USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 494 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 166:sc= -0.0279 (180deg=-0.214) USER MOD Single : A 6 SER OG : rot 14:sc= 0.818 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 160:sc= -0.518 (180deg=-1.83!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 130:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -4.61! C(o=-4.6!,f=-10!) USER MOD Single : A 32 ASN : amide:sc= -0.255 X(o=-0.25,f=-0.19) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.0149 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -143:sc= 0.504 (180deg=-1.98!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.420 -0.170 -10.040 1.00 53.24 N ATOM 2 CA MET A 1 -0.810 -1.332 -10.830 1.00 53.15 C ATOM 3 C MET A 1 0.417 -2.064 -11.364 1.00 4.35 C ATOM 4 O MET A 1 0.351 -2.740 -12.390 1.00 44.44 O ATOM 5 CB MET A 1 -1.710 -0.907 -11.993 1.00 5.42 C ATOM 6 CG MET A 1 -3.026 -1.664 -12.051 1.00 60.34 C ATOM 7 SD MET A 1 -4.407 -0.620 -12.555 1.00 43.12 S ATOM 8 CE MET A 1 -4.047 -0.399 -14.296 1.00 3.12 C ATOM 0 H1 MET A 1 -1.248 0.440 -9.888 1.00 53.24 H new ATOM 0 H2 MET A 1 -0.048 -0.484 -9.121 1.00 53.24 H new ATOM 0 H3 MET A 1 0.315 0.364 -10.547 1.00 53.24 H new ATOM 0 HA MET A 1 -1.363 -2.011 -10.181 1.00 53.15 H new ATOM 0 HB2 MET A 1 -1.917 0.160 -11.910 1.00 5.42 H new ATOM 0 HB3 MET A 1 -1.173 -1.055 -12.930 1.00 5.42 H new ATOM 0 HG2 MET A 1 -2.931 -2.496 -12.749 1.00 60.34 H new ATOM 0 HG3 MET A 1 -3.238 -2.092 -11.071 1.00 60.34 H new ATOM 0 HE1 MET A 1 -4.815 0.227 -14.750 1.00 3.12 H new ATOM 0 HE2 MET A 1 -3.075 0.080 -14.408 1.00 3.12 H new ATOM 0 HE3 MET A 1 -4.032 -1.370 -14.791 1.00 3.12 H new ATOM 18 N ASP A 2 1.536 -1.924 -10.660 1.00 35.10 N ATOM 19 CA ASP A 2 2.778 -2.573 -11.062 1.00 41.34 C ATOM 20 C ASP A 2 3.333 -3.434 -9.932 1.00 14.33 C ATOM 21 O ASP A 2 2.804 -3.430 -8.820 1.00 32.44 O ATOM 22 CB ASP A 2 3.813 -1.526 -11.478 1.00 62.30 C ATOM 23 CG ASP A 2 3.218 -0.437 -12.349 1.00 21.15 C ATOM 24 OD1 ASP A 2 2.313 -0.747 -13.151 1.00 71.15 O ATOM 25 OD2 ASP A 2 3.657 0.725 -12.226 1.00 52.53 O ATOM 0 H ASP A 2 1.608 -1.367 -9.809 1.00 35.10 H new ATOM 0 HA ASP A 2 2.563 -3.219 -11.913 1.00 41.34 H new ATOM 0 HB2 ASP A 2 4.249 -1.076 -10.586 1.00 62.30 H new ATOM 0 HB3 ASP A 2 4.624 -2.016 -12.017 1.00 62.30 H new ATOM 30 N ILE A 3 4.399 -4.170 -10.224 1.00 62.01 N ATOM 31 CA ILE A 3 5.025 -5.036 -9.232 1.00 13.50 C ATOM 32 C ILE A 3 5.937 -4.240 -8.305 1.00 44.53 C ATOM 33 O ILE A 3 6.314 -3.108 -8.610 1.00 51.31 O ATOM 34 CB ILE A 3 5.842 -6.158 -9.899 1.00 14.20 C ATOM 35 CG1 ILE A 3 5.142 -6.641 -11.171 1.00 51.21 C ATOM 36 CG2 ILE A 3 6.046 -7.312 -8.929 1.00 72.34 C ATOM 37 CD1 ILE A 3 5.725 -6.058 -12.440 1.00 32.34 C ATOM 0 H ILE A 3 4.848 -4.184 -11.140 1.00 62.01 H new ATOM 0 HA ILE A 3 4.219 -5.482 -8.649 1.00 13.50 H new ATOM 0 HB ILE A 3 6.820 -5.762 -10.173 1.00 14.20 H new ATOM 0 HG12 ILE A 3 5.203 -7.728 -11.219 1.00 51.21 H new ATOM 0 HG13 ILE A 3 4.085 -6.383 -11.114 1.00 51.21 H new ATOM 0 HG21 ILE A 3 6.625 -8.097 -9.415 1.00 72.34 H new ATOM 0 HG22 ILE A 3 6.582 -6.957 -8.049 1.00 72.34 H new ATOM 0 HG23 ILE A 3 5.077 -7.709 -8.627 1.00 72.34 H new ATOM 0 HD11 ILE A 3 5.180 -6.444 -13.302 1.00 32.34 H new ATOM 0 HD12 ILE A 3 5.640 -4.972 -12.414 1.00 32.34 H new ATOM 0 HD13 ILE A 3 6.775 -6.338 -12.520 1.00 32.34 H new ATOM 49 N ASP A 4 6.291 -4.839 -7.174 1.00 31.30 N ATOM 50 CA ASP A 4 7.163 -4.188 -6.203 1.00 54.12 C ATOM 51 C ASP A 4 8.630 -4.412 -6.554 1.00 61.11 C ATOM 52 O ASP A 4 9.524 -3.848 -5.923 1.00 15.54 O ATOM 53 CB ASP A 4 6.876 -4.713 -4.796 1.00 11.25 C ATOM 54 CG ASP A 4 7.418 -3.798 -3.715 1.00 11.11 C ATOM 55 OD1 ASP A 4 7.651 -2.606 -4.008 1.00 31.22 O ATOM 56 OD2 ASP A 4 7.608 -4.273 -2.576 1.00 62.32 O ATOM 0 H ASP A 4 5.987 -5.775 -6.906 1.00 31.30 H new ATOM 0 HA ASP A 4 6.961 -3.117 -6.231 1.00 54.12 H new ATOM 0 HB2 ASP A 4 5.800 -4.826 -4.666 1.00 11.25 H new ATOM 0 HB3 ASP A 4 7.317 -5.704 -4.684 1.00 11.25 H new ATOM 61 N PHE A 5 8.872 -5.241 -7.565 1.00 14.24 N ATOM 62 CA PHE A 5 10.231 -5.542 -7.998 1.00 50.33 C ATOM 63 C PHE A 5 10.729 -4.495 -8.991 1.00 62.52 C ATOM 64 O PHE A 5 11.919 -4.184 -9.036 1.00 62.25 O ATOM 65 CB PHE A 5 10.290 -6.933 -8.633 1.00 43.42 C ATOM 66 CG PHE A 5 11.670 -7.333 -9.071 1.00 21.42 C ATOM 67 CD1 PHE A 5 12.592 -7.809 -8.152 1.00 73.43 C ATOM 68 CD2 PHE A 5 12.046 -7.234 -10.401 1.00 14.51 C ATOM 69 CE1 PHE A 5 13.862 -8.180 -8.552 1.00 1.52 C ATOM 70 CE2 PHE A 5 13.314 -7.602 -10.806 1.00 63.42 C ATOM 71 CZ PHE A 5 14.224 -8.075 -9.880 1.00 41.25 C ATOM 0 H PHE A 5 8.144 -5.716 -8.099 1.00 14.24 H new ATOM 0 HA PHE A 5 10.878 -5.523 -7.121 1.00 50.33 H new ATOM 0 HB2 PHE A 5 9.917 -7.666 -7.918 1.00 43.42 H new ATOM 0 HB3 PHE A 5 9.622 -6.959 -9.494 1.00 43.42 H new ATOM 0 HD1 PHE A 5 12.315 -7.891 -7.111 1.00 73.43 H new ATOM 0 HD2 PHE A 5 11.339 -6.865 -11.129 1.00 14.51 H new ATOM 0 HE1 PHE A 5 14.570 -8.552 -7.826 1.00 1.52 H new ATOM 0 HE2 PHE A 5 13.594 -7.520 -11.846 1.00 63.42 H new ATOM 0 HZ PHE A 5 15.217 -8.362 -10.195 1.00 41.25 H new ATOM 81 N SER A 6 9.809 -3.957 -9.785 1.00 45.15 N ATOM 82 CA SER A 6 10.155 -2.949 -10.781 1.00 52.00 C ATOM 83 C SER A 6 9.739 -1.558 -10.312 1.00 43.24 C ATOM 84 O SER A 6 8.560 -1.296 -10.072 1.00 61.42 O ATOM 85 CB SER A 6 9.484 -3.271 -12.118 1.00 14.14 C ATOM 86 OG SER A 6 8.083 -3.068 -12.047 1.00 10.41 O ATOM 0 H SER A 6 8.819 -4.202 -9.758 1.00 45.15 H new ATOM 0 HA SER A 6 11.237 -2.961 -10.914 1.00 52.00 H new ATOM 0 HB2 SER A 6 9.907 -2.642 -12.901 1.00 14.14 H new ATOM 0 HB3 SER A 6 9.691 -4.305 -12.393 1.00 14.14 H new ATOM 0 HG SER A 6 7.866 -2.563 -11.235 1.00 10.41 H new ATOM 92 N THR A 7 10.718 -0.667 -10.184 1.00 14.40 N ATOM 93 CA THR A 7 10.456 0.698 -9.743 1.00 73.41 C ATOM 94 C THR A 7 11.415 1.682 -10.402 1.00 23.02 C ATOM 95 O THR A 7 11.553 2.822 -9.957 1.00 44.04 O ATOM 96 CB THR A 7 10.576 0.826 -8.213 1.00 3.41 C ATOM 97 OG1 THR A 7 11.348 -0.260 -7.689 1.00 43.12 O ATOM 98 CG2 THR A 7 9.202 0.839 -7.561 1.00 10.30 C ATOM 0 H THR A 7 11.699 -0.866 -10.379 1.00 14.40 H new ATOM 0 HA THR A 7 9.435 0.937 -10.041 1.00 73.41 H new ATOM 0 HB THR A 7 11.076 1.768 -7.988 1.00 3.41 H new ATOM 0 HG1 THR A 7 11.421 -0.170 -6.716 1.00 43.12 H new ATOM 0 HG21 THR A 7 9.313 0.930 -6.480 1.00 10.30 H new ATOM 0 HG22 THR A 7 8.628 1.685 -7.939 1.00 10.30 H new ATOM 0 HG23 THR A 7 8.679 -0.088 -7.795 1.00 10.30 H new ATOM 106 N CYS A 8 12.077 1.235 -11.464 1.00 55.44 N ATOM 107 CA CYS A 8 13.024 2.077 -12.186 1.00 33.15 C ATOM 108 C CYS A 8 12.845 1.929 -13.694 1.00 34.43 C ATOM 109 O CYS A 8 12.326 0.920 -14.171 1.00 63.22 O ATOM 110 CB CYS A 8 14.458 1.718 -11.794 1.00 23.35 C ATOM 111 SG CYS A 8 15.675 3.027 -12.146 1.00 64.40 S ATOM 0 H CYS A 8 11.975 0.294 -11.844 1.00 55.44 H new ATOM 0 HA CYS A 8 12.829 3.115 -11.915 1.00 33.15 H new ATOM 0 HB2 CYS A 8 14.485 1.488 -10.729 1.00 23.35 H new ATOM 0 HB3 CYS A 8 14.752 0.812 -12.323 1.00 23.35 H new ATOM 116 N ALA A 9 13.277 2.941 -14.438 1.00 5.02 N ATOM 117 CA ALA A 9 13.167 2.923 -15.891 1.00 64.31 C ATOM 118 C ALA A 9 14.131 1.911 -16.502 1.00 34.40 C ATOM 119 O ALA A 9 14.058 1.611 -17.694 1.00 14.21 O ATOM 120 CB ALA A 9 13.428 4.311 -16.458 1.00 32.43 C ATOM 0 H ALA A 9 13.707 3.784 -14.058 1.00 5.02 H new ATOM 0 HA ALA A 9 12.152 2.622 -16.150 1.00 64.31 H new ATOM 0 HB1 ALA A 9 13.342 4.282 -17.544 1.00 32.43 H new ATOM 0 HB2 ALA A 9 12.697 5.012 -16.055 1.00 32.43 H new ATOM 0 HB3 ALA A 9 14.432 4.634 -16.182 1.00 32.43 H new ATOM 126 N ARG A 10 15.033 1.387 -15.678 1.00 52.52 N ATOM 127 CA ARG A 10 16.012 0.410 -16.139 1.00 11.25 C ATOM 128 C ARG A 10 15.495 -1.012 -15.941 1.00 52.24 C ATOM 129 O ARG A 10 16.276 -1.955 -15.819 1.00 75.11 O ATOM 130 CB ARG A 10 17.335 0.591 -15.392 1.00 13.42 C ATOM 131 CG ARG A 10 17.839 2.025 -15.385 1.00 52.30 C ATOM 132 CD ARG A 10 18.126 2.522 -16.793 1.00 60.55 C ATOM 133 NE ARG A 10 19.468 3.087 -16.912 1.00 35.42 N ATOM 134 CZ ARG A 10 20.566 2.351 -17.044 1.00 53.03 C ATOM 135 NH1 ARG A 10 20.482 1.028 -17.076 1.00 12.22 N ATOM 136 NH2 ARG A 10 21.751 2.939 -17.146 1.00 70.33 N ATOM 0 H ARG A 10 15.106 1.623 -14.688 1.00 52.52 H new ATOM 0 HA ARG A 10 16.178 0.573 -17.204 1.00 11.25 H new ATOM 0 HB2 ARG A 10 17.211 0.253 -14.363 1.00 13.42 H new ATOM 0 HB3 ARG A 10 18.091 -0.049 -15.848 1.00 13.42 H new ATOM 0 HG2 ARG A 10 17.097 2.670 -14.915 1.00 52.30 H new ATOM 0 HG3 ARG A 10 18.745 2.090 -14.783 1.00 52.30 H new ATOM 0 HD2 ARG A 10 18.016 1.698 -17.498 1.00 60.55 H new ATOM 0 HD3 ARG A 10 17.389 3.277 -17.068 1.00 60.55 H new ATOM 0 HE ARG A 10 19.567 4.102 -16.893 1.00 35.42 H new ATOM 0 HH11 ARG A 10 19.572 0.573 -16.999 1.00 12.22 H new ATOM 0 HH12 ARG A 10 21.327 0.466 -17.177 1.00 12.22 H new ATOM 0 HH21 ARG A 10 21.819 3.956 -17.123 1.00 70.33 H new ATOM 0 HH22 ARG A 10 22.594 2.374 -17.247 1.00 70.33 H new ATOM 150 N MET A 11 14.174 -1.157 -15.911 1.00 41.30 N ATOM 151 CA MET A 11 13.553 -2.464 -15.729 1.00 41.33 C ATOM 152 C MET A 11 13.136 -3.059 -17.071 1.00 10.54 C ATOM 153 O MET A 11 13.417 -2.491 -18.126 1.00 55.43 O ATOM 154 CB MET A 11 12.337 -2.351 -14.808 1.00 51.41 C ATOM 155 CG MET A 11 12.556 -2.963 -13.434 1.00 61.33 C ATOM 156 SD MET A 11 12.257 -4.741 -13.411 1.00 72.20 S ATOM 157 CE MET A 11 13.880 -5.364 -13.844 1.00 55.52 C ATOM 0 H MET A 11 13.513 -0.386 -16.010 1.00 41.30 H new ATOM 0 HA MET A 11 14.287 -3.127 -15.270 1.00 41.33 H new ATOM 0 HB2 MET A 11 12.077 -1.299 -14.691 1.00 51.41 H new ATOM 0 HB3 MET A 11 11.486 -2.839 -15.282 1.00 51.41 H new ATOM 0 HG2 MET A 11 13.578 -2.766 -13.111 1.00 61.33 H new ATOM 0 HG3 MET A 11 11.896 -2.478 -12.715 1.00 61.33 H new ATOM 0 HE1 MET A 11 13.965 -6.406 -13.534 1.00 55.52 H new ATOM 0 HE2 MET A 11 14.021 -5.294 -14.923 1.00 55.52 H new ATOM 0 HE3 MET A 11 14.644 -4.772 -13.339 1.00 55.52 H new ATOM 167 N ASP A 12 12.466 -4.204 -17.022 1.00 34.34 N ATOM 168 CA ASP A 12 12.009 -4.876 -18.233 1.00 43.41 C ATOM 169 C ASP A 12 10.925 -4.060 -18.931 1.00 5.10 C ATOM 170 O ASP A 12 10.633 -4.274 -20.107 1.00 71.44 O ATOM 171 CB ASP A 12 11.480 -6.271 -17.900 1.00 35.22 C ATOM 172 CG ASP A 12 12.021 -7.335 -18.835 1.00 3.34 C ATOM 173 OD1 ASP A 12 13.014 -7.998 -18.468 1.00 1.24 O ATOM 174 OD2 ASP A 12 11.452 -7.504 -19.933 1.00 21.42 O ATOM 0 H ASP A 12 12.227 -4.687 -16.156 1.00 34.34 H new ATOM 0 HA ASP A 12 12.859 -4.971 -18.909 1.00 43.41 H new ATOM 0 HB2 ASP A 12 11.749 -6.523 -16.874 1.00 35.22 H new ATOM 0 HB3 ASP A 12 10.391 -6.265 -17.952 1.00 35.22 H new ATOM 179 N VAL A 13 10.332 -3.124 -18.197 1.00 53.23 N ATOM 180 CA VAL A 13 9.280 -2.276 -18.745 1.00 41.44 C ATOM 181 C VAL A 13 9.747 -0.829 -18.864 1.00 74.10 C ATOM 182 O VAL A 13 9.404 0.028 -18.050 1.00 3.44 O ATOM 183 CB VAL A 13 8.010 -2.324 -17.876 1.00 33.21 C ATOM 184 CG1 VAL A 13 7.235 -3.607 -18.134 1.00 34.32 C ATOM 185 CG2 VAL A 13 8.367 -2.195 -16.403 1.00 44.51 C ATOM 0 H VAL A 13 10.562 -2.934 -17.222 1.00 53.23 H new ATOM 0 HA VAL A 13 9.047 -2.663 -19.737 1.00 41.44 H new ATOM 0 HB VAL A 13 7.373 -1.482 -18.147 1.00 33.21 H new ATOM 0 HG11 VAL A 13 6.341 -3.623 -17.511 1.00 34.32 H new ATOM 0 HG12 VAL A 13 6.947 -3.653 -19.184 1.00 34.32 H new ATOM 0 HG13 VAL A 13 7.862 -4.465 -17.892 1.00 34.32 H new ATOM 0 HG21 VAL A 13 7.457 -2.231 -15.804 1.00 44.51 H new ATOM 0 HG22 VAL A 13 9.024 -3.015 -16.115 1.00 44.51 H new ATOM 0 HG23 VAL A 13 8.876 -1.246 -16.234 1.00 44.51 H new ATOM 195 N PRO A 14 10.547 -0.549 -19.903 1.00 41.11 N ATOM 196 CA PRO A 14 11.077 0.794 -20.154 1.00 45.51 C ATOM 197 C PRO A 14 9.995 1.771 -20.599 1.00 55.40 C ATOM 198 O PRO A 14 10.236 2.974 -20.705 1.00 2.24 O ATOM 199 CB PRO A 14 12.091 0.571 -21.279 1.00 41.12 C ATOM 200 CG PRO A 14 11.620 -0.659 -21.975 1.00 31.01 C ATOM 201 CD PRO A 14 10.996 -1.522 -20.913 1.00 53.13 C ATOM 0 HA PRO A 14 11.507 1.236 -19.255 1.00 45.51 H new ATOM 0 HB2 PRO A 14 12.122 1.423 -21.958 1.00 41.12 H new ATOM 0 HB3 PRO A 14 13.099 0.441 -20.884 1.00 41.12 H new ATOM 0 HG2 PRO A 14 10.897 -0.414 -22.754 1.00 31.01 H new ATOM 0 HG3 PRO A 14 12.449 -1.175 -22.460 1.00 31.01 H new ATOM 0 HD2 PRO A 14 10.164 -2.105 -21.307 1.00 53.13 H new ATOM 0 HD3 PRO A 14 11.713 -2.230 -20.498 1.00 53.13 H new ATOM 209 N ILE A 15 8.801 1.247 -20.858 1.00 4.21 N ATOM 210 CA ILE A 15 7.682 2.074 -21.290 1.00 15.32 C ATOM 211 C ILE A 15 7.482 3.261 -20.354 1.00 11.52 C ATOM 212 O ILE A 15 7.094 3.096 -19.197 1.00 33.54 O ATOM 213 CB ILE A 15 6.375 1.262 -21.356 1.00 53.15 C ATOM 214 CG1 ILE A 15 6.578 -0.006 -22.188 1.00 44.24 C ATOM 215 CG2 ILE A 15 5.253 2.110 -21.939 1.00 25.32 C ATOM 216 CD1 ILE A 15 6.611 -1.272 -21.362 1.00 24.13 C ATOM 0 H ILE A 15 8.585 0.254 -20.776 1.00 4.21 H new ATOM 0 HA ILE A 15 7.926 2.438 -22.288 1.00 15.32 H new ATOM 0 HB ILE A 15 6.095 0.969 -20.344 1.00 53.15 H new ATOM 0 HG12 ILE A 15 5.776 -0.082 -22.922 1.00 44.24 H new ATOM 0 HG13 ILE A 15 7.512 0.080 -22.744 1.00 44.24 H new ATOM 0 HG21 ILE A 15 4.336 1.522 -21.979 1.00 25.32 H new ATOM 0 HG22 ILE A 15 5.095 2.986 -21.310 1.00 25.32 H new ATOM 0 HG23 ILE A 15 5.524 2.429 -22.945 1.00 25.32 H new ATOM 0 HD11 ILE A 15 6.758 -2.130 -22.018 1.00 24.13 H new ATOM 0 HD12 ILE A 15 7.431 -1.218 -20.646 1.00 24.13 H new ATOM 0 HD13 ILE A 15 5.668 -1.382 -20.826 1.00 24.13 H new ATOM 228 N LEU A 16 7.748 4.460 -20.862 1.00 71.41 N ATOM 229 CA LEU A 16 7.596 5.677 -20.072 1.00 73.34 C ATOM 230 C LEU A 16 8.565 5.686 -18.894 1.00 54.24 C ATOM 231 O LEU A 16 8.183 5.397 -17.760 1.00 61.11 O ATOM 232 CB LEU A 16 6.158 5.803 -19.566 1.00 11.11 C ATOM 233 CG LEU A 16 5.058 5.561 -20.600 1.00 41.13 C ATOM 234 CD1 LEU A 16 4.087 4.500 -20.108 1.00 74.41 C ATOM 235 CD2 LEU A 16 4.323 6.857 -20.910 1.00 60.14 C ATOM 0 H LEU A 16 8.070 4.615 -21.817 1.00 71.41 H new ATOM 0 HA LEU A 16 7.825 6.528 -20.713 1.00 73.34 H new ATOM 0 HB2 LEU A 16 6.020 5.098 -18.746 1.00 11.11 H new ATOM 0 HB3 LEU A 16 6.026 6.803 -19.152 1.00 11.11 H new ATOM 0 HG LEU A 16 5.522 5.201 -21.518 1.00 41.13 H new ATOM 0 HD11 LEU A 16 3.311 4.341 -20.857 1.00 74.41 H new ATOM 0 HD12 LEU A 16 4.624 3.567 -19.938 1.00 74.41 H new ATOM 0 HD13 LEU A 16 3.629 4.830 -19.176 1.00 74.41 H new ATOM 0 HD21 LEU A 16 3.544 6.666 -21.648 1.00 60.14 H new ATOM 0 HD22 LEU A 16 3.871 7.246 -19.998 1.00 60.14 H new ATOM 0 HD23 LEU A 16 5.027 7.588 -21.307 1.00 60.14 H new ATOM 247 N LYS A 17 9.820 6.023 -19.170 1.00 60.33 N ATOM 248 CA LYS A 17 10.844 6.074 -18.134 1.00 4.01 C ATOM 249 C LYS A 17 10.436 7.023 -17.012 1.00 33.35 C ATOM 250 O LYS A 17 10.674 6.749 -15.835 1.00 61.31 O ATOM 251 CB LYS A 17 12.181 6.519 -18.731 1.00 3.30 C ATOM 252 CG LYS A 17 12.594 5.725 -19.958 1.00 51.22 C ATOM 253 CD LYS A 17 14.038 5.262 -19.863 1.00 40.22 C ATOM 254 CE LYS A 17 14.341 4.171 -20.878 1.00 64.13 C ATOM 255 NZ LYS A 17 15.531 4.502 -21.710 1.00 43.41 N ATOM 0 H LYS A 17 10.153 6.265 -20.103 1.00 60.33 H new ATOM 0 HA LYS A 17 10.954 5.073 -17.718 1.00 4.01 H new ATOM 0 HB2 LYS A 17 12.118 7.574 -18.996 1.00 3.30 H new ATOM 0 HB3 LYS A 17 12.957 6.427 -17.971 1.00 3.30 H new ATOM 0 HG2 LYS A 17 11.940 4.860 -20.070 1.00 51.22 H new ATOM 0 HG3 LYS A 17 12.466 6.339 -20.850 1.00 51.22 H new ATOM 0 HD2 LYS A 17 14.704 6.109 -20.028 1.00 40.22 H new ATOM 0 HD3 LYS A 17 14.237 4.891 -18.858 1.00 40.22 H new ATOM 0 HE2 LYS A 17 14.512 3.229 -20.358 1.00 64.13 H new ATOM 0 HE3 LYS A 17 13.475 4.026 -21.524 1.00 64.13 H new ATOM 0 HZ1 LYS A 17 15.704 3.734 -22.389 1.00 43.41 H new ATOM 0 HZ2 LYS A 17 15.358 5.388 -22.226 1.00 43.41 H new ATOM 0 HZ3 LYS A 17 16.363 4.616 -21.096 1.00 43.41 H new ATOM 269 N LYS A 18 9.818 8.139 -17.382 1.00 75.12 N ATOM 270 CA LYS A 18 9.373 9.128 -16.407 1.00 74.43 C ATOM 271 C LYS A 18 8.455 8.492 -15.368 1.00 31.12 C ATOM 272 O LYS A 18 8.497 8.846 -14.190 1.00 54.10 O ATOM 273 CB LYS A 18 8.646 10.276 -17.110 1.00 52.24 C ATOM 274 CG LYS A 18 8.865 11.628 -16.453 1.00 65.22 C ATOM 275 CD LYS A 18 8.939 12.743 -17.483 1.00 15.14 C ATOM 276 CE LYS A 18 10.151 13.633 -17.255 1.00 61.24 C ATOM 277 NZ LYS A 18 10.148 14.816 -18.160 1.00 22.04 N ATOM 0 H LYS A 18 9.614 8.382 -18.351 1.00 75.12 H new ATOM 0 HA LYS A 18 10.253 9.521 -15.898 1.00 74.43 H new ATOM 0 HB2 LYS A 18 8.981 10.327 -18.146 1.00 52.24 H new ATOM 0 HB3 LYS A 18 7.578 10.060 -17.130 1.00 52.24 H new ATOM 0 HG2 LYS A 18 8.053 11.830 -15.755 1.00 65.22 H new ATOM 0 HG3 LYS A 18 9.787 11.606 -15.872 1.00 65.22 H new ATOM 0 HD2 LYS A 18 8.985 12.313 -18.484 1.00 15.14 H new ATOM 0 HD3 LYS A 18 8.031 13.344 -17.436 1.00 15.14 H new ATOM 0 HE2 LYS A 18 10.165 13.969 -16.218 1.00 61.24 H new ATOM 0 HE3 LYS A 18 11.061 13.055 -17.415 1.00 61.24 H new ATOM 0 HZ1 LYS A 18 10.990 15.398 -17.974 1.00 22.04 H new ATOM 0 HZ2 LYS A 18 10.160 14.496 -19.150 1.00 22.04 H new ATOM 0 HZ3 LYS A 18 9.292 15.381 -17.989 1.00 22.04 H new ATOM 291 N ALA A 19 7.628 7.551 -15.812 1.00 22.35 N ATOM 292 CA ALA A 19 6.703 6.864 -14.919 1.00 23.53 C ATOM 293 C ALA A 19 7.455 6.052 -13.869 1.00 14.13 C ATOM 294 O ALA A 19 7.108 6.074 -12.688 1.00 53.53 O ATOM 295 CB ALA A 19 5.770 5.964 -15.716 1.00 25.11 C ATOM 0 H ALA A 19 7.580 7.247 -16.784 1.00 22.35 H new ATOM 0 HA ALA A 19 6.109 7.617 -14.402 1.00 23.53 H new ATOM 0 HB1 ALA A 19 5.085 5.457 -15.036 1.00 25.11 H new ATOM 0 HB2 ALA A 19 5.200 6.566 -16.424 1.00 25.11 H new ATOM 0 HB3 ALA A 19 6.356 5.223 -16.260 1.00 25.11 H new ATOM 301 N ALA A 20 8.485 5.336 -14.307 1.00 33.32 N ATOM 302 CA ALA A 20 9.286 4.518 -13.404 1.00 55.10 C ATOM 303 C ALA A 20 9.954 5.375 -12.335 1.00 4.22 C ATOM 304 O ALA A 20 9.930 5.037 -11.152 1.00 3.33 O ATOM 305 CB ALA A 20 10.330 3.737 -14.187 1.00 24.44 C ATOM 0 H ALA A 20 8.785 5.306 -15.282 1.00 33.32 H new ATOM 0 HA ALA A 20 8.621 3.814 -12.904 1.00 55.10 H new ATOM 0 HB1 ALA A 20 10.921 3.131 -13.501 1.00 24.44 H new ATOM 0 HB2 ALA A 20 9.834 3.089 -14.909 1.00 24.44 H new ATOM 0 HB3 ALA A 20 10.985 4.431 -14.713 1.00 24.44 H new ATOM 311 N GLN A 21 10.551 6.484 -12.760 1.00 12.44 N ATOM 312 CA GLN A 21 11.228 7.389 -11.837 1.00 75.52 C ATOM 313 C GLN A 21 10.239 7.996 -10.847 1.00 42.55 C ATOM 314 O GLN A 21 10.595 8.307 -9.711 1.00 53.14 O ATOM 315 CB GLN A 21 11.942 8.499 -12.610 1.00 72.30 C ATOM 316 CG GLN A 21 13.446 8.302 -12.706 1.00 2.41 C ATOM 317 CD GLN A 21 14.079 9.157 -13.786 1.00 54.24 C ATOM 318 OE1 GLN A 21 14.009 10.386 -13.742 1.00 63.11 O ATOM 319 NE2 GLN A 21 14.700 8.510 -14.765 1.00 45.31 N ATOM 0 H GLN A 21 10.580 6.778 -13.736 1.00 12.44 H new ATOM 0 HA GLN A 21 11.966 6.813 -11.278 1.00 75.52 H new ATOM 0 HB2 GLN A 21 11.526 8.555 -13.616 1.00 72.30 H new ATOM 0 HB3 GLN A 21 11.739 9.455 -12.127 1.00 72.30 H new ATOM 0 HG2 GLN A 21 13.902 8.541 -11.745 1.00 2.41 H new ATOM 0 HG3 GLN A 21 13.659 7.252 -12.908 1.00 2.41 H new ATOM 0 HE21 GLN A 21 14.734 7.491 -14.762 1.00 45.31 H new ATOM 0 HE22 GLN A 21 15.143 9.032 -15.521 1.00 45.31 H new ATOM 328 N GLY A 22 8.996 8.164 -11.287 1.00 73.04 N ATOM 329 CA GLY A 22 7.975 8.735 -10.428 1.00 22.32 C ATOM 330 C GLY A 22 7.829 7.980 -9.122 1.00 32.24 C ATOM 331 O GLY A 22 7.452 8.557 -8.101 1.00 12.21 O ATOM 0 H GLY A 22 8.678 7.915 -12.223 1.00 73.04 H new ATOM 0 HA2 GLY A 22 8.222 9.776 -10.217 1.00 22.32 H new ATOM 0 HA3 GLY A 22 7.020 8.734 -10.954 1.00 22.32 H new ATOM 335 N LEU A 23 8.126 6.685 -9.152 1.00 14.31 N ATOM 336 CA LEU A 23 8.023 5.849 -7.961 1.00 65.21 C ATOM 337 C LEU A 23 9.156 6.151 -6.985 1.00 31.22 C ATOM 338 O LEU A 23 9.280 5.507 -5.943 1.00 32.24 O ATOM 339 CB LEU A 23 8.050 4.369 -8.349 1.00 43.42 C ATOM 340 CG LEU A 23 7.068 3.944 -9.442 1.00 5.25 C ATOM 341 CD1 LEU A 23 7.001 2.428 -9.538 1.00 32.14 C ATOM 342 CD2 LEU A 23 5.688 4.526 -9.174 1.00 31.44 C ATOM 0 H LEU A 23 8.440 6.192 -9.988 1.00 14.31 H new ATOM 0 HA LEU A 23 7.076 6.073 -7.470 1.00 65.21 H new ATOM 0 HB2 LEU A 23 9.059 4.118 -8.677 1.00 43.42 H new ATOM 0 HB3 LEU A 23 7.848 3.776 -7.457 1.00 43.42 H new ATOM 0 HG LEU A 23 7.424 4.332 -10.396 1.00 5.25 H new ATOM 0 HD11 LEU A 23 6.298 2.144 -10.321 1.00 32.14 H new ATOM 0 HD12 LEU A 23 7.989 2.035 -9.778 1.00 32.14 H new ATOM 0 HD13 LEU A 23 6.668 2.017 -8.585 1.00 32.14 H new ATOM 0 HD21 LEU A 23 5.002 4.213 -9.961 1.00 31.44 H new ATOM 0 HD22 LEU A 23 5.323 4.168 -8.211 1.00 31.44 H new ATOM 0 HD23 LEU A 23 5.749 5.614 -9.157 1.00 31.44 H new ATOM 354 N CYS A 24 9.979 7.136 -7.328 1.00 61.20 N ATOM 355 CA CYS A 24 11.101 7.526 -6.482 1.00 74.40 C ATOM 356 C CYS A 24 10.989 8.991 -6.072 1.00 11.22 C ATOM 357 O CYS A 24 11.057 9.322 -4.888 1.00 23.44 O ATOM 358 CB CYS A 24 12.424 7.288 -7.212 1.00 51.43 C ATOM 359 SG CYS A 24 13.542 6.126 -6.366 1.00 3.01 S ATOM 0 H CYS A 24 9.890 7.679 -8.187 1.00 61.20 H new ATOM 0 HA CYS A 24 11.076 6.912 -5.582 1.00 74.40 H new ATOM 0 HB2 CYS A 24 12.212 6.909 -8.212 1.00 51.43 H new ATOM 0 HB3 CYS A 24 12.935 8.243 -7.335 1.00 51.43 H new ATOM 364 N ILE A 25 10.817 9.864 -7.058 1.00 55.34 N ATOM 365 CA ILE A 25 10.694 11.294 -6.800 1.00 71.41 C ATOM 366 C ILE A 25 9.416 11.605 -6.029 1.00 55.45 C ATOM 367 O ILE A 25 9.435 12.343 -5.043 1.00 63.14 O ATOM 368 CB ILE A 25 10.702 12.105 -8.109 1.00 73.01 C ATOM 369 CG1 ILE A 25 12.003 11.863 -8.877 1.00 10.32 C ATOM 370 CG2 ILE A 25 10.521 13.587 -7.815 1.00 22.31 C ATOM 371 CD1 ILE A 25 11.888 10.792 -9.939 1.00 1.14 C ATOM 0 H ILE A 25 10.760 9.607 -8.043 1.00 55.34 H new ATOM 0 HA ILE A 25 11.557 11.582 -6.199 1.00 71.41 H new ATOM 0 HB ILE A 25 9.869 11.774 -8.730 1.00 73.01 H new ATOM 0 HG12 ILE A 25 12.318 12.796 -9.346 1.00 10.32 H new ATOM 0 HG13 ILE A 25 12.785 11.581 -8.172 1.00 10.32 H new ATOM 0 HG21 ILE A 25 10.529 14.147 -8.750 1.00 22.31 H new ATOM 0 HG22 ILE A 25 9.570 13.743 -7.306 1.00 22.31 H new ATOM 0 HG23 ILE A 25 11.335 13.934 -7.178 1.00 22.31 H new ATOM 0 HD11 ILE A 25 12.848 10.674 -10.443 1.00 1.14 H new ATOM 0 HD12 ILE A 25 11.604 9.848 -9.474 1.00 1.14 H new ATOM 0 HD13 ILE A 25 11.130 11.081 -10.667 1.00 1.14 H new ATOM 383 N THR A 26 8.303 11.037 -6.485 1.00 1.05 N ATOM 384 CA THR A 26 7.015 11.253 -5.838 1.00 51.12 C ATOM 385 C THR A 26 6.906 10.449 -4.548 1.00 15.34 C ATOM 386 O THR A 26 6.334 10.915 -3.562 1.00 25.04 O ATOM 387 CB THR A 26 5.848 10.870 -6.768 1.00 44.35 C ATOM 388 OG1 THR A 26 5.125 12.044 -7.156 1.00 21.13 O ATOM 389 CG2 THR A 26 4.907 9.892 -6.082 1.00 3.02 C ATOM 0 H THR A 26 8.268 10.424 -7.300 1.00 1.05 H new ATOM 0 HA THR A 26 6.952 12.316 -5.607 1.00 51.12 H new ATOM 0 HB THR A 26 6.262 10.389 -7.654 1.00 44.35 H new ATOM 0 HG1 THR A 26 4.386 11.792 -7.748 1.00 21.13 H new ATOM 0 HG21 THR A 26 4.091 9.637 -6.758 1.00 3.02 H new ATOM 0 HG22 THR A 26 5.454 8.988 -5.815 1.00 3.02 H new ATOM 0 HG23 THR A 26 4.501 10.350 -5.180 1.00 3.02 H new ATOM 397 N SER A 27 7.457 9.240 -4.561 1.00 0.05 N ATOM 398 CA SER A 27 7.419 8.370 -3.391 1.00 75.21 C ATOM 399 C SER A 27 8.115 9.026 -2.203 1.00 32.34 C ATOM 400 O SER A 27 7.754 8.790 -1.049 1.00 51.31 O ATOM 401 CB SER A 27 8.080 7.027 -3.707 1.00 31.35 C ATOM 402 OG SER A 27 7.539 5.991 -2.904 1.00 45.21 O ATOM 0 H SER A 27 7.935 8.840 -5.368 1.00 0.05 H new ATOM 0 HA SER A 27 6.375 8.200 -3.129 1.00 75.21 H new ATOM 0 HB2 SER A 27 7.938 6.787 -4.761 1.00 31.35 H new ATOM 0 HB3 SER A 27 9.155 7.098 -3.539 1.00 31.35 H new ATOM 0 HG SER A 27 7.284 5.235 -3.473 1.00 45.21 H new ATOM 408 N CYS A 28 9.116 9.850 -2.493 1.00 13.32 N ATOM 409 CA CYS A 28 9.865 10.541 -1.450 1.00 53.21 C ATOM 410 C CYS A 28 9.033 11.663 -0.835 1.00 35.30 C ATOM 411 O CYS A 28 9.014 11.840 0.383 1.00 22.41 O ATOM 412 CB CYS A 28 11.166 11.110 -2.020 1.00 12.14 C ATOM 413 SG CYS A 28 12.665 10.554 -1.147 1.00 1.42 S ATOM 0 H CYS A 28 9.428 10.056 -3.442 1.00 13.32 H new ATOM 0 HA CYS A 28 10.103 9.819 -0.669 1.00 53.21 H new ATOM 0 HB2 CYS A 28 11.244 10.828 -3.070 1.00 12.14 H new ATOM 0 HB3 CYS A 28 11.120 12.198 -1.985 1.00 12.14 H new ATOM 418 N SER A 29 8.345 12.417 -1.686 1.00 51.13 N ATOM 419 CA SER A 29 7.513 13.524 -1.228 1.00 24.35 C ATOM 420 C SER A 29 6.486 13.044 -0.206 1.00 45.41 C ATOM 421 O SER A 29 6.102 13.785 0.698 1.00 11.50 O ATOM 422 CB SER A 29 6.803 14.181 -2.412 1.00 72.24 C ATOM 423 OG SER A 29 6.579 15.559 -2.172 1.00 44.44 O ATOM 0 H SER A 29 8.347 12.282 -2.697 1.00 51.13 H new ATOM 0 HA SER A 29 8.160 14.259 -0.750 1.00 24.35 H new ATOM 0 HB2 SER A 29 7.403 14.059 -3.313 1.00 72.24 H new ATOM 0 HB3 SER A 29 5.852 13.681 -2.592 1.00 72.24 H new ATOM 0 HG SER A 29 6.125 15.956 -2.945 1.00 44.44 H new ATOM 429 N MET A 30 6.047 11.800 -0.358 1.00 33.50 N ATOM 430 CA MET A 30 5.065 11.220 0.552 1.00 61.15 C ATOM 431 C MET A 30 5.691 10.927 1.912 1.00 74.15 C ATOM 432 O MET A 30 4.984 10.725 2.898 1.00 33.05 O ATOM 433 CB MET A 30 4.483 9.936 -0.043 1.00 24.23 C ATOM 434 CG MET A 30 4.199 10.030 -1.533 1.00 13.31 C ATOM 435 SD MET A 30 2.590 9.348 -1.977 1.00 50.04 S ATOM 436 CE MET A 30 2.991 7.610 -2.135 1.00 22.55 C ATOM 0 H MET A 30 6.355 11.174 -1.102 1.00 33.50 H new ATOM 0 HA MET A 30 4.262 11.944 0.690 1.00 61.15 H new ATOM 0 HB2 MET A 30 5.178 9.115 0.135 1.00 24.23 H new ATOM 0 HB3 MET A 30 3.559 9.690 0.480 1.00 24.23 H new ATOM 0 HG2 MET A 30 4.245 11.074 -1.843 1.00 13.31 H new ATOM 0 HG3 MET A 30 4.978 9.500 -2.082 1.00 13.31 H new ATOM 0 HE1 MET A 30 2.094 7.053 -2.407 1.00 22.55 H new ATOM 0 HE2 MET A 30 3.748 7.480 -2.909 1.00 22.55 H new ATOM 0 HE3 MET A 30 3.375 7.237 -1.185 1.00 22.55 H new ATOM 446 N GLN A 31 7.019 10.905 1.955 1.00 52.12 N ATOM 447 CA GLN A 31 7.738 10.636 3.194 1.00 31.52 C ATOM 448 C GLN A 31 8.402 11.902 3.725 1.00 63.24 C ATOM 449 O GLN A 31 9.326 11.837 4.534 1.00 30.15 O ATOM 450 CB GLN A 31 8.790 9.548 2.972 1.00 44.03 C ATOM 451 CG GLN A 31 8.430 8.570 1.866 1.00 72.53 C ATOM 452 CD GLN A 31 8.798 7.140 2.208 1.00 24.44 C ATOM 453 OE1 GLN A 31 9.763 6.590 1.676 1.00 41.23 O ATOM 454 NE2 GLN A 31 8.030 6.528 3.102 1.00 23.14 N ATOM 0 H GLN A 31 7.618 11.070 1.146 1.00 52.12 H new ATOM 0 HA GLN A 31 7.017 10.289 3.934 1.00 31.52 H new ATOM 0 HB2 GLN A 31 9.743 10.019 2.733 1.00 44.03 H new ATOM 0 HB3 GLN A 31 8.932 8.996 3.901 1.00 44.03 H new ATOM 0 HG2 GLN A 31 7.360 8.628 1.669 1.00 72.53 H new ATOM 0 HG3 GLN A 31 8.939 8.862 0.948 1.00 72.53 H new ATOM 0 HE21 GLN A 31 7.240 7.021 3.518 1.00 23.14 H new ATOM 0 HE22 GLN A 31 8.230 5.565 3.372 1.00 23.14 H new ATOM 463 N ASN A 32 7.925 13.053 3.261 1.00 24.35 N ATOM 464 CA ASN A 32 8.474 14.335 3.689 1.00 62.42 C ATOM 465 C ASN A 32 9.921 14.487 3.230 1.00 41.14 C ATOM 466 O ASN A 32 10.766 15.003 3.962 1.00 14.05 O ATOM 467 CB ASN A 32 8.394 14.465 5.211 1.00 0.31 C ATOM 468 CG ASN A 32 7.087 13.935 5.769 1.00 42.21 C ATOM 469 OD1 ASN A 32 7.075 13.184 6.744 1.00 10.24 O ATOM 470 ND2 ASN A 32 5.979 14.325 5.150 1.00 33.31 N ATOM 0 H ASN A 32 7.161 13.124 2.590 1.00 24.35 H new ATOM 0 HA ASN A 32 7.881 15.127 3.232 1.00 62.42 H new ATOM 0 HB2 ASN A 32 9.225 13.924 5.663 1.00 0.31 H new ATOM 0 HB3 ASN A 32 8.507 15.513 5.490 1.00 0.31 H new ATOM 0 HD21 ASN A 32 5.070 14.001 5.479 1.00 33.31 H new ATOM 0 HD22 ASN A 32 6.037 14.949 4.345 1.00 33.31 H new ATOM 477 N CYS A 33 10.200 14.035 2.012 1.00 42.55 N ATOM 478 CA CYS A 33 11.544 14.121 1.453 1.00 41.11 C ATOM 479 C CYS A 33 11.623 15.213 0.389 1.00 34.44 C ATOM 480 O CYS A 33 10.673 15.969 0.190 1.00 70.25 O ATOM 481 CB CYS A 33 11.955 12.776 0.851 1.00 43.24 C ATOM 482 SG CYS A 33 12.207 11.456 2.081 1.00 51.33 S ATOM 0 H CYS A 33 9.513 13.605 1.393 1.00 42.55 H new ATOM 0 HA CYS A 33 12.231 14.376 2.260 1.00 41.11 H new ATOM 0 HB2 CYS A 33 11.189 12.457 0.144 1.00 43.24 H new ATOM 0 HB3 CYS A 33 12.876 12.910 0.284 1.00 43.24 H new ATOM 487 N GLY A 34 12.763 15.288 -0.291 1.00 75.40 N ATOM 488 CA GLY A 34 12.944 16.289 -1.326 1.00 24.23 C ATOM 489 C GLY A 34 12.922 15.693 -2.719 1.00 73.04 C ATOM 490 O GLY A 34 12.109 16.085 -3.558 1.00 22.12 O ATOM 0 H GLY A 34 13.564 14.674 -0.144 1.00 75.40 H new ATOM 0 HA2 GLY A 34 12.158 17.039 -1.243 1.00 24.23 H new ATOM 0 HA3 GLY A 34 13.893 16.802 -1.169 1.00 24.23 H new ATOM 494 N THR A 35 13.817 14.743 -2.970 1.00 44.00 N ATOM 495 CA THR A 35 13.899 14.094 -4.272 1.00 41.14 C ATOM 496 C THR A 35 14.312 12.633 -4.134 1.00 12.22 C ATOM 497 O THR A 35 14.513 12.137 -3.026 1.00 55.11 O ATOM 498 CB THR A 35 14.900 14.813 -5.197 1.00 11.15 C ATOM 499 OG1 THR A 35 14.735 14.359 -6.545 1.00 4.14 O ATOM 500 CG2 THR A 35 16.330 14.564 -4.743 1.00 65.31 C ATOM 0 H THR A 35 14.496 14.406 -2.288 1.00 44.00 H new ATOM 0 HA THR A 35 12.904 14.147 -4.714 1.00 41.14 H new ATOM 0 HB THR A 35 14.702 15.884 -5.149 1.00 11.15 H new ATOM 0 HG1 THR A 35 15.374 14.822 -7.127 1.00 4.14 H new ATOM 0 HG21 THR A 35 17.019 15.081 -5.411 1.00 65.31 H new ATOM 0 HG22 THR A 35 16.460 14.938 -3.727 1.00 65.31 H new ATOM 0 HG23 THR A 35 16.538 13.494 -4.765 1.00 65.31 H new ATOM 508 N GLY A 36 14.438 11.948 -5.267 1.00 14.33 N ATOM 509 CA GLY A 36 14.827 10.550 -5.249 1.00 53.40 C ATOM 510 C GLY A 36 15.148 10.021 -6.632 1.00 62.44 C ATOM 511 O GLY A 36 14.366 10.191 -7.567 1.00 52.22 O ATOM 0 H GLY A 36 14.278 12.336 -6.196 1.00 14.33 H new ATOM 0 HA2 GLY A 36 15.698 10.426 -4.605 1.00 53.40 H new ATOM 0 HA3 GLY A 36 14.022 9.957 -4.814 1.00 53.40 H new ATOM 515 N SER A 37 16.304 9.377 -6.764 1.00 52.21 N ATOM 516 CA SER A 37 16.730 8.826 -8.045 1.00 31.51 C ATOM 517 C SER A 37 16.923 7.315 -7.949 1.00 12.23 C ATOM 518 O SER A 37 17.354 6.797 -6.918 1.00 71.22 O ATOM 519 CB SER A 37 18.030 9.489 -8.503 1.00 2.02 C ATOM 520 OG SER A 37 18.046 9.663 -9.909 1.00 65.51 O ATOM 0 H SER A 37 16.962 9.224 -6.000 1.00 52.21 H new ATOM 0 HA SER A 37 15.949 9.030 -8.778 1.00 31.51 H new ATOM 0 HB2 SER A 37 18.141 10.456 -8.013 1.00 2.02 H new ATOM 0 HB3 SER A 37 18.880 8.878 -8.199 1.00 2.02 H new ATOM 0 HG SER A 37 18.887 10.090 -10.176 1.00 65.51 H new ATOM 526 N CYS A 38 16.600 6.614 -9.030 1.00 64.23 N ATOM 527 CA CYS A 38 16.737 5.163 -9.070 1.00 73.12 C ATOM 528 C CYS A 38 17.824 4.746 -10.056 1.00 24.32 C ATOM 529 O CYS A 38 17.971 5.340 -11.124 1.00 64.11 O ATOM 530 CB CYS A 38 15.406 4.515 -9.458 1.00 0.10 C ATOM 531 SG CYS A 38 14.949 4.745 -11.206 1.00 53.03 S ATOM 0 H CYS A 38 16.241 7.027 -9.891 1.00 64.23 H new ATOM 0 HA CYS A 38 17.024 4.823 -8.075 1.00 73.12 H new ATOM 0 HB2 CYS A 38 15.458 3.447 -9.245 1.00 0.10 H new ATOM 0 HB3 CYS A 38 14.617 4.928 -8.830 1.00 0.10 H new ATOM 536 N LYS A 39 18.585 3.719 -9.690 1.00 12.44 N ATOM 537 CA LYS A 39 19.658 3.220 -10.540 1.00 44.04 C ATOM 538 C LYS A 39 19.795 1.706 -10.412 1.00 3.34 C ATOM 539 O LYS A 39 19.463 1.128 -9.377 1.00 12.13 O ATOM 540 CB LYS A 39 20.982 3.895 -10.175 1.00 43.43 C ATOM 541 CG LYS A 39 20.875 5.403 -10.026 1.00 42.15 C ATOM 542 CD LYS A 39 22.193 6.015 -9.581 1.00 61.51 C ATOM 543 CE LYS A 39 22.251 7.502 -9.892 1.00 53.23 C ATOM 544 NZ LYS A 39 23.587 7.910 -10.408 1.00 71.32 N ATOM 0 H LYS A 39 18.477 3.216 -8.809 1.00 12.44 H new ATOM 0 HA LYS A 39 19.409 3.458 -11.574 1.00 44.04 H new ATOM 0 HB2 LYS A 39 21.351 3.471 -9.241 1.00 43.43 H new ATOM 0 HB3 LYS A 39 21.721 3.666 -10.943 1.00 43.43 H new ATOM 0 HG2 LYS A 39 20.571 5.843 -10.976 1.00 42.15 H new ATOM 0 HG3 LYS A 39 20.098 5.644 -9.300 1.00 42.15 H new ATOM 0 HD2 LYS A 39 22.323 5.861 -8.510 1.00 61.51 H new ATOM 0 HD3 LYS A 39 23.018 5.506 -10.079 1.00 61.51 H new ATOM 0 HE2 LYS A 39 21.487 7.749 -10.629 1.00 53.23 H new ATOM 0 HE3 LYS A 39 22.021 8.071 -8.991 1.00 53.23 H new ATOM 0 HZ1 LYS A 39 23.585 8.931 -10.608 1.00 71.32 H new ATOM 0 HZ2 LYS A 39 24.314 7.698 -9.695 1.00 71.32 H new ATOM 0 HZ3 LYS A 39 23.796 7.387 -11.282 1.00 71.32 H new ATOM 558 N LYS A 40 20.288 1.069 -11.468 1.00 40.45 N ATOM 559 CA LYS A 40 20.472 -0.377 -11.474 1.00 21.05 C ATOM 560 C LYS A 40 21.644 -0.779 -10.584 1.00 64.44 C ATOM 561 O LYS A 40 22.797 -0.467 -10.882 1.00 43.13 O ATOM 562 CB LYS A 40 20.706 -0.877 -12.901 1.00 34.11 C ATOM 563 CG LYS A 40 19.475 -1.500 -13.536 1.00 74.20 C ATOM 564 CD LYS A 40 19.042 -2.757 -12.799 1.00 1.41 C ATOM 565 CE LYS A 40 18.292 -3.711 -13.716 1.00 4.30 C ATOM 566 NZ LYS A 40 19.220 -4.590 -14.480 1.00 45.41 N ATOM 0 H LYS A 40 20.568 1.532 -12.332 1.00 40.45 H new ATOM 0 HA LYS A 40 19.565 -0.835 -11.080 1.00 21.05 H new ATOM 0 HB2 LYS A 40 21.041 -0.044 -13.519 1.00 34.11 H new ATOM 0 HB3 LYS A 40 21.511 -1.611 -12.892 1.00 34.11 H new ATOM 0 HG2 LYS A 40 18.659 -0.777 -13.535 1.00 74.20 H new ATOM 0 HG3 LYS A 40 19.685 -1.742 -14.578 1.00 74.20 H new ATOM 0 HD2 LYS A 40 19.918 -3.259 -12.388 1.00 1.41 H new ATOM 0 HD3 LYS A 40 18.406 -2.485 -11.957 1.00 1.41 H new ATOM 0 HE2 LYS A 40 17.614 -4.326 -13.124 1.00 4.30 H new ATOM 0 HE3 LYS A 40 17.678 -3.139 -14.412 1.00 4.30 H new ATOM 0 HZ1 LYS A 40 18.846 -4.739 -15.439 1.00 45.41 H new ATOM 0 HZ2 LYS A 40 20.155 -4.139 -14.539 1.00 45.41 H new ATOM 0 HZ3 LYS A 40 19.307 -5.507 -13.996 1.00 45.41 H new ATOM 580 N ARG A 41 21.342 -1.475 -9.493 1.00 60.22 N ATOM 581 CA ARG A 41 22.371 -1.920 -8.561 1.00 61.55 C ATOM 582 C ARG A 41 22.666 -3.406 -8.747 1.00 24.03 C ATOM 583 O ARG A 41 21.868 -4.260 -8.363 1.00 74.42 O ATOM 584 CB ARG A 41 21.935 -1.652 -7.120 1.00 73.20 C ATOM 585 CG ARG A 41 21.716 -0.180 -6.814 1.00 55.40 C ATOM 586 CD ARG A 41 23.012 0.609 -6.912 1.00 62.33 C ATOM 587 NE ARG A 41 23.969 0.219 -5.880 1.00 63.24 N ATOM 588 CZ ARG A 41 25.207 0.695 -5.809 1.00 23.04 C ATOM 589 NH1 ARG A 41 25.636 1.574 -6.704 1.00 12.45 N ATOM 590 NH2 ARG A 41 26.019 0.292 -4.840 1.00 24.23 N ATOM 0 H ARG A 41 20.393 -1.743 -9.233 1.00 60.22 H new ATOM 0 HA ARG A 41 23.281 -1.357 -8.768 1.00 61.55 H new ATOM 0 HB2 ARG A 41 21.012 -2.197 -6.921 1.00 73.20 H new ATOM 0 HB3 ARG A 41 22.691 -2.047 -6.441 1.00 73.20 H new ATOM 0 HG2 ARG A 41 20.985 0.232 -7.509 1.00 55.40 H new ATOM 0 HG3 ARG A 41 21.299 -0.074 -5.813 1.00 55.40 H new ATOM 0 HD2 ARG A 41 23.456 0.455 -7.895 1.00 62.33 H new ATOM 0 HD3 ARG A 41 22.796 1.674 -6.823 1.00 62.33 H new ATOM 0 HE ARG A 41 23.670 -0.456 -5.176 1.00 63.24 H new ATOM 0 HH11 ARG A 41 25.015 1.887 -7.450 1.00 12.45 H new ATOM 0 HH12 ARG A 41 26.587 1.937 -6.646 1.00 12.45 H new ATOM 0 HH21 ARG A 41 25.693 -0.384 -4.149 1.00 24.23 H new ATOM 0 HH22 ARG A 41 26.970 0.658 -4.786 1.00 24.23 H new ATOM 604 N SER A 42 23.819 -3.706 -9.338 1.00 14.13 N ATOM 605 CA SER A 42 24.218 -5.088 -9.578 1.00 14.30 C ATOM 606 C SER A 42 23.210 -5.795 -10.479 1.00 62.14 C ATOM 607 O SER A 42 23.006 -7.004 -10.372 1.00 51.55 O ATOM 608 CB SER A 42 24.350 -5.840 -8.253 1.00 33.44 C ATOM 609 OG SER A 42 25.510 -6.654 -8.242 1.00 1.35 O ATOM 0 H SER A 42 24.493 -3.011 -9.659 1.00 14.13 H new ATOM 0 HA SER A 42 25.185 -5.079 -10.080 1.00 14.30 H new ATOM 0 HB2 SER A 42 24.394 -5.127 -7.430 1.00 33.44 H new ATOM 0 HB3 SER A 42 23.467 -6.458 -8.092 1.00 33.44 H new ATOM 0 HG SER A 42 25.572 -7.123 -7.384 1.00 1.35 H new ATOM 615 N GLY A 43 22.583 -5.031 -11.369 1.00 35.34 N ATOM 616 CA GLY A 43 21.604 -5.601 -12.276 1.00 53.21 C ATOM 617 C GLY A 43 20.221 -5.683 -11.661 1.00 11.55 C ATOM 618 O GLY A 43 19.321 -6.308 -12.221 1.00 32.43 O ATOM 0 H GLY A 43 22.736 -4.028 -11.478 1.00 35.34 H new ATOM 0 HA2 GLY A 43 21.560 -4.998 -13.183 1.00 53.21 H new ATOM 0 HA3 GLY A 43 21.926 -6.599 -12.572 1.00 53.21 H new ATOM 622 N ARG A 44 20.051 -5.050 -10.504 1.00 25.20 N ATOM 623 CA ARG A 44 18.769 -5.057 -9.810 1.00 41.34 C ATOM 624 C ARG A 44 18.190 -3.648 -9.725 1.00 2.53 C ATOM 625 O ARG A 44 18.882 -2.685 -9.393 1.00 1.24 O ATOM 626 CB ARG A 44 18.928 -5.641 -8.405 1.00 41.44 C ATOM 627 CG ARG A 44 19.412 -7.082 -8.396 1.00 15.42 C ATOM 628 CD ARG A 44 18.265 -8.055 -8.621 1.00 23.32 C ATOM 629 NE ARG A 44 18.544 -8.986 -9.711 1.00 22.53 N ATOM 630 CZ ARG A 44 17.860 -10.107 -9.913 1.00 62.10 C ATOM 631 NH1 ARG A 44 16.862 -10.434 -9.104 1.00 1.33 N ATOM 632 NH2 ARG A 44 18.174 -10.903 -10.927 1.00 71.41 N ATOM 0 H ARG A 44 20.785 -4.526 -10.028 1.00 25.20 H new ATOM 0 HA ARG A 44 18.080 -5.681 -10.379 1.00 41.34 H new ATOM 0 HB2 ARG A 44 19.631 -5.027 -7.843 1.00 41.44 H new ATOM 0 HB3 ARG A 44 17.971 -5.585 -7.887 1.00 41.44 H new ATOM 0 HG2 ARG A 44 20.165 -7.219 -9.172 1.00 15.42 H new ATOM 0 HG3 ARG A 44 19.894 -7.299 -7.443 1.00 15.42 H new ATOM 0 HD2 ARG A 44 18.079 -8.615 -7.704 1.00 23.32 H new ATOM 0 HD3 ARG A 44 17.355 -7.498 -8.844 1.00 23.32 H new ATOM 0 HE ARG A 44 19.305 -8.764 -10.352 1.00 22.53 H new ATOM 0 HH11 ARG A 44 16.617 -9.824 -8.324 1.00 1.33 H new ATOM 0 HH12 ARG A 44 16.339 -11.295 -9.262 1.00 1.33 H new ATOM 0 HH21 ARG A 44 18.941 -10.654 -11.552 1.00 71.41 H new ATOM 0 HH22 ARG A 44 17.649 -11.763 -11.082 1.00 71.41 H new ATOM 646 N PRO A 45 16.891 -3.522 -10.032 1.00 15.35 N ATOM 647 CA PRO A 45 16.190 -2.235 -9.997 1.00 11.44 C ATOM 648 C PRO A 45 16.006 -1.713 -8.575 1.00 74.35 C ATOM 649 O PRO A 45 15.031 -2.048 -7.901 1.00 52.03 O ATOM 650 CB PRO A 45 14.833 -2.552 -10.630 1.00 30.11 C ATOM 651 CG PRO A 45 14.635 -4.009 -10.390 1.00 55.10 C ATOM 652 CD PRO A 45 16.005 -4.627 -10.436 1.00 12.53 C ATOM 0 HA PRO A 45 16.746 -1.454 -10.516 1.00 11.44 H new ATOM 0 HB2 PRO A 45 14.036 -1.964 -10.174 1.00 30.11 H new ATOM 0 HB3 PRO A 45 14.830 -2.322 -11.695 1.00 30.11 H new ATOM 0 HG2 PRO A 45 14.160 -4.184 -9.425 1.00 55.10 H new ATOM 0 HG3 PRO A 45 13.985 -4.445 -11.149 1.00 55.10 H new ATOM 0 HD2 PRO A 45 16.086 -5.476 -9.757 1.00 12.53 H new ATOM 0 HD3 PRO A 45 16.248 -4.993 -11.434 1.00 12.53 H new ATOM 660 N THR A 46 16.948 -0.891 -8.125 1.00 11.04 N ATOM 661 CA THR A 46 16.890 -0.324 -6.783 1.00 53.14 C ATOM 662 C THR A 46 16.515 1.153 -6.827 1.00 13.03 C ATOM 663 O THR A 46 17.068 1.922 -7.614 1.00 31.23 O ATOM 664 CB THR A 46 18.235 -0.479 -6.049 1.00 33.11 C ATOM 665 OG1 THR A 46 18.566 -1.866 -5.921 1.00 33.32 O ATOM 666 CG2 THR A 46 18.176 0.163 -4.671 1.00 21.10 C ATOM 0 H THR A 46 17.761 -0.603 -8.670 1.00 11.04 H new ATOM 0 HA THR A 46 16.123 -0.875 -6.239 1.00 53.14 H new ATOM 0 HB THR A 46 19.004 0.025 -6.635 1.00 33.11 H new ATOM 0 HG1 THR A 46 19.423 -1.956 -5.455 1.00 33.32 H new ATOM 0 HG21 THR A 46 19.137 0.041 -4.171 1.00 21.10 H new ATOM 0 HG22 THR A 46 17.953 1.225 -4.774 1.00 21.10 H new ATOM 0 HG23 THR A 46 17.396 -0.316 -4.079 1.00 21.10 H new ATOM 674 N CYS A 47 15.572 1.545 -5.976 1.00 22.42 N ATOM 675 CA CYS A 47 15.123 2.930 -5.916 1.00 52.22 C ATOM 676 C CYS A 47 15.756 3.657 -4.733 1.00 43.03 C ATOM 677 O CYS A 47 15.566 3.272 -3.580 1.00 30.23 O ATOM 678 CB CYS A 47 13.598 2.990 -5.808 1.00 32.50 C ATOM 679 SG CYS A 47 12.833 4.314 -6.798 1.00 2.14 S ATOM 0 H CYS A 47 15.104 0.922 -5.318 1.00 22.42 H new ATOM 0 HA CYS A 47 15.436 3.426 -6.835 1.00 52.22 H new ATOM 0 HB2 CYS A 47 13.184 2.032 -6.122 1.00 32.50 H new ATOM 0 HB3 CYS A 47 13.324 3.129 -4.762 1.00 32.50 H new ATOM 684 N VAL A 48 16.510 4.711 -5.029 1.00 5.14 N ATOM 685 CA VAL A 48 17.171 5.493 -3.991 1.00 1.34 C ATOM 686 C VAL A 48 16.536 6.872 -3.853 1.00 54.23 C ATOM 687 O VAL A 48 16.062 7.450 -4.832 1.00 43.22 O ATOM 688 CB VAL A 48 18.674 5.660 -4.284 1.00 70.31 C ATOM 689 CG1 VAL A 48 19.429 6.021 -3.014 1.00 65.52 C ATOM 690 CG2 VAL A 48 19.238 4.392 -4.908 1.00 0.10 C ATOM 0 H VAL A 48 16.678 5.043 -5.979 1.00 5.14 H new ATOM 0 HA VAL A 48 17.049 4.944 -3.057 1.00 1.34 H new ATOM 0 HB VAL A 48 18.800 6.476 -4.996 1.00 70.31 H new ATOM 0 HG11 VAL A 48 20.489 6.135 -3.241 1.00 65.52 H new ATOM 0 HG12 VAL A 48 19.041 6.958 -2.614 1.00 65.52 H new ATOM 0 HG13 VAL A 48 19.299 5.230 -2.276 1.00 65.52 H new ATOM 0 HG21 VAL A 48 20.301 4.527 -5.109 1.00 0.10 H new ATOM 0 HG22 VAL A 48 19.102 3.557 -4.221 1.00 0.10 H new ATOM 0 HG23 VAL A 48 18.716 4.183 -5.842 1.00 0.10 H new ATOM 700 N CYS A 49 16.528 7.395 -2.632 1.00 5.32 N ATOM 701 CA CYS A 49 15.951 8.707 -2.364 1.00 44.15 C ATOM 702 C CYS A 49 17.024 9.690 -1.905 1.00 3.03 C ATOM 703 O CYS A 49 18.136 9.293 -1.555 1.00 61.13 O ATOM 704 CB CYS A 49 14.855 8.598 -1.303 1.00 1.42 C ATOM 705 SG CYS A 49 13.177 8.925 -1.931 1.00 74.20 S ATOM 0 H CYS A 49 16.915 6.930 -1.811 1.00 5.32 H new ATOM 0 HA CYS A 49 15.514 9.080 -3.290 1.00 44.15 H new ATOM 0 HB2 CYS A 49 14.881 7.598 -0.871 1.00 1.42 H new ATOM 0 HB3 CYS A 49 15.073 9.299 -0.497 1.00 1.42 H new ATOM 710 N TYR A 50 16.683 10.974 -1.908 1.00 32.34 N ATOM 711 CA TYR A 50 17.617 12.014 -1.493 1.00 73.12 C ATOM 712 C TYR A 50 16.871 13.239 -0.971 1.00 65.34 C ATOM 713 O TYR A 50 15.645 13.312 -1.048 1.00 11.01 O ATOM 714 CB TYR A 50 18.520 12.412 -2.661 1.00 43.23 C ATOM 715 CG TYR A 50 19.403 11.288 -3.155 1.00 12.12 C ATOM 716 CD1 TYR A 50 20.659 11.071 -2.601 1.00 72.35 C ATOM 717 CD2 TYR A 50 18.982 10.444 -4.175 1.00 15.03 C ATOM 718 CE1 TYR A 50 21.469 10.045 -3.050 1.00 0.45 C ATOM 719 CE2 TYR A 50 19.784 9.415 -4.628 1.00 43.30 C ATOM 720 CZ TYR A 50 21.027 9.220 -4.063 1.00 2.14 C ATOM 721 OH TYR A 50 21.830 8.197 -4.512 1.00 44.43 O ATOM 0 H TYR A 50 15.767 11.320 -2.193 1.00 32.34 H new ATOM 0 HA TYR A 50 18.232 11.615 -0.686 1.00 73.12 H new ATOM 0 HB2 TYR A 50 17.900 12.764 -3.485 1.00 43.23 H new ATOM 0 HB3 TYR A 50 19.148 13.248 -2.355 1.00 43.23 H new ATOM 0 HD1 TYR A 50 21.008 11.714 -1.807 1.00 72.35 H new ATOM 0 HD2 TYR A 50 18.010 10.595 -4.622 1.00 15.03 H new ATOM 0 HE1 TYR A 50 22.443 9.890 -2.610 1.00 0.45 H new ATOM 0 HE2 TYR A 50 19.440 8.767 -5.420 1.00 43.30 H new ATOM 0 HH TYR A 50 21.370 7.710 -5.227 1.00 44.43 H new ATOM 731 N ARG A 51 17.622 14.199 -0.441 1.00 63.45 N ATOM 732 CA ARG A 51 17.034 15.421 0.094 1.00 64.32 C ATOM 733 C ARG A 51 15.909 15.099 1.073 1.00 3.01 C ATOM 734 O ARG A 51 14.969 15.878 1.232 1.00 33.33 O ATOM 735 CB ARG A 51 16.502 16.296 -1.042 1.00 74.32 C ATOM 736 CG ARG A 51 17.559 16.676 -2.065 1.00 43.33 C ATOM 737 CD ARG A 51 17.413 18.124 -2.506 1.00 11.44 C ATOM 738 NE ARG A 51 18.707 18.787 -2.647 1.00 72.24 N ATOM 739 CZ ARG A 51 19.466 19.145 -1.618 1.00 12.02 C ATOM 740 NH1 ARG A 51 19.063 18.905 -0.378 1.00 14.43 N ATOM 741 NH2 ARG A 51 20.631 19.744 -1.828 1.00 22.22 N ATOM 0 H ARG A 51 18.639 14.154 -0.371 1.00 63.45 H new ATOM 0 HA ARG A 51 17.812 15.966 0.628 1.00 64.32 H new ATOM 0 HB2 ARG A 51 15.693 15.768 -1.547 1.00 74.32 H new ATOM 0 HB3 ARG A 51 16.075 17.205 -0.619 1.00 74.32 H new ATOM 0 HG2 ARG A 51 18.551 16.523 -1.639 1.00 43.33 H new ATOM 0 HG3 ARG A 51 17.480 16.021 -2.932 1.00 43.33 H new ATOM 0 HD2 ARG A 51 16.881 18.161 -3.457 1.00 11.44 H new ATOM 0 HD3 ARG A 51 16.806 18.665 -1.780 1.00 11.44 H new ATOM 0 HE ARG A 51 19.046 18.986 -3.588 1.00 72.24 H new ATOM 0 HH11 ARG A 51 18.168 18.444 -0.213 1.00 14.43 H new ATOM 0 HH12 ARG A 51 19.648 19.181 0.411 1.00 14.43 H new ATOM 0 HH21 ARG A 51 20.944 19.930 -2.781 1.00 22.22 H new ATOM 0 HH22 ARG A 51 21.213 20.019 -1.037 1.00 22.22 H new ATOM 755 N CYS A 52 16.012 13.947 1.727 1.00 62.33 N ATOM 756 CA CYS A 52 15.004 13.520 2.690 1.00 50.44 C ATOM 757 C CYS A 52 15.086 14.351 3.967 1.00 4.01 C ATOM 758 O CYS A 52 15.982 15.181 4.124 1.00 74.44 O ATOM 759 CB CYS A 52 15.180 12.037 3.020 1.00 15.05 C ATOM 760 SG CYS A 52 13.613 11.137 3.253 1.00 61.54 S ATOM 0 H CYS A 52 16.784 13.292 1.607 1.00 62.33 H new ATOM 0 HA CYS A 52 14.022 13.671 2.242 1.00 50.44 H new ATOM 0 HB2 CYS A 52 15.744 11.562 2.218 1.00 15.05 H new ATOM 0 HB3 CYS A 52 15.778 11.946 3.927 1.00 15.05 H new ATOM 765 N ALA A 53 14.146 14.121 4.878 1.00 71.15 N ATOM 766 CA ALA A 53 14.113 14.845 6.142 1.00 41.52 C ATOM 767 C ALA A 53 14.551 13.952 7.298 1.00 55.41 C ATOM 768 O ALA A 53 15.109 14.429 8.285 1.00 33.54 O ATOM 769 CB ALA A 53 12.719 15.398 6.398 1.00 74.25 C ATOM 0 H ALA A 53 13.397 13.438 4.764 1.00 71.15 H new ATOM 0 HA ALA A 53 14.814 15.677 6.074 1.00 41.52 H new ATOM 0 HB1 ALA A 53 12.710 15.936 7.346 1.00 74.25 H new ATOM 0 HB2 ALA A 53 12.444 16.078 5.592 1.00 74.25 H new ATOM 0 HB3 ALA A 53 12.004 14.577 6.440 1.00 74.25 H new ATOM 775 N ASN A 54 14.292 12.655 7.168 1.00 44.11 N ATOM 776 CA ASN A 54 14.659 11.695 8.203 1.00 12.41 C ATOM 777 C ASN A 54 16.043 11.112 7.939 1.00 45.14 C ATOM 778 O ASN A 54 16.396 10.058 8.467 1.00 51.33 O ATOM 779 CB ASN A 54 13.624 10.570 8.274 1.00 2.51 C ATOM 780 CG ASN A 54 13.071 10.381 9.673 1.00 10.14 C ATOM 781 OD1 ASN A 54 12.068 10.992 10.044 1.00 23.43 O ATOM 782 ND2 ASN A 54 13.724 9.532 10.458 1.00 64.12 N ATOM 0 H ASN A 54 13.830 12.245 6.357 1.00 44.11 H new ATOM 0 HA ASN A 54 14.682 12.220 9.158 1.00 12.41 H new ATOM 0 HB2 ASN A 54 12.805 10.790 7.589 1.00 2.51 H new ATOM 0 HB3 ASN A 54 14.080 9.639 7.938 1.00 2.51 H new ATOM 0 HD21 ASN A 54 13.399 9.364 11.410 1.00 64.12 H new ATOM 0 HD22 ASN A 54 14.551 9.047 10.109 1.00 64.12 H new ATOM 789 N GLY A 55 16.825 11.806 7.117 1.00 42.20 N ATOM 790 CA GLY A 55 18.162 11.342 6.797 1.00 45.21 C ATOM 791 C GLY A 55 18.883 12.268 5.837 1.00 60.22 C ATOM 792 O GLY A 55 20.106 12.390 5.881 1.00 24.15 O ATOM 0 H GLY A 55 16.556 12.681 6.667 1.00 42.20 H new ATOM 0 HA2 GLY A 55 18.742 11.253 7.716 1.00 45.21 H new ATOM 0 HA3 GLY A 55 18.102 10.345 6.360 1.00 45.21 H new ATOM 796 N GLY A 56 18.122 12.921 4.964 1.00 43.33 N ATOM 797 CA GLY A 56 18.713 13.831 4.000 1.00 65.35 C ATOM 798 C GLY A 56 19.724 13.146 3.101 1.00 43.20 C ATOM 799 O GLY A 56 20.901 13.505 3.092 1.00 51.30 O ATOM 0 H GLY A 56 17.107 12.836 4.907 1.00 43.33 H new ATOM 0 HA2 GLY A 56 17.925 14.269 3.388 1.00 65.35 H new ATOM 0 HA3 GLY A 56 19.199 14.651 4.529 1.00 65.35 H new ATOM 803 N GLY A 57 19.265 12.155 2.343 1.00 32.23 N ATOM 804 CA GLY A 57 20.151 11.433 1.449 1.00 73.30 C ATOM 805 C GLY A 57 19.584 10.091 1.030 1.00 20.44 C ATOM 806 O GLY A 57 18.375 9.950 0.847 1.00 71.25 O ATOM 0 H GLY A 57 18.295 11.839 2.332 1.00 32.23 H new ATOM 0 HA2 GLY A 57 20.339 12.038 0.562 1.00 73.30 H new ATOM 0 HA3 GLY A 57 21.112 11.281 1.940 1.00 73.30 H new ATOM 810 N ASP A 58 20.459 9.103 0.878 1.00 72.52 N ATOM 811 CA ASP A 58 20.039 7.765 0.477 1.00 31.44 C ATOM 812 C ASP A 58 19.130 7.142 1.533 1.00 64.44 C ATOM 813 O ASP A 58 19.599 6.675 2.572 1.00 53.43 O ATOM 814 CB ASP A 58 21.259 6.872 0.246 1.00 41.03 C ATOM 815 CG ASP A 58 22.260 6.953 1.381 1.00 10.45 C ATOM 816 OD1 ASP A 58 22.328 5.997 2.182 1.00 2.33 O ATOM 817 OD2 ASP A 58 22.976 7.973 1.469 1.00 72.30 O ATOM 0 H ASP A 58 21.463 9.203 1.026 1.00 72.52 H new ATOM 0 HA ASP A 58 19.479 7.850 -0.454 1.00 31.44 H new ATOM 0 HB2 ASP A 58 20.932 5.839 0.127 1.00 41.03 H new ATOM 0 HB3 ASP A 58 21.746 7.161 -0.685 1.00 41.03 H new ATOM 822 N ILE A 59 17.830 7.138 1.259 1.00 1.32 N ATOM 823 CA ILE A 59 16.857 6.573 2.185 1.00 73.20 C ATOM 824 C ILE A 59 15.812 5.744 1.446 1.00 71.14 C ATOM 825 O ILE A 59 14.948 6.271 0.744 1.00 21.31 O ATOM 826 CB ILE A 59 16.144 7.673 2.994 1.00 24.42 C ATOM 827 CG1 ILE A 59 17.157 8.705 3.494 1.00 52.32 C ATOM 828 CG2 ILE A 59 15.382 7.062 4.161 1.00 4.30 C ATOM 829 CD1 ILE A 59 17.933 8.251 4.710 1.00 65.13 C ATOM 0 H ILE A 59 17.426 7.520 0.403 1.00 1.32 H new ATOM 0 HA ILE A 59 17.410 5.930 2.870 1.00 73.20 H new ATOM 0 HB ILE A 59 15.430 8.178 2.344 1.00 24.42 H new ATOM 0 HG12 ILE A 59 17.857 8.933 2.691 1.00 52.32 H new ATOM 0 HG13 ILE A 59 16.633 9.631 3.732 1.00 52.32 H new ATOM 0 HG21 ILE A 59 14.883 7.852 4.723 1.00 4.30 H new ATOM 0 HG22 ILE A 59 14.638 6.361 3.783 1.00 4.30 H new ATOM 0 HG23 ILE A 59 16.078 6.535 4.814 1.00 4.30 H new ATOM 0 HD11 ILE A 59 18.632 9.033 5.008 1.00 65.13 H new ATOM 0 HD12 ILE A 59 17.242 8.050 5.529 1.00 65.13 H new ATOM 0 HD13 ILE A 59 18.485 7.342 4.471 1.00 65.13 H new ATOM 841 N PRO A 60 15.889 4.414 1.606 1.00 4.53 N ATOM 842 CA PRO A 60 14.957 3.484 0.964 1.00 73.22 C ATOM 843 C PRO A 60 13.553 3.572 1.552 1.00 33.53 C ATOM 844 O PRO A 60 13.380 3.898 2.727 1.00 23.25 O ATOM 845 CB PRO A 60 15.572 2.111 1.250 1.00 54.52 C ATOM 846 CG PRO A 60 16.375 2.307 2.489 1.00 42.22 C ATOM 847 CD PRO A 60 16.893 3.718 2.428 1.00 62.41 C ATOM 0 HA PRO A 60 14.834 3.698 -0.098 1.00 73.22 H new ATOM 0 HB2 PRO A 60 14.801 1.354 1.393 1.00 54.52 H new ATOM 0 HB3 PRO A 60 16.197 1.777 0.422 1.00 54.52 H new ATOM 0 HG2 PRO A 60 15.764 2.154 3.378 1.00 42.22 H new ATOM 0 HG3 PRO A 60 17.196 1.592 2.539 1.00 42.22 H new ATOM 0 HD2 PRO A 60 16.975 4.159 3.421 1.00 62.41 H new ATOM 0 HD3 PRO A 60 17.884 3.763 1.976 1.00 62.41 H new ATOM 855 N LEU A 61 12.552 3.278 0.729 1.00 0.23 N ATOM 856 CA LEU A 61 11.162 3.323 1.169 1.00 53.42 C ATOM 857 C LEU A 61 10.968 2.514 2.447 1.00 70.31 C ATOM 858 O LEU A 61 10.013 2.729 3.192 1.00 53.15 O ATOM 859 CB LEU A 61 10.241 2.790 0.069 1.00 2.54 C ATOM 860 CG LEU A 61 10.142 3.644 -1.195 1.00 42.04 C ATOM 861 CD1 LEU A 61 9.045 3.120 -2.108 1.00 53.04 C ATOM 862 CD2 LEU A 61 9.890 5.101 -0.837 1.00 51.30 C ATOM 0 H LEU A 61 12.677 3.006 -0.246 1.00 0.23 H new ATOM 0 HA LEU A 61 10.906 4.362 1.377 1.00 53.42 H new ATOM 0 HB2 LEU A 61 10.585 1.795 -0.215 1.00 2.54 H new ATOM 0 HB3 LEU A 61 9.240 2.675 0.485 1.00 2.54 H new ATOM 0 HG LEU A 61 11.091 3.581 -1.728 1.00 42.04 H new ATOM 0 HD11 LEU A 61 8.989 3.740 -3.003 1.00 53.04 H new ATOM 0 HD12 LEU A 61 9.269 2.092 -2.393 1.00 53.04 H new ATOM 0 HD13 LEU A 61 8.090 3.152 -1.584 1.00 53.04 H new ATOM 0 HD21 LEU A 61 9.823 5.693 -1.749 1.00 51.30 H new ATOM 0 HD22 LEU A 61 8.956 5.183 -0.281 1.00 51.30 H new ATOM 0 HD23 LEU A 61 10.711 5.472 -0.223 1.00 51.30 H new ATOM 874 N GLY A 62 11.883 1.582 2.696 1.00 63.24 N ATOM 875 CA GLY A 62 11.796 0.755 3.885 1.00 3.44 C ATOM 876 C GLY A 62 12.328 1.457 5.119 1.00 4.30 C ATOM 877 O GLY A 62 11.827 1.250 6.224 1.00 43.42 O ATOM 0 H GLY A 62 12.683 1.385 2.095 1.00 63.24 H new ATOM 0 HA2 GLY A 62 10.757 0.472 4.052 1.00 3.44 H new ATOM 0 HA3 GLY A 62 12.356 -0.166 3.725 1.00 3.44 H new ATOM 881 N ALA A 63 13.348 2.289 4.931 1.00 30.13 N ATOM 882 CA ALA A 63 13.948 3.024 6.038 1.00 62.32 C ATOM 883 C ALA A 63 13.118 4.252 6.395 1.00 4.14 C ATOM 884 O ALA A 63 13.201 4.767 7.511 1.00 23.34 O ATOM 885 CB ALA A 63 15.373 3.430 5.691 1.00 71.34 C ATOM 0 H ALA A 63 13.776 2.471 4.023 1.00 30.13 H new ATOM 0 HA ALA A 63 13.971 2.368 6.908 1.00 62.32 H new ATOM 0 HB1 ALA A 63 15.809 3.978 6.526 1.00 71.34 H new ATOM 0 HB2 ALA A 63 15.967 2.538 5.492 1.00 71.34 H new ATOM 0 HB3 ALA A 63 15.365 4.065 4.805 1.00 71.34 H new ATOM 891 N LEU A 64 12.319 4.718 5.442 1.00 1.11 N ATOM 892 CA LEU A 64 11.474 5.888 5.656 1.00 32.45 C ATOM 893 C LEU A 64 10.165 5.497 6.336 1.00 25.41 C ATOM 894 O LEU A 64 9.273 6.327 6.510 1.00 73.33 O ATOM 895 CB LEU A 64 11.182 6.582 4.325 1.00 64.32 C ATOM 896 CG LEU A 64 11.962 7.869 4.054 1.00 11.13 C ATOM 897 CD1 LEU A 64 12.038 8.143 2.560 1.00 25.33 C ATOM 898 CD2 LEU A 64 11.322 9.043 4.781 1.00 30.23 C ATOM 0 H LEU A 64 12.238 4.304 4.513 1.00 1.11 H new ATOM 0 HA LEU A 64 12.010 6.578 6.308 1.00 32.45 H new ATOM 0 HB2 LEU A 64 11.389 5.879 3.518 1.00 64.32 H new ATOM 0 HB3 LEU A 64 10.117 6.811 4.283 1.00 64.32 H new ATOM 0 HG LEU A 64 12.977 7.742 4.431 1.00 11.13 H new ATOM 0 HD11 LEU A 64 12.597 9.063 2.387 1.00 25.33 H new ATOM 0 HD12 LEU A 64 12.541 7.314 2.063 1.00 25.33 H new ATOM 0 HD13 LEU A 64 11.030 8.249 2.158 1.00 25.33 H new ATOM 0 HD21 LEU A 64 11.890 9.951 4.577 1.00 30.23 H new ATOM 0 HD22 LEU A 64 10.297 9.171 4.434 1.00 30.23 H new ATOM 0 HD23 LEU A 64 11.320 8.849 5.854 1.00 30.23 H new ATOM 910 N ILE A 65 10.060 4.229 6.720 1.00 1.02 N ATOM 911 CA ILE A 65 8.862 3.729 7.384 1.00 44.50 C ATOM 912 C ILE A 65 8.906 4.011 8.882 1.00 50.40 C ATOM 913 O ILE A 65 9.944 3.852 9.525 1.00 14.23 O ATOM 914 CB ILE A 65 8.686 2.216 7.163 1.00 62.51 C ATOM 915 CG1 ILE A 65 8.856 1.871 5.682 1.00 43.12 C ATOM 916 CG2 ILE A 65 7.323 1.762 7.665 1.00 43.15 C ATOM 917 CD1 ILE A 65 8.569 0.421 5.362 1.00 73.03 C ATOM 0 H ILE A 65 10.790 3.530 6.583 1.00 1.02 H new ATOM 0 HA ILE A 65 8.014 4.253 6.943 1.00 44.50 H new ATOM 0 HB ILE A 65 9.454 1.690 7.730 1.00 62.51 H new ATOM 0 HG12 ILE A 65 8.192 2.503 5.092 1.00 43.12 H new ATOM 0 HG13 ILE A 65 9.876 2.107 5.377 1.00 43.12 H new ATOM 0 HG21 ILE A 65 7.214 0.690 7.502 1.00 43.15 H new ATOM 0 HG22 ILE A 65 7.237 1.977 8.730 1.00 43.15 H new ATOM 0 HG23 ILE A 65 6.540 2.293 7.123 1.00 43.15 H new ATOM 0 HD11 ILE A 65 8.710 0.249 4.295 1.00 73.03 H new ATOM 0 HD12 ILE A 65 9.250 -0.217 5.925 1.00 73.03 H new ATOM 0 HD13 ILE A 65 7.541 0.185 5.635 1.00 73.03 H new ATOM 929 N LYS A 66 7.772 4.430 9.433 1.00 75.31 N ATOM 930 CA LYS A 66 7.677 4.731 10.856 1.00 3.23 C ATOM 931 C LYS A 66 7.488 3.456 11.671 1.00 31.13 C ATOM 932 O LYS A 66 7.354 3.504 12.894 1.00 35.21 O ATOM 933 CB LYS A 66 6.517 5.694 11.119 1.00 60.00 C ATOM 934 CG LYS A 66 6.445 6.844 10.129 1.00 20.03 C ATOM 935 CD LYS A 66 7.650 7.761 10.252 1.00 40.41 C ATOM 936 CE LYS A 66 8.460 7.793 8.965 1.00 60.51 C ATOM 937 NZ LYS A 66 9.718 8.575 9.120 1.00 74.13 N ATOM 0 H LYS A 66 6.905 4.569 8.914 1.00 75.31 H new ATOM 0 HA LYS A 66 8.610 5.203 11.164 1.00 3.23 H new ATOM 0 HB2 LYS A 66 5.580 5.138 11.086 1.00 60.00 H new ATOM 0 HB3 LYS A 66 6.613 6.098 12.127 1.00 60.00 H new ATOM 0 HG2 LYS A 66 6.389 6.449 9.115 1.00 20.03 H new ATOM 0 HG3 LYS A 66 5.533 7.416 10.299 1.00 20.03 H new ATOM 0 HD2 LYS A 66 7.318 8.769 10.499 1.00 40.41 H new ATOM 0 HD3 LYS A 66 8.283 7.424 11.073 1.00 40.41 H new ATOM 0 HE2 LYS A 66 8.701 6.774 8.662 1.00 60.51 H new ATOM 0 HE3 LYS A 66 7.858 8.228 8.168 1.00 60.51 H new ATOM 0 HZ1 LYS A 66 10.241 8.573 8.221 1.00 74.13 H new ATOM 0 HZ2 LYS A 66 9.488 9.554 9.384 1.00 74.13 H new ATOM 0 HZ3 LYS A 66 10.305 8.145 9.863 1.00 74.13 H new ATOM 951 N ARG A 67 7.480 2.317 10.986 1.00 14.03 N ATOM 952 CA ARG A 67 7.307 1.029 11.647 1.00 1.13 C ATOM 953 C ARG A 67 5.942 0.944 12.324 1.00 21.21 C ATOM 954 O ARG A 67 5.712 0.085 13.175 1.00 41.34 O ATOM 955 CB ARG A 67 8.415 0.809 12.679 1.00 14.25 C ATOM 956 CG ARG A 67 9.515 -0.124 12.202 1.00 5.21 C ATOM 957 CD ARG A 67 10.110 0.345 10.884 1.00 43.25 C ATOM 958 NE ARG A 67 11.151 -0.558 10.400 1.00 20.34 N ATOM 959 CZ ARG A 67 10.903 -1.761 9.894 1.00 40.13 C ATOM 960 NH1 ARG A 67 9.656 -2.202 9.804 1.00 52.21 N ATOM 961 NH2 ARG A 67 11.904 -2.525 9.475 1.00 72.10 N ATOM 0 H ARG A 67 7.591 2.260 9.974 1.00 14.03 H new ATOM 0 HA ARG A 67 7.366 0.249 10.888 1.00 1.13 H new ATOM 0 HB2 ARG A 67 8.854 1.772 12.939 1.00 14.25 H new ATOM 0 HB3 ARG A 67 7.976 0.403 13.590 1.00 14.25 H new ATOM 0 HG2 ARG A 67 10.299 -0.180 12.957 1.00 5.21 H new ATOM 0 HG3 ARG A 67 9.114 -1.131 12.084 1.00 5.21 H new ATOM 0 HD2 ARG A 67 9.320 0.421 10.137 1.00 43.25 H new ATOM 0 HD3 ARG A 67 10.527 1.344 11.010 1.00 43.25 H new ATOM 0 HE ARG A 67 12.121 -0.248 10.453 1.00 20.34 H new ATOM 0 HH11 ARG A 67 8.884 -1.617 10.124 1.00 52.21 H new ATOM 0 HH12 ARG A 67 9.469 -3.126 9.415 1.00 52.21 H new ATOM 0 HH21 ARG A 67 12.865 -2.189 9.541 1.00 72.10 H new ATOM 0 HH22 ARG A 67 11.713 -3.449 9.087 1.00 72.10 H new ATOM 975 N GLY A 68 5.040 1.842 11.940 1.00 74.40 N ATOM 976 CA GLY A 68 3.709 1.851 12.520 1.00 43.01 C ATOM 977 C GLY A 68 3.717 2.252 13.982 1.00 70.42 C ATOM 978 O GLY A 68 3.455 1.429 14.859 1.00 21.20 O ATOM 0 H GLY A 68 5.207 2.563 11.238 1.00 74.40 H new ATOM 0 HA2 GLY A 68 3.077 2.541 11.961 1.00 43.01 H new ATOM 0 HA3 GLY A 68 3.266 0.860 12.420 1.00 43.01 H new TER 982 GLY A 68