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+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 33:sc= 1.19 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl -134:sc= -1.68 (180deg=-5.27!) 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=-0.025) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 170:sc= -2.97! 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 :FLIP amide:sc= -6.12! C(o=-8.7!,f=-6.1!) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.01 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+ 150:sc= -0.164 (180deg=-0.886) 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= -0.12 K(o=-0.12,f=-2.1!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.848 -0.471 -3.375 1.00 54.22 N ATOM 2 CA MET A 1 2.347 0.265 -4.531 1.00 62.20 C ATOM 3 C MET A 1 3.338 -0.580 -5.326 1.00 51.41 C ATOM 4 O MET A 1 4.461 -0.151 -5.590 1.00 44.23 O ATOM 5 CB MET A 1 3.013 1.568 -4.084 1.00 61.33 C ATOM 6 CG MET A 1 2.029 2.613 -3.585 1.00 51.34 C ATOM 7 SD MET A 1 2.089 2.826 -1.796 1.00 3.20 S ATOM 8 CE MET A 1 3.405 4.032 -1.643 1.00 23.54 C ATOM 0 H1 MET A 1 1.176 0.123 -2.849 1.00 54.22 H new ATOM 0 H2 MET A 1 1.368 -1.337 -3.695 1.00 54.22 H new ATOM 0 H3 MET A 1 2.644 -0.725 -2.755 1.00 54.22 H new ATOM 0 HA MET A 1 1.499 0.501 -5.174 1.00 62.20 H new ATOM 0 HB2 MET A 1 3.729 1.348 -3.292 1.00 61.33 H new ATOM 0 HB3 MET A 1 3.578 1.982 -4.919 1.00 61.33 H new ATOM 0 HG2 MET A 1 2.242 3.567 -4.068 1.00 51.34 H new ATOM 0 HG3 MET A 1 1.020 2.325 -3.879 1.00 51.34 H new ATOM 0 HE1 MET A 1 3.562 4.268 -0.590 1.00 23.54 H new ATOM 0 HE2 MET A 1 4.324 3.624 -2.064 1.00 23.54 H new ATOM 0 HE3 MET A 1 3.131 4.940 -2.181 1.00 23.54 H new ATOM 18 N ASP A 2 2.915 -1.781 -5.704 1.00 53.42 N ATOM 19 CA ASP A 2 3.765 -2.685 -6.470 1.00 12.20 C ATOM 20 C ASP A 2 5.003 -3.075 -5.669 1.00 43.03 C ATOM 21 O ASP A 2 5.336 -2.435 -4.671 1.00 41.24 O ATOM 22 CB ASP A 2 4.180 -2.033 -7.790 1.00 21.30 C ATOM 23 CG ASP A 2 3.007 -1.415 -8.525 1.00 10.24 C ATOM 24 OD1 ASP A 2 3.048 -0.194 -8.787 1.00 72.44 O ATOM 25 OD2 ASP A 2 2.048 -2.151 -8.837 1.00 64.24 O ATOM 0 H ASP A 2 1.988 -2.151 -5.492 1.00 53.42 H new ATOM 0 HA ASP A 2 3.194 -3.588 -6.684 1.00 12.20 H new ATOM 0 HB2 ASP A 2 4.927 -1.264 -7.593 1.00 21.30 H new ATOM 0 HB3 ASP A 2 4.652 -2.780 -8.428 1.00 21.30 H new ATOM 30 N ILE A 3 5.680 -4.129 -6.113 1.00 3.25 N ATOM 31 CA ILE A 3 6.881 -4.604 -5.437 1.00 45.30 C ATOM 32 C ILE A 3 8.095 -3.762 -5.817 1.00 61.33 C ATOM 33 O ILE A 3 8.070 -3.031 -6.807 1.00 45.41 O ATOM 34 CB ILE A 3 7.169 -6.079 -5.771 1.00 70.40 C ATOM 35 CG1 ILE A 3 5.860 -6.863 -5.887 1.00 20.23 C ATOM 36 CG2 ILE A 3 8.070 -6.696 -4.712 1.00 22.32 C ATOM 37 CD1 ILE A 3 5.412 -7.084 -7.315 1.00 1.04 C ATOM 0 H ILE A 3 5.417 -4.670 -6.937 1.00 3.25 H new ATOM 0 HA ILE A 3 6.698 -4.512 -4.366 1.00 45.30 H new ATOM 0 HB ILE A 3 7.685 -6.125 -6.730 1.00 70.40 H new ATOM 0 HG12 ILE A 3 5.981 -7.830 -5.399 1.00 20.23 H new ATOM 0 HG13 ILE A 3 5.077 -6.329 -5.348 1.00 20.23 H new ATOM 0 HG21 ILE A 3 8.264 -7.739 -4.962 1.00 22.32 H new ATOM 0 HG22 ILE A 3 9.013 -6.150 -4.674 1.00 22.32 H new ATOM 0 HG23 ILE A 3 7.579 -6.642 -3.740 1.00 22.32 H new ATOM 0 HD11 ILE A 3 4.478 -7.646 -7.320 1.00 1.04 H new ATOM 0 HD12 ILE A 3 5.259 -6.121 -7.801 1.00 1.04 H new ATOM 0 HD13 ILE A 3 6.176 -7.645 -7.853 1.00 1.04 H new ATOM 49 N ASP A 4 9.156 -3.873 -5.026 1.00 1.13 N ATOM 50 CA ASP A 4 10.382 -3.125 -5.281 1.00 15.55 C ATOM 51 C ASP A 4 11.192 -3.774 -6.398 1.00 5.14 C ATOM 52 O ASP A 4 12.203 -3.229 -6.843 1.00 54.11 O ATOM 53 CB ASP A 4 11.224 -3.035 -4.007 1.00 61.42 C ATOM 54 CG ASP A 4 10.557 -2.205 -2.928 1.00 72.52 C ATOM 55 OD1 ASP A 4 10.023 -2.799 -1.967 1.00 61.15 O ATOM 56 OD2 ASP A 4 10.569 -0.962 -3.044 1.00 32.30 O ATOM 0 H ASP A 4 9.192 -4.474 -4.203 1.00 1.13 H new ATOM 0 HA ASP A 4 10.106 -2.119 -5.596 1.00 15.55 H new ATOM 0 HB2 ASP A 4 11.409 -4.039 -3.626 1.00 61.42 H new ATOM 0 HB3 ASP A 4 12.195 -2.601 -4.247 1.00 61.42 H new ATOM 61 N PHE A 5 10.744 -4.942 -6.845 1.00 70.02 N ATOM 62 CA PHE A 5 11.429 -5.667 -7.909 1.00 30.21 C ATOM 63 C PHE A 5 11.387 -4.882 -9.217 1.00 32.33 C ATOM 64 O PHE A 5 12.140 -5.166 -10.148 1.00 73.42 O ATOM 65 CB PHE A 5 10.794 -7.045 -8.107 1.00 15.10 C ATOM 66 CG PHE A 5 11.385 -7.819 -9.250 1.00 52.13 C ATOM 67 CD1 PHE A 5 12.759 -7.919 -9.399 1.00 74.52 C ATOM 68 CD2 PHE A 5 10.567 -8.446 -10.177 1.00 13.44 C ATOM 69 CE1 PHE A 5 13.306 -8.631 -10.450 1.00 61.31 C ATOM 70 CE2 PHE A 5 11.108 -9.159 -11.229 1.00 63.00 C ATOM 71 CZ PHE A 5 12.480 -9.251 -11.367 1.00 34.03 C ATOM 0 H PHE A 5 9.910 -5.407 -6.487 1.00 70.02 H new ATOM 0 HA PHE A 5 12.471 -5.794 -7.615 1.00 30.21 H new ATOM 0 HB2 PHE A 5 10.907 -7.623 -7.190 1.00 15.10 H new ATOM 0 HB3 PHE A 5 9.724 -6.922 -8.276 1.00 15.10 H new ATOM 0 HD1 PHE A 5 13.410 -7.435 -8.686 1.00 74.52 H new ATOM 0 HD2 PHE A 5 9.494 -8.376 -10.075 1.00 13.44 H new ATOM 0 HE1 PHE A 5 14.379 -8.702 -10.554 1.00 61.31 H new ATOM 0 HE2 PHE A 5 10.459 -9.644 -11.943 1.00 63.00 H new ATOM 0 HZ PHE A 5 12.905 -9.806 -12.190 1.00 34.03 H new ATOM 81 N SER A 6 10.500 -3.894 -9.278 1.00 42.14 N ATOM 82 CA SER A 6 10.356 -3.070 -10.473 1.00 33.20 C ATOM 83 C SER A 6 9.897 -1.661 -10.109 1.00 65.21 C ATOM 84 O SER A 6 8.728 -1.437 -9.797 1.00 14.44 O ATOM 85 CB SER A 6 9.358 -3.709 -11.441 1.00 41.01 C ATOM 86 OG SER A 6 8.047 -3.696 -10.904 1.00 54.34 O ATOM 0 H SER A 6 9.871 -3.645 -8.515 1.00 42.14 H new ATOM 0 HA SER A 6 11.330 -3.003 -10.958 1.00 33.20 H new ATOM 0 HB2 SER A 6 9.371 -3.172 -12.389 1.00 41.01 H new ATOM 0 HB3 SER A 6 9.658 -4.735 -11.652 1.00 41.01 H new ATOM 0 HG SER A 6 7.930 -2.898 -10.347 1.00 54.34 H new ATOM 92 N THR A 7 10.829 -0.713 -10.152 1.00 33.34 N ATOM 93 CA THR A 7 10.523 0.674 -9.826 1.00 32.13 C ATOM 94 C THR A 7 11.445 1.630 -10.573 1.00 11.51 C ATOM 95 O THR A 7 11.589 2.793 -10.194 1.00 52.32 O ATOM 96 CB THR A 7 10.647 0.936 -8.313 1.00 12.01 C ATOM 97 OG1 THR A 7 11.659 0.093 -7.751 1.00 32.00 O ATOM 98 CG2 THR A 7 9.322 0.684 -7.610 1.00 13.14 C ATOM 0 H THR A 7 11.802 -0.881 -10.409 1.00 33.34 H new ATOM 0 HA THR A 7 9.493 0.852 -10.135 1.00 32.13 H new ATOM 0 HB THR A 7 10.924 1.980 -8.169 1.00 12.01 H new ATOM 0 HG1 THR A 7 11.733 0.267 -6.789 1.00 32.00 H new ATOM 0 HG21 THR A 7 9.434 0.875 -6.543 1.00 13.14 H new ATOM 0 HG22 THR A 7 8.561 1.348 -8.020 1.00 13.14 H new ATOM 0 HG23 THR A 7 9.020 -0.352 -7.763 1.00 13.14 H new ATOM 106 N CYS A 8 12.068 1.135 -11.637 1.00 33.42 N ATOM 107 CA CYS A 8 12.976 1.945 -12.438 1.00 44.15 C ATOM 108 C CYS A 8 12.737 1.718 -13.928 1.00 40.34 C ATOM 109 O CYS A 8 12.184 0.695 -14.330 1.00 30.11 O ATOM 110 CB CYS A 8 14.429 1.617 -12.088 1.00 42.34 C ATOM 111 SG CYS A 8 15.600 2.971 -12.429 1.00 33.01 S ATOM 0 H CYS A 8 11.960 0.175 -11.964 1.00 33.42 H new ATOM 0 HA CYS A 8 12.782 2.994 -12.212 1.00 44.15 H new ATOM 0 HB2 CYS A 8 14.487 1.358 -11.031 1.00 42.34 H new ATOM 0 HB3 CYS A 8 14.737 0.735 -12.650 1.00 42.34 H new ATOM 116 N ALA A 9 13.158 2.680 -14.743 1.00 11.52 N ATOM 117 CA ALA A 9 12.992 2.585 -16.188 1.00 12.22 C ATOM 118 C ALA A 9 13.914 1.523 -16.778 1.00 11.44 C ATOM 119 O ALA A 9 13.764 1.131 -17.935 1.00 35.44 O ATOM 120 CB ALA A 9 13.253 3.935 -16.839 1.00 45.03 C ATOM 0 H ALA A 9 13.617 3.534 -14.427 1.00 11.52 H new ATOM 0 HA ALA A 9 11.963 2.289 -16.392 1.00 12.22 H new ATOM 0 HB1 ALA A 9 13.126 3.849 -17.918 1.00 45.03 H new ATOM 0 HB2 ALA A 9 12.549 4.670 -16.448 1.00 45.03 H new ATOM 0 HB3 ALA A 9 14.271 4.255 -16.618 1.00 45.03 H new ATOM 126 N ARG A 10 14.868 1.063 -15.975 1.00 43.43 N ATOM 127 CA ARG A 10 15.816 0.048 -16.419 1.00 50.31 C ATOM 128 C ARG A 10 15.323 -1.350 -16.058 1.00 65.12 C ATOM 129 O ARG A 10 16.117 -2.279 -15.910 1.00 31.03 O ATOM 130 CB ARG A 10 17.190 0.294 -15.793 1.00 11.22 C ATOM 131 CG ARG A 10 17.662 1.734 -15.907 1.00 45.21 C ATOM 132 CD ARG A 10 17.842 2.148 -17.359 1.00 64.14 C ATOM 133 NE ARG A 10 19.187 2.653 -17.622 1.00 63.21 N ATOM 134 CZ ARG A 10 19.637 3.817 -17.168 1.00 11.33 C ATOM 135 NH1 ARG A 10 18.853 4.593 -16.431 1.00 71.34 N ATOM 136 NH2 ARG A 10 20.873 4.208 -17.449 1.00 63.01 N ATOM 0 H ARG A 10 15.005 1.377 -15.014 1.00 43.43 H new ATOM 0 HA ARG A 10 15.902 0.116 -17.504 1.00 50.31 H new ATOM 0 HB2 ARG A 10 17.156 0.014 -14.740 1.00 11.22 H new ATOM 0 HB3 ARG A 10 17.920 -0.358 -16.272 1.00 11.22 H new ATOM 0 HG2 ARG A 10 16.940 2.394 -15.426 1.00 45.21 H new ATOM 0 HG3 ARG A 10 18.606 1.852 -15.374 1.00 45.21 H new ATOM 0 HD2 ARG A 10 17.642 1.294 -18.007 1.00 64.14 H new ATOM 0 HD3 ARG A 10 17.111 2.916 -17.610 1.00 64.14 H new ATOM 0 HE ARG A 10 19.815 2.080 -18.185 1.00 63.21 H new ATOM 0 HH11 ARG A 10 17.902 4.296 -16.212 1.00 71.34 H new ATOM 0 HH12 ARG A 10 19.201 5.487 -16.084 1.00 71.34 H new ATOM 0 HH21 ARG A 10 21.480 3.614 -18.015 1.00 63.01 H new ATOM 0 HH22 ARG A 10 21.217 5.102 -17.099 1.00 63.01 H new ATOM 150 N MET A 11 14.009 -1.491 -15.918 1.00 64.23 N ATOM 151 CA MET A 11 13.411 -2.776 -15.575 1.00 65.45 C ATOM 152 C MET A 11 13.212 -3.633 -16.822 1.00 22.02 C ATOM 153 O MET A 11 13.896 -4.639 -17.011 1.00 31.34 O ATOM 154 CB MET A 11 12.072 -2.567 -14.867 1.00 11.03 C ATOM 155 CG MET A 11 12.051 -3.091 -13.440 1.00 72.10 C ATOM 156 SD MET A 11 11.900 -4.886 -13.362 1.00 34.14 S ATOM 157 CE MET A 11 10.313 -5.127 -14.157 1.00 61.33 C ATOM 0 H MET A 11 13.338 -0.732 -16.037 1.00 64.23 H new ATOM 0 HA MET A 11 14.092 -3.297 -14.902 1.00 65.45 H new ATOM 0 HB2 MET A 11 11.837 -1.503 -14.858 1.00 11.03 H new ATOM 0 HB3 MET A 11 11.287 -3.062 -15.439 1.00 11.03 H new ATOM 0 HG2 MET A 11 12.965 -2.785 -12.931 1.00 72.10 H new ATOM 0 HG3 MET A 11 11.219 -2.636 -12.902 1.00 72.10 H new ATOM 0 HE1 MET A 11 9.714 -5.824 -13.571 1.00 61.33 H new ATOM 0 HE2 MET A 11 9.792 -4.172 -14.227 1.00 61.33 H new ATOM 0 HE3 MET A 11 10.465 -5.532 -15.158 1.00 61.33 H new ATOM 167 N ASP A 12 12.272 -3.228 -17.668 1.00 42.25 N ATOM 168 CA ASP A 12 11.984 -3.958 -18.897 1.00 73.23 C ATOM 169 C ASP A 12 11.337 -3.044 -19.933 1.00 72.44 C ATOM 170 O ASP A 12 11.636 -3.130 -21.125 1.00 13.44 O ATOM 171 CB ASP A 12 11.068 -5.148 -18.606 1.00 12.14 C ATOM 172 CG ASP A 12 11.479 -6.394 -19.364 1.00 74.53 C ATOM 173 OD1 ASP A 12 10.610 -6.999 -20.028 1.00 30.03 O ATOM 174 OD2 ASP A 12 12.669 -6.765 -19.295 1.00 70.14 O ATOM 0 H ASP A 12 11.696 -2.398 -17.526 1.00 42.25 H new ATOM 0 HA ASP A 12 12.927 -4.326 -19.301 1.00 73.23 H new ATOM 0 HB2 ASP A 12 11.078 -5.357 -17.536 1.00 12.14 H new ATOM 0 HB3 ASP A 12 10.043 -4.887 -18.870 1.00 12.14 H new ATOM 179 N VAL A 13 10.448 -2.171 -19.472 1.00 13.43 N ATOM 180 CA VAL A 13 9.758 -1.241 -20.358 1.00 41.20 C ATOM 181 C VAL A 13 10.200 0.195 -20.100 1.00 4.13 C ATOM 182 O VAL A 13 9.507 0.977 -19.449 1.00 53.35 O ATOM 183 CB VAL A 13 8.230 -1.334 -20.190 1.00 11.32 C ATOM 184 CG1 VAL A 13 7.696 -2.599 -20.845 1.00 4.40 C ATOM 185 CG2 VAL A 13 7.853 -1.286 -18.717 1.00 34.41 C ATOM 0 H VAL A 13 10.188 -2.088 -18.489 1.00 13.43 H new ATOM 0 HA VAL A 13 10.022 -1.522 -21.378 1.00 41.20 H new ATOM 0 HB VAL A 13 7.774 -0.477 -20.687 1.00 11.32 H new ATOM 0 HG11 VAL A 13 6.615 -2.647 -20.716 1.00 4.40 H new ATOM 0 HG12 VAL A 13 7.934 -2.586 -21.909 1.00 4.40 H new ATOM 0 HG13 VAL A 13 8.156 -3.471 -20.381 1.00 4.40 H new ATOM 0 HG21 VAL A 13 6.770 -1.353 -18.616 1.00 34.41 H new ATOM 0 HG22 VAL A 13 8.318 -2.122 -18.195 1.00 34.41 H new ATOM 0 HG23 VAL A 13 8.201 -0.349 -18.283 1.00 34.41 H new ATOM 195 N PRO A 14 11.384 0.553 -20.621 1.00 35.42 N ATOM 196 CA PRO A 14 11.945 1.897 -20.461 1.00 2.12 C ATOM 197 C PRO A 14 11.170 2.947 -21.249 1.00 70.05 C ATOM 198 O PRO A 14 11.415 4.146 -21.113 1.00 24.24 O ATOM 199 CB PRO A 14 13.366 1.756 -21.012 1.00 23.21 C ATOM 200 CG PRO A 14 13.290 0.617 -21.969 1.00 31.41 C ATOM 201 CD PRO A 14 12.264 -0.328 -21.407 1.00 73.10 C ATOM 0 HA PRO A 14 11.906 2.234 -19.425 1.00 2.12 H new ATOM 0 HB2 PRO A 14 13.690 2.670 -21.509 1.00 23.21 H new ATOM 0 HB3 PRO A 14 14.082 1.556 -20.215 1.00 23.21 H new ATOM 0 HG2 PRO A 14 13.001 0.961 -22.962 1.00 31.41 H new ATOM 0 HG3 PRO A 14 14.258 0.127 -22.070 1.00 31.41 H new ATOM 0 HD2 PRO A 14 11.716 -0.843 -22.197 1.00 73.10 H new ATOM 0 HD3 PRO A 14 12.723 -1.096 -20.785 1.00 73.10 H new ATOM 209 N ILE A 15 10.234 2.489 -22.074 1.00 10.01 N ATOM 210 CA ILE A 15 9.422 3.390 -22.883 1.00 21.32 C ATOM 211 C ILE A 15 8.802 4.489 -22.027 1.00 34.31 C ATOM 212 O ILE A 15 8.574 5.604 -22.498 1.00 71.21 O ATOM 213 CB ILE A 15 8.300 2.631 -23.616 1.00 65.13 C ATOM 214 CG1 ILE A 15 8.890 1.508 -24.473 1.00 11.24 C ATOM 215 CG2 ILE A 15 7.487 3.588 -24.475 1.00 2.01 C ATOM 216 CD1 ILE A 15 9.867 1.996 -25.519 1.00 70.03 C ATOM 0 H ILE A 15 10.019 1.500 -22.200 1.00 10.01 H new ATOM 0 HA ILE A 15 10.088 3.839 -23.620 1.00 21.32 H new ATOM 0 HB ILE A 15 7.637 2.187 -22.874 1.00 65.13 H new ATOM 0 HG12 ILE A 15 9.393 0.792 -23.823 1.00 11.24 H new ATOM 0 HG13 ILE A 15 8.078 0.974 -24.967 1.00 11.24 H new ATOM 0 HG21 ILE A 15 6.698 3.037 -24.987 1.00 2.01 H new ATOM 0 HG22 ILE A 15 7.042 4.356 -23.842 1.00 2.01 H new ATOM 0 HG23 ILE A 15 8.138 4.058 -25.212 1.00 2.01 H new ATOM 0 HD11 ILE A 15 10.245 1.147 -26.088 1.00 70.03 H new ATOM 0 HD12 ILE A 15 9.363 2.689 -26.193 1.00 70.03 H new ATOM 0 HD13 ILE A 15 10.699 2.504 -25.031 1.00 70.03 H new ATOM 228 N LEU A 16 8.532 4.168 -20.766 1.00 74.25 N ATOM 229 CA LEU A 16 7.939 5.129 -19.843 1.00 31.55 C ATOM 230 C LEU A 16 8.839 5.345 -18.630 1.00 72.41 C ATOM 231 O LEU A 16 8.538 4.883 -17.529 1.00 73.33 O ATOM 232 CB LEU A 16 6.560 4.646 -19.389 1.00 20.21 C ATOM 233 CG LEU A 16 5.596 4.228 -20.500 1.00 1.01 C ATOM 234 CD1 LEU A 16 5.434 2.716 -20.525 1.00 54.22 C ATOM 235 CD2 LEU A 16 4.247 4.908 -20.319 1.00 50.32 C ATOM 0 H LEU A 16 8.714 3.250 -20.360 1.00 74.25 H new ATOM 0 HA LEU A 16 7.830 6.079 -20.366 1.00 31.55 H new ATOM 0 HB2 LEU A 16 6.697 3.799 -18.717 1.00 20.21 H new ATOM 0 HB3 LEU A 16 6.091 5.441 -18.809 1.00 20.21 H new ATOM 0 HG LEU A 16 6.014 4.544 -21.456 1.00 1.01 H new ATOM 0 HD11 LEU A 16 4.745 2.437 -21.322 1.00 54.22 H new ATOM 0 HD12 LEU A 16 6.403 2.249 -20.703 1.00 54.22 H new ATOM 0 HD13 LEU A 16 5.038 2.377 -19.568 1.00 54.22 H new ATOM 0 HD21 LEU A 16 3.574 4.599 -21.118 1.00 50.32 H new ATOM 0 HD22 LEU A 16 3.822 4.623 -19.356 1.00 50.32 H new ATOM 0 HD23 LEU A 16 4.377 5.990 -20.352 1.00 50.32 H new ATOM 247 N LYS A 17 9.944 6.052 -18.839 1.00 23.41 N ATOM 248 CA LYS A 17 10.888 6.333 -17.763 1.00 54.13 C ATOM 249 C LYS A 17 10.250 7.220 -16.699 1.00 31.25 C ATOM 250 O LYS A 17 10.477 7.033 -15.503 1.00 11.21 O ATOM 251 CB LYS A 17 12.142 7.010 -18.321 1.00 71.43 C ATOM 252 CG LYS A 17 12.861 6.184 -19.374 1.00 51.22 C ATOM 253 CD LYS A 17 14.357 6.132 -19.116 1.00 44.51 C ATOM 254 CE LYS A 17 15.052 5.161 -20.058 1.00 21.44 C ATOM 255 NZ LYS A 17 16.230 5.781 -20.725 1.00 20.12 N ATOM 0 H LYS A 17 10.208 6.441 -19.744 1.00 23.41 H new ATOM 0 HA LYS A 17 11.168 5.386 -17.302 1.00 54.13 H new ATOM 0 HB2 LYS A 17 11.864 7.972 -18.753 1.00 71.43 H new ATOM 0 HB3 LYS A 17 12.829 7.216 -17.501 1.00 71.43 H new ATOM 0 HG2 LYS A 17 12.457 5.172 -19.382 1.00 51.22 H new ATOM 0 HG3 LYS A 17 12.676 6.609 -20.360 1.00 51.22 H new ATOM 0 HD2 LYS A 17 14.783 7.128 -19.239 1.00 44.51 H new ATOM 0 HD3 LYS A 17 14.539 5.832 -18.084 1.00 44.51 H new ATOM 0 HE2 LYS A 17 15.372 4.281 -19.500 1.00 21.44 H new ATOM 0 HE3 LYS A 17 14.345 4.820 -20.814 1.00 21.44 H new ATOM 0 HZ1 LYS A 17 16.676 5.087 -21.358 1.00 20.12 H new ATOM 0 HZ2 LYS A 17 15.921 6.606 -21.278 1.00 20.12 H new ATOM 0 HZ3 LYS A 17 16.917 6.084 -20.005 1.00 20.12 H new ATOM 269 N LYS A 18 9.450 8.184 -17.140 1.00 12.31 N ATOM 270 CA LYS A 18 8.776 9.099 -16.225 1.00 62.34 C ATOM 271 C LYS A 18 7.906 8.333 -15.234 1.00 12.42 C ATOM 272 O LYS A 18 7.804 8.707 -14.066 1.00 14.41 O ATOM 273 CB LYS A 18 7.920 10.096 -17.008 1.00 54.42 C ATOM 274 CG LYS A 18 8.059 11.529 -16.524 1.00 0.24 C ATOM 275 CD LYS A 18 9.364 12.151 -16.991 1.00 41.41 C ATOM 276 CE LYS A 18 9.186 13.619 -17.347 1.00 54.34 C ATOM 277 NZ LYS A 18 10.076 14.030 -18.468 1.00 2.43 N ATOM 0 H LYS A 18 9.252 8.353 -18.126 1.00 12.31 H new ATOM 0 HA LYS A 18 9.538 9.644 -15.667 1.00 62.34 H new ATOM 0 HB2 LYS A 18 8.195 10.049 -18.062 1.00 54.42 H new ATOM 0 HB3 LYS A 18 6.874 9.798 -16.938 1.00 54.42 H new ATOM 0 HG2 LYS A 18 7.221 12.121 -16.891 1.00 0.24 H new ATOM 0 HG3 LYS A 18 8.013 11.552 -15.435 1.00 0.24 H new ATOM 0 HD2 LYS A 18 10.115 12.054 -16.207 1.00 41.41 H new ATOM 0 HD3 LYS A 18 9.737 11.608 -17.859 1.00 41.41 H new ATOM 0 HE2 LYS A 18 8.147 13.803 -17.622 1.00 54.34 H new ATOM 0 HE3 LYS A 18 9.397 14.233 -16.472 1.00 54.34 H new ATOM 0 HZ1 LYS A 18 9.925 15.037 -18.680 1.00 2.43 H new ATOM 0 HZ2 LYS A 18 11.069 13.879 -18.197 1.00 2.43 H new ATOM 0 HZ3 LYS A 18 9.857 13.462 -19.311 1.00 2.43 H new ATOM 291 N ALA A 19 7.282 7.260 -15.707 1.00 74.20 N ATOM 292 CA ALA A 19 6.423 6.440 -14.861 1.00 2.32 C ATOM 293 C ALA A 19 7.246 5.629 -13.866 1.00 22.01 C ATOM 294 O ALA A 19 6.923 5.571 -12.680 1.00 1.41 O ATOM 295 CB ALA A 19 5.565 5.518 -15.715 1.00 3.43 C ATOM 0 H ALA A 19 7.355 6.938 -16.672 1.00 74.20 H new ATOM 0 HA ALA A 19 5.770 7.105 -14.296 1.00 2.32 H new ATOM 0 HB1 ALA A 19 4.929 4.912 -15.070 1.00 3.43 H new ATOM 0 HB2 ALA A 19 4.942 6.115 -16.382 1.00 3.43 H new ATOM 0 HB3 ALA A 19 6.208 4.866 -16.306 1.00 3.43 H new ATOM 301 N ALA A 20 8.311 5.003 -14.357 1.00 73.11 N ATOM 302 CA ALA A 20 9.180 4.196 -13.510 1.00 65.05 C ATOM 303 C ALA A 20 9.865 5.053 -12.451 1.00 41.44 C ATOM 304 O ALA A 20 9.905 4.689 -11.277 1.00 14.45 O ATOM 305 CB ALA A 20 10.217 3.472 -14.357 1.00 31.21 C ATOM 0 H ALA A 20 8.592 5.040 -15.337 1.00 73.11 H new ATOM 0 HA ALA A 20 8.563 3.457 -12.998 1.00 65.05 H new ATOM 0 HB1 ALA A 20 10.860 2.873 -13.712 1.00 31.21 H new ATOM 0 HB2 ALA A 20 9.713 2.822 -15.072 1.00 31.21 H new ATOM 0 HB3 ALA A 20 10.822 4.202 -14.894 1.00 31.21 H new ATOM 311 N GLN A 21 10.403 6.192 -12.876 1.00 2.22 N ATOM 312 CA GLN A 21 11.088 7.100 -11.963 1.00 15.02 C ATOM 313 C GLN A 21 10.110 7.699 -10.957 1.00 43.50 C ATOM 314 O GLN A 21 10.482 8.014 -9.827 1.00 73.31 O ATOM 315 CB GLN A 21 11.782 8.216 -12.745 1.00 54.41 C ATOM 316 CG GLN A 21 13.285 8.030 -12.867 1.00 24.22 C ATOM 317 CD GLN A 21 13.888 8.858 -13.985 1.00 14.14 C ATOM 318 OE1 GLN A 21 13.545 10.028 -14.160 1.00 21.30 O ATOM 319 NE2 GLN A 21 14.791 8.255 -14.748 1.00 71.43 N ATOM 0 H GLN A 21 10.378 6.508 -13.846 1.00 2.22 H new ATOM 0 HA GLN A 21 11.839 6.529 -11.417 1.00 15.02 H new ATOM 0 HB2 GLN A 21 11.349 8.272 -13.744 1.00 54.41 H new ATOM 0 HB3 GLN A 21 11.581 9.170 -12.257 1.00 54.41 H new ATOM 0 HG2 GLN A 21 13.758 8.301 -11.923 1.00 24.22 H new ATOM 0 HG3 GLN A 21 13.504 6.977 -13.042 1.00 24.22 H new ATOM 0 HE21 GLN A 21 15.045 7.284 -14.567 1.00 71.43 H new ATOM 0 HE22 GLN A 21 15.231 8.763 -15.516 1.00 71.43 H new ATOM 328 N GLY A 22 8.858 7.856 -11.376 1.00 62.44 N ATOM 329 CA GLY A 22 7.847 8.418 -10.500 1.00 60.42 C ATOM 330 C GLY A 22 7.733 7.665 -9.189 1.00 40.41 C ATOM 331 O GLY A 22 7.370 8.242 -8.163 1.00 42.41 O ATOM 0 H GLY A 22 8.526 7.604 -12.307 1.00 62.44 H new ATOM 0 HA2 GLY A 22 8.086 9.462 -10.296 1.00 60.42 H new ATOM 0 HA3 GLY A 22 6.883 8.405 -11.008 1.00 60.42 H new ATOM 335 N LEU A 23 8.042 6.374 -9.221 1.00 75.34 N ATOM 336 CA LEU A 23 7.970 5.540 -8.026 1.00 44.03 C ATOM 337 C LEU A 23 9.114 5.861 -7.070 1.00 23.23 C ATOM 338 O LEU A 23 9.261 5.225 -6.025 1.00 41.51 O ATOM 339 CB LEU A 23 8.011 4.060 -8.410 1.00 61.20 C ATOM 340 CG LEU A 23 7.008 3.615 -9.475 1.00 23.40 C ATOM 341 CD1 LEU A 23 6.954 2.097 -9.556 1.00 32.13 C ATOM 342 CD2 LEU A 23 5.629 4.185 -9.180 1.00 34.32 C ATOM 0 H LEU A 23 8.345 5.881 -10.061 1.00 75.34 H new ATOM 0 HA LEU A 23 7.028 5.752 -7.521 1.00 44.03 H new ATOM 0 HB2 LEU A 23 9.015 3.825 -8.764 1.00 61.20 H new ATOM 0 HB3 LEU A 23 7.843 3.467 -7.511 1.00 61.20 H new ATOM 0 HG LEU A 23 7.338 3.998 -10.441 1.00 23.40 H new ATOM 0 HD11 LEU A 23 6.235 1.799 -10.319 1.00 32.13 H new ATOM 0 HD12 LEU A 23 7.940 1.711 -9.816 1.00 32.13 H new ATOM 0 HD13 LEU A 23 6.648 1.692 -8.591 1.00 32.13 H new ATOM 0 HD21 LEU A 23 4.928 3.858 -9.948 1.00 34.32 H new ATOM 0 HD22 LEU A 23 5.290 3.832 -8.206 1.00 34.32 H new ATOM 0 HD23 LEU A 23 5.679 5.274 -9.174 1.00 34.32 H new ATOM 354 N CYS A 24 9.922 6.852 -7.432 1.00 73.04 N ATOM 355 CA CYS A 24 11.052 7.259 -6.606 1.00 52.55 C ATOM 356 C CYS A 24 10.930 8.726 -6.204 1.00 3.41 C ATOM 357 O CYS A 24 11.016 9.065 -5.023 1.00 53.52 O ATOM 358 CB CYS A 24 12.366 7.032 -7.356 1.00 2.12 C ATOM 359 SG CYS A 24 13.520 5.906 -6.508 1.00 60.32 S ATOM 0 H CYS A 24 9.815 7.388 -8.293 1.00 73.04 H new ATOM 0 HA CYS A 24 11.048 6.651 -5.702 1.00 52.55 H new ATOM 0 HB2 CYS A 24 12.143 6.630 -8.344 1.00 2.12 H new ATOM 0 HB3 CYS A 24 12.857 7.993 -7.506 1.00 2.12 H new ATOM 364 N ILE A 25 10.731 9.591 -7.193 1.00 35.11 N ATOM 365 CA ILE A 25 10.596 11.020 -6.942 1.00 11.43 C ATOM 366 C ILE A 25 9.326 11.323 -6.154 1.00 31.13 C ATOM 367 O ILE A 25 9.352 12.067 -5.173 1.00 42.51 O ATOM 368 CB ILE A 25 10.575 11.823 -8.256 1.00 13.32 C ATOM 369 CG1 ILE A 25 11.872 11.601 -9.035 1.00 45.44 C ATOM 370 CG2 ILE A 25 10.369 13.303 -7.969 1.00 1.20 C ATOM 371 CD1 ILE A 25 11.781 10.489 -10.057 1.00 3.25 C ATOM 0 H ILE A 25 10.660 9.327 -8.176 1.00 35.11 H new ATOM 0 HA ILE A 25 11.465 11.320 -6.356 1.00 11.43 H new ATOM 0 HB ILE A 25 9.743 11.472 -8.866 1.00 13.32 H new ATOM 0 HG12 ILE A 25 12.145 12.527 -9.541 1.00 45.44 H new ATOM 0 HG13 ILE A 25 12.674 11.373 -8.333 1.00 45.44 H new ATOM 0 HG21 ILE A 25 10.356 13.857 -8.907 1.00 1.20 H new ATOM 0 HG22 ILE A 25 9.420 13.445 -7.451 1.00 1.20 H new ATOM 0 HG23 ILE A 25 11.182 13.669 -7.342 1.00 1.20 H new ATOM 0 HD11 ILE A 25 12.737 10.388 -10.571 1.00 3.25 H new ATOM 0 HD12 ILE A 25 11.538 9.552 -9.555 1.00 3.25 H new ATOM 0 HD13 ILE A 25 11.002 10.724 -10.782 1.00 3.25 H new ATOM 383 N THR A 26 8.213 10.739 -6.588 1.00 23.32 N ATOM 384 CA THR A 26 6.933 10.945 -5.923 1.00 74.33 C ATOM 385 C THR A 26 6.854 10.152 -4.624 1.00 10.15 C ATOM 386 O THR A 26 6.295 10.621 -3.632 1.00 44.41 O ATOM 387 CB THR A 26 5.757 10.538 -6.831 1.00 73.13 C ATOM 388 OG1 THR A 26 5.012 11.698 -7.217 1.00 52.24 O ATOM 389 CG2 THR A 26 4.840 9.554 -6.121 1.00 32.41 C ATOM 0 H THR A 26 8.173 10.120 -7.397 1.00 23.32 H new ATOM 0 HA THR A 26 6.860 12.010 -5.701 1.00 74.33 H new ATOM 0 HB THR A 26 6.164 10.055 -7.720 1.00 73.13 H new ATOM 0 HG1 THR A 26 4.267 11.431 -7.795 1.00 52.24 H new ATOM 0 HG21 THR A 26 4.017 9.281 -6.782 1.00 32.41 H new ATOM 0 HG22 THR A 26 5.403 8.659 -5.854 1.00 32.41 H new ATOM 0 HG23 THR A 26 4.442 10.015 -5.217 1.00 32.41 H new ATOM 397 N SER A 27 7.417 8.948 -4.635 1.00 5.33 N ATOM 398 CA SER A 27 7.408 8.089 -3.457 1.00 22.13 C ATOM 399 C SER A 27 8.114 8.765 -2.285 1.00 54.42 C ATOM 400 O SER A 27 7.758 8.554 -1.125 1.00 63.03 O ATOM 401 CB SER A 27 8.083 6.752 -3.770 1.00 35.25 C ATOM 402 OG SER A 27 7.561 5.715 -2.956 1.00 5.22 O ATOM 0 H SER A 27 7.885 8.545 -5.447 1.00 5.33 H new ATOM 0 HA SER A 27 6.370 7.908 -3.178 1.00 22.13 H new ATOM 0 HB2 SER A 27 7.935 6.503 -4.821 1.00 35.25 H new ATOM 0 HB3 SER A 27 9.158 6.837 -3.611 1.00 35.25 H new ATOM 0 HG SER A 27 7.886 4.849 -3.280 1.00 5.22 H new ATOM 408 N CYS A 28 9.116 9.580 -2.597 1.00 12.30 N ATOM 409 CA CYS A 28 9.873 10.289 -1.572 1.00 61.33 C ATOM 410 C CYS A 28 9.044 11.416 -0.965 1.00 13.40 C ATOM 411 O CYS A 28 9.019 11.596 0.253 1.00 55.25 O ATOM 412 CB CYS A 28 11.167 10.853 -2.163 1.00 55.32 C ATOM 413 SG CYS A 28 12.677 10.310 -1.302 1.00 31.40 S ATOM 0 H CYS A 28 9.423 9.766 -3.552 1.00 12.30 H new ATOM 0 HA CYS A 28 10.121 9.579 -0.783 1.00 61.33 H new ATOM 0 HB2 CYS A 28 11.234 10.559 -3.211 1.00 55.32 H new ATOM 0 HB3 CYS A 28 11.120 11.942 -2.140 1.00 55.32 H new ATOM 418 N SER A 29 8.366 12.173 -1.822 1.00 41.14 N ATOM 419 CA SER A 29 7.538 13.286 -1.371 1.00 63.44 C ATOM 420 C SER A 29 6.500 12.814 -0.358 1.00 2.25 C ATOM 421 O SER A 29 6.118 13.557 0.547 1.00 62.54 O ATOM 422 CB SER A 29 6.841 13.946 -2.563 1.00 22.24 C ATOM 423 OG SER A 29 6.632 15.328 -2.329 1.00 73.30 O ATOM 0 H SER A 29 8.374 12.036 -2.833 1.00 41.14 H new ATOM 0 HA SER A 29 8.186 14.017 -0.888 1.00 63.44 H new ATOM 0 HB2 SER A 29 7.445 13.813 -3.461 1.00 22.24 H new ATOM 0 HB3 SER A 29 5.885 13.456 -2.746 1.00 22.24 H new ATOM 0 HG SER A 29 6.187 15.728 -3.105 1.00 73.30 H new ATOM 429 N MET A 30 6.048 11.575 -0.516 1.00 22.52 N ATOM 430 CA MET A 30 5.055 11.003 0.386 1.00 21.31 C ATOM 431 C MET A 30 5.673 10.684 1.744 1.00 41.41 C ATOM 432 O MET A 30 4.961 10.483 2.727 1.00 22.12 O ATOM 433 CB MET A 30 4.452 9.735 -0.223 1.00 10.25 C ATOM 434 CG MET A 30 4.188 9.844 -1.716 1.00 4.14 C ATOM 435 SD MET A 30 2.584 9.170 -2.189 1.00 25.33 S ATOM 436 CE MET A 30 1.593 10.660 -2.242 1.00 13.34 C ATOM 0 H MET A 30 6.353 10.948 -1.260 1.00 22.52 H new ATOM 0 HA MET A 30 4.265 11.740 0.530 1.00 21.31 H new ATOM 0 HB2 MET A 30 5.127 8.898 -0.042 1.00 10.25 H new ATOM 0 HB3 MET A 30 3.516 9.506 0.287 1.00 10.25 H new ATOM 0 HG2 MET A 30 4.240 10.891 -2.015 1.00 4.14 H new ATOM 0 HG3 MET A 30 4.973 9.318 -2.259 1.00 4.14 H new ATOM 0 HE1 MET A 30 0.570 10.407 -2.521 1.00 13.34 H new ATOM 0 HE2 MET A 30 1.594 11.133 -1.260 1.00 13.34 H new ATOM 0 HE3 MET A 30 2.010 11.348 -2.977 1.00 13.34 H new ATOM 446 N GLN A 31 7.001 10.641 1.789 1.00 33.32 N ATOM 447 CA GLN A 31 7.713 10.346 3.027 1.00 60.32 C ATOM 448 C GLN A 31 8.385 11.598 3.580 1.00 45.04 C ATOM 449 O GLN A 31 9.307 11.513 4.391 1.00 75.14 O ATOM 450 CB GLN A 31 8.758 9.253 2.791 1.00 54.41 C ATOM 451 CG GLN A 31 8.405 8.310 1.652 1.00 32.03 C ATOM 452 CD GLN A 31 8.660 6.856 1.998 1.00 5.44 C ATOM 453 OE1 GLN A 31 9.565 6.222 1.262 1.00 63.21 O flip ATOM 454 NE2 GLN A 31 8.051 6.309 2.918 1.00 43.42 N flip ATOM 0 H GLN A 31 7.605 10.806 0.984 1.00 33.32 H new ATOM 0 HA GLN A 31 6.987 9.993 3.759 1.00 60.32 H new ATOM 0 HB2 GLN A 31 9.720 9.721 2.580 1.00 54.41 H new ATOM 0 HB3 GLN A 31 8.879 8.674 3.707 1.00 54.41 H new ATOM 0 HG2 GLN A 31 7.355 8.439 1.391 1.00 32.03 H new ATOM 0 HG3 GLN A 31 8.987 8.577 0.770 1.00 32.03 H new ATOM 0 HE21 GLN A 31 7.364 6.835 3.458 1.00 43.42 H new ATOM 0 HE22 GLN A 31 8.234 5.330 3.140 1.00 43.42 H new ATOM 463 N ASN A 32 7.919 12.760 3.134 1.00 35.03 N ATOM 464 CA ASN A 32 8.476 14.030 3.584 1.00 12.51 C ATOM 465 C ASN A 32 9.922 14.184 3.123 1.00 70.21 C ATOM 466 O ASN A 32 10.773 14.675 3.865 1.00 41.10 O ATOM 467 CB ASN A 32 8.401 14.133 5.109 1.00 63.41 C ATOM 468 CG ASN A 32 7.980 15.513 5.576 1.00 23.51 C ATOM 469 OD1 ASN A 32 8.819 16.350 5.908 1.00 40.42 O ATOM 470 ND2 ASN A 32 6.675 15.755 5.604 1.00 31.32 N ATOM 0 H ASN A 32 7.157 12.848 2.461 1.00 35.03 H new ATOM 0 HA ASN A 32 7.885 14.833 3.143 1.00 12.51 H new ATOM 0 HB2 ASN A 32 7.694 13.394 5.486 1.00 63.41 H new ATOM 0 HB3 ASN A 32 9.374 13.890 5.535 1.00 63.41 H new ATOM 0 HD21 ASN A 32 6.332 16.665 5.910 1.00 31.32 H new ATOM 0 HD22 ASN A 32 6.016 15.031 5.320 1.00 31.32 H new ATOM 477 N CYS A 33 10.193 13.761 1.893 1.00 70.42 N ATOM 478 CA CYS A 33 11.535 13.850 1.331 1.00 3.41 C ATOM 479 C CYS A 33 11.614 14.957 0.284 1.00 52.42 C ATOM 480 O CYS A 33 10.674 15.733 0.114 1.00 43.25 O ATOM 481 CB CYS A 33 11.940 12.513 0.707 1.00 1.32 C ATOM 482 SG CYS A 33 12.138 11.161 1.911 1.00 25.33 S ATOM 0 H CYS A 33 9.500 13.353 1.266 1.00 70.42 H new ATOM 0 HA CYS A 33 12.225 14.089 2.140 1.00 3.41 H new ATOM 0 HB2 CYS A 33 11.188 12.224 -0.027 1.00 1.32 H new ATOM 0 HB3 CYS A 33 12.878 12.645 0.168 1.00 1.32 H new ATOM 487 N GLY A 34 12.742 15.023 -0.416 1.00 44.52 N ATOM 488 CA GLY A 34 12.923 16.038 -1.438 1.00 42.00 C ATOM 489 C GLY A 34 12.890 15.462 -2.840 1.00 34.34 C ATOM 490 O GLY A 34 12.069 15.863 -3.665 1.00 75.12 O ATOM 0 H GLY A 34 13.534 14.392 -0.294 1.00 44.52 H new ATOM 0 HA2 GLY A 34 12.142 16.791 -1.340 1.00 42.00 H new ATOM 0 HA3 GLY A 34 13.875 16.544 -1.279 1.00 42.00 H new ATOM 494 N THR A 35 13.786 14.518 -3.112 1.00 34.04 N ATOM 495 CA THR A 35 13.857 13.888 -4.424 1.00 24.54 C ATOM 496 C THR A 35 14.275 12.426 -4.309 1.00 74.21 C ATOM 497 O THR A 35 14.482 11.914 -3.210 1.00 31.50 O ATOM 498 CB THR A 35 14.849 14.622 -5.346 1.00 74.32 C ATOM 499 OG1 THR A 35 14.677 14.183 -6.698 1.00 72.52 O ATOM 500 CG2 THR A 35 16.283 14.374 -4.906 1.00 23.25 C ATOM 0 H THR A 35 14.472 14.173 -2.441 1.00 34.04 H new ATOM 0 HA THR A 35 12.858 13.945 -4.857 1.00 24.54 H new ATOM 0 HB THR A 35 14.647 15.691 -5.282 1.00 74.32 H new ATOM 0 HG1 THR A 35 15.310 14.655 -7.278 1.00 72.52 H new ATOM 0 HG21 THR A 35 16.965 14.903 -5.572 1.00 23.25 H new ATOM 0 HG22 THR A 35 16.419 14.736 -3.887 1.00 23.25 H new ATOM 0 HG23 THR A 35 16.495 13.306 -4.943 1.00 23.25 H new ATOM 508 N GLY A 36 14.397 11.759 -5.453 1.00 32.53 N ATOM 509 CA GLY A 36 14.790 10.361 -5.458 1.00 53.51 C ATOM 510 C GLY A 36 15.098 9.851 -6.852 1.00 10.32 C ATOM 511 O GLY A 36 14.304 10.029 -7.775 1.00 53.31 O ATOM 0 H GLY A 36 14.231 12.161 -6.376 1.00 32.53 H new ATOM 0 HA2 GLY A 36 15.668 10.231 -4.825 1.00 53.51 H new ATOM 0 HA3 GLY A 36 13.991 9.761 -5.023 1.00 53.51 H new ATOM 515 N SER A 37 16.256 9.216 -7.005 1.00 54.32 N ATOM 516 CA SER A 37 16.670 8.684 -8.298 1.00 33.51 C ATOM 517 C SER A 37 16.884 7.175 -8.220 1.00 42.02 C ATOM 518 O SER A 37 17.340 6.652 -7.203 1.00 5.52 O ATOM 519 CB SER A 37 17.954 9.369 -8.768 1.00 51.22 C ATOM 520 OG SER A 37 17.960 9.529 -10.176 1.00 43.52 O ATOM 0 H SER A 37 16.923 9.058 -6.250 1.00 54.32 H new ATOM 0 HA SER A 37 15.876 8.885 -9.017 1.00 33.51 H new ATOM 0 HB2 SER A 37 18.047 10.343 -8.288 1.00 51.22 H new ATOM 0 HB3 SER A 37 18.818 8.779 -8.462 1.00 51.22 H new ATOM 0 HG SER A 37 18.790 9.971 -10.451 1.00 43.52 H new ATOM 526 N CYS A 38 16.552 6.480 -9.303 1.00 13.01 N ATOM 527 CA CYS A 38 16.707 5.032 -9.360 1.00 35.53 C ATOM 528 C CYS A 38 17.784 4.639 -10.367 1.00 34.32 C ATOM 529 O CYS A 38 17.899 5.239 -11.436 1.00 21.04 O ATOM 530 CB CYS A 38 15.378 4.370 -9.733 1.00 24.02 C ATOM 531 SG CYS A 38 14.870 4.645 -11.460 1.00 41.04 S ATOM 0 H CYS A 38 16.174 6.897 -10.153 1.00 13.01 H new ATOM 0 HA CYS A 38 17.014 4.685 -8.373 1.00 35.53 H new ATOM 0 HB2 CYS A 38 15.456 3.297 -9.555 1.00 24.02 H new ATOM 0 HB3 CYS A 38 14.598 4.747 -9.072 1.00 24.02 H new ATOM 536 N LYS A 39 18.570 3.626 -10.018 1.00 45.34 N ATOM 537 CA LYS A 39 19.638 3.151 -10.891 1.00 34.43 C ATOM 538 C LYS A 39 19.807 1.640 -10.769 1.00 74.54 C ATOM 539 O LYS A 39 19.484 1.049 -9.739 1.00 35.15 O ATOM 540 CB LYS A 39 20.955 3.851 -10.548 1.00 75.13 C ATOM 541 CG LYS A 39 20.820 5.355 -10.388 1.00 13.30 C ATOM 542 CD LYS A 39 22.136 5.992 -9.975 1.00 41.33 C ATOM 543 CE LYS A 39 22.146 7.486 -10.260 1.00 13.40 C ATOM 544 NZ LYS A 39 23.462 7.943 -10.785 1.00 25.51 N ATOM 0 H LYS A 39 18.488 3.118 -9.137 1.00 45.34 H new ATOM 0 HA LYS A 39 19.365 3.388 -11.919 1.00 34.43 H new ATOM 0 HB2 LYS A 39 21.351 3.430 -9.624 1.00 75.13 H new ATOM 0 HB3 LYS A 39 21.683 3.641 -11.331 1.00 75.13 H new ATOM 0 HG2 LYS A 39 20.482 5.793 -11.327 1.00 13.30 H new ATOM 0 HG3 LYS A 39 20.058 5.575 -9.641 1.00 13.30 H new ATOM 0 HD2 LYS A 39 22.306 5.822 -8.912 1.00 41.33 H new ATOM 0 HD3 LYS A 39 22.957 5.513 -10.509 1.00 41.33 H new ATOM 0 HE2 LYS A 39 21.365 7.723 -10.983 1.00 13.40 H new ATOM 0 HE3 LYS A 39 21.911 8.031 -9.346 1.00 13.40 H new ATOM 0 HZ1 LYS A 39 23.427 8.966 -10.966 1.00 25.51 H new ATOM 0 HZ2 LYS A 39 24.204 7.741 -10.085 1.00 25.51 H new ATOM 0 HZ3 LYS A 39 23.675 7.442 -11.671 1.00 25.51 H new ATOM 558 N LYS A 40 20.316 1.019 -11.828 1.00 21.10 N ATOM 559 CA LYS A 40 20.531 -0.423 -11.840 1.00 22.21 C ATOM 560 C LYS A 40 21.696 -0.807 -10.933 1.00 33.13 C ATOM 561 O LYS A 40 22.841 -0.434 -11.186 1.00 3.11 O ATOM 562 CB LYS A 40 20.801 -0.907 -13.266 1.00 71.53 C ATOM 563 CG LYS A 40 19.602 -1.573 -13.920 1.00 0.13 C ATOM 564 CD LYS A 40 19.222 -2.860 -13.208 1.00 22.43 C ATOM 565 CE LYS A 40 18.489 -3.815 -14.137 1.00 35.53 C ATOM 566 NZ LYS A 40 19.331 -4.218 -15.297 1.00 2.23 N ATOM 0 H LYS A 40 20.587 1.493 -12.690 1.00 21.10 H new ATOM 0 HA LYS A 40 19.627 -0.903 -11.465 1.00 22.21 H new ATOM 0 HB2 LYS A 40 21.112 -0.059 -13.876 1.00 71.53 H new ATOM 0 HB3 LYS A 40 21.633 -1.611 -13.250 1.00 71.53 H new ATOM 0 HG2 LYS A 40 18.754 -0.888 -13.912 1.00 0.13 H new ATOM 0 HG3 LYS A 40 19.828 -1.787 -14.964 1.00 0.13 H new ATOM 0 HD2 LYS A 40 20.120 -3.343 -12.823 1.00 22.43 H new ATOM 0 HD3 LYS A 40 18.591 -2.630 -12.350 1.00 22.43 H new ATOM 0 HE2 LYS A 40 18.188 -4.703 -13.581 1.00 35.53 H new ATOM 0 HE3 LYS A 40 17.576 -3.341 -14.498 1.00 35.53 H new ATOM 0 HZ1 LYS A 40 19.064 -5.175 -15.604 1.00 2.23 H new ATOM 0 HZ2 LYS A 40 19.185 -3.550 -16.081 1.00 2.23 H new ATOM 0 HZ3 LYS A 40 20.333 -4.211 -15.018 1.00 2.23 H new ATOM 580 N ARG A 41 21.395 -1.556 -9.876 1.00 42.53 N ATOM 581 CA ARG A 41 22.418 -1.990 -8.932 1.00 55.01 C ATOM 582 C ARG A 41 22.729 -3.473 -9.112 1.00 13.01 C ATOM 583 O ARG A 41 21.935 -4.334 -8.734 1.00 33.31 O ATOM 584 CB ARG A 41 21.962 -1.724 -7.496 1.00 52.02 C ATOM 585 CG ARG A 41 21.690 -0.257 -7.205 1.00 75.24 C ATOM 586 CD ARG A 41 22.961 0.573 -7.292 1.00 15.20 C ATOM 587 NE ARG A 41 23.918 0.219 -6.248 1.00 21.22 N ATOM 588 CZ ARG A 41 25.182 0.628 -6.240 1.00 71.41 C ATOM 589 NH1 ARG A 41 25.638 1.401 -7.216 1.00 12.35 N ATOM 590 NH2 ARG A 41 25.992 0.263 -5.255 1.00 25.11 N ATOM 0 H ARG A 41 20.452 -1.874 -9.653 1.00 42.53 H new ATOM 0 HA ARG A 41 23.325 -1.419 -9.129 1.00 55.01 H new ATOM 0 HB2 ARG A 41 21.057 -2.299 -7.299 1.00 52.02 H new ATOM 0 HB3 ARG A 41 22.726 -2.087 -6.808 1.00 52.02 H new ATOM 0 HG2 ARG A 41 20.955 0.125 -7.913 1.00 75.24 H new ATOM 0 HG3 ARG A 41 21.256 -0.157 -6.210 1.00 75.24 H new ATOM 0 HD2 ARG A 41 23.421 0.430 -8.270 1.00 15.20 H new ATOM 0 HD3 ARG A 41 22.710 1.630 -7.210 1.00 15.20 H new ATOM 0 HE ARG A 41 23.599 -0.375 -5.483 1.00 21.22 H new ATOM 0 HH11 ARG A 41 25.018 1.683 -7.975 1.00 12.35 H new ATOM 0 HH12 ARG A 41 26.609 1.714 -7.208 1.00 12.35 H new ATOM 0 HH21 ARG A 41 25.645 -0.332 -4.503 1.00 25.11 H new ATOM 0 HH22 ARG A 41 26.962 0.577 -5.250 1.00 25.11 H new ATOM 604 N SER A 42 23.889 -3.763 -9.692 1.00 0.21 N ATOM 605 CA SER A 42 24.303 -5.141 -9.926 1.00 23.21 C ATOM 606 C SER A 42 23.321 -5.854 -10.850 1.00 33.43 C ATOM 607 O SER A 42 23.119 -7.063 -10.745 1.00 74.41 O ATOM 608 CB SER A 42 24.413 -5.895 -8.599 1.00 70.33 C ATOM 609 OG SER A 42 25.594 -6.678 -8.553 1.00 53.45 O ATOM 0 H SER A 42 24.559 -3.062 -10.009 1.00 0.21 H new ATOM 0 HA SER A 42 25.281 -5.124 -10.408 1.00 23.21 H new ATOM 0 HB2 SER A 42 24.412 -5.185 -7.772 1.00 70.33 H new ATOM 0 HB3 SER A 42 23.542 -6.537 -8.469 1.00 70.33 H new ATOM 0 HG SER A 42 25.641 -7.148 -7.695 1.00 53.45 H new ATOM 615 N GLY A 43 22.711 -5.095 -11.755 1.00 45.14 N ATOM 616 CA GLY A 43 21.757 -5.670 -12.685 1.00 30.21 C ATOM 617 C GLY A 43 20.364 -5.773 -12.096 1.00 21.41 C ATOM 618 O GLY A 43 19.483 -6.407 -12.677 1.00 13.12 O ATOM 0 H GLY A 43 22.861 -4.092 -11.861 1.00 45.14 H new ATOM 0 HA2 GLY A 43 21.722 -5.061 -13.588 1.00 30.21 H new ATOM 0 HA3 GLY A 43 22.097 -6.662 -12.982 1.00 30.21 H new ATOM 622 N ARG A 44 20.165 -5.151 -10.939 1.00 1.13 N ATOM 623 CA ARG A 44 18.870 -5.178 -10.269 1.00 62.23 C ATOM 624 C ARG A 44 18.279 -3.775 -10.171 1.00 44.30 C ATOM 625 O ARG A 44 18.958 -2.813 -9.809 1.00 54.14 O ATOM 626 CB ARG A 44 19.007 -5.784 -8.871 1.00 64.45 C ATOM 627 CG ARG A 44 19.496 -7.224 -8.877 1.00 52.31 C ATOM 628 CD ARG A 44 18.398 -8.183 -9.309 1.00 53.22 C ATOM 629 NE ARG A 44 17.949 -9.032 -8.209 1.00 72.33 N ATOM 630 CZ ARG A 44 16.950 -9.902 -8.313 1.00 23.21 C ATOM 631 NH1 ARG A 44 16.301 -10.037 -9.461 1.00 35.13 N ATOM 632 NH2 ARG A 44 16.600 -10.640 -7.267 1.00 3.01 N ATOM 0 H ARG A 44 20.884 -4.622 -10.446 1.00 1.13 H new ATOM 0 HA ARG A 44 18.196 -5.797 -10.861 1.00 62.23 H new ATOM 0 HB2 ARG A 44 19.699 -5.177 -8.287 1.00 64.45 H new ATOM 0 HB3 ARG A 44 18.041 -5.739 -8.368 1.00 64.45 H new ATOM 0 HG2 ARG A 44 20.348 -7.317 -9.551 1.00 52.31 H new ATOM 0 HG3 ARG A 44 19.846 -7.495 -7.881 1.00 52.31 H new ATOM 0 HD2 ARG A 44 17.552 -7.615 -9.697 1.00 53.22 H new ATOM 0 HD3 ARG A 44 18.763 -8.808 -10.124 1.00 53.22 H new ATOM 0 HE ARG A 44 18.428 -8.953 -7.312 1.00 72.33 H new ATOM 0 HH11 ARG A 44 16.568 -9.472 -10.267 1.00 35.13 H new ATOM 0 HH12 ARG A 44 15.535 -10.706 -9.538 1.00 35.13 H new ATOM 0 HH21 ARG A 44 17.098 -10.540 -6.382 1.00 3.01 H new ATOM 0 HH22 ARG A 44 15.833 -11.308 -7.348 1.00 3.01 H new ATOM 646 N PRO A 45 16.985 -3.653 -10.501 1.00 11.13 N ATOM 647 CA PRO A 45 16.274 -2.372 -10.458 1.00 3.54 C ATOM 648 C PRO A 45 16.059 -1.876 -9.032 1.00 12.13 C ATOM 649 O PRO A 45 15.076 -2.233 -8.381 1.00 2.54 O ATOM 650 CB PRO A 45 14.932 -2.688 -11.122 1.00 41.33 C ATOM 651 CG PRO A 45 14.740 -4.150 -10.911 1.00 11.10 C ATOM 652 CD PRO A 45 16.115 -4.757 -10.941 1.00 3.15 C ATOM 0 HA PRO A 45 16.834 -1.579 -10.954 1.00 3.54 H new ATOM 0 HB2 PRO A 45 14.123 -2.113 -10.672 1.00 41.33 H new ATOM 0 HB3 PRO A 45 14.947 -2.440 -12.183 1.00 41.33 H new ATOM 0 HG2 PRO A 45 14.248 -4.345 -9.958 1.00 11.10 H new ATOM 0 HG3 PRO A 45 14.108 -4.577 -11.690 1.00 11.10 H new ATOM 0 HD2 PRO A 45 16.189 -5.617 -10.275 1.00 3.15 H new ATOM 0 HD3 PRO A 45 16.380 -5.103 -11.940 1.00 3.15 H new ATOM 660 N THR A 46 16.984 -1.051 -8.551 1.00 15.52 N ATOM 661 CA THR A 46 16.895 -0.506 -7.202 1.00 20.33 C ATOM 662 C THR A 46 16.491 0.963 -7.227 1.00 40.31 C ATOM 663 O THR A 46 16.962 1.733 -8.065 1.00 73.23 O ATOM 664 CB THR A 46 18.233 -0.646 -6.451 1.00 35.44 C ATOM 665 OG1 THR A 46 18.592 -2.028 -6.343 1.00 74.41 O ATOM 666 CG2 THR A 46 18.140 -0.032 -5.062 1.00 44.31 C ATOM 0 H THR A 46 17.804 -0.746 -9.076 1.00 15.52 H new ATOM 0 HA THR A 46 16.130 -1.081 -6.679 1.00 20.33 H new ATOM 0 HB THR A 46 18.999 -0.115 -7.016 1.00 35.44 H new ATOM 0 HG1 THR A 46 19.444 -2.108 -5.866 1.00 74.41 H new ATOM 0 HG21 THR A 46 19.096 -0.143 -4.551 1.00 44.31 H new ATOM 0 HG22 THR A 46 17.895 1.027 -5.148 1.00 44.31 H new ATOM 0 HG23 THR A 46 17.362 -0.539 -4.491 1.00 44.31 H new ATOM 674 N CYS A 47 15.617 1.348 -6.303 1.00 73.22 N ATOM 675 CA CYS A 47 15.149 2.726 -6.219 1.00 31.01 C ATOM 676 C CYS A 47 15.792 3.447 -5.038 1.00 10.41 C ATOM 677 O CYS A 47 15.630 3.043 -3.886 1.00 63.15 O ATOM 678 CB CYS A 47 13.625 2.762 -6.084 1.00 43.15 C ATOM 679 SG CYS A 47 12.826 4.090 -7.041 1.00 52.40 S ATOM 0 H CYS A 47 15.218 0.724 -5.601 1.00 73.22 H new ATOM 0 HA CYS A 47 15.438 3.238 -7.137 1.00 31.01 H new ATOM 0 HB2 CYS A 47 13.220 1.803 -6.405 1.00 43.15 H new ATOM 0 HB3 CYS A 47 13.367 2.881 -5.032 1.00 43.15 H new ATOM 684 N VAL A 48 16.522 4.519 -5.332 1.00 70.42 N ATOM 685 CA VAL A 48 17.189 5.298 -4.296 1.00 35.12 C ATOM 686 C VAL A 48 16.543 6.670 -4.139 1.00 33.11 C ATOM 687 O VAL A 48 16.054 7.253 -5.107 1.00 62.23 O ATOM 688 CB VAL A 48 18.686 5.480 -4.606 1.00 41.03 C ATOM 689 CG1 VAL A 48 19.455 5.834 -3.342 1.00 75.22 C ATOM 690 CG2 VAL A 48 19.253 4.224 -5.251 1.00 32.14 C ATOM 0 H VAL A 48 16.666 4.867 -6.280 1.00 70.42 H new ATOM 0 HA VAL A 48 17.084 4.741 -3.365 1.00 35.12 H new ATOM 0 HB VAL A 48 18.795 6.304 -5.311 1.00 41.03 H new ATOM 0 HG11 VAL A 48 20.511 5.959 -3.581 1.00 75.22 H new ATOM 0 HG12 VAL A 48 19.065 6.763 -2.927 1.00 75.22 H new ATOM 0 HG13 VAL A 48 19.341 5.034 -2.611 1.00 75.22 H new ATOM 0 HG21 VAL A 48 20.312 4.370 -5.463 1.00 32.14 H new ATOM 0 HG22 VAL A 48 19.132 3.380 -4.572 1.00 32.14 H new ATOM 0 HG23 VAL A 48 18.721 4.021 -6.181 1.00 32.14 H new ATOM 700 N CYS A 49 16.544 7.182 -2.913 1.00 31.55 N ATOM 701 CA CYS A 49 15.958 8.486 -2.627 1.00 24.31 C ATOM 702 C CYS A 49 17.027 9.472 -2.165 1.00 11.31 C ATOM 703 O CYS A 49 18.152 9.083 -1.849 1.00 74.14 O ATOM 704 CB CYS A 49 14.871 8.357 -1.558 1.00 62.01 C ATOM 705 SG CYS A 49 13.187 8.694 -2.166 1.00 4.30 S ATOM 0 H CYS A 49 16.945 6.713 -2.101 1.00 31.55 H new ATOM 0 HA CYS A 49 15.511 8.865 -3.546 1.00 24.31 H new ATOM 0 HB2 CYS A 49 14.901 7.349 -1.144 1.00 62.01 H new ATOM 0 HB3 CYS A 49 15.095 9.044 -0.742 1.00 62.01 H new ATOM 710 N TYR A 50 16.667 10.750 -2.128 1.00 3.54 N ATOM 711 CA TYR A 50 17.595 11.794 -1.706 1.00 61.55 C ATOM 712 C TYR A 50 16.843 13.000 -1.152 1.00 44.05 C ATOM 713 O TYR A 50 15.616 13.065 -1.220 1.00 52.21 O ATOM 714 CB TYR A 50 18.478 12.223 -2.879 1.00 5.31 C ATOM 715 CG TYR A 50 19.370 11.120 -3.402 1.00 33.40 C ATOM 716 CD1 TYR A 50 20.631 10.903 -2.860 1.00 34.41 C ATOM 717 CD2 TYR A 50 18.952 10.294 -4.439 1.00 14.44 C ATOM 718 CE1 TYR A 50 21.449 9.896 -3.335 1.00 32.10 C ATOM 719 CE2 TYR A 50 19.762 9.284 -4.919 1.00 4.31 C ATOM 720 CZ TYR A 50 21.010 9.089 -4.364 1.00 40.21 C ATOM 721 OH TYR A 50 21.821 8.085 -4.841 1.00 2.03 O ATOM 0 H TYR A 50 15.740 11.089 -2.385 1.00 3.54 H new ATOM 0 HA TYR A 50 18.225 11.388 -0.915 1.00 61.55 H new ATOM 0 HB2 TYR A 50 17.842 12.580 -3.690 1.00 5.31 H new ATOM 0 HB3 TYR A 50 19.098 13.063 -2.567 1.00 5.31 H new ATOM 0 HD1 TYR A 50 20.978 11.532 -2.054 1.00 34.41 H new ATOM 0 HD2 TYR A 50 17.976 10.445 -4.877 1.00 14.44 H new ATOM 0 HE1 TYR A 50 22.427 9.742 -2.903 1.00 32.10 H new ATOM 0 HE2 TYR A 50 19.421 8.650 -5.724 1.00 4.31 H new ATOM 0 HH TYR A 50 21.362 7.609 -5.564 1.00 2.03 H new ATOM 731 N ARG A 51 17.590 13.954 -0.605 1.00 72.31 N ATOM 732 CA ARG A 51 16.996 15.158 -0.039 1.00 15.44 C ATOM 733 C ARG A 51 15.875 14.806 0.935 1.00 73.41 C ATOM 734 O ARG A 51 14.935 15.579 1.124 1.00 44.22 O ATOM 735 CB ARG A 51 16.455 16.058 -1.152 1.00 35.24 C ATOM 736 CG ARG A 51 17.502 16.451 -2.180 1.00 61.45 C ATOM 737 CD ARG A 51 17.357 17.907 -2.595 1.00 23.51 C ATOM 738 NE ARG A 51 18.651 18.576 -2.703 1.00 72.00 N ATOM 739 CZ ARG A 51 18.814 19.777 -3.248 1.00 34.44 C ATOM 740 NH1 ARG A 51 17.770 20.436 -3.730 1.00 52.35 N ATOM 741 NH2 ARG A 51 20.023 20.320 -3.309 1.00 54.04 N ATOM 0 H ARG A 51 18.607 13.916 -0.542 1.00 72.31 H new ATOM 0 HA ARG A 51 17.773 15.693 0.507 1.00 15.44 H new ATOM 0 HB2 ARG A 51 15.637 15.545 -1.657 1.00 35.24 H new ATOM 0 HB3 ARG A 51 16.038 16.961 -0.707 1.00 35.24 H new ATOM 0 HG2 ARG A 51 18.498 16.286 -1.768 1.00 61.45 H new ATOM 0 HG3 ARG A 51 17.410 15.811 -3.057 1.00 61.45 H new ATOM 0 HD2 ARG A 51 16.840 17.961 -3.553 1.00 23.51 H new ATOM 0 HD3 ARG A 51 16.737 18.431 -1.868 1.00 23.51 H new ATOM 0 HE ARG A 51 19.474 18.095 -2.340 1.00 72.00 H new ATOM 0 HH11 ARG A 51 16.839 20.021 -3.683 1.00 52.35 H new ATOM 0 HH12 ARG A 51 17.897 21.358 -4.148 1.00 52.35 H new ATOM 0 HH21 ARG A 51 20.828 19.816 -2.937 1.00 54.04 H new ATOM 0 HH22 ARG A 51 20.148 21.242 -3.727 1.00 54.04 H new ATOM 755 N CYS A 52 15.980 13.633 1.550 1.00 31.51 N ATOM 756 CA CYS A 52 14.976 13.176 2.503 1.00 31.44 C ATOM 757 C CYS A 52 15.056 13.973 3.802 1.00 53.53 C ATOM 758 O CYS A 52 15.949 14.801 3.980 1.00 70.11 O ATOM 759 CB CYS A 52 15.161 11.685 2.796 1.00 53.35 C ATOM 760 SG CYS A 52 13.600 10.771 3.012 1.00 70.25 S ATOM 0 H CYS A 52 16.751 12.981 1.405 1.00 31.51 H new ATOM 0 HA CYS A 52 13.993 13.334 2.060 1.00 31.44 H new ATOM 0 HB2 CYS A 52 15.725 11.232 1.980 1.00 53.35 H new ATOM 0 HB3 CYS A 52 15.762 11.575 3.699 1.00 53.35 H new ATOM 765 N ALA A 53 14.115 13.718 4.705 1.00 23.04 N ATOM 766 CA ALA A 53 14.080 14.410 5.988 1.00 62.11 C ATOM 767 C ALA A 53 14.508 13.485 7.122 1.00 4.34 C ATOM 768 O ALA A 53 15.070 13.932 8.122 1.00 53.44 O ATOM 769 CB ALA A 53 12.687 14.962 6.252 1.00 41.03 C ATOM 0 H ALA A 53 13.367 13.038 4.572 1.00 23.04 H new ATOM 0 HA ALA A 53 14.786 15.240 5.945 1.00 62.11 H new ATOM 0 HB1 ALA A 53 12.675 15.476 7.213 1.00 41.03 H new ATOM 0 HB2 ALA A 53 12.418 15.663 5.462 1.00 41.03 H new ATOM 0 HB3 ALA A 53 11.968 14.143 6.270 1.00 41.03 H new ATOM 775 N ASN A 54 14.239 12.194 6.961 1.00 71.22 N ATOM 776 CA ASN A 54 14.596 11.206 7.973 1.00 55.21 C ATOM 777 C ASN A 54 15.981 10.626 7.703 1.00 53.50 C ATOM 778 O ASN A 54 16.326 9.557 8.204 1.00 41.30 O ATOM 779 CB ASN A 54 13.558 10.082 8.007 1.00 52.42 C ATOM 780 CG ASN A 54 13.499 9.390 9.355 1.00 53.41 C ATOM 781 OD1 ASN A 54 14.027 9.893 10.347 1.00 52.22 O ATOM 782 ND2 ASN A 54 12.854 8.230 9.396 1.00 1.14 N ATOM 0 H ASN A 54 13.775 11.807 6.139 1.00 71.22 H new ATOM 0 HA ASN A 54 14.613 11.705 8.942 1.00 55.21 H new ATOM 0 HB2 ASN A 54 12.576 10.491 7.768 1.00 52.42 H new ATOM 0 HB3 ASN A 54 13.795 9.349 7.236 1.00 52.42 H new ATOM 0 HD21 ASN A 54 12.781 7.718 10.275 1.00 1.14 H new ATOM 0 HD22 ASN A 54 12.432 7.851 8.548 1.00 1.14 H new ATOM 789 N GLY A 55 16.771 11.341 6.907 1.00 13.12 N ATOM 790 CA GLY A 55 18.109 10.882 6.585 1.00 42.44 C ATOM 791 C GLY A 55 18.837 11.829 5.650 1.00 31.43 C ATOM 792 O GLY A 55 20.061 11.940 5.698 1.00 22.20 O ATOM 0 H GLY A 55 16.508 12.229 6.480 1.00 13.12 H new ATOM 0 HA2 GLY A 55 18.683 10.771 7.505 1.00 42.44 H new ATOM 0 HA3 GLY A 55 18.051 9.895 6.125 1.00 42.44 H new ATOM 796 N GLY A 56 18.081 12.512 4.796 1.00 63.01 N ATOM 797 CA GLY A 56 18.680 13.443 3.857 1.00 15.11 C ATOM 798 C GLY A 56 19.698 12.779 2.952 1.00 41.42 C ATOM 799 O GLY A 56 20.875 13.138 2.962 1.00 51.13 O ATOM 0 H GLY A 56 17.065 12.438 4.737 1.00 63.01 H new ATOM 0 HA2 GLY A 56 17.897 13.894 3.248 1.00 15.11 H new ATOM 0 HA3 GLY A 56 19.161 14.251 4.408 1.00 15.11 H new ATOM 803 N GLY A 57 19.245 11.806 2.167 1.00 42.42 N ATOM 804 CA GLY A 57 20.139 11.105 1.264 1.00 50.12 C ATOM 805 C GLY A 57 19.563 9.787 0.785 1.00 53.51 C ATOM 806 O GLY A 57 18.357 9.674 0.561 1.00 4.11 O ATOM 0 H GLY A 57 18.275 11.491 2.140 1.00 42.42 H new ATOM 0 HA2 GLY A 57 20.352 11.739 0.403 1.00 50.12 H new ATOM 0 HA3 GLY A 57 21.088 10.922 1.767 1.00 50.12 H new ATOM 810 N ASP A 58 20.425 8.790 0.626 1.00 60.42 N ATOM 811 CA ASP A 58 19.995 7.473 0.169 1.00 20.15 C ATOM 812 C ASP A 58 19.084 6.812 1.199 1.00 74.02 C ATOM 813 O ASP A 58 19.540 6.371 2.254 1.00 62.42 O ATOM 814 CB ASP A 58 21.208 6.582 -0.102 1.00 45.41 C ATOM 815 CG ASP A 58 22.214 6.612 1.032 1.00 10.21 C ATOM 816 OD1 ASP A 58 22.291 5.617 1.783 1.00 4.33 O ATOM 817 OD2 ASP A 58 22.924 7.630 1.168 1.00 1.22 O ATOM 0 H ASP A 58 21.426 8.868 0.807 1.00 60.42 H new ATOM 0 HA ASP A 58 19.435 7.602 -0.757 1.00 20.15 H new ATOM 0 HB2 ASP A 58 20.874 5.557 -0.260 1.00 45.41 H new ATOM 0 HB3 ASP A 58 21.694 6.905 -1.023 1.00 45.41 H new ATOM 822 N ILE A 59 17.794 6.749 0.885 1.00 31.44 N ATOM 823 CA ILE A 59 16.819 6.142 1.783 1.00 21.31 C ATOM 824 C ILE A 59 15.796 5.318 1.008 1.00 23.22 C ATOM 825 O ILE A 59 14.940 5.850 0.302 1.00 15.44 O ATOM 826 CB ILE A 59 16.080 7.207 2.614 1.00 32.24 C ATOM 827 CG1 ILE A 59 17.063 8.265 3.118 1.00 3.20 C ATOM 828 CG2 ILE A 59 15.350 6.556 3.780 1.00 3.43 C ATOM 829 CD1 ILE A 59 17.914 7.796 4.277 1.00 3.34 C ATOM 0 H ILE A 59 17.400 7.111 0.016 1.00 31.44 H new ATOM 0 HA ILE A 59 17.374 5.488 2.456 1.00 21.31 H new ATOM 0 HB ILE A 59 15.343 7.697 1.977 1.00 32.24 H new ATOM 0 HG12 ILE A 59 17.715 8.564 2.297 1.00 3.20 H new ATOM 0 HG13 ILE A 59 16.506 9.151 3.422 1.00 3.20 H new ATOM 0 HG21 ILE A 59 14.832 7.321 4.358 1.00 3.43 H new ATOM 0 HG22 ILE A 59 14.625 5.837 3.399 1.00 3.43 H new ATOM 0 HG23 ILE A 59 16.069 6.043 4.419 1.00 3.43 H new ATOM 0 HD11 ILE A 59 18.587 8.597 4.582 1.00 3.34 H new ATOM 0 HD12 ILE A 59 17.271 7.524 5.114 1.00 3.34 H new ATOM 0 HD13 ILE A 59 18.498 6.928 3.972 1.00 3.34 H new ATOM 841 N PRO A 60 15.885 3.986 1.143 1.00 41.25 N ATOM 842 CA PRO A 60 14.974 3.060 0.464 1.00 32.33 C ATOM 843 C PRO A 60 13.559 3.121 1.029 1.00 33.33 C ATOM 844 O PRO A 60 13.361 3.432 2.205 1.00 44.44 O ATOM 845 CB PRO A 60 15.598 1.688 0.733 1.00 50.13 C ATOM 846 CG PRO A 60 16.378 1.866 1.990 1.00 55.03 C ATOM 847 CD PRO A 60 16.882 3.283 1.967 1.00 35.43 C ATOM 0 HA PRO A 60 14.868 3.295 -0.595 1.00 32.33 H new ATOM 0 HB2 PRO A 60 14.832 0.921 0.848 1.00 50.13 H new ATOM 0 HB3 PRO A 60 16.240 1.377 -0.091 1.00 50.13 H new ATOM 0 HG2 PRO A 60 15.753 1.688 2.865 1.00 55.03 H new ATOM 0 HG3 PRO A 60 17.205 1.158 2.040 1.00 55.03 H new ATOM 0 HD2 PRO A 60 16.943 3.704 2.970 1.00 35.43 H new ATOM 0 HD3 PRO A 60 17.880 3.348 1.533 1.00 35.43 H new ATOM 855 N LEU A 61 12.577 2.821 0.186 1.00 12.23 N ATOM 856 CA LEU A 61 11.179 2.841 0.602 1.00 14.41 C ATOM 857 C LEU A 61 10.981 2.045 1.888 1.00 4.00 C ATOM 858 O LEU A 61 10.032 2.277 2.635 1.00 54.43 O ATOM 859 CB LEU A 61 10.289 2.273 -0.505 1.00 14.23 C ATOM 860 CG LEU A 61 9.610 3.299 -1.413 1.00 33.00 C ATOM 861 CD1 LEU A 61 8.519 4.041 -0.657 1.00 55.54 C ATOM 862 CD2 LEU A 61 10.633 4.276 -1.972 1.00 43.32 C ATOM 0 H LEU A 61 12.723 2.561 -0.789 1.00 12.23 H new ATOM 0 HA LEU A 61 10.897 3.877 0.791 1.00 14.41 H new ATOM 0 HB2 LEU A 61 10.893 1.612 -1.126 1.00 14.23 H new ATOM 0 HB3 LEU A 61 9.516 1.659 -0.043 1.00 14.23 H new ATOM 0 HG LEU A 61 9.150 2.769 -2.247 1.00 33.00 H new ATOM 0 HD11 LEU A 61 8.047 4.767 -1.319 1.00 55.54 H new ATOM 0 HD12 LEU A 61 7.771 3.330 -0.306 1.00 55.54 H new ATOM 0 HD13 LEU A 61 8.956 4.559 0.197 1.00 55.54 H new ATOM 0 HD21 LEU A 61 10.132 4.999 -2.616 1.00 43.32 H new ATOM 0 HD22 LEU A 61 11.123 4.800 -1.151 1.00 43.32 H new ATOM 0 HD23 LEU A 61 11.379 3.731 -2.550 1.00 43.32 H new ATOM 874 N GLY A 62 11.887 1.105 2.141 1.00 5.42 N ATOM 875 CA GLY A 62 11.796 0.290 3.339 1.00 43.44 C ATOM 876 C GLY A 62 12.337 0.999 4.565 1.00 63.24 C ATOM 877 O GLY A 62 11.813 0.836 5.666 1.00 71.42 O ATOM 0 H GLY A 62 12.682 0.893 1.538 1.00 5.42 H new ATOM 0 HA2 GLY A 62 10.755 0.017 3.511 1.00 43.44 H new ATOM 0 HA3 GLY A 62 12.348 -0.638 3.186 1.00 43.44 H new ATOM 881 N ALA A 63 13.391 1.787 4.374 1.00 33.53 N ATOM 882 CA ALA A 63 14.003 2.522 5.474 1.00 52.33 C ATOM 883 C ALA A 63 13.149 3.721 5.875 1.00 62.42 C ATOM 884 O ALA A 63 13.226 4.199 7.007 1.00 13.23 O ATOM 885 CB ALA A 63 15.404 2.975 5.090 1.00 20.34 C ATOM 0 H ALA A 63 13.838 1.932 3.469 1.00 33.53 H new ATOM 0 HA ALA A 63 14.071 1.854 6.332 1.00 52.33 H new ATOM 0 HB1 ALA A 63 15.850 3.523 5.920 1.00 20.34 H new ATOM 0 HB2 ALA A 63 16.017 2.104 4.859 1.00 20.34 H new ATOM 0 HB3 ALA A 63 15.350 3.623 4.215 1.00 20.34 H new ATOM 891 N LEU A 64 12.337 4.202 4.940 1.00 31.32 N ATOM 892 CA LEU A 64 11.469 5.346 5.196 1.00 35.43 C ATOM 893 C LEU A 64 10.152 4.900 5.825 1.00 61.12 C ATOM 894 O LEU A 64 9.244 5.707 6.025 1.00 40.21 O ATOM 895 CB LEU A 64 11.195 6.104 3.897 1.00 42.54 C ATOM 896 CG LEU A 64 11.943 7.426 3.721 1.00 5.41 C ATOM 897 CD1 LEU A 64 12.000 7.817 2.252 1.00 14.15 C ATOM 898 CD2 LEU A 64 11.285 8.525 4.542 1.00 12.15 C ATOM 0 H LEU A 64 12.262 3.818 3.998 1.00 31.32 H new ATOM 0 HA LEU A 64 11.979 6.008 5.895 1.00 35.43 H new ATOM 0 HB2 LEU A 64 11.447 5.453 3.060 1.00 42.54 H new ATOM 0 HB3 LEU A 64 10.125 6.304 3.835 1.00 42.54 H new ATOM 0 HG LEU A 64 12.964 7.293 4.080 1.00 5.41 H new ATOM 0 HD11 LEU A 64 12.536 8.760 2.147 1.00 14.15 H new ATOM 0 HD12 LEU A 64 12.518 7.041 1.689 1.00 14.15 H new ATOM 0 HD13 LEU A 64 10.987 7.931 1.866 1.00 14.15 H new ATOM 0 HD21 LEU A 64 11.831 9.458 4.404 1.00 12.15 H new ATOM 0 HD22 LEU A 64 10.254 8.656 4.214 1.00 12.15 H new ATOM 0 HD23 LEU A 64 11.298 8.249 5.596 1.00 12.15 H new ATOM 910 N ILE A 65 10.057 3.612 6.136 1.00 61.45 N ATOM 911 CA ILE A 65 8.853 3.060 6.745 1.00 61.05 C ATOM 912 C ILE A 65 8.661 3.590 8.161 1.00 2.33 C ATOM 913 O ILE A 65 9.413 3.245 9.073 1.00 71.40 O ATOM 914 CB ILE A 65 8.898 1.521 6.786 1.00 13.11 C ATOM 915 CG1 ILE A 65 8.905 0.951 5.366 1.00 21.34 C ATOM 916 CG2 ILE A 65 7.715 0.978 7.575 1.00 44.12 C ATOM 917 CD1 ILE A 65 9.017 -0.557 5.321 1.00 25.15 C ATOM 0 H ILE A 65 10.799 2.931 5.976 1.00 61.45 H new ATOM 0 HA ILE A 65 8.013 3.374 6.125 1.00 61.05 H new ATOM 0 HB ILE A 65 9.816 1.212 7.286 1.00 13.11 H new ATOM 0 HG12 ILE A 65 7.990 1.255 4.857 1.00 21.34 H new ATOM 0 HG13 ILE A 65 9.737 1.386 4.813 1.00 21.34 H new ATOM 0 HG21 ILE A 65 7.760 -0.111 7.595 1.00 44.12 H new ATOM 0 HG22 ILE A 65 7.751 1.362 8.595 1.00 44.12 H new ATOM 0 HG23 ILE A 65 6.786 1.294 7.101 1.00 44.12 H new ATOM 0 HD11 ILE A 65 9.016 -0.891 4.283 1.00 25.15 H new ATOM 0 HD12 ILE A 65 9.945 -0.867 5.801 1.00 25.15 H new ATOM 0 HD13 ILE A 65 8.171 -1.001 5.846 1.00 25.15 H new ATOM 929 N LYS A 66 7.648 4.431 8.340 1.00 1.21 N ATOM 930 CA LYS A 66 7.353 5.008 9.646 1.00 4.14 C ATOM 931 C LYS A 66 6.507 4.055 10.484 1.00 61.31 C ATOM 932 O LYS A 66 6.121 4.377 11.608 1.00 62.43 O ATOM 933 CB LYS A 66 6.626 6.345 9.484 1.00 34.51 C ATOM 934 CG LYS A 66 7.361 7.334 8.596 1.00 32.34 C ATOM 935 CD LYS A 66 6.405 8.327 7.958 1.00 51.32 C ATOM 936 CE LYS A 66 5.720 7.735 6.736 1.00 51.33 C ATOM 937 NZ LYS A 66 4.236 7.798 6.847 1.00 42.25 N ATOM 0 H LYS A 66 7.017 4.728 7.596 1.00 1.21 H new ATOM 0 HA LYS A 66 8.298 5.176 10.163 1.00 4.14 H new ATOM 0 HB2 LYS A 66 5.636 6.162 9.067 1.00 34.51 H new ATOM 0 HB3 LYS A 66 6.481 6.791 10.468 1.00 34.51 H new ATOM 0 HG2 LYS A 66 8.105 7.871 9.185 1.00 32.34 H new ATOM 0 HG3 LYS A 66 7.900 6.794 7.817 1.00 32.34 H new ATOM 0 HD2 LYS A 66 5.653 8.630 8.687 1.00 51.32 H new ATOM 0 HD3 LYS A 66 6.951 9.226 7.671 1.00 51.32 H new ATOM 0 HE2 LYS A 66 6.041 8.273 5.844 1.00 51.33 H new ATOM 0 HE3 LYS A 66 6.031 6.698 6.612 1.00 51.33 H new ATOM 0 HZ1 LYS A 66 3.806 7.385 5.995 1.00 42.25 H new ATOM 0 HZ2 LYS A 66 3.927 7.264 7.684 1.00 42.25 H new ATOM 0 HZ3 LYS A 66 3.937 8.790 6.940 1.00 42.25 H new ATOM 951 N ARG A 67 6.223 2.880 9.930 1.00 45.41 N ATOM 952 CA ARG A 67 5.423 1.880 10.626 1.00 2.45 C ATOM 953 C ARG A 67 3.996 2.377 10.838 1.00 2.43 C ATOM 954 O ARG A 67 3.245 1.817 11.635 1.00 74.01 O ATOM 955 CB ARG A 67 6.060 1.535 11.974 1.00 13.20 C ATOM 956 CG ARG A 67 6.132 0.042 12.249 1.00 51.11 C ATOM 957 CD ARG A 67 4.752 -0.597 12.218 1.00 24.24 C ATOM 958 NE ARG A 67 4.793 -2.005 12.604 1.00 21.21 N ATOM 959 CZ ARG A 67 3.708 -2.755 12.762 1.00 23.45 C ATOM 960 NH1 ARG A 67 2.504 -2.235 12.569 1.00 63.12 N ATOM 961 NH2 ARG A 67 3.827 -4.029 13.115 1.00 72.22 N ATOM 0 H ARG A 67 6.535 2.598 9.001 1.00 45.41 H new ATOM 0 HA ARG A 67 5.389 0.983 10.008 1.00 2.45 H new ATOM 0 HB2 ARG A 67 7.067 1.951 12.008 1.00 13.20 H new ATOM 0 HB3 ARG A 67 5.490 2.015 12.769 1.00 13.20 H new ATOM 0 HG2 ARG A 67 6.772 -0.435 11.507 1.00 51.11 H new ATOM 0 HG3 ARG A 67 6.591 -0.128 13.223 1.00 51.11 H new ATOM 0 HD2 ARG A 67 4.087 -0.056 12.891 1.00 24.24 H new ATOM 0 HD3 ARG A 67 4.333 -0.508 11.216 1.00 24.24 H new ATOM 0 HE ARG A 67 5.704 -2.436 12.761 1.00 21.21 H new ATOM 0 HH11 ARG A 67 2.409 -1.256 12.298 1.00 63.12 H new ATOM 0 HH12 ARG A 67 1.673 -2.814 12.691 1.00 63.12 H new ATOM 0 HH21 ARG A 67 4.752 -4.432 13.265 1.00 72.22 H new ATOM 0 HH22 ARG A 67 2.994 -4.605 13.236 1.00 72.22 H new ATOM 975 N GLY A 68 3.630 3.434 10.119 1.00 11.22 N ATOM 976 CA GLY A 68 2.295 3.989 10.243 1.00 12.43 C ATOM 977 C GLY A 68 2.069 4.661 11.583 1.00 15.22 C ATOM 978 O GLY A 68 2.603 5.739 11.842 1.00 13.44 O ATOM 0 H GLY A 68 4.234 3.916 9.453 1.00 11.22 H new ATOM 0 HA2 GLY A 68 2.130 4.713 9.445 1.00 12.43 H new ATOM 0 HA3 GLY A 68 1.561 3.195 10.110 1.00 12.43 H new TER 982 GLY A 68