USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 474 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 ALA N :NH3+ 133:sc= 0.0562 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00187) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.19 X(o=-1.2,f=-0.83!) USER MOD Single : A 16 SER OG : rot 180:sc= 0.0025 USER MOD Single : A 18 SER OG : rot 180:sc= -0.261 USER MOD Single : A 20 THR OG1 : rot 18:sc= -0.229 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN : amide:sc= -0.209 K(o=-0.21,f=-1.6!) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= -2.21! USER MOD Single : A 29 ASN : amide:sc= -4.52! C(o=-4.5!,f=-7.6!) USER MOD Single : A 30 SER OG : rot -88:sc= 0.768 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.443 X(o=-0.44,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00358 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.566 K(o=-0.57,f=-2.3) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 48 ASN : amide:sc= -0.394 X(o=-0.39,f=-0.74) USER MOD Single : A 49 ASN : amide:sc= -3.47! C(o=-3.5!,f=-8.7!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00176 USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 58 GLN : amide:sc= -0.937 K(o=-0.94,f=-5.4!) USER MOD Single : A 59 THR OG1 : rot 106:sc= 0.791 USER MOD Single : A 61 GLN : amide:sc= -5.98! C(o=-6!,f=-10!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.069 -0.864 -6.928 1.00 31.10 N ATOM 2 CA ALA A 1 0.892 -0.225 -7.940 1.00 43.40 C ATOM 3 C ALA A 1 2.335 -0.272 -7.523 1.00 43.45 C ATOM 4 O ALA A 1 2.661 -0.155 -6.334 1.00 54.24 O ATOM 5 CB ALA A 1 0.458 1.207 -8.173 1.00 62.30 C ATOM 0 H1 ALA A 1 -0.750 -0.260 -6.715 1.00 31.10 H new ATOM 0 H2 ALA A 1 -0.262 -1.785 -7.280 1.00 31.10 H new ATOM 0 H3 ALA A 1 0.629 -1.005 -6.063 1.00 31.10 H new ATOM 0 HA ALA A 1 0.770 -0.767 -8.878 1.00 43.40 H new ATOM 0 HB1 ALA A 1 1.092 1.660 -8.935 1.00 62.30 H new ATOM 0 HB2 ALA A 1 -0.579 1.223 -8.507 1.00 62.30 H new ATOM 0 HB3 ALA A 1 0.549 1.770 -7.244 1.00 62.30 H new ATOM 13 N ARG A 2 3.194 -0.443 -8.482 1.00 64.34 N ATOM 14 CA ARG A 2 4.615 -0.492 -8.283 1.00 13.14 C ATOM 15 C ARG A 2 5.162 0.903 -8.480 1.00 13.41 C ATOM 16 O ARG A 2 4.729 1.622 -9.380 1.00 1.50 O ATOM 17 CB ARG A 2 5.222 -1.461 -9.299 1.00 15.15 C ATOM 18 CG ARG A 2 5.100 -2.916 -8.891 1.00 73.14 C ATOM 19 CD ARG A 2 5.199 -3.867 -10.076 1.00 23.12 C ATOM 20 NE ARG A 2 6.371 -3.652 -10.944 1.00 72.21 N ATOM 21 CZ ARG A 2 6.575 -4.346 -12.079 1.00 71.14 C ATOM 22 NH1 ARG A 2 5.822 -5.405 -12.342 1.00 72.24 N ATOM 23 NH2 ARG A 2 7.554 -4.018 -12.919 1.00 14.42 N ATOM 0 H ARG A 2 2.918 -0.556 -9.457 1.00 64.34 H new ATOM 0 HA ARG A 2 4.863 -0.840 -7.280 1.00 13.14 H new ATOM 0 HB2 ARG A 2 4.732 -1.319 -10.262 1.00 15.15 H new ATOM 0 HB3 ARG A 2 6.275 -1.217 -9.438 1.00 15.15 H new ATOM 0 HG2 ARG A 2 5.884 -3.155 -8.172 1.00 73.14 H new ATOM 0 HG3 ARG A 2 4.146 -3.069 -8.386 1.00 73.14 H new ATOM 0 HD2 ARG A 2 5.224 -4.890 -9.702 1.00 23.12 H new ATOM 0 HD3 ARG A 2 4.296 -3.770 -10.678 1.00 23.12 H new ATOM 0 HE ARG A 2 7.057 -2.947 -10.673 1.00 72.21 H new ATOM 0 HH11 ARG A 2 5.094 -5.689 -11.686 1.00 72.24 H new ATOM 0 HH12 ARG A 2 5.971 -5.936 -13.200 1.00 72.24 H new ATOM 0 HH21 ARG A 2 8.165 -3.229 -12.707 1.00 14.42 H new ATOM 0 HH22 ARG A 2 7.693 -4.556 -13.774 1.00 14.42 H new ATOM 37 N PRO A 3 6.127 1.309 -7.629 1.00 63.52 N ATOM 38 CA PRO A 3 6.712 2.664 -7.638 1.00 30.44 C ATOM 39 C PRO A 3 7.406 3.001 -8.951 1.00 24.24 C ATOM 40 O PRO A 3 7.651 4.175 -9.259 1.00 44.35 O ATOM 41 CB PRO A 3 7.735 2.630 -6.491 1.00 2.43 C ATOM 42 CG PRO A 3 8.018 1.186 -6.274 1.00 71.45 C ATOM 43 CD PRO A 3 6.738 0.473 -6.574 1.00 72.52 C ATOM 0 HA PRO A 3 5.943 3.427 -7.521 1.00 30.44 H new ATOM 0 HB2 PRO A 3 8.642 3.175 -6.754 1.00 2.43 H new ATOM 0 HB3 PRO A 3 7.334 3.094 -5.590 1.00 2.43 H new ATOM 0 HG2 PRO A 3 8.820 0.842 -6.927 1.00 71.45 H new ATOM 0 HG3 PRO A 3 8.339 1.000 -5.249 1.00 71.45 H new ATOM 0 HD2 PRO A 3 6.915 -0.546 -6.919 1.00 72.52 H new ATOM 0 HD3 PRO A 3 6.099 0.404 -5.694 1.00 72.52 H new ATOM 51 N LYS A 4 7.682 1.971 -9.755 1.00 31.23 N ATOM 52 CA LYS A 4 8.318 2.248 -10.995 1.00 72.40 C ATOM 53 C LYS A 4 7.641 1.530 -12.178 1.00 31.44 C ATOM 54 O LYS A 4 7.875 0.351 -12.442 1.00 43.32 O ATOM 55 CB LYS A 4 9.866 2.188 -11.069 1.00 34.41 C ATOM 56 CG LYS A 4 10.593 3.064 -10.051 1.00 13.43 C ATOM 57 CD LYS A 4 11.952 3.528 -10.585 1.00 23.12 C ATOM 58 CE LYS A 4 12.885 2.373 -10.934 1.00 25.41 C ATOM 59 NZ LYS A 4 13.226 1.529 -9.774 1.00 43.42 N ATOM 0 H LYS A 4 7.478 0.990 -9.563 1.00 31.23 H new ATOM 0 HA LYS A 4 8.148 3.321 -11.083 1.00 72.40 H new ATOM 0 HB2 LYS A 4 10.182 1.154 -10.928 1.00 34.41 H new ATOM 0 HB3 LYS A 4 10.179 2.484 -12.070 1.00 34.41 H new ATOM 0 HG2 LYS A 4 9.979 3.932 -9.811 1.00 13.43 H new ATOM 0 HG3 LYS A 4 10.735 2.507 -9.125 1.00 13.43 H new ATOM 0 HD2 LYS A 4 11.796 4.142 -11.472 1.00 23.12 H new ATOM 0 HD3 LYS A 4 12.432 4.162 -9.839 1.00 23.12 H new ATOM 0 HE2 LYS A 4 12.416 1.755 -11.699 1.00 25.41 H new ATOM 0 HE3 LYS A 4 13.802 2.773 -11.366 1.00 25.41 H new ATOM 0 HZ1 LYS A 4 13.875 0.774 -10.073 1.00 43.42 H new ATOM 0 HZ2 LYS A 4 13.685 2.111 -9.044 1.00 43.42 H new ATOM 0 HZ3 LYS A 4 12.359 1.106 -9.385 1.00 43.42 H new ATOM 73 N ASP A 5 6.784 2.285 -12.836 1.00 1.22 N ATOM 74 CA ASP A 5 6.139 1.796 -14.059 1.00 64.12 C ATOM 75 C ASP A 5 7.105 2.307 -15.071 1.00 10.24 C ATOM 76 O ASP A 5 8.265 2.590 -14.728 1.00 33.33 O ATOM 77 CB ASP A 5 4.746 2.410 -14.284 1.00 74.44 C ATOM 78 CG ASP A 5 3.726 2.032 -13.238 1.00 2.52 C ATOM 79 OD1 ASP A 5 3.349 0.831 -13.145 1.00 74.00 O ATOM 80 OD2 ASP A 5 3.234 2.944 -12.531 1.00 23.13 O ATOM 0 H ASP A 5 6.514 3.228 -12.557 1.00 1.22 H new ATOM 0 HA ASP A 5 5.956 0.721 -14.067 1.00 64.12 H new ATOM 0 HB2 ASP A 5 4.840 3.496 -14.308 1.00 74.44 H new ATOM 0 HB3 ASP A 5 4.379 2.100 -15.262 1.00 74.44 H new ATOM 85 N ARG A 6 6.751 2.384 -16.303 1.00 51.31 N ATOM 86 CA ARG A 6 7.411 3.361 -17.085 1.00 21.33 C ATOM 87 C ARG A 6 6.583 4.610 -16.822 1.00 72.33 C ATOM 88 O ARG A 6 5.444 4.699 -17.275 1.00 41.42 O ATOM 89 CB ARG A 6 7.398 2.960 -18.569 1.00 64.54 C ATOM 90 CG ARG A 6 8.198 1.695 -18.849 1.00 2.31 C ATOM 91 CD ARG A 6 9.688 1.935 -18.655 1.00 74.20 C ATOM 92 NE ARG A 6 10.464 0.689 -18.620 1.00 40.33 N ATOM 93 CZ ARG A 6 11.410 0.317 -19.483 1.00 54.22 C ATOM 94 NH1 ARG A 6 11.597 0.978 -20.622 1.00 13.14 N ATOM 95 NH2 ARG A 6 12.140 -0.754 -19.205 1.00 15.31 N ATOM 0 H ARG A 6 6.046 1.815 -16.772 1.00 51.31 H new ATOM 0 HA ARG A 6 8.464 3.496 -16.837 1.00 21.33 H new ATOM 0 HB2 ARG A 6 6.367 2.810 -18.891 1.00 64.54 H new ATOM 0 HB3 ARG A 6 7.802 3.779 -19.165 1.00 64.54 H new ATOM 0 HG2 ARG A 6 7.866 0.897 -18.186 1.00 2.31 H new ATOM 0 HG3 ARG A 6 8.010 1.361 -19.869 1.00 2.31 H new ATOM 0 HD2 ARG A 6 10.058 2.566 -19.463 1.00 74.20 H new ATOM 0 HD3 ARG A 6 9.845 2.482 -17.726 1.00 74.20 H new ATOM 0 HE ARG A 6 10.259 0.042 -17.858 1.00 40.33 H new ATOM 0 HH11 ARG A 6 11.012 1.783 -20.846 1.00 13.14 H new ATOM 0 HH12 ARG A 6 12.325 0.680 -21.271 1.00 13.14 H new ATOM 0 HH21 ARG A 6 11.973 -1.276 -18.345 1.00 15.31 H new ATOM 0 HH22 ARG A 6 12.869 -1.056 -19.851 1.00 15.31 H new ATOM 109 N PRO A 7 7.129 5.567 -16.034 1.00 55.45 N ATOM 110 CA PRO A 7 6.442 6.791 -15.626 1.00 31.13 C ATOM 111 C PRO A 7 6.095 7.748 -16.638 1.00 45.43 C ATOM 112 O PRO A 7 6.686 8.796 -16.687 1.00 53.24 O ATOM 113 CB PRO A 7 7.258 7.371 -14.469 1.00 62.32 C ATOM 114 CG PRO A 7 8.171 6.264 -14.073 1.00 54.15 C ATOM 115 CD PRO A 7 8.407 5.463 -15.325 1.00 45.42 C ATOM 0 HA PRO A 7 5.432 6.515 -15.324 1.00 31.13 H new ATOM 0 HB2 PRO A 7 7.815 8.255 -14.779 1.00 62.32 H new ATOM 0 HB3 PRO A 7 6.616 7.673 -13.641 1.00 62.32 H new ATOM 0 HG2 PRO A 7 9.108 6.653 -13.675 1.00 54.15 H new ATOM 0 HG3 PRO A 7 7.724 5.648 -13.293 1.00 54.15 H new ATOM 0 HD2 PRO A 7 9.229 5.870 -15.914 1.00 45.42 H new ATOM 0 HD3 PRO A 7 8.659 4.427 -15.099 1.00 45.42 H new ATOM 123 N SER A 8 5.105 7.320 -17.444 1.00 52.53 N ATOM 124 CA SER A 8 4.275 8.077 -18.374 1.00 15.30 C ATOM 125 C SER A 8 4.971 9.201 -19.060 1.00 72.22 C ATOM 126 O SER A 8 5.197 9.156 -20.277 1.00 62.15 O ATOM 127 CB SER A 8 2.997 8.524 -17.677 1.00 21.11 C ATOM 128 OG SER A 8 2.334 7.392 -17.131 1.00 11.41 O ATOM 0 H SER A 8 4.848 6.333 -17.454 1.00 52.53 H new ATOM 0 HA SER A 8 4.022 7.398 -19.188 1.00 15.30 H new ATOM 0 HB2 SER A 8 3.231 9.237 -16.887 1.00 21.11 H new ATOM 0 HB3 SER A 8 2.344 9.035 -18.384 1.00 21.11 H new ATOM 0 HG SER A 8 1.512 7.680 -16.681 1.00 11.41 H new ATOM 134 N TYR A 9 5.352 10.194 -18.283 1.00 43.10 N ATOM 135 CA TYR A 9 6.022 11.363 -18.704 1.00 41.12 C ATOM 136 C TYR A 9 7.324 10.987 -19.298 1.00 42.21 C ATOM 137 O TYR A 9 7.725 11.589 -20.256 1.00 42.54 O ATOM 138 CB TYR A 9 6.272 12.200 -17.468 1.00 43.12 C ATOM 139 CG TYR A 9 5.014 12.687 -16.854 1.00 52.51 C ATOM 140 CD1 TYR A 9 3.955 13.014 -17.663 1.00 41.40 C ATOM 141 CD2 TYR A 9 4.872 12.801 -15.482 1.00 52.23 C ATOM 142 CE1 TYR A 9 2.764 13.458 -17.131 1.00 55.32 C ATOM 143 CE2 TYR A 9 3.692 13.238 -14.931 1.00 22.45 C ATOM 144 CZ TYR A 9 2.639 13.570 -15.756 1.00 55.50 C ATOM 145 OH TYR A 9 1.446 14.004 -15.205 1.00 21.43 O ATOM 0 H TYR A 9 5.181 10.185 -17.278 1.00 43.10 H new ATOM 0 HA TYR A 9 5.433 11.909 -19.441 1.00 41.12 H new ATOM 0 HB2 TYR A 9 6.825 11.609 -16.738 1.00 43.12 H new ATOM 0 HB3 TYR A 9 6.899 13.052 -17.730 1.00 43.12 H new ATOM 0 HD1 TYR A 9 4.057 12.922 -18.734 1.00 41.40 H new ATOM 0 HD2 TYR A 9 5.699 12.543 -14.837 1.00 52.23 H new ATOM 0 HE1 TYR A 9 1.938 13.715 -17.778 1.00 55.32 H new ATOM 0 HE2 TYR A 9 3.590 13.321 -13.859 1.00 22.45 H new ATOM 0 HH TYR A 9 1.525 14.025 -14.228 1.00 21.43 H new ATOM 155 N CYS A 10 7.973 9.923 -18.711 1.00 3.25 N ATOM 156 CA CYS A 10 9.204 9.401 -19.238 1.00 54.12 C ATOM 157 C CYS A 10 9.068 9.273 -20.717 1.00 70.21 C ATOM 158 O CYS A 10 9.819 9.841 -21.471 1.00 32.45 O ATOM 159 CB CYS A 10 9.476 7.954 -18.782 1.00 52.30 C ATOM 160 SG CYS A 10 9.779 7.684 -17.034 1.00 73.44 S ATOM 0 H CYS A 10 7.634 9.440 -17.879 1.00 3.25 H new ATOM 0 HA CYS A 10 9.991 10.076 -18.902 1.00 54.12 H new ATOM 0 HB2 CYS A 10 8.623 7.342 -19.075 1.00 52.30 H new ATOM 0 HB3 CYS A 10 10.339 7.583 -19.335 1.00 52.30 H new ATOM 165 N ASN A 11 7.982 8.669 -21.137 1.00 20.40 N ATOM 166 CA ASN A 11 7.905 8.226 -22.540 1.00 3.42 C ATOM 167 C ASN A 11 7.310 9.300 -23.452 1.00 53.44 C ATOM 168 O ASN A 11 7.054 9.049 -24.634 1.00 51.03 O ATOM 169 CB ASN A 11 7.134 6.947 -22.705 1.00 0.02 C ATOM 170 CG ASN A 11 7.625 5.784 -21.833 1.00 33.34 C ATOM 171 OD1 ASN A 11 8.807 5.638 -21.563 1.00 61.41 O ATOM 172 ND2 ASN A 11 6.716 4.978 -21.350 1.00 31.03 N ATOM 0 H ASN A 11 7.160 8.471 -20.566 1.00 20.40 H new ATOM 0 HA ASN A 11 8.937 8.042 -22.839 1.00 3.42 H new ATOM 0 HB2 ASN A 11 6.086 7.138 -22.475 1.00 0.02 H new ATOM 0 HB3 ASN A 11 7.180 6.643 -23.751 1.00 0.02 H new ATOM 0 HD21 ASN A 11 6.989 4.211 -20.736 1.00 31.03 H new ATOM 0 HD22 ASN A 11 5.734 5.116 -21.587 1.00 31.03 H new ATOM 179 N LEU A 12 6.991 10.446 -22.890 1.00 64.03 N ATOM 180 CA LEU A 12 6.319 11.518 -23.625 1.00 23.42 C ATOM 181 C LEU A 12 7.309 12.407 -24.391 1.00 23.34 C ATOM 182 O LEU A 12 8.439 12.611 -23.967 1.00 52.04 O ATOM 183 CB LEU A 12 5.486 12.389 -22.672 1.00 34.01 C ATOM 184 CG LEU A 12 4.303 11.712 -21.981 1.00 21.14 C ATOM 185 CD1 LEU A 12 3.537 12.719 -21.144 1.00 52.01 C ATOM 186 CD2 LEU A 12 3.385 11.062 -22.999 1.00 35.23 C ATOM 0 H LEU A 12 7.186 10.669 -21.914 1.00 64.03 H new ATOM 0 HA LEU A 12 5.664 11.037 -24.352 1.00 23.42 H new ATOM 0 HB2 LEU A 12 6.150 12.782 -21.902 1.00 34.01 H new ATOM 0 HB3 LEU A 12 5.108 13.243 -23.234 1.00 34.01 H new ATOM 0 HG LEU A 12 4.689 10.932 -21.324 1.00 21.14 H new ATOM 0 HD11 LEU A 12 2.697 12.224 -20.657 1.00 52.01 H new ATOM 0 HD12 LEU A 12 4.198 13.140 -20.387 1.00 52.01 H new ATOM 0 HD13 LEU A 12 3.165 13.518 -21.786 1.00 52.01 H new ATOM 0 HD21 LEU A 12 2.550 10.586 -22.485 1.00 35.23 H new ATOM 0 HD22 LEU A 12 3.005 11.821 -23.683 1.00 35.23 H new ATOM 0 HD23 LEU A 12 3.940 10.311 -23.562 1.00 35.23 H new ATOM 198 N PRO A 13 6.887 12.934 -25.546 1.00 1.24 N ATOM 199 CA PRO A 13 7.696 13.845 -26.344 1.00 63.44 C ATOM 200 C PRO A 13 7.652 15.278 -25.776 1.00 43.21 C ATOM 201 O PRO A 13 6.641 15.709 -25.207 1.00 0.41 O ATOM 202 CB PRO A 13 7.024 13.803 -27.735 1.00 4.14 C ATOM 203 CG PRO A 13 5.947 12.770 -27.638 1.00 2.55 C ATOM 204 CD PRO A 13 5.600 12.672 -26.190 1.00 34.01 C ATOM 0 HA PRO A 13 8.748 13.559 -26.361 1.00 63.44 H new ATOM 0 HB2 PRO A 13 6.609 14.776 -27.998 1.00 4.14 H new ATOM 0 HB3 PRO A 13 7.745 13.544 -28.510 1.00 4.14 H new ATOM 0 HG2 PRO A 13 5.077 13.057 -28.229 1.00 2.55 H new ATOM 0 HG3 PRO A 13 6.291 11.810 -28.022 1.00 2.55 H new ATOM 0 HD2 PRO A 13 4.844 13.403 -25.902 1.00 34.01 H new ATOM 0 HD3 PRO A 13 5.208 11.689 -25.931 1.00 34.01 H new ATOM 212 N ALA A 14 8.758 15.994 -25.938 1.00 64.13 N ATOM 213 CA ALA A 14 8.903 17.363 -25.454 1.00 44.42 C ATOM 214 C ALA A 14 8.037 18.325 -26.268 1.00 44.32 C ATOM 215 O ALA A 14 7.944 18.156 -27.486 1.00 73.32 O ATOM 216 CB ALA A 14 10.348 17.763 -25.531 1.00 73.24 C ATOM 0 H ALA A 14 9.587 15.638 -26.413 1.00 64.13 H new ATOM 0 HA ALA A 14 8.567 17.411 -24.418 1.00 44.42 H new ATOM 0 HB1 ALA A 14 10.462 18.785 -25.171 1.00 73.24 H new ATOM 0 HB2 ALA A 14 10.945 17.092 -24.914 1.00 73.24 H new ATOM 0 HB3 ALA A 14 10.688 17.703 -26.565 1.00 73.24 H new ATOM 222 N ASP A 15 7.472 19.346 -25.643 1.00 53.34 N ATOM 223 CA ASP A 15 6.807 20.432 -26.352 1.00 32.43 C ATOM 224 C ASP A 15 7.267 21.761 -25.801 1.00 53.52 C ATOM 225 O ASP A 15 7.170 22.027 -24.611 1.00 2.43 O ATOM 226 CB ASP A 15 5.282 20.338 -26.421 1.00 1.32 C ATOM 227 CG ASP A 15 4.775 19.185 -27.264 1.00 11.42 C ATOM 228 OD1 ASP A 15 4.968 19.208 -28.508 1.00 41.53 O ATOM 229 OD2 ASP A 15 4.121 18.276 -26.734 1.00 71.21 O ATOM 0 H ASP A 15 7.461 19.447 -24.628 1.00 53.34 H new ATOM 0 HA ASP A 15 7.112 20.337 -27.394 1.00 32.43 H new ATOM 0 HB2 ASP A 15 4.888 20.237 -25.410 1.00 1.32 H new ATOM 0 HB3 ASP A 15 4.888 21.271 -26.824 1.00 1.32 H new ATOM 234 N SER A 16 7.847 22.547 -26.651 1.00 25.40 N ATOM 235 CA SER A 16 8.529 23.728 -26.242 1.00 74.14 C ATOM 236 C SER A 16 7.616 24.967 -26.043 1.00 33.34 C ATOM 237 O SER A 16 7.831 25.760 -25.116 1.00 32.42 O ATOM 238 CB SER A 16 9.673 24.011 -27.192 1.00 51.34 C ATOM 239 OG SER A 16 9.220 24.069 -28.549 1.00 3.32 O ATOM 0 H SER A 16 7.859 22.383 -27.658 1.00 25.40 H new ATOM 0 HA SER A 16 8.924 23.531 -25.245 1.00 74.14 H new ATOM 0 HB2 SER A 16 10.146 24.956 -26.924 1.00 51.34 H new ATOM 0 HB3 SER A 16 10.432 23.235 -27.092 1.00 51.34 H new ATOM 0 HG SER A 16 9.980 24.255 -29.140 1.00 3.32 H new ATOM 245 N GLY A 17 6.546 25.060 -26.815 1.00 53.34 N ATOM 246 CA GLY A 17 5.726 26.277 -26.786 1.00 54.54 C ATOM 247 C GLY A 17 6.395 27.427 -27.565 1.00 15.25 C ATOM 248 O GLY A 17 7.451 27.285 -28.193 1.00 70.11 O ATOM 0 H GLY A 17 6.224 24.334 -27.455 1.00 53.34 H new ATOM 0 HA2 GLY A 17 4.746 26.067 -27.215 1.00 54.54 H new ATOM 0 HA3 GLY A 17 5.563 26.583 -25.753 1.00 54.54 H new ATOM 252 N SER A 18 5.737 28.573 -27.416 1.00 4.21 N ATOM 253 CA SER A 18 6.086 29.731 -28.287 1.00 64.24 C ATOM 254 C SER A 18 7.129 30.604 -27.599 1.00 14.45 C ATOM 255 O SER A 18 7.570 31.657 -28.082 1.00 70.12 O ATOM 256 CB SER A 18 4.832 30.517 -28.649 1.00 60.53 C ATOM 257 OG SER A 18 4.120 30.909 -27.477 1.00 23.34 O ATOM 0 H SER A 18 4.992 28.740 -26.740 1.00 4.21 H new ATOM 0 HA SER A 18 6.521 29.367 -29.218 1.00 64.24 H new ATOM 0 HB2 SER A 18 5.106 31.401 -29.225 1.00 60.53 H new ATOM 0 HB3 SER A 18 4.188 29.909 -29.284 1.00 60.53 H new ATOM 0 HG SER A 18 3.320 31.414 -27.734 1.00 23.34 H new ATOM 263 N GLY A 19 7.493 30.088 -26.495 1.00 33.13 N ATOM 264 CA GLY A 19 8.622 30.617 -25.841 1.00 1.03 C ATOM 265 C GLY A 19 8.340 31.740 -24.923 1.00 65.53 C ATOM 266 O GLY A 19 7.508 32.614 -25.187 1.00 14.13 O ATOM 0 H GLY A 19 7.033 29.307 -26.026 1.00 33.13 H new ATOM 0 HA2 GLY A 19 9.105 29.819 -25.277 1.00 1.03 H new ATOM 0 HA3 GLY A 19 9.336 30.952 -26.593 1.00 1.03 H new ATOM 270 N THR A 20 8.988 31.680 -23.837 1.00 1.22 N ATOM 271 CA THR A 20 9.026 32.662 -22.839 1.00 24.51 C ATOM 272 C THR A 20 10.339 32.527 -22.071 1.00 1.03 C ATOM 273 O THR A 20 11.139 33.465 -22.042 1.00 53.45 O ATOM 274 CB THR A 20 7.727 32.566 -21.986 1.00 2.40 C ATOM 275 OG1 THR A 20 6.499 32.932 -22.585 1.00 14.24 O ATOM 276 CG2 THR A 20 7.548 31.230 -21.240 1.00 2.22 C ATOM 0 H THR A 20 9.558 30.868 -23.600 1.00 1.22 H new ATOM 0 HA THR A 20 9.028 33.675 -23.242 1.00 24.51 H new ATOM 0 HB THR A 20 7.946 33.363 -21.276 1.00 2.40 H new ATOM 0 HG1 THR A 20 6.598 32.932 -23.560 1.00 14.24 H new ATOM 0 HG21 THR A 20 6.618 31.252 -20.672 1.00 2.22 H new ATOM 0 HG22 THR A 20 7.514 30.413 -21.960 1.00 2.22 H new ATOM 0 HG23 THR A 20 8.385 31.079 -20.559 1.00 2.22 H new ATOM 284 N LYS A 21 10.569 31.396 -21.501 1.00 40.52 N ATOM 285 CA LYS A 21 11.846 31.169 -20.881 1.00 61.23 C ATOM 286 C LYS A 21 12.483 29.955 -21.531 1.00 31.02 C ATOM 287 O LYS A 21 12.150 28.828 -21.189 1.00 11.51 O ATOM 288 CB LYS A 21 11.707 30.971 -19.364 1.00 64.13 C ATOM 289 CG LYS A 21 11.161 32.178 -18.615 1.00 14.34 C ATOM 290 CD LYS A 21 12.040 33.394 -18.840 1.00 31.05 C ATOM 291 CE LYS A 21 11.531 34.608 -18.093 1.00 12.44 C ATOM 292 NZ LYS A 21 12.336 35.806 -18.406 1.00 32.25 N ATOM 0 H LYS A 21 9.909 30.620 -21.446 1.00 40.52 H new ATOM 0 HA LYS A 21 12.480 32.044 -21.026 1.00 61.23 H new ATOM 0 HB2 LYS A 21 11.052 30.119 -19.181 1.00 64.13 H new ATOM 0 HB3 LYS A 21 12.684 30.716 -18.953 1.00 64.13 H new ATOM 0 HG2 LYS A 21 10.146 32.391 -18.950 1.00 14.34 H new ATOM 0 HG3 LYS A 21 11.105 31.956 -17.549 1.00 14.34 H new ATOM 0 HD2 LYS A 21 13.057 33.171 -18.518 1.00 31.05 H new ATOM 0 HD3 LYS A 21 12.085 33.617 -19.906 1.00 31.05 H new ATOM 0 HE2 LYS A 21 10.489 34.789 -18.355 1.00 12.44 H new ATOM 0 HE3 LYS A 21 11.561 34.417 -17.020 1.00 12.44 H new ATOM 0 HZ1 LYS A 21 11.963 36.622 -17.880 1.00 32.25 H new ATOM 0 HZ2 LYS A 21 13.326 35.640 -18.133 1.00 32.25 H new ATOM 0 HZ3 LYS A 21 12.286 36.001 -19.426 1.00 32.25 H new ATOM 306 N PRO A 22 13.406 30.176 -22.478 1.00 45.12 N ATOM 307 CA PRO A 22 14.064 29.111 -23.213 1.00 13.34 C ATOM 308 C PRO A 22 15.258 28.575 -22.447 1.00 22.32 C ATOM 309 O PRO A 22 16.258 29.282 -22.236 1.00 73.13 O ATOM 310 CB PRO A 22 14.526 29.794 -24.515 1.00 63.02 C ATOM 311 CG PRO A 22 14.219 31.257 -24.356 1.00 74.24 C ATOM 312 CD PRO A 22 13.893 31.485 -22.907 1.00 41.05 C ATOM 0 HA PRO A 22 13.407 28.258 -23.386 1.00 13.34 H new ATOM 0 HB2 PRO A 22 15.592 29.636 -24.680 1.00 63.02 H new ATOM 0 HB3 PRO A 22 14.005 29.379 -25.378 1.00 63.02 H new ATOM 0 HG2 PRO A 22 15.072 31.865 -24.659 1.00 74.24 H new ATOM 0 HG3 PRO A 22 13.380 31.546 -24.990 1.00 74.24 H new ATOM 0 HD2 PRO A 22 14.769 31.797 -22.339 1.00 41.05 H new ATOM 0 HD3 PRO A 22 13.137 32.260 -22.779 1.00 41.05 H new ATOM 320 N GLU A 23 15.178 27.353 -22.043 1.00 13.13 N ATOM 321 CA GLU A 23 16.177 26.748 -21.208 1.00 10.24 C ATOM 322 C GLU A 23 16.585 25.434 -21.832 1.00 3.35 C ATOM 323 O GLU A 23 15.970 24.988 -22.823 1.00 62.03 O ATOM 324 CB GLU A 23 15.546 26.432 -19.849 1.00 63.12 C ATOM 325 CG GLU A 23 14.889 27.613 -19.165 1.00 74.52 C ATOM 326 CD GLU A 23 14.216 27.230 -17.881 1.00 21.43 C ATOM 327 OE1 GLU A 23 13.274 26.388 -17.900 1.00 11.45 O ATOM 328 OE2 GLU A 23 14.595 27.765 -16.818 1.00 63.54 O ATOM 0 H GLU A 23 14.407 26.730 -22.284 1.00 13.13 H new ATOM 0 HA GLU A 23 17.032 27.416 -21.099 1.00 10.24 H new ATOM 0 HB2 GLU A 23 14.801 25.647 -19.983 1.00 63.12 H new ATOM 0 HB3 GLU A 23 16.317 26.031 -19.191 1.00 63.12 H new ATOM 0 HG2 GLU A 23 15.640 28.377 -18.964 1.00 74.52 H new ATOM 0 HG3 GLU A 23 14.155 28.057 -19.838 1.00 74.52 H new ATOM 335 N GLN A 24 17.608 24.821 -21.282 1.00 0.52 N ATOM 336 CA GLN A 24 17.870 23.450 -21.557 1.00 11.12 C ATOM 337 C GLN A 24 17.093 22.740 -20.548 1.00 13.15 C ATOM 338 O GLN A 24 17.198 23.082 -19.367 1.00 2.41 O ATOM 339 CB GLN A 24 19.321 23.038 -21.456 1.00 45.45 C ATOM 340 CG GLN A 24 20.208 23.672 -22.463 1.00 54.24 C ATOM 341 CD GLN A 24 20.603 25.089 -22.100 1.00 2.24 C ATOM 342 OE1 GLN A 24 20.685 25.444 -20.920 1.00 2.53 O ATOM 343 NE2 GLN A 24 20.878 25.888 -23.087 1.00 35.21 N ATOM 0 H GLN A 24 18.267 25.262 -20.641 1.00 0.52 H new ATOM 0 HA GLN A 24 17.606 23.228 -22.591 1.00 11.12 H new ATOM 0 HB2 GLN A 24 19.688 23.284 -20.460 1.00 45.45 H new ATOM 0 HB3 GLN A 24 19.387 21.955 -21.561 1.00 45.45 H new ATOM 0 HG2 GLN A 24 21.108 23.068 -22.577 1.00 54.24 H new ATOM 0 HG3 GLN A 24 19.704 23.678 -23.430 1.00 54.24 H new ATOM 0 HE21 GLN A 24 20.798 25.557 -24.049 1.00 35.21 H new ATOM 0 HE22 GLN A 24 21.174 26.846 -22.900 1.00 35.21 H new ATOM 352 N ARG A 25 16.402 21.759 -20.920 1.00 1.32 N ATOM 353 CA ARG A 25 15.676 20.930 -19.996 1.00 1.42 C ATOM 354 C ARG A 25 15.885 19.548 -20.365 1.00 52.42 C ATOM 355 O ARG A 25 16.507 19.320 -21.362 1.00 42.32 O ATOM 356 CB ARG A 25 14.235 21.259 -19.952 1.00 70.43 C ATOM 357 CG ARG A 25 13.957 22.640 -19.354 1.00 43.31 C ATOM 358 CD ARG A 25 14.578 22.694 -17.984 1.00 3.22 C ATOM 359 NE ARG A 25 14.344 23.918 -17.234 1.00 13.04 N ATOM 360 CZ ARG A 25 14.842 24.136 -16.009 1.00 13.22 C ATOM 361 NH1 ARG A 25 15.763 23.309 -15.496 1.00 1.41 N ATOM 362 NH2 ARG A 25 14.470 25.202 -15.330 1.00 63.14 N ATOM 0 H ARG A 25 16.303 21.478 -21.895 1.00 1.32 H new ATOM 0 HA ARG A 25 16.053 21.112 -18.990 1.00 1.42 H new ATOM 0 HB2 ARG A 25 13.827 21.217 -20.962 1.00 70.43 H new ATOM 0 HB3 ARG A 25 13.713 20.503 -19.366 1.00 70.43 H new ATOM 0 HG2 ARG A 25 14.373 23.421 -19.991 1.00 43.31 H new ATOM 0 HG3 ARG A 25 12.883 22.818 -19.292 1.00 43.31 H new ATOM 0 HD2 ARG A 25 14.200 21.854 -17.401 1.00 3.22 H new ATOM 0 HD3 ARG A 25 15.654 22.553 -18.087 1.00 3.22 H new ATOM 0 HE ARG A 25 13.772 24.647 -17.662 1.00 13.04 H new ATOM 0 HH11 ARG A 25 16.089 22.509 -16.038 1.00 1.41 H new ATOM 0 HH12 ARG A 25 16.139 23.480 -14.563 1.00 1.41 H new ATOM 0 HH21 ARG A 25 13.804 25.859 -15.737 1.00 63.14 H new ATOM 0 HH22 ARG A 25 14.848 25.370 -14.397 1.00 63.14 H new ATOM 376 N ILE A 26 15.354 18.618 -19.628 1.00 15.41 N ATOM 377 CA ILE A 26 15.778 17.273 -19.833 1.00 54.23 C ATOM 378 C ILE A 26 14.571 16.306 -19.772 1.00 3.21 C ATOM 379 O ILE A 26 13.793 16.378 -18.856 1.00 5.44 O ATOM 380 CB ILE A 26 16.725 16.894 -18.649 1.00 41.22 C ATOM 381 CG1 ILE A 26 17.831 17.921 -18.451 1.00 75.13 C ATOM 382 CG2 ILE A 26 17.400 15.592 -18.956 1.00 21.52 C ATOM 383 CD1 ILE A 26 18.482 17.816 -17.100 1.00 61.22 C ATOM 0 H ILE A 26 14.650 18.761 -18.904 1.00 15.41 H new ATOM 0 HA ILE A 26 16.265 17.194 -20.805 1.00 54.23 H new ATOM 0 HB ILE A 26 16.109 16.842 -17.751 1.00 41.22 H new ATOM 0 HG12 ILE A 26 18.587 17.790 -19.226 1.00 75.13 H new ATOM 0 HG13 ILE A 26 17.418 18.922 -18.575 1.00 75.13 H new ATOM 0 HG21 ILE A 26 18.062 15.323 -18.133 1.00 21.52 H new ATOM 0 HG22 ILE A 26 16.648 14.814 -19.086 1.00 21.52 H new ATOM 0 HG23 ILE A 26 17.982 15.691 -19.872 1.00 21.52 H new ATOM 0 HD11 ILE A 26 19.263 18.571 -17.013 1.00 61.22 H new ATOM 0 HD12 ILE A 26 17.735 17.975 -16.323 1.00 61.22 H new ATOM 0 HD13 ILE A 26 18.921 16.825 -16.984 1.00 61.22 H new ATOM 395 N TYR A 27 14.405 15.460 -20.754 1.00 70.21 N ATOM 396 CA TYR A 27 13.194 14.640 -20.860 1.00 21.43 C ATOM 397 C TYR A 27 13.680 13.270 -21.312 1.00 40.13 C ATOM 398 O TYR A 27 14.787 13.150 -21.867 1.00 52.00 O ATOM 399 CB TYR A 27 12.222 15.228 -21.930 1.00 63.12 C ATOM 400 CG TYR A 27 12.704 15.121 -23.353 1.00 42.34 C ATOM 401 CD1 TYR A 27 13.570 16.038 -23.898 1.00 2.22 C ATOM 402 CD2 TYR A 27 12.279 14.059 -24.145 1.00 4.42 C ATOM 403 CE1 TYR A 27 14.005 15.887 -25.215 1.00 72.31 C ATOM 404 CE2 TYR A 27 12.704 13.907 -25.429 1.00 74.01 C ATOM 405 CZ TYR A 27 13.569 14.815 -25.965 1.00 62.04 C ATOM 406 OH TYR A 27 13.991 14.661 -27.272 1.00 70.23 O ATOM 0 H TYR A 27 15.085 15.310 -21.500 1.00 70.21 H new ATOM 0 HA TYR A 27 12.652 14.603 -19.915 1.00 21.43 H new ATOM 0 HB2 TYR A 27 11.263 14.717 -21.848 1.00 63.12 H new ATOM 0 HB3 TYR A 27 12.045 16.279 -21.700 1.00 63.12 H new ATOM 0 HD1 TYR A 27 13.914 16.875 -23.308 1.00 2.22 H new ATOM 0 HD2 TYR A 27 11.593 13.336 -23.730 1.00 4.42 H new ATOM 0 HE1 TYR A 27 14.682 16.609 -25.647 1.00 72.31 H new ATOM 0 HE2 TYR A 27 12.358 13.072 -26.020 1.00 74.01 H new ATOM 0 HH TYR A 27 13.589 13.852 -27.653 1.00 70.23 H new ATOM 416 N TYR A 28 12.899 12.235 -21.072 1.00 35.14 N ATOM 417 CA TYR A 28 13.256 10.891 -21.434 1.00 60.43 C ATOM 418 C TYR A 28 12.861 10.630 -22.906 1.00 3.24 C ATOM 419 O TYR A 28 11.785 10.998 -23.368 1.00 31.52 O ATOM 420 CB TYR A 28 12.626 9.881 -20.435 1.00 53.33 C ATOM 421 CG TYR A 28 12.776 8.387 -20.734 1.00 64.20 C ATOM 422 CD1 TYR A 28 13.861 7.656 -20.328 1.00 23.51 C ATOM 423 CD2 TYR A 28 11.758 7.710 -21.357 1.00 25.51 C ATOM 424 CE1 TYR A 28 13.906 6.291 -20.539 1.00 33.12 C ATOM 425 CE2 TYR A 28 11.800 6.379 -21.582 1.00 74.42 C ATOM 426 CZ TYR A 28 12.861 5.671 -21.171 1.00 4.24 C ATOM 427 OH TYR A 28 12.872 4.320 -21.363 1.00 64.31 O ATOM 0 H TYR A 28 11.990 12.312 -20.615 1.00 35.14 H new ATOM 0 HA TYR A 28 14.335 10.753 -21.366 1.00 60.43 H new ATOM 0 HB2 TYR A 28 13.058 10.070 -19.452 1.00 53.33 H new ATOM 0 HB3 TYR A 28 11.561 10.102 -20.363 1.00 53.33 H new ATOM 0 HD1 TYR A 28 14.688 8.150 -19.839 1.00 23.51 H new ATOM 0 HD2 TYR A 28 10.889 8.263 -21.680 1.00 25.51 H new ATOM 0 HE1 TYR A 28 14.759 5.717 -20.208 1.00 33.12 H new ATOM 0 HE2 TYR A 28 10.983 5.888 -22.090 1.00 74.42 H new ATOM 0 HH TYR A 28 12.052 4.049 -21.826 1.00 64.31 H new ATOM 437 N ASN A 29 13.787 10.065 -23.598 1.00 53.30 N ATOM 438 CA ASN A 29 13.482 9.675 -24.972 1.00 52.13 C ATOM 439 C ASN A 29 12.567 8.491 -24.920 1.00 12.53 C ATOM 440 O ASN A 29 12.784 7.540 -24.205 1.00 21.43 O ATOM 441 CB ASN A 29 14.699 9.235 -25.757 1.00 30.45 C ATOM 442 CG ASN A 29 15.728 10.269 -26.045 1.00 41.03 C ATOM 443 OD1 ASN A 29 16.897 9.964 -26.036 1.00 23.35 O ATOM 444 ND2 ASN A 29 15.316 11.430 -26.452 1.00 25.42 N ATOM 0 H ASN A 29 14.732 9.859 -23.273 1.00 53.30 H new ATOM 0 HA ASN A 29 13.051 10.548 -25.462 1.00 52.13 H new ATOM 0 HB2 ASN A 29 15.179 8.423 -25.211 1.00 30.45 H new ATOM 0 HB3 ASN A 29 14.358 8.823 -26.707 1.00 30.45 H new ATOM 0 HD21 ASN A 29 15.988 12.124 -26.780 1.00 25.42 H new ATOM 0 HD22 ASN A 29 14.320 11.649 -26.444 1.00 25.42 H new ATOM 451 N SER A 30 11.664 8.526 -25.873 1.00 42.43 N ATOM 452 CA SER A 30 10.501 7.654 -25.986 1.00 73.25 C ATOM 453 C SER A 30 11.021 6.383 -26.689 1.00 24.53 C ATOM 454 O SER A 30 11.016 5.288 -26.149 1.00 64.50 O ATOM 455 CB SER A 30 9.496 8.369 -26.898 1.00 31.52 C ATOM 456 OG SER A 30 9.226 9.675 -26.407 1.00 55.52 O ATOM 0 H SER A 30 11.718 9.200 -26.637 1.00 42.43 H new ATOM 0 HA SER A 30 10.030 7.418 -25.032 1.00 73.25 H new ATOM 0 HB2 SER A 30 9.893 8.429 -27.911 1.00 31.52 H new ATOM 0 HB3 SER A 30 8.571 7.795 -26.952 1.00 31.52 H new ATOM 0 HG SER A 30 8.484 9.637 -25.768 1.00 55.52 H new ATOM 462 N ALA A 31 11.465 6.619 -27.938 1.00 31.43 N ATOM 463 CA ALA A 31 12.122 5.588 -28.766 1.00 15.24 C ATOM 464 C ALA A 31 13.364 5.014 -28.064 1.00 10.44 C ATOM 465 O ALA A 31 13.514 3.826 -27.788 1.00 3.40 O ATOM 466 CB ALA A 31 12.503 6.158 -30.120 1.00 22.44 C ATOM 0 H ALA A 31 11.379 7.524 -28.400 1.00 31.43 H new ATOM 0 HA ALA A 31 11.410 4.775 -28.911 1.00 15.24 H new ATOM 0 HB1 ALA A 31 12.986 5.385 -30.717 1.00 22.44 H new ATOM 0 HB2 ALA A 31 11.607 6.506 -30.633 1.00 22.44 H new ATOM 0 HB3 ALA A 31 13.190 6.993 -29.983 1.00 22.44 H new ATOM 472 N LYS A 32 14.234 5.982 -27.821 1.00 73.35 N ATOM 473 CA LYS A 32 15.673 5.774 -27.559 1.00 51.43 C ATOM 474 C LYS A 32 16.017 5.426 -26.127 1.00 30.03 C ATOM 475 O LYS A 32 17.087 4.917 -25.798 1.00 2.31 O ATOM 476 CB LYS A 32 16.401 7.065 -27.870 1.00 1.42 C ATOM 477 CG LYS A 32 16.118 7.612 -29.233 1.00 11.01 C ATOM 478 CD LYS A 32 16.957 8.836 -29.500 1.00 14.44 C ATOM 479 CE LYS A 32 16.621 9.461 -30.842 1.00 63.44 C ATOM 480 NZ LYS A 32 17.433 10.666 -31.105 1.00 64.14 N ATOM 0 H LYS A 32 13.964 6.965 -27.797 1.00 73.35 H new ATOM 0 HA LYS A 32 15.967 4.930 -28.182 1.00 51.43 H new ATOM 0 HB2 LYS A 32 16.127 7.813 -27.126 1.00 1.42 H new ATOM 0 HB3 LYS A 32 17.474 6.897 -27.773 1.00 1.42 H new ATOM 0 HG2 LYS A 32 16.325 6.852 -29.986 1.00 11.01 H new ATOM 0 HG3 LYS A 32 15.061 7.864 -29.317 1.00 11.01 H new ATOM 0 HD2 LYS A 32 16.798 9.567 -28.707 1.00 14.44 H new ATOM 0 HD3 LYS A 32 18.013 8.566 -29.478 1.00 14.44 H new ATOM 0 HE2 LYS A 32 16.787 8.731 -31.634 1.00 63.44 H new ATOM 0 HE3 LYS A 32 15.563 9.723 -30.866 1.00 63.44 H new ATOM 0 HZ1 LYS A 32 17.174 11.064 -32.030 1.00 64.14 H new ATOM 0 HZ2 LYS A 32 17.256 11.373 -30.363 1.00 64.14 H new ATOM 0 HZ3 LYS A 32 18.441 10.411 -31.107 1.00 64.14 H new ATOM 494 N LYS A 33 14.999 5.684 -25.321 1.00 64.21 N ATOM 495 CA LYS A 33 14.978 5.304 -23.917 1.00 33.20 C ATOM 496 C LYS A 33 16.196 5.836 -23.155 1.00 73.41 C ATOM 497 O LYS A 33 16.868 5.128 -22.424 1.00 65.04 O ATOM 498 CB LYS A 33 14.805 3.802 -23.833 1.00 31.42 C ATOM 499 CG LYS A 33 13.512 3.491 -24.498 1.00 3.42 C ATOM 500 CD LYS A 33 13.053 2.100 -24.436 1.00 41.20 C ATOM 501 CE LYS A 33 11.667 2.162 -24.962 1.00 34.34 C ATOM 502 NZ LYS A 33 10.990 0.851 -25.015 1.00 41.31 N ATOM 0 H LYS A 33 14.155 6.168 -25.627 1.00 64.21 H new ATOM 0 HA LYS A 33 14.131 5.771 -23.415 1.00 33.20 H new ATOM 0 HB2 LYS A 33 15.629 3.288 -24.327 1.00 31.42 H new ATOM 0 HB3 LYS A 33 14.798 3.469 -22.795 1.00 31.42 H new ATOM 0 HG2 LYS A 33 12.742 4.123 -24.055 1.00 3.42 H new ATOM 0 HG3 LYS A 33 13.593 3.775 -25.547 1.00 3.42 H new ATOM 0 HD2 LYS A 33 13.681 1.444 -25.039 1.00 41.20 H new ATOM 0 HD3 LYS A 33 13.077 1.716 -23.416 1.00 41.20 H new ATOM 0 HE2 LYS A 33 11.082 2.838 -24.338 1.00 34.34 H new ATOM 0 HE3 LYS A 33 11.688 2.591 -25.964 1.00 34.34 H new ATOM 0 HZ1 LYS A 33 10.028 0.972 -25.392 1.00 41.31 H new ATOM 0 HZ2 LYS A 33 11.526 0.208 -25.633 1.00 41.31 H new ATOM 0 HZ3 LYS A 33 10.939 0.448 -24.058 1.00 41.31 H new ATOM 516 N GLN A 34 16.455 7.089 -23.417 1.00 1.20 N ATOM 517 CA GLN A 34 17.567 7.848 -22.840 1.00 3.03 C ATOM 518 C GLN A 34 16.938 9.046 -22.161 1.00 53.51 C ATOM 519 O GLN A 34 15.746 9.141 -22.080 1.00 20.40 O ATOM 520 CB GLN A 34 18.533 8.347 -23.924 1.00 44.22 C ATOM 521 CG GLN A 34 19.090 7.284 -24.845 1.00 50.42 C ATOM 522 CD GLN A 34 20.072 7.859 -25.841 1.00 25.44 C ATOM 523 OE1 GLN A 34 21.274 7.886 -25.602 1.00 53.43 O ATOM 524 NE2 GLN A 34 19.574 8.377 -26.922 1.00 54.15 N ATOM 0 H GLN A 34 15.886 7.642 -24.059 1.00 1.20 H new ATOM 0 HA GLN A 34 18.139 7.221 -22.157 1.00 3.03 H new ATOM 0 HB2 GLN A 34 18.017 9.092 -24.529 1.00 44.22 H new ATOM 0 HB3 GLN A 34 19.367 8.853 -23.437 1.00 44.22 H new ATOM 0 HG2 GLN A 34 19.583 6.513 -24.253 1.00 50.42 H new ATOM 0 HG3 GLN A 34 18.272 6.801 -25.379 1.00 50.42 H new ATOM 0 HE21 GLN A 34 18.569 8.337 -27.090 1.00 54.15 H new ATOM 0 HE22 GLN A 34 20.188 8.824 -27.603 1.00 54.15 H new ATOM 533 N CYS A 35 17.739 9.972 -21.742 1.00 51.23 N ATOM 534 CA CYS A 35 17.218 11.171 -21.113 1.00 24.45 C ATOM 535 C CYS A 35 18.034 12.212 -21.735 1.00 51.03 C ATOM 536 O CYS A 35 19.255 12.201 -21.548 1.00 3.25 O ATOM 537 CB CYS A 35 17.356 11.219 -19.589 1.00 20.35 C ATOM 538 SG CYS A 35 16.526 12.670 -18.832 1.00 4.25 S ATOM 0 H CYS A 35 18.755 9.934 -21.818 1.00 51.23 H new ATOM 0 HA CYS A 35 16.141 11.260 -21.259 1.00 24.45 H new ATOM 0 HB2 CYS A 35 16.937 10.307 -19.164 1.00 20.35 H new ATOM 0 HB3 CYS A 35 18.414 11.236 -19.327 1.00 20.35 H new ATOM 543 N VAL A 36 17.484 13.077 -22.506 1.00 23.41 N ATOM 544 CA VAL A 36 18.245 13.995 -23.269 1.00 54.24 C ATOM 545 C VAL A 36 17.627 15.342 -23.026 1.00 11.02 C ATOM 546 O VAL A 36 16.540 15.437 -22.464 1.00 34.24 O ATOM 547 CB VAL A 36 18.209 13.679 -24.802 1.00 61.33 C ATOM 548 CG1 VAL A 36 18.644 12.261 -25.097 1.00 72.42 C ATOM 549 CG2 VAL A 36 16.835 13.903 -25.378 1.00 44.15 C ATOM 0 H VAL A 36 16.475 13.168 -22.626 1.00 23.41 H new ATOM 0 HA VAL A 36 19.292 13.945 -22.969 1.00 54.24 H new ATOM 0 HB VAL A 36 18.913 14.366 -25.272 1.00 61.33 H new ATOM 0 HG11 VAL A 36 18.604 12.084 -26.172 1.00 72.42 H new ATOM 0 HG12 VAL A 36 19.664 12.112 -24.742 1.00 72.42 H new ATOM 0 HG13 VAL A 36 17.978 11.563 -24.590 1.00 72.42 H new ATOM 0 HG21 VAL A 36 16.846 13.674 -26.444 1.00 44.15 H new ATOM 0 HG22 VAL A 36 16.119 13.253 -24.875 1.00 44.15 H new ATOM 0 HG23 VAL A 36 16.545 14.944 -25.233 1.00 44.15 H new ATOM 559 N THR A 37 18.303 16.363 -23.420 1.00 34.43 N ATOM 560 CA THR A 37 17.810 17.675 -23.258 1.00 64.41 C ATOM 561 C THR A 37 16.891 18.126 -24.383 1.00 62.31 C ATOM 562 O THR A 37 16.934 17.590 -25.502 1.00 1.10 O ATOM 563 CB THR A 37 18.969 18.673 -23.027 1.00 55.01 C ATOM 564 OG1 THR A 37 19.940 18.550 -24.072 1.00 75.31 O ATOM 565 CG2 THR A 37 19.617 18.429 -21.681 1.00 24.22 C ATOM 0 H THR A 37 19.219 16.306 -23.866 1.00 34.43 H new ATOM 0 HA THR A 37 17.184 17.660 -22.366 1.00 64.41 H new ATOM 0 HB THR A 37 18.564 19.685 -23.038 1.00 55.01 H new ATOM 0 HG1 THR A 37 20.669 19.187 -23.918 1.00 75.31 H new ATOM 0 HG21 THR A 37 20.430 19.140 -21.535 1.00 24.22 H new ATOM 0 HG22 THR A 37 18.876 18.558 -20.892 1.00 24.22 H new ATOM 0 HG23 THR A 37 20.012 17.414 -21.646 1.00 24.22 H new ATOM 573 N PHE A 38 16.060 19.101 -24.071 1.00 71.12 N ATOM 574 CA PHE A 38 15.169 19.649 -25.009 1.00 13.04 C ATOM 575 C PHE A 38 15.083 21.095 -24.763 1.00 73.14 C ATOM 576 O PHE A 38 15.461 21.600 -23.684 1.00 53.13 O ATOM 577 CB PHE A 38 13.766 19.106 -24.932 1.00 63.33 C ATOM 578 CG PHE A 38 12.921 19.424 -23.751 1.00 54.20 C ATOM 579 CD1 PHE A 38 13.087 18.842 -22.519 1.00 72.50 C ATOM 580 CD2 PHE A 38 11.891 20.306 -23.939 1.00 51.11 C ATOM 581 CE1 PHE A 38 12.230 19.149 -21.495 1.00 50.24 C ATOM 582 CE2 PHE A 38 11.042 20.632 -22.949 1.00 10.33 C ATOM 583 CZ PHE A 38 11.203 20.050 -21.708 1.00 71.21 C ATOM 0 H PHE A 38 16.003 19.522 -23.144 1.00 71.12 H new ATOM 0 HA PHE A 38 15.563 19.390 -25.992 1.00 13.04 H new ATOM 0 HB2 PHE A 38 13.233 19.452 -25.818 1.00 63.33 H new ATOM 0 HB3 PHE A 38 13.832 18.020 -25.004 1.00 63.33 H new ATOM 0 HD1 PHE A 38 13.893 18.142 -22.357 1.00 72.50 H new ATOM 0 HD2 PHE A 38 11.756 20.754 -24.913 1.00 51.11 H new ATOM 0 HE1 PHE A 38 12.356 18.689 -20.526 1.00 50.24 H new ATOM 0 HE2 PHE A 38 10.245 21.340 -23.122 1.00 10.33 H new ATOM 0 HZ PHE A 38 10.527 20.298 -20.903 1.00 71.21 H new ATOM 593 N THR A 39 14.621 21.740 -25.738 1.00 64.40 N ATOM 594 CA THR A 39 14.389 23.135 -25.733 1.00 41.34 C ATOM 595 C THR A 39 13.079 23.383 -24.991 1.00 0.24 C ATOM 596 O THR A 39 12.002 23.084 -25.498 1.00 40.42 O ATOM 597 CB THR A 39 14.165 23.580 -27.175 1.00 53.21 C ATOM 598 OG1 THR A 39 15.270 23.152 -27.996 1.00 55.31 O ATOM 599 CG2 THR A 39 14.014 25.086 -27.276 1.00 34.13 C ATOM 0 H THR A 39 14.374 21.296 -26.623 1.00 64.40 H new ATOM 0 HA THR A 39 15.224 23.664 -25.274 1.00 41.34 H new ATOM 0 HB THR A 39 13.241 23.121 -27.526 1.00 53.21 H new ATOM 0 HG1 THR A 39 15.120 23.439 -28.921 1.00 55.31 H new ATOM 0 HG21 THR A 39 13.856 25.367 -28.317 1.00 34.13 H new ATOM 0 HG22 THR A 39 13.160 25.407 -26.680 1.00 34.13 H new ATOM 0 HG23 THR A 39 14.918 25.568 -26.903 1.00 34.13 H new ATOM 607 N TYR A 40 13.181 23.879 -23.803 1.00 1.45 N ATOM 608 CA TYR A 40 11.976 24.156 -23.084 1.00 54.54 C ATOM 609 C TYR A 40 11.716 25.618 -23.091 1.00 23.42 C ATOM 610 O TYR A 40 12.486 26.369 -22.517 1.00 41.21 O ATOM 611 CB TYR A 40 12.054 23.607 -21.659 1.00 2.21 C ATOM 612 CG TYR A 40 10.816 23.782 -20.744 1.00 52.23 C ATOM 613 CD1 TYR A 40 10.658 24.926 -19.978 1.00 75.23 C ATOM 614 CD2 TYR A 40 9.833 22.779 -20.617 1.00 52.01 C ATOM 615 CE1 TYR A 40 9.577 25.080 -19.130 1.00 14.24 C ATOM 616 CE2 TYR A 40 8.754 22.939 -19.779 1.00 33.03 C ATOM 617 CZ TYR A 40 8.628 24.089 -19.039 1.00 5.31 C ATOM 618 OH TYR A 40 7.547 24.242 -18.183 1.00 45.25 O ATOM 0 H TYR A 40 14.053 24.096 -23.320 1.00 1.45 H new ATOM 0 HA TYR A 40 11.143 23.655 -23.576 1.00 54.54 H new ATOM 0 HB2 TYR A 40 12.274 22.541 -21.723 1.00 2.21 H new ATOM 0 HB3 TYR A 40 12.904 24.079 -21.165 1.00 2.21 H new ATOM 0 HD1 TYR A 40 11.394 25.713 -20.045 1.00 75.23 H new ATOM 0 HD2 TYR A 40 9.929 21.868 -21.189 1.00 52.01 H new ATOM 0 HE1 TYR A 40 9.478 25.979 -18.539 1.00 14.24 H new ATOM 0 HE2 TYR A 40 8.008 22.162 -19.703 1.00 33.03 H new ATOM 0 HH TYR A 40 6.970 23.452 -18.240 1.00 45.25 H new ATOM 628 N ASN A 41 10.704 26.032 -23.809 1.00 53.41 N ATOM 629 CA ASN A 41 10.441 27.434 -23.951 1.00 70.25 C ATOM 630 C ASN A 41 9.487 27.864 -22.889 1.00 21.24 C ATOM 631 O ASN A 41 9.436 29.036 -22.528 1.00 12.41 O ATOM 632 CB ASN A 41 9.925 27.798 -25.339 1.00 54.51 C ATOM 633 CG ASN A 41 10.884 27.493 -26.472 1.00 13.34 C ATOM 634 OD1 ASN A 41 12.094 27.483 -26.298 1.00 43.11 O ATOM 635 ND2 ASN A 41 10.343 27.277 -27.650 1.00 52.25 N ATOM 0 H ASN A 41 10.054 25.419 -24.301 1.00 53.41 H new ATOM 0 HA ASN A 41 11.384 27.969 -23.834 1.00 70.25 H new ATOM 0 HB2 ASN A 41 8.992 27.263 -25.517 1.00 54.51 H new ATOM 0 HB3 ASN A 41 9.690 28.862 -25.357 1.00 54.51 H new ATOM 0 HD21 ASN A 41 10.937 27.093 -28.458 1.00 52.25 H new ATOM 0 HD22 ASN A 41 9.329 27.293 -27.756 1.00 52.25 H new ATOM 642 N GLY A 42 8.670 26.932 -22.429 1.00 53.44 N ATOM 643 CA GLY A 42 7.964 27.182 -21.220 1.00 74.12 C ATOM 644 C GLY A 42 6.494 27.458 -21.301 1.00 64.33 C ATOM 645 O GLY A 42 5.942 27.944 -20.314 1.00 62.52 O ATOM 0 H GLY A 42 8.493 26.029 -22.869 1.00 53.44 H new ATOM 0 HA2 GLY A 42 8.105 26.320 -20.568 1.00 74.12 H new ATOM 0 HA3 GLY A 42 8.436 28.033 -20.729 1.00 74.12 H new ATOM 649 N LYS A 43 5.800 27.202 -22.402 1.00 61.10 N ATOM 650 CA LYS A 43 4.382 27.472 -22.491 1.00 35.43 C ATOM 651 C LYS A 43 3.691 26.245 -23.126 1.00 75.24 C ATOM 652 O LYS A 43 3.863 25.105 -22.693 1.00 73.44 O ATOM 653 CB LYS A 43 4.148 28.689 -23.457 1.00 44.20 C ATOM 654 CG LYS A 43 4.911 29.965 -23.212 1.00 22.54 C ATOM 655 CD LYS A 43 4.308 31.121 -24.023 1.00 11.45 C ATOM 656 CE LYS A 43 2.897 31.462 -23.556 1.00 15.05 C ATOM 657 NZ LYS A 43 2.269 32.536 -24.357 1.00 62.24 N ATOM 0 H LYS A 43 6.206 26.804 -23.249 1.00 61.10 H new ATOM 0 HA LYS A 43 3.986 27.685 -21.498 1.00 35.43 H new ATOM 0 HB2 LYS A 43 4.377 28.356 -24.469 1.00 44.20 H new ATOM 0 HB3 LYS A 43 3.085 28.930 -23.434 1.00 44.20 H new ATOM 0 HG2 LYS A 43 4.890 30.209 -22.150 1.00 22.54 H new ATOM 0 HG3 LYS A 43 5.957 29.828 -23.487 1.00 22.54 H new ATOM 0 HD2 LYS A 43 4.944 32.001 -23.931 1.00 11.45 H new ATOM 0 HD3 LYS A 43 4.287 30.852 -25.079 1.00 11.45 H new ATOM 0 HE2 LYS A 43 2.277 30.567 -23.607 1.00 15.05 H new ATOM 0 HE3 LYS A 43 2.930 31.768 -22.510 1.00 15.05 H new ATOM 0 HZ1 LYS A 43 1.313 32.725 -23.995 1.00 62.24 H new ATOM 0 HZ2 LYS A 43 2.843 33.401 -24.289 1.00 62.24 H new ATOM 0 HZ3 LYS A 43 2.210 32.238 -25.352 1.00 62.24 H new ATOM 671 N GLY A 44 2.953 26.605 -24.155 1.00 23.02 N ATOM 672 CA GLY A 44 2.285 25.720 -25.085 1.00 14.04 C ATOM 673 C GLY A 44 2.592 24.241 -25.067 1.00 72.41 C ATOM 674 O GLY A 44 3.698 23.801 -25.412 1.00 12.35 O ATOM 0 H GLY A 44 2.794 27.587 -24.378 1.00 23.02 H new ATOM 0 HA2 GLY A 44 1.212 25.831 -24.926 1.00 14.04 H new ATOM 0 HA3 GLY A 44 2.498 26.084 -26.090 1.00 14.04 H new ATOM 678 N GLY A 45 1.582 23.496 -24.709 1.00 1.13 N ATOM 679 CA GLY A 45 1.629 22.084 -24.845 1.00 24.23 C ATOM 680 C GLY A 45 2.268 21.356 -23.694 1.00 10.01 C ATOM 681 O GLY A 45 2.236 21.803 -22.539 1.00 13.42 O ATOM 0 H GLY A 45 0.712 23.858 -24.318 1.00 1.13 H new ATOM 0 HA2 GLY A 45 0.612 21.712 -24.971 1.00 24.23 H new ATOM 0 HA3 GLY A 45 2.173 21.840 -25.757 1.00 24.23 H new ATOM 685 N ASN A 46 2.826 20.212 -24.055 1.00 73.42 N ATOM 686 CA ASN A 46 3.452 19.370 -23.030 1.00 51.25 C ATOM 687 C ASN A 46 4.656 19.924 -22.318 1.00 31.03 C ATOM 688 O ASN A 46 5.551 20.554 -22.854 1.00 4.43 O ATOM 689 CB ASN A 46 3.802 17.974 -23.573 1.00 73.34 C ATOM 690 CG ASN A 46 2.599 17.135 -23.946 1.00 30.34 C ATOM 691 OD1 ASN A 46 1.533 17.230 -23.330 1.00 22.41 O ATOM 692 ND2 ASN A 46 2.747 16.328 -24.963 1.00 2.34 N ATOM 0 H ASN A 46 2.863 19.849 -25.008 1.00 73.42 H new ATOM 0 HA ASN A 46 2.667 19.325 -22.275 1.00 51.25 H new ATOM 0 HB2 ASN A 46 4.439 18.087 -24.451 1.00 73.34 H new ATOM 0 HB3 ASN A 46 4.385 17.440 -22.823 1.00 73.34 H new ATOM 0 HD21 ASN A 46 1.966 15.749 -25.273 1.00 2.34 H new ATOM 0 HD22 ASN A 46 3.643 16.277 -25.447 1.00 2.34 H new ATOM 699 N GLY A 47 4.602 19.586 -21.065 1.00 11.03 N ATOM 700 CA GLY A 47 5.589 19.997 -20.134 1.00 35.01 C ATOM 701 C GLY A 47 6.381 18.862 -19.626 1.00 31.41 C ATOM 702 O GLY A 47 6.727 18.828 -18.441 1.00 40.15 O ATOM 0 H GLY A 47 3.861 19.011 -20.664 1.00 11.03 H new ATOM 0 HA2 GLY A 47 6.254 20.719 -20.607 1.00 35.01 H new ATOM 0 HA3 GLY A 47 5.109 20.506 -19.298 1.00 35.01 H new ATOM 706 N ASN A 48 6.626 17.894 -20.482 1.00 25.01 N ATOM 707 CA ASN A 48 7.502 16.809 -20.119 1.00 3.03 C ATOM 708 C ASN A 48 8.894 17.364 -20.001 1.00 34.31 C ATOM 709 O ASN A 48 9.582 17.554 -20.994 1.00 24.20 O ATOM 710 CB ASN A 48 7.492 15.665 -21.123 1.00 23.22 C ATOM 711 CG ASN A 48 8.398 14.542 -20.650 1.00 45.24 C ATOM 712 OD1 ASN A 48 8.572 14.340 -19.450 1.00 12.14 O ATOM 713 ND2 ASN A 48 8.972 13.812 -21.560 1.00 63.42 N ATOM 0 H ASN A 48 6.235 17.838 -21.422 1.00 25.01 H new ATOM 0 HA ASN A 48 7.150 16.390 -19.177 1.00 3.03 H new ATOM 0 HB2 ASN A 48 6.476 15.292 -21.250 1.00 23.22 H new ATOM 0 HB3 ASN A 48 7.824 16.024 -22.097 1.00 23.22 H new ATOM 0 HD21 ASN A 48 9.587 13.046 -21.286 1.00 63.42 H new ATOM 0 HD22 ASN A 48 8.807 14.005 -22.548 1.00 63.42 H new ATOM 720 N ASN A 49 9.267 17.640 -18.796 1.00 54.35 N ATOM 721 CA ASN A 49 10.473 18.281 -18.423 1.00 60.53 C ATOM 722 C ASN A 49 10.915 17.750 -17.099 1.00 20.12 C ATOM 723 O ASN A 49 10.128 17.731 -16.148 1.00 30.33 O ATOM 724 CB ASN A 49 10.216 19.791 -18.258 1.00 14.25 C ATOM 725 CG ASN A 49 11.412 20.543 -17.692 1.00 64.42 C ATOM 726 OD1 ASN A 49 12.544 20.155 -17.876 1.00 42.24 O ATOM 727 ND2 ASN A 49 11.160 21.619 -16.981 1.00 13.04 N ATOM 0 H ASN A 49 8.689 17.403 -17.989 1.00 54.35 H new ATOM 0 HA ASN A 49 11.229 18.101 -19.187 1.00 60.53 H new ATOM 0 HB2 ASN A 49 9.952 20.216 -19.226 1.00 14.25 H new ATOM 0 HB3 ASN A 49 9.358 19.938 -17.601 1.00 14.25 H new ATOM 0 HD21 ASN A 49 11.928 22.149 -16.569 1.00 13.04 H new ATOM 0 HD22 ASN A 49 10.197 21.924 -16.841 1.00 13.04 H new ATOM 734 N PHE A 50 12.114 17.286 -17.027 1.00 42.21 N ATOM 735 CA PHE A 50 12.724 16.976 -15.772 1.00 71.51 C ATOM 736 C PHE A 50 13.869 17.962 -15.670 1.00 22.30 C ATOM 737 O PHE A 50 14.640 18.110 -16.618 1.00 34.43 O ATOM 738 CB PHE A 50 13.178 15.463 -15.689 1.00 54.12 C ATOM 739 CG PHE A 50 12.034 14.532 -15.978 1.00 5.01 C ATOM 740 CD1 PHE A 50 11.070 14.281 -15.017 1.00 25.23 C ATOM 741 CD2 PHE A 50 11.907 13.933 -17.224 1.00 52.12 C ATOM 742 CE1 PHE A 50 10.001 13.456 -15.289 1.00 62.44 C ATOM 743 CE2 PHE A 50 10.844 13.102 -17.502 1.00 11.52 C ATOM 744 CZ PHE A 50 9.886 12.865 -16.535 1.00 40.52 C ATOM 0 H PHE A 50 12.706 17.108 -17.839 1.00 42.21 H new ATOM 0 HA PHE A 50 12.039 17.074 -14.930 1.00 71.51 H new ATOM 0 HB2 PHE A 50 13.984 15.284 -16.400 1.00 54.12 H new ATOM 0 HB3 PHE A 50 13.577 15.255 -14.696 1.00 54.12 H new ATOM 0 HD1 PHE A 50 11.157 14.738 -14.042 1.00 25.23 H new ATOM 0 HD2 PHE A 50 12.651 14.121 -17.984 1.00 52.12 H new ATOM 0 HE1 PHE A 50 9.254 13.271 -14.531 1.00 62.44 H new ATOM 0 HE2 PHE A 50 10.760 12.637 -18.473 1.00 11.52 H new ATOM 0 HZ PHE A 50 9.048 12.219 -16.751 1.00 40.52 H new ATOM 754 N SER A 51 13.995 18.662 -14.580 1.00 32.12 N ATOM 755 CA SER A 51 14.915 19.763 -14.469 1.00 11.32 C ATOM 756 C SER A 51 16.088 19.423 -13.612 1.00 1.34 C ATOM 757 O SER A 51 16.960 20.261 -13.379 1.00 1.30 O ATOM 758 CB SER A 51 14.161 20.967 -13.940 1.00 20.43 C ATOM 759 OG SER A 51 13.480 20.659 -12.727 1.00 65.54 O ATOM 0 H SER A 51 13.457 18.484 -13.732 1.00 32.12 H new ATOM 0 HA SER A 51 15.323 19.994 -15.453 1.00 11.32 H new ATOM 0 HB2 SER A 51 14.857 21.789 -13.770 1.00 20.43 H new ATOM 0 HB3 SER A 51 13.443 21.306 -14.687 1.00 20.43 H new ATOM 0 HG SER A 51 13.004 21.454 -12.408 1.00 65.54 H new ATOM 765 N ARG A 52 16.131 18.239 -13.161 1.00 52.42 N ATOM 766 CA ARG A 52 17.273 17.732 -12.522 1.00 41.43 C ATOM 767 C ARG A 52 17.656 16.531 -13.291 1.00 64.34 C ATOM 768 O ARG A 52 16.779 15.747 -13.699 1.00 11.41 O ATOM 769 CB ARG A 52 16.984 17.328 -11.086 1.00 41.53 C ATOM 770 CG ARG A 52 16.647 18.439 -10.120 1.00 21.13 C ATOM 771 CD ARG A 52 16.390 17.848 -8.748 1.00 73.21 C ATOM 772 NE ARG A 52 15.976 18.840 -7.762 1.00 21.43 N ATOM 773 CZ ARG A 52 15.339 18.554 -6.622 1.00 32.32 C ATOM 774 NH1 ARG A 52 15.015 17.298 -6.328 1.00 11.34 N ATOM 775 NH2 ARG A 52 15.019 19.520 -5.773 1.00 50.51 N ATOM 0 H ARG A 52 15.357 17.578 -13.226 1.00 52.42 H new ATOM 0 HA ARG A 52 18.057 18.488 -12.489 1.00 41.43 H new ATOM 0 HB2 ARG A 52 16.155 16.621 -11.093 1.00 41.53 H new ATOM 0 HB3 ARG A 52 17.854 16.796 -10.701 1.00 41.53 H new ATOM 0 HG2 ARG A 52 17.466 19.156 -10.072 1.00 21.13 H new ATOM 0 HG3 ARG A 52 15.768 18.983 -10.465 1.00 21.13 H new ATOM 0 HD2 ARG A 52 15.619 17.082 -8.828 1.00 73.21 H new ATOM 0 HD3 ARG A 52 17.296 17.353 -8.397 1.00 73.21 H new ATOM 0 HE ARG A 52 16.187 19.819 -7.956 1.00 21.43 H new ATOM 0 HH11 ARG A 52 15.253 16.545 -6.974 1.00 11.34 H new ATOM 0 HH12 ARG A 52 14.529 17.087 -5.456 1.00 11.34 H new ATOM 0 HH21 ARG A 52 15.259 20.488 -5.988 1.00 50.51 H new ATOM 0 HH22 ARG A 52 14.533 19.296 -4.905 1.00 50.51 H new ATOM 789 N THR A 53 18.936 16.391 -13.522 1.00 1.32 N ATOM 790 CA THR A 53 19.491 15.230 -14.156 1.00 31.43 C ATOM 791 C THR A 53 19.075 14.022 -13.306 1.00 41.55 C ATOM 792 O THR A 53 18.671 12.989 -13.820 1.00 71.33 O ATOM 793 CB THR A 53 21.035 15.332 -14.156 1.00 63.33 C ATOM 794 OG1 THR A 53 21.438 16.587 -14.739 1.00 31.10 O ATOM 795 CG2 THR A 53 21.660 14.190 -14.951 1.00 12.45 C ATOM 0 H THR A 53 19.631 17.094 -13.269 1.00 1.32 H new ATOM 0 HA THR A 53 19.140 15.139 -15.184 1.00 31.43 H new ATOM 0 HB THR A 53 21.379 15.269 -13.124 1.00 63.33 H new ATOM 0 HG1 THR A 53 22.416 16.650 -14.736 1.00 31.10 H new ATOM 0 HG21 THR A 53 22.746 14.287 -14.934 1.00 12.45 H new ATOM 0 HG22 THR A 53 21.374 13.237 -14.506 1.00 12.45 H new ATOM 0 HG23 THR A 53 21.308 14.229 -15.982 1.00 12.45 H new ATOM 803 N ASN A 54 19.096 14.233 -11.988 1.00 21.52 N ATOM 804 CA ASN A 54 18.717 13.229 -11.006 1.00 22.13 C ATOM 805 C ASN A 54 17.218 12.956 -11.025 1.00 64.23 C ATOM 806 O ASN A 54 16.788 11.859 -10.671 1.00 65.24 O ATOM 807 CB ASN A 54 19.158 13.640 -9.600 1.00 11.30 C ATOM 808 CG ASN A 54 20.662 13.738 -9.457 1.00 5.12 C ATOM 809 OD1 ASN A 54 21.417 12.993 -10.100 1.00 12.41 O ATOM 810 ND2 ASN A 54 21.111 14.645 -8.630 1.00 14.33 N ATOM 0 H ASN A 54 19.381 15.120 -11.573 1.00 21.52 H new ATOM 0 HA ASN A 54 19.231 12.308 -11.280 1.00 22.13 H new ATOM 0 HB2 ASN A 54 18.711 14.603 -9.352 1.00 11.30 H new ATOM 0 HB3 ASN A 54 18.776 12.917 -8.879 1.00 11.30 H new ATOM 0 HD21 ASN A 54 22.116 14.760 -8.495 1.00 14.33 H new ATOM 0 HD22 ASN A 54 20.457 15.238 -8.120 1.00 14.33 H new ATOM 817 N ASP A 55 16.420 13.924 -11.494 1.00 13.21 N ATOM 818 CA ASP A 55 14.970 13.714 -11.555 1.00 13.04 C ATOM 819 C ASP A 55 14.603 12.773 -12.618 1.00 34.32 C ATOM 820 O ASP A 55 13.706 11.940 -12.426 1.00 13.41 O ATOM 821 CB ASP A 55 14.102 14.969 -11.719 1.00 41.41 C ATOM 822 CG ASP A 55 14.062 15.902 -10.566 1.00 5.11 C ATOM 823 OD1 ASP A 55 14.117 15.449 -9.409 1.00 40.40 O ATOM 824 OD2 ASP A 55 13.929 17.105 -10.798 1.00 2.42 O ATOM 0 H ASP A 55 16.741 14.833 -11.827 1.00 13.21 H new ATOM 0 HA ASP A 55 14.753 13.314 -10.565 1.00 13.04 H new ATOM 0 HB2 ASP A 55 14.458 15.519 -12.590 1.00 41.41 H new ATOM 0 HB3 ASP A 55 13.082 14.652 -11.937 1.00 41.41 H new ATOM 829 N CYS A 56 15.240 12.884 -13.779 1.00 13.31 N ATOM 830 CA CYS A 56 14.937 11.915 -14.761 1.00 15.15 C ATOM 831 C CYS A 56 15.427 10.599 -14.402 1.00 61.43 C ATOM 832 O CYS A 56 14.843 9.686 -14.736 1.00 33.22 O ATOM 833 CB CYS A 56 15.226 12.224 -16.205 1.00 33.21 C ATOM 834 SG CYS A 56 16.854 12.705 -16.789 1.00 52.55 S ATOM 0 H CYS A 56 15.924 13.597 -14.031 1.00 13.31 H new ATOM 0 HA CYS A 56 13.848 11.939 -14.737 1.00 15.15 H new ATOM 0 HB2 CYS A 56 14.940 11.340 -16.775 1.00 33.21 H new ATOM 0 HB3 CYS A 56 14.544 13.023 -16.494 1.00 33.21 H new ATOM 839 N ARG A 57 16.494 10.514 -13.700 1.00 64.23 N ATOM 840 CA ARG A 57 16.993 9.204 -13.212 1.00 33.25 C ATOM 841 C ARG A 57 15.917 8.443 -12.453 1.00 50.12 C ATOM 842 O ARG A 57 15.738 7.246 -12.663 1.00 45.14 O ATOM 843 CB ARG A 57 18.209 9.402 -12.333 1.00 71.34 C ATOM 844 CG ARG A 57 19.238 10.179 -13.034 1.00 31.43 C ATOM 845 CD ARG A 57 20.581 10.102 -12.352 1.00 4.11 C ATOM 846 NE ARG A 57 21.177 8.752 -12.319 1.00 43.54 N ATOM 847 CZ ARG A 57 22.101 8.297 -13.194 1.00 65.01 C ATOM 848 NH1 ARG A 57 22.249 8.866 -14.380 1.00 71.23 N ATOM 849 NH2 ARG A 57 22.826 7.228 -12.901 1.00 35.24 N ATOM 0 H ARG A 57 17.067 11.314 -13.430 1.00 64.23 H new ATOM 0 HA ARG A 57 17.271 8.610 -14.082 1.00 33.25 H new ATOM 0 HB2 ARG A 57 17.921 9.916 -11.416 1.00 71.34 H new ATOM 0 HB3 ARG A 57 18.614 8.433 -12.041 1.00 71.34 H new ATOM 0 HG2 ARG A 57 19.331 9.814 -14.057 1.00 31.43 H new ATOM 0 HG3 ARG A 57 18.924 11.221 -13.095 1.00 31.43 H new ATOM 0 HD2 ARG A 57 21.271 10.777 -12.859 1.00 4.11 H new ATOM 0 HD3 ARG A 57 20.476 10.463 -11.329 1.00 4.11 H new ATOM 0 HE ARG A 57 20.869 8.117 -11.583 1.00 43.54 H new ATOM 0 HH11 ARG A 57 21.662 9.658 -14.643 1.00 71.23 H new ATOM 0 HH12 ARG A 57 22.950 8.513 -15.031 1.00 71.23 H new ATOM 0 HH21 ARG A 57 22.688 6.746 -12.013 1.00 35.24 H new ATOM 0 HH22 ARG A 57 23.523 6.887 -13.563 1.00 35.24 H new ATOM 863 N GLN A 58 15.247 9.149 -11.552 1.00 23.44 N ATOM 864 CA GLN A 58 14.118 8.601 -10.770 1.00 20.11 C ATOM 865 C GLN A 58 13.147 7.894 -11.649 1.00 22.23 C ATOM 866 O GLN A 58 12.855 6.707 -11.492 1.00 62.04 O ATOM 867 CB GLN A 58 13.365 9.710 -10.053 1.00 43.44 C ATOM 868 CG GLN A 58 14.183 10.561 -9.090 1.00 44.13 C ATOM 869 CD GLN A 58 14.742 9.791 -7.897 1.00 2.12 C ATOM 870 OE1 GLN A 58 15.068 8.592 -7.973 1.00 24.54 O ATOM 871 NE2 GLN A 58 14.824 10.454 -6.777 1.00 51.00 N ATOM 0 H GLN A 58 15.462 10.122 -11.333 1.00 23.44 H new ATOM 0 HA GLN A 58 14.546 7.905 -10.049 1.00 20.11 H new ATOM 0 HB2 GLN A 58 12.926 10.367 -10.803 1.00 43.44 H new ATOM 0 HB3 GLN A 58 12.540 9.262 -9.499 1.00 43.44 H new ATOM 0 HG2 GLN A 58 15.010 11.014 -9.636 1.00 44.13 H new ATOM 0 HG3 GLN A 58 13.559 11.376 -8.723 1.00 44.13 H new ATOM 0 HE21 GLN A 58 14.550 11.436 -6.744 1.00 51.00 H new ATOM 0 HE22 GLN A 58 15.162 9.991 -5.934 1.00 51.00 H new ATOM 880 N THR A 59 12.606 8.675 -12.446 1.00 61.00 N ATOM 881 CA THR A 59 11.791 8.401 -13.511 1.00 23.13 C ATOM 882 C THR A 59 12.415 7.313 -14.383 1.00 2.25 C ATOM 883 O THR A 59 12.101 6.118 -14.256 1.00 4.43 O ATOM 884 CB THR A 59 11.842 9.827 -14.164 1.00 4.21 C ATOM 885 OG1 THR A 59 11.236 10.811 -13.325 1.00 31.10 O ATOM 886 CG2 THR A 59 11.431 9.987 -15.571 1.00 51.31 C ATOM 0 H THR A 59 12.748 9.680 -12.350 1.00 61.00 H new ATOM 0 HA THR A 59 10.791 8.018 -13.309 1.00 23.13 H new ATOM 0 HB THR A 59 12.917 9.990 -14.236 1.00 4.21 H new ATOM 0 HG1 THR A 59 11.933 11.364 -12.914 1.00 31.10 H new ATOM 0 HG21 THR A 59 11.527 11.033 -15.861 1.00 51.31 H new ATOM 0 HG22 THR A 59 12.068 9.373 -16.208 1.00 51.31 H new ATOM 0 HG23 THR A 59 10.393 9.673 -15.685 1.00 51.31 H new ATOM 894 N CYS A 60 13.327 7.717 -15.115 1.00 12.44 N ATOM 895 CA CYS A 60 13.805 7.015 -16.268 1.00 42.11 C ATOM 896 C CYS A 60 14.836 7.846 -16.958 1.00 51.10 C ATOM 897 O CYS A 60 14.508 8.917 -17.493 1.00 35.35 O ATOM 898 CB CYS A 60 12.698 6.848 -17.365 1.00 14.22 C ATOM 899 SG CYS A 60 11.083 6.087 -16.984 1.00 33.32 S ATOM 0 H CYS A 60 13.816 8.597 -14.949 1.00 12.44 H new ATOM 0 HA CYS A 60 14.163 6.052 -15.903 1.00 42.11 H new ATOM 0 HB2 CYS A 60 12.494 7.842 -17.762 1.00 14.22 H new ATOM 0 HB3 CYS A 60 13.139 6.266 -18.174 1.00 14.22 H new ATOM 904 N GLN A 61 16.055 7.457 -16.928 1.00 14.51 N ATOM 905 CA GLN A 61 16.883 7.928 -17.951 1.00 2.34 C ATOM 906 C GLN A 61 17.182 6.757 -18.806 1.00 32.42 C ATOM 907 O GLN A 61 16.875 6.699 -19.965 1.00 3.53 O ATOM 908 CB GLN A 61 18.186 8.548 -17.509 1.00 23.45 C ATOM 909 CG GLN A 61 18.093 9.709 -16.579 1.00 24.22 C ATOM 910 CD GLN A 61 19.455 10.437 -16.524 1.00 30.12 C ATOM 911 OE1 GLN A 61 20.324 10.095 -15.759 1.00 24.20 O ATOM 912 NE2 GLN A 61 19.618 11.466 -17.314 1.00 13.13 N ATOM 0 H GLN A 61 16.481 6.841 -16.236 1.00 14.51 H new ATOM 0 HA GLN A 61 16.351 8.735 -18.454 1.00 2.34 H new ATOM 0 HB2 GLN A 61 18.785 7.774 -17.029 1.00 23.45 H new ATOM 0 HB3 GLN A 61 18.730 8.867 -18.398 1.00 23.45 H new ATOM 0 HG2 GLN A 61 17.315 10.395 -16.914 1.00 24.22 H new ATOM 0 HG3 GLN A 61 17.810 9.369 -15.583 1.00 24.22 H new ATOM 0 HE21 GLN A 61 18.873 11.741 -17.954 1.00 13.13 H new ATOM 0 HE22 GLN A 61 20.490 11.994 -17.290 1.00 13.13 H new ATOM 921 N TYR A 62 17.857 5.831 -18.168 1.00 12.21 N ATOM 922 CA TYR A 62 18.347 4.652 -18.779 1.00 21.22 C ATOM 923 C TYR A 62 17.730 3.403 -18.161 1.00 11.12 C ATOM 924 O TYR A 62 18.086 3.008 -17.043 1.00 40.33 O ATOM 925 CB TYR A 62 19.851 4.600 -18.593 1.00 62.30 C ATOM 926 CG TYR A 62 20.585 5.792 -19.135 1.00 54.31 C ATOM 927 CD1 TYR A 62 20.748 5.966 -20.492 1.00 62.41 C ATOM 928 CD2 TYR A 62 21.123 6.743 -18.281 1.00 52.33 C ATOM 929 CE1 TYR A 62 21.426 7.051 -20.989 1.00 72.15 C ATOM 930 CE2 TYR A 62 21.802 7.837 -18.772 1.00 62.23 C ATOM 931 CZ TYR A 62 21.952 7.982 -20.128 1.00 45.35 C ATOM 932 OH TYR A 62 22.626 9.067 -20.627 1.00 74.44 O ATOM 0 H TYR A 62 18.080 5.895 -17.175 1.00 12.21 H new ATOM 0 HA TYR A 62 18.082 4.675 -19.836 1.00 21.22 H new ATOM 0 HB2 TYR A 62 20.070 4.507 -17.529 1.00 62.30 H new ATOM 0 HB3 TYR A 62 20.234 3.702 -19.077 1.00 62.30 H new ATOM 0 HD1 TYR A 62 20.336 5.238 -21.175 1.00 62.41 H new ATOM 0 HD2 TYR A 62 21.008 6.624 -17.214 1.00 52.33 H new ATOM 0 HE1 TYR A 62 21.545 7.172 -22.056 1.00 72.15 H new ATOM 0 HE2 TYR A 62 22.212 8.573 -18.096 1.00 62.23 H new ATOM 0 HH TYR A 62 22.934 9.630 -19.886 1.00 74.44 H new ATOM 942 N PRO A 63 16.807 2.765 -18.853 1.00 30.33 N ATOM 943 CA PRO A 63 16.275 1.493 -18.451 1.00 13.52 C ATOM 944 C PRO A 63 17.133 0.415 -19.100 1.00 32.41 C ATOM 945 O PRO A 63 16.693 -0.328 -19.989 1.00 14.55 O ATOM 946 CB PRO A 63 14.871 1.516 -19.038 1.00 20.12 C ATOM 947 CG PRO A 63 14.977 2.367 -20.259 1.00 51.25 C ATOM 948 CD PRO A 63 16.205 3.226 -20.107 1.00 74.43 C ATOM 0 HA PRO A 63 16.264 1.303 -17.378 1.00 13.52 H new ATOM 0 HB2 PRO A 63 14.530 0.511 -19.286 1.00 20.12 H new ATOM 0 HB3 PRO A 63 14.154 1.930 -18.329 1.00 20.12 H new ATOM 0 HG2 PRO A 63 15.051 1.748 -21.153 1.00 51.25 H new ATOM 0 HG3 PRO A 63 14.087 2.987 -20.373 1.00 51.25 H new ATOM 0 HD2 PRO A 63 16.887 3.099 -20.948 1.00 74.43 H new ATOM 0 HD3 PRO A 63 15.949 4.284 -20.061 1.00 74.43 H new ATOM 956 N VAL A 64 18.345 0.325 -18.633 1.00 1.25 N ATOM 957 CA VAL A 64 19.322 -0.488 -19.291 1.00 52.23 C ATOM 958 C VAL A 64 19.646 -1.738 -18.530 1.00 14.25 C ATOM 959 O VAL A 64 19.688 -1.759 -17.285 1.00 30.42 O ATOM 960 CB VAL A 64 20.630 0.296 -19.628 1.00 20.42 C ATOM 961 CG1 VAL A 64 20.348 1.408 -20.630 1.00 63.30 C ATOM 962 CG2 VAL A 64 21.273 0.870 -18.367 1.00 43.23 C ATOM 0 H VAL A 64 18.679 0.806 -17.798 1.00 1.25 H new ATOM 0 HA VAL A 64 18.858 -0.783 -20.232 1.00 52.23 H new ATOM 0 HB VAL A 64 21.332 -0.408 -20.075 1.00 20.42 H new ATOM 0 HG11 VAL A 64 21.272 1.942 -20.851 1.00 63.30 H new ATOM 0 HG12 VAL A 64 19.949 0.978 -21.548 1.00 63.30 H new ATOM 0 HG13 VAL A 64 19.621 2.102 -20.209 1.00 63.30 H new ATOM 0 HG21 VAL A 64 22.181 1.410 -18.635 1.00 43.23 H new ATOM 0 HG22 VAL A 64 20.575 1.552 -17.881 1.00 43.23 H new ATOM 0 HG23 VAL A 64 21.522 0.058 -17.684 1.00 43.23 H new ATOM 972 N GLY A 65 19.743 -2.784 -19.279 1.00 24.43 N ATOM 973 CA GLY A 65 20.163 -4.035 -18.790 1.00 53.42 C ATOM 974 C GLY A 65 19.804 -5.042 -19.816 1.00 64.32 C ATOM 975 O GLY A 65 19.790 -4.673 -21.013 1.00 13.45 O ATOM 976 OXT GLY A 65 19.474 -6.176 -19.474 1.00 0.00 O ATOM 0 H GLY A 65 19.524 -2.783 -20.275 1.00 24.43 H new ATOM 0 HA2 GLY A 65 21.237 -4.037 -18.607 1.00 53.42 H new ATOM 0 HA3 GLY A 65 19.677 -4.261 -17.841 1.00 53.42 H new TER 980 GLY A 65