2.108 4.562 -0.202 1.00 0.00 C ATOM 705 C THR A 52 -0.858 5.444 -0.323 1.00 0.00 C ATOM 706 O THR A 52 -0.577 6.001 -1.389 1.00 0.00 O ATOM 707 CB THR A 52 -1.989 3.207 -0.942 1.00 0.00 C ATOM 708 OG1 THR A 52 -1.658 3.304 -2.313 1.00 0.00 O ATOM 709 CG2 THR A 52 -3.274 2.377 -0.886 1.00 0.00 C ATOM 0 H THR A 52 -3.220 5.841 -1.435 1.00 0.00 H new ATOM 0 HA THR A 52 -2.191 4.307 0.855 1.00 0.00 H new ATOM 0 HB THR A 52 -1.175 2.728 -0.399 1.00 0.00 H new ATOM 0 HG1 THR A 52 -1.602 2.406 -2.700 1.00 0.00 H new ATOM 0 HG21 THR A 52 -3.126 1.440 -1.423 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.525 2.164 0.153 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.088 2.935 -1.349 1.00 0.00 H new ATOM 717 N GLN A 53 -0.174 5.695 0.792 1.00 0.00 N ATOM 718 CA GLN A 53 1.052 6.484 0.896 1.00 0.00 C ATOM 719 C GLN A 53 1.931 5.825 1.962 1.00 0.00 C ATOM 720 O GLN A 53 1.406 5.128 2.832 1.00 0.00 O ATOM 721 CB GLN A 53 0.731 7.950 1.218 1.00 0.00 C ATOM 722 CG GLN A 53 1.934 8.883 1.009 1.00 0.00 C ATOM 723 CD GLN A 53 1.551 10.335 1.272 1.00 0.00 C ATOM 724 OE1 GLN A 53 1.115 10.680 2.372 1.00 0.00 O ATOM 725 NE2 GLN A 53 1.724 11.218 0.311 1.00 0.00 N ATOM 0 H GLN A 53 -0.477 5.334 1.696 1.00 0.00 H new ATOM 0 HA GLN A 53 1.590 6.501 -0.052 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -0.095 8.283 0.589 1.00 0.00 H new ATOM 0 HB3 GLN A 53 0.394 8.025 2.252 1.00 0.00 H new ATOM 0 HG2 GLN A 53 2.746 8.591 1.675 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.306 8.780 -0.010 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.086 10.921 -0.595 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.497 12.199 0.473 1.00 0.00 H new ATOM 734 N ASN A 54 3.254 6.030 1.934 1.00 0.00 N ATOM 735 CA ASN A 54 4.192 5.465 2.913 1.00 0.00 C ATOM 736 C ASN A 54 4.110 3.934 2.971 1.00 0.00 C ATOM 737 O ASN A 54 4.420 3.317 3.992 1.00 0.00 O ATOM 738 CB ASN A 54 3.993 6.113 4.305 1.00 0.00 C ATOM 739 CG ASN A 54 4.118 7.630 4.308 1.00 0.00 C ATOM 740 OD1 ASN A 54 3.188 8.352 4.671 1.00 0.00 O ATOM 741 ND2 ASN A 54 5.245 8.166 3.871 1.00 0.00 N ATOM 0 H ASN A 54 3.709 6.600 1.221 1.00 0.00 H new ATOM 0 HA ASN A 54 5.202 5.705 2.580 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.008 5.840 4.684 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.727 5.697 4.996 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.346 9.180 3.834 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.013 7.565 3.571 1.00 0.00 H new ATOM 748 N LYS A 55 3.744 3.301 1.850 1.00 0.00 N ATOM 749 CA LYS A 55 3.586 1.853 1.706 1.00 0.00 C ATOM 750 C LYS A 55 2.448 1.343 2.601 1.00 0.00 C ATOM 751 O LYS A 55 2.401 0.148 2.877 1.00 0.00 O ATOM 752 CB LYS A 55 4.912 1.081 1.929 1.00 0.00 C ATOM 753 CG LYS A 55 6.164 1.639 1.235 1.00 0.00 C ATOM 754 CD LYS A 55 6.254 1.319 -0.263 1.00 0.00 C ATOM 755 CE LYS A 55 6.751 -0.106 -0.537 1.00 0.00 C ATOM 756 NZ LYS A 55 8.225 -0.194 -0.649 1.00 0.00 N ATOM 0 H LYS A 55 3.543 3.805 0.986 1.00 0.00 H new ATOM 0 HA LYS A 55 3.308 1.653 0.671 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.106 1.043 3.001 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.767 0.054 1.594 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.185 2.721 1.365 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.048 1.241 1.733 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.272 1.450 -0.718 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.925 2.032 -0.743 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.413 -0.763 0.265 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.300 -0.471 -1.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.501 -1.180 -0.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.550 0.409 -1.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.660 0.126 0.239 1.00 0.00 H new ATOM 770 N GLU A 56 1.574 2.208 3.103 1.00 0.00 N ATOM 771 CA GLU A 56 0.434 1.880 3.948 1.00 0.00 C ATOM 772 C GLU A 56 -0.821 2.356 3.211 1.00 0.00 C ATOM 773 O GLU A 56 -0.747 2.918 2.116 1.00 0.00 O ATOM 774 CB GLU A 56 0.547 2.583 5.316 1.00 0.00 C ATOM 775 CG GLU A 56 1.722 2.125 6.192 1.00 0.00 C ATOM 776 CD GLU A 56 1.605 0.674 6.667 1.00 0.00 C ATOM 777 OE1 GLU A 56 0.580 0.308 7.287 1.00 0.00 O ATOM 778 OE2 GLU A 56 2.571 -0.106 6.474 1.00 0.00 O ATOM 0 H GLU A 56 1.646 3.209 2.921 1.00 0.00 H new ATOM 0 HA GLU A 56 0.395 0.807 4.137 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.636 3.656 5.149 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.380 2.422 5.867 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.649 2.241 5.631 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.792 2.778 7.062 1.00 0.00 H new ATOM 785 N ILE A 57 -1.979 2.105 3.811 1.00 0.00 N ATOM 786 CA ILE A 57 -3.292 2.483 3.316 1.00 0.00 C ATOM 787 C ILE A 57 -3.845 3.484 4.350 1.00 0.00 C ATOM 788 O ILE A 57 -3.520 3.358 5.536 1.00 0.00 O ATOM 789 CB ILE A 57 -4.166 1.212 3.103 1.00 0.00 C ATOM 790 CG1 ILE A 57 -4.517 0.491 4.419 1.00 0.00 C ATOM 791 CG2 ILE A 57 -3.510 0.181 2.166 1.00 0.00 C ATOM 792 CD1 ILE A 57 -5.315 -0.810 4.281 1.00 0.00 C ATOM 0 H ILE A 57 -2.027 1.607 4.700 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.274 2.961 2.337 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.077 1.597 2.645 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -3.590 0.271 4.948 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.086 1.178 5.046 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.167 -0.682 2.057 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -3.340 0.633 1.189 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.557 -0.139 2.588 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -5.504 -1.228 5.270 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -6.265 -0.604 3.787 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -4.745 -1.525 3.688 1.00 0.00 H new ATOM 804 N PHE A 58 -4.685 4.464 3.985 1.00 0.00 N ATOM 805 CA PHE A 58 -5.266 5.439 4.922 1.00 0.00 C ATOM 806 C PHE A 58 -6.685 5.835 4.510 1.00 0.00 C ATOM 807 O PHE A 58 -7.067 5.738 3.344 1.00 0.00 O ATOM 808 CB PHE A 58 -4.390 6.696 5.080 1.00 0.00 C ATOM 809 CG PHE A 58 -3.005 6.434 5.651 1.00 0.00 C ATOM 810 CD1 PHE A 58 -2.863 5.991 6.984 1.00 0.00 C ATOM 811 CD2 PHE A 58 -1.859 6.580 4.846 1.00 0.00 C ATOM 812 CE1 PHE A 58 -1.593 5.672 7.496 1.00 0.00 C ATOM 813 CE2 PHE A 58 -0.587 6.289 5.369 1.00 0.00 C ATOM 814 CZ PHE A 58 -0.453 5.827 6.690 1.00 0.00 C ATOM 0 H PHE A 58 -4.984 4.604 3.020 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.309 4.942 5.891 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.283 7.173 4.106 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.907 7.405 5.727 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.735 5.897 7.614 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -1.957 6.916 3.824 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.494 5.308 8.508 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.291 6.421 4.754 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.525 5.592 7.084 1.00 0.00 H new ATOM 824 N CYS A 59 -7.487 6.289 5.490 1.00 0.00 N ATOM 825 CA CYS A 59 -8.863 6.714 5.222 1.00 0.00 C ATOM 826 C CYS A 59 -8.773 8.075 4.487 1.00 0.00 C ATOM 827 O CYS A 59 -7.825 8.821 4.759 1.00 0.00 O ATOM 828 CB CYS A 59 -9.714 6.881 6.520 1.00 0.00 C ATOM 829 SG CYS A 59 -9.678 8.533 7.187 1.00 0.00 S ATOM 0 H CYS A 59 -7.204 6.369 6.467 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.361 5.948 4.627 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.747 6.607 6.305 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.350 6.185 7.276 1.00 0.00 H new ATOM 0 HG CYS A 59 -10.410 8.584 8.260 1.00 0.00 H new ATOM 834 N GLN A 60 -9.781 8.488 3.709 1.00 0.00 N ATOM 835 CA GLN A 60 -9.766 9.783 3.004 1.00 0.00 C ATOM 836 C GLN A 60 -9.578 10.942 3.993 1.00 0.00 C ATOM 837 O GLN A 60 -8.644 11.718 3.838 1.00 0.00 O ATOM 838 CB GLN A 60 -11.038 9.973 2.147 1.00 0.00 C ATOM 839 CG GLN A 60 -10.906 9.660 0.648 1.00 0.00 C ATOM 840 CD GLN A 60 -10.237 10.756 -0.181 1.00 0.00 C ATOM 841 OE1 GLN A 60 -10.278 11.939 0.160 1.00 0.00 O ATOM 842 NE2 GLN A 60 -9.667 10.383 -1.317 1.00 0.00 N ATOM 0 H GLN A 60 -10.627 7.941 3.549 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.914 9.783 2.324 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -11.825 9.342 2.560 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.370 11.006 2.252 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -10.336 8.738 0.533 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -11.900 9.473 0.242 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.646 9.397 -1.577 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.249 11.082 -1.931 1.00 0.00 H new ATOM 851 N LYS A 61 -10.365 11.019 5.074 1.00 0.00 N ATOM 852 CA LYS A 61 -10.274 12.077 6.103 1.00 0.00 C ATOM 853 C LYS A 61 -8.881 12.214 6.730 1.00 0.00 C ATOM 854 O LYS A 61 -8.539 13.252 7.291 1.00 0.00 O ATOM 855 CB LYS A 61 -11.315 11.733 7.188 1.00 0.00 C ATOM 856 CG LYS A 61 -11.433 12.647 8.422 1.00 0.00 C ATOM 857 CD LYS A 61 -11.933 14.066 8.136 1.00 0.00 C ATOM 858 CE LYS A 61 -13.379 14.128 7.622 1.00 0.00 C ATOM 859 NZ LYS A 61 -14.365 13.641 8.609 1.00 0.00 N ATOM 0 H LYS A 61 -11.099 10.337 5.267 1.00 0.00 H new ATOM 0 HA LYS A 61 -10.469 13.040 5.631 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.293 11.700 6.708 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.100 10.725 7.544 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.108 12.178 9.138 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.456 12.713 8.901 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.857 14.658 9.048 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.277 14.530 7.400 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.619 15.157 7.354 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.461 13.534 6.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.326 13.770 8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -14.199 12.632 8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.265 14.178 9.494 1.00 0.00 H new ATOM 873 N CYS A 62 -8.109 11.133 6.699 1.00 0.00 N ATOM 874 CA CYS A 62 -6.763 11.017 7.254 1.00 0.00 C ATOM 875 C CYS A 62 -5.687 11.227 6.176 1.00 0.00 C ATOM 876 O CYS A 62 -4.558 11.575 6.502 1.00 0.00 O ATOM 877 CB CYS A 62 -6.753 9.807 8.222 1.00 0.00 C ATOM 878 SG CYS A 62 -7.841 10.406 9.545 1.00 0.00 S ATOM 0 H CYS A 62 -8.422 10.266 6.262 1.00 0.00 H new ATOM 0 HA CYS A 62 -6.453 11.830 7.911 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -7.136 8.901 7.752 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -5.751 9.578 8.585 1.00 0.00 H new ATOM 0 HG CYS A 62 -9.061 10.026 9.309 1.00 0.00 H new ATOM 883 N GLY A 63 -6.047 11.132 4.897 1.00 0.00 N ATOM 884 CA GLY A 63 -5.157 11.341 3.764 1.00 0.00 C ATOM 885 C GLY A 63 -5.314 12.752 3.176 1.00 0.00 C ATOM 886 O GLY A 63 -4.379 13.226 2.541 1.00 0.00 O ATOM 0 H GLY A 63 -6.999 10.899 4.615 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.124 11.190 4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -5.367 10.599 2.993 1.00 0.00 H new ATOM 890 N SER A 64 -6.435 13.445 3.427 1.00 0.00 N ATOM 891 CA SER A 64 -6.768 14.785 2.949 1.00 0.00 C ATOM 892 C SER A 64 -5.579 15.752 2.962 1.00 0.00 C ATOM 893 O SER A 64 -5.135 16.200 4.021 1.00 0.00 O ATOM 894 CB SER A 64 -7.908 15.373 3.786 1.00 0.00 C ATOM 895 OG SER A 64 -9.165 14.797 3.493 1.00 0.00 O ATOM 0 H SER A 64 -7.177 13.054 4.007 1.00 0.00 H new ATOM 0 HA SER A 64 -7.074 14.670 1.909 1.00 0.00 H new ATOM 0 HB2 SER A 64 -7.686 15.228 4.843 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.959 16.448 3.615 1.00 0.00 H new ATOM 0 HG SER A 64 -9.109 13.823 3.588 1.00 0.00 H new ATOM 901 N GLY A 65 -5.106 16.113 1.779 1.00 0.00 N ATOM 902 CA GLY A 65 -4.000 17.010 1.515 1.00 0.00 C ATOM 903 C GLY A 65 -3.711 16.899 0.027 1.00 0.00 C ATOM 904 O GLY A 65 -4.498 16.293 -0.710 1.00 0.00 O ATOM 0 H GLY A 65 -5.519 15.758 0.916 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -4.256 18.034 1.787 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -3.125 16.733 2.103 1.00 0.00 H new ATOM 908 N MET A 66 -2.669 17.568 -0.440 1.00 0.00 N ATOM 909 CA MET A 66 -2.233 17.548 -1.823 1.00 0.00 C ATOM 910 C MET A 66 -0.808 18.063 -1.770 1.00 0.00 C ATOM 911 O MET A 66 -0.545 19.065 -1.101 1.00 0.00 O ATOM 912 CB MET A 66 -3.147 18.366 -2.760 1.00 0.00 C ATOM 913 CG MET A 66 -3.027 19.895 -2.676 1.00 0.00 C ATOM 914 SD MET A 66 -1.738 20.575 -3.759 1.00 0.00 S ATOM 915 CE MET A 66 -1.889 22.343 -3.399 1.00 0.00 C ATOM 0 H MET A 66 -2.086 18.158 0.154 1.00 0.00 H new ATOM 0 HA MET A 66 -2.286 16.549 -2.255 1.00 0.00 H new ATOM 0 HB2 MET A 66 -2.940 18.064 -3.787 1.00 0.00 H new ATOM 0 HB3 MET A 66 -4.181 18.093 -2.550 1.00 0.00 H new ATOM 0 HG2 MET A 66 -3.986 20.343 -2.938 1.00 0.00 H new ATOM 0 HG3 MET A 66 -2.814 20.180 -1.646 1.00 0.00 H new ATOM 0 HE1 MET A 66 -1.160 22.898 -3.990 1.00 0.00 H new ATOM 0 HE2 MET A 66 -2.894 22.681 -3.651 1.00 0.00 H new ATOM 0 HE3 MET A 66 -1.704 22.516 -2.339 1.00 0.00 H new ATOM 925 N ASP A 67 0.107 17.380 -2.442 1.00 0.00 N ATOM 926 CA ASP A 67 1.515 17.759 -2.472 1.00 0.00 C ATOM 927 C ASP A 67 1.964 17.944 -3.921 1.00 0.00 C ATOM 928 O ASP A 67 3.169 17.999 -4.177 1.00 0.00 O ATOM 929 CB ASP A 67 2.371 16.746 -1.689 1.00 0.00 C ATOM 930 CG ASP A 67 2.130 16.772 -0.180 1.00 0.00 C ATOM 931 OD1 ASP A 67 1.858 17.850 0.397 1.00 0.00 O ATOM 932 OD2 ASP A 67 2.197 15.699 0.458 1.00 0.00 O ATOM 0 H ASP A 67 -0.106 16.543 -2.985 1.00 0.00 H new ATOM 0 HA ASP A 67 1.654 18.716 -1.969 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.164 15.743 -2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.424 16.948 -1.883 1.00 0.00 H new ATOM 937 N THR A 68 1.018 18.049 -4.867 1.00 0.00 N ATOM 938 CA THR A 68 1.300 18.243 -6.286 1.00 0.00 C ATOM 939 C THR A 68 2.141 19.515 -6.466 1.00 0.00 C ATOM 940 O THR A 68 2.973 19.599 -7.376 1.00 0.00 O ATOM 941 CB THR A 68 -0.011 18.260 -7.108 1.00 0.00 C ATOM 942 OG1 THR A 68 -0.893 19.280 -6.685 1.00 0.00 O ATOM 943 CG2 THR A 68 -0.827 16.968 -7.004 1.00 0.00 C ATOM 0 H THR A 68 0.021 18.000 -4.657 1.00 0.00 H new ATOM 0 HA THR A 68 1.884 17.406 -6.669 1.00 0.00 H new ATOM 0 HB THR A 68 0.341 18.411 -8.129 1.00 0.00 H new ATOM 0 HG1 THR A 68 -0.833 19.382 -5.712 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.730 17.059 -7.607 1.00 0.00 H new ATOM 0 HG22 THR A 68 -0.231 16.131 -7.367 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.102 16.794 -5.964 1.00 0.00 H new ATOM 951 N ASP A 69 1.896 20.519 -5.620 1.00 0.00 N ATOM 952 CA ASP A 69 2.576 21.799 -5.559 1.00 0.00 C ATOM 953 C ASP A 69 2.183 22.477 -4.238 1.00 0.00 C ATOM 954 O ASP A 69 1.359 21.958 -3.479 1.00 0.00 O ATOM 955 CB ASP A 69 2.238 22.702 -6.765 1.00 0.00 C ATOM 956 CG ASP A 69 3.242 23.848 -6.932 1.00 0.00 C ATOM 957 OD1 ASP A 69 4.312 23.810 -6.279 1.00 0.00 O ATOM 958 OD2 ASP A 69 2.993 24.767 -7.738 1.00 0.00 O ATOM 0 H ASP A 69 1.164 20.445 -4.913 1.00 0.00 H new ATOM 0 HA ASP A 69 3.653 21.635 -5.601 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.222 22.100 -7.674 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.237 23.114 -6.638 1.00 0.00 H new ATOM 963 N ILE A 70 2.762 23.641 -3.977 1.00 0.00 N ATOM 964 CA ILE A 70 2.592 24.529 -2.842 1.00 0.00 C ATOM 965 C ILE A 70 2.378 25.933 -3.413 1.00 0.00 C ATOM 966 O ILE A 70 1.506 26.660 -2.932 1.00 0.00 O ATOM 967 CB ILE A 70 3.852 24.467 -1.949 1.00 0.00 C ATOM 968 CG1 ILE A 70 3.951 23.064 -1.319 1.00 0.00 C ATOM 969 CG2 ILE A 70 3.870 25.574 -0.876 1.00 0.00 C ATOM 970 CD1 ILE A 70 5.077 22.908 -0.295 1.00 0.00 C ATOM 0 H ILE A 70 3.440 24.027 -4.634 1.00 0.00 H new ATOM 0 HA ILE A 70 1.742 24.244 -2.222 1.00 0.00 H new ATOM 0 HB ILE A 70 4.727 24.647 -2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.003 22.828 -0.836 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.095 22.332 -2.113 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.776 25.485 -0.276 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.850 26.550 -1.360 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.997 25.470 -0.232 1.00 0.00 H new ATOM 0 HD11 ILE A 70 5.074 21.891 0.097 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.035 23.109 -0.774 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.926 23.613 0.523 1.00 0.00 H new ATOM 982 N SER A 71 3.182 26.297 -4.417 1.00 0.00 N ATOM 983 CA SER A 71 3.185 27.569 -5.113 1.00 0.00 C ATOM 984 C SER A 71 1.849 27.845 -5.808 1.00 0.00 C ATOM 985 O SER A 71 1.000 26.960 -5.946 1.00 0.00 O ATOM 986 CB SER A 71 4.302 27.540 -6.173 1.00 0.00 C ATOM 987 OG SER A 71 5.390 26.688 -5.834 1.00 0.00 O ATOM 0 H SER A 71 3.892 25.662 -4.782 1.00 0.00 H new ATOM 0 HA SER A 71 3.350 28.360 -4.381 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.880 27.215 -7.124 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.677 28.553 -6.320 1.00 0.00 H new ATOM 0 HG SER A 71 6.061 26.715 -6.548 1.00 0.00 H new ATOM 993 N GLY A 72 1.654 29.090 -6.245 1.00 0.00 N ATOM 994 CA GLY A 72 0.459 29.530 -6.953 1.00 0.00 C ATOM 995 C GLY A 72 0.730 29.534 -8.462 1.00 0.00 C ATOM 996 O GLY A 72 1.872 29.334 -8.877 1.00 0.00 O ATOM 0 H GLY A 72 2.339 29.834 -6.112 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.376 28.868 -6.725 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.174 30.528 -6.621 1.00 0.00 H new ATOM 1000 N PRO A 73 -0.281 29.822 -9.300 1.00 0.00 N ATOM 1001 CA PRO A 73 -0.146 29.865 -10.760 1.00 0.00 C ATOM 1002 C PRO A 73 0.644 31.090 -11.264 1.00 0.00 C ATOM 1003 O PRO A 73 0.622 31.391 -12.457 1.00 0.00 O ATOM 1004 CB PRO A 73 -1.590 29.855 -11.281 1.00 0.00 C ATOM 1005 CG PRO A 73 -2.366 30.561 -10.171 1.00 0.00 C ATOM 1006 CD PRO A 73 -1.658 30.076 -8.908 1.00 0.00 C ATOM 0 HA PRO A 73 0.435 29.019 -11.127 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.679 30.381 -12.232 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.953 28.840 -11.443 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.319 31.645 -10.271 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -3.421 30.286 -10.176 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.708 30.826 -8.119 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.127 29.172 -8.519 1.00 0.00 H new ATOM 1014 N SER A 74 1.299 31.837 -10.376 1.00 0.00 N ATOM 1015 CA SER A 74 2.080 33.020 -10.677 1.00 0.00 C ATOM 1016 C SER A 74 3.235 33.071 -9.684 1.00 0.00 C ATOM 1017 O SER A 74 3.006 32.902 -8.483 1.00 0.00 O ATOM 1018 CB SER A 74 1.178 34.256 -10.546 1.00 0.00 C ATOM 1019 OG SER A 74 0.463 34.250 -9.319 1.00 0.00 O ATOM 0 H SER A 74 1.294 31.616 -9.380 1.00 0.00 H new ATOM 0 HA SER A 74 2.476 32.996 -11.692 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.785 35.159 -10.610 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.475 34.284 -11.378 1.00 0.00 H new ATOM 0 HG SER A 74 1.037 33.897 -8.608 1.00 0.00 H new ATOM 1025 N SER A 75 4.453 33.291 -10.171 1.00 0.00 N ATOM 1026 CA SER A 75 5.668 33.391 -9.386 1.00 0.00 C ATOM 1027 C SER A 75 6.525 34.420 -10.123 1.00 0.00 C ATOM 1028 O SER A 75 6.600 34.379 -11.355 1.00 0.00 O ATOM 1029 CB SER A 75 6.327 32.007 -9.294 1.00 0.00 C ATOM 1030 OG SER A 75 7.327 31.961 -8.297 1.00 0.00 O ATOM 0 H SER A 75 4.622 33.409 -11.170 1.00 0.00 H new ATOM 0 HA SER A 75 5.506 33.708 -8.356 1.00 0.00 H new ATOM 0 HB2 SER A 75 5.566 31.257 -9.079 1.00 0.00 H new ATOM 0 HB3 SER A 75 6.765 31.749 -10.258 1.00 0.00 H new ATOM 0 HG SER A 75 7.720 31.064 -8.269 1.00 0.00 H new ATOM 1036 N GLY A 76 7.130 35.341 -9.381 1.00 0.00 N ATOM 1037 CA GLY A 76 7.977 36.425 -9.835 1.00 0.00 C ATOM 1038 C GLY A 76 8.099 37.399 -8.674 1.00 0.00 C ATOM 1039 O GLY A 76 8.511 38.545 -8.939 1.00 0.00 O ATOM 0 H GLY A 76 7.029 35.344 -8.366 1.00 0.00 H new ATOM 0 HA2 GLY A 76 8.957 36.052 -10.132 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.545 36.915 -10.707 1.00 0.00 H new TER 1043 GLY A 76 HETATM 1044 ZN ZN A 201 -8.467 -10.620 11.830 1.00 0.00 ZN HETATM 1045 ZN ZN A 401 -9.100 7.697 9.999 1.00 0.00 ZN