USER MOD reduce.3.24.130724 H: found=0, std=0, add=420, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 418 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 SER N :NH3+ -144:sc= 0.183 (180deg=0) USER MOD Single : A 1 SER OG : rot 52:sc= 0.0919 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -50:sc= 0.536 USER MOD Single : A 27 GLN : amide:sc= -0.0859 K(o=-0.086,f=-1.1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -7.25! C(o=-7.3!,f=-15!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 157:sc= -0.138 (180deg=-0.651) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 21:sc= -0.228 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 0.637 0.216 -1.353 1.00 43.51 N ATOM 2 CA SER A 1 1.979 0.310 -1.917 1.00 53.22 C ATOM 3 C SER A 1 2.630 -1.067 -2.002 1.00 12.10 C ATOM 4 O SER A 1 3.197 -1.558 -1.027 1.00 23.31 O ATOM 5 CB SER A 1 2.846 1.246 -1.073 1.00 31.35 C ATOM 6 OG SER A 1 2.588 1.071 0.310 1.00 71.31 O ATOM 0 H1 SER A 1 0.016 0.909 -1.817 1.00 43.51 H new ATOM 0 H2 SER A 1 0.262 -0.742 -1.506 1.00 43.51 H new ATOM 0 H3 SER A 1 0.675 0.414 -0.333 1.00 43.51 H new ATOM 0 HA SER A 1 1.895 0.716 -2.925 1.00 53.22 H new ATOM 0 HB2 SER A 1 3.899 1.054 -1.277 1.00 31.35 H new ATOM 0 HB3 SER A 1 2.650 2.281 -1.355 1.00 31.35 H new ATOM 0 HG SER A 1 2.662 0.121 0.539 1.00 71.31 H new ATOM 12 N ALA A 2 2.543 -1.684 -3.176 1.00 30.23 N ATOM 13 CA ALA A 2 3.125 -3.003 -3.390 1.00 32.41 C ATOM 14 C ALA A 2 4.627 -2.908 -3.632 1.00 63.03 C ATOM 15 O ALA A 2 5.106 -1.969 -4.268 1.00 51.43 O ATOM 16 CB ALA A 2 2.443 -3.698 -4.559 1.00 55.44 C ATOM 0 H ALA A 2 2.075 -1.292 -3.993 1.00 30.23 H new ATOM 0 HA ALA A 2 2.966 -3.593 -2.488 1.00 32.41 H new ATOM 0 HB1 ALA A 2 2.888 -4.682 -4.707 1.00 55.44 H new ATOM 0 HB2 ALA A 2 1.380 -3.809 -4.346 1.00 55.44 H new ATOM 0 HB3 ALA A 2 2.572 -3.102 -5.462 1.00 55.44 H new ATOM 22 N LYS A 3 5.368 -3.886 -3.121 1.00 54.21 N ATOM 23 CA LYS A 3 6.816 -3.913 -3.282 1.00 65.30 C ATOM 24 C LYS A 3 7.224 -4.892 -4.379 1.00 54.31 C ATOM 25 O LYS A 3 6.373 -5.474 -5.052 1.00 15.13 O ATOM 26 CB LYS A 3 7.490 -4.300 -1.963 1.00 75.42 C ATOM 27 CG LYS A 3 7.029 -3.470 -0.778 1.00 55.42 C ATOM 28 CD LYS A 3 7.646 -3.960 0.521 1.00 61.14 C ATOM 29 CE LYS A 3 6.931 -5.195 1.047 1.00 54.14 C ATOM 30 NZ LYS A 3 7.468 -5.628 2.366 1.00 5.20 N ATOM 0 H LYS A 3 4.988 -4.671 -2.591 1.00 54.21 H new ATOM 0 HA LYS A 3 7.142 -2.914 -3.571 1.00 65.30 H new ATOM 0 HB2 LYS A 3 7.291 -5.352 -1.758 1.00 75.42 H new ATOM 0 HB3 LYS A 3 8.569 -4.195 -2.072 1.00 75.42 H new ATOM 0 HG2 LYS A 3 7.297 -2.426 -0.938 1.00 55.42 H new ATOM 0 HG3 LYS A 3 5.942 -3.512 -0.704 1.00 55.42 H new ATOM 0 HD2 LYS A 3 8.700 -4.189 0.361 1.00 61.14 H new ATOM 0 HD3 LYS A 3 7.602 -3.167 1.268 1.00 61.14 H new ATOM 0 HE2 LYS A 3 5.865 -4.985 1.140 1.00 54.14 H new ATOM 0 HE3 LYS A 3 7.034 -6.008 0.328 1.00 54.14 H new ATOM 0 HZ1 LYS A 3 6.954 -6.472 2.690 1.00 5.20 H new ATOM 0 HZ2 LYS A 3 8.479 -5.853 2.272 1.00 5.20 H new ATOM 0 HZ3 LYS A 3 7.346 -4.862 3.059 1.00 5.20 H new ATOM 44 N ASP A 4 8.529 -5.069 -4.553 1.00 54.52 N ATOM 45 CA ASP A 4 9.048 -5.979 -5.567 1.00 43.21 C ATOM 46 C ASP A 4 8.870 -7.431 -5.136 1.00 61.30 C ATOM 47 O ASP A 4 9.260 -7.815 -4.034 1.00 12.41 O ATOM 48 CB ASP A 4 10.527 -5.690 -5.833 1.00 34.35 C ATOM 49 CG ASP A 4 10.731 -4.454 -6.685 1.00 41.34 C ATOM 50 OD1 ASP A 4 10.123 -4.376 -7.773 1.00 60.51 O ATOM 51 OD2 ASP A 4 11.500 -3.563 -6.265 1.00 60.45 O ATOM 0 H ASP A 4 9.247 -4.594 -4.005 1.00 54.52 H new ATOM 0 HA ASP A 4 8.484 -5.820 -6.486 1.00 43.21 H new ATOM 0 HB2 ASP A 4 11.046 -5.562 -4.883 1.00 34.35 H new ATOM 0 HB3 ASP A 4 10.978 -6.549 -6.330 1.00 34.35 H new ATOM 56 N GLY A 5 8.277 -8.235 -6.013 1.00 61.44 N ATOM 57 CA GLY A 5 8.056 -9.636 -5.705 1.00 23.13 C ATOM 58 C GLY A 5 6.644 -9.909 -5.228 1.00 75.00 C ATOM 59 O GLY A 5 6.379 -10.938 -4.605 1.00 41.43 O ATOM 0 H GLY A 5 7.946 -7.941 -6.932 1.00 61.44 H new ATOM 0 HA2 GLY A 5 8.259 -10.236 -6.592 1.00 23.13 H new ATOM 0 HA3 GLY A 5 8.763 -9.952 -4.938 1.00 23.13 H new ATOM 63 N ASP A 6 5.734 -8.986 -5.519 1.00 40.42 N ATOM 64 CA ASP A 6 4.340 -9.131 -5.115 1.00 63.25 C ATOM 65 C ASP A 6 3.464 -9.497 -6.310 1.00 10.44 C ATOM 66 O ASP A 6 3.429 -8.780 -7.310 1.00 12.54 O ATOM 67 CB ASP A 6 3.835 -7.838 -4.473 1.00 64.13 C ATOM 68 CG ASP A 6 4.232 -7.723 -3.015 1.00 4.33 C ATOM 69 OD1 ASP A 6 5.303 -8.250 -2.648 1.00 60.42 O ATOM 70 OD2 ASP A 6 3.472 -7.105 -2.239 1.00 60.55 O ATOM 0 H ASP A 6 5.937 -8.129 -6.033 1.00 40.42 H new ATOM 0 HA ASP A 6 4.281 -9.937 -4.383 1.00 63.25 H new ATOM 0 HB2 ASP A 6 4.231 -6.984 -5.023 1.00 64.13 H new ATOM 0 HB3 ASP A 6 2.749 -7.795 -4.555 1.00 64.13 H new ATOM 75 N VAL A 7 2.758 -10.618 -6.198 1.00 43.43 N ATOM 76 CA VAL A 7 1.882 -11.079 -7.268 1.00 51.44 C ATOM 77 C VAL A 7 0.428 -11.112 -6.812 1.00 13.11 C ATOM 78 O VAL A 7 0.130 -10.890 -5.639 1.00 25.14 O ATOM 79 CB VAL A 7 2.286 -12.481 -7.760 1.00 64.11 C ATOM 80 CG1 VAL A 7 3.734 -12.486 -8.228 1.00 73.30 C ATOM 81 CG2 VAL A 7 2.068 -13.513 -6.664 1.00 22.01 C ATOM 0 H VAL A 7 2.776 -11.223 -5.377 1.00 43.43 H new ATOM 0 HA VAL A 7 1.986 -10.370 -8.089 1.00 51.44 H new ATOM 0 HB VAL A 7 1.654 -12.746 -8.608 1.00 64.11 H new ATOM 0 HG11 VAL A 7 4.002 -13.485 -8.572 1.00 73.30 H new ATOM 0 HG12 VAL A 7 3.854 -11.776 -9.046 1.00 73.30 H new ATOM 0 HG13 VAL A 7 4.385 -12.201 -7.401 1.00 73.30 H new ATOM 0 HG21 VAL A 7 2.359 -14.498 -7.029 1.00 22.01 H new ATOM 0 HG22 VAL A 7 2.674 -13.255 -5.795 1.00 22.01 H new ATOM 0 HG23 VAL A 7 1.015 -13.527 -6.381 1.00 22.01 H new ATOM 91 N GLU A 8 -0.474 -11.391 -7.748 1.00 34.24 N ATOM 92 CA GLU A 8 -1.899 -11.453 -7.440 1.00 65.14 C ATOM 93 C GLU A 8 -2.457 -12.844 -7.727 1.00 40.02 C ATOM 94 O GLU A 8 -2.158 -13.445 -8.758 1.00 43.54 O ATOM 95 CB GLU A 8 -2.664 -10.407 -8.253 1.00 11.42 C ATOM 96 CG GLU A 8 -2.728 -9.044 -7.584 1.00 3.12 C ATOM 97 CD GLU A 8 -3.946 -8.244 -8.003 1.00 61.25 C ATOM 98 OE1 GLU A 8 -4.697 -8.722 -8.879 1.00 41.22 O ATOM 99 OE2 GLU A 8 -4.148 -7.140 -7.455 1.00 62.42 O ATOM 0 H GLU A 8 -0.244 -11.577 -8.724 1.00 34.24 H new ATOM 0 HA GLU A 8 -2.025 -11.242 -6.378 1.00 65.14 H new ATOM 0 HB2 GLU A 8 -2.191 -10.301 -9.230 1.00 11.42 H new ATOM 0 HB3 GLU A 8 -3.679 -10.765 -8.427 1.00 11.42 H new ATOM 0 HG2 GLU A 8 -2.739 -9.175 -6.502 1.00 3.12 H new ATOM 0 HG3 GLU A 8 -1.827 -8.481 -7.828 1.00 3.12 H new ATOM 106 N GLY A 9 -3.271 -13.350 -6.806 1.00 22.44 N ATOM 107 CA GLY A 9 -3.858 -14.666 -6.977 1.00 21.42 C ATOM 108 C GLY A 9 -3.764 -15.511 -5.722 1.00 12.15 C ATOM 109 O GLY A 9 -3.483 -15.012 -4.632 1.00 31.04 O ATOM 0 H GLY A 9 -3.534 -12.872 -5.944 1.00 22.44 H new ATOM 0 HA2 GLY A 9 -4.905 -14.559 -7.262 1.00 21.42 H new ATOM 0 HA3 GLY A 9 -3.356 -15.181 -7.796 1.00 21.42 H new ATOM 113 N PRO A 10 -4.005 -16.822 -5.867 1.00 32.35 N ATOM 114 CA PRO A 10 -3.954 -17.765 -4.745 1.00 64.44 C ATOM 115 C PRO A 10 -2.533 -17.983 -4.236 1.00 1.01 C ATOM 116 O PRO A 10 -1.582 -18.017 -5.016 1.00 50.12 O ATOM 117 CB PRO A 10 -4.511 -19.059 -5.344 1.00 61.22 C ATOM 118 CG PRO A 10 -4.239 -18.948 -6.805 1.00 30.52 C ATOM 119 CD PRO A 10 -4.346 -17.486 -7.136 1.00 51.32 C ATOM 0 HA PRO A 10 -4.513 -17.403 -3.882 1.00 64.44 H new ATOM 0 HB2 PRO A 10 -4.024 -19.935 -4.916 1.00 61.22 H new ATOM 0 HB3 PRO A 10 -5.578 -19.159 -5.146 1.00 61.22 H new ATOM 0 HG2 PRO A 10 -3.248 -19.332 -7.048 1.00 30.52 H new ATOM 0 HG3 PRO A 10 -4.957 -19.532 -7.381 1.00 30.52 H new ATOM 0 HD2 PRO A 10 -3.660 -17.204 -7.934 1.00 51.32 H new ATOM 0 HD3 PRO A 10 -5.349 -17.222 -7.470 1.00 51.32 H new ATOM 127 N ALA A 11 -2.396 -18.130 -2.922 1.00 75.41 N ATOM 128 CA ALA A 11 -1.092 -18.347 -2.309 1.00 61.32 C ATOM 129 C ALA A 11 -0.482 -19.667 -2.769 1.00 31.33 C ATOM 130 O ALA A 11 -1.083 -20.729 -2.609 1.00 52.25 O ATOM 131 CB ALA A 11 -1.210 -18.318 -0.793 1.00 0.25 C ATOM 0 H ALA A 11 -3.173 -18.103 -2.262 1.00 75.41 H new ATOM 0 HA ALA A 11 -0.430 -17.541 -2.626 1.00 61.32 H new ATOM 0 HB1 ALA A 11 -0.228 -18.481 -0.348 1.00 0.25 H new ATOM 0 HB2 ALA A 11 -1.595 -17.349 -0.476 1.00 0.25 H new ATOM 0 HB3 ALA A 11 -1.892 -19.103 -0.466 1.00 0.25 H new ATOM 137 N GLY A 12 0.716 -19.593 -3.341 1.00 30.23 N ATOM 138 CA GLY A 12 1.387 -20.789 -3.815 1.00 74.53 C ATOM 139 C GLY A 12 1.366 -20.905 -5.327 1.00 5.54 C ATOM 140 O GLY A 12 1.667 -21.963 -5.880 1.00 53.33 O ATOM 0 H GLY A 12 1.234 -18.726 -3.484 1.00 30.23 H new ATOM 0 HA2 GLY A 12 2.420 -20.784 -3.468 1.00 74.53 H new ATOM 0 HA3 GLY A 12 0.909 -21.667 -3.380 1.00 74.53 H new ATOM 144 N CYS A 13 1.010 -19.814 -5.997 1.00 2.22 N ATOM 145 CA CYS A 13 0.949 -19.796 -7.453 1.00 64.42 C ATOM 146 C CYS A 13 2.349 -19.712 -8.055 1.00 61.32 C ATOM 147 O CYS A 13 3.350 -19.829 -7.347 1.00 52.53 O ATOM 148 CB CYS A 13 0.103 -18.616 -7.935 1.00 64.21 C ATOM 149 SG CYS A 13 0.901 -16.993 -7.721 1.00 3.34 S ATOM 0 H CYS A 13 0.759 -18.930 -5.554 1.00 2.22 H new ATOM 0 HA CYS A 13 0.485 -20.725 -7.784 1.00 64.42 H new ATOM 0 HB2 CYS A 13 -0.131 -18.758 -8.990 1.00 64.21 H new ATOM 0 HB3 CYS A 13 -0.844 -18.617 -7.395 1.00 64.21 H new ATOM 154 N LYS A 14 2.412 -19.509 -9.367 1.00 32.22 N ATOM 155 CA LYS A 14 3.687 -19.408 -10.066 1.00 4.53 C ATOM 156 C LYS A 14 4.094 -17.948 -10.247 1.00 33.51 C ATOM 157 O LYS A 14 3.430 -17.192 -10.956 1.00 44.15 O ATOM 158 CB LYS A 14 3.602 -20.097 -11.429 1.00 73.31 C ATOM 159 CG LYS A 14 3.331 -21.589 -11.340 1.00 74.10 C ATOM 160 CD LYS A 14 4.388 -22.300 -10.512 1.00 42.41 C ATOM 161 CE LYS A 14 4.294 -23.810 -10.664 1.00 54.05 C ATOM 162 NZ LYS A 14 3.286 -24.399 -9.740 1.00 12.22 N ATOM 0 H LYS A 14 1.594 -19.411 -9.968 1.00 32.22 H new ATOM 0 HA LYS A 14 4.444 -19.906 -9.461 1.00 4.53 H new ATOM 0 HB2 LYS A 14 2.813 -19.627 -12.016 1.00 73.31 H new ATOM 0 HB3 LYS A 14 4.537 -19.937 -11.966 1.00 73.31 H new ATOM 0 HG2 LYS A 14 2.349 -21.755 -10.898 1.00 74.10 H new ATOM 0 HG3 LYS A 14 3.306 -22.015 -12.343 1.00 74.10 H new ATOM 0 HD2 LYS A 14 5.378 -21.964 -10.818 1.00 42.41 H new ATOM 0 HD3 LYS A 14 4.271 -22.031 -9.462 1.00 42.41 H new ATOM 0 HE2 LYS A 14 4.031 -24.056 -11.693 1.00 54.05 H new ATOM 0 HE3 LYS A 14 5.269 -24.256 -10.469 1.00 54.05 H new ATOM 0 HZ1 LYS A 14 3.252 -25.430 -9.875 1.00 12.22 H new ATOM 0 HZ2 LYS A 14 3.550 -24.187 -8.757 1.00 12.22 H new ATOM 0 HZ3 LYS A 14 2.350 -23.993 -9.942 1.00 12.22 H new ATOM 176 N LYS A 15 5.188 -17.559 -9.602 1.00 64.52 N ATOM 177 CA LYS A 15 5.686 -16.192 -9.694 1.00 52.10 C ATOM 178 C LYS A 15 6.548 -16.009 -10.939 1.00 22.02 C ATOM 179 O LYS A 15 6.808 -16.964 -11.671 1.00 43.13 O ATOM 180 CB LYS A 15 6.494 -15.836 -8.444 1.00 72.30 C ATOM 181 CG LYS A 15 5.649 -15.276 -7.313 1.00 2.02 C ATOM 182 CD LYS A 15 6.305 -15.505 -5.961 1.00 53.22 C ATOM 183 CE LYS A 15 5.311 -15.329 -4.823 1.00 4.30 C ATOM 184 NZ LYS A 15 5.804 -15.940 -3.558 1.00 32.15 N ATOM 0 H LYS A 15 5.747 -18.172 -9.009 1.00 64.52 H new ATOM 0 HA LYS A 15 4.828 -15.524 -9.767 1.00 52.10 H new ATOM 0 HB2 LYS A 15 7.014 -16.727 -8.091 1.00 72.30 H new ATOM 0 HB3 LYS A 15 7.258 -15.106 -8.711 1.00 72.30 H new ATOM 0 HG2 LYS A 15 5.494 -14.208 -7.467 1.00 2.02 H new ATOM 0 HG3 LYS A 15 4.665 -15.746 -7.325 1.00 2.02 H new ATOM 0 HD2 LYS A 15 6.727 -16.510 -5.925 1.00 53.22 H new ATOM 0 HD3 LYS A 15 7.133 -14.807 -5.834 1.00 53.22 H new ATOM 0 HE2 LYS A 15 5.124 -14.267 -4.665 1.00 4.30 H new ATOM 0 HE3 LYS A 15 4.359 -15.783 -5.099 1.00 4.30 H new ATOM 0 HZ1 LYS A 15 5.099 -15.799 -2.807 1.00 32.15 H new ATOM 0 HZ2 LYS A 15 5.958 -16.958 -3.701 1.00 32.15 H new ATOM 0 HZ3 LYS A 15 6.700 -15.490 -3.281 1.00 32.15 H new ATOM 198 N TYR A 16 6.990 -14.778 -11.171 1.00 73.02 N ATOM 199 CA TYR A 16 7.822 -14.470 -12.328 1.00 23.30 C ATOM 200 C TYR A 16 9.122 -15.268 -12.291 1.00 43.01 C ATOM 201 O TYR A 16 9.651 -15.566 -11.220 1.00 0.52 O ATOM 202 CB TYR A 16 8.131 -12.973 -12.377 1.00 11.02 C ATOM 203 CG TYR A 16 9.068 -12.584 -13.498 1.00 72.00 C ATOM 204 CD1 TYR A 16 8.597 -12.411 -14.794 1.00 64.41 C ATOM 205 CD2 TYR A 16 10.423 -12.390 -13.262 1.00 21.12 C ATOM 206 CE1 TYR A 16 9.450 -12.057 -15.822 1.00 13.20 C ATOM 207 CE2 TYR A 16 11.282 -12.034 -14.283 1.00 43.02 C ATOM 208 CZ TYR A 16 10.791 -11.869 -15.561 1.00 40.34 C ATOM 209 OH TYR A 16 11.644 -11.515 -16.582 1.00 30.42 O ATOM 0 H TYR A 16 6.786 -13.977 -10.573 1.00 73.02 H new ATOM 0 HA TYR A 16 7.270 -14.749 -13.225 1.00 23.30 H new ATOM 0 HB2 TYR A 16 7.197 -12.421 -12.487 1.00 11.02 H new ATOM 0 HB3 TYR A 16 8.570 -12.670 -11.426 1.00 11.02 H new ATOM 0 HD1 TYR A 16 7.547 -12.556 -15.001 1.00 64.41 H new ATOM 0 HD2 TYR A 16 10.811 -12.520 -12.263 1.00 21.12 H new ATOM 0 HE1 TYR A 16 9.069 -11.928 -16.824 1.00 13.20 H new ATOM 0 HE2 TYR A 16 12.333 -11.886 -14.082 1.00 43.02 H new ATOM 0 HH TYR A 16 12.554 -11.421 -16.230 1.00 30.42 H new ATOM 219 N ASP A 17 9.632 -15.610 -13.469 1.00 61.31 N ATOM 220 CA ASP A 17 10.871 -16.372 -13.574 1.00 22.03 C ATOM 221 C ASP A 17 10.714 -17.754 -12.947 1.00 3.24 C ATOM 222 O ASP A 17 11.626 -18.256 -12.289 1.00 61.04 O ATOM 223 CB ASP A 17 12.017 -15.618 -12.897 1.00 30.21 C ATOM 224 CG ASP A 17 13.298 -15.663 -13.707 1.00 31.44 C ATOM 225 OD1 ASP A 17 13.978 -16.710 -13.682 1.00 3.11 O ATOM 226 OD2 ASP A 17 13.620 -14.652 -14.364 1.00 43.35 O ATOM 0 H ASP A 17 9.207 -15.372 -14.365 1.00 61.31 H new ATOM 0 HA ASP A 17 11.103 -16.497 -14.632 1.00 22.03 H new ATOM 0 HB2 ASP A 17 11.724 -14.579 -12.743 1.00 30.21 H new ATOM 0 HB3 ASP A 17 12.198 -16.047 -11.912 1.00 30.21 H new ATOM 231 N VAL A 18 9.551 -18.363 -13.153 1.00 62.33 N ATOM 232 CA VAL A 18 9.274 -19.687 -12.608 1.00 63.14 C ATOM 233 C VAL A 18 8.393 -20.497 -13.553 1.00 12.34 C ATOM 234 O VAL A 18 7.446 -19.971 -14.136 1.00 52.04 O ATOM 235 CB VAL A 18 8.586 -19.595 -11.233 1.00 62.34 C ATOM 236 CG1 VAL A 18 8.307 -20.985 -10.682 1.00 61.21 C ATOM 237 CG2 VAL A 18 9.438 -18.790 -10.264 1.00 42.44 C ATOM 0 H VAL A 18 8.785 -17.961 -13.693 1.00 62.33 H new ATOM 0 HA VAL A 18 10.234 -20.189 -12.492 1.00 63.14 H new ATOM 0 HB VAL A 18 7.633 -19.081 -11.357 1.00 62.34 H new ATOM 0 HG11 VAL A 18 7.821 -20.900 -9.710 1.00 61.21 H new ATOM 0 HG12 VAL A 18 7.654 -21.524 -11.369 1.00 61.21 H new ATOM 0 HG13 VAL A 18 9.246 -21.528 -10.572 1.00 61.21 H new ATOM 0 HG21 VAL A 18 8.937 -18.735 -9.298 1.00 42.44 H new ATOM 0 HG22 VAL A 18 10.407 -19.274 -10.143 1.00 42.44 H new ATOM 0 HG23 VAL A 18 9.582 -17.783 -10.656 1.00 42.44 H new ATOM 247 N GLU A 19 8.711 -21.779 -13.697 1.00 23.30 N ATOM 248 CA GLU A 19 7.948 -22.662 -14.571 1.00 54.43 C ATOM 249 C GLU A 19 6.504 -22.784 -14.093 1.00 75.35 C ATOM 250 O GLU A 19 6.198 -22.521 -12.930 1.00 21.41 O ATOM 251 CB GLU A 19 8.597 -24.046 -14.629 1.00 13.02 C ATOM 252 CG GLU A 19 8.520 -24.698 -15.999 1.00 41.32 C ATOM 253 CD GLU A 19 8.306 -26.197 -15.921 1.00 45.11 C ATOM 254 OE1 GLU A 19 7.137 -26.627 -15.849 1.00 34.22 O ATOM 255 OE2 GLU A 19 9.310 -26.940 -15.933 1.00 3.04 O ATOM 0 H GLU A 19 9.492 -22.230 -13.220 1.00 23.30 H new ATOM 0 HA GLU A 19 7.947 -22.229 -15.571 1.00 54.43 H new ATOM 0 HB2 GLU A 19 9.643 -23.960 -14.335 1.00 13.02 H new ATOM 0 HB3 GLU A 19 8.114 -24.695 -13.899 1.00 13.02 H new ATOM 0 HG2 GLU A 19 7.705 -24.248 -16.566 1.00 41.32 H new ATOM 0 HG3 GLU A 19 9.440 -24.494 -16.546 1.00 41.32 H new ATOM 262 N CYS A 20 5.619 -23.185 -15.000 1.00 74.01 N ATOM 263 CA CYS A 20 4.206 -23.342 -14.674 1.00 24.11 C ATOM 264 C CYS A 20 3.586 -24.480 -15.479 1.00 35.34 C ATOM 265 O CYS A 20 4.194 -24.994 -16.418 1.00 33.35 O ATOM 266 CB CYS A 20 3.451 -22.040 -14.945 1.00 52.32 C ATOM 267 SG CYS A 20 3.333 -21.602 -16.710 1.00 5.14 S ATOM 0 H CYS A 20 5.856 -23.407 -15.967 1.00 74.01 H new ATOM 0 HA CYS A 20 4.128 -23.585 -13.614 1.00 24.11 H new ATOM 0 HB2 CYS A 20 2.445 -22.124 -14.534 1.00 52.32 H new ATOM 0 HB3 CYS A 20 3.946 -21.228 -14.412 1.00 52.32 H new ATOM 272 N ASP A 21 2.371 -24.868 -15.104 1.00 64.22 N ATOM 273 CA ASP A 21 1.667 -25.944 -15.791 1.00 72.33 C ATOM 274 C ASP A 21 0.693 -25.384 -16.823 1.00 34.10 C ATOM 275 O ASP A 21 0.078 -24.340 -16.608 1.00 11.42 O ATOM 276 CB ASP A 21 0.916 -26.816 -14.784 1.00 22.25 C ATOM 277 CG ASP A 21 1.852 -27.631 -13.912 1.00 42.34 C ATOM 278 OD1 ASP A 21 2.778 -27.038 -13.321 1.00 42.41 O ATOM 279 OD2 ASP A 21 1.659 -28.862 -13.823 1.00 1.55 O ATOM 0 H ASP A 21 1.854 -24.453 -14.329 1.00 64.22 H new ATOM 0 HA ASP A 21 2.406 -26.555 -16.309 1.00 72.33 H new ATOM 0 HB2 ASP A 21 0.294 -26.182 -14.151 1.00 22.25 H new ATOM 0 HB3 ASP A 21 0.245 -27.488 -15.319 1.00 22.25 H new ATOM 284 N SER A 22 0.558 -26.085 -17.944 1.00 60.32 N ATOM 285 CA SER A 22 -0.338 -25.655 -19.012 1.00 23.54 C ATOM 286 C SER A 22 0.003 -24.241 -19.470 1.00 65.05 C ATOM 287 O SER A 22 -0.849 -23.522 -19.989 1.00 15.34 O ATOM 288 CB SER A 22 -1.792 -25.714 -18.540 1.00 70.14 C ATOM 289 OG SER A 22 -2.687 -25.529 -19.623 1.00 61.35 O ATOM 0 H SER A 22 1.057 -26.953 -18.137 1.00 60.32 H new ATOM 0 HA SER A 22 -0.210 -26.332 -19.856 1.00 23.54 H new ATOM 0 HB2 SER A 22 -1.985 -26.676 -18.065 1.00 70.14 H new ATOM 0 HB3 SER A 22 -1.965 -24.946 -17.786 1.00 70.14 H new ATOM 0 HG SER A 22 -2.422 -24.736 -20.134 1.00 61.35 H new ATOM 295 N GLY A 23 1.259 -23.849 -19.276 1.00 10.25 N ATOM 296 CA GLY A 23 1.692 -22.522 -19.674 1.00 62.41 C ATOM 297 C GLY A 23 0.851 -21.426 -19.052 1.00 34.14 C ATOM 298 O GLY A 23 0.777 -20.317 -19.579 1.00 51.11 O ATOM 0 H GLY A 23 1.984 -24.427 -18.850 1.00 10.25 H new ATOM 0 HA2 GLY A 23 2.734 -22.382 -19.388 1.00 62.41 H new ATOM 0 HA3 GLY A 23 1.646 -22.439 -20.760 1.00 62.41 H new ATOM 302 N GLU A 24 0.213 -21.738 -17.927 1.00 42.34 N ATOM 303 CA GLU A 24 -0.630 -20.770 -17.235 1.00 24.14 C ATOM 304 C GLU A 24 0.136 -20.095 -16.101 1.00 5.14 C ATOM 305 O GLU A 24 0.728 -20.763 -15.252 1.00 44.40 O ATOM 306 CB GLU A 24 -1.882 -21.454 -16.682 1.00 62.23 C ATOM 307 CG GLU A 24 -2.913 -21.787 -17.747 1.00 72.42 C ATOM 308 CD GLU A 24 -4.197 -22.342 -17.162 1.00 73.52 C ATOM 309 OE1 GLU A 24 -4.255 -22.526 -15.928 1.00 74.53 O ATOM 310 OE2 GLU A 24 -5.143 -22.593 -17.938 1.00 35.05 O ATOM 0 H GLU A 24 0.264 -22.652 -17.477 1.00 42.34 H new ATOM 0 HA GLU A 24 -0.929 -20.007 -17.954 1.00 24.14 H new ATOM 0 HB2 GLU A 24 -1.589 -22.372 -16.172 1.00 62.23 H new ATOM 0 HB3 GLU A 24 -2.340 -20.806 -15.935 1.00 62.23 H new ATOM 0 HG2 GLU A 24 -3.139 -20.889 -18.322 1.00 72.42 H new ATOM 0 HG3 GLU A 24 -2.491 -22.513 -18.442 1.00 72.42 H new ATOM 317 N CYS A 25 0.121 -18.766 -16.093 1.00 62.22 N ATOM 318 CA CYS A 25 0.814 -17.999 -15.066 1.00 3.43 C ATOM 319 C CYS A 25 -0.178 -17.394 -14.076 1.00 23.50 C ATOM 320 O CYS A 25 -1.387 -17.407 -14.307 1.00 13.44 O ATOM 321 CB CYS A 25 1.652 -16.890 -15.706 1.00 22.02 C ATOM 322 SG CYS A 25 3.048 -17.497 -16.706 1.00 43.24 S ATOM 0 H CYS A 25 -0.364 -18.198 -16.787 1.00 62.22 H new ATOM 0 HA CYS A 25 1.473 -18.677 -14.525 1.00 3.43 H new ATOM 0 HB2 CYS A 25 1.006 -16.279 -16.336 1.00 22.02 H new ATOM 0 HB3 CYS A 25 2.037 -16.241 -14.920 1.00 22.02 H new ATOM 327 N CYS A 26 0.343 -16.866 -12.973 1.00 74.23 N ATOM 328 CA CYS A 26 -0.495 -16.257 -11.948 1.00 34.14 C ATOM 329 C CYS A 26 -1.408 -15.193 -12.552 1.00 24.25 C ATOM 330 O CYS A 26 -1.253 -14.816 -13.713 1.00 21.23 O ATOM 331 CB CYS A 26 0.373 -15.637 -10.851 1.00 64.15 C ATOM 332 SG CYS A 26 -0.229 -15.948 -9.161 1.00 0.45 S ATOM 0 H CYS A 26 1.342 -16.848 -12.767 1.00 74.23 H new ATOM 0 HA CYS A 26 -1.117 -17.039 -11.512 1.00 34.14 H new ATOM 0 HB2 CYS A 26 1.387 -16.027 -10.941 1.00 64.15 H new ATOM 0 HB3 CYS A 26 0.430 -14.561 -11.013 1.00 64.15 H new ATOM 337 N GLN A 27 -2.357 -14.714 -11.755 1.00 34.45 N ATOM 338 CA GLN A 27 -3.294 -13.695 -12.211 1.00 13.53 C ATOM 339 C GLN A 27 -2.553 -12.470 -12.737 1.00 64.32 C ATOM 340 O GLN A 27 -2.660 -12.124 -13.914 1.00 30.32 O ATOM 341 CB GLN A 27 -4.232 -13.287 -11.073 1.00 24.35 C ATOM 342 CG GLN A 27 -4.878 -14.467 -10.365 1.00 24.34 C ATOM 343 CD GLN A 27 -5.409 -15.508 -11.331 1.00 3.14 C ATOM 344 OE1 GLN A 27 -4.688 -16.419 -11.738 1.00 24.23 O ATOM 345 NE2 GLN A 27 -6.677 -15.378 -11.703 1.00 44.32 N ATOM 0 H GLN A 27 -2.497 -15.015 -10.791 1.00 34.45 H new ATOM 0 HA GLN A 27 -3.883 -14.119 -13.024 1.00 13.53 H new ATOM 0 HB2 GLN A 27 -3.673 -12.699 -10.345 1.00 24.35 H new ATOM 0 HB3 GLN A 27 -5.014 -12.641 -11.472 1.00 24.35 H new ATOM 0 HG2 GLN A 27 -4.149 -14.931 -9.701 1.00 24.34 H new ATOM 0 HG3 GLN A 27 -5.695 -14.107 -9.739 1.00 24.34 H new ATOM 0 HE21 GLN A 27 -7.238 -14.607 -11.341 1.00 44.32 H new ATOM 0 HE22 GLN A 27 -7.090 -16.049 -12.351 1.00 44.32 H new ATOM 354 N LYS A 28 -1.800 -11.817 -11.858 1.00 61.51 N ATOM 355 CA LYS A 28 -1.039 -10.632 -12.233 1.00 43.22 C ATOM 356 C LYS A 28 0.207 -10.488 -11.365 1.00 42.12 C ATOM 357 O LYS A 28 0.362 -11.190 -10.366 1.00 43.23 O ATOM 358 CB LYS A 28 -1.910 -9.380 -12.105 1.00 44.14 C ATOM 359 CG LYS A 28 -2.911 -9.217 -13.236 1.00 21.40 C ATOM 360 CD LYS A 28 -3.769 -7.978 -13.047 1.00 34.23 C ATOM 361 CE LYS A 28 -5.042 -8.294 -12.276 1.00 31.20 C ATOM 362 NZ LYS A 28 -6.123 -7.312 -12.564 1.00 55.22 N ATOM 0 H LYS A 28 -1.701 -12.089 -10.880 1.00 61.51 H new ATOM 0 HA LYS A 28 -0.726 -10.745 -13.271 1.00 43.22 H new ATOM 0 HB2 LYS A 28 -2.448 -9.417 -11.158 1.00 44.14 H new ATOM 0 HB3 LYS A 28 -1.266 -8.501 -12.072 1.00 44.14 H new ATOM 0 HG2 LYS A 28 -2.381 -9.152 -14.186 1.00 21.40 H new ATOM 0 HG3 LYS A 28 -3.550 -10.099 -13.288 1.00 21.40 H new ATOM 0 HD2 LYS A 28 -3.199 -7.217 -12.514 1.00 34.23 H new ATOM 0 HD3 LYS A 28 -4.026 -7.560 -14.020 1.00 34.23 H new ATOM 0 HE2 LYS A 28 -5.384 -9.296 -12.534 1.00 31.20 H new ATOM 0 HE3 LYS A 28 -4.828 -8.296 -11.207 1.00 31.20 H new ATOM 0 HZ1 LYS A 28 -6.973 -7.562 -12.020 1.00 55.22 H new ATOM 0 HZ2 LYS A 28 -5.807 -6.359 -12.294 1.00 55.22 H new ATOM 0 HZ3 LYS A 28 -6.345 -7.328 -13.580 1.00 55.22 H new ATOM 376 N GLN A 29 1.091 -9.574 -11.753 1.00 15.54 N ATOM 377 CA GLN A 29 2.322 -9.338 -11.008 1.00 61.23 C ATOM 378 C GLN A 29 2.730 -7.870 -11.081 1.00 30.41 C ATOM 379 O GLN A 29 2.592 -7.228 -12.122 1.00 73.13 O ATOM 380 CB GLN A 29 3.448 -10.220 -11.551 1.00 73.15 C ATOM 381 CG GLN A 29 4.744 -10.104 -10.767 1.00 4.52 C ATOM 382 CD GLN A 29 5.551 -11.387 -10.779 1.00 43.10 C ATOM 383 OE1 GLN A 29 5.142 -12.386 -11.371 1.00 54.20 O ATOM 384 NE2 GLN A 29 6.706 -11.367 -10.124 1.00 1.33 N ATOM 0 H GLN A 29 0.978 -8.985 -12.578 1.00 15.54 H new ATOM 0 HA GLN A 29 2.140 -9.594 -9.964 1.00 61.23 H new ATOM 0 HB2 GLN A 29 3.120 -11.259 -11.543 1.00 73.15 H new ATOM 0 HB3 GLN A 29 3.637 -9.954 -12.591 1.00 73.15 H new ATOM 0 HG2 GLN A 29 5.346 -9.297 -11.185 1.00 4.52 H new ATOM 0 HG3 GLN A 29 4.517 -9.832 -9.736 1.00 4.52 H new ATOM 0 HE21 GLN A 29 7.007 -10.517 -9.647 1.00 1.33 H new ATOM 0 HE22 GLN A 29 7.292 -12.201 -10.098 1.00 1.33 H new ATOM 393 N TYR A 30 3.233 -7.346 -9.969 1.00 55.40 N ATOM 394 CA TYR A 30 3.658 -5.952 -9.906 1.00 21.52 C ATOM 395 C TYR A 30 5.042 -5.777 -10.524 1.00 53.11 C ATOM 396 O TYR A 30 6.061 -5.936 -9.851 1.00 13.34 O ATOM 397 CB TYR A 30 3.670 -5.466 -8.456 1.00 31.24 C ATOM 398 CG TYR A 30 3.615 -3.961 -8.321 1.00 61.21 C ATOM 399 CD1 TYR A 30 2.662 -3.217 -9.006 1.00 20.30 C ATOM 400 CD2 TYR A 30 4.517 -3.283 -7.510 1.00 53.04 C ATOM 401 CE1 TYR A 30 2.609 -1.842 -8.887 1.00 15.11 C ATOM 402 CE2 TYR A 30 4.470 -1.908 -7.384 1.00 73.21 C ATOM 403 CZ TYR A 30 3.514 -1.192 -8.074 1.00 61.14 C ATOM 404 OH TYR A 30 3.465 0.178 -7.952 1.00 71.43 O ATOM 0 H TYR A 30 3.357 -7.865 -9.099 1.00 55.40 H new ATOM 0 HA TYR A 30 2.946 -5.355 -10.476 1.00 21.52 H new ATOM 0 HB2 TYR A 30 2.821 -5.901 -7.929 1.00 31.24 H new ATOM 0 HB3 TYR A 30 4.572 -5.834 -7.966 1.00 31.24 H new ATOM 0 HD1 TYR A 30 1.951 -3.723 -9.642 1.00 20.30 H new ATOM 0 HD2 TYR A 30 5.267 -3.840 -6.969 1.00 53.04 H new ATOM 0 HE1 TYR A 30 1.863 -1.279 -9.428 1.00 15.11 H new ATOM 0 HE2 TYR A 30 5.178 -1.397 -6.749 1.00 73.21 H new ATOM 0 HH TYR A 30 4.171 0.477 -7.341 1.00 71.43 H new ATOM 414 N LEU A 31 5.070 -5.447 -11.811 1.00 32.53 N ATOM 415 CA LEU A 31 6.328 -5.249 -12.522 1.00 53.33 C ATOM 416 C LEU A 31 6.440 -3.819 -13.041 1.00 54.24 C ATOM 417 O LEU A 31 5.498 -3.285 -13.627 1.00 75.33 O ATOM 418 CB LEU A 31 6.440 -6.236 -13.685 1.00 40.14 C ATOM 419 CG LEU A 31 6.619 -7.706 -13.303 1.00 44.44 C ATOM 420 CD1 LEU A 31 5.953 -8.609 -14.329 1.00 53.13 C ATOM 421 CD2 LEU A 31 8.097 -8.046 -13.171 1.00 14.44 C ATOM 0 H LEU A 31 4.236 -5.311 -12.383 1.00 32.53 H new ATOM 0 HA LEU A 31 7.145 -5.427 -11.822 1.00 53.33 H new ATOM 0 HB2 LEU A 31 5.543 -6.147 -14.298 1.00 40.14 H new ATOM 0 HB3 LEU A 31 7.283 -5.938 -14.308 1.00 40.14 H new ATOM 0 HG LEU A 31 6.140 -7.872 -12.338 1.00 44.44 H new ATOM 0 HD11 LEU A 31 6.091 -9.651 -14.041 1.00 53.13 H new ATOM 0 HD12 LEU A 31 4.888 -8.383 -14.375 1.00 53.13 H new ATOM 0 HD13 LEU A 31 6.402 -8.441 -15.308 1.00 53.13 H new ATOM 0 HD21 LEU A 31 8.206 -9.096 -12.899 1.00 14.44 H new ATOM 0 HD22 LEU A 31 8.599 -7.864 -14.121 1.00 14.44 H new ATOM 0 HD23 LEU A 31 8.546 -7.422 -12.398 1.00 14.44 H new ATOM 433 N TRP A 32 7.597 -3.205 -12.824 1.00 62.33 N ATOM 434 CA TRP A 32 7.833 -1.837 -13.272 1.00 60.55 C ATOM 435 C TRP A 32 6.808 -0.883 -12.670 1.00 40.11 C ATOM 436 O TRP A 32 6.244 -0.041 -13.369 1.00 75.34 O ATOM 437 CB TRP A 32 7.782 -1.763 -14.799 1.00 74.34 C ATOM 438 CG TRP A 32 8.968 -2.392 -15.465 1.00 21.41 C ATOM 439 CD1 TRP A 32 9.408 -3.676 -15.313 1.00 22.25 C ATOM 440 CD2 TRP A 32 9.867 -1.765 -16.386 1.00 12.31 C ATOM 441 NE1 TRP A 32 10.526 -3.884 -16.083 1.00 64.54 N ATOM 442 CE2 TRP A 32 10.828 -2.728 -16.752 1.00 54.41 C ATOM 443 CE3 TRP A 32 9.952 -0.484 -16.938 1.00 63.14 C ATOM 444 CZ2 TRP A 32 11.859 -2.447 -17.644 1.00 24.31 C ATOM 445 CZ3 TRP A 32 10.977 -0.207 -17.823 1.00 62.41 C ATOM 446 CH2 TRP A 32 11.919 -1.185 -18.169 1.00 61.25 C ATOM 0 H TRP A 32 8.387 -3.632 -12.340 1.00 62.33 H new ATOM 0 HA TRP A 32 8.824 -1.536 -12.934 1.00 60.55 H new ATOM 0 HB2 TRP A 32 6.875 -2.255 -15.149 1.00 74.34 H new ATOM 0 HB3 TRP A 32 7.716 -0.718 -15.103 1.00 74.34 H new ATOM 0 HD1 TRP A 32 8.945 -4.419 -14.680 1.00 22.25 H new ATOM 0 HE1 TRP A 32 11.047 -4.758 -16.146 1.00 64.54 H new ATOM 0 HE3 TRP A 32 9.230 0.276 -16.678 1.00 63.14 H new ATOM 0 HZ2 TRP A 32 12.586 -3.199 -17.912 1.00 24.31 H new ATOM 0 HZ3 TRP A 32 11.053 0.780 -18.255 1.00 62.41 H new ATOM 0 HH2 TRP A 32 12.708 -0.938 -18.864 1.00 61.25 H new ATOM 457 N TYR A 33 6.572 -1.019 -11.370 1.00 2.20 N ATOM 458 CA TYR A 33 5.613 -0.169 -10.674 1.00 71.23 C ATOM 459 C TYR A 33 4.247 -0.221 -11.352 1.00 42.15 C ATOM 460 O TYR A 33 3.524 0.774 -11.395 1.00 55.35 O ATOM 461 CB TYR A 33 6.118 1.274 -10.628 1.00 54.14 C ATOM 462 CG TYR A 33 7.150 1.520 -9.552 1.00 5.30 C ATOM 463 CD1 TYR A 33 8.458 1.075 -9.702 1.00 42.30 C ATOM 464 CD2 TYR A 33 6.819 2.197 -8.385 1.00 33.13 C ATOM 465 CE1 TYR A 33 9.405 1.297 -8.721 1.00 43.40 C ATOM 466 CE2 TYR A 33 7.759 2.425 -7.399 1.00 65.32 C ATOM 467 CZ TYR A 33 9.051 1.973 -7.572 1.00 22.12 C ATOM 468 OH TYR A 33 9.991 2.197 -6.592 1.00 31.43 O ATOM 0 H TYR A 33 7.032 -1.710 -10.777 1.00 2.20 H new ATOM 0 HA TYR A 33 5.507 -0.542 -9.655 1.00 71.23 H new ATOM 0 HB2 TYR A 33 6.547 1.531 -11.597 1.00 54.14 H new ATOM 0 HB3 TYR A 33 5.271 1.941 -10.467 1.00 54.14 H new ATOM 0 HD1 TYR A 33 8.739 0.547 -10.601 1.00 42.30 H new ATOM 0 HD2 TYR A 33 5.808 2.551 -8.246 1.00 33.13 H new ATOM 0 HE1 TYR A 33 10.417 0.943 -8.853 1.00 43.40 H new ATOM 0 HE2 TYR A 33 7.484 2.954 -6.498 1.00 65.32 H new ATOM 0 HH TYR A 33 9.579 2.687 -5.850 1.00 31.43 H new ATOM 478 N LYS A 34 3.901 -1.389 -11.881 1.00 74.44 N ATOM 479 CA LYS A 34 2.622 -1.575 -12.557 1.00 34.05 C ATOM 480 C LYS A 34 2.242 -3.052 -12.607 1.00 2.41 C ATOM 481 O LYS A 34 3.075 -3.906 -12.911 1.00 51.31 O ATOM 482 CB LYS A 34 2.683 -1.005 -13.975 1.00 51.52 C ATOM 483 CG LYS A 34 2.282 0.458 -14.061 1.00 31.04 C ATOM 484 CD LYS A 34 1.670 0.790 -15.411 1.00 51.50 C ATOM 485 CE LYS A 34 0.269 0.214 -15.545 1.00 73.01 C ATOM 486 NZ LYS A 34 -0.755 1.092 -14.915 1.00 12.44 N ATOM 0 H LYS A 34 4.489 -2.222 -11.855 1.00 74.44 H new ATOM 0 HA LYS A 34 1.859 -1.041 -11.990 1.00 34.05 H new ATOM 0 HB2 LYS A 34 3.697 -1.118 -14.360 1.00 51.52 H new ATOM 0 HB3 LYS A 34 2.029 -1.591 -14.621 1.00 51.52 H new ATOM 0 HG2 LYS A 34 1.568 0.687 -13.270 1.00 31.04 H new ATOM 0 HG3 LYS A 34 3.157 1.086 -13.893 1.00 31.04 H new ATOM 0 HD2 LYS A 34 1.633 1.872 -15.539 1.00 51.50 H new ATOM 0 HD3 LYS A 34 2.304 0.396 -16.206 1.00 51.50 H new ATOM 0 HE2 LYS A 34 0.032 0.079 -16.600 1.00 73.01 H new ATOM 0 HE3 LYS A 34 0.236 -0.772 -15.082 1.00 73.01 H new ATOM 0 HZ1 LYS A 34 -1.696 0.664 -15.028 1.00 12.44 H new ATOM 0 HZ2 LYS A 34 -0.543 1.201 -13.903 1.00 12.44 H new ATOM 0 HZ3 LYS A 34 -0.742 2.025 -15.374 1.00 12.44 H new ATOM 500 N TRP A 35 0.982 -3.344 -12.309 1.00 33.04 N ATOM 501 CA TRP A 35 0.492 -4.718 -12.322 1.00 3.03 C ATOM 502 C TRP A 35 0.296 -5.212 -13.751 1.00 31.34 C ATOM 503 O TRP A 35 -0.642 -4.804 -14.435 1.00 15.32 O ATOM 504 CB TRP A 35 -0.823 -4.820 -11.548 1.00 52.12 C ATOM 505 CG TRP A 35 -0.672 -4.554 -10.081 1.00 23.41 C ATOM 506 CD1 TRP A 35 -0.961 -3.392 -9.424 1.00 63.32 C ATOM 507 CD2 TRP A 35 -0.193 -5.469 -9.089 1.00 61.54 C ATOM 508 NE1 TRP A 35 -0.690 -3.530 -8.084 1.00 52.11 N ATOM 509 CE2 TRP A 35 -0.219 -4.795 -7.853 1.00 20.11 C ATOM 510 CE3 TRP A 35 0.253 -6.793 -9.125 1.00 63.22 C ATOM 511 CZ2 TRP A 35 0.185 -5.401 -6.666 1.00 43.03 C ATOM 512 CZ3 TRP A 35 0.655 -7.393 -7.947 1.00 14.03 C ATOM 513 CH2 TRP A 35 0.618 -6.698 -6.731 1.00 13.33 C ATOM 0 H TRP A 35 0.280 -2.648 -12.055 1.00 33.04 H new ATOM 0 HA TRP A 35 1.238 -5.348 -11.839 1.00 3.03 H new ATOM 0 HB2 TRP A 35 -1.538 -4.112 -11.966 1.00 52.12 H new ATOM 0 HB3 TRP A 35 -1.242 -5.816 -11.688 1.00 52.12 H new ATOM 0 HD1 TRP A 35 -1.346 -2.497 -9.889 1.00 63.32 H new ATOM 0 HE1 TRP A 35 -0.819 -2.807 -7.376 1.00 52.11 H new ATOM 0 HE3 TRP A 35 0.283 -7.338 -10.057 1.00 63.22 H new ATOM 0 HZ2 TRP A 35 0.158 -4.867 -5.728 1.00 43.03 H new ATOM 0 HZ3 TRP A 35 1.004 -8.415 -7.964 1.00 14.03 H new ATOM 0 HH2 TRP A 35 0.937 -7.195 -5.827 1.00 13.33 H new ATOM 524 N ARG A 36 1.186 -6.093 -14.195 1.00 60.40 N ATOM 525 CA ARG A 36 1.110 -6.642 -15.544 1.00 20.24 C ATOM 526 C ARG A 36 0.907 -8.154 -15.505 1.00 24.14 C ATOM 527 O ARG A 36 1.282 -8.831 -14.547 1.00 13.24 O ATOM 528 CB ARG A 36 2.381 -6.307 -16.326 1.00 23.32 C ATOM 529 CG ARG A 36 2.872 -4.885 -16.110 1.00 24.21 C ATOM 530 CD ARG A 36 4.154 -4.615 -16.882 1.00 62.13 C ATOM 531 NE ARG A 36 4.612 -3.238 -16.719 1.00 54.22 N ATOM 532 CZ ARG A 36 4.048 -2.199 -17.327 1.00 22.53 C ATOM 533 NH1 ARG A 36 3.011 -2.381 -18.133 1.00 23.42 N ATOM 534 NH2 ARG A 36 4.522 -0.976 -17.128 1.00 15.12 N ATOM 0 H ARG A 36 1.968 -6.442 -13.641 1.00 60.40 H new ATOM 0 HA ARG A 36 0.254 -6.191 -16.045 1.00 20.24 H new ATOM 0 HB2 ARG A 36 3.169 -7.002 -16.037 1.00 23.32 H new ATOM 0 HB3 ARG A 36 2.195 -6.460 -17.389 1.00 23.32 H new ATOM 0 HG2 ARG A 36 2.101 -4.181 -16.425 1.00 24.21 H new ATOM 0 HG3 ARG A 36 3.044 -4.716 -15.047 1.00 24.21 H new ATOM 0 HD2 ARG A 36 4.932 -5.298 -16.542 1.00 62.13 H new ATOM 0 HD3 ARG A 36 3.990 -4.819 -17.940 1.00 62.13 H new ATOM 0 HE ARG A 36 5.408 -3.064 -16.105 1.00 54.22 H new ATOM 0 HH11 ARG A 36 2.644 -3.320 -18.288 1.00 23.42 H new ATOM 0 HH12 ARG A 36 2.580 -1.582 -18.598 1.00 23.42 H new ATOM 0 HH21 ARG A 36 5.319 -0.833 -16.508 1.00 15.12 H new ATOM 0 HH22 ARG A 36 4.089 -0.179 -17.595 1.00 15.12 H new ATOM 548 N PRO A 37 0.300 -8.698 -16.570 1.00 3.30 N ATOM 549 CA PRO A 37 0.034 -10.135 -16.682 1.00 2.14 C ATOM 550 C PRO A 37 1.310 -10.948 -16.871 1.00 43.22 C ATOM 551 O PRO A 37 2.400 -10.389 -17.006 1.00 30.50 O ATOM 552 CB PRO A 37 -0.854 -10.236 -17.924 1.00 43.34 C ATOM 553 CG PRO A 37 -0.508 -9.035 -18.735 1.00 53.42 C ATOM 554 CD PRO A 37 -0.173 -7.951 -17.748 1.00 24.21 C ATOM 0 HA PRO A 37 -0.426 -10.536 -15.779 1.00 2.14 H new ATOM 0 HB2 PRO A 37 -0.660 -11.156 -18.476 1.00 43.34 H new ATOM 0 HB3 PRO A 37 -1.911 -10.242 -17.656 1.00 43.34 H new ATOM 0 HG2 PRO A 37 0.337 -9.239 -19.393 1.00 53.42 H new ATOM 0 HG3 PRO A 37 -1.343 -8.740 -19.371 1.00 53.42 H new ATOM 0 HD2 PRO A 37 0.595 -7.280 -18.133 1.00 24.21 H new ATOM 0 HD3 PRO A 37 -1.043 -7.338 -17.513 1.00 24.21 H new ATOM 562 N LEU A 38 1.169 -12.269 -16.881 1.00 52.41 N ATOM 563 CA LEU A 38 2.311 -13.159 -17.055 1.00 60.21 C ATOM 564 C LEU A 38 2.028 -14.204 -18.129 1.00 71.34 C ATOM 565 O LEU A 38 0.893 -14.656 -18.287 1.00 4.32 O ATOM 566 CB LEU A 38 2.651 -13.849 -15.733 1.00 33.41 C ATOM 567 CG LEU A 38 3.208 -12.949 -14.630 1.00 21.23 C ATOM 568 CD1 LEU A 38 3.563 -13.770 -13.399 1.00 54.14 C ATOM 569 CD2 LEU A 38 4.424 -12.183 -15.130 1.00 54.41 C ATOM 0 H LEU A 38 0.275 -12.747 -16.771 1.00 52.41 H new ATOM 0 HA LEU A 38 3.163 -12.559 -17.374 1.00 60.21 H new ATOM 0 HB2 LEU A 38 1.750 -14.335 -15.358 1.00 33.41 H new ATOM 0 HB3 LEU A 38 3.378 -14.636 -15.934 1.00 33.41 H new ATOM 0 HG LEU A 38 2.438 -12.229 -14.352 1.00 21.23 H new ATOM 0 HD11 LEU A 38 3.958 -13.112 -12.625 1.00 54.14 H new ATOM 0 HD12 LEU A 38 2.670 -14.273 -13.027 1.00 54.14 H new ATOM 0 HD13 LEU A 38 4.315 -14.513 -13.662 1.00 54.14 H new ATOM 0 HD21 LEU A 38 4.807 -11.547 -14.332 1.00 54.41 H new ATOM 0 HD22 LEU A 38 5.197 -12.888 -15.436 1.00 54.41 H new ATOM 0 HD23 LEU A 38 4.140 -11.564 -15.981 1.00 54.41 H new ATOM 581 N ASP A 39 3.067 -14.586 -18.864 1.00 54.24 N ATOM 582 CA ASP A 39 2.931 -15.581 -19.922 1.00 13.30 C ATOM 583 C ASP A 39 4.152 -16.494 -19.969 1.00 51.23 C ATOM 584 O ASP A 39 5.290 -16.025 -19.990 1.00 24.12 O ATOM 585 CB ASP A 39 2.739 -14.895 -21.275 1.00 52.54 C ATOM 586 CG ASP A 39 2.591 -15.887 -22.412 1.00 1.11 C ATOM 587 OD1 ASP A 39 1.531 -16.543 -22.493 1.00 64.12 O ATOM 588 OD2 ASP A 39 3.535 -16.007 -23.221 1.00 12.14 O ATOM 0 H ASP A 39 4.013 -14.222 -18.747 1.00 54.24 H new ATOM 0 HA ASP A 39 2.053 -16.189 -19.704 1.00 13.30 H new ATOM 0 HB2 ASP A 39 1.855 -14.259 -21.234 1.00 52.54 H new ATOM 0 HB3 ASP A 39 3.591 -14.244 -21.473 1.00 52.54 H new ATOM 593 N CYS A 40 3.907 -17.800 -19.985 1.00 45.23 N ATOM 594 CA CYS A 40 4.986 -18.780 -20.028 1.00 41.35 C ATOM 595 C CYS A 40 5.661 -18.786 -21.397 1.00 75.23 C ATOM 596 O CYS A 40 5.011 -19.009 -22.419 1.00 44.14 O ATOM 597 CB CYS A 40 4.449 -20.175 -19.706 1.00 34.31 C ATOM 598 SG CYS A 40 4.529 -20.613 -17.939 1.00 64.24 S ATOM 0 H CYS A 40 2.971 -18.204 -19.969 1.00 45.23 H new ATOM 0 HA CYS A 40 5.727 -18.501 -19.278 1.00 41.35 H new ATOM 0 HB2 CYS A 40 3.413 -20.240 -20.039 1.00 34.31 H new ATOM 0 HB3 CYS A 40 5.014 -20.911 -20.278 1.00 34.31 H new ATOM 603 N ARG A 41 6.967 -18.541 -21.408 1.00 54.24 N ATOM 604 CA ARG A 41 7.729 -18.517 -22.651 1.00 21.42 C ATOM 605 C ARG A 41 9.074 -19.217 -22.477 1.00 31.03 C ATOM 606 O ARG A 41 9.687 -19.151 -21.411 1.00 1.51 O ATOM 607 CB ARG A 41 7.948 -17.075 -23.112 1.00 63.55 C ATOM 608 CG ARG A 41 6.785 -16.507 -23.909 1.00 31.42 C ATOM 609 CD ARG A 41 6.841 -16.943 -25.365 1.00 31.03 C ATOM 610 NE ARG A 41 6.078 -16.050 -26.233 1.00 32.32 N ATOM 611 CZ ARG A 41 5.951 -16.231 -27.543 1.00 14.33 C ATOM 612 NH1 ARG A 41 6.533 -17.266 -28.132 1.00 55.23 N ATOM 613 NH2 ARG A 41 5.240 -15.375 -28.266 1.00 15.35 N ATOM 0 H ARG A 41 7.519 -18.356 -20.571 1.00 54.24 H new ATOM 0 HA ARG A 41 7.156 -19.050 -23.410 1.00 21.42 H new ATOM 0 HB2 ARG A 41 8.121 -16.446 -22.239 1.00 63.55 H new ATOM 0 HB3 ARG A 41 8.851 -17.030 -23.721 1.00 63.55 H new ATOM 0 HG2 ARG A 41 5.845 -16.835 -23.466 1.00 31.42 H new ATOM 0 HG3 ARG A 41 6.802 -15.419 -23.853 1.00 31.42 H new ATOM 0 HD2 ARG A 41 7.879 -16.970 -25.696 1.00 31.03 H new ATOM 0 HD3 ARG A 41 6.451 -17.957 -25.455 1.00 31.03 H new ATOM 0 HE ARG A 41 5.618 -15.244 -25.811 1.00 32.32 H new ATOM 0 HH11 ARG A 41 7.080 -17.926 -27.579 1.00 55.23 H new ATOM 0 HH12 ARG A 41 6.434 -17.402 -29.138 1.00 55.23 H new ATOM 0 HH21 ARG A 41 4.791 -14.578 -27.816 1.00 15.35 H new ATOM 0 HH22 ARG A 41 5.143 -15.515 -29.272 1.00 15.35 H new ATOM 627 N CYS A 42 9.527 -19.888 -23.530 1.00 73.14 N ATOM 628 CA CYS A 42 10.798 -20.601 -23.495 1.00 72.11 C ATOM 629 C CYS A 42 11.955 -19.667 -23.836 1.00 3.35 C ATOM 630 O CYS A 42 12.271 -19.452 -25.007 1.00 20.43 O ATOM 631 CB CYS A 42 10.774 -21.778 -24.472 1.00 54.04 C ATOM 632 SG CYS A 42 9.721 -23.166 -23.939 1.00 24.02 S ATOM 0 H CYS A 42 9.032 -19.953 -24.419 1.00 73.14 H new ATOM 0 HA CYS A 42 10.945 -20.980 -22.484 1.00 72.11 H new ATOM 0 HB2 CYS A 42 10.426 -21.424 -25.442 1.00 54.04 H new ATOM 0 HB3 CYS A 42 11.792 -22.141 -24.612 1.00 54.04 H new ATOM 637 N LEU A 43 12.584 -19.113 -22.805 1.00 23.55 N ATOM 638 CA LEU A 43 13.708 -18.202 -22.993 1.00 54.12 C ATOM 639 C LEU A 43 14.997 -18.974 -23.256 1.00 11.45 C ATOM 640 O LEU A 43 15.320 -19.925 -22.544 1.00 74.22 O ATOM 641 CB LEU A 43 13.876 -17.308 -21.764 1.00 2.43 C ATOM 642 CG LEU A 43 13.395 -15.864 -21.913 1.00 34.04 C ATOM 643 CD1 LEU A 43 14.353 -15.069 -22.785 1.00 5.32 C ATOM 644 CD2 LEU A 43 11.988 -15.828 -22.493 1.00 23.11 C ATOM 0 H LEU A 43 12.335 -19.279 -21.830 1.00 23.55 H new ATOM 0 HA LEU A 43 13.497 -17.578 -23.862 1.00 54.12 H new ATOM 0 HB2 LEU A 43 13.340 -17.764 -20.932 1.00 2.43 H new ATOM 0 HB3 LEU A 43 14.932 -17.292 -21.493 1.00 2.43 H new ATOM 0 HG LEU A 43 13.371 -15.406 -20.924 1.00 34.04 H new ATOM 0 HD11 LEU A 43 13.994 -14.044 -22.879 1.00 5.32 H new ATOM 0 HD12 LEU A 43 15.343 -15.066 -22.329 1.00 5.32 H new ATOM 0 HD13 LEU A 43 14.410 -15.526 -23.773 1.00 5.32 H new ATOM 0 HD21 LEU A 43 11.662 -14.793 -22.592 1.00 23.11 H new ATOM 0 HD22 LEU A 43 11.986 -16.304 -23.473 1.00 23.11 H new ATOM 0 HD23 LEU A 43 11.307 -16.361 -21.829 1.00 23.11 H new ATOM 656 N LYS A 44 15.732 -18.556 -24.280 1.00 42.24 N ATOM 657 CA LYS A 44 16.989 -19.204 -24.636 1.00 32.33 C ATOM 658 C LYS A 44 17.972 -18.199 -25.227 1.00 11.13 C ATOM 659 O LYS A 44 17.596 -17.352 -26.037 1.00 62.13 O ATOM 660 CB LYS A 44 16.738 -20.336 -25.635 1.00 12.10 C ATOM 661 CG LYS A 44 16.566 -19.857 -27.066 1.00 14.30 C ATOM 662 CD LYS A 44 15.331 -18.984 -27.217 1.00 41.30 C ATOM 663 CE LYS A 44 14.981 -18.763 -28.680 1.00 55.44 C ATOM 664 NZ LYS A 44 14.671 -20.042 -29.376 1.00 75.40 N ATOM 0 H LYS A 44 15.479 -17.770 -24.879 1.00 42.24 H new ATOM 0 HA LYS A 44 17.424 -19.619 -23.727 1.00 32.33 H new ATOM 0 HB2 LYS A 44 17.571 -21.038 -25.593 1.00 12.10 H new ATOM 0 HB3 LYS A 44 15.845 -20.884 -25.334 1.00 12.10 H new ATOM 0 HG2 LYS A 44 17.449 -19.296 -27.371 1.00 14.30 H new ATOM 0 HG3 LYS A 44 16.489 -20.717 -27.732 1.00 14.30 H new ATOM 0 HD2 LYS A 44 14.489 -19.452 -26.707 1.00 41.30 H new ATOM 0 HD3 LYS A 44 15.502 -18.022 -26.733 1.00 41.30 H new ATOM 0 HE2 LYS A 44 14.123 -18.094 -28.751 1.00 55.44 H new ATOM 0 HE3 LYS A 44 15.813 -18.269 -29.182 1.00 55.44 H new ATOM 0 HZ1 LYS A 44 14.081 -19.849 -30.210 1.00 75.40 H new ATOM 0 HZ2 LYS A 44 15.557 -20.498 -29.676 1.00 75.40 H new ATOM 0 HZ3 LYS A 44 14.159 -20.674 -28.728 1.00 75.40 H new ATOM 678 N SER A 45 19.232 -18.299 -24.817 1.00 22.14 N ATOM 679 CA SER A 45 20.269 -17.397 -25.304 1.00 12.41 C ATOM 680 C SER A 45 21.402 -18.177 -25.964 1.00 53.40 C ATOM 681 O SER A 45 22.410 -18.485 -25.330 1.00 33.41 O ATOM 682 CB SER A 45 20.819 -16.550 -24.155 1.00 22.14 C ATOM 683 OG SER A 45 21.778 -15.617 -24.622 1.00 52.01 O ATOM 0 H SER A 45 19.560 -18.996 -24.148 1.00 22.14 H new ATOM 0 HA SER A 45 19.822 -16.739 -26.049 1.00 12.41 H new ATOM 0 HB2 SER A 45 20.001 -16.021 -23.665 1.00 22.14 H new ATOM 0 HB3 SER A 45 21.273 -17.199 -23.406 1.00 22.14 H new ATOM 0 HG SER A 45 22.113 -15.087 -23.869 1.00 52.01 H new ATOM 689 N GLY A 46 21.227 -18.492 -27.244 1.00 24.31 N ATOM 690 CA GLY A 46 22.242 -19.234 -27.970 1.00 0.31 C ATOM 691 C GLY A 46 22.462 -20.623 -27.404 1.00 15.42 C ATOM 692 O GLY A 46 23.456 -21.278 -27.715 1.00 43.23 O ATOM 0 H GLY A 46 20.402 -18.247 -27.791 1.00 24.31 H new ATOM 0 HA2 GLY A 46 21.950 -19.314 -29.017 1.00 0.31 H new ATOM 0 HA3 GLY A 46 23.181 -18.681 -27.943 1.00 0.31 H new ATOM 696 N PHE A 47 21.532 -21.073 -26.568 1.00 75.13 N ATOM 697 CA PHE A 47 21.629 -22.392 -25.955 1.00 23.51 C ATOM 698 C PHE A 47 20.845 -23.425 -26.759 1.00 35.35 C ATOM 699 O PHE A 47 20.242 -23.104 -27.783 1.00 61.11 O ATOM 700 CB PHE A 47 21.112 -22.349 -24.516 1.00 15.23 C ATOM 701 CG PHE A 47 21.880 -23.233 -23.575 1.00 52.23 C ATOM 702 CD1 PHE A 47 23.228 -23.015 -23.344 1.00 44.34 C ATOM 703 CD2 PHE A 47 21.253 -24.282 -22.922 1.00 62.15 C ATOM 704 CE1 PHE A 47 23.938 -23.826 -22.479 1.00 62.13 C ATOM 705 CE2 PHE A 47 21.958 -25.096 -22.056 1.00 73.40 C ATOM 706 CZ PHE A 47 23.302 -24.869 -21.835 1.00 41.11 C ATOM 0 H PHE A 47 20.703 -20.543 -26.300 1.00 75.13 H new ATOM 0 HA PHE A 47 22.679 -22.685 -25.947 1.00 23.51 H new ATOM 0 HB2 PHE A 47 21.156 -21.322 -24.154 1.00 15.23 H new ATOM 0 HB3 PHE A 47 20.063 -22.646 -24.506 1.00 15.23 H new ATOM 0 HD1 PHE A 47 23.730 -22.201 -23.846 1.00 44.34 H new ATOM 0 HD2 PHE A 47 20.202 -24.465 -23.092 1.00 62.15 H new ATOM 0 HE1 PHE A 47 24.989 -23.644 -22.307 1.00 62.13 H new ATOM 0 HE2 PHE A 47 21.458 -25.910 -21.552 1.00 73.40 H new ATOM 0 HZ PHE A 47 23.855 -25.506 -21.160 1.00 41.11 H new ATOM 716 N PHE A 48 20.857 -24.667 -26.286 1.00 60.44 N ATOM 717 CA PHE A 48 20.148 -25.749 -26.961 1.00 3.22 C ATOM 718 C PHE A 48 18.833 -26.062 -26.253 1.00 25.12 C ATOM 719 O PHE A 48 17.822 -26.345 -26.895 1.00 41.41 O ATOM 720 CB PHE A 48 21.022 -27.003 -27.016 1.00 24.40 C ATOM 721 CG PHE A 48 22.173 -26.890 -27.974 1.00 64.54 C ATOM 722 CD1 PHE A 48 23.397 -26.395 -27.553 1.00 71.32 C ATOM 723 CD2 PHE A 48 22.031 -27.279 -29.297 1.00 5.02 C ATOM 724 CE1 PHE A 48 24.458 -26.290 -28.432 1.00 62.35 C ATOM 725 CE2 PHE A 48 23.089 -27.177 -30.180 1.00 42.25 C ATOM 726 CZ PHE A 48 24.304 -26.681 -29.748 1.00 53.32 C ATOM 0 H PHE A 48 21.349 -24.949 -25.439 1.00 60.44 H new ATOM 0 HA PHE A 48 19.925 -25.425 -27.978 1.00 3.22 H new ATOM 0 HB2 PHE A 48 21.409 -27.210 -26.018 1.00 24.40 H new ATOM 0 HB3 PHE A 48 20.404 -27.854 -27.302 1.00 24.40 H new ATOM 0 HD1 PHE A 48 23.523 -26.088 -26.525 1.00 71.32 H new ATOM 0 HD2 PHE A 48 21.083 -27.666 -29.641 1.00 5.02 H new ATOM 0 HE1 PHE A 48 25.407 -25.903 -28.091 1.00 62.35 H new ATOM 0 HE2 PHE A 48 22.966 -27.485 -31.208 1.00 42.25 H new ATOM 0 HZ PHE A 48 25.131 -26.599 -30.437 1.00 53.32 H new ATOM 736 N SER A 49 18.856 -26.010 -24.925 1.00 24.52 N ATOM 737 CA SER A 49 17.668 -26.293 -24.128 1.00 41.31 C ATOM 738 C SER A 49 17.050 -25.002 -23.598 1.00 61.44 C ATOM 739 O SER A 49 17.659 -24.292 -22.798 1.00 61.33 O ATOM 740 CB SER A 49 18.018 -27.220 -22.963 1.00 1.04 C ATOM 741 OG SER A 49 16.935 -27.330 -22.056 1.00 32.33 O ATOM 0 H SER A 49 19.684 -25.775 -24.378 1.00 24.52 H new ATOM 0 HA SER A 49 16.939 -26.788 -24.770 1.00 41.31 H new ATOM 0 HB2 SER A 49 18.278 -28.207 -23.345 1.00 1.04 H new ATOM 0 HB3 SER A 49 18.896 -26.838 -22.442 1.00 1.04 H new ATOM 0 HG SER A 49 17.183 -27.929 -21.321 1.00 32.33 H new ATOM 747 N SER A 50 15.836 -24.706 -24.051 1.00 41.31 N ATOM 748 CA SER A 50 15.136 -23.499 -23.627 1.00 33.23 C ATOM 749 C SER A 50 14.203 -23.796 -22.457 1.00 14.14 C ATOM 750 O SER A 50 13.338 -24.668 -22.542 1.00 61.40 O ATOM 751 CB SER A 50 14.339 -22.910 -24.792 1.00 41.22 C ATOM 752 OG SER A 50 13.293 -23.780 -25.187 1.00 34.15 O ATOM 0 H SER A 50 15.317 -25.285 -24.711 1.00 41.31 H new ATOM 0 HA SER A 50 15.880 -22.772 -23.301 1.00 33.23 H new ATOM 0 HB2 SER A 50 13.923 -21.945 -24.501 1.00 41.22 H new ATOM 0 HB3 SER A 50 15.004 -22.729 -25.637 1.00 41.22 H new ATOM 0 HG SER A 50 13.088 -24.399 -24.455 1.00 34.15 H new ATOM 758 N LYS A 51 14.384 -23.063 -21.363 1.00 71.41 N ATOM 759 CA LYS A 51 13.559 -23.245 -20.174 1.00 42.15 C ATOM 760 C LYS A 51 12.340 -22.329 -20.213 1.00 73.54 C ATOM 761 O LYS A 51 12.466 -21.116 -20.384 1.00 24.54 O ATOM 762 CB LYS A 51 14.379 -22.967 -18.912 1.00 51.24 C ATOM 763 CG LYS A 51 13.612 -23.208 -17.624 1.00 22.33 C ATOM 764 CD LYS A 51 14.538 -23.627 -16.494 1.00 3.51 C ATOM 765 CE LYS A 51 15.341 -22.447 -15.966 1.00 31.42 C ATOM 766 NZ LYS A 51 16.462 -22.887 -15.090 1.00 32.44 N ATOM 0 H LYS A 51 15.095 -22.337 -21.275 1.00 71.41 H new ATOM 0 HA LYS A 51 13.214 -24.279 -20.156 1.00 42.15 H new ATOM 0 HB2 LYS A 51 15.268 -23.598 -18.920 1.00 51.24 H new ATOM 0 HB3 LYS A 51 14.723 -21.933 -18.932 1.00 51.24 H new ATOM 0 HG2 LYS A 51 13.079 -22.300 -17.341 1.00 22.33 H new ATOM 0 HG3 LYS A 51 12.861 -23.981 -17.786 1.00 22.33 H new ATOM 0 HD2 LYS A 51 13.952 -24.062 -15.684 1.00 3.51 H new ATOM 0 HD3 LYS A 51 15.218 -24.402 -16.847 1.00 3.51 H new ATOM 0 HE2 LYS A 51 15.738 -21.874 -16.804 1.00 31.42 H new ATOM 0 HE3 LYS A 51 14.683 -21.781 -15.407 1.00 31.42 H new ATOM 0 HZ1 LYS A 51 16.985 -22.054 -14.751 1.00 32.44 H new ATOM 0 HZ2 LYS A 51 16.082 -23.412 -14.277 1.00 32.44 H new ATOM 0 HZ3 LYS A 51 17.104 -23.502 -15.630 1.00 32.44 H new ATOM 780 N CYS A 52 11.159 -22.917 -20.053 1.00 71.32 N ATOM 781 CA CYS A 52 9.916 -22.155 -20.069 1.00 22.22 C ATOM 782 C CYS A 52 9.589 -21.620 -18.678 1.00 34.34 C ATOM 783 O CYS A 52 9.510 -22.379 -17.712 1.00 35.35 O ATOM 784 CB CYS A 52 8.765 -23.026 -20.576 1.00 64.32 C ATOM 785 SG CYS A 52 9.087 -23.821 -22.184 1.00 23.04 S ATOM 0 H CYS A 52 11.037 -23.920 -19.911 1.00 71.32 H new ATOM 0 HA CYS A 52 10.046 -21.309 -20.744 1.00 22.22 H new ATOM 0 HB2 CYS A 52 8.555 -23.799 -19.836 1.00 64.32 H new ATOM 0 HB3 CYS A 52 7.868 -22.412 -20.659 1.00 64.32 H new ATOM 790 N VAL A 53 9.399 -20.308 -18.584 1.00 33.03 N ATOM 791 CA VAL A 53 9.078 -19.671 -17.312 1.00 43.00 C ATOM 792 C VAL A 53 8.126 -18.497 -17.510 1.00 70.00 C ATOM 793 O VAL A 53 8.029 -17.939 -18.604 1.00 23.34 O ATOM 794 CB VAL A 53 10.349 -19.172 -16.598 1.00 72.41 C ATOM 795 CG1 VAL A 53 11.262 -20.340 -16.257 1.00 4.44 C ATOM 796 CG2 VAL A 53 11.076 -18.149 -17.458 1.00 32.52 C ATOM 0 H VAL A 53 9.462 -19.665 -19.373 1.00 33.03 H new ATOM 0 HA VAL A 53 8.595 -20.427 -16.693 1.00 43.00 H new ATOM 0 HB VAL A 53 10.056 -18.687 -15.667 1.00 72.41 H new ATOM 0 HG11 VAL A 53 12.155 -19.969 -15.753 1.00 4.44 H new ATOM 0 HG12 VAL A 53 10.736 -21.033 -15.600 1.00 4.44 H new ATOM 0 HG13 VAL A 53 11.550 -20.856 -17.173 1.00 4.44 H new ATOM 0 HG21 VAL A 53 11.971 -17.807 -16.938 1.00 32.52 H new ATOM 0 HG22 VAL A 53 11.359 -18.606 -18.406 1.00 32.52 H new ATOM 0 HG23 VAL A 53 10.419 -17.300 -17.646 1.00 32.52 H new ATOM 806 N CYS A 54 7.424 -18.126 -16.445 1.00 11.33 N ATOM 807 CA CYS A 54 6.478 -17.017 -16.500 1.00 23.43 C ATOM 808 C CYS A 54 7.197 -15.703 -16.792 1.00 72.32 C ATOM 809 O CYS A 54 8.060 -15.272 -16.027 1.00 74.12 O ATOM 810 CB CYS A 54 5.710 -16.909 -15.181 1.00 4.11 C ATOM 811 SG CYS A 54 4.263 -18.009 -15.071 1.00 33.23 S ATOM 0 H CYS A 54 7.492 -18.577 -15.533 1.00 11.33 H new ATOM 0 HA CYS A 54 5.773 -17.213 -17.308 1.00 23.43 H new ATOM 0 HB2 CYS A 54 6.388 -17.135 -14.358 1.00 4.11 H new ATOM 0 HB3 CYS A 54 5.381 -15.879 -15.048 1.00 4.11 H new ATOM 816 N ARG A 55 6.834 -15.072 -17.904 1.00 63.01 N ATOM 817 CA ARG A 55 7.444 -13.808 -18.299 1.00 25.14 C ATOM 818 C ARG A 55 6.411 -12.686 -18.310 1.00 11.41 C ATOM 819 O ARG A 55 5.206 -12.938 -18.334 1.00 2.20 O ATOM 820 CB ARG A 55 8.088 -13.937 -19.680 1.00 60.34 C ATOM 821 CG ARG A 55 9.252 -14.914 -19.721 1.00 42.42 C ATOM 822 CD ARG A 55 10.353 -14.508 -18.754 1.00 22.53 C ATOM 823 NE ARG A 55 11.598 -15.229 -19.008 1.00 50.54 N ATOM 824 CZ ARG A 55 12.607 -15.279 -18.146 1.00 44.14 C ATOM 825 NH1 ARG A 55 12.519 -14.655 -16.980 1.00 2.11 N ATOM 826 NH2 ARG A 55 13.708 -15.955 -18.450 1.00 50.05 N ATOM 0 H ARG A 55 6.121 -15.415 -18.547 1.00 63.01 H new ATOM 0 HA ARG A 55 8.215 -13.562 -17.569 1.00 25.14 H new ATOM 0 HB2 ARG A 55 7.331 -14.257 -20.396 1.00 60.34 H new ATOM 0 HB3 ARG A 55 8.437 -12.956 -20.002 1.00 60.34 H new ATOM 0 HG2 ARG A 55 8.898 -15.914 -19.472 1.00 42.42 H new ATOM 0 HG3 ARG A 55 9.654 -14.961 -20.733 1.00 42.42 H new ATOM 0 HD2 ARG A 55 10.531 -13.436 -18.837 1.00 22.53 H new ATOM 0 HD3 ARG A 55 10.026 -14.698 -17.732 1.00 22.53 H new ATOM 0 HE ARG A 55 11.698 -15.721 -19.896 1.00 50.54 H new ATOM 0 HH11 ARG A 55 11.675 -14.134 -16.743 1.00 2.11 H new ATOM 0 HH12 ARG A 55 13.296 -14.695 -16.320 1.00 2.11 H new ATOM 0 HH21 ARG A 55 13.780 -16.437 -19.346 1.00 50.05 H new ATOM 0 HH22 ARG A 55 14.483 -15.993 -17.787 1.00 50.05 H new ATOM 840 N ASP A 56 6.890 -11.447 -18.292 1.00 5.11 N ATOM 841 CA ASP A 56 6.009 -10.285 -18.301 1.00 34.43 C ATOM 842 C ASP A 56 5.548 -9.963 -19.719 1.00 63.40 C ATOM 843 O ASP A 56 6.336 -10.011 -20.664 1.00 75.24 O ATOM 844 CB ASP A 56 6.719 -9.074 -17.695 1.00 22.25 C ATOM 845 CG ASP A 56 7.758 -8.485 -18.628 1.00 64.53 C ATOM 846 OD1 ASP A 56 8.708 -9.211 -18.992 1.00 13.44 O ATOM 847 OD2 ASP A 56 7.623 -7.299 -18.995 1.00 31.20 O ATOM 0 H ASP A 56 7.885 -11.221 -18.271 1.00 5.11 H new ATOM 0 HA ASP A 56 5.132 -10.521 -17.698 1.00 34.43 H new ATOM 0 HB2 ASP A 56 5.982 -8.310 -17.449 1.00 22.25 H new ATOM 0 HB3 ASP A 56 7.198 -9.367 -16.761 1.00 22.25 H new ATOM 852 N VAL A 57 4.268 -9.636 -19.860 1.00 73.33 N ATOM 853 CA VAL A 57 3.702 -9.306 -21.163 1.00 21.40 C ATOM 854 C VAL A 57 2.737 -8.131 -21.061 1.00 41.52 C ATOM 855 O VAL A 57 2.109 -7.918 -20.024 1.00 53.25 O ATOM 856 CB VAL A 57 2.963 -10.511 -21.775 1.00 62.15 C ATOM 857 CG1 VAL A 57 3.892 -11.711 -21.880 1.00 4.14 C ATOM 858 CG2 VAL A 57 1.729 -10.852 -20.955 1.00 33.05 C ATOM 0 H VAL A 57 3.603 -9.592 -19.088 1.00 73.33 H new ATOM 0 HA VAL A 57 4.535 -9.033 -21.810 1.00 21.40 H new ATOM 0 HB VAL A 57 2.640 -10.243 -22.781 1.00 62.15 H new ATOM 0 HG11 VAL A 57 3.352 -12.552 -22.315 1.00 4.14 H new ATOM 0 HG12 VAL A 57 4.742 -11.459 -22.514 1.00 4.14 H new ATOM 0 HG13 VAL A 57 4.249 -11.983 -20.887 1.00 4.14 H new ATOM 0 HG21 VAL A 57 1.219 -11.706 -21.402 1.00 33.05 H new ATOM 0 HG22 VAL A 57 2.026 -11.100 -19.936 1.00 33.05 H new ATOM 0 HG23 VAL A 57 1.055 -9.995 -20.938 1.00 33.05 H new TER 868 VAL A 57