USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 268 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+ -122:sc= 0.185 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 45.602 -12.468 18.823 1.00 0.00 N ATOM 2 CA ALA A 1 44.472 -12.522 19.729 1.00 0.00 C ATOM 3 C ALA A 1 43.235 -12.970 18.963 1.00 0.00 C ATOM 4 O ALA A 1 43.303 -13.220 17.762 1.00 0.00 O ATOM 5 CB ALA A 1 44.257 -11.144 20.348 1.00 0.00 C ATOM 0 H1 ALA A 1 46.357 -13.093 19.172 1.00 0.00 H new ATOM 0 H2 ALA A 1 45.304 -12.780 17.877 1.00 0.00 H new ATOM 0 H3 ALA A 1 45.958 -11.492 18.769 1.00 0.00 H new ATOM 0 HA ALA A 1 44.664 -13.237 20.529 1.00 0.00 H new ATOM 0 HB1 ALA A 1 43.408 -11.180 21.030 1.00 0.00 H new ATOM 0 HB2 ALA A 1 45.151 -10.848 20.897 1.00 0.00 H new ATOM 0 HB3 ALA A 1 44.058 -10.418 19.560 1.00 0.00 H new ATOM 7 N ASP A 2 42.102 -13.071 19.662 1.00 0.00 N ATOM 8 CA ASP A 2 40.858 -13.488 19.048 1.00 0.00 C ATOM 9 C ASP A 2 39.745 -13.482 20.085 1.00 0.00 C ATOM 10 O ASP A 2 38.743 -12.790 19.919 1.00 0.00 O ATOM 11 CB ASP A 2 41.030 -14.880 18.447 1.00 0.00 C ATOM 0 H ASP A 2 42.030 -12.866 20.659 1.00 0.00 H new ATOM 0 HA ASP A 2 40.590 -12.794 18.252 1.00 0.00 H new ATOM 14 N THR A 3 39.924 -14.255 21.159 1.00 0.00 N ATOM 15 CA THR A 3 38.938 -14.335 22.217 1.00 0.00 C ATOM 16 C THR A 3 38.937 -13.043 23.021 1.00 0.00 C ATOM 17 O THR A 3 39.567 -12.065 22.624 1.00 0.00 O ATOM 18 CB THR A 3 39.253 -15.529 23.114 1.00 0.00 C ATOM 0 H THR A 3 40.750 -14.834 21.311 1.00 0.00 H new ATOM 0 HA THR A 3 37.946 -14.471 21.786 1.00 0.00 H new ATOM 21 N LYS A 4 38.226 -13.046 24.152 1.00 0.00 N ATOM 22 CA LYS A 4 38.138 -11.882 25.013 1.00 0.00 C ATOM 23 C LYS A 4 37.289 -10.811 24.345 1.00 0.00 C ATOM 24 O LYS A 4 37.815 -9.825 23.834 1.00 0.00 O ATOM 25 CB LYS A 4 39.539 -11.359 25.322 1.00 0.00 C ATOM 0 H LYS A 4 37.701 -13.854 24.488 1.00 0.00 H new ATOM 0 HA LYS A 4 37.662 -12.159 25.954 1.00 0.00 H new ATOM 28 N GLU A 5 35.968 -11.006 24.358 1.00 0.00 N ATOM 29 CA GLU A 5 35.047 -10.063 23.759 1.00 0.00 C ATOM 30 C GLU A 5 34.988 -8.800 24.607 1.00 0.00 C ATOM 31 O GLU A 5 35.054 -7.692 24.081 1.00 0.00 O ATOM 32 CB GLU A 5 33.666 -10.704 23.649 1.00 0.00 C ATOM 0 H GLU A 5 35.519 -11.818 24.782 1.00 0.00 H new ATOM 0 HA GLU A 5 35.389 -9.794 22.759 1.00 0.00 H new ATOM 35 N VAL A 6 34.872 -8.973 25.926 1.00 0.00 N ATOM 36 CA VAL A 6 34.807 -7.855 26.845 1.00 0.00 C ATOM 37 C VAL A 6 36.072 -7.018 26.733 1.00 0.00 C ATOM 38 O VAL A 6 36.010 -5.792 26.782 1.00 0.00 O ATOM 39 CB VAL A 6 34.626 -8.377 28.267 1.00 0.00 C ATOM 0 H VAL A 6 34.822 -9.887 26.375 1.00 0.00 H new ATOM 0 HA VAL A 6 33.956 -7.222 26.593 1.00 0.00 H new ATOM 42 N LEU A 7 37.222 -7.678 26.574 1.00 0.00 N ATOM 43 CA LEU A 7 38.487 -6.982 26.450 1.00 0.00 C ATOM 44 C LEU A 7 38.531 -6.261 25.111 1.00 0.00 C ATOM 45 O LEU A 7 38.864 -5.081 25.058 1.00 0.00 O ATOM 46 CB LEU A 7 39.633 -7.983 26.567 1.00 0.00 C ATOM 0 H LEU A 7 37.294 -8.694 26.529 1.00 0.00 H new ATOM 0 HA LEU A 7 38.590 -6.246 27.248 1.00 0.00 H new ATOM 49 N GLU A 8 38.195 -6.980 24.038 1.00 0.00 N ATOM 50 CA GLU A 8 38.184 -6.413 22.702 1.00 0.00 C ATOM 51 C GLU A 8 37.328 -5.154 22.677 1.00 0.00 C ATOM 52 O GLU A 8 37.728 -4.137 22.112 1.00 0.00 O ATOM 53 CB GLU A 8 37.655 -7.449 21.714 1.00 0.00 C ATOM 0 H GLU A 8 37.926 -7.963 24.077 1.00 0.00 H new ATOM 0 HA GLU A 8 39.199 -6.140 22.413 1.00 0.00 H new ATOM 56 N ALA A 9 36.153 -5.215 23.306 1.00 0.00 N ATOM 57 CA ALA A 9 35.265 -4.075 23.365 1.00 0.00 C ATOM 58 C ALA A 9 36.006 -2.975 24.097 1.00 0.00 C ATOM 59 O ALA A 9 35.978 -1.818 23.682 1.00 0.00 O ATOM 60 CB ALA A 9 33.979 -4.458 24.094 1.00 0.00 C ATOM 0 H ALA A 9 35.803 -6.048 23.780 1.00 0.00 H new ATOM 0 HA ALA A 9 34.982 -3.736 22.368 1.00 0.00 H new ATOM 0 HB1 ALA A 9 33.314 -3.596 24.136 1.00 0.00 H new ATOM 0 HB2 ALA A 9 33.486 -5.271 23.560 1.00 0.00 H new ATOM 0 HB3 ALA A 9 34.218 -4.781 25.107 1.00 0.00 H new ATOM 63 N ARG A 10 36.689 -3.344 25.181 1.00 0.00 N ATOM 64 CA ARG A 10 37.471 -2.398 25.946 1.00 0.00 C ATOM 65 C ARG A 10 38.541 -1.812 25.037 1.00 0.00 C ATOM 66 O ARG A 10 38.952 -0.668 25.220 1.00 0.00 O ATOM 67 CB ARG A 10 38.101 -3.107 27.141 1.00 0.00 C ATOM 0 H ARG A 10 36.710 -4.297 25.543 1.00 0.00 H new ATOM 0 HA ARG A 10 36.840 -1.593 26.322 1.00 0.00 H new ATOM 70 N GLU A 11 38.983 -2.589 24.043 1.00 0.00 N ATOM 71 CA GLU A 11 39.991 -2.120 23.115 1.00 0.00 C ATOM 72 C GLU A 11 39.391 -0.960 22.340 1.00 0.00 C ATOM 73 O GLU A 11 40.064 0.031 22.065 1.00 0.00 O ATOM 74 CB GLU A 11 40.393 -3.256 22.178 1.00 0.00 C ATOM 0 H GLU A 11 38.655 -3.539 23.869 1.00 0.00 H new ATOM 0 HA GLU A 11 40.888 -1.790 23.639 1.00 0.00 H new ATOM 77 N ALA A 12 38.107 -1.094 22.006 1.00 0.00 N ATOM 78 CA ALA A 12 37.384 -0.073 21.273 1.00 0.00 C ATOM 79 C ALA A 12 37.228 1.150 22.165 1.00 0.00 C ATOM 80 O ALA A 12 37.462 2.276 21.731 1.00 0.00 O ATOM 81 CB ALA A 12 36.016 -0.618 20.873 1.00 0.00 C ATOM 0 H ALA A 12 37.547 -1.914 22.239 1.00 0.00 H new ATOM 0 HA ALA A 12 37.928 0.207 20.371 1.00 0.00 H new ATOM 0 HB1 ALA A 12 35.467 0.145 20.321 1.00 0.00 H new ATOM 0 HB2 ALA A 12 36.145 -1.498 20.243 1.00 0.00 H new ATOM 0 HB3 ALA A 12 35.457 -0.891 21.768 1.00 0.00 H new ATOM 84 N TYR A 13 36.837 0.917 23.420 1.00 0.00 N ATOM 85 CA TYR A 13 36.653 1.985 24.381 1.00 0.00 C ATOM 86 C TYR A 13 37.949 2.770 24.522 1.00 0.00 C ATOM 87 O TYR A 13 37.926 3.958 24.838 1.00 0.00 O ATOM 88 CB TYR A 13 36.232 1.391 25.723 1.00 0.00 C ATOM 0 H TYR A 13 36.642 -0.014 23.788 1.00 0.00 H new ATOM 0 HA TYR A 13 35.872 2.664 24.039 1.00 0.00 H new ATOM 91 N PHE A 14 39.081 2.108 24.270 1.00 0.00 N ATOM 92 CA PHE A 14 40.378 2.744 24.362 1.00 0.00 C ATOM 93 C PHE A 14 40.576 3.614 23.132 1.00 0.00 C ATOM 94 O PHE A 14 41.106 4.719 23.227 1.00 0.00 O ATOM 95 CB PHE A 14 41.464 1.676 24.454 1.00 0.00 C ATOM 0 H PHE A 14 39.115 1.125 24.000 1.00 0.00 H new ATOM 0 HA PHE A 14 40.437 3.367 25.255 1.00 0.00 H new ATOM 98 N LYS A 15 40.138 3.113 21.974 1.00 0.00 N ATOM 99 CA LYS A 15 40.245 3.849 20.732 1.00 0.00 C ATOM 100 C LYS A 15 39.338 5.068 20.807 1.00 0.00 C ATOM 101 O LYS A 15 39.602 6.084 20.170 1.00 0.00 O ATOM 102 CB LYS A 15 39.844 2.945 19.569 1.00 0.00 C ATOM 0 H LYS A 15 39.705 2.194 21.881 1.00 0.00 H new ATOM 0 HA LYS A 15 41.272 4.178 20.572 1.00 0.00 H new ATOM 105 N SER A 16 38.268 4.961 21.599 1.00 0.00 N ATOM 106 CA SER A 16 37.329 6.051 21.770 1.00 0.00 C ATOM 107 C SER A 16 38.001 7.188 22.528 1.00 0.00 C ATOM 108 O SER A 16 38.244 8.252 21.963 1.00 0.00 O ATOM 109 CB SER A 16 36.099 5.550 22.522 1.00 0.00 C ATOM 0 H SER A 16 38.037 4.122 22.131 1.00 0.00 H new ATOM 0 HA SER A 16 37.012 6.424 20.796 1.00 0.00 H new ATOM 112 N LEU A 17 38.299 6.962 23.810 1.00 0.00 N ATOM 113 CA LEU A 17 38.943 7.969 24.632 1.00 0.00 C ATOM 114 C LEU A 17 40.273 8.364 24.004 1.00 0.00 C ATOM 115 O LEU A 17 40.702 9.512 24.111 1.00 0.00 O ATOM 116 CB LEU A 17 39.154 7.414 26.038 1.00 0.00 C ATOM 0 H LEU A 17 38.101 6.087 24.295 1.00 0.00 H new ATOM 0 HA LEU A 17 38.313 8.856 24.696 1.00 0.00 H new ATOM 119 N GLY A 18 40.914 7.409 23.328 1.00 0.00 N ATOM 120 CA GLY A 18 42.185 7.640 22.679 1.00 0.00 C ATOM 121 C GLY A 18 41.973 8.482 21.431 1.00 0.00 C ATOM 122 O GLY A 18 42.882 9.190 21.002 1.00 0.00 O ATOM 0 H GLY A 18 40.559 6.459 23.221 1.00 0.00 H new ATOM 0 HA2 GLY A 18 42.867 8.148 23.361 1.00 0.00 H new ATOM 0 HA3 GLY A 18 42.648 6.689 22.415 1.00 0.00 H new ATOM 126 N GLY A 19 40.771 8.419 20.849 1.00 0.00 N ATOM 127 CA GLY A 19 40.453 9.186 19.661 1.00 0.00 C ATOM 128 C GLY A 19 40.240 10.638 20.059 1.00 0.00 C ATOM 129 O GLY A 19 40.675 11.547 19.357 1.00 0.00 O ATOM 0 H GLY A 19 40.005 7.839 21.191 1.00 0.00 H new ATOM 0 HA2 GLY A 19 41.261 9.108 18.934 1.00 0.00 H new ATOM 0 HA3 GLY A 19 39.556 8.790 19.184 1.00 0.00 H new ATOM 133 N SER A 20 39.572 10.845 21.196 1.00 0.00 N ATOM 134 CA SER A 20 39.345 12.184 21.704 1.00 0.00 C ATOM 135 C SER A 20 40.712 12.844 21.874 1.00 0.00 C ATOM 136 O SER A 20 40.936 13.941 21.369 1.00 0.00 O ATOM 137 CB SER A 20 38.613 12.103 23.041 1.00 0.00 C ATOM 0 H SER A 20 39.183 10.100 21.775 1.00 0.00 H new ATOM 0 HA SER A 20 38.730 12.769 21.020 1.00 0.00 H new ATOM 140 N MET A 21 41.632 12.160 22.568 1.00 0.00 N ATOM 141 CA MET A 21 42.981 12.652 22.788 1.00 0.00 C ATOM 142 C MET A 21 43.671 12.951 21.458 1.00 0.00 C ATOM 143 O MET A 21 44.421 13.916 21.340 1.00 0.00 O ATOM 144 CB MET A 21 43.771 11.603 23.565 1.00 0.00 C ATOM 0 H MET A 21 41.452 11.249 22.990 1.00 0.00 H new ATOM 0 HA MET A 21 42.936 13.579 23.360 1.00 0.00 H new ATOM 147 N LYS A 22 43.410 12.096 20.470 1.00 0.00 N ATOM 148 CA LYS A 22 43.997 12.244 19.147 1.00 0.00 C ATOM 149 C LYS A 22 43.496 13.525 18.484 1.00 0.00 C ATOM 150 O LYS A 22 44.264 14.454 18.247 1.00 0.00 O ATOM 151 CB LYS A 22 43.650 11.025 18.297 1.00 0.00 C ATOM 0 H LYS A 22 42.792 11.290 20.566 1.00 0.00 H new ATOM 0 HA LYS A 22 45.081 12.314 19.240 1.00 0.00 H new ATOM 154 N ALA A 23 42.197 13.551 18.186 1.00 0.00 N ATOM 155 CA ALA A 23 41.579 14.711 17.563 1.00 0.00 C ATOM 156 C ALA A 23 41.857 15.962 18.399 1.00 0.00 C ATOM 157 O ALA A 23 41.822 17.081 17.890 1.00 0.00 O ATOM 158 CB ALA A 23 40.078 14.474 17.429 1.00 0.00 C ATOM 0 H ALA A 23 41.556 12.779 18.368 1.00 0.00 H new ATOM 0 HA ALA A 23 42.002 14.862 16.570 1.00 0.00 H new ATOM 0 HB1 ALA A 23 39.613 15.342 16.962 1.00 0.00 H new ATOM 0 HB2 ALA A 23 39.902 13.593 16.812 1.00 0.00 H new ATOM 0 HB3 ALA A 23 39.645 14.317 18.417 1.00 0.00 H new ATOM 161 N MET A 24 42.148 15.743 19.683 1.00 0.00 N ATOM 162 CA MET A 24 42.422 16.821 20.616 1.00 0.00 C ATOM 163 C MET A 24 43.853 17.323 20.474 1.00 0.00 C ATOM 164 O MET A 24 44.093 18.528 20.479 1.00 0.00 O ATOM 165 CB MET A 24 42.172 16.343 22.043 1.00 0.00 C ATOM 0 H MET A 24 42.199 14.813 20.098 1.00 0.00 H new ATOM 0 HA MET A 24 41.752 17.650 20.388 1.00 0.00 H new ATOM 168 N THR A 25 44.804 16.395 20.355 1.00 0.00 N ATOM 169 CA THR A 25 46.210 16.735 20.252 1.00 0.00 C ATOM 170 C THR A 25 46.550 17.328 18.892 1.00 0.00 C ATOM 171 O THR A 25 47.428 18.184 18.799 1.00 0.00 O ATOM 172 CB THR A 25 47.047 15.485 20.511 1.00 0.00 C ATOM 0 H THR A 25 44.615 15.393 20.328 1.00 0.00 H new ATOM 0 HA THR A 25 46.437 17.495 21.000 1.00 0.00 H new ATOM 175 N GLY A 26 45.863 16.884 17.836 1.00 0.00 N ATOM 176 CA GLY A 26 46.106 17.376 16.493 1.00 0.00 C ATOM 177 C GLY A 26 45.388 18.707 16.328 1.00 0.00 C ATOM 178 O GLY A 26 45.985 19.700 15.919 1.00 0.00 O ATOM 0 H GLY A 26 45.129 16.178 17.895 1.00 0.00 H new ATOM 0 HA2 GLY A 26 47.176 17.499 16.323 1.00 0.00 H new ATOM 0 HA3 GLY A 26 45.746 16.658 15.756 1.00 0.00 H new ATOM 182 N VAL A 27 44.095 18.710 16.659 1.00 0.00 N ATOM 183 CA VAL A 27 43.290 19.910 16.570 1.00 0.00 C ATOM 184 C VAL A 27 43.919 20.959 17.474 1.00 0.00 C ATOM 185 O VAL A 27 44.088 22.111 17.081 1.00 0.00 O ATOM 186 CB VAL A 27 41.860 19.600 17.003 1.00 0.00 C ATOM 0 H VAL A 27 43.590 17.888 16.991 1.00 0.00 H new ATOM 0 HA VAL A 27 43.255 20.283 15.546 1.00 0.00 H new ATOM 189 N ALA A 28 44.276 20.539 18.689 1.00 0.00 N ATOM 190 CA ALA A 28 44.899 21.415 19.659 1.00 0.00 C ATOM 191 C ALA A 28 46.193 21.986 19.096 1.00 0.00 C ATOM 192 O ALA A 28 46.479 23.166 19.282 1.00 0.00 O ATOM 193 CB ALA A 28 45.173 20.633 20.940 1.00 0.00 C ATOM 0 H ALA A 28 44.138 19.584 19.019 1.00 0.00 H new ATOM 0 HA ALA A 28 44.229 22.245 19.883 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.642 21.289 21.673 1.00 0.00 H new ATOM 0 HB2 ALA A 28 44.234 20.252 21.342 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.839 19.798 20.721 1.00 0.00 H new ATOM 196 N LYS A 29 46.977 21.155 18.402 1.00 0.00 N ATOM 197 CA LYS A 29 48.234 21.588 17.827 1.00 0.00 C ATOM 198 C LYS A 29 47.974 22.516 16.649 1.00 0.00 C ATOM 199 O LYS A 29 48.771 23.411 16.377 1.00 0.00 O ATOM 200 CB LYS A 29 49.034 20.366 17.384 1.00 0.00 C ATOM 0 H LYS A 29 46.753 20.175 18.230 1.00 0.00 H new ATOM 0 HA LYS A 29 48.809 22.136 18.573 1.00 0.00 H new ATOM 203 N ALA A 30 46.854 22.305 15.954 1.00 0.00 N ATOM 204 CA ALA A 30 46.491 23.121 14.815 1.00 0.00 C ATOM 205 C ALA A 30 46.085 24.507 15.300 1.00 0.00 C ATOM 206 O ALA A 30 46.741 25.075 16.170 1.00 0.00 O ATOM 207 CB ALA A 30 45.355 22.442 14.055 1.00 0.00 C ATOM 0 H ALA A 30 46.184 21.567 16.170 1.00 0.00 H new ATOM 0 HA ALA A 30 47.338 23.231 14.138 1.00 0.00 H new ATOM 0 HB1 ALA A 30 45.077 23.052 13.195 1.00 0.00 H new ATOM 0 HB2 ALA A 30 45.682 21.460 13.713 1.00 0.00 H new ATOM 0 HB3 ALA A 30 44.494 22.328 14.713 1.00 0.00 H new ATOM 210 N PHE A 31 44.998 25.052 14.748 1.00 0.00 N ATOM 211 CA PHE A 31 44.527 26.365 15.137 1.00 0.00 C ATOM 212 C PHE A 31 43.193 26.655 14.464 1.00 0.00 C ATOM 213 O PHE A 31 43.144 27.384 13.476 1.00 0.00 O ATOM 214 CB PHE A 31 45.567 27.412 14.749 1.00 0.00 C ATOM 0 H PHE A 31 44.434 24.597 14.031 1.00 0.00 H new ATOM 0 HA PHE A 31 44.381 26.399 16.217 1.00 0.00 H new ATOM 217 N ASP A 32 42.113 26.088 15.008 1.00 0.00 N ATOM 218 CA ASP A 32 40.778 26.278 14.476 1.00 0.00 C ATOM 219 C ASP A 32 39.768 26.017 15.585 1.00 0.00 C ATOM 220 O ASP A 32 40.131 26.061 16.759 1.00 0.00 O ATOM 221 CB ASP A 32 40.557 25.326 13.304 1.00 0.00 C ATOM 0 H ASP A 32 42.149 25.485 15.830 1.00 0.00 H new ATOM 0 HA ASP A 32 40.654 27.299 14.115 1.00 0.00 H new ATOM 224 N ALA A 33 38.515 25.745 15.200 1.00 0.00 N ATOM 225 CA ALA A 33 37.437 25.474 16.137 1.00 0.00 C ATOM 226 C ALA A 33 36.548 24.360 15.602 1.00 0.00 C ATOM 227 O ALA A 33 35.919 23.644 16.377 1.00 0.00 O ATOM 228 CB ALA A 33 36.626 26.749 16.352 1.00 0.00 C ATOM 0 H ALA A 33 38.227 25.708 14.222 1.00 0.00 H new ATOM 0 HA ALA A 33 37.854 25.151 17.091 1.00 0.00 H new ATOM 0 HB1 ALA A 33 35.816 26.551 17.054 1.00 0.00 H new ATOM 0 HB2 ALA A 33 37.273 27.528 16.755 1.00 0.00 H new ATOM 0 HB3 ALA A 33 36.209 27.080 15.401 1.00 0.00 H new ATOM 231 N GLU A 34 36.501 24.206 14.277 1.00 0.00 N ATOM 232 CA GLU A 34 35.690 23.178 13.657 1.00 0.00 C ATOM 233 C GLU A 34 36.163 21.804 14.109 1.00 0.00 C ATOM 234 O GLU A 34 35.352 20.954 14.472 1.00 0.00 O ATOM 235 CB GLU A 34 35.782 23.308 12.139 1.00 0.00 C ATOM 0 H GLU A 34 37.020 24.787 13.618 1.00 0.00 H new ATOM 0 HA GLU A 34 34.649 23.299 13.958 1.00 0.00 H new ATOM 238 N ALA A 35 37.481 21.590 14.093 1.00 0.00 N ATOM 239 CA ALA A 35 38.059 20.323 14.494 1.00 0.00 C ATOM 240 C ALA A 35 37.704 20.014 15.942 1.00 0.00 C ATOM 241 O ALA A 35 37.265 18.907 16.247 1.00 0.00 O ATOM 242 CB ALA A 35 39.573 20.379 14.312 1.00 0.00 C ATOM 0 H ALA A 35 38.165 22.289 13.803 1.00 0.00 H new ATOM 0 HA ALA A 35 37.654 19.527 13.870 1.00 0.00 H new ATOM 0 HB1 ALA A 35 40.011 19.427 14.613 1.00 0.00 H new ATOM 0 HB2 ALA A 35 39.807 20.571 13.265 1.00 0.00 H new ATOM 0 HB3 ALA A 35 39.984 21.179 14.928 1.00 0.00 H new ATOM 245 N ALA A 36 37.898 20.995 16.828 1.00 0.00 N ATOM 246 CA ALA A 36 37.609 20.838 18.242 1.00 0.00 C ATOM 247 C ALA A 36 36.199 20.305 18.454 1.00 0.00 C ATOM 248 O ALA A 36 36.010 19.330 19.178 1.00 0.00 O ATOM 249 CB ALA A 36 37.785 22.181 18.944 1.00 0.00 C ATOM 0 H ALA A 36 38.259 21.916 16.578 1.00 0.00 H new ATOM 0 HA ALA A 36 38.304 20.113 18.667 1.00 0.00 H new ATOM 0 HB1 ALA A 36 37.569 22.067 20.006 1.00 0.00 H new ATOM 0 HB2 ALA A 36 38.811 22.526 18.817 1.00 0.00 H new ATOM 0 HB3 ALA A 36 37.101 22.911 18.511 1.00 0.00 H new ATOM 252 N LYS A 37 35.210 20.943 17.823 1.00 0.00 N ATOM 253 CA LYS A 37 33.827 20.525 17.946 1.00 0.00 C ATOM 254 C LYS A 37 33.694 19.058 17.560 1.00 0.00 C ATOM 255 O LYS A 37 33.072 18.279 18.278 1.00 0.00 O ATOM 256 CB LYS A 37 32.952 21.401 17.054 1.00 0.00 C ATOM 0 H LYS A 37 35.351 21.754 17.221 1.00 0.00 H new ATOM 0 HA LYS A 37 33.499 20.638 18.979 1.00 0.00 H new ATOM 259 N VAL A 38 34.288 18.686 16.424 1.00 0.00 N ATOM 260 CA VAL A 38 34.242 17.318 15.949 1.00 0.00 C ATOM 261 C VAL A 38 34.787 16.389 17.025 1.00 0.00 C ATOM 262 O VAL A 38 34.213 15.334 17.301 1.00 0.00 O ATOM 263 CB VAL A 38 35.061 17.199 14.667 1.00 0.00 C ATOM 0 H VAL A 38 34.807 19.323 15.819 1.00 0.00 H new ATOM 0 HA VAL A 38 33.212 17.033 15.733 1.00 0.00 H new ATOM 266 N GLU A 39 35.886 16.795 17.666 1.00 0.00 N ATOM 267 CA GLU A 39 36.491 15.998 18.707 1.00 0.00 C ATOM 268 C GLU A 39 35.484 15.901 19.835 1.00 0.00 C ATOM 269 O GLU A 39 35.305 14.833 20.409 1.00 0.00 O ATOM 270 CB GLU A 39 37.782 16.662 19.177 1.00 0.00 C ATOM 0 H GLU A 39 36.367 17.674 17.474 1.00 0.00 H new ATOM 0 HA GLU A 39 36.748 15.001 18.349 1.00 0.00 H new ATOM 273 N ALA A 40 34.827 17.024 20.136 1.00 0.00 N ATOM 274 CA ALA A 40 33.813 17.090 21.171 1.00 0.00 C ATOM 275 C ALA A 40 32.782 15.987 20.979 1.00 0.00 C ATOM 276 O ALA A 40 32.511 15.228 21.907 1.00 0.00 O ATOM 277 CB ALA A 40 33.128 18.452 21.104 1.00 0.00 C ATOM 0 H ALA A 40 34.990 17.912 19.662 1.00 0.00 H new ATOM 0 HA ALA A 40 34.284 16.955 22.145 1.00 0.00 H new ATOM 0 HB1 ALA A 40 32.363 18.513 21.878 1.00 0.00 H new ATOM 0 HB2 ALA A 40 33.866 19.239 21.260 1.00 0.00 H new ATOM 0 HB3 ALA A 40 32.665 18.579 20.125 1.00 0.00 H new ATOM 280 N ALA A 41 32.207 15.918 19.775 1.00 0.00 N ATOM 281 CA ALA A 41 31.212 14.914 19.448 1.00 0.00 C ATOM 282 C ALA A 41 31.758 13.537 19.793 1.00 0.00 C ATOM 283 O ALA A 41 31.066 12.723 20.405 1.00 0.00 O ATOM 284 CB ALA A 41 30.867 15.006 17.965 1.00 0.00 C ATOM 0 H ALA A 41 32.422 16.556 19.009 1.00 0.00 H new ATOM 0 HA ALA A 41 30.303 15.084 20.025 1.00 0.00 H new ATOM 0 HB1 ALA A 41 30.119 14.252 17.718 1.00 0.00 H new ATOM 0 HB2 ALA A 41 30.470 15.997 17.745 1.00 0.00 H new ATOM 0 HB3 ALA A 41 31.765 14.835 17.371 1.00 0.00 H new ATOM 287 N LYS A 42 33.016 13.291 19.422 1.00 0.00 N ATOM 288 CA LYS A 42 33.649 12.021 19.718 1.00 0.00 C ATOM 289 C LYS A 42 33.679 11.825 21.231 1.00 0.00 C ATOM 290 O LYS A 42 33.305 10.768 21.735 1.00 0.00 O ATOM 291 CB LYS A 42 35.062 12.010 19.142 1.00 0.00 C ATOM 0 H LYS A 42 33.606 13.954 18.920 1.00 0.00 H new ATOM 0 HA LYS A 42 33.087 11.204 19.266 1.00 0.00 H new ATOM 294 N LEU A 43 34.124 12.860 21.946 1.00 0.00 N ATOM 295 CA LEU A 43 34.232 12.840 23.390 1.00 0.00 C ATOM 296 C LEU A 43 32.922 12.445 24.054 1.00 0.00 C ATOM 297 O LEU A 43 32.871 11.428 24.740 1.00 0.00 O ATOM 298 CB LEU A 43 34.684 14.214 23.878 1.00 0.00 C ATOM 0 H LEU A 43 34.420 13.741 21.526 1.00 0.00 H new ATOM 0 HA LEU A 43 34.969 12.086 23.667 1.00 0.00 H new ATOM 301 N GLU A 44 31.869 13.249 23.878 1.00 0.00 N ATOM 302 CA GLU A 44 30.576 12.995 24.485 1.00 0.00 C ATOM 303 C GLU A 44 30.100 11.564 24.260 1.00 0.00 C ATOM 304 O GLU A 44 29.670 10.893 25.196 1.00 0.00 O ATOM 305 CB GLU A 44 29.560 13.980 23.915 1.00 0.00 C ATOM 0 H GLU A 44 31.898 14.094 23.308 1.00 0.00 H new ATOM 0 HA GLU A 44 30.676 13.130 25.562 1.00 0.00 H new ATOM 308 N LYS A 45 30.175 11.102 23.013 1.00 0.00 N ATOM 309 CA LYS A 45 29.718 9.768 22.674 1.00 0.00 C ATOM 310 C LYS A 45 30.590 8.686 23.304 1.00 0.00 C ATOM 311 O LYS A 45 30.078 7.777 23.954 1.00 0.00 O ATOM 312 CB LYS A 45 29.698 9.617 21.155 1.00 0.00 C ATOM 0 H LYS A 45 30.548 11.635 22.227 1.00 0.00 H new ATOM 0 HA LYS A 45 28.713 9.639 23.075 1.00 0.00 H new ATOM 315 N ILE A 46 31.904 8.788 23.092 1.00 0.00 N ATOM 316 CA ILE A 46 32.848 7.794 23.571 1.00 0.00 C ATOM 317 C ILE A 46 33.218 7.938 25.045 1.00 0.00 C ATOM 318 O ILE A 46 32.867 7.099 25.871 1.00 0.00 O ATOM 319 CB ILE A 46 34.106 7.853 22.709 1.00 0.00 C ATOM 0 H ILE A 46 32.335 9.561 22.585 1.00 0.00 H new ATOM 0 HA ILE A 46 32.355 6.826 23.487 1.00 0.00 H new ATOM 322 N LEU A 47 33.963 9.001 25.346 1.00 0.00 N ATOM 323 CA LEU A 47 34.471 9.234 26.686 1.00 0.00 C ATOM 324 C LEU A 47 33.380 9.454 27.731 1.00 0.00 C ATOM 325 O LEU A 47 33.488 8.953 28.848 1.00 0.00 O ATOM 326 CB LEU A 47 35.429 10.422 26.658 1.00 0.00 C ATOM 0 H LEU A 47 34.227 9.717 24.669 1.00 0.00 H new ATOM 0 HA LEU A 47 34.991 8.326 26.992 1.00 0.00 H new ATOM 329 N ALA A 48 32.337 10.205 27.378 1.00 0.00 N ATOM 330 CA ALA A 48 31.280 10.524 28.322 1.00 0.00 C ATOM 331 C ALA A 48 30.409 9.328 28.683 1.00 0.00 C ATOM 332 O ALA A 48 30.842 8.184 28.565 1.00 0.00 O ATOM 333 CB ALA A 48 30.421 11.657 27.775 1.00 0.00 C ATOM 0 H ALA A 48 32.206 10.600 26.447 1.00 0.00 H new ATOM 0 HA ALA A 48 31.768 10.836 29.245 1.00 0.00 H new ATOM 0 HB1 ALA A 48 29.630 11.891 28.488 1.00 0.00 H new ATOM 0 HB2 ALA A 48 31.041 12.540 27.617 1.00 0.00 H new ATOM 0 HB3 ALA A 48 29.977 11.352 26.828 1.00 0.00 H new ATOM 336 N THR A 49 29.190 9.647 29.138 1.00 0.00 N ATOM 337 CA THR A 49 28.196 8.675 29.562 1.00 0.00 C ATOM 338 C THR A 49 28.175 7.454 28.657 1.00 0.00 C ATOM 339 O THR A 49 27.155 7.143 28.047 1.00 0.00 O ATOM 340 CB THR A 49 26.823 9.341 29.591 1.00 0.00 C ATOM 0 H THR A 49 28.869 10.612 29.220 1.00 0.00 H new ATOM 0 HA THR A 49 28.460 8.328 30.561 1.00 0.00 H new ATOM 343 N ASP A 50 29.317 6.764 28.584 1.00 0.00 N ATOM 344 CA ASP A 50 29.474 5.565 27.790 1.00 0.00 C ATOM 345 C ASP A 50 30.604 4.732 28.391 1.00 0.00 C ATOM 346 O ASP A 50 30.559 3.505 28.335 1.00 0.00 O ATOM 347 CB ASP A 50 29.786 5.947 26.346 1.00 0.00 C ATOM 0 H ASP A 50 30.163 7.035 29.085 1.00 0.00 H new ATOM 0 HA ASP A 50 28.555 4.978 27.794 1.00 0.00 H new ATOM 350 N VAL A 51 31.611 5.400 28.971 1.00 0.00 N ATOM 351 CA VAL A 51 32.749 4.741 29.585 1.00 0.00 C ATOM 352 C VAL A 51 32.307 3.655 30.553 1.00 0.00 C ATOM 353 O VAL A 51 32.676 2.494 30.388 1.00 0.00 O ATOM 354 CB VAL A 51 33.601 5.782 30.306 1.00 0.00 C ATOM 0 H VAL A 51 31.650 6.418 29.022 1.00 0.00 H new ATOM 0 HA VAL A 51 33.338 4.260 28.803 1.00 0.00 H new ATOM 357 N ALA A 52 31.522 4.031 31.566 1.00 0.00 N ATOM 358 CA ALA A 52 31.036 3.081 32.546 1.00 0.00 C ATOM 359 C ALA A 52 30.300 1.954 31.831 1.00 0.00 C ATOM 360 O ALA A 52 29.944 2.090 30.662 1.00 0.00 O ATOM 361 CB ALA A 52 30.109 3.794 33.527 1.00 0.00 C ATOM 0 H ALA A 52 31.214 4.991 31.721 1.00 0.00 H new ATOM 0 HA ALA A 52 31.872 2.657 33.103 1.00 0.00 H new ATOM 0 HB1 ALA A 52 29.742 3.081 34.265 1.00 0.00 H new ATOM 0 HB2 ALA A 52 30.656 4.590 34.032 1.00 0.00 H new ATOM 0 HB3 ALA A 52 29.265 4.221 32.985 1.00 0.00 H new ATOM 364 N PRO A 53 30.081 0.839 32.533 1.00 0.00 N ATOM 365 CA PRO A 53 29.388 -0.308 31.974 1.00 0.00 C ATOM 366 C PRO A 53 30.259 -1.048 30.964 1.00 0.00 C ATOM 367 O PRO A 53 29.776 -1.949 30.281 1.00 0.00 O ATOM 368 CB PRO A 53 28.074 0.139 31.339 1.00 0.00 C ATOM 0 HA PRO A 53 29.169 -1.005 32.783 1.00 0.00 H new ATOM 370 N LEU A 54 31.538 -0.673 30.863 1.00 0.00 N ATOM 371 CA LEU A 54 32.455 -1.327 29.955 1.00 0.00 C ATOM 372 C LEU A 54 32.481 -2.818 30.264 1.00 0.00 C ATOM 373 O LEU A 54 32.669 -3.633 29.362 1.00 0.00 O ATOM 374 CB LEU A 54 33.845 -0.717 30.111 1.00 0.00 C ATOM 0 H LEU A 54 31.953 0.084 31.406 1.00 0.00 H new ATOM 0 HA LEU A 54 32.130 -1.186 28.924 1.00 0.00 H new ATOM 377 N PHE A 55 32.281 -3.171 31.538 1.00 0.00 N ATOM 378 CA PHE A 55 32.270 -4.561 31.958 1.00 0.00 C ATOM 379 C PHE A 55 31.506 -4.736 33.263 1.00 0.00 C ATOM 380 O PHE A 55 30.608 -3.956 33.571 1.00 0.00 O ATOM 381 CB PHE A 55 33.701 -5.068 32.091 1.00 0.00 C ATOM 0 H PHE A 55 32.125 -2.504 32.293 1.00 0.00 H new ATOM 0 HA PHE A 55 31.755 -5.151 31.200 1.00 0.00 H new ATOM 384 N PRO A 56 31.869 -5.774 34.021 1.00 0.00 N ATOM 385 CA PRO A 56 31.215 -6.097 35.274 1.00 0.00 C ATOM 386 C PRO A 56 31.473 -5.046 36.344 1.00 0.00 C ATOM 387 O PRO A 56 31.299 -3.853 36.104 1.00 0.00 O ATOM 388 CB PRO A 56 29.717 -6.259 35.034 1.00 0.00 C ATOM 0 HA PRO A 56 31.634 -7.033 35.643 1.00 0.00 H new ATOM 390 N ALA A 57 31.892 -5.515 37.524 1.00 0.00 N ATOM 391 CA ALA A 57 32.151 -4.661 38.669 1.00 0.00 C ATOM 392 C ALA A 57 33.603 -4.198 38.703 1.00 0.00 C ATOM 393 O ALA A 57 34.025 -3.591 39.685 1.00 0.00 O ATOM 394 CB ALA A 57 31.819 -5.432 39.943 1.00 0.00 C ATOM 0 H ALA A 57 32.059 -6.505 37.704 1.00 0.00 H new ATOM 0 HA ALA A 57 31.525 -3.772 38.592 1.00 0.00 H new ATOM 0 HB1 ALA A 57 32.010 -4.800 40.811 1.00 0.00 H new ATOM 0 HB2 ALA A 57 30.768 -5.722 39.929 1.00 0.00 H new ATOM 0 HB3 ALA A 57 32.441 -6.325 40.000 1.00 0.00 H new ATOM 397 N GLY A 58 34.371 -4.486 37.648 1.00 0.00 N ATOM 398 CA GLY A 58 35.767 -4.088 37.610 1.00 0.00 C ATOM 399 C GLY A 58 36.362 -4.172 36.211 1.00 0.00 C ATOM 400 O GLY A 58 36.897 -3.184 35.713 1.00 0.00 O ATOM 0 H GLY A 58 34.047 -4.988 36.821 1.00 0.00 H new ATOM 0 HA2 GLY A 58 35.860 -3.067 37.980 1.00 0.00 H new ATOM 0 HA3 GLY A 58 36.341 -4.724 38.284 1.00 0.00 H new ATOM 404 N THR A 59 36.285 -5.348 35.582 1.00 0.00 N ATOM 405 CA THR A 59 36.851 -5.541 34.260 1.00 0.00 C ATOM 406 C THR A 59 38.367 -5.456 34.361 1.00 0.00 C ATOM 407 O THR A 59 38.987 -4.610 33.721 1.00 0.00 O ATOM 408 CB THR A 59 36.321 -4.473 33.310 1.00 0.00 C ATOM 0 H THR A 59 35.835 -6.175 35.973 1.00 0.00 H new ATOM 0 HA THR A 59 36.567 -6.519 33.871 1.00 0.00 H new ATOM 411 N SER A 60 38.960 -6.336 35.173 1.00 0.00 N ATOM 412 CA SER A 60 40.396 -6.354 35.377 1.00 0.00 C ATOM 413 C SER A 60 40.729 -7.348 36.480 1.00 0.00 C ATOM 414 O SER A 60 41.248 -8.428 36.207 1.00 0.00 O ATOM 415 CB SER A 60 40.877 -4.955 35.753 1.00 0.00 C ATOM 0 H SER A 60 38.455 -7.048 35.700 1.00 0.00 H new ATOM 0 HA SER A 60 40.900 -6.659 34.460 1.00 0.00 H new ATOM 418 N SER A 61 40.434 -6.971 37.728 1.00 0.00 N ATOM 419 CA SER A 61 40.679 -7.828 38.873 1.00 0.00 C ATOM 420 C SER A 61 42.171 -7.930 39.158 1.00 0.00 C ATOM 421 O SER A 61 42.908 -6.965 38.972 1.00 0.00 O ATOM 422 CB SER A 61 40.073 -9.206 38.616 1.00 0.00 C ATOM 0 H SER A 61 40.022 -6.068 37.963 1.00 0.00 H new ATOM 0 HA SER A 61 40.205 -7.395 39.754 1.00 0.00 H new ATOM 425 N THR A 62 42.614 -9.108 39.609 1.00 0.00 N ATOM 426 CA THR A 62 44.009 -9.344 39.930 1.00 0.00 C ATOM 427 C THR A 62 44.876 -9.253 38.681 1.00 0.00 C ATOM 428 O THR A 62 44.487 -8.638 37.690 1.00 0.00 O ATOM 429 CB THR A 62 44.148 -10.718 40.579 1.00 0.00 C ATOM 0 H THR A 62 42.011 -9.917 39.759 1.00 0.00 H new ATOM 0 HA THR A 62 44.350 -8.578 40.626 1.00 0.00 H new ATOM 432 N ASP A 63 46.055 -9.877 38.726 1.00 0.00 N ATOM 433 CA ASP A 63 46.977 -9.859 37.609 1.00 0.00 C ATOM 434 C ASP A 63 46.480 -10.774 36.500 1.00 0.00 C ATOM 435 O ASP A 63 45.874 -10.310 35.537 1.00 0.00 O ATOM 436 CB ASP A 63 48.360 -10.293 38.086 1.00 0.00 C ATOM 0 H ASP A 63 46.387 -10.402 39.535 1.00 0.00 H new ATOM 0 HA ASP A 63 47.041 -8.847 37.209 1.00 0.00 H new ATOM 439 N LEU A 64 46.749 -12.075 36.631 1.00 0.00 N ATOM 440 CA LEU A 64 46.340 -13.044 35.634 1.00 0.00 C ATOM 441 C LEU A 64 47.146 -12.802 34.366 1.00 0.00 C ATOM 442 O LEU A 64 46.585 -12.491 33.318 1.00 0.00 O ATOM 443 CB LEU A 64 44.844 -12.908 35.366 1.00 0.00 C ATOM 0 H LEU A 64 47.251 -12.474 37.424 1.00 0.00 H new ATOM 0 HA LEU A 64 46.526 -14.058 35.989 1.00 0.00 H new ATOM 446 N PRO A 65 48.469 -12.942 34.471 1.00 0.00 N ATOM 447 CA PRO A 65 49.364 -12.722 33.353 1.00 0.00 C ATOM 448 C PRO A 65 49.028 -13.645 32.189 1.00 0.00 C ATOM 449 O PRO A 65 48.112 -14.461 32.276 1.00 0.00 O ATOM 450 CB PRO A 65 49.278 -11.262 32.919 1.00 0.00 C ATOM 0 HA PRO A 65 50.382 -12.949 33.668 1.00 0.00 H new ATOM 452 N GLY A 66 49.782 -13.507 31.097 1.00 0.00 N ATOM 453 CA GLY A 66 49.574 -14.315 29.913 1.00 0.00 C ATOM 454 C GLY A 66 48.241 -13.958 29.272 1.00 0.00 C ATOM 455 O GLY A 66 47.419 -14.834 29.012 1.00 0.00 O ATOM 0 H GLY A 66 50.546 -12.836 31.017 1.00 0.00 H new ATOM 0 HA2 GLY A 66 50.385 -14.151 29.203 1.00 0.00 H new ATOM 0 HA3 GLY A 66 49.590 -15.373 30.176 1.00 0.00 H new ATOM 459 N GLN A 67 48.028 -12.664 29.021 1.00 0.00 N ATOM 460 CA GLN A 67 46.800 -12.189 28.415 1.00 0.00 C ATOM 461 C GLN A 67 46.820 -10.668 28.365 1.00 0.00 C ATOM 462 O GLN A 67 47.674 -10.037 28.984 1.00 0.00 O ATOM 463 CB GLN A 67 45.606 -12.691 29.222 1.00 0.00 C ATOM 0 H GLN A 67 48.701 -11.928 29.233 1.00 0.00 H new ATOM 0 HA GLN A 67 46.713 -12.570 27.398 1.00 0.00 H new ATOM 466 N THR A 68 45.882 -10.079 27.620 1.00 0.00 N ATOM 467 CA THR A 68 45.791 -8.637 27.487 1.00 0.00 C ATOM 468 C THR A 68 47.067 -8.070 26.880 1.00 0.00 C ATOM 469 O THR A 68 48.018 -8.803 26.618 1.00 0.00 O ATOM 470 CB THR A 68 45.525 -8.019 28.856 1.00 0.00 C ATOM 0 H THR A 68 45.171 -10.591 27.098 1.00 0.00 H new ATOM 0 HA THR A 68 44.967 -8.392 26.817 1.00 0.00 H new ATOM 473 N GLU A 69 47.087 -6.755 26.652 1.00 0.00 N ATOM 474 CA GLU A 69 48.251 -6.098 26.095 1.00 0.00 C ATOM 475 C GLU A 69 49.430 -6.354 27.021 1.00 0.00 C ATOM 476 O GLU A 69 50.547 -6.590 26.565 1.00 0.00 O ATOM 477 CB GLU A 69 47.978 -4.603 25.958 1.00 0.00 C ATOM 0 H GLU A 69 46.304 -6.131 26.848 1.00 0.00 H new ATOM 0 HA GLU A 69 48.479 -6.490 25.104 1.00 0.00 H new ATOM 480 N ALA A 70 49.166 -6.317 28.329 1.00 0.00 N ATOM 481 CA ALA A 70 50.183 -6.558 29.331 1.00 0.00 C ATOM 482 C ALA A 70 49.505 -6.923 30.644 1.00 0.00 C ATOM 483 O ALA A 70 49.447 -8.097 31.004 1.00 0.00 O ATOM 484 CB ALA A 70 51.050 -5.313 29.491 1.00 0.00 C ATOM 0 H ALA A 70 48.242 -6.119 28.713 1.00 0.00 H new ATOM 0 HA ALA A 70 50.827 -7.383 29.025 1.00 0.00 H new ATOM 0 HB1 ALA A 70 51.815 -5.497 30.246 1.00 0.00 H new ATOM 0 HB2 ALA A 70 51.528 -5.078 28.540 1.00 0.00 H new ATOM 0 HB3 ALA A 70 50.428 -4.474 29.802 1.00 0.00 H new ATOM 487 N LYS A 71 48.988 -5.910 31.346 1.00 0.00 N ATOM 488 CA LYS A 71 48.307 -6.100 32.613 1.00 0.00 C ATOM 489 C LYS A 71 48.065 -4.749 33.265 1.00 0.00 C ATOM 490 O LYS A 71 46.961 -4.468 33.725 1.00 0.00 O ATOM 491 CB LYS A 71 49.144 -6.989 33.529 1.00 0.00 C ATOM 0 H LYS A 71 49.034 -4.937 31.044 1.00 0.00 H new ATOM 0 HA LYS A 71 47.348 -6.589 32.439 1.00 0.00 H new ATOM 494 N ALA A 72 49.102 -3.911 33.296 1.00 0.00 N ATOM 495 CA ALA A 72 49.005 -2.588 33.878 1.00 0.00 C ATOM 496 C ALA A 72 48.695 -2.652 35.367 1.00 0.00 C ATOM 497 O ALA A 72 48.248 -3.676 35.880 1.00 0.00 O ATOM 498 CB ALA A 72 47.930 -1.792 33.143 1.00 0.00 C ATOM 0 H ALA A 72 50.023 -4.136 32.919 1.00 0.00 H new ATOM 0 HA ALA A 72 49.969 -2.091 33.769 1.00 0.00 H new ATOM 0 HB1 ALA A 72 47.854 -0.796 33.578 1.00 0.00 H new ATOM 0 HB2 ALA A 72 48.196 -1.709 32.089 1.00 0.00 H new ATOM 0 HB3 ALA A 72 46.972 -2.303 33.236 1.00 0.00 H new ATOM 501 N ALA A 73 48.930 -1.532 36.055 1.00 0.00 N ATOM 502 CA ALA A 73 48.686 -1.428 37.489 1.00 0.00 C ATOM 503 C ALA A 73 47.222 -1.556 37.918 1.00 0.00 C ATOM 504 O ALA A 73 46.888 -1.215 39.051 1.00 0.00 O ATOM 505 CB ALA A 73 49.281 -0.125 38.014 1.00 0.00 C ATOM 0 H ALA A 73 49.293 -0.677 35.633 1.00 0.00 H new ATOM 0 HA ALA A 73 49.179 -2.293 37.933 1.00 0.00 H new ATOM 0 HB1 ALA A 73 49.098 -0.047 39.086 1.00 0.00 H new ATOM 0 HB2 ALA A 73 50.355 -0.114 37.827 1.00 0.00 H new ATOM 0 HB3 ALA A 73 48.815 0.719 37.505 1.00 0.00 H new ATOM 508 N ILE A 74 46.353 -2.040 37.030 1.00 0.00 N ATOM 509 CA ILE A 74 44.958 -2.232 37.362 1.00 0.00 C ATOM 510 C ILE A 74 44.852 -3.126 38.584 1.00 0.00 C ATOM 511 O ILE A 74 44.848 -4.350 38.474 1.00 0.00 O ATOM 512 CB ILE A 74 44.213 -2.825 36.169 1.00 0.00 C ATOM 0 H ILE A 74 46.600 -2.304 36.076 1.00 0.00 H new ATOM 0 HA ILE A 74 44.497 -1.273 37.596 1.00 0.00 H new ATOM 515 N TRP A 75 44.757 -2.491 39.753 1.00 0.00 N ATOM 516 CA TRP A 75 44.646 -3.163 41.027 1.00 0.00 C ATOM 517 C TRP A 75 44.276 -2.062 42.005 1.00 0.00 C ATOM 518 O TRP A 75 43.731 -1.045 41.582 1.00 0.00 O ATOM 519 CB TRP A 75 45.978 -3.813 41.390 1.00 0.00 C ATOM 0 H TRP A 75 44.756 -1.474 39.831 1.00 0.00 H new ATOM 0 HA TRP A 75 43.906 -3.964 41.027 1.00 0.00 H new ATOM 522 N ALA A 76 44.566 -2.234 43.297 1.00 0.00 N ATOM 523 CA ALA A 76 44.270 -1.223 44.293 1.00 0.00 C ATOM 524 C ALA A 76 42.775 -1.197 44.558 1.00 0.00 C ATOM 525 O ALA A 76 42.290 -1.994 45.359 1.00 0.00 O ATOM 526 CB ALA A 76 44.788 0.142 43.846 1.00 0.00 C ATOM 0 H ALA A 76 45.009 -3.073 43.671 1.00 0.00 H new ATOM 0 HA ALA A 76 44.780 -1.470 45.224 1.00 0.00 H new ATOM 0 HB1 ALA A 76 44.556 0.887 44.607 1.00 0.00 H new ATOM 0 HB2 ALA A 76 45.868 0.093 43.704 1.00 0.00 H new ATOM 0 HB3 ALA A 76 44.311 0.422 42.907 1.00 0.00 H new ATOM 529 N ASN A 77 42.063 -0.273 43.900 1.00 0.00 N ATOM 530 CA ASN A 77 40.626 -0.140 44.066 1.00 0.00 C ATOM 531 C ASN A 77 39.933 0.285 42.780 1.00 0.00 C ATOM 532 O ASN A 77 40.198 1.368 42.258 1.00 0.00 O ATOM 533 CB ASN A 77 40.345 0.869 45.176 1.00 0.00 C ATOM 0 H ASN A 77 42.471 0.394 43.245 1.00 0.00 H new ATOM 0 HA ASN A 77 40.224 -1.117 44.333 1.00 0.00 H new ATOM 536 N MET A 78 39.052 -0.593 42.285 1.00 0.00 N ATOM 537 CA MET A 78 38.248 -0.308 41.111 1.00 0.00 C ATOM 538 C MET A 78 37.607 1.068 41.277 1.00 0.00 C ATOM 539 O MET A 78 37.098 1.642 40.318 1.00 0.00 O ATOM 540 CB MET A 78 37.182 -1.388 40.950 1.00 0.00 C ATOM 0 H MET A 78 38.884 -1.513 42.691 1.00 0.00 H new ATOM 0 HA MET A 78 38.870 -0.305 40.216 1.00 0.00 H new ATOM 543 N ASP A 79 37.650 1.592 42.507 1.00 0.00 N ATOM 544 CA ASP A 79 37.122 2.906 42.804 1.00 0.00 C ATOM 545 C ASP A 79 38.081 3.946 42.243 1.00 0.00 C ATOM 546 O ASP A 79 37.654 4.926 41.636 1.00 0.00 O ATOM 547 CB ASP A 79 36.964 3.065 44.314 1.00 0.00 C ATOM 0 H ASP A 79 38.051 1.112 43.312 1.00 0.00 H new ATOM 0 HA ASP A 79 36.141 3.039 42.347 1.00 0.00 H new ATOM 550 N ASP A 80 39.384 3.720 42.436 1.00 0.00 N ATOM 551 CA ASP A 80 40.402 4.620 41.932 1.00 0.00 C ATOM 552 C ASP A 80 40.355 4.597 40.412 1.00 0.00 C ATOM 553 O ASP A 80 40.310 5.647 39.771 1.00 0.00 O ATOM 554 CB ASP A 80 41.771 4.184 42.444 1.00 0.00 C ATOM 0 H ASP A 80 39.751 2.914 42.942 1.00 0.00 H new ATOM 0 HA ASP A 80 40.221 5.637 42.280 1.00 0.00 H new ATOM 557 N PHE A 81 40.362 3.389 39.841 1.00 0.00 N ATOM 558 CA PHE A 81 40.279 3.229 38.404 1.00 0.00 C ATOM 559 C PHE A 81 39.006 3.924 37.951 1.00 0.00 C ATOM 560 O PHE A 81 39.027 4.721 37.013 1.00 0.00 O ATOM 561 CB PHE A 81 40.250 1.744 38.053 1.00 0.00 C ATOM 0 H PHE A 81 40.425 2.513 40.360 1.00 0.00 H new ATOM 0 HA PHE A 81 41.142 3.667 37.903 1.00 0.00 H new ATOM 564 N GLY A 82 37.902 3.622 38.643 1.00 0.00 N ATOM 565 CA GLY A 82 36.618 4.232 38.369 1.00 0.00 C ATOM 566 C GLY A 82 36.780 5.742 38.341 1.00 0.00 C ATOM 567 O GLY A 82 36.185 6.411 37.497 1.00 0.00 O ATOM 0 H GLY A 82 37.885 2.946 39.407 1.00 0.00 H new ATOM 0 HA2 GLY A 82 36.230 3.878 37.414 1.00 0.00 H new ATOM 0 HA3 GLY A 82 35.895 3.946 39.133 1.00 0.00 H new ATOM 571 N ALA A 83 37.599 6.281 39.251 1.00 0.00 N ATOM 572 CA ALA A 83 37.864 7.702 39.302 1.00 0.00 C ATOM 573 C ALA A 83 38.353 8.170 37.941 1.00 0.00 C ATOM 574 O ALA A 83 37.645 8.933 37.291 1.00 0.00 O ATOM 575 CB ALA A 83 38.903 7.991 40.382 1.00 0.00 C ATOM 0 H ALA A 83 38.088 5.739 39.963 1.00 0.00 H new ATOM 0 HA ALA A 83 36.951 8.243 39.551 1.00 0.00 H new ATOM 0 HB1 ALA A 83 39.101 9.062 40.419 1.00 0.00 H new ATOM 0 HB2 ALA A 83 38.525 7.659 41.349 1.00 0.00 H new ATOM 0 HB3 ALA A 83 39.826 7.459 40.151 1.00 0.00 H new ATOM 578 N LYS A 84 39.550 7.713 37.538 1.00 0.00 N ATOM 579 CA LYS A 84 40.159 8.063 36.258 1.00 0.00 C ATOM 580 C LYS A 84 39.116 8.096 35.152 1.00 0.00 C ATOM 581 O LYS A 84 39.194 8.911 34.237 1.00 0.00 O ATOM 582 CB LYS A 84 41.256 7.055 35.930 1.00 0.00 C ATOM 0 H LYS A 84 40.122 7.085 38.102 1.00 0.00 H new ATOM 0 HA LYS A 84 40.594 9.060 36.332 1.00 0.00 H new ATOM 585 N GLY A 85 38.141 7.197 35.261 1.00 0.00 N ATOM 586 CA GLY A 85 37.038 7.165 34.324 1.00 0.00 C ATOM 587 C GLY A 85 36.392 8.541 34.375 1.00 0.00 C ATOM 588 O GLY A 85 36.505 9.316 33.427 1.00 0.00 O ATOM 0 H GLY A 85 38.099 6.485 35.990 1.00 0.00 H new ATOM 0 HA2 GLY A 85 37.390 6.938 33.318 1.00 0.00 H new ATOM 0 HA3 GLY A 85 36.321 6.389 34.594 1.00 0.00 H new ATOM 592 N LYS A 86 35.718 8.814 35.497 1.00 0.00 N ATOM 593 CA LYS A 86 35.083 10.099 35.735 1.00 0.00 C ATOM 594 C LYS A 86 35.998 11.263 35.349 1.00 0.00 C ATOM 595 O LYS A 86 35.589 12.140 34.591 1.00 0.00 O ATOM 596 CB LYS A 86 34.684 10.198 37.204 1.00 0.00 C ATOM 0 H LYS A 86 35.602 8.147 36.260 1.00 0.00 H new ATOM 0 HA LYS A 86 34.195 10.166 35.107 1.00 0.00 H new ATOM 599 N ALA A 87 37.232 11.269 35.867 1.00 0.00 N ATOM 600 CA ALA A 87 38.187 12.331 35.594 1.00 0.00 C ATOM 601 C ALA A 87 38.344 12.545 34.097 1.00 0.00 C ATOM 602 O ALA A 87 38.295 13.679 33.616 1.00 0.00 O ATOM 603 CB ALA A 87 39.529 11.976 36.230 1.00 0.00 C ATOM 0 H ALA A 87 37.588 10.538 36.483 1.00 0.00 H new ATOM 0 HA ALA A 87 37.818 13.262 36.025 1.00 0.00 H new ATOM 0 HB1 ALA A 87 40.249 12.769 36.028 1.00 0.00 H new ATOM 0 HB2 ALA A 87 39.403 11.866 37.307 1.00 0.00 H new ATOM 0 HB3 ALA A 87 39.894 11.039 35.810 1.00 0.00 H new ATOM 606 N MET A 88 38.534 11.440 33.371 1.00 0.00 N ATOM 607 CA MET A 88 38.685 11.469 31.934 1.00 0.00 C ATOM 608 C MET A 88 37.507 12.228 31.353 1.00 0.00 C ATOM 609 O MET A 88 37.692 13.139 30.550 1.00 0.00 O ATOM 610 CB MET A 88 38.736 10.042 31.396 1.00 0.00 C ATOM 0 H MET A 88 38.586 10.504 33.774 1.00 0.00 H new ATOM 0 HA MET A 88 39.612 11.967 31.651 1.00 0.00 H new ATOM 613 N HIS A 89 36.292 11.870 31.776 1.00 0.00 N ATOM 614 CA HIS A 89 35.090 12.534 31.327 1.00 0.00 C ATOM 615 C HIS A 89 35.114 14.013 31.689 1.00 0.00 C ATOM 616 O HIS A 89 34.570 14.827 30.951 1.00 0.00 O ATOM 617 CB HIS A 89 33.876 11.851 31.949 1.00 0.00 C ATOM 0 H HIS A 89 36.126 11.112 32.438 1.00 0.00 H new ATOM 0 HA HIS A 89 35.031 12.461 30.241 1.00 0.00 H new ATOM 620 N GLU A 90 35.714 14.387 32.823 1.00 0.00 N ATOM 621 CA GLU A 90 35.776 15.787 33.205 1.00 0.00 C ATOM 622 C GLU A 90 36.461 16.603 32.111 1.00 0.00 C ATOM 623 O GLU A 90 35.913 17.591 31.627 1.00 0.00 O ATOM 624 CB GLU A 90 36.530 15.919 34.525 1.00 0.00 C ATOM 0 H GLU A 90 36.156 13.744 33.480 1.00 0.00 H new ATOM 0 HA GLU A 90 34.765 16.172 33.333 1.00 0.00 H new ATOM 627 N ALA A 91 37.666 16.174 31.729 1.00 0.00 N ATOM 628 CA ALA A 91 38.426 16.868 30.694 1.00 0.00 C ATOM 629 C ALA A 91 37.800 16.637 29.316 1.00 0.00 C ATOM 630 O ALA A 91 37.802 17.518 28.461 1.00 0.00 O ATOM 631 CB ALA A 91 39.872 16.384 30.724 1.00 0.00 C ATOM 0 H ALA A 91 38.132 15.355 32.119 1.00 0.00 H new ATOM 0 HA ALA A 91 38.405 17.940 30.889 1.00 0.00 H new ATOM 0 HB1 ALA A 91 40.444 16.899 29.953 1.00 0.00 H new ATOM 0 HB2 ALA A 91 40.307 16.596 31.701 1.00 0.00 H new ATOM 0 HB3 ALA A 91 39.900 15.310 30.540 1.00 0.00 H new ATOM 634 N GLY A 92 37.268 15.431 29.137 1.00 0.00 N ATOM 635 CA GLY A 92 36.635 15.043 27.888 1.00 0.00 C ATOM 636 C GLY A 92 35.471 15.976 27.555 1.00 0.00 C ATOM 637 O GLY A 92 35.481 16.668 26.538 1.00 0.00 O ATOM 0 H GLY A 92 37.265 14.702 29.851 1.00 0.00 H new ATOM 0 HA2 GLY A 92 37.368 15.067 27.081 1.00 0.00 H new ATOM 0 HA3 GLY A 92 36.275 14.017 27.961 1.00 0.00 H new ATOM 641 N GLY A 93 34.470 15.989 28.436 1.00 0.00 N ATOM 642 CA GLY A 93 33.276 16.791 28.265 1.00 0.00 C ATOM 643 C GLY A 93 33.585 18.280 28.332 1.00 0.00 C ATOM 644 O GLY A 93 32.993 19.061 27.591 1.00 0.00 O ATOM 0 H GLY A 93 34.473 15.436 29.293 1.00 0.00 H new ATOM 0 HA2 GLY A 93 32.815 16.558 27.305 1.00 0.00 H new ATOM 0 HA3 GLY A 93 32.551 16.534 29.038 1.00 0.00 H new ATOM 648 N ALA A 94 34.506 18.686 29.210 1.00 0.00 N ATOM 649 CA ALA A 94 34.865 20.081 29.346 1.00 0.00 C ATOM 650 C ALA A 94 35.637 20.518 28.111 1.00 0.00 C ATOM 651 O ALA A 94 35.573 21.680 27.715 1.00 0.00 O ATOM 652 CB ALA A 94 35.707 20.269 30.604 1.00 0.00 C ATOM 0 H ALA A 94 35.012 18.058 29.835 1.00 0.00 H new ATOM 0 HA ALA A 94 33.968 20.693 29.436 1.00 0.00 H new ATOM 0 HB1 ALA A 94 35.978 21.320 30.707 1.00 0.00 H new ATOM 0 HB2 ALA A 94 35.133 19.955 31.476 1.00 0.00 H new ATOM 0 HB3 ALA A 94 36.612 19.667 30.529 1.00 0.00 H new ATOM 655 N VAL A 95 36.359 19.580 27.493 1.00 0.00 N ATOM 656 CA VAL A 95 37.125 19.867 26.300 1.00 0.00 C ATOM 657 C VAL A 95 36.154 20.206 25.185 1.00 0.00 C ATOM 658 O VAL A 95 36.359 21.174 24.456 1.00 0.00 O ATOM 659 CB VAL A 95 37.977 18.659 25.922 1.00 0.00 C ATOM 0 H VAL A 95 36.423 18.612 27.810 1.00 0.00 H new ATOM 0 HA VAL A 95 37.796 20.708 26.473 1.00 0.00 H new ATOM 662 N ILE A 96 35.085 19.416 25.058 1.00 0.00 N ATOM 663 CA ILE A 96 34.083 19.652 24.041 1.00 0.00 C ATOM 664 C ILE A 96 33.402 20.988 24.299 1.00 0.00 C ATOM 665 O ILE A 96 33.022 21.685 23.361 1.00 0.00 O ATOM 666 CB ILE A 96 33.065 18.515 24.065 1.00 0.00 C ATOM 0 H ILE A 96 34.900 18.608 25.653 1.00 0.00 H new ATOM 0 HA ILE A 96 34.551 19.685 23.057 1.00 0.00 H new ATOM 669 N ALA A 97 33.255 21.348 25.577 1.00 0.00 N ATOM 670 CA ALA A 97 32.630 22.601 25.949 1.00 0.00 C ATOM 671 C ALA A 97 33.441 23.746 25.361 1.00 0.00 C ATOM 672 O ALA A 97 32.880 24.688 24.806 1.00 0.00 O ATOM 673 CB ALA A 97 32.565 22.704 27.470 1.00 0.00 C ATOM 0 H ALA A 97 33.564 20.781 26.367 1.00 0.00 H new ATOM 0 HA ALA A 97 31.613 22.650 25.559 1.00 0.00 H new ATOM 0 HB1 ALA A 97 32.095 23.646 27.751 1.00 0.00 H new ATOM 0 HB2 ALA A 97 31.980 21.874 27.866 1.00 0.00 H new ATOM 0 HB3 ALA A 97 33.574 22.665 27.881 1.00 0.00 H new ATOM 676 N ALA A 98 34.767 23.653 25.477 1.00 0.00 N ATOM 677 CA ALA A 98 35.659 24.667 24.951 1.00 0.00 C ATOM 678 C ALA A 98 35.569 24.676 23.433 1.00 0.00 C ATOM 679 O ALA A 98 35.634 25.733 22.809 1.00 0.00 O ATOM 680 CB ALA A 98 37.084 24.367 25.405 1.00 0.00 C ATOM 0 H ALA A 98 35.242 22.876 25.936 1.00 0.00 H new ATOM 0 HA ALA A 98 35.372 25.650 25.324 1.00 0.00 H new ATOM 0 HB1 ALA A 98 37.759 25.127 25.012 1.00 0.00 H new ATOM 0 HB2 ALA A 98 37.127 24.372 26.494 1.00 0.00 H new ATOM 0 HB3 ALA A 98 37.385 23.387 25.034 1.00 0.00 H new ATOM 683 N ALA A 99 35.408 23.490 22.840 1.00 0.00 N ATOM 684 CA ALA A 99 35.300 23.365 21.401 1.00 0.00 C ATOM 685 C ALA A 99 34.114 24.190 20.923 1.00 0.00 C ATOM 686 O ALA A 99 34.252 25.026 20.033 1.00 0.00 O ATOM 687 CB ALA A 99 35.125 21.895 21.030 1.00 0.00 C ATOM 0 H ALA A 99 35.351 22.605 23.344 1.00 0.00 H new ATOM 0 HA ALA A 99 36.205 23.735 20.919 1.00 0.00 H new ATOM 0 HB1 ALA A 99 35.044 21.800 19.947 1.00 0.00 H new ATOM 0 HB2 ALA A 99 35.986 21.326 21.380 1.00 0.00 H new ATOM 0 HB3 ALA A 99 34.220 21.507 21.497 1.00 0.00 H new ATOM 690 N ASN A 100 32.947 23.954 21.527 1.00 0.00 N ATOM 691 CA ASN A 100 31.743 24.679 21.175 1.00 0.00 C ATOM 692 C ASN A 100 31.994 26.172 21.332 1.00 0.00 C ATOM 693 O ASN A 100 31.712 26.951 20.424 1.00 0.00 O ATOM 694 CB ASN A 100 30.596 24.224 22.072 1.00 0.00 C ATOM 0 H ASN A 100 32.819 23.261 22.265 1.00 0.00 H new ATOM 0 HA ASN A 100 31.472 24.477 20.139 1.00 0.00 H new ATOM 697 N ALA A 101 32.534 26.567 22.487 1.00 0.00 N ATOM 698 CA ALA A 101 32.830 27.959 22.762 1.00 0.00 C ATOM 699 C ALA A 101 33.811 28.506 21.731 1.00 0.00 C ATOM 700 O ALA A 101 33.975 29.719 21.617 1.00 0.00 O ATOM 701 CB ALA A 101 33.403 28.084 24.170 1.00 0.00 C ATOM 0 H ALA A 101 32.774 25.930 23.247 1.00 0.00 H new ATOM 0 HA ALA A 101 31.913 28.544 22.698 1.00 0.00 H new ATOM 0 HB1 ALA A 101 33.627 29.130 24.380 1.00 0.00 H new ATOM 0 HB2 ALA A 101 32.675 27.716 24.893 1.00 0.00 H new ATOM 0 HB3 ALA A 101 34.317 27.495 24.244 1.00 0.00 H new ATOM 704 N GLY A 102 34.461 27.614 20.978 1.00 0.00 N ATOM 705 CA GLY A 102 35.417 28.015 19.964 1.00 0.00 C ATOM 706 C GLY A 102 36.746 28.397 20.601 1.00 0.00 C ATOM 707 O GLY A 102 37.538 29.109 19.989 1.00 0.00 O ATOM 0 H GLY A 102 34.335 26.605 21.059 1.00 0.00 H new ATOM 0 HA2 GLY A 102 35.568 27.200 19.256 1.00 0.00 H new ATOM 0 HA3 GLY A 102 35.023 28.859 19.398 1.00 0.00 H new ATOM 711 N ASP A 103 36.981 27.920 21.828 1.00 0.00 N ATOM 712 CA ASP A 103 38.205 28.196 22.559 1.00 0.00 C ATOM 713 C ASP A 103 39.255 27.155 22.195 1.00 0.00 C ATOM 714 O ASP A 103 39.359 26.124 22.854 1.00 0.00 O ATOM 715 CB ASP A 103 37.911 28.155 24.055 1.00 0.00 C ATOM 0 H ASP A 103 36.321 27.331 22.336 1.00 0.00 H new ATOM 0 HA ASP A 103 38.585 29.184 22.297 1.00 0.00 H new ATOM 718 N GLY A 104 40.036 27.428 21.148 1.00 0.00 N ATOM 719 CA GLY A 104 41.067 26.513 20.697 1.00 0.00 C ATOM 720 C GLY A 104 42.092 26.253 21.793 1.00 0.00 C ATOM 721 O GLY A 104 42.674 25.169 21.855 1.00 0.00 O ATOM 0 H GLY A 104 39.967 28.284 20.598 1.00 0.00 H new ATOM 0 HA2 GLY A 104 40.612 25.571 20.390 1.00 0.00 H new ATOM 0 HA3 GLY A 104 41.565 26.926 19.820 1.00 0.00 H new ATOM 725 N ALA A 105 42.301 27.239 22.671 1.00 0.00 N ATOM 726 CA ALA A 105 43.253 27.126 23.758 1.00 0.00 C ATOM 727 C ALA A 105 42.596 26.337 24.880 1.00 0.00 C ATOM 728 O ALA A 105 43.267 25.644 25.641 1.00 0.00 O ATOM 729 CB ALA A 105 43.649 28.520 24.235 1.00 0.00 C ATOM 0 H ALA A 105 41.811 28.133 22.640 1.00 0.00 H new ATOM 0 HA ALA A 105 44.156 26.611 23.431 1.00 0.00 H new ATOM 0 HB1 ALA A 105 44.365 28.435 25.053 1.00 0.00 H new ATOM 0 HB2 ALA A 105 44.103 29.071 23.411 1.00 0.00 H new ATOM 0 HB3 ALA A 105 42.763 29.051 24.583 1.00 0.00 H new ATOM 732 N ALA A 106 41.267 26.445 24.963 1.00 0.00 N ATOM 733 CA ALA A 106 40.503 25.748 25.973 1.00 0.00 C ATOM 734 C ALA A 106 40.390 24.294 25.550 1.00 0.00 C ATOM 735 O ALA A 106 40.307 23.403 26.392 1.00 0.00 O ATOM 736 CB ALA A 106 39.127 26.393 26.109 1.00 0.00 C ATOM 0 H ALA A 106 40.704 27.016 24.332 1.00 0.00 H new ATOM 0 HA ALA A 106 40.993 25.806 26.945 1.00 0.00 H new ATOM 0 HB1 ALA A 106 38.552 25.866 26.871 1.00 0.00 H new ATOM 0 HB2 ALA A 106 39.242 27.438 26.398 1.00 0.00 H new ATOM 0 HB3 ALA A 106 38.603 26.336 25.155 1.00 0.00 H new ATOM 739 N PHE A 107 40.402 24.055 24.236 1.00 0.00 N ATOM 740 CA PHE A 107 40.323 22.716 23.694 1.00 0.00 C ATOM 741 C PHE A 107 41.599 21.966 24.037 1.00 0.00 C ATOM 742 O PHE A 107 41.557 20.975 24.757 1.00 0.00 O ATOM 743 CB PHE A 107 40.123 22.788 22.183 1.00 0.00 C ATOM 0 H PHE A 107 40.467 24.788 23.529 1.00 0.00 H new ATOM 0 HA PHE A 107 39.476 22.184 24.127 1.00 0.00 H new ATOM 746 N GLY A 108 42.740 22.426 23.519 1.00 0.00 N ATOM 747 CA GLY A 108 44.009 21.779 23.799 1.00 0.00 C ATOM 748 C GLY A 108 44.299 21.741 25.296 1.00 0.00 C ATOM 749 O GLY A 108 44.936 20.810 25.784 1.00 0.00 O ATOM 0 H GLY A 108 42.804 23.240 22.908 1.00 0.00 H new ATOM 0 HA2 GLY A 108 43.996 20.763 23.404 1.00 0.00 H new ATOM 0 HA3 GLY A 108 44.810 22.310 23.285 1.00 0.00 H new ATOM 753 N ALA A 109 43.810 22.743 26.030 1.00 0.00 N ATOM 754 CA ALA A 109 44.052 22.832 27.459 1.00 0.00 C ATOM 755 C ALA A 109 43.220 21.807 28.219 1.00 0.00 C ATOM 756 O ALA A 109 43.760 20.964 28.932 1.00 0.00 O ATOM 757 CB ALA A 109 43.731 24.246 27.937 1.00 0.00 C ATOM 0 H ALA A 109 43.244 23.502 25.651 1.00 0.00 H new ATOM 0 HA ALA A 109 45.102 22.614 27.655 1.00 0.00 H new ATOM 0 HB1 ALA A 109 43.911 24.317 29.010 1.00 0.00 H new ATOM 0 HB2 ALA A 109 44.367 24.960 27.414 1.00 0.00 H new ATOM 0 HB3 ALA A 109 42.685 24.472 27.729 1.00 0.00 H new ATOM 760 N ALA A 110 41.898 21.885 28.061 1.00 0.00 N ATOM 761 CA ALA A 110 40.995 20.977 28.740 1.00 0.00 C ATOM 762 C ALA A 110 41.249 19.554 28.262 1.00 0.00 C ATOM 763 O ALA A 110 41.387 18.634 29.068 1.00 0.00 O ATOM 764 CB ALA A 110 39.554 21.394 28.465 1.00 0.00 C ATOM 0 H ALA A 110 41.435 22.572 27.466 1.00 0.00 H new ATOM 0 HA ALA A 110 41.168 21.016 29.815 1.00 0.00 H new ATOM 0 HB1 ALA A 110 38.874 20.712 28.975 1.00 0.00 H new ATOM 0 HB2 ALA A 110 39.393 22.408 28.831 1.00 0.00 H new ATOM 0 HB3 ALA A 110 39.364 21.361 27.392 1.00 0.00 H new ATOM 767 N LEU A 111 41.321 19.378 26.942 1.00 0.00 N ATOM 768 CA LEU A 111 41.553 18.083 26.342 1.00 0.00 C ATOM 769 C LEU A 111 42.935 17.566 26.705 1.00 0.00 C ATOM 770 O LEU A 111 43.147 16.355 26.723 1.00 0.00 O ATOM 771 CB LEU A 111 41.398 18.186 24.828 1.00 0.00 C ATOM 0 H LEU A 111 41.219 20.136 26.267 1.00 0.00 H new ATOM 0 HA LEU A 111 40.818 17.376 26.727 1.00 0.00 H new ATOM 774 N GLN A 112 43.884 18.459 27.005 1.00 0.00 N ATOM 775 CA GLN A 112 45.222 18.057 27.382 1.00 0.00 C ATOM 776 C GLN A 112 45.149 17.459 28.775 1.00 0.00 C ATOM 777 O GLN A 112 45.858 16.504 29.079 1.00 0.00 O ATOM 778 CB GLN A 112 46.147 19.270 27.357 1.00 0.00 C ATOM 0 H GLN A 112 43.738 19.468 26.991 1.00 0.00 H new ATOM 0 HA GLN A 112 45.620 17.319 26.685 1.00 0.00 H new ATOM 781 N LYS A 113 44.276 18.014 29.620 1.00 0.00 N ATOM 782 CA LYS A 113 44.089 17.499 30.959 1.00 0.00 C ATOM 783 C LYS A 113 43.594 16.069 30.814 1.00 0.00 C ATOM 784 O LYS A 113 44.065 15.164 31.501 1.00 0.00 O ATOM 785 CB LYS A 113 43.071 18.359 31.702 1.00 0.00 C ATOM 0 H LYS A 113 43.693 18.819 29.391 1.00 0.00 H new ATOM 0 HA LYS A 113 45.016 17.522 31.532 1.00 0.00 H new ATOM 788 N LEU A 114 42.653 15.872 29.887 1.00 0.00 N ATOM 789 CA LEU A 114 42.113 14.556 29.613 1.00 0.00 C ATOM 790 C LEU A 114 43.238 13.685 29.070 1.00 0.00 C ATOM 791 O LEU A 114 43.245 12.472 29.268 1.00 0.00 O ATOM 792 CB LEU A 114 40.992 14.674 28.584 1.00 0.00 C ATOM 0 H LEU A 114 42.254 16.617 29.316 1.00 0.00 H new ATOM 0 HA LEU A 114 41.706 14.110 30.521 1.00 0.00 H new ATOM 795 N GLY A 115 44.198 14.323 28.394 1.00 0.00 N ATOM 796 CA GLY A 115 45.322 13.624 27.804 1.00 0.00 C ATOM 797 C GLY A 115 46.261 13.089 28.876 1.00 0.00 C ATOM 798 O GLY A 115 46.559 11.898 28.898 1.00 0.00 O ATOM 0 H GLY A 115 44.210 15.332 28.246 1.00 0.00 H new ATOM 0 HA2 GLY A 115 44.959 12.800 27.190 1.00 0.00 H new ATOM 0 HA3 GLY A 115 45.867 14.298 27.143 1.00 0.00 H new ATOM 802 N GLY A 116 46.728 13.968 29.766 1.00 0.00 N ATOM 803 CA GLY A 116 47.642 13.587 30.822 1.00 0.00 C ATOM 804 C GLY A 116 46.953 12.666 31.816 1.00 0.00 C ATOM 805 O GLY A 116 47.618 11.947 32.557 1.00 0.00 O ATOM 0 H GLY A 116 46.479 14.957 29.767 1.00 0.00 H new ATOM 0 HA2 GLY A 116 48.511 13.086 30.396 1.00 0.00 H new ATOM 0 HA3 GLY A 116 48.006 14.477 31.334 1.00 0.00 H new ATOM 809 N THR A 117 45.619 12.674 31.826 1.00 0.00 N ATOM 810 CA THR A 117 44.867 11.829 32.729 1.00 0.00 C ATOM 811 C THR A 117 44.986 10.387 32.256 1.00 0.00 C ATOM 812 O THR A 117 45.569 9.549 32.941 1.00 0.00 O ATOM 813 CB THR A 117 43.408 12.276 32.754 1.00 0.00 C ATOM 0 H THR A 117 45.046 13.258 31.217 1.00 0.00 H new ATOM 0 HA THR A 117 45.262 11.907 33.742 1.00 0.00 H new ATOM 816 N CYS A 118 44.439 10.106 31.071 1.00 0.00 N ATOM 817 CA CYS A 118 44.486 8.775 30.503 1.00 0.00 C ATOM 818 C CYS A 118 45.932 8.360 30.271 1.00 0.00 C ATOM 819 O CYS A 118 46.334 7.267 30.665 1.00 0.00 O ATOM 820 CB CYS A 118 43.702 8.755 29.194 1.00 0.00 C ATOM 0 H CYS A 118 43.958 10.793 30.491 1.00 0.00 H new ATOM 0 HA CYS A 118 44.034 8.065 31.195 1.00 0.00 H new ATOM 823 N LYS A 119 46.714 9.235 29.633 1.00 0.00 N ATOM 824 CA LYS A 119 48.106 8.954 29.340 1.00 0.00 C ATOM 825 C LYS A 119 48.865 8.554 30.598 1.00 0.00 C ATOM 826 O LYS A 119 49.286 7.407 30.717 1.00 0.00 O ATOM 827 CB LYS A 119 48.750 10.177 28.694 1.00 0.00 C ATOM 0 H LYS A 119 46.395 10.149 29.311 1.00 0.00 H new ATOM 0 HA LYS A 119 48.151 8.114 28.647 1.00 0.00 H new ATOM 830 N ALA A 120 49.049 9.499 31.524 1.00 0.00 N ATOM 831 CA ALA A 120 49.780 9.244 32.754 1.00 0.00 C ATOM 832 C ALA A 120 49.241 8.017 33.478 1.00 0.00 C ATOM 833 O ALA A 120 49.991 7.327 34.166 1.00 0.00 O ATOM 834 CB ALA A 120 49.711 10.472 33.657 1.00 0.00 C ATOM 0 H ALA A 120 48.696 10.452 31.438 1.00 0.00 H new ATOM 0 HA ALA A 120 50.820 9.042 32.499 1.00 0.00 H new ATOM 0 HB1 ALA A 120 50.260 10.277 34.578 1.00 0.00 H new ATOM 0 HB2 ALA A 120 50.154 11.326 33.144 1.00 0.00 H new ATOM 0 HB3 ALA A 120 48.670 10.691 33.894 1.00 0.00 H new ATOM 837 N CYS A 121 47.947 7.732 33.315 1.00 0.00 N ATOM 838 CA CYS A 121 47.335 6.590 33.963 1.00 0.00 C ATOM 839 C CYS A 121 47.979 5.306 33.457 1.00 0.00 C ATOM 840 O CYS A 121 48.371 4.451 34.248 1.00 0.00 O ATOM 841 CB CYS A 121 45.836 6.591 33.680 1.00 0.00 C ATOM 0 H CYS A 121 47.310 8.282 32.738 1.00 0.00 H new ATOM 0 HA CYS A 121 47.488 6.650 35.040 1.00 0.00 H new ATOM 844 N HIS A 122 48.091 5.177 32.133 1.00 0.00 N ATOM 845 CA HIS A 122 48.678 4.001 31.523 1.00 0.00 C ATOM 846 C HIS A 122 50.191 4.013 31.695 1.00 0.00 C ATOM 847 O HIS A 122 50.783 2.976 31.984 1.00 0.00 O ATOM 848 CB HIS A 122 48.305 3.962 30.043 1.00 0.00 C ATOM 0 H HIS A 122 47.778 5.883 31.466 1.00 0.00 H new ATOM 0 HA HIS A 122 48.291 3.108 32.013 1.00 0.00 H new ATOM 851 N ASP A 123 50.801 5.189 31.511 1.00 0.00 N ATOM 852 CA ASP A 123 52.237 5.369 31.629 1.00 0.00 C ATOM 853 C ASP A 123 52.780 4.713 32.889 1.00 0.00 C ATOM 854 O ASP A 123 53.748 3.957 32.822 1.00 0.00 O ATOM 855 CB ASP A 123 52.557 6.861 31.623 1.00 0.00 C ATOM 0 H ASP A 123 50.300 6.045 31.274 1.00 0.00 H new ATOM 0 HA ASP A 123 52.720 4.886 30.779 1.00 0.00 H new ATOM 858 N ASP A 124 52.160 4.987 34.039 1.00 0.00 N ATOM 859 CA ASP A 124 52.590 4.403 35.291 1.00 0.00 C ATOM 860 C ASP A 124 52.154 2.945 35.328 1.00 0.00 C ATOM 861 O ASP A 124 52.970 2.058 35.570 1.00 0.00 O ATOM 862 CB ASP A 124 51.982 5.183 36.453 1.00 0.00 C ATOM 0 H ASP A 124 51.358 5.612 34.119 1.00 0.00 H new ATOM 0 HA ASP A 124 53.675 4.451 35.379 1.00 0.00 H new ATOM 865 N TYR A 125 50.864 2.706 35.075 1.00 0.00 N ATOM 866 CA TYR A 125 50.310 1.366 35.072 1.00 0.00 C ATOM 867 C TYR A 125 50.626 0.674 33.752 1.00 0.00 C ATOM 868 O TYR A 125 49.722 0.377 32.974 1.00 0.00 O ATOM 869 CB TYR A 125 48.802 1.445 35.291 1.00 0.00 C ATOM 0 H TYR A 125 50.184 3.438 34.868 1.00 0.00 H new ATOM 0 HA TYR A 125 50.756 0.783 35.878 1.00 0.00 H new ATOM 872 N ARG A 126 51.912 0.414 33.504 1.00 0.00 N ATOM 873 CA ARG A 126 52.340 -0.243 32.285 1.00 0.00 C ATOM 874 C ARG A 126 53.852 -0.409 32.294 1.00 0.00 C ATOM 875 O ARG A 126 54.514 -0.048 33.265 1.00 0.00 O ATOM 876 CB ARG A 126 51.899 0.579 31.078 1.00 0.00 C ATOM 0 H ARG A 126 52.672 0.653 34.140 1.00 0.00 H new ATOM 0 HA ARG A 126 51.882 -1.230 32.223 1.00 0.00 H new ATOM 879 N GLU A 127 54.399 -0.955 31.204 1.00 0.00 N ATOM 880 CA GLU A 127 55.828 -1.169 31.091 1.00 0.00 C ATOM 881 C GLU A 127 56.313 -2.019 32.256 1.00 0.00 C ATOM 882 O GLU A 127 55.509 -2.621 32.964 1.00 0.00 O ATOM 883 CB GLU A 127 56.544 0.178 31.067 1.00 0.00 C ATOM 0 H GLU A 127 53.864 -1.255 30.389 1.00 0.00 H new ATOM 0 HA GLU A 127 56.050 -1.697 30.164 1.00 0.00 H new ATOM 886 N GLU A 128 57.633 -2.063 32.456 1.00 0.00 N ATOM 887 CA GLU A 128 58.222 -2.834 33.533 1.00 0.00 C ATOM 888 C GLU A 128 59.638 -2.346 33.801 1.00 0.00 C ATOM 889 O GLU A 128 59.940 -1.885 34.899 1.00 0.00 O ATOM 890 CB GLU A 128 58.219 -4.313 33.159 1.00 0.00 C ATOM 0 H GLU A 128 58.311 -1.567 31.877 1.00 0.00 H new ATOM 0 HA GLU A 128 57.637 -2.703 34.443 1.00 0.00 H new ATOM 893 N ASP A 129 60.509 -2.449 32.794 1.00 0.00 N ATOM 894 CA ASP A 129 61.886 -2.020 32.927 1.00 0.00 C ATOM 895 C ASP A 129 61.953 -0.499 32.947 1.00 0.00 C ATOM 896 O ASP A 129 62.957 0.017 33.484 1.00 0.00 O ATOM 897 CB ASP A 129 62.708 -2.583 31.771 1.00 0.00 C ATOM 0 H ASP A 129 60.274 -2.829 31.877 1.00 0.00 H new ATOM 0 HA ASP A 129 62.298 -2.394 33.864 1.00 0.00 H new TER 900 ASP A 129 HETATM 901 FE HEM A 130 43.322 4.157 28.548 1.00 0.00 FE