USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=0 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 31.356 -14.797 27.523 1.00 0.00 N ATOM 2 CA ALA A 1 31.295 -15.981 26.690 1.00 0.00 C ATOM 3 C ALA A 1 32.022 -15.712 25.380 1.00 0.00 C ATOM 4 O ALA A 1 31.422 -15.783 24.310 1.00 0.00 O ATOM 5 CB ALA A 1 31.931 -17.153 27.433 1.00 0.00 C ATOM 0 H1 ALA A 1 30.860 -14.977 28.419 1.00 0.00 H new ATOM 0 H2 ALA A 1 32.350 -14.561 27.719 1.00 0.00 H new ATOM 0 H3 ALA A 1 30.902 -14.002 27.030 1.00 0.00 H new ATOM 0 HA ALA A 1 30.258 -16.231 26.467 1.00 0.00 H new ATOM 0 HB1 ALA A 1 31.887 -18.046 26.810 1.00 0.00 H new ATOM 0 HB2 ALA A 1 32.971 -16.919 27.659 1.00 0.00 H new ATOM 0 HB3 ALA A 1 31.389 -17.332 28.362 1.00 0.00 H new ATOM 7 N ASP A 2 33.317 -15.401 25.467 1.00 0.00 N ATOM 8 CA ASP A 2 34.118 -15.123 24.292 1.00 0.00 C ATOM 9 C ASP A 2 35.596 -15.184 24.649 1.00 0.00 C ATOM 10 O ASP A 2 35.949 -15.401 25.806 1.00 0.00 O ATOM 11 CB ASP A 2 33.751 -13.748 23.741 1.00 0.00 C ATOM 0 H ASP A 2 33.828 -15.337 26.348 1.00 0.00 H new ATOM 0 HA ASP A 2 33.919 -15.872 23.526 1.00 0.00 H new ATOM 14 N THR A 3 36.461 -14.994 23.650 1.00 0.00 N ATOM 15 CA THR A 3 37.894 -15.028 23.859 1.00 0.00 C ATOM 16 C THR A 3 38.326 -13.827 24.688 1.00 0.00 C ATOM 17 O THR A 3 38.925 -13.986 25.749 1.00 0.00 O ATOM 18 CB THR A 3 38.605 -15.037 22.509 1.00 0.00 C ATOM 0 H THR A 3 36.183 -14.814 22.685 1.00 0.00 H new ATOM 0 HA THR A 3 38.163 -15.934 24.403 1.00 0.00 H new ATOM 21 N LYS A 4 38.019 -12.623 24.199 1.00 0.00 N ATOM 22 CA LYS A 4 38.374 -11.400 24.891 1.00 0.00 C ATOM 23 C LYS A 4 37.530 -10.249 24.363 1.00 0.00 C ATOM 24 O LYS A 4 38.063 -9.281 23.825 1.00 0.00 O ATOM 25 CB LYS A 4 39.861 -11.117 24.692 1.00 0.00 C ATOM 0 H LYS A 4 37.522 -12.478 23.320 1.00 0.00 H new ATOM 0 HA LYS A 4 38.179 -11.509 25.958 1.00 0.00 H new ATOM 28 N GLU A 5 36.209 -10.357 24.519 1.00 0.00 N ATOM 29 CA GLU A 5 35.294 -9.332 24.059 1.00 0.00 C ATOM 30 C GLU A 5 35.357 -8.128 24.988 1.00 0.00 C ATOM 31 O GLU A 5 35.334 -6.987 24.531 1.00 0.00 O ATOM 32 CB GLU A 5 33.880 -9.903 24.014 1.00 0.00 C ATOM 0 H GLU A 5 35.755 -11.154 24.965 1.00 0.00 H new ATOM 0 HA GLU A 5 35.577 -9.008 23.058 1.00 0.00 H new ATOM 35 N VAL A 6 35.444 -8.385 26.295 1.00 0.00 N ATOM 36 CA VAL A 6 35.502 -7.328 27.285 1.00 0.00 C ATOM 37 C VAL A 6 36.778 -6.515 27.125 1.00 0.00 C ATOM 38 O VAL A 6 36.737 -5.287 27.168 1.00 0.00 O ATOM 39 CB VAL A 6 35.420 -7.937 28.682 1.00 0.00 C ATOM 0 H VAL A 6 35.475 -9.326 26.686 1.00 0.00 H new ATOM 0 HA VAL A 6 34.657 -6.654 27.141 1.00 0.00 H new ATOM 42 N LEU A 7 37.913 -7.191 26.936 1.00 0.00 N ATOM 43 CA LEU A 7 39.184 -6.512 26.773 1.00 0.00 C ATOM 44 C LEU A 7 39.223 -5.833 25.414 1.00 0.00 C ATOM 45 O LEU A 7 39.508 -4.644 25.333 1.00 0.00 O ATOM 46 CB LEU A 7 40.323 -7.517 26.916 1.00 0.00 C ATOM 0 H LEU A 7 37.970 -8.209 26.893 1.00 0.00 H new ATOM 0 HA LEU A 7 39.301 -5.750 27.544 1.00 0.00 H new ATOM 49 N GLU A 8 38.949 -6.599 24.355 1.00 0.00 N ATOM 50 CA GLU A 8 38.935 -6.074 23.001 1.00 0.00 C ATOM 51 C GLU A 8 38.046 -4.839 22.916 1.00 0.00 C ATOM 52 O GLU A 8 38.427 -3.838 22.313 1.00 0.00 O ATOM 53 CB GLU A 8 38.451 -7.156 22.040 1.00 0.00 C ATOM 0 H GLU A 8 38.733 -7.594 24.418 1.00 0.00 H new ATOM 0 HA GLU A 8 39.946 -5.779 22.721 1.00 0.00 H new ATOM 56 N ALA A 9 36.863 -4.900 23.529 1.00 0.00 N ATOM 57 CA ALA A 9 35.953 -3.776 23.530 1.00 0.00 C ATOM 58 C ALA A 9 36.661 -2.640 24.239 1.00 0.00 C ATOM 59 O ALA A 9 36.624 -1.498 23.787 1.00 0.00 O ATOM 60 CB ALA A 9 34.659 -4.156 24.243 1.00 0.00 C ATOM 0 H ALA A 9 36.521 -5.721 24.029 1.00 0.00 H new ATOM 0 HA ALA A 9 35.684 -3.477 22.517 1.00 0.00 H new ATOM 0 HB1 ALA A 9 33.978 -3.305 24.240 1.00 0.00 H new ATOM 0 HB2 ALA A 9 34.192 -4.995 23.727 1.00 0.00 H new ATOM 0 HB3 ALA A 9 34.880 -4.440 25.272 1.00 0.00 H new ATOM 63 N ARG A 10 37.328 -2.966 25.348 1.00 0.00 N ATOM 64 CA ARG A 10 38.085 -1.988 26.095 1.00 0.00 C ATOM 65 C ARG A 10 39.162 -1.418 25.186 1.00 0.00 C ATOM 66 O ARG A 10 39.579 -0.275 25.363 1.00 0.00 O ATOM 67 CB ARG A 10 38.703 -2.653 27.322 1.00 0.00 C ATOM 0 H ARG A 10 37.352 -3.907 25.741 1.00 0.00 H new ATOM 0 HA ARG A 10 37.439 -1.179 26.436 1.00 0.00 H new ATOM 70 N GLU A 11 39.607 -2.205 24.199 1.00 0.00 N ATOM 71 CA GLU A 11 40.618 -1.742 23.273 1.00 0.00 C ATOM 72 C GLU A 11 39.997 -0.617 22.465 1.00 0.00 C ATOM 73 O GLU A 11 40.647 0.384 22.169 1.00 0.00 O ATOM 74 CB GLU A 11 41.060 -2.891 22.372 1.00 0.00 C ATOM 0 H GLU A 11 39.279 -3.156 24.031 1.00 0.00 H new ATOM 0 HA GLU A 11 41.504 -1.382 23.796 1.00 0.00 H new ATOM 77 N ALA A 12 38.718 -0.790 22.129 1.00 0.00 N ATOM 78 CA ALA A 12 37.972 0.198 21.374 1.00 0.00 C ATOM 79 C ALA A 12 37.742 1.410 22.263 1.00 0.00 C ATOM 80 O ALA A 12 37.921 2.547 21.832 1.00 0.00 O ATOM 81 CB ALA A 12 36.640 -0.405 20.936 1.00 0.00 C ATOM 0 H ALA A 12 38.178 -1.619 22.375 1.00 0.00 H new ATOM 0 HA ALA A 12 38.525 0.501 20.485 1.00 0.00 H new ATOM 0 HB1 ALA A 12 36.075 0.334 20.368 1.00 0.00 H new ATOM 0 HB2 ALA A 12 36.824 -1.279 20.312 1.00 0.00 H new ATOM 0 HB3 ALA A 12 36.068 -0.701 21.815 1.00 0.00 H new ATOM 84 N TYR A 13 37.351 1.157 23.515 1.00 0.00 N ATOM 85 CA TYR A 13 37.107 2.214 24.474 1.00 0.00 C ATOM 86 C TYR A 13 38.388 3.008 24.682 1.00 0.00 C ATOM 87 O TYR A 13 38.341 4.184 25.041 1.00 0.00 O ATOM 88 CB TYR A 13 36.628 1.605 25.789 1.00 0.00 C ATOM 0 H TYR A 13 37.198 0.217 23.881 1.00 0.00 H new ATOM 0 HA TYR A 13 36.335 2.887 24.102 1.00 0.00 H new ATOM 91 N PHE A 14 39.534 2.366 24.437 1.00 0.00 N ATOM 92 CA PHE A 14 40.823 3.009 24.585 1.00 0.00 C ATOM 93 C PHE A 14 41.047 3.889 23.366 1.00 0.00 C ATOM 94 O PHE A 14 41.542 5.007 23.483 1.00 0.00 O ATOM 95 CB PHE A 14 41.912 1.947 24.697 1.00 0.00 C ATOM 0 H PHE A 14 39.584 1.394 24.133 1.00 0.00 H new ATOM 0 HA PHE A 14 40.854 3.619 25.488 1.00 0.00 H new ATOM 98 N LYS A 15 40.664 3.378 22.194 1.00 0.00 N ATOM 99 CA LYS A 15 40.790 4.118 20.956 1.00 0.00 C ATOM 100 C LYS A 15 39.787 5.263 20.965 1.00 0.00 C ATOM 101 O LYS A 15 39.972 6.259 20.269 1.00 0.00 O ATOM 102 CB LYS A 15 40.536 3.183 19.777 1.00 0.00 C ATOM 0 H LYS A 15 40.262 2.447 22.086 1.00 0.00 H new ATOM 0 HA LYS A 15 41.795 4.528 20.859 1.00 0.00 H new ATOM 105 N SER A 16 38.725 5.123 21.764 1.00 0.00 N ATOM 106 CA SER A 16 37.704 6.144 21.877 1.00 0.00 C ATOM 107 C SER A 16 38.284 7.338 22.621 1.00 0.00 C ATOM 108 O SER A 16 38.472 8.404 22.038 1.00 0.00 O ATOM 109 CB SER A 16 36.500 5.572 22.617 1.00 0.00 C ATOM 0 H SER A 16 38.558 4.300 22.343 1.00 0.00 H new ATOM 0 HA SER A 16 37.377 6.470 20.889 1.00 0.00 H new ATOM 112 N LEU A 17 38.561 7.162 23.915 1.00 0.00 N ATOM 113 CA LEU A 17 39.143 8.218 24.719 1.00 0.00 C ATOM 114 C LEU A 17 40.465 8.635 24.090 1.00 0.00 C ATOM 115 O LEU A 17 40.858 9.798 24.165 1.00 0.00 O ATOM 116 CB LEU A 17 39.354 7.716 26.144 1.00 0.00 C ATOM 0 H LEU A 17 38.388 6.294 24.421 1.00 0.00 H new ATOM 0 HA LEU A 17 38.477 9.080 24.756 1.00 0.00 H new ATOM 119 N GLY A 18 41.142 7.676 23.455 1.00 0.00 N ATOM 120 CA GLY A 18 42.407 7.925 22.800 1.00 0.00 C ATOM 121 C GLY A 18 42.179 8.770 21.556 1.00 0.00 C ATOM 122 O GLY A 18 43.063 9.519 21.146 1.00 0.00 O ATOM 0 H GLY A 18 40.821 6.710 23.386 1.00 0.00 H new ATOM 0 HA2 GLY A 18 43.086 8.438 23.481 1.00 0.00 H new ATOM 0 HA3 GLY A 18 42.880 6.981 22.529 1.00 0.00 H new ATOM 126 N GLY A 19 40.988 8.662 20.959 1.00 0.00 N ATOM 127 CA GLY A 19 40.650 9.428 19.777 1.00 0.00 C ATOM 128 C GLY A 19 40.474 10.885 20.173 1.00 0.00 C ATOM 129 O GLY A 19 40.910 11.784 19.457 1.00 0.00 O ATOM 0 H GLY A 19 40.244 8.045 21.285 1.00 0.00 H new ATOM 0 HA2 GLY A 19 41.436 9.333 19.028 1.00 0.00 H new ATOM 0 HA3 GLY A 19 39.733 9.045 19.328 1.00 0.00 H new ATOM 133 N SER A 20 39.843 11.115 21.327 1.00 0.00 N ATOM 134 CA SER A 20 39.649 12.460 21.829 1.00 0.00 C ATOM 135 C SER A 20 41.032 13.086 21.986 1.00 0.00 C ATOM 136 O SER A 20 41.260 14.203 21.529 1.00 0.00 O ATOM 137 CB SER A 20 38.926 12.402 23.171 1.00 0.00 C ATOM 0 H SER A 20 39.461 10.382 21.925 1.00 0.00 H new ATOM 0 HA SER A 20 39.042 13.056 21.147 1.00 0.00 H new ATOM 140 N MET A 21 41.959 12.364 22.629 1.00 0.00 N ATOM 141 CA MET A 21 43.320 12.813 22.836 1.00 0.00 C ATOM 142 C MET A 21 43.999 13.238 21.538 1.00 0.00 C ATOM 143 O MET A 21 44.606 14.303 21.482 1.00 0.00 O ATOM 144 CB MET A 21 44.113 11.683 23.487 1.00 0.00 C ATOM 0 H MET A 21 41.771 11.441 23.021 1.00 0.00 H new ATOM 0 HA MET A 21 43.292 13.691 23.481 1.00 0.00 H new ATOM 147 N LYS A 22 43.922 12.392 20.507 1.00 0.00 N ATOM 148 CA LYS A 22 44.559 12.665 19.229 1.00 0.00 C ATOM 149 C LYS A 22 43.909 13.843 18.512 1.00 0.00 C ATOM 150 O LYS A 22 44.547 14.871 18.298 1.00 0.00 O ATOM 151 CB LYS A 22 44.496 11.412 18.360 1.00 0.00 C ATOM 0 H LYS A 22 43.418 11.506 20.540 1.00 0.00 H new ATOM 0 HA LYS A 22 45.599 12.936 19.413 1.00 0.00 H new ATOM 154 N ALA A 23 42.641 13.672 18.129 1.00 0.00 N ATOM 155 CA ALA A 23 41.904 14.718 17.435 1.00 0.00 C ATOM 156 C ALA A 23 41.959 16.008 18.251 1.00 0.00 C ATOM 157 O ALA A 23 41.878 17.107 17.709 1.00 0.00 O ATOM 158 CB ALA A 23 40.461 14.269 17.228 1.00 0.00 C ATOM 0 H ALA A 23 42.108 12.817 18.290 1.00 0.00 H new ATOM 0 HA ALA A 23 42.354 14.906 16.460 1.00 0.00 H new ATOM 0 HB1 ALA A 23 39.908 15.051 16.708 1.00 0.00 H new ATOM 0 HB2 ALA A 23 40.446 13.357 16.632 1.00 0.00 H new ATOM 0 HB3 ALA A 23 39.997 14.078 18.196 1.00 0.00 H new ATOM 161 N MET A 24 42.114 15.839 19.564 1.00 0.00 N ATOM 162 CA MET A 24 42.189 16.951 20.490 1.00 0.00 C ATOM 163 C MET A 24 43.579 17.576 20.471 1.00 0.00 C ATOM 164 O MET A 24 43.717 18.792 20.574 1.00 0.00 O ATOM 165 CB MET A 24 41.842 16.461 21.893 1.00 0.00 C ATOM 0 H MET A 24 42.190 14.924 20.008 1.00 0.00 H new ATOM 0 HA MET A 24 41.475 17.717 20.188 1.00 0.00 H new ATOM 168 N THR A 25 44.610 16.739 20.333 1.00 0.00 N ATOM 169 CA THR A 25 45.987 17.196 20.326 1.00 0.00 C ATOM 170 C THR A 25 46.344 17.854 19.002 1.00 0.00 C ATOM 171 O THR A 25 47.054 18.857 18.984 1.00 0.00 O ATOM 172 CB THR A 25 46.910 16.012 20.601 1.00 0.00 C ATOM 0 H THR A 25 44.506 15.730 20.224 1.00 0.00 H new ATOM 0 HA THR A 25 46.112 17.946 21.107 1.00 0.00 H new ATOM 175 N GLY A 26 45.851 17.303 17.890 1.00 0.00 N ATOM 176 CA GLY A 26 46.130 17.854 16.579 1.00 0.00 C ATOM 177 C GLY A 26 45.322 19.129 16.403 1.00 0.00 C ATOM 178 O GLY A 26 45.851 20.152 15.972 1.00 0.00 O ATOM 0 H GLY A 26 45.256 16.474 17.881 1.00 0.00 H new ATOM 0 HA2 GLY A 26 47.195 18.064 16.477 1.00 0.00 H new ATOM 0 HA3 GLY A 26 45.871 17.133 15.803 1.00 0.00 H new ATOM 182 N VAL A 27 44.036 19.063 16.752 1.00 0.00 N ATOM 183 CA VAL A 27 43.166 20.216 16.661 1.00 0.00 C ATOM 184 C VAL A 27 43.770 21.319 17.518 1.00 0.00 C ATOM 185 O VAL A 27 43.896 22.459 17.076 1.00 0.00 O ATOM 186 CB VAL A 27 41.768 19.848 17.149 1.00 0.00 C ATOM 0 H VAL A 27 43.582 18.218 17.100 1.00 0.00 H new ATOM 0 HA VAL A 27 43.077 20.557 15.630 1.00 0.00 H new ATOM 189 N ALA A 28 44.156 20.962 18.745 1.00 0.00 N ATOM 190 CA ALA A 28 44.764 21.901 19.664 1.00 0.00 C ATOM 191 C ALA A 28 45.992 22.532 19.023 1.00 0.00 C ATOM 192 O ALA A 28 46.258 23.715 19.225 1.00 0.00 O ATOM 193 CB ALA A 28 45.142 21.176 20.953 1.00 0.00 C ATOM 0 H ALA A 28 44.053 20.019 19.119 1.00 0.00 H new ATOM 0 HA ALA A 28 44.054 22.694 19.900 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.600 21.881 21.646 1.00 0.00 H new ATOM 0 HB2 ALA A 28 44.247 20.750 21.407 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.849 20.378 20.728 1.00 0.00 H new ATOM 196 N LYS A 29 46.739 21.747 18.241 1.00 0.00 N ATOM 197 CA LYS A 29 47.931 22.236 17.577 1.00 0.00 C ATOM 198 C LYS A 29 47.544 23.290 16.550 1.00 0.00 C ATOM 199 O LYS A 29 48.291 24.240 16.325 1.00 0.00 O ATOM 200 CB LYS A 29 48.652 21.070 16.908 1.00 0.00 C ATOM 0 H LYS A 29 46.530 20.766 18.057 1.00 0.00 H new ATOM 0 HA LYS A 29 48.602 22.691 18.305 1.00 0.00 H new ATOM 203 N ALA A 30 46.365 23.122 15.944 1.00 0.00 N ATOM 204 CA ALA A 30 45.866 24.057 14.955 1.00 0.00 C ATOM 205 C ALA A 30 45.248 25.237 15.690 1.00 0.00 C ATOM 206 O ALA A 30 45.957 26.166 16.070 1.00 0.00 O ATOM 207 CB ALA A 30 44.838 23.362 14.067 1.00 0.00 C ATOM 0 H ALA A 30 45.740 22.337 16.129 1.00 0.00 H new ATOM 0 HA ALA A 30 46.673 24.413 14.315 1.00 0.00 H new ATOM 0 HB1 ALA A 30 44.464 24.066 13.324 1.00 0.00 H new ATOM 0 HB2 ALA A 30 45.305 22.516 13.562 1.00 0.00 H new ATOM 0 HB3 ALA A 30 44.009 23.006 14.679 1.00 0.00 H new ATOM 210 N PHE A 31 43.926 25.195 15.880 1.00 0.00 N ATOM 211 CA PHE A 31 43.207 26.236 16.589 1.00 0.00 C ATOM 212 C PHE A 31 41.949 25.644 17.210 1.00 0.00 C ATOM 213 O PHE A 31 42.027 24.979 18.241 1.00 0.00 O ATOM 214 CB PHE A 31 42.873 27.375 15.630 1.00 0.00 C ATOM 0 H PHE A 31 43.333 24.436 15.544 1.00 0.00 H new ATOM 0 HA PHE A 31 43.826 26.642 17.389 1.00 0.00 H new ATOM 217 N ASP A 32 40.793 25.882 16.583 1.00 0.00 N ATOM 218 CA ASP A 32 39.533 25.370 17.084 1.00 0.00 C ATOM 219 C ASP A 32 38.373 25.931 16.278 1.00 0.00 C ATOM 220 O ASP A 32 38.013 27.095 16.438 1.00 0.00 O ATOM 221 CB ASP A 32 39.373 25.751 18.553 1.00 0.00 C ATOM 0 H ASP A 32 40.713 26.429 15.726 1.00 0.00 H new ATOM 0 HA ASP A 32 39.532 24.284 16.987 1.00 0.00 H new ATOM 224 N ALA A 33 37.780 25.099 15.418 1.00 0.00 N ATOM 225 CA ALA A 33 36.650 25.502 14.606 1.00 0.00 C ATOM 226 C ALA A 33 35.908 24.254 14.145 1.00 0.00 C ATOM 227 O ALA A 33 35.224 23.612 14.939 1.00 0.00 O ATOM 228 CB ALA A 33 37.138 26.336 13.426 1.00 0.00 C ATOM 0 H ALA A 33 38.075 24.133 15.272 1.00 0.00 H new ATOM 0 HA ALA A 33 35.963 26.119 15.184 1.00 0.00 H new ATOM 0 HB1 ALA A 33 36.286 26.638 12.817 1.00 0.00 H new ATOM 0 HB2 ALA A 33 37.652 27.223 13.795 1.00 0.00 H new ATOM 0 HB3 ALA A 33 37.825 25.744 12.821 1.00 0.00 H new ATOM 231 N GLU A 34 36.045 23.902 12.864 1.00 0.00 N ATOM 232 CA GLU A 34 35.387 22.733 12.318 1.00 0.00 C ATOM 233 C GLU A 34 36.006 21.469 12.897 1.00 0.00 C ATOM 234 O GLU A 34 35.291 20.541 13.268 1.00 0.00 O ATOM 235 CB GLU A 34 35.512 22.747 10.797 1.00 0.00 C ATOM 0 H GLU A 34 36.610 24.419 12.190 1.00 0.00 H new ATOM 0 HA GLU A 34 34.331 22.749 12.586 1.00 0.00 H new ATOM 238 N ALA A 35 37.339 21.434 12.985 1.00 0.00 N ATOM 239 CA ALA A 35 38.045 20.283 13.508 1.00 0.00 C ATOM 240 C ALA A 35 37.682 20.057 14.968 1.00 0.00 C ATOM 241 O ALA A 35 37.245 18.967 15.330 1.00 0.00 O ATOM 242 CB ALA A 35 39.548 20.500 13.355 1.00 0.00 C ATOM 0 H ALA A 35 37.946 22.201 12.696 1.00 0.00 H new ATOM 0 HA ALA A 35 37.754 19.395 12.947 1.00 0.00 H new ATOM 0 HB1 ALA A 35 40.082 19.635 13.748 1.00 0.00 H new ATOM 0 HB2 ALA A 35 39.792 20.629 12.300 1.00 0.00 H new ATOM 0 HB3 ALA A 35 39.845 21.392 13.907 1.00 0.00 H new ATOM 245 N ALA A 36 37.871 21.084 15.803 1.00 0.00 N ATOM 246 CA ALA A 36 37.575 21.008 17.221 1.00 0.00 C ATOM 247 C ALA A 36 36.177 20.458 17.464 1.00 0.00 C ATOM 248 O ALA A 36 36.007 19.549 18.270 1.00 0.00 O ATOM 249 CB ALA A 36 37.717 22.395 17.841 1.00 0.00 C ATOM 0 H ALA A 36 38.235 21.989 15.505 1.00 0.00 H new ATOM 0 HA ALA A 36 38.283 20.325 17.690 1.00 0.00 H new ATOM 0 HB1 ALA A 36 37.495 22.342 18.907 1.00 0.00 H new ATOM 0 HB2 ALA A 36 38.737 22.754 17.700 1.00 0.00 H new ATOM 0 HB3 ALA A 36 37.021 23.082 17.360 1.00 0.00 H new ATOM 252 N LYS A 37 35.175 21.007 16.776 1.00 0.00 N ATOM 253 CA LYS A 37 33.809 20.546 16.934 1.00 0.00 C ATOM 254 C LYS A 37 33.725 19.050 16.655 1.00 0.00 C ATOM 255 O LYS A 37 33.077 18.313 17.396 1.00 0.00 O ATOM 256 CB LYS A 37 32.901 21.323 15.984 1.00 0.00 C ATOM 0 H LYS A 37 35.290 21.769 16.108 1.00 0.00 H new ATOM 0 HA LYS A 37 33.482 20.719 17.959 1.00 0.00 H new ATOM 259 N VAL A 38 34.389 18.604 15.587 1.00 0.00 N ATOM 260 CA VAL A 38 34.376 17.207 15.194 1.00 0.00 C ATOM 261 C VAL A 38 35.090 16.314 16.205 1.00 0.00 C ATOM 262 O VAL A 38 34.647 15.195 16.466 1.00 0.00 O ATOM 263 CB VAL A 38 35.022 17.071 13.818 1.00 0.00 C ATOM 0 H VAL A 38 34.946 19.203 14.978 1.00 0.00 H new ATOM 0 HA VAL A 38 33.339 16.875 15.158 1.00 0.00 H new ATOM 266 N GLU A 39 36.181 16.802 16.799 1.00 0.00 N ATOM 267 CA GLU A 39 36.947 16.012 17.742 1.00 0.00 C ATOM 268 C GLU A 39 36.183 15.932 19.053 1.00 0.00 C ATOM 269 O GLU A 39 35.975 14.846 19.585 1.00 0.00 O ATOM 270 CB GLU A 39 38.316 16.653 17.950 1.00 0.00 C ATOM 0 H GLU A 39 36.547 17.740 16.638 1.00 0.00 H new ATOM 0 HA GLU A 39 37.095 15.003 17.357 1.00 0.00 H new ATOM 273 N ALA A 40 35.770 17.095 19.557 1.00 0.00 N ATOM 274 CA ALA A 40 35.014 17.182 20.791 1.00 0.00 C ATOM 275 C ALA A 40 33.794 16.274 20.705 1.00 0.00 C ATOM 276 O ALA A 40 33.490 15.550 21.651 1.00 0.00 O ATOM 277 CB ALA A 40 34.599 18.629 21.029 1.00 0.00 C ATOM 0 H ALA A 40 35.953 17.997 19.117 1.00 0.00 H new ATOM 0 HA ALA A 40 35.629 16.855 21.629 1.00 0.00 H new ATOM 0 HB1 ALA A 40 34.030 18.697 21.956 1.00 0.00 H new ATOM 0 HB2 ALA A 40 35.488 19.255 21.102 1.00 0.00 H new ATOM 0 HB3 ALA A 40 33.981 18.972 20.199 1.00 0.00 H new ATOM 280 N ALA A 41 33.101 16.306 19.564 1.00 0.00 N ATOM 281 CA ALA A 41 31.933 15.472 19.358 1.00 0.00 C ATOM 282 C ALA A 41 32.354 14.018 19.509 1.00 0.00 C ATOM 283 O ALA A 41 31.668 13.228 20.155 1.00 0.00 O ATOM 284 CB ALA A 41 31.358 15.733 17.969 1.00 0.00 C ATOM 0 H ALA A 41 33.336 16.905 18.772 1.00 0.00 H new ATOM 0 HA ALA A 41 31.160 15.702 20.091 1.00 0.00 H new ATOM 0 HB1 ALA A 41 30.480 15.106 17.815 1.00 0.00 H new ATOM 0 HB2 ALA A 41 31.074 16.782 17.884 1.00 0.00 H new ATOM 0 HB3 ALA A 41 32.109 15.498 17.214 1.00 0.00 H new ATOM 287 N LYS A 42 33.504 13.680 18.920 1.00 0.00 N ATOM 288 CA LYS A 42 34.030 12.334 19.016 1.00 0.00 C ATOM 289 C LYS A 42 34.209 12.011 20.493 1.00 0.00 C ATOM 290 O LYS A 42 33.788 10.956 20.962 1.00 0.00 O ATOM 291 CB LYS A 42 35.360 12.251 18.272 1.00 0.00 C ATOM 0 H LYS A 42 34.079 14.323 18.376 1.00 0.00 H new ATOM 0 HA LYS A 42 33.349 11.613 18.563 1.00 0.00 H new ATOM 294 N LEU A 43 34.828 12.942 21.222 1.00 0.00 N ATOM 295 CA LEU A 43 35.070 12.797 22.640 1.00 0.00 C ATOM 296 C LEU A 43 33.777 12.513 23.389 1.00 0.00 C ATOM 297 O LEU A 43 33.701 11.523 24.111 1.00 0.00 O ATOM 298 CB LEU A 43 35.731 14.065 23.172 1.00 0.00 C ATOM 0 H LEU A 43 35.174 13.819 20.833 1.00 0.00 H new ATOM 0 HA LEU A 43 35.736 11.949 22.799 1.00 0.00 H new ATOM 301 N GLU A 44 32.767 13.377 23.237 1.00 0.00 N ATOM 302 CA GLU A 44 31.492 13.226 23.913 1.00 0.00 C ATOM 303 C GLU A 44 30.925 11.819 23.774 1.00 0.00 C ATOM 304 O GLU A 44 30.431 11.244 24.740 1.00 0.00 O ATOM 305 CB GLU A 44 30.509 14.244 23.342 1.00 0.00 C ATOM 0 H GLU A 44 32.820 14.201 22.638 1.00 0.00 H new ATOM 0 HA GLU A 44 31.649 13.400 24.977 1.00 0.00 H new ATOM 308 N LYS A 45 30.989 11.263 22.564 1.00 0.00 N ATOM 309 CA LYS A 45 30.459 9.937 22.318 1.00 0.00 C ATOM 310 C LYS A 45 31.334 8.856 22.944 1.00 0.00 C ATOM 311 O LYS A 45 30.829 7.964 23.622 1.00 0.00 O ATOM 312 CB LYS A 45 30.337 9.718 20.812 1.00 0.00 C ATOM 0 H LYS A 45 31.402 11.714 21.747 1.00 0.00 H new ATOM 0 HA LYS A 45 29.476 9.865 22.783 1.00 0.00 H new ATOM 315 N ILE A 46 32.645 8.942 22.703 1.00 0.00 N ATOM 316 CA ILE A 46 33.590 7.950 23.181 1.00 0.00 C ATOM 317 C ILE A 46 33.988 8.125 24.645 1.00 0.00 C ATOM 318 O ILE A 46 33.601 7.339 25.507 1.00 0.00 O ATOM 319 CB ILE A 46 34.831 7.994 22.294 1.00 0.00 C ATOM 0 H ILE A 46 33.072 9.701 22.172 1.00 0.00 H new ATOM 0 HA ILE A 46 33.095 6.981 23.125 1.00 0.00 H new ATOM 322 N LEU A 47 34.797 9.155 24.895 1.00 0.00 N ATOM 323 CA LEU A 47 35.328 9.418 26.220 1.00 0.00 C ATOM 324 C LEU A 47 34.242 9.696 27.254 1.00 0.00 C ATOM 325 O LEU A 47 34.364 9.273 28.402 1.00 0.00 O ATOM 326 CB LEU A 47 36.305 10.588 26.144 1.00 0.00 C ATOM 0 H LEU A 47 35.097 9.823 24.185 1.00 0.00 H new ATOM 0 HA LEU A 47 35.842 8.517 26.554 1.00 0.00 H new ATOM 329 N ALA A 48 33.185 10.401 26.844 1.00 0.00 N ATOM 330 CA ALA A 48 32.116 10.773 27.758 1.00 0.00 C ATOM 331 C ALA A 48 31.140 9.633 28.026 1.00 0.00 C ATOM 332 O ALA A 48 31.529 8.467 28.007 1.00 0.00 O ATOM 333 CB ALA A 48 31.395 12.007 27.233 1.00 0.00 C ATOM 0 H ALA A 48 33.052 10.723 25.885 1.00 0.00 H new ATOM 0 HA ALA A 48 32.573 11.006 28.720 1.00 0.00 H new ATOM 0 HB1 ALA A 48 30.595 12.281 27.921 1.00 0.00 H new ATOM 0 HB2 ALA A 48 32.101 12.833 27.149 1.00 0.00 H new ATOM 0 HB3 ALA A 48 30.971 11.791 26.252 1.00 0.00 H new ATOM 336 N THR A 49 29.883 10.009 28.293 1.00 0.00 N ATOM 337 CA THR A 49 28.805 9.088 28.611 1.00 0.00 C ATOM 338 C THR A 49 28.837 7.819 27.772 1.00 0.00 C ATOM 339 O THR A 49 27.827 7.456 27.172 1.00 0.00 O ATOM 340 CB THR A 49 27.469 9.804 28.438 1.00 0.00 C ATOM 0 H THR A 49 29.589 10.986 28.292 1.00 0.00 H new ATOM 0 HA THR A 49 28.937 8.773 29.646 1.00 0.00 H new ATOM 343 N ASP A 50 29.998 7.155 27.744 1.00 0.00 N ATOM 344 CA ASP A 50 30.203 5.906 27.038 1.00 0.00 C ATOM 345 C ASP A 50 31.075 5.020 27.920 1.00 0.00 C ATOM 346 O ASP A 50 30.884 3.806 27.948 1.00 0.00 O ATOM 347 CB ASP A 50 30.881 6.181 25.699 1.00 0.00 C ATOM 0 H ASP A 50 30.834 7.487 28.225 1.00 0.00 H new ATOM 0 HA ASP A 50 29.256 5.407 26.834 1.00 0.00 H new ATOM 350 N VAL A 51 32.011 5.641 28.653 1.00 0.00 N ATOM 351 CA VAL A 51 32.909 4.943 29.559 1.00 0.00 C ATOM 352 C VAL A 51 32.294 4.978 30.953 1.00 0.00 C ATOM 353 O VAL A 51 31.850 6.037 31.391 1.00 0.00 O ATOM 354 CB VAL A 51 34.265 5.642 29.559 1.00 0.00 C ATOM 0 H VAL A 51 32.160 6.650 28.627 1.00 0.00 H new ATOM 0 HA VAL A 51 33.051 3.909 29.245 1.00 0.00 H new ATOM 357 N ALA A 52 32.282 3.828 31.637 1.00 0.00 N ATOM 358 CA ALA A 52 31.701 3.687 32.962 1.00 0.00 C ATOM 359 C ALA A 52 31.456 2.211 33.260 1.00 0.00 C ATOM 360 O ALA A 52 31.041 1.872 34.366 1.00 0.00 O ATOM 361 CB ALA A 52 30.374 4.439 33.050 1.00 0.00 C ATOM 0 H ALA A 52 32.683 2.963 31.275 1.00 0.00 H new ATOM 0 HA ALA A 52 32.397 4.105 33.690 1.00 0.00 H new ATOM 0 HB1 ALA A 52 29.955 4.321 34.049 1.00 0.00 H new ATOM 0 HB2 ALA A 52 30.541 5.497 32.849 1.00 0.00 H new ATOM 0 HB3 ALA A 52 29.678 4.036 32.315 1.00 0.00 H new ATOM 364 N PRO A 53 31.696 1.340 32.272 1.00 0.00 N ATOM 365 CA PRO A 53 31.492 -0.089 32.431 1.00 0.00 C ATOM 366 C PRO A 53 32.028 -0.867 31.234 1.00 0.00 C ATOM 367 O PRO A 53 31.254 -1.372 30.424 1.00 0.00 O ATOM 368 CB PRO A 53 32.189 -0.564 33.703 1.00 0.00 C ATOM 0 HA PRO A 53 30.420 -0.273 32.500 1.00 0.00 H new ATOM 370 N LEU A 54 33.359 -0.974 31.155 1.00 0.00 N ATOM 371 CA LEU A 54 34.032 -1.724 30.115 1.00 0.00 C ATOM 372 C LEU A 54 34.140 -3.184 30.548 1.00 0.00 C ATOM 373 O LEU A 54 34.376 -4.057 29.715 1.00 0.00 O ATOM 374 CB LEU A 54 35.417 -1.129 29.881 1.00 0.00 C ATOM 0 H LEU A 54 33.995 -0.535 31.821 1.00 0.00 H new ATOM 0 HA LEU A 54 33.468 -1.671 29.184 1.00 0.00 H new ATOM 377 N PHE A 55 33.965 -3.443 31.851 1.00 0.00 N ATOM 378 CA PHE A 55 34.036 -4.785 32.404 1.00 0.00 C ATOM 379 C PHE A 55 33.184 -4.868 33.663 1.00 0.00 C ATOM 380 O PHE A 55 33.707 -5.072 34.757 1.00 0.00 O ATOM 381 CB PHE A 55 35.490 -5.132 32.710 1.00 0.00 C ATOM 0 H PHE A 55 33.770 -2.721 32.545 1.00 0.00 H new ATOM 0 HA PHE A 55 33.651 -5.503 31.680 1.00 0.00 H new ATOM 384 N PRO A 56 31.866 -4.718 33.505 1.00 0.00 N ATOM 385 CA PRO A 56 30.943 -4.778 34.621 1.00 0.00 C ATOM 386 C PRO A 56 31.307 -3.712 35.647 1.00 0.00 C ATOM 387 O PRO A 56 31.121 -2.526 35.384 1.00 0.00 O ATOM 388 CB PRO A 56 30.960 -6.180 35.224 1.00 0.00 C ATOM 0 HA PRO A 56 29.928 -4.575 34.279 1.00 0.00 H new ATOM 390 N ALA A 57 31.822 -4.136 36.807 1.00 0.00 N ATOM 391 CA ALA A 57 32.216 -3.226 37.867 1.00 0.00 C ATOM 392 C ALA A 57 33.667 -2.810 37.658 1.00 0.00 C ATOM 393 O ALA A 57 34.342 -2.426 38.610 1.00 0.00 O ATOM 394 CB ALA A 57 32.055 -3.926 39.213 1.00 0.00 C ATOM 0 H ALA A 57 31.974 -5.120 37.028 1.00 0.00 H new ATOM 0 HA ALA A 57 31.586 -2.336 37.851 1.00 0.00 H new ATOM 0 HB1 ALA A 57 32.350 -3.247 40.014 1.00 0.00 H new ATOM 0 HB2 ALA A 57 31.014 -4.218 39.349 1.00 0.00 H new ATOM 0 HB3 ALA A 57 32.687 -4.814 39.239 1.00 0.00 H new ATOM 397 N GLY A 58 34.143 -2.907 36.412 1.00 0.00 N ATOM 398 CA GLY A 58 35.510 -2.572 36.064 1.00 0.00 C ATOM 399 C GLY A 58 36.375 -3.807 36.270 1.00 0.00 C ATOM 400 O GLY A 58 37.511 -3.704 36.726 1.00 0.00 O ATOM 0 H GLY A 58 33.582 -3.222 35.621 1.00 0.00 H new ATOM 0 HA2 GLY A 58 35.567 -2.238 35.028 1.00 0.00 H new ATOM 0 HA3 GLY A 58 35.869 -1.750 36.684 1.00 0.00 H new ATOM 404 N THR A 59 35.822 -4.978 35.937 1.00 0.00 N ATOM 405 CA THR A 59 36.525 -6.236 36.096 1.00 0.00 C ATOM 406 C THR A 59 36.974 -6.368 37.544 1.00 0.00 C ATOM 407 O THR A 59 36.578 -7.299 38.242 1.00 0.00 O ATOM 408 CB THR A 59 37.721 -6.275 35.150 1.00 0.00 C ATOM 0 H THR A 59 34.881 -5.071 35.553 1.00 0.00 H new ATOM 0 HA THR A 59 35.868 -7.071 35.851 1.00 0.00 H new ATOM 411 N SER A 60 37.804 -5.420 37.984 1.00 0.00 N ATOM 412 CA SER A 60 38.310 -5.396 39.342 1.00 0.00 C ATOM 413 C SER A 60 39.315 -6.520 39.545 1.00 0.00 C ATOM 414 O SER A 60 38.988 -7.550 40.129 1.00 0.00 O ATOM 415 CB SER A 60 37.148 -5.522 40.324 1.00 0.00 C ATOM 0 H SER A 60 38.139 -4.652 37.403 1.00 0.00 H new ATOM 0 HA SER A 60 38.818 -4.449 39.523 1.00 0.00 H new ATOM 418 N SER A 61 40.546 -6.316 39.069 1.00 0.00 N ATOM 419 CA SER A 61 41.588 -7.314 39.203 1.00 0.00 C ATOM 420 C SER A 61 41.929 -7.514 40.673 1.00 0.00 C ATOM 421 O SER A 61 41.305 -6.912 41.544 1.00 0.00 O ATOM 422 CB SER A 61 42.821 -6.872 38.423 1.00 0.00 C ATOM 0 H SER A 61 40.837 -5.465 38.588 1.00 0.00 H new ATOM 0 HA SER A 61 41.237 -8.263 38.798 1.00 0.00 H new ATOM 425 N THR A 62 42.926 -8.360 40.943 1.00 0.00 N ATOM 426 CA THR A 62 43.349 -8.639 42.301 1.00 0.00 C ATOM 427 C THR A 62 44.405 -9.736 42.296 1.00 0.00 C ATOM 428 O THR A 62 44.221 -10.776 42.925 1.00 0.00 O ATOM 429 CB THR A 62 42.142 -9.058 43.135 1.00 0.00 C ATOM 0 H THR A 62 43.453 -8.862 40.228 1.00 0.00 H new ATOM 0 HA THR A 62 43.784 -7.742 42.741 1.00 0.00 H new ATOM 432 N ASP A 63 45.509 -9.503 41.581 1.00 0.00 N ATOM 433 CA ASP A 63 46.587 -10.469 41.499 1.00 0.00 C ATOM 434 C ASP A 63 46.131 -11.678 40.696 1.00 0.00 C ATOM 435 O ASP A 63 45.547 -12.608 41.249 1.00 0.00 O ATOM 436 CB ASP A 63 47.015 -10.879 42.906 1.00 0.00 C ATOM 0 H ASP A 63 45.672 -8.647 41.051 1.00 0.00 H new ATOM 0 HA ASP A 63 47.444 -10.023 40.993 1.00 0.00 H new ATOM 439 N LEU A 64 46.413 -11.666 39.391 1.00 0.00 N ATOM 440 CA LEU A 64 46.028 -12.753 38.512 1.00 0.00 C ATOM 441 C LEU A 64 46.341 -12.391 37.068 1.00 0.00 C ATOM 442 O LEU A 64 47.150 -11.502 36.810 1.00 0.00 O ATOM 443 CB LEU A 64 44.538 -13.038 38.678 1.00 0.00 C ATOM 0 H LEU A 64 46.910 -10.907 38.925 1.00 0.00 H new ATOM 0 HA LEU A 64 46.592 -13.648 38.774 1.00 0.00 H new ATOM 446 N PRO A 65 45.689 -13.082 36.129 1.00 0.00 N ATOM 447 CA PRO A 65 45.879 -12.843 34.712 1.00 0.00 C ATOM 448 C PRO A 65 47.245 -13.348 34.267 1.00 0.00 C ATOM 449 O PRO A 65 48.229 -13.204 34.990 1.00 0.00 O ATOM 450 CB PRO A 65 45.722 -11.355 34.413 1.00 0.00 C ATOM 0 HA PRO A 65 45.121 -13.390 34.152 1.00 0.00 H new ATOM 452 N GLY A 66 47.295 -13.948 33.075 1.00 0.00 N ATOM 453 CA GLY A 66 48.527 -14.472 32.523 1.00 0.00 C ATOM 454 C GLY A 66 48.380 -14.640 31.016 1.00 0.00 C ATOM 455 O GLY A 66 48.378 -15.761 30.513 1.00 0.00 O ATOM 0 H GLY A 66 46.481 -14.079 32.475 1.00 0.00 H new ATOM 0 HA2 GLY A 66 49.353 -13.797 32.745 1.00 0.00 H new ATOM 0 HA3 GLY A 66 48.766 -15.430 32.985 1.00 0.00 H new ATOM 459 N GLN A 67 48.257 -13.518 30.302 1.00 0.00 N ATOM 460 CA GLN A 67 48.105 -13.528 28.859 1.00 0.00 C ATOM 461 C GLN A 67 48.514 -12.173 28.299 1.00 0.00 C ATOM 462 O GLN A 67 49.407 -11.528 28.843 1.00 0.00 O ATOM 463 CB GLN A 67 46.655 -13.845 28.505 1.00 0.00 C ATOM 0 H GLN A 67 48.261 -12.585 30.713 1.00 0.00 H new ATOM 0 HA GLN A 67 48.745 -14.293 28.421 1.00 0.00 H new ATOM 466 N THR A 68 47.854 -11.748 27.216 1.00 0.00 N ATOM 467 CA THR A 68 48.135 -10.475 26.579 1.00 0.00 C ATOM 468 C THR A 68 46.892 -9.972 25.856 1.00 0.00 C ATOM 469 O THR A 68 46.223 -10.735 25.163 1.00 0.00 O ATOM 470 CB THR A 68 49.301 -10.635 25.608 1.00 0.00 C ATOM 0 H THR A 68 47.112 -12.283 26.764 1.00 0.00 H new ATOM 0 HA THR A 68 48.411 -9.741 27.336 1.00 0.00 H new ATOM 473 N GLU A 69 46.589 -8.683 26.031 1.00 0.00 N ATOM 474 CA GLU A 69 45.434 -8.059 25.416 1.00 0.00 C ATOM 475 C GLU A 69 45.285 -6.662 26.000 1.00 0.00 C ATOM 476 O GLU A 69 44.528 -6.464 26.947 1.00 0.00 O ATOM 477 CB GLU A 69 44.188 -8.895 25.697 1.00 0.00 C ATOM 0 H GLU A 69 47.144 -8.049 26.606 1.00 0.00 H new ATOM 0 HA GLU A 69 45.562 -7.994 24.335 1.00 0.00 H new ATOM 480 N ALA A 70 46.014 -5.697 25.435 1.00 0.00 N ATOM 481 CA ALA A 70 45.988 -4.333 25.922 1.00 0.00 C ATOM 482 C ALA A 70 46.665 -4.309 27.284 1.00 0.00 C ATOM 483 O ALA A 70 47.068 -5.355 27.789 1.00 0.00 O ATOM 484 CB ALA A 70 44.548 -3.835 26.008 1.00 0.00 C ATOM 0 H ALA A 70 46.630 -5.845 24.636 1.00 0.00 H new ATOM 0 HA ALA A 70 46.520 -3.669 25.241 1.00 0.00 H new ATOM 0 HB1 ALA A 70 44.539 -2.809 26.375 1.00 0.00 H new ATOM 0 HB2 ALA A 70 44.091 -3.871 25.019 1.00 0.00 H new ATOM 0 HB3 ALA A 70 43.984 -4.470 26.691 1.00 0.00 H new ATOM 487 N LYS A 71 46.798 -3.123 27.882 1.00 0.00 N ATOM 488 CA LYS A 71 47.434 -3.003 29.177 1.00 0.00 C ATOM 489 C LYS A 71 46.713 -3.881 30.191 1.00 0.00 C ATOM 490 O LYS A 71 47.336 -4.261 31.180 1.00 0.00 O ATOM 491 CB LYS A 71 47.443 -1.542 29.616 1.00 0.00 C ATOM 0 H LYS A 71 46.473 -2.242 27.485 1.00 0.00 H new ATOM 0 HA LYS A 71 48.467 -3.343 29.110 1.00 0.00 H new ATOM 494 N ALA A 72 45.425 -4.151 29.915 1.00 0.00 N ATOM 495 CA ALA A 72 44.519 -5.005 30.691 1.00 0.00 C ATOM 496 C ALA A 72 45.211 -5.792 31.789 1.00 0.00 C ATOM 497 O ALA A 72 46.150 -6.535 31.506 1.00 0.00 O ATOM 498 CB ALA A 72 43.814 -5.963 29.735 1.00 0.00 C ATOM 0 H ALA A 72 44.965 -3.754 29.096 1.00 0.00 H new ATOM 0 HA ALA A 72 43.808 -4.349 31.193 1.00 0.00 H new ATOM 0 HB1 ALA A 72 43.136 -6.605 30.298 1.00 0.00 H new ATOM 0 HB2 ALA A 72 43.247 -5.392 29.000 1.00 0.00 H new ATOM 0 HB3 ALA A 72 44.555 -6.577 29.223 1.00 0.00 H new ATOM 501 N ALA A 73 44.723 -5.658 33.028 1.00 0.00 N ATOM 502 CA ALA A 73 45.306 -6.258 34.212 1.00 0.00 C ATOM 503 C ALA A 73 44.865 -5.376 35.371 1.00 0.00 C ATOM 504 O ALA A 73 43.999 -5.755 36.155 1.00 0.00 O ATOM 505 CB ALA A 73 46.832 -6.284 34.136 1.00 0.00 C ATOM 0 H ALA A 73 43.886 -5.111 33.230 1.00 0.00 H new ATOM 0 HA ALA A 73 44.981 -7.293 34.323 1.00 0.00 H new ATOM 0 HB1 ALA A 73 47.234 -6.741 35.041 1.00 0.00 H new ATOM 0 HB2 ALA A 73 47.143 -6.865 33.268 1.00 0.00 H new ATOM 0 HB3 ALA A 73 47.209 -5.265 34.046 1.00 0.00 H new ATOM 508 N ILE A 74 45.463 -4.186 35.458 1.00 0.00 N ATOM 509 CA ILE A 74 45.124 -3.230 36.493 1.00 0.00 C ATOM 510 C ILE A 74 45.343 -3.859 37.862 1.00 0.00 C ATOM 511 O ILE A 74 46.482 -4.152 38.219 1.00 0.00 O ATOM 512 CB ILE A 74 43.681 -2.767 36.309 1.00 0.00 C ATOM 0 H ILE A 74 46.188 -3.868 34.815 1.00 0.00 H new ATOM 0 HA ILE A 74 45.769 -2.355 36.420 1.00 0.00 H new ATOM 515 N TRP A 75 44.266 -4.053 38.632 1.00 0.00 N ATOM 516 CA TRP A 75 44.347 -4.640 39.956 1.00 0.00 C ATOM 517 C TRP A 75 44.907 -3.614 40.929 1.00 0.00 C ATOM 518 O TRP A 75 44.481 -3.549 42.080 1.00 0.00 O ATOM 519 CB TRP A 75 45.194 -5.910 39.928 1.00 0.00 C ATOM 0 H TRP A 75 43.319 -3.805 38.347 1.00 0.00 H new ATOM 0 HA TRP A 75 43.350 -4.925 40.291 1.00 0.00 H new ATOM 522 N ALA A 76 45.854 -2.800 40.458 1.00 0.00 N ATOM 523 CA ALA A 76 46.467 -1.776 41.278 1.00 0.00 C ATOM 524 C ALA A 76 45.481 -0.656 41.587 1.00 0.00 C ATOM 525 O ALA A 76 45.530 0.404 40.965 1.00 0.00 O ATOM 526 CB ALA A 76 47.694 -1.225 40.557 1.00 0.00 C ATOM 0 H ALA A 76 46.209 -2.838 39.503 1.00 0.00 H new ATOM 0 HA ALA A 76 46.770 -2.218 42.227 1.00 0.00 H new ATOM 0 HB1 ALA A 76 48.160 -0.453 41.170 1.00 0.00 H new ATOM 0 HB2 ALA A 76 48.407 -2.031 40.384 1.00 0.00 H new ATOM 0 HB3 ALA A 76 47.392 -0.796 39.601 1.00 0.00 H new ATOM 529 N ASN A 77 44.597 -0.889 42.560 1.00 0.00 N ATOM 530 CA ASN A 77 43.635 0.105 42.997 1.00 0.00 C ATOM 531 C ASN A 77 42.516 0.340 41.992 1.00 0.00 C ATOM 532 O ASN A 77 42.438 1.419 41.408 1.00 0.00 O ATOM 533 CB ASN A 77 44.362 1.412 43.299 1.00 0.00 C ATOM 0 H ASN A 77 44.534 -1.775 43.062 1.00 0.00 H new ATOM 0 HA ASN A 77 43.157 -0.280 43.898 1.00 0.00 H new ATOM 536 N MET A 78 41.653 -0.665 41.803 1.00 0.00 N ATOM 537 CA MET A 78 40.511 -0.558 40.910 1.00 0.00 C ATOM 538 C MET A 78 39.734 0.719 41.211 1.00 0.00 C ATOM 539 O MET A 78 39.212 1.365 40.304 1.00 0.00 O ATOM 540 CB MET A 78 39.619 -1.783 41.085 1.00 0.00 C ATOM 0 H MET A 78 41.733 -1.570 42.267 1.00 0.00 H new ATOM 0 HA MET A 78 40.855 -0.514 39.877 1.00 0.00 H new ATOM 543 N ASP A 79 39.680 1.083 42.493 1.00 0.00 N ATOM 544 CA ASP A 79 38.997 2.293 42.911 1.00 0.00 C ATOM 545 C ASP A 79 39.684 3.478 42.245 1.00 0.00 C ATOM 546 O ASP A 79 39.039 4.283 41.577 1.00 0.00 O ATOM 547 CB ASP A 79 39.050 2.412 44.431 1.00 0.00 C ATOM 0 H ASP A 79 40.103 0.553 43.255 1.00 0.00 H new ATOM 0 HA ASP A 79 37.949 2.269 42.614 1.00 0.00 H new ATOM 550 N ASP A 80 41.003 3.564 42.437 1.00 0.00 N ATOM 551 CA ASP A 80 41.798 4.621 41.841 1.00 0.00 C ATOM 552 C ASP A 80 41.557 4.619 40.338 1.00 0.00 C ATOM 553 O ASP A 80 41.437 5.674 39.715 1.00 0.00 O ATOM 554 CB ASP A 80 43.273 4.392 42.158 1.00 0.00 C ATOM 0 H ASP A 80 41.538 2.907 43.005 1.00 0.00 H new ATOM 0 HA ASP A 80 41.511 5.591 42.247 1.00 0.00 H new ATOM 557 N PHE A 81 41.473 3.415 39.766 1.00 0.00 N ATOM 558 CA PHE A 81 41.219 3.255 38.351 1.00 0.00 C ATOM 559 C PHE A 81 39.931 3.985 38.004 1.00 0.00 C ATOM 560 O PHE A 81 39.894 4.755 37.046 1.00 0.00 O ATOM 561 CB PHE A 81 41.116 1.771 38.014 1.00 0.00 C ATOM 0 H PHE A 81 41.580 2.537 40.274 1.00 0.00 H new ATOM 0 HA PHE A 81 42.036 3.678 37.766 1.00 0.00 H new ATOM 564 N GLY A 82 38.878 3.745 38.792 1.00 0.00 N ATOM 565 CA GLY A 82 37.601 4.395 38.587 1.00 0.00 C ATOM 566 C GLY A 82 37.807 5.901 38.572 1.00 0.00 C ATOM 567 O GLY A 82 37.175 6.606 37.788 1.00 0.00 O ATOM 0 H GLY A 82 38.896 3.098 39.581 1.00 0.00 H new ATOM 0 HA2 GLY A 82 37.158 4.067 37.647 1.00 0.00 H new ATOM 0 HA3 GLY A 82 36.906 4.118 39.380 1.00 0.00 H new ATOM 571 N ALA A 83 38.704 6.388 39.434 1.00 0.00 N ATOM 572 CA ALA A 83 39.009 7.802 39.511 1.00 0.00 C ATOM 573 C ALA A 83 39.400 8.325 38.135 1.00 0.00 C ATOM 574 O ALA A 83 38.707 9.180 37.589 1.00 0.00 O ATOM 575 CB ALA A 83 40.136 8.025 40.515 1.00 0.00 C ATOM 0 H ALA A 83 39.231 5.811 40.090 1.00 0.00 H new ATOM 0 HA ALA A 83 38.128 8.349 39.846 1.00 0.00 H new ATOM 0 HB1 ALA A 83 40.366 9.089 40.573 1.00 0.00 H new ATOM 0 HB2 ALA A 83 39.825 7.667 41.496 1.00 0.00 H new ATOM 0 HB3 ALA A 83 41.023 7.479 40.193 1.00 0.00 H new ATOM 578 N LYS A 84 40.513 7.818 37.593 1.00 0.00 N ATOM 579 CA LYS A 84 41.001 8.229 36.281 1.00 0.00 C ATOM 580 C LYS A 84 39.879 8.189 35.253 1.00 0.00 C ATOM 581 O LYS A 84 39.840 9.001 34.335 1.00 0.00 O ATOM 582 CB LYS A 84 42.155 7.323 35.861 1.00 0.00 C ATOM 0 H LYS A 84 41.094 7.116 38.051 1.00 0.00 H new ATOM 0 HA LYS A 84 41.360 9.256 36.339 1.00 0.00 H new ATOM 585 N GLY A 85 39.000 7.207 35.429 1.00 0.00 N ATOM 586 CA GLY A 85 37.844 7.052 34.565 1.00 0.00 C ATOM 587 C GLY A 85 37.111 8.388 34.533 1.00 0.00 C ATOM 588 O GLY A 85 37.113 9.082 33.518 1.00 0.00 O ATOM 0 H GLY A 85 39.071 6.506 36.167 1.00 0.00 H new ATOM 0 HA2 GLY A 85 38.153 6.760 33.561 1.00 0.00 H new ATOM 0 HA3 GLY A 85 37.189 6.265 34.939 1.00 0.00 H new ATOM 592 N LYS A 86 36.496 8.717 35.669 1.00 0.00 N ATOM 593 CA LYS A 86 35.791 9.975 35.834 1.00 0.00 C ATOM 594 C LYS A 86 36.652 11.145 35.358 1.00 0.00 C ATOM 595 O LYS A 86 36.161 12.027 34.657 1.00 0.00 O ATOM 596 CB LYS A 86 35.410 10.150 37.301 1.00 0.00 C ATOM 0 H LYS A 86 36.476 8.117 36.494 1.00 0.00 H new ATOM 0 HA LYS A 86 34.886 9.960 35.227 1.00 0.00 H new ATOM 599 N ALA A 87 37.934 11.144 35.741 1.00 0.00 N ATOM 600 CA ALA A 87 38.850 12.213 35.373 1.00 0.00 C ATOM 601 C ALA A 87 38.843 12.440 33.867 1.00 0.00 C ATOM 602 O ALA A 87 38.676 13.567 33.397 1.00 0.00 O ATOM 603 CB ALA A 87 40.254 11.863 35.858 1.00 0.00 C ATOM 0 H ALA A 87 38.355 10.408 36.308 1.00 0.00 H new ATOM 0 HA ALA A 87 38.525 13.139 35.848 1.00 0.00 H new ATOM 0 HB1 ALA A 87 40.943 12.662 35.584 1.00 0.00 H new ATOM 0 HB2 ALA A 87 40.246 11.746 36.942 1.00 0.00 H new ATOM 0 HB3 ALA A 87 40.577 10.930 35.395 1.00 0.00 H new ATOM 606 N MET A 88 39.023 11.349 33.123 1.00 0.00 N ATOM 607 CA MET A 88 39.039 11.382 31.678 1.00 0.00 C ATOM 608 C MET A 88 37.766 12.056 31.202 1.00 0.00 C ATOM 609 O MET A 88 37.812 12.882 30.297 1.00 0.00 O ATOM 610 CB MET A 88 39.141 9.960 31.135 1.00 0.00 C ATOM 0 H MET A 88 39.162 10.418 33.516 1.00 0.00 H new ATOM 0 HA MET A 88 39.900 11.943 31.315 1.00 0.00 H new ATOM 613 N HIS A 89 36.635 11.711 31.822 1.00 0.00 N ATOM 614 CA HIS A 89 35.355 12.310 31.485 1.00 0.00 C ATOM 615 C HIS A 89 35.389 13.816 31.736 1.00 0.00 C ATOM 616 O HIS A 89 34.842 14.579 30.946 1.00 0.00 O ATOM 617 CB HIS A 89 34.256 11.651 32.315 1.00 0.00 C ATOM 0 H HIS A 89 36.587 11.014 32.565 1.00 0.00 H new ATOM 0 HA HIS A 89 35.148 12.150 30.427 1.00 0.00 H new ATOM 620 N GLU A 90 36.002 14.222 32.854 1.00 0.00 N ATOM 621 CA GLU A 90 36.133 15.639 33.185 1.00 0.00 C ATOM 622 C GLU A 90 36.686 16.389 31.971 1.00 0.00 C ATOM 623 O GLU A 90 36.214 17.466 31.610 1.00 0.00 O ATOM 624 CB GLU A 90 37.059 15.796 34.388 1.00 0.00 C ATOM 0 H GLU A 90 36.413 13.589 33.540 1.00 0.00 H new ATOM 0 HA GLU A 90 35.159 16.057 33.442 1.00 0.00 H new ATOM 627 N ALA A 91 37.681 15.765 31.345 1.00 0.00 N ATOM 628 CA ALA A 91 38.289 16.316 30.136 1.00 0.00 C ATOM 629 C ALA A 91 37.356 16.094 28.936 1.00 0.00 C ATOM 630 O ALA A 91 37.241 16.930 28.043 1.00 0.00 O ATOM 631 CB ALA A 91 39.642 15.653 29.907 1.00 0.00 C ATOM 0 H ALA A 91 38.083 14.880 31.654 1.00 0.00 H new ATOM 0 HA ALA A 91 38.441 17.389 30.253 1.00 0.00 H new ATOM 0 HB1 ALA A 91 40.099 16.061 29.006 1.00 0.00 H new ATOM 0 HB2 ALA A 91 40.291 15.845 30.762 1.00 0.00 H new ATOM 0 HB3 ALA A 91 39.505 14.578 29.789 1.00 0.00 H new ATOM 634 N GLY A 92 36.695 14.939 28.970 1.00 0.00 N ATOM 635 CA GLY A 92 35.758 14.530 27.941 1.00 0.00 C ATOM 636 C GLY A 92 34.704 15.610 27.710 1.00 0.00 C ATOM 637 O GLY A 92 34.655 16.219 26.642 1.00 0.00 O ATOM 0 H GLY A 92 36.800 14.258 29.722 1.00 0.00 H new ATOM 0 HA2 GLY A 92 36.293 14.333 27.012 1.00 0.00 H new ATOM 0 HA3 GLY A 92 35.273 13.598 28.233 1.00 0.00 H new ATOM 641 N GLY A 93 33.860 15.845 28.717 1.00 0.00 N ATOM 642 CA GLY A 93 32.803 16.831 28.634 1.00 0.00 C ATOM 643 C GLY A 93 33.385 18.235 28.581 1.00 0.00 C ATOM 644 O GLY A 93 32.863 19.094 27.875 1.00 0.00 O ATOM 0 H GLY A 93 33.898 15.352 29.609 1.00 0.00 H new ATOM 0 HA2 GLY A 93 32.197 16.649 27.747 1.00 0.00 H new ATOM 0 HA3 GLY A 93 32.142 16.737 29.496 1.00 0.00 H new ATOM 648 N ALA A 94 34.471 18.472 29.321 1.00 0.00 N ATOM 649 CA ALA A 94 35.113 19.769 29.343 1.00 0.00 C ATOM 650 C ALA A 94 35.533 20.154 27.932 1.00 0.00 C ATOM 651 O ALA A 94 35.394 21.309 27.536 1.00 0.00 O ATOM 652 CB ALA A 94 36.323 19.721 30.272 1.00 0.00 C ATOM 0 H ALA A 94 34.919 17.772 29.913 1.00 0.00 H new ATOM 0 HA ALA A 94 34.416 20.520 29.715 1.00 0.00 H new ATOM 0 HB1 ALA A 94 36.807 20.697 30.289 1.00 0.00 H new ATOM 0 HB2 ALA A 94 35.998 19.459 31.279 1.00 0.00 H new ATOM 0 HB3 ALA A 94 37.029 18.972 29.912 1.00 0.00 H new ATOM 655 N VAL A 95 36.038 19.182 27.167 1.00 0.00 N ATOM 656 CA VAL A 95 36.467 19.423 25.804 1.00 0.00 C ATOM 657 C VAL A 95 35.248 19.722 24.945 1.00 0.00 C ATOM 658 O VAL A 95 35.274 20.637 24.124 1.00 0.00 O ATOM 659 CB VAL A 95 37.210 18.196 25.282 1.00 0.00 C ATOM 0 H VAL A 95 36.156 18.218 27.479 1.00 0.00 H new ATOM 0 HA VAL A 95 37.142 20.278 25.767 1.00 0.00 H new ATOM 662 N ILE A 96 34.175 18.953 25.144 1.00 0.00 N ATOM 663 CA ILE A 96 32.949 19.156 24.398 1.00 0.00 C ATOM 664 C ILE A 96 32.472 20.582 24.634 1.00 0.00 C ATOM 665 O ILE A 96 32.090 21.279 23.696 1.00 0.00 O ATOM 666 CB ILE A 96 31.900 18.148 24.858 1.00 0.00 C ATOM 0 H ILE A 96 34.139 18.187 25.817 1.00 0.00 H new ATOM 0 HA ILE A 96 33.119 19.006 23.332 1.00 0.00 H new ATOM 669 N ALA A 97 32.511 21.011 25.897 1.00 0.00 N ATOM 670 CA ALA A 97 32.101 22.351 26.267 1.00 0.00 C ATOM 671 C ALA A 97 32.895 23.364 25.454 1.00 0.00 C ATOM 672 O ALA A 97 32.318 24.231 24.802 1.00 0.00 O ATOM 673 CB ALA A 97 32.327 22.558 27.762 1.00 0.00 C ATOM 0 H ALA A 97 32.826 20.439 26.680 1.00 0.00 H new ATOM 0 HA ALA A 97 31.041 22.488 26.055 1.00 0.00 H new ATOM 0 HB1 ALA A 97 32.019 23.566 28.040 1.00 0.00 H new ATOM 0 HB2 ALA A 97 31.740 21.831 28.323 1.00 0.00 H new ATOM 0 HB3 ALA A 97 33.384 22.425 27.992 1.00 0.00 H new ATOM 676 N ALA A 98 34.225 23.246 25.491 1.00 0.00 N ATOM 677 CA ALA A 98 35.097 24.141 24.756 1.00 0.00 C ATOM 678 C ALA A 98 34.720 24.125 23.281 1.00 0.00 C ATOM 679 O ALA A 98 34.775 25.155 22.613 1.00 0.00 O ATOM 680 CB ALA A 98 36.547 23.706 24.948 1.00 0.00 C ATOM 0 H ALA A 98 34.716 22.531 26.029 1.00 0.00 H new ATOM 0 HA ALA A 98 34.984 25.158 25.130 1.00 0.00 H new ATOM 0 HB1 ALA A 98 37.204 24.378 24.396 1.00 0.00 H new ATOM 0 HB2 ALA A 98 36.800 23.740 26.008 1.00 0.00 H new ATOM 0 HB3 ALA A 98 36.674 22.689 24.578 1.00 0.00 H new ATOM 683 N ALA A 99 34.331 22.950 22.780 1.00 0.00 N ATOM 684 CA ALA A 99 33.941 22.797 21.392 1.00 0.00 C ATOM 685 C ALA A 99 32.833 23.786 21.058 1.00 0.00 C ATOM 686 O ALA A 99 32.955 24.564 20.115 1.00 0.00 O ATOM 687 CB ALA A 99 33.471 21.366 21.153 1.00 0.00 C ATOM 0 H ALA A 99 34.280 22.090 23.326 1.00 0.00 H new ATOM 0 HA ALA A 99 34.794 23.001 20.745 1.00 0.00 H new ATOM 0 HB1 ALA A 99 33.177 21.249 20.110 1.00 0.00 H new ATOM 0 HB2 ALA A 99 34.281 20.674 21.382 1.00 0.00 H new ATOM 0 HB3 ALA A 99 32.618 21.151 21.796 1.00 0.00 H new ATOM 690 N ASN A 100 31.752 23.755 21.840 1.00 0.00 N ATOM 691 CA ASN A 100 30.629 24.646 21.630 1.00 0.00 C ATOM 692 C ASN A 100 31.055 26.082 21.898 1.00 0.00 C ATOM 693 O ASN A 100 30.822 26.965 21.077 1.00 0.00 O ATOM 694 CB ASN A 100 29.482 24.241 22.551 1.00 0.00 C ATOM 0 H ASN A 100 31.639 23.116 22.627 1.00 0.00 H new ATOM 0 HA ASN A 100 30.290 24.575 20.596 1.00 0.00 H new ATOM 697 N ALA A 101 31.687 26.311 23.052 1.00 0.00 N ATOM 698 CA ALA A 101 32.145 27.633 23.428 1.00 0.00 C ATOM 699 C ALA A 101 33.075 28.187 22.358 1.00 0.00 C ATOM 700 O ALA A 101 33.224 29.401 22.230 1.00 0.00 O ATOM 701 CB ALA A 101 32.858 27.557 24.775 1.00 0.00 C ATOM 0 H ALA A 101 31.890 25.586 23.740 1.00 0.00 H new ATOM 0 HA ALA A 101 31.291 28.304 23.517 1.00 0.00 H new ATOM 0 HB1 ALA A 101 33.204 28.551 25.060 1.00 0.00 H new ATOM 0 HB2 ALA A 101 32.168 27.182 25.531 1.00 0.00 H new ATOM 0 HB3 ALA A 101 33.712 26.884 24.697 1.00 0.00 H new ATOM 704 N GLY A 102 33.696 27.295 21.583 1.00 0.00 N ATOM 705 CA GLY A 102 34.610 27.697 20.532 1.00 0.00 C ATOM 706 C GLY A 102 35.904 28.224 21.137 1.00 0.00 C ATOM 707 O GLY A 102 36.604 29.011 20.502 1.00 0.00 O ATOM 0 H GLY A 102 33.576 26.286 21.671 1.00 0.00 H new ATOM 0 HA2 GLY A 102 34.823 26.849 19.881 1.00 0.00 H new ATOM 0 HA3 GLY A 102 34.149 28.467 19.913 1.00 0.00 H new ATOM 711 N ASP A 103 36.205 27.784 22.363 1.00 0.00 N ATOM 712 CA ASP A 103 37.403 28.188 23.079 1.00 0.00 C ATOM 713 C ASP A 103 38.520 27.195 22.793 1.00 0.00 C ATOM 714 O ASP A 103 38.650 26.195 23.493 1.00 0.00 O ATOM 715 CB ASP A 103 37.099 28.225 24.574 1.00 0.00 C ATOM 0 H ASP A 103 35.616 27.134 22.883 1.00 0.00 H new ATOM 0 HA ASP A 103 37.720 29.179 22.752 1.00 0.00 H new ATOM 718 N GLY A 104 39.328 27.471 21.768 1.00 0.00 N ATOM 719 CA GLY A 104 40.423 26.594 21.399 1.00 0.00 C ATOM 720 C GLY A 104 41.455 26.521 22.516 1.00 0.00 C ATOM 721 O GLY A 104 42.197 25.544 22.614 1.00 0.00 O ATOM 0 H GLY A 104 39.238 28.300 21.181 1.00 0.00 H new ATOM 0 HA2 GLY A 104 40.040 25.596 21.185 1.00 0.00 H new ATOM 0 HA3 GLY A 104 40.894 26.957 20.485 1.00 0.00 H new ATOM 725 N ALA A 105 41.480 27.540 23.379 1.00 0.00 N ATOM 726 CA ALA A 105 42.417 27.586 24.483 1.00 0.00 C ATOM 727 C ALA A 105 41.858 26.702 25.583 1.00 0.00 C ATOM 728 O ALA A 105 42.593 25.974 26.246 1.00 0.00 O ATOM 729 CB ALA A 105 42.565 29.027 24.964 1.00 0.00 C ATOM 0 H ALA A 105 40.855 28.344 23.326 1.00 0.00 H new ATOM 0 HA ALA A 105 43.404 27.231 24.184 1.00 0.00 H new ATOM 0 HB1 ALA A 105 43.270 29.063 25.795 1.00 0.00 H new ATOM 0 HB2 ALA A 105 42.935 29.647 24.147 1.00 0.00 H new ATOM 0 HB3 ALA A 105 41.596 29.402 25.294 1.00 0.00 H new ATOM 732 N ALA A 106 40.536 26.767 25.754 1.00 0.00 N ATOM 733 CA ALA A 106 39.848 25.975 26.748 1.00 0.00 C ATOM 734 C ALA A 106 39.842 24.514 26.324 1.00 0.00 C ATOM 735 O ALA A 106 39.924 23.629 27.171 1.00 0.00 O ATOM 736 CB ALA A 106 38.422 26.496 26.911 1.00 0.00 C ATOM 0 H ALA A 106 39.924 27.370 25.205 1.00 0.00 H new ATOM 0 HA ALA A 106 40.362 26.054 27.706 1.00 0.00 H new ATOM 0 HB1 ALA A 106 37.900 25.900 27.660 1.00 0.00 H new ATOM 0 HB2 ALA A 106 38.450 27.538 27.230 1.00 0.00 H new ATOM 0 HB3 ALA A 106 37.897 26.422 25.959 1.00 0.00 H new ATOM 739 N PHE A 107 39.756 24.261 25.014 1.00 0.00 N ATOM 740 CA PHE A 107 39.728 22.915 24.476 1.00 0.00 C ATOM 741 C PHE A 107 41.135 22.338 24.414 1.00 0.00 C ATOM 742 O PHE A 107 41.305 21.121 24.433 1.00 0.00 O ATOM 743 CB PHE A 107 39.101 22.943 23.085 1.00 0.00 C ATOM 0 H PHE A 107 39.704 24.991 24.304 1.00 0.00 H new ATOM 0 HA PHE A 107 39.130 22.278 25.128 1.00 0.00 H new ATOM 746 N GLY A 108 42.146 23.207 24.341 1.00 0.00 N ATOM 747 CA GLY A 108 43.525 22.761 24.305 1.00 0.00 C ATOM 748 C GLY A 108 43.913 22.328 25.712 1.00 0.00 C ATOM 749 O GLY A 108 44.473 21.251 25.912 1.00 0.00 O ATOM 0 H GLY A 108 42.028 24.220 24.306 1.00 0.00 H new ATOM 0 HA2 GLY A 108 43.640 21.933 23.606 1.00 0.00 H new ATOM 0 HA3 GLY A 108 44.177 23.563 23.959 1.00 0.00 H new ATOM 753 N ALA A 109 43.581 23.173 26.689 1.00 0.00 N ATOM 754 CA ALA A 109 43.868 22.885 28.079 1.00 0.00 C ATOM 755 C ALA A 109 42.998 21.713 28.503 1.00 0.00 C ATOM 756 O ALA A 109 43.431 20.852 29.266 1.00 0.00 O ATOM 757 CB ALA A 109 43.573 24.119 28.927 1.00 0.00 C ATOM 0 H ALA A 109 43.111 24.065 26.533 1.00 0.00 H new ATOM 0 HA ALA A 109 44.918 22.627 28.215 1.00 0.00 H new ATOM 0 HB1 ALA A 109 43.789 23.902 29.973 1.00 0.00 H new ATOM 0 HB2 ALA A 109 44.196 24.948 28.592 1.00 0.00 H new ATOM 0 HB3 ALA A 109 42.522 24.390 28.822 1.00 0.00 H new ATOM 760 N ALA A 110 41.767 21.682 27.987 1.00 0.00 N ATOM 761 CA ALA A 110 40.834 20.617 28.294 1.00 0.00 C ATOM 762 C ALA A 110 41.364 19.294 27.762 1.00 0.00 C ATOM 763 O ALA A 110 41.540 18.345 28.525 1.00 0.00 O ATOM 764 CB ALA A 110 39.471 20.929 27.683 1.00 0.00 C ATOM 0 H ALA A 110 41.400 22.391 27.352 1.00 0.00 H new ATOM 0 HA ALA A 110 40.723 20.538 29.375 1.00 0.00 H new ATOM 0 HB1 ALA A 110 38.774 20.124 27.918 1.00 0.00 H new ATOM 0 HB2 ALA A 110 39.094 21.866 28.093 1.00 0.00 H new ATOM 0 HB3 ALA A 110 39.569 21.020 26.601 1.00 0.00 H new ATOM 767 N LEU A 111 41.619 19.216 26.453 1.00 0.00 N ATOM 768 CA LEU A 111 42.108 18.011 25.823 1.00 0.00 C ATOM 769 C LEU A 111 43.402 17.532 26.456 1.00 0.00 C ATOM 770 O LEU A 111 43.668 16.332 26.455 1.00 0.00 O ATOM 771 CB LEU A 111 42.307 18.269 24.333 1.00 0.00 C ATOM 0 H LEU A 111 41.488 19.995 25.808 1.00 0.00 H new ATOM 0 HA LEU A 111 41.369 17.223 25.965 1.00 0.00 H new ATOM 774 N GLN A 112 44.218 18.437 27.005 1.00 0.00 N ATOM 775 CA GLN A 112 45.461 18.055 27.638 1.00 0.00 C ATOM 776 C GLN A 112 45.108 17.401 28.961 1.00 0.00 C ATOM 777 O GLN A 112 45.780 16.471 29.394 1.00 0.00 O ATOM 778 CB GLN A 112 46.329 19.292 27.852 1.00 0.00 C ATOM 0 H GLN A 112 44.030 19.439 27.018 1.00 0.00 H new ATOM 0 HA GLN A 112 46.026 17.360 27.018 1.00 0.00 H new ATOM 781 N LYS A 113 44.043 17.893 29.597 1.00 0.00 N ATOM 782 CA LYS A 113 43.569 17.320 30.839 1.00 0.00 C ATOM 783 C LYS A 113 43.289 15.848 30.575 1.00 0.00 C ATOM 784 O LYS A 113 43.658 14.984 31.368 1.00 0.00 O ATOM 785 CB LYS A 113 42.304 18.046 31.288 1.00 0.00 C ATOM 0 H LYS A 113 43.498 18.688 29.264 1.00 0.00 H new ATOM 0 HA LYS A 113 44.308 17.423 31.634 1.00 0.00 H new ATOM 788 N LEU A 114 42.655 15.571 29.433 1.00 0.00 N ATOM 789 CA LEU A 114 42.344 14.212 29.032 1.00 0.00 C ATOM 790 C LEU A 114 43.609 13.517 28.545 1.00 0.00 C ATOM 791 O LEU A 114 43.724 12.297 28.639 1.00 0.00 O ATOM 792 CB LEU A 114 41.303 14.239 27.916 1.00 0.00 C ATOM 0 H LEU A 114 42.348 16.282 28.770 1.00 0.00 H new ATOM 0 HA LEU A 114 41.944 13.663 29.885 1.00 0.00 H new ATOM 795 N GLY A 115 44.559 14.299 28.028 1.00 0.00 N ATOM 796 CA GLY A 115 45.804 13.762 27.513 1.00 0.00 C ATOM 797 C GLY A 115 46.640 13.160 28.633 1.00 0.00 C ATOM 798 O GLY A 115 46.979 11.979 28.589 1.00 0.00 O ATOM 0 H GLY A 115 44.481 15.314 27.958 1.00 0.00 H new ATOM 0 HA2 GLY A 115 45.593 13.001 26.762 1.00 0.00 H new ATOM 0 HA3 GLY A 115 46.368 14.552 27.017 1.00 0.00 H new ATOM 802 N GLY A 116 46.976 13.972 29.638 1.00 0.00 N ATOM 803 CA GLY A 116 47.772 13.522 30.761 1.00 0.00 C ATOM 804 C GLY A 116 46.929 12.654 31.683 1.00 0.00 C ATOM 805 O GLY A 116 47.467 11.850 32.442 1.00 0.00 O ATOM 0 H GLY A 116 46.701 14.953 29.688 1.00 0.00 H new ATOM 0 HA2 GLY A 116 48.633 12.957 30.404 1.00 0.00 H new ATOM 0 HA3 GLY A 116 48.159 14.380 31.310 1.00 0.00 H new ATOM 809 N THR A 117 45.605 12.809 31.614 1.00 0.00 N ATOM 810 CA THR A 117 44.705 12.028 32.437 1.00 0.00 C ATOM 811 C THR A 117 44.773 10.572 31.998 1.00 0.00 C ATOM 812 O THR A 117 45.059 9.689 32.804 1.00 0.00 O ATOM 813 CB THR A 117 43.285 12.571 32.298 1.00 0.00 C ATOM 0 H THR A 117 45.141 13.472 30.993 1.00 0.00 H new ATOM 0 HA THR A 117 44.997 12.096 33.485 1.00 0.00 H new ATOM 816 N CYS A 118 44.517 10.327 30.711 1.00 0.00 N ATOM 817 CA CYS A 118 44.558 8.987 30.161 1.00 0.00 C ATOM 818 C CYS A 118 45.979 8.447 30.245 1.00 0.00 C ATOM 819 O CYS A 118 46.190 7.317 30.681 1.00 0.00 O ATOM 820 CB CYS A 118 44.076 9.018 28.714 1.00 0.00 C ATOM 0 H CYS A 118 44.278 11.051 30.033 1.00 0.00 H new ATOM 0 HA CYS A 118 43.903 8.330 30.733 1.00 0.00 H new ATOM 823 N LYS A 119 46.953 9.262 29.832 1.00 0.00 N ATOM 824 CA LYS A 119 48.348 8.871 29.865 1.00 0.00 C ATOM 825 C LYS A 119 48.728 8.445 31.275 1.00 0.00 C ATOM 826 O LYS A 119 49.300 7.373 31.463 1.00 0.00 O ATOM 827 CB LYS A 119 49.214 10.039 29.402 1.00 0.00 C ATOM 0 H LYS A 119 46.790 10.202 29.470 1.00 0.00 H new ATOM 0 HA LYS A 119 48.510 8.027 29.194 1.00 0.00 H new ATOM 830 N ALA A 120 48.408 9.292 32.258 1.00 0.00 N ATOM 831 CA ALA A 120 48.697 9.014 33.653 1.00 0.00 C ATOM 832 C ALA A 120 48.177 7.634 34.031 1.00 0.00 C ATOM 833 O ALA A 120 48.867 6.875 34.708 1.00 0.00 O ATOM 834 CB ALA A 120 48.056 10.089 34.526 1.00 0.00 C ATOM 0 H ALA A 120 47.942 10.186 32.101 1.00 0.00 H new ATOM 0 HA ALA A 120 49.775 9.026 33.811 1.00 0.00 H new ATOM 0 HB1 ALA A 120 48.271 9.883 35.574 1.00 0.00 H new ATOM 0 HB2 ALA A 120 48.461 11.065 34.258 1.00 0.00 H new ATOM 0 HB3 ALA A 120 46.977 10.089 34.370 1.00 0.00 H new ATOM 837 N CYS A 121 46.959 7.313 33.585 1.00 0.00 N ATOM 838 CA CYS A 121 46.355 6.024 33.860 1.00 0.00 C ATOM 839 C CYS A 121 47.297 4.916 33.405 1.00 0.00 C ATOM 840 O CYS A 121 47.602 4.002 34.169 1.00 0.00 O ATOM 841 CB CYS A 121 45.016 5.926 33.136 1.00 0.00 C ATOM 0 H CYS A 121 46.376 7.939 33.029 1.00 0.00 H new ATOM 0 HA CYS A 121 46.181 5.915 34.930 1.00 0.00 H new ATOM 844 N HIS A 122 47.767 5.007 32.159 1.00 0.00 N ATOM 845 CA HIS A 122 48.682 4.025 31.614 1.00 0.00 C ATOM 846 C HIS A 122 49.965 4.031 32.432 1.00 0.00 C ATOM 847 O HIS A 122 50.515 2.976 32.739 1.00 0.00 O ATOM 848 CB HIS A 122 48.969 4.354 30.152 1.00 0.00 C ATOM 0 H HIS A 122 47.522 5.757 31.513 1.00 0.00 H new ATOM 0 HA HIS A 122 48.239 3.030 31.663 1.00 0.00 H new ATOM 851 N ASP A 123 50.434 5.228 32.792 1.00 0.00 N ATOM 852 CA ASP A 123 51.642 5.377 33.578 1.00 0.00 C ATOM 853 C ASP A 123 51.506 4.582 34.869 1.00 0.00 C ATOM 854 O ASP A 123 52.492 4.066 35.390 1.00 0.00 O ATOM 855 CB ASP A 123 51.874 6.855 33.875 1.00 0.00 C ATOM 0 H ASP A 123 49.985 6.110 32.545 1.00 0.00 H new ATOM 0 HA ASP A 123 52.498 4.995 33.022 1.00 0.00 H new ATOM 858 N ASP A 124 50.276 4.477 35.377 1.00 0.00 N ATOM 859 CA ASP A 124 50.012 3.740 36.596 1.00 0.00 C ATOM 860 C ASP A 124 50.152 2.251 36.313 1.00 0.00 C ATOM 861 O ASP A 124 50.753 1.521 37.098 1.00 0.00 O ATOM 862 CB ASP A 124 48.607 4.068 37.094 1.00 0.00 C ATOM 0 H ASP A 124 49.449 4.899 34.954 1.00 0.00 H new ATOM 0 HA ASP A 124 50.726 4.021 37.370 1.00 0.00 H new ATOM 865 N TYR A 125 49.599 1.808 35.181 1.00 0.00 N ATOM 866 CA TYR A 125 49.669 0.416 34.786 1.00 0.00 C ATOM 867 C TYR A 125 51.102 0.062 34.410 1.00 0.00 C ATOM 868 O TYR A 125 52.045 0.583 35.001 1.00 0.00 O ATOM 869 CB TYR A 125 48.726 0.176 33.610 1.00 0.00 C ATOM 0 H TYR A 125 49.097 2.405 34.524 1.00 0.00 H new ATOM 0 HA TYR A 125 49.363 -0.221 35.616 1.00 0.00 H new ATOM 872 N ARG A 126 51.262 -0.819 33.419 1.00 0.00 N ATOM 873 CA ARG A 126 52.573 -1.239 32.965 1.00 0.00 C ATOM 874 C ARG A 126 52.473 -1.819 31.561 1.00 0.00 C ATOM 875 O ARG A 126 53.174 -1.375 30.654 1.00 0.00 O ATOM 876 CB ARG A 126 53.141 -2.270 33.936 1.00 0.00 C ATOM 0 H ARG A 126 50.487 -1.253 32.918 1.00 0.00 H new ATOM 0 HA ARG A 126 53.243 -0.380 32.934 1.00 0.00 H new ATOM 879 N GLU A 127 51.597 -2.810 31.382 1.00 0.00 N ATOM 880 CA GLU A 127 51.411 -3.441 30.091 1.00 0.00 C ATOM 881 C GLU A 127 52.688 -4.159 29.677 1.00 0.00 C ATOM 882 O GLU A 127 53.598 -4.327 30.486 1.00 0.00 O ATOM 883 CB GLU A 127 51.029 -2.383 29.060 1.00 0.00 C ATOM 0 H GLU A 127 51.007 -3.188 32.123 1.00 0.00 H new ATOM 0 HA GLU A 127 50.609 -4.176 30.154 1.00 0.00 H new ATOM 886 N GLU A 128 52.752 -4.579 28.411 1.00 0.00 N ATOM 887 CA GLU A 128 53.910 -5.276 27.889 1.00 0.00 C ATOM 888 C GLU A 128 54.005 -6.660 28.514 1.00 0.00 C ATOM 889 O GLU A 128 53.991 -7.665 27.807 1.00 0.00 O ATOM 890 CB GLU A 128 55.169 -4.462 28.174 1.00 0.00 C ATOM 0 H GLU A 128 52.004 -4.443 27.731 1.00 0.00 H new ATOM 0 HA GLU A 128 53.811 -5.394 26.810 1.00 0.00 H new ATOM 893 N ASP A 129 54.102 -6.711 29.845 1.00 0.00 N ATOM 894 CA ASP A 129 54.198 -7.969 30.557 1.00 0.00 C ATOM 895 C ASP A 129 54.021 -7.730 32.050 1.00 0.00 C ATOM 896 O ASP A 129 54.494 -8.592 32.822 1.00 0.00 O ATOM 897 CB ASP A 129 55.550 -8.614 30.268 1.00 0.00 C ATOM 0 H ASP A 129 54.115 -5.887 30.445 1.00 0.00 H new ATOM 0 HA ASP A 129 53.410 -8.644 30.221 1.00 0.00 H new TER 900 ASP A 129 HETATM 901 FE HEM A 130 43.759 4.521 28.417 1.00 0.00 FE