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 31.187 -19.267 25.089 1.00 0.00 N ATOM 2 CA ALA A 1 30.417 -18.697 26.177 1.00 0.00 C ATOM 3 C ALA A 1 31.193 -17.539 26.788 1.00 0.00 C ATOM 4 O ALA A 1 30.709 -16.410 26.813 1.00 0.00 O ATOM 5 CB ALA A 1 29.067 -18.226 25.645 1.00 0.00 C ATOM 0 H1 ALA A 1 30.660 -20.059 24.668 1.00 0.00 H new ATOM 0 H2 ALA A 1 31.356 -18.540 24.365 1.00 0.00 H new ATOM 0 H3 ALA A 1 32.099 -19.612 25.452 1.00 0.00 H new ATOM 0 HA ALA A 1 30.244 -19.446 26.950 1.00 0.00 H new ATOM 0 HB1 ALA A 1 28.484 -17.797 26.460 1.00 0.00 H new ATOM 0 HB2 ALA A 1 29.223 -17.472 24.874 1.00 0.00 H new ATOM 0 HB3 ALA A 1 28.528 -19.073 25.221 1.00 0.00 H new ATOM 7 N ASP A 2 32.401 -17.822 27.281 1.00 0.00 N ATOM 8 CA ASP A 2 33.236 -16.805 27.889 1.00 0.00 C ATOM 9 C ASP A 2 33.454 -15.664 26.905 1.00 0.00 C ATOM 10 O ASP A 2 32.934 -14.567 27.099 1.00 0.00 O ATOM 11 CB ASP A 2 34.567 -17.422 28.308 1.00 0.00 C ATOM 0 H ASP A 2 32.817 -18.753 27.267 1.00 0.00 H new ATOM 0 HA ASP A 2 32.743 -16.406 28.776 1.00 0.00 H new ATOM 14 N THR A 3 34.228 -15.923 25.849 1.00 0.00 N ATOM 15 CA THR A 3 34.508 -14.918 24.844 1.00 0.00 C ATOM 16 C THR A 3 35.355 -13.808 25.448 1.00 0.00 C ATOM 17 O THR A 3 35.991 -14.007 26.481 1.00 0.00 O ATOM 18 CB THR A 3 33.193 -14.361 24.306 1.00 0.00 C ATOM 0 H THR A 3 34.669 -16.826 25.675 1.00 0.00 H new ATOM 0 HA THR A 3 35.064 -15.365 24.020 1.00 0.00 H new ATOM 21 N LYS A 4 35.354 -12.640 24.801 1.00 0.00 N ATOM 22 CA LYS A 4 36.111 -11.493 25.265 1.00 0.00 C ATOM 23 C LYS A 4 35.488 -10.220 24.709 1.00 0.00 C ATOM 24 O LYS A 4 36.190 -9.369 24.167 1.00 0.00 O ATOM 25 CB LYS A 4 37.565 -11.626 24.821 1.00 0.00 C ATOM 0 H LYS A 4 34.827 -12.471 23.944 1.00 0.00 H new ATOM 0 HA LYS A 4 36.087 -11.446 26.354 1.00 0.00 H new ATOM 28 N GLU A 5 34.165 -10.100 24.846 1.00 0.00 N ATOM 29 CA GLU A 5 33.439 -8.941 24.366 1.00 0.00 C ATOM 30 C GLU A 5 33.583 -7.802 25.366 1.00 0.00 C ATOM 31 O GLU A 5 33.579 -6.633 24.986 1.00 0.00 O ATOM 32 CB GLU A 5 31.969 -9.310 24.184 1.00 0.00 C ATOM 0 H GLU A 5 33.577 -10.804 25.292 1.00 0.00 H new ATOM 0 HA GLU A 5 33.845 -8.617 23.407 1.00 0.00 H new ATOM 35 N VAL A 6 33.717 -8.151 26.647 1.00 0.00 N ATOM 36 CA VAL A 6 33.854 -7.170 27.706 1.00 0.00 C ATOM 37 C VAL A 6 35.147 -6.387 27.543 1.00 0.00 C ATOM 38 O VAL A 6 35.142 -5.160 27.610 1.00 0.00 O ATOM 39 CB VAL A 6 33.821 -7.884 29.054 1.00 0.00 C ATOM 0 H VAL A 6 33.733 -9.118 26.970 1.00 0.00 H new ATOM 0 HA VAL A 6 33.027 -6.461 27.654 1.00 0.00 H new ATOM 42 N LEU A 7 36.258 -7.093 27.324 1.00 0.00 N ATOM 43 CA LEU A 7 37.543 -6.447 27.147 1.00 0.00 C ATOM 44 C LEU A 7 37.551 -5.740 25.801 1.00 0.00 C ATOM 45 O LEU A 7 37.897 -4.565 25.722 1.00 0.00 O ATOM 46 CB LEU A 7 38.655 -7.490 27.223 1.00 0.00 C ATOM 0 H LEU A 7 36.285 -8.111 27.266 1.00 0.00 H new ATOM 0 HA LEU A 7 37.712 -5.713 27.935 1.00 0.00 H new ATOM 49 N GLU A 8 37.169 -6.473 24.752 1.00 0.00 N ATOM 50 CA GLU A 8 37.113 -5.939 23.404 1.00 0.00 C ATOM 51 C GLU A 8 36.339 -4.627 23.368 1.00 0.00 C ATOM 52 O GLU A 8 36.786 -3.659 22.753 1.00 0.00 O ATOM 53 CB GLU A 8 36.470 -6.969 22.479 1.00 0.00 C ATOM 0 H GLU A 8 36.891 -7.452 24.821 1.00 0.00 H new ATOM 0 HA GLU A 8 38.127 -5.732 23.063 1.00 0.00 H new ATOM 56 N ALA A 9 35.186 -4.576 24.039 1.00 0.00 N ATOM 57 CA ALA A 9 34.384 -3.374 24.076 1.00 0.00 C ATOM 58 C ALA A 9 35.218 -2.301 24.742 1.00 0.00 C ATOM 59 O ALA A 9 35.264 -1.165 24.274 1.00 0.00 O ATOM 60 CB ALA A 9 33.095 -3.635 24.850 1.00 0.00 C ATOM 0 H ALA A 9 34.795 -5.360 24.562 1.00 0.00 H new ATOM 0 HA ALA A 9 34.100 -3.055 23.073 1.00 0.00 H new ATOM 0 HB1 ALA A 9 32.495 -2.725 24.874 1.00 0.00 H new ATOM 0 HB2 ALA A 9 32.531 -4.429 24.360 1.00 0.00 H new ATOM 0 HB3 ALA A 9 33.337 -3.937 25.869 1.00 0.00 H new ATOM 63 N ARG A 10 35.895 -2.666 25.833 1.00 0.00 N ATOM 64 CA ARG A 10 36.764 -1.744 26.528 1.00 0.00 C ATOM 65 C ARG A 10 37.839 -1.276 25.560 1.00 0.00 C ATOM 66 O ARG A 10 38.317 -0.147 25.661 1.00 0.00 O ATOM 67 CB ARG A 10 37.384 -2.441 27.736 1.00 0.00 C ATOM 0 H ARG A 10 35.851 -3.597 26.246 1.00 0.00 H new ATOM 0 HA ARG A 10 36.203 -0.881 26.886 1.00 0.00 H new ATOM 70 N GLU A 11 38.210 -2.134 24.603 1.00 0.00 N ATOM 71 CA GLU A 11 39.216 -1.772 23.627 1.00 0.00 C ATOM 72 C GLU A 11 38.666 -0.600 22.833 1.00 0.00 C ATOM 73 O GLU A 11 39.391 0.331 22.491 1.00 0.00 O ATOM 74 CB GLU A 11 39.504 -2.964 22.719 1.00 0.00 C ATOM 0 H GLU A 11 37.827 -3.073 24.493 1.00 0.00 H new ATOM 0 HA GLU A 11 40.154 -1.492 24.106 1.00 0.00 H new ATOM 77 N ALA A 12 37.361 -0.656 22.564 1.00 0.00 N ATOM 78 CA ALA A 12 36.674 0.387 21.825 1.00 0.00 C ATOM 79 C ALA A 12 36.637 1.655 22.666 1.00 0.00 C ATOM 80 O ALA A 12 36.879 2.748 22.161 1.00 0.00 O ATOM 81 CB ALA A 12 35.259 -0.079 21.496 1.00 0.00 C ATOM 0 H ALA A 12 36.758 -1.426 22.854 1.00 0.00 H new ATOM 0 HA ALA A 12 37.200 0.597 20.894 1.00 0.00 H new ATOM 0 HB1 ALA A 12 34.739 0.701 20.941 1.00 0.00 H new ATOM 0 HB2 ALA A 12 35.306 -0.985 20.892 1.00 0.00 H new ATOM 0 HB3 ALA A 12 34.720 -0.287 22.420 1.00 0.00 H new ATOM 84 N TYR A 13 36.338 1.499 23.959 1.00 0.00 N ATOM 85 CA TYR A 13 36.277 2.622 24.873 1.00 0.00 C ATOM 86 C TYR A 13 37.633 3.312 24.906 1.00 0.00 C ATOM 87 O TYR A 13 37.718 4.509 25.176 1.00 0.00 O ATOM 88 CB TYR A 13 35.888 2.125 26.262 1.00 0.00 C ATOM 0 H TYR A 13 36.135 0.597 24.389 1.00 0.00 H new ATOM 0 HA TYR A 13 35.526 3.338 24.539 1.00 0.00 H new ATOM 91 N PHE A 14 38.692 2.555 24.604 1.00 0.00 N ATOM 92 CA PHE A 14 40.039 3.088 24.588 1.00 0.00 C ATOM 93 C PHE A 14 40.218 3.860 23.290 1.00 0.00 C ATOM 94 O PHE A 14 40.886 4.891 23.261 1.00 0.00 O ATOM 95 CB PHE A 14 41.042 1.943 24.687 1.00 0.00 C ATOM 0 H PHE A 14 38.631 1.565 24.367 1.00 0.00 H new ATOM 0 HA PHE A 14 40.207 3.753 25.435 1.00 0.00 H new ATOM 98 N LYS A 15 39.604 3.355 22.217 1.00 0.00 N ATOM 99 CA LYS A 15 39.663 4.000 20.922 1.00 0.00 C ATOM 100 C LYS A 15 38.813 5.262 20.969 1.00 0.00 C ATOM 101 O LYS A 15 39.063 6.210 20.229 1.00 0.00 O ATOM 102 CB LYS A 15 39.152 3.040 19.852 1.00 0.00 C ATOM 0 H LYS A 15 39.058 2.493 22.230 1.00 0.00 H new ATOM 0 HA LYS A 15 40.690 4.270 20.676 1.00 0.00 H new ATOM 105 N SER A 16 37.810 5.272 21.851 1.00 0.00 N ATOM 106 CA SER A 16 36.938 6.418 22.006 1.00 0.00 C ATOM 107 C SER A 16 37.722 7.565 22.627 1.00 0.00 C ATOM 108 O SER A 16 37.970 8.574 21.971 1.00 0.00 O ATOM 109 CB SER A 16 35.745 6.039 22.880 1.00 0.00 C ATOM 0 H SER A 16 37.589 4.490 22.467 1.00 0.00 H new ATOM 0 HA SER A 16 36.564 6.736 21.033 1.00 0.00 H new ATOM 112 N LEU A 17 38.113 7.412 23.895 1.00 0.00 N ATOM 113 CA LEU A 17 38.875 8.436 24.584 1.00 0.00 C ATOM 114 C LEU A 17 40.195 8.647 23.857 1.00 0.00 C ATOM 115 O LEU A 17 40.747 9.747 23.849 1.00 0.00 O ATOM 116 CB LEU A 17 39.111 8.004 26.029 1.00 0.00 C ATOM 0 H LEU A 17 37.910 6.586 24.458 1.00 0.00 H new ATOM 0 HA LEU A 17 38.325 9.377 24.591 1.00 0.00 H new ATOM 119 N GLY A 18 40.689 7.583 23.220 1.00 0.00 N ATOM 120 CA GLY A 18 41.936 7.635 22.490 1.00 0.00 C ATOM 121 C GLY A 18 41.739 8.388 21.183 1.00 0.00 C ATOM 122 O GLY A 18 42.693 8.941 20.636 1.00 0.00 O ATOM 0 H GLY A 18 40.232 6.671 23.202 1.00 0.00 H new ATOM 0 HA2 GLY A 18 42.700 8.127 23.092 1.00 0.00 H new ATOM 0 HA3 GLY A 18 42.292 6.625 22.288 1.00 0.00 H new ATOM 126 N GLY A 19 40.499 8.446 20.688 1.00 0.00 N ATOM 127 CA GLY A 19 40.207 9.128 19.446 1.00 0.00 C ATOM 128 C GLY A 19 40.187 10.620 19.734 1.00 0.00 C ATOM 129 O GLY A 19 40.690 11.421 18.949 1.00 0.00 O ATOM 0 H GLY A 19 39.686 8.024 21.138 1.00 0.00 H new ATOM 0 HA2 GLY A 19 40.960 8.893 18.694 1.00 0.00 H new ATOM 0 HA3 GLY A 19 39.246 8.802 19.047 1.00 0.00 H new ATOM 133 N SER A 20 39.616 10.983 20.883 1.00 0.00 N ATOM 134 CA SER A 20 39.557 12.369 21.293 1.00 0.00 C ATOM 135 C SER A 20 40.987 12.892 21.383 1.00 0.00 C ATOM 136 O SER A 20 41.295 13.922 20.792 1.00 0.00 O ATOM 137 CB SER A 20 38.857 12.473 22.644 1.00 0.00 C ATOM 0 H SER A 20 39.190 10.329 21.540 1.00 0.00 H new ATOM 0 HA SER A 20 38.993 12.963 20.574 1.00 0.00 H new ATOM 140 N MET A 21 41.867 12.174 22.099 1.00 0.00 N ATOM 141 CA MET A 21 43.257 12.559 22.267 1.00 0.00 C ATOM 142 C MET A 21 43.970 12.735 20.929 1.00 0.00 C ATOM 143 O MET A 21 44.747 13.670 20.753 1.00 0.00 O ATOM 144 CB MET A 21 43.964 11.495 23.100 1.00 0.00 C ATOM 0 H MET A 21 41.622 11.307 22.576 1.00 0.00 H new ATOM 0 HA MET A 21 43.287 13.523 22.775 1.00 0.00 H new ATOM 147 N LYS A 22 43.713 11.815 19.998 1.00 0.00 N ATOM 148 CA LYS A 22 44.331 11.870 18.682 1.00 0.00 C ATOM 149 C LYS A 22 43.859 13.114 17.932 1.00 0.00 C ATOM 150 O LYS A 22 44.650 14.001 17.615 1.00 0.00 O ATOM 151 CB LYS A 22 43.981 10.607 17.900 1.00 0.00 C ATOM 0 H LYS A 22 43.081 11.026 20.135 1.00 0.00 H new ATOM 0 HA LYS A 22 45.414 11.927 18.793 1.00 0.00 H new ATOM 154 N ALA A 23 42.556 13.162 17.649 1.00 0.00 N ATOM 155 CA ALA A 23 41.968 14.290 16.939 1.00 0.00 C ATOM 156 C ALA A 23 42.267 15.606 17.663 1.00 0.00 C ATOM 157 O ALA A 23 42.266 16.675 17.054 1.00 0.00 O ATOM 158 CB ALA A 23 40.462 14.079 16.817 1.00 0.00 C ATOM 0 H ALA A 23 41.891 12.431 17.902 1.00 0.00 H new ATOM 0 HA ALA A 23 42.407 14.350 15.943 1.00 0.00 H new ATOM 0 HB1 ALA A 23 40.018 14.921 16.286 1.00 0.00 H new ATOM 0 HB2 ALA A 23 40.267 13.159 16.266 1.00 0.00 H new ATOM 0 HB3 ALA A 23 40.023 14.006 17.812 1.00 0.00 H new ATOM 161 N MET A 24 42.531 15.495 18.966 1.00 0.00 N ATOM 162 CA MET A 24 42.819 16.650 19.799 1.00 0.00 C ATOM 163 C MET A 24 44.268 17.083 19.628 1.00 0.00 C ATOM 164 O MET A 24 44.554 18.269 19.480 1.00 0.00 O ATOM 165 CB MET A 24 42.540 16.336 21.264 1.00 0.00 C ATOM 0 H MET A 24 42.550 14.606 19.465 1.00 0.00 H new ATOM 0 HA MET A 24 42.169 17.466 19.485 1.00 0.00 H new ATOM 168 N THR A 25 45.180 16.111 19.657 1.00 0.00 N ATOM 169 CA THR A 25 46.602 16.376 19.560 1.00 0.00 C ATOM 170 C THR A 25 46.994 16.818 18.158 1.00 0.00 C ATOM 171 O THR A 25 47.892 17.644 18.007 1.00 0.00 O ATOM 172 CB THR A 25 47.377 15.125 19.965 1.00 0.00 C ATOM 0 H THR A 25 44.947 15.122 19.748 1.00 0.00 H new ATOM 0 HA THR A 25 46.849 17.194 20.237 1.00 0.00 H new ATOM 175 N GLY A 26 46.328 16.281 17.132 1.00 0.00 N ATOM 176 CA GLY A 26 46.621 16.627 15.754 1.00 0.00 C ATOM 177 C GLY A 26 45.944 17.948 15.425 1.00 0.00 C ATOM 178 O GLY A 26 46.576 18.866 14.911 1.00 0.00 O ATOM 0 H GLY A 26 45.577 15.599 17.240 1.00 0.00 H new ATOM 0 HA2 GLY A 26 47.698 16.708 15.606 1.00 0.00 H new ATOM 0 HA3 GLY A 26 46.265 15.844 15.085 1.00 0.00 H new ATOM 182 N VAL A 27 44.646 18.030 15.725 1.00 0.00 N ATOM 183 CA VAL A 27 43.882 19.237 15.482 1.00 0.00 C ATOM 184 C VAL A 27 44.512 20.386 16.257 1.00 0.00 C ATOM 185 O VAL A 27 44.696 21.477 15.724 1.00 0.00 O ATOM 186 CB VAL A 27 42.436 19.024 15.919 1.00 0.00 C ATOM 0 H VAL A 27 44.108 17.268 16.138 1.00 0.00 H new ATOM 0 HA VAL A 27 43.889 19.477 14.419 1.00 0.00 H new ATOM 189 N ALA A 28 44.848 20.124 17.522 1.00 0.00 N ATOM 190 CA ALA A 28 45.448 21.119 18.386 1.00 0.00 C ATOM 191 C ALA A 28 46.830 21.532 17.893 1.00 0.00 C ATOM 192 O ALA A 28 47.187 22.704 17.983 1.00 0.00 O ATOM 193 CB ALA A 28 45.532 20.562 19.805 1.00 0.00 C ATOM 0 H ALA A 28 44.709 19.217 17.966 1.00 0.00 H new ATOM 0 HA ALA A 28 44.823 22.012 18.375 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.983 21.306 20.462 1.00 0.00 H new ATOM 0 HB2 ALA A 28 44.530 20.323 20.162 1.00 0.00 H new ATOM 0 HB3 ALA A 28 46.143 19.659 19.806 1.00 0.00 H new ATOM 196 N LYS A 29 47.611 20.581 17.370 1.00 0.00 N ATOM 197 CA LYS A 29 48.951 20.866 16.892 1.00 0.00 C ATOM 198 C LYS A 29 48.896 21.554 15.535 1.00 0.00 C ATOM 199 O LYS A 29 49.755 22.374 15.219 1.00 0.00 O ATOM 200 CB LYS A 29 49.736 19.561 16.798 1.00 0.00 C ATOM 0 H LYS A 29 47.329 19.606 17.270 1.00 0.00 H new ATOM 0 HA LYS A 29 49.450 21.538 17.590 1.00 0.00 H new ATOM 203 N ALA A 30 47.876 21.221 14.741 1.00 0.00 N ATOM 204 CA ALA A 30 47.700 21.796 13.423 1.00 0.00 C ATOM 205 C ALA A 30 47.082 23.178 13.581 1.00 0.00 C ATOM 206 O ALA A 30 47.680 24.042 14.219 1.00 0.00 O ATOM 207 CB ALA A 30 46.823 20.873 12.582 1.00 0.00 C ATOM 0 H ALA A 30 47.156 20.547 15.000 1.00 0.00 H new ATOM 0 HA ALA A 30 48.655 21.900 12.909 1.00 0.00 H new ATOM 0 HB1 ALA A 30 46.689 21.303 11.590 1.00 0.00 H new ATOM 0 HB2 ALA A 30 47.302 19.898 12.493 1.00 0.00 H new ATOM 0 HB3 ALA A 30 45.851 20.758 13.062 1.00 0.00 H new ATOM 210 N PHE A 31 45.886 23.384 13.017 1.00 0.00 N ATOM 211 CA PHE A 31 45.187 24.651 13.109 1.00 0.00 C ATOM 212 C PHE A 31 44.368 24.676 14.391 1.00 0.00 C ATOM 213 O PHE A 31 44.614 23.881 15.296 1.00 0.00 O ATOM 214 CB PHE A 31 44.276 24.805 11.894 1.00 0.00 C ATOM 0 H PHE A 31 45.384 22.672 12.487 1.00 0.00 H new ATOM 0 HA PHE A 31 45.899 25.476 13.127 1.00 0.00 H new ATOM 217 N ASP A 32 43.397 25.593 14.449 1.00 0.00 N ATOM 218 CA ASP A 32 42.526 25.736 15.601 1.00 0.00 C ATOM 219 C ASP A 32 41.162 26.244 15.162 1.00 0.00 C ATOM 220 O ASP A 32 40.831 27.406 15.386 1.00 0.00 O ATOM 221 CB ASP A 32 43.163 26.697 16.600 1.00 0.00 C ATOM 0 H ASP A 32 43.200 26.252 13.696 1.00 0.00 H new ATOM 0 HA ASP A 32 42.391 24.766 16.080 1.00 0.00 H new ATOM 224 N ALA A 33 40.363 25.369 14.546 1.00 0.00 N ATOM 225 CA ALA A 33 39.038 25.733 14.091 1.00 0.00 C ATOM 226 C ALA A 33 38.256 24.483 13.707 1.00 0.00 C ATOM 227 O ALA A 33 37.548 23.913 14.534 1.00 0.00 O ATOM 228 CB ALA A 33 39.150 26.688 12.906 1.00 0.00 C ATOM 0 H ALA A 33 40.621 24.401 14.355 1.00 0.00 H new ATOM 0 HA ALA A 33 38.502 26.236 14.896 1.00 0.00 H new ATOM 0 HB1 ALA A 33 38.152 26.962 12.564 1.00 0.00 H new ATOM 0 HB2 ALA A 33 39.688 27.586 13.212 1.00 0.00 H new ATOM 0 HB3 ALA A 33 39.690 26.200 12.095 1.00 0.00 H new ATOM 231 N GLU A 34 38.380 24.063 12.446 1.00 0.00 N ATOM 232 CA GLU A 34 37.674 22.902 11.942 1.00 0.00 C ATOM 233 C GLU A 34 38.107 21.624 12.647 1.00 0.00 C ATOM 234 O GLU A 34 37.263 20.860 13.110 1.00 0.00 O ATOM 235 CB GLU A 34 37.909 22.786 10.439 1.00 0.00 C ATOM 0 H GLU A 34 38.973 24.522 11.754 1.00 0.00 H new ATOM 0 HA GLU A 34 36.611 23.033 12.142 1.00 0.00 H new ATOM 238 N ALA A 35 39.418 21.380 12.730 1.00 0.00 N ATOM 239 CA ALA A 35 39.939 20.180 13.356 1.00 0.00 C ATOM 240 C ALA A 35 39.444 20.060 14.789 1.00 0.00 C ATOM 241 O ALA A 35 38.937 19.011 15.179 1.00 0.00 O ATOM 242 CB ALA A 35 41.464 20.214 13.316 1.00 0.00 C ATOM 0 H ALA A 35 40.135 22.007 12.366 1.00 0.00 H new ATOM 0 HA ALA A 35 39.583 19.308 12.808 1.00 0.00 H new ATOM 0 HB1 ALA A 35 41.860 19.314 13.786 1.00 0.00 H new ATOM 0 HB2 ALA A 35 41.800 20.261 12.280 1.00 0.00 H new ATOM 0 HB3 ALA A 35 41.823 21.092 13.854 1.00 0.00 H new ATOM 245 N ALA A 36 39.599 21.134 15.569 1.00 0.00 N ATOM 246 CA ALA A 36 39.175 21.152 16.956 1.00 0.00 C ATOM 247 C ALA A 36 37.722 20.713 17.068 1.00 0.00 C ATOM 248 O ALA A 36 37.399 19.849 17.880 1.00 0.00 O ATOM 249 CB ALA A 36 39.359 22.557 17.522 1.00 0.00 C ATOM 0 H ALA A 36 40.020 22.007 15.251 1.00 0.00 H new ATOM 0 HA ALA A 36 39.784 20.455 17.531 1.00 0.00 H new ATOM 0 HB1 ALA A 36 39.041 22.574 18.564 1.00 0.00 H new ATOM 0 HB2 ALA A 36 40.410 22.840 17.458 1.00 0.00 H new ATOM 0 HB3 ALA A 36 38.758 23.262 16.948 1.00 0.00 H new ATOM 252 N LYS A 37 36.853 21.310 16.248 1.00 0.00 N ATOM 253 CA LYS A 37 35.440 20.981 16.244 1.00 0.00 C ATOM 254 C LYS A 37 35.230 19.477 16.113 1.00 0.00 C ATOM 255 O LYS A 37 34.476 18.889 16.884 1.00 0.00 O ATOM 256 CB LYS A 37 34.755 21.720 15.098 1.00 0.00 C ATOM 0 H LYS A 37 37.115 22.030 15.575 1.00 0.00 H new ATOM 0 HA LYS A 37 35.000 21.294 17.191 1.00 0.00 H new ATOM 259 N VAL A 38 35.899 18.852 15.140 1.00 0.00 N ATOM 260 CA VAL A 38 35.773 17.426 14.911 1.00 0.00 C ATOM 261 C VAL A 38 36.267 16.634 16.114 1.00 0.00 C ATOM 262 O VAL A 38 35.696 15.599 16.462 1.00 0.00 O ATOM 263 CB VAL A 38 36.561 17.047 13.661 1.00 0.00 C ATOM 0 H VAL A 38 36.536 19.324 14.498 1.00 0.00 H new ATOM 0 HA VAL A 38 34.721 17.182 14.765 1.00 0.00 H new ATOM 266 N GLU A 39 37.319 17.122 16.779 1.00 0.00 N ATOM 267 CA GLU A 39 37.862 16.440 17.929 1.00 0.00 C ATOM 268 C GLU A 39 36.790 16.470 19.000 1.00 0.00 C ATOM 269 O GLU A 39 36.546 15.465 19.661 1.00 0.00 O ATOM 270 CB GLU A 39 39.130 17.148 18.397 1.00 0.00 C ATOM 0 H GLU A 39 37.802 17.986 16.531 1.00 0.00 H new ATOM 0 HA GLU A 39 38.134 15.410 17.696 1.00 0.00 H new ATOM 273 N ALA A 40 36.150 17.633 19.154 1.00 0.00 N ATOM 274 CA ALA A 40 35.076 17.807 20.109 1.00 0.00 C ATOM 275 C ALA A 40 34.022 16.731 19.891 1.00 0.00 C ATOM 276 O ALA A 40 33.517 16.159 20.852 1.00 0.00 O ATOM 277 CB ALA A 40 34.472 19.199 19.946 1.00 0.00 C ATOM 0 H ALA A 40 36.369 18.472 18.617 1.00 0.00 H new ATOM 0 HA ALA A 40 35.462 17.712 21.124 1.00 0.00 H new ATOM 0 HB1 ALA A 40 33.663 19.331 20.665 1.00 0.00 H new ATOM 0 HB2 ALA A 40 35.240 19.952 20.122 1.00 0.00 H new ATOM 0 HB3 ALA A 40 34.081 19.310 18.935 1.00 0.00 H new ATOM 280 N ALA A 41 33.689 16.449 18.628 1.00 0.00 N ATOM 281 CA ALA A 41 32.712 15.427 18.307 1.00 0.00 C ATOM 282 C ALA A 41 33.152 14.106 18.922 1.00 0.00 C ATOM 283 O ALA A 41 32.377 13.449 19.619 1.00 0.00 O ATOM 284 CB ALA A 41 32.584 15.304 16.791 1.00 0.00 C ATOM 0 H ALA A 41 34.088 16.920 17.816 1.00 0.00 H new ATOM 0 HA ALA A 41 31.738 15.697 18.715 1.00 0.00 H new ATOM 0 HB1 ALA A 41 31.850 14.536 16.549 1.00 0.00 H new ATOM 0 HB2 ALA A 41 32.262 16.258 16.374 1.00 0.00 H new ATOM 0 HB3 ALA A 41 33.549 15.030 16.365 1.00 0.00 H new ATOM 287 N LYS A 42 34.409 13.723 18.681 1.00 0.00 N ATOM 288 CA LYS A 42 34.936 12.493 19.240 1.00 0.00 C ATOM 289 C LYS A 42 34.836 12.595 20.755 1.00 0.00 C ATOM 290 O LYS A 42 34.514 11.619 21.434 1.00 0.00 O ATOM 291 CB LYS A 42 36.385 12.310 18.798 1.00 0.00 C ATOM 0 H LYS A 42 35.069 14.247 18.107 1.00 0.00 H new ATOM 0 HA LYS A 42 34.370 11.629 18.892 1.00 0.00 H new ATOM 294 N LEU A 43 35.100 13.801 21.268 1.00 0.00 N ATOM 295 CA LEU A 43 35.026 14.077 22.686 1.00 0.00 C ATOM 296 C LEU A 43 33.656 13.647 23.175 1.00 0.00 C ATOM 297 O LEU A 43 33.575 12.730 23.987 1.00 0.00 O ATOM 298 CB LEU A 43 35.268 15.561 22.944 1.00 0.00 C ATOM 0 H LEU A 43 35.370 14.606 20.703 1.00 0.00 H new ATOM 0 HA LEU A 43 35.794 13.525 23.227 1.00 0.00 H new ATOM 301 N GLU A 44 32.602 14.304 22.674 1.00 0.00 N ATOM 302 CA GLU A 44 31.222 14.000 23.003 1.00 0.00 C ATOM 303 C GLU A 44 30.963 12.504 23.091 1.00 0.00 C ATOM 304 O GLU A 44 30.339 12.051 24.048 1.00 0.00 O ATOM 305 CB GLU A 44 30.309 14.635 21.958 1.00 0.00 C ATOM 0 H GLU A 44 32.697 15.077 22.015 1.00 0.00 H new ATOM 0 HA GLU A 44 31.011 14.414 23.989 1.00 0.00 H new ATOM 308 N LYS A 45 31.431 11.724 22.111 1.00 0.00 N ATOM 309 CA LYS A 45 31.246 10.286 22.142 1.00 0.00 C ATOM 310 C LYS A 45 31.848 9.736 23.429 1.00 0.00 C ATOM 311 O LYS A 45 31.274 8.852 24.061 1.00 0.00 O ATOM 312 CB LYS A 45 31.915 9.661 20.920 1.00 0.00 C ATOM 0 H LYS A 45 31.936 12.070 21.295 1.00 0.00 H new ATOM 0 HA LYS A 45 30.184 10.041 22.117 1.00 0.00 H new ATOM 315 N ILE A 46 33.003 10.281 23.818 1.00 0.00 N ATOM 316 CA ILE A 46 33.662 9.864 25.043 1.00 0.00 C ATOM 317 C ILE A 46 32.836 10.349 26.231 1.00 0.00 C ATOM 318 O ILE A 46 32.730 9.652 27.239 1.00 0.00 O ATOM 319 CB ILE A 46 35.072 10.447 25.086 1.00 0.00 C ATOM 0 H ILE A 46 33.494 11.009 23.300 1.00 0.00 H new ATOM 0 HA ILE A 46 33.741 8.778 25.084 1.00 0.00 H new ATOM 322 N LEU A 47 32.272 11.552 26.079 1.00 0.00 N ATOM 323 CA LEU A 47 31.437 12.182 27.090 1.00 0.00 C ATOM 324 C LEU A 47 30.451 11.183 27.678 1.00 0.00 C ATOM 325 O LEU A 47 30.349 11.063 28.897 1.00 0.00 O ATOM 326 CB LEU A 47 30.703 13.373 26.482 1.00 0.00 C ATOM 0 H LEU A 47 32.388 12.117 25.238 1.00 0.00 H new ATOM 0 HA LEU A 47 32.074 12.536 27.901 1.00 0.00 H new ATOM 329 N ALA A 48 29.734 10.453 26.820 1.00 0.00 N ATOM 330 CA ALA A 48 28.800 9.446 27.279 1.00 0.00 C ATOM 331 C ALA A 48 29.624 8.306 27.859 1.00 0.00 C ATOM 332 O ALA A 48 29.907 7.325 27.175 1.00 0.00 O ATOM 333 CB ALA A 48 27.944 8.967 26.110 1.00 0.00 C ATOM 0 H ALA A 48 29.789 10.547 25.806 1.00 0.00 H new ATOM 0 HA ALA A 48 28.125 9.843 28.037 1.00 0.00 H new ATOM 0 HB1 ALA A 48 27.242 8.209 26.459 1.00 0.00 H new ATOM 0 HB2 ALA A 48 27.391 9.810 25.695 1.00 0.00 H new ATOM 0 HB3 ALA A 48 28.586 8.539 25.340 1.00 0.00 H new ATOM 336 N THR A 49 30.011 8.449 29.127 1.00 0.00 N ATOM 337 CA THR A 49 30.842 7.473 29.799 1.00 0.00 C ATOM 338 C THR A 49 30.205 6.093 29.826 1.00 0.00 C ATOM 339 O THR A 49 29.141 5.881 29.247 1.00 0.00 O ATOM 340 CB THR A 49 31.141 7.954 31.216 1.00 0.00 C ATOM 0 H THR A 49 29.753 9.246 29.709 1.00 0.00 H new ATOM 0 HA THR A 49 31.771 7.378 29.237 1.00 0.00 H new ATOM 343 N ASP A 50 30.880 5.178 30.529 1.00 0.00 N ATOM 344 CA ASP A 50 30.475 3.791 30.678 1.00 0.00 C ATOM 345 C ASP A 50 31.711 2.985 31.054 1.00 0.00 C ATOM 346 O ASP A 50 31.863 1.844 30.624 1.00 0.00 O ATOM 347 CB ASP A 50 29.887 3.249 29.377 1.00 0.00 C ATOM 0 H ASP A 50 31.747 5.396 31.021 1.00 0.00 H new ATOM 0 HA ASP A 50 29.707 3.714 31.448 1.00 0.00 H new ATOM 350 N VAL A 51 32.605 3.588 31.843 1.00 0.00 N ATOM 351 CA VAL A 51 33.836 2.939 32.241 1.00 0.00 C ATOM 352 C VAL A 51 33.541 1.681 33.043 1.00 0.00 C ATOM 353 O VAL A 51 34.049 0.613 32.714 1.00 0.00 O ATOM 354 CB VAL A 51 34.688 3.913 33.049 1.00 0.00 C ATOM 0 H VAL A 51 32.489 4.530 32.215 1.00 0.00 H new ATOM 0 HA VAL A 51 34.390 2.643 31.350 1.00 0.00 H new ATOM 357 N ALA A 52 32.732 1.790 34.100 1.00 0.00 N ATOM 358 CA ALA A 52 32.394 0.640 34.912 1.00 0.00 C ATOM 359 C ALA A 52 31.570 -0.329 34.079 1.00 0.00 C ATOM 360 O ALA A 52 31.871 -1.519 34.025 1.00 0.00 O ATOM 361 CB ALA A 52 31.613 1.098 36.141 1.00 0.00 C ATOM 0 H ALA A 52 32.305 2.664 34.405 1.00 0.00 H new ATOM 0 HA ALA A 52 33.300 0.135 35.247 1.00 0.00 H new ATOM 0 HB1 ALA A 52 31.358 0.233 36.753 1.00 0.00 H new ATOM 0 HB2 ALA A 52 32.223 1.788 36.724 1.00 0.00 H new ATOM 0 HB3 ALA A 52 30.699 1.601 35.825 1.00 0.00 H new ATOM 364 N PRO A 53 30.531 0.190 33.420 1.00 0.00 N ATOM 365 CA PRO A 53 29.671 -0.621 32.584 1.00 0.00 C ATOM 366 C PRO A 53 30.486 -1.352 31.523 1.00 0.00 C ATOM 367 O PRO A 53 29.930 -2.130 30.750 1.00 0.00 O ATOM 368 CB PRO A 53 28.908 -1.614 33.456 1.00 0.00 C ATOM 0 HA PRO A 53 28.959 0.025 32.071 1.00 0.00 H new ATOM 370 N LEU A 54 31.800 -1.108 31.479 1.00 0.00 N ATOM 371 CA LEU A 54 32.659 -1.756 30.513 1.00 0.00 C ATOM 372 C LEU A 54 32.530 -3.265 30.631 1.00 0.00 C ATOM 373 O LEU A 54 32.478 -3.949 29.610 1.00 0.00 O ATOM 374 CB LEU A 54 34.106 -1.318 30.714 1.00 0.00 C ATOM 0 H LEU A 54 32.281 -0.464 32.107 1.00 0.00 H new ATOM 0 HA LEU A 54 32.351 -1.461 29.510 1.00 0.00 H new ATOM 377 N PHE A 55 32.452 -3.781 31.864 1.00 0.00 N ATOM 378 CA PHE A 55 32.312 -5.212 32.090 1.00 0.00 C ATOM 379 C PHE A 55 32.481 -5.572 33.559 1.00 0.00 C ATOM 380 O PHE A 55 33.223 -4.913 34.284 1.00 0.00 O ATOM 381 CB PHE A 55 33.344 -5.975 31.264 1.00 0.00 C ATOM 0 H PHE A 55 32.484 -3.222 32.717 1.00 0.00 H new ATOM 0 HA PHE A 55 31.305 -5.493 31.783 1.00 0.00 H new ATOM 384 N PRO A 56 31.790 -6.632 33.989 1.00 0.00 N ATOM 385 CA PRO A 56 31.901 -7.121 35.349 1.00 0.00 C ATOM 386 C PRO A 56 33.285 -7.737 35.463 1.00 0.00 C ATOM 387 O PRO A 56 33.431 -8.949 35.600 1.00 0.00 O ATOM 388 CB PRO A 56 30.811 -8.155 35.617 1.00 0.00 C ATOM 0 HA PRO A 56 31.773 -6.325 36.083 1.00 0.00 H new ATOM 390 N ALA A 57 34.299 -6.875 35.383 1.00 0.00 N ATOM 391 CA ALA A 57 35.679 -7.313 35.421 1.00 0.00 C ATOM 392 C ALA A 57 35.968 -8.198 34.214 1.00 0.00 C ATOM 393 O ALA A 57 35.075 -8.446 33.406 1.00 0.00 O ATOM 394 CB ALA A 57 35.944 -8.061 36.724 1.00 0.00 C ATOM 0 H ALA A 57 34.181 -5.866 35.291 1.00 0.00 H new ATOM 0 HA ALA A 57 36.342 -6.449 35.380 1.00 0.00 H new ATOM 0 HB1 ALA A 57 36.983 -8.390 36.750 1.00 0.00 H new ATOM 0 HB2 ALA A 57 35.751 -7.400 37.569 1.00 0.00 H new ATOM 0 HB3 ALA A 57 35.287 -8.929 36.785 1.00 0.00 H new ATOM 397 N GLY A 58 37.222 -8.653 34.102 1.00 0.00 N ATOM 398 CA GLY A 58 37.682 -9.498 33.010 1.00 0.00 C ATOM 399 C GLY A 58 38.716 -8.707 32.227 1.00 0.00 C ATOM 400 O GLY A 58 38.385 -7.702 31.602 1.00 0.00 O ATOM 0 H GLY A 58 37.951 -8.437 34.782 1.00 0.00 H new ATOM 0 HA2 GLY A 58 38.116 -10.421 33.395 1.00 0.00 H new ATOM 0 HA3 GLY A 58 36.849 -9.782 32.367 1.00 0.00 H new ATOM 404 N THR A 59 39.973 -9.151 32.270 1.00 0.00 N ATOM 405 CA THR A 59 41.043 -8.437 31.610 1.00 0.00 C ATOM 406 C THR A 59 41.213 -7.090 32.307 1.00 0.00 C ATOM 407 O THR A 59 41.873 -6.196 31.782 1.00 0.00 O ATOM 408 CB THR A 59 40.706 -8.252 30.133 1.00 0.00 C ATOM 0 H THR A 59 40.265 -9.999 32.755 1.00 0.00 H new ATOM 0 HA THR A 59 41.976 -8.997 31.670 1.00 0.00 H new ATOM 411 N SER A 60 40.604 -6.948 33.490 1.00 0.00 N ATOM 412 CA SER A 60 40.673 -5.729 34.268 1.00 0.00 C ATOM 413 C SER A 60 39.955 -5.968 35.589 1.00 0.00 C ATOM 414 O SER A 60 38.800 -5.580 35.752 1.00 0.00 O ATOM 415 CB SER A 60 40.031 -4.584 33.489 1.00 0.00 C ATOM 0 H SER A 60 40.050 -7.685 33.927 1.00 0.00 H new ATOM 0 HA SER A 60 41.709 -5.455 34.466 1.00 0.00 H new ATOM 418 N SER A 61 40.655 -6.610 36.528 1.00 0.00 N ATOM 419 CA SER A 61 40.104 -6.952 37.827 1.00 0.00 C ATOM 420 C SER A 61 41.075 -7.893 38.525 1.00 0.00 C ATOM 421 O SER A 61 41.145 -7.918 39.752 1.00 0.00 O ATOM 422 CB SER A 61 38.747 -7.627 37.647 1.00 0.00 C ATOM 0 H SER A 61 41.623 -6.905 36.401 1.00 0.00 H new ATOM 0 HA SER A 61 39.964 -6.055 38.430 1.00 0.00 H new ATOM 425 N THR A 62 41.821 -8.659 37.721 1.00 0.00 N ATOM 426 CA THR A 62 42.808 -9.605 38.205 1.00 0.00 C ATOM 427 C THR A 62 43.937 -9.656 37.187 1.00 0.00 C ATOM 428 O THR A 62 44.280 -8.631 36.602 1.00 0.00 O ATOM 429 CB THR A 62 42.160 -10.977 38.371 1.00 0.00 C ATOM 0 H THR A 62 41.748 -8.632 36.704 1.00 0.00 H new ATOM 0 HA THR A 62 43.202 -9.301 39.175 1.00 0.00 H new ATOM 432 N ASP A 63 44.509 -10.843 36.968 1.00 0.00 N ATOM 433 CA ASP A 63 45.587 -11.013 36.013 1.00 0.00 C ATOM 434 C ASP A 63 45.681 -12.470 35.583 1.00 0.00 C ATOM 435 O ASP A 63 45.016 -13.332 36.153 1.00 0.00 O ATOM 436 CB ASP A 63 46.898 -10.545 36.637 1.00 0.00 C ATOM 0 H ASP A 63 44.235 -11.701 37.447 1.00 0.00 H new ATOM 0 HA ASP A 63 45.386 -10.411 35.127 1.00 0.00 H new ATOM 439 N LEU A 64 46.507 -12.732 34.567 1.00 0.00 N ATOM 440 CA LEU A 64 46.691 -14.075 34.051 1.00 0.00 C ATOM 441 C LEU A 64 48.003 -14.167 33.285 1.00 0.00 C ATOM 442 O LEU A 64 48.004 -14.388 32.076 1.00 0.00 O ATOM 443 CB LEU A 64 45.514 -14.438 33.151 1.00 0.00 C ATOM 0 H LEU A 64 47.059 -12.021 34.088 1.00 0.00 H new ATOM 0 HA LEU A 64 46.732 -14.781 34.881 1.00 0.00 H new ATOM 446 N PRO A 65 49.122 -14.002 33.994 1.00 0.00 N ATOM 447 CA PRO A 65 50.434 -14.078 33.383 1.00 0.00 C ATOM 448 C PRO A 65 50.610 -12.953 32.373 1.00 0.00 C ATOM 449 O PRO A 65 51.643 -12.286 32.367 1.00 0.00 O ATOM 450 CB PRO A 65 50.601 -15.437 32.710 1.00 0.00 C ATOM 0 HA PRO A 65 51.199 -13.966 34.151 1.00 0.00 H new ATOM 452 N GLY A 66 49.601 -12.747 31.521 1.00 0.00 N ATOM 453 CA GLY A 66 49.653 -11.709 30.509 1.00 0.00 C ATOM 454 C GLY A 66 48.256 -11.333 30.034 1.00 0.00 C ATOM 455 O GLY A 66 48.044 -11.132 28.840 1.00 0.00 O ATOM 0 H GLY A 66 48.739 -13.292 31.519 1.00 0.00 H new ATOM 0 HA2 GLY A 66 50.152 -10.828 30.913 1.00 0.00 H new ATOM 0 HA3 GLY A 66 50.248 -12.052 29.662 1.00 0.00 H new ATOM 459 N GLN A 67 47.306 -11.236 30.968 1.00 0.00 N ATOM 460 CA GLN A 67 45.946 -10.856 30.638 1.00 0.00 C ATOM 461 C GLN A 67 45.916 -9.350 30.420 1.00 0.00 C ATOM 462 O GLN A 67 46.815 -8.645 30.872 1.00 0.00 O ATOM 463 CB GLN A 67 45.013 -11.260 31.775 1.00 0.00 C ATOM 0 H GLN A 67 47.463 -11.418 31.959 1.00 0.00 H new ATOM 0 HA GLN A 67 45.611 -11.361 29.732 1.00 0.00 H new ATOM 466 N THR A 68 44.895 -8.850 29.721 1.00 0.00 N ATOM 467 CA THR A 68 44.772 -7.433 29.447 1.00 0.00 C ATOM 468 C THR A 68 45.918 -6.979 28.554 1.00 0.00 C ATOM 469 O THR A 68 46.811 -7.764 28.239 1.00 0.00 O ATOM 470 CB THR A 68 44.768 -6.658 30.762 1.00 0.00 C ATOM 0 H THR A 68 44.140 -9.418 29.335 1.00 0.00 H new ATOM 0 HA THR A 68 43.834 -7.240 28.926 1.00 0.00 H new ATOM 473 N GLU A 69 45.891 -5.710 28.143 1.00 0.00 N ATOM 474 CA GLU A 69 46.926 -5.161 27.291 1.00 0.00 C ATOM 475 C GLU A 69 48.251 -5.148 28.039 1.00 0.00 C ATOM 476 O GLU A 69 49.218 -5.771 27.606 1.00 0.00 O ATOM 477 CB GLU A 69 46.534 -3.751 26.858 1.00 0.00 C ATOM 0 H GLU A 69 45.157 -5.047 28.392 1.00 0.00 H new ATOM 0 HA GLU A 69 47.038 -5.780 26.401 1.00 0.00 H new ATOM 480 N ALA A 70 48.292 -4.436 29.168 1.00 0.00 N ATOM 481 CA ALA A 70 49.492 -4.342 29.974 1.00 0.00 C ATOM 482 C ALA A 70 49.264 -3.365 31.119 1.00 0.00 C ATOM 483 O ALA A 70 49.830 -2.274 31.127 1.00 0.00 O ATOM 484 CB ALA A 70 50.657 -3.886 29.099 1.00 0.00 C ATOM 0 H ALA A 70 47.497 -3.916 29.539 1.00 0.00 H new ATOM 0 HA ALA A 70 49.732 -5.318 30.395 1.00 0.00 H new ATOM 0 HB1 ALA A 70 51.561 -3.815 29.704 1.00 0.00 H new ATOM 0 HB2 ALA A 70 50.814 -4.607 28.297 1.00 0.00 H new ATOM 0 HB3 ALA A 70 50.430 -2.910 28.670 1.00 0.00 H new ATOM 487 N LYS A 71 48.436 -3.761 32.089 1.00 0.00 N ATOM 488 CA LYS A 71 48.137 -2.916 33.229 1.00 0.00 C ATOM 489 C LYS A 71 47.112 -3.594 34.128 1.00 0.00 C ATOM 490 O LYS A 71 46.157 -2.960 34.570 1.00 0.00 O ATOM 491 CB LYS A 71 47.617 -1.568 32.739 1.00 0.00 C ATOM 0 H LYS A 71 47.964 -4.665 32.100 1.00 0.00 H new ATOM 0 HA LYS A 71 49.045 -2.754 33.810 1.00 0.00 H new ATOM 494 N ALA A 72 47.308 -4.888 34.393 1.00 0.00 N ATOM 495 CA ALA A 72 46.403 -5.652 35.229 1.00 0.00 C ATOM 496 C ALA A 72 46.259 -5.016 36.606 1.00 0.00 C ATOM 497 O ALA A 72 45.210 -5.128 37.235 1.00 0.00 O ATOM 498 CB ALA A 72 46.933 -7.077 35.359 1.00 0.00 C ATOM 0 H ALA A 72 48.096 -5.425 34.032 1.00 0.00 H new ATOM 0 HA ALA A 72 45.417 -5.664 34.765 1.00 0.00 H new ATOM 0 HB1 ALA A 72 46.259 -7.660 35.986 1.00 0.00 H new ATOM 0 HB2 ALA A 72 46.995 -7.534 34.371 1.00 0.00 H new ATOM 0 HB3 ALA A 72 47.924 -7.057 35.812 1.00 0.00 H new ATOM 501 N ALA A 73 47.315 -4.347 37.073 1.00 0.00 N ATOM 502 CA ALA A 73 47.322 -3.730 38.387 1.00 0.00 C ATOM 503 C ALA A 73 46.132 -2.803 38.592 1.00 0.00 C ATOM 504 O ALA A 73 45.763 -2.514 39.729 1.00 0.00 O ATOM 505 CB ALA A 73 48.631 -2.969 38.579 1.00 0.00 C ATOM 0 H ALA A 73 48.181 -4.222 36.549 1.00 0.00 H new ATOM 0 HA ALA A 73 47.240 -4.520 39.133 1.00 0.00 H new ATOM 0 HB1 ALA A 73 48.640 -2.504 39.565 1.00 0.00 H new ATOM 0 HB2 ALA A 73 49.469 -3.661 38.496 1.00 0.00 H new ATOM 0 HB3 ALA A 73 48.719 -2.198 37.813 1.00 0.00 H new ATOM 508 N ILE A 74 45.528 -2.339 37.499 1.00 0.00 N ATOM 509 CA ILE A 74 44.404 -1.430 37.582 1.00 0.00 C ATOM 510 C ILE A 74 43.223 -2.062 38.310 1.00 0.00 C ATOM 511 O ILE A 74 42.109 -1.552 38.199 1.00 0.00 O ATOM 512 CB ILE A 74 44.000 -0.992 36.177 1.00 0.00 C ATOM 0 H ILE A 74 45.804 -2.583 36.548 1.00 0.00 H new ATOM 0 HA ILE A 74 44.708 -0.557 38.160 1.00 0.00 H new ATOM 515 N TRP A 75 43.468 -3.157 39.044 1.00 0.00 N ATOM 516 CA TRP A 75 42.452 -3.870 39.806 1.00 0.00 C ATOM 517 C TRP A 75 42.736 -3.751 41.300 1.00 0.00 C ATOM 518 O TRP A 75 41.871 -4.068 42.114 1.00 0.00 O ATOM 519 CB TRP A 75 42.470 -5.338 39.389 1.00 0.00 C ATOM 0 H TRP A 75 44.396 -3.573 39.121 1.00 0.00 H new ATOM 0 HA TRP A 75 41.471 -3.438 39.606 1.00 0.00 H new ATOM 522 N ALA A 76 43.942 -3.289 41.652 1.00 0.00 N ATOM 523 CA ALA A 76 44.352 -3.141 43.036 1.00 0.00 C ATOM 524 C ALA A 76 43.919 -1.795 43.606 1.00 0.00 C ATOM 525 O ALA A 76 44.260 -1.479 44.744 1.00 0.00 O ATOM 526 CB ALA A 76 45.869 -3.284 43.122 1.00 0.00 C ATOM 0 H ALA A 76 44.655 -3.010 40.978 1.00 0.00 H new ATOM 0 HA ALA A 76 43.869 -3.918 43.628 1.00 0.00 H new ATOM 0 HB1 ALA A 76 46.187 -3.174 44.159 1.00 0.00 H new ATOM 0 HB2 ALA A 76 46.163 -4.267 42.755 1.00 0.00 H new ATOM 0 HB3 ALA A 76 46.342 -2.513 42.514 1.00 0.00 H new ATOM 529 N ASN A 77 43.181 -0.998 42.824 1.00 0.00 N ATOM 530 CA ASN A 77 42.724 0.305 43.273 1.00 0.00 C ATOM 531 C ASN A 77 41.520 0.764 42.462 1.00 0.00 C ATOM 532 O ASN A 77 41.564 1.825 41.845 1.00 0.00 O ATOM 533 CB ASN A 77 43.867 1.310 43.157 1.00 0.00 C ATOM 0 H ASN A 77 42.892 -1.241 41.877 1.00 0.00 H new ATOM 0 HA ASN A 77 42.414 0.234 44.316 1.00 0.00 H new ATOM 536 N MET A 78 40.460 -0.050 42.469 1.00 0.00 N ATOM 537 CA MET A 78 39.227 0.246 41.758 1.00 0.00 C ATOM 538 C MET A 78 38.777 1.686 41.983 1.00 0.00 C ATOM 539 O MET A 78 38.233 2.313 41.077 1.00 0.00 O ATOM 540 CB MET A 78 38.143 -0.726 42.214 1.00 0.00 C ATOM 0 H MET A 78 40.440 -0.936 42.973 1.00 0.00 H new ATOM 0 HA MET A 78 39.407 0.128 40.689 1.00 0.00 H new ATOM 543 N ASP A 79 39.012 2.214 43.186 1.00 0.00 N ATOM 544 CA ASP A 79 38.628 3.574 43.513 1.00 0.00 C ATOM 545 C ASP A 79 39.470 4.563 42.719 1.00 0.00 C ATOM 546 O ASP A 79 38.929 5.398 41.997 1.00 0.00 O ATOM 547 CB ASP A 79 38.795 3.803 45.012 1.00 0.00 C ATOM 0 H ASP A 79 39.469 1.712 43.947 1.00 0.00 H new ATOM 0 HA ASP A 79 37.582 3.729 43.247 1.00 0.00 H new ATOM 550 N ASP A 80 40.795 4.468 42.862 1.00 0.00 N ATOM 551 CA ASP A 80 41.711 5.345 42.156 1.00 0.00 C ATOM 552 C ASP A 80 41.417 5.275 40.666 1.00 0.00 C ATOM 553 O ASP A 80 41.322 6.302 39.993 1.00 0.00 O ATOM 554 CB ASP A 80 43.149 4.925 42.449 1.00 0.00 C ATOM 0 H ASP A 80 41.252 3.785 43.466 1.00 0.00 H new ATOM 0 HA ASP A 80 41.580 6.374 42.491 1.00 0.00 H new ATOM 557 N PHE A 81 41.262 4.050 40.159 1.00 0.00 N ATOM 558 CA PHE A 81 40.947 3.838 38.764 1.00 0.00 C ATOM 559 C PHE A 81 39.667 4.595 38.454 1.00 0.00 C ATOM 560 O PHE A 81 39.592 5.303 37.452 1.00 0.00 O ATOM 561 CB PHE A 81 40.783 2.345 38.495 1.00 0.00 C ATOM 0 H PHE A 81 41.352 3.193 40.705 1.00 0.00 H new ATOM 0 HA PHE A 81 41.750 4.204 38.123 1.00 0.00 H new ATOM 564 N GLY A 82 38.664 4.450 39.327 1.00 0.00 N ATOM 565 CA GLY A 82 37.403 5.142 39.172 1.00 0.00 C ATOM 566 C GLY A 82 37.673 6.632 39.040 1.00 0.00 C ATOM 567 O GLY A 82 37.032 7.309 38.239 1.00 0.00 O ATOM 0 H GLY A 82 38.714 3.852 40.152 1.00 0.00 H new ATOM 0 HA2 GLY A 82 36.877 4.775 38.291 1.00 0.00 H new ATOM 0 HA3 GLY A 82 36.759 4.950 40.031 1.00 0.00 H new ATOM 571 N ALA A 83 38.632 7.138 39.822 1.00 0.00 N ATOM 572 CA ALA A 83 39.004 8.538 39.780 1.00 0.00 C ATOM 573 C ALA A 83 39.337 8.947 38.353 1.00 0.00 C ATOM 574 O ALA A 83 38.623 9.769 37.785 1.00 0.00 O ATOM 575 CB ALA A 83 40.197 8.773 40.702 1.00 0.00 C ATOM 0 H ALA A 83 39.163 6.585 40.494 1.00 0.00 H new ATOM 0 HA ALA A 83 38.168 9.148 40.122 1.00 0.00 H new ATOM 0 HB1 ALA A 83 40.478 9.826 40.672 1.00 0.00 H new ATOM 0 HB2 ALA A 83 39.928 8.498 41.722 1.00 0.00 H new ATOM 0 HB3 ALA A 83 41.038 8.163 40.372 1.00 0.00 H new ATOM 578 N LYS A 84 40.423 8.384 37.804 1.00 0.00 N ATOM 579 CA LYS A 84 40.867 8.679 36.442 1.00 0.00 C ATOM 580 C LYS A 84 39.686 8.691 35.479 1.00 0.00 C ATOM 581 O LYS A 84 39.656 9.461 34.524 1.00 0.00 O ATOM 582 CB LYS A 84 41.902 7.642 36.013 1.00 0.00 C ATOM 0 H LYS A 84 41.015 7.713 38.294 1.00 0.00 H new ATOM 0 HA LYS A 84 41.321 9.670 36.421 1.00 0.00 H new ATOM 585 N GLY A 85 38.736 7.807 35.768 1.00 0.00 N ATOM 586 CA GLY A 85 37.512 7.719 34.994 1.00 0.00 C ATOM 587 C GLY A 85 36.907 9.116 34.975 1.00 0.00 C ATOM 588 O GLY A 85 36.866 9.769 33.935 1.00 0.00 O ATOM 0 H GLY A 85 38.795 7.140 36.538 1.00 0.00 H new ATOM 0 HA2 GLY A 85 37.718 7.372 33.981 1.00 0.00 H new ATOM 0 HA3 GLY A 85 36.822 7.004 35.441 1.00 0.00 H new ATOM 592 N LYS A 86 36.452 9.548 36.152 1.00 0.00 N ATOM 593 CA LYS A 86 35.894 10.875 36.328 1.00 0.00 C ATOM 594 C LYS A 86 36.808 11.938 35.719 1.00 0.00 C ATOM 595 O LYS A 86 36.334 12.814 35.000 1.00 0.00 O ATOM 596 CB LYS A 86 35.681 11.139 37.816 1.00 0.00 C ATOM 0 H LYS A 86 36.463 8.985 37.002 1.00 0.00 H new ATOM 0 HA LYS A 86 34.936 10.928 35.811 1.00 0.00 H new ATOM 599 N ALA A 87 38.112 11.858 36.008 1.00 0.00 N ATOM 600 CA ALA A 87 39.082 12.822 35.512 1.00 0.00 C ATOM 601 C ALA A 87 38.975 12.990 34.002 1.00 0.00 C ATOM 602 O ALA A 87 38.848 14.108 33.501 1.00 0.00 O ATOM 603 CB ALA A 87 40.486 12.370 35.903 1.00 0.00 C ATOM 0 H ALA A 87 38.516 11.124 36.590 1.00 0.00 H new ATOM 0 HA ALA A 87 38.873 13.792 35.963 1.00 0.00 H new ATOM 0 HB1 ALA A 87 41.216 13.090 35.533 1.00 0.00 H new ATOM 0 HB2 ALA A 87 40.558 12.305 36.989 1.00 0.00 H new ATOM 0 HB3 ALA A 87 40.688 11.392 35.467 1.00 0.00 H new ATOM 606 N MET A 88 39.024 11.867 33.285 1.00 0.00 N ATOM 607 CA MET A 88 38.924 11.874 31.842 1.00 0.00 C ATOM 608 C MET A 88 37.619 12.562 31.486 1.00 0.00 C ATOM 609 O MET A 88 37.555 13.311 30.518 1.00 0.00 O ATOM 610 CB MET A 88 38.952 10.442 31.317 1.00 0.00 C ATOM 0 H MET A 88 39.133 10.938 33.693 1.00 0.00 H new ATOM 0 HA MET A 88 39.761 12.405 31.388 1.00 0.00 H new ATOM 613 N HIS A 89 36.587 12.306 32.293 1.00 0.00 N ATOM 614 CA HIS A 89 35.285 12.927 32.106 1.00 0.00 C ATOM 615 C HIS A 89 35.390 14.448 32.246 1.00 0.00 C ATOM 616 O HIS A 89 34.775 15.181 31.475 1.00 0.00 O ATOM 617 CB HIS A 89 34.301 12.359 33.125 1.00 0.00 C ATOM 0 H HIS A 89 36.635 11.667 33.087 1.00 0.00 H new ATOM 0 HA HIS A 89 34.924 12.707 31.101 1.00 0.00 H new ATOM 620 N GLU A 90 36.145 14.901 33.253 1.00 0.00 N ATOM 621 CA GLU A 90 36.351 16.330 33.476 1.00 0.00 C ATOM 622 C GLU A 90 36.804 16.986 32.171 1.00 0.00 C ATOM 623 O GLU A 90 36.336 18.057 31.792 1.00 0.00 O ATOM 624 CB GLU A 90 37.393 16.527 34.573 1.00 0.00 C ATOM 0 H GLU A 90 36.621 14.297 33.923 1.00 0.00 H new ATOM 0 HA GLU A 90 35.419 16.797 33.795 1.00 0.00 H new ATOM 627 N ALA A 91 37.716 16.290 31.495 1.00 0.00 N ATOM 628 CA ALA A 91 38.222 16.749 30.202 1.00 0.00 C ATOM 629 C ALA A 91 37.160 16.516 29.118 1.00 0.00 C ATOM 630 O ALA A 91 37.023 17.287 28.171 1.00 0.00 O ATOM 631 CB ALA A 91 39.514 16.009 29.875 1.00 0.00 C ATOM 0 H ALA A 91 38.118 15.410 31.819 1.00 0.00 H new ATOM 0 HA ALA A 91 38.436 17.817 30.243 1.00 0.00 H new ATOM 0 HB1 ALA A 91 39.894 16.349 28.912 1.00 0.00 H new ATOM 0 HB2 ALA A 91 40.255 16.211 30.649 1.00 0.00 H new ATOM 0 HB3 ALA A 91 39.318 14.938 29.830 1.00 0.00 H new ATOM 634 N GLY A 92 36.416 15.429 29.312 1.00 0.00 N ATOM 635 CA GLY A 92 35.350 15.023 28.419 1.00 0.00 C ATOM 636 C GLY A 92 34.341 16.153 28.256 1.00 0.00 C ATOM 637 O GLY A 92 34.183 16.699 27.164 1.00 0.00 O ATOM 0 H GLY A 92 36.544 14.802 30.106 1.00 0.00 H new ATOM 0 HA2 GLY A 92 35.763 14.752 27.448 1.00 0.00 H new ATOM 0 HA3 GLY A 92 34.853 14.136 28.813 1.00 0.00 H new ATOM 641 N GLY A 93 33.656 16.512 29.345 1.00 0.00 N ATOM 642 CA GLY A 93 32.661 17.562 29.325 1.00 0.00 C ATOM 643 C GLY A 93 33.315 18.911 29.076 1.00 0.00 C ATOM 644 O GLY A 93 32.742 19.752 28.391 1.00 0.00 O ATOM 0 H GLY A 93 33.783 16.077 30.259 1.00 0.00 H new ATOM 0 HA2 GLY A 93 31.925 17.359 28.547 1.00 0.00 H new ATOM 0 HA3 GLY A 93 32.125 17.581 30.274 1.00 0.00 H new ATOM 648 N ALA A 94 34.512 19.127 29.628 1.00 0.00 N ATOM 649 CA ALA A 94 35.224 20.375 29.448 1.00 0.00 C ATOM 650 C ALA A 94 35.399 20.668 27.964 1.00 0.00 C ATOM 651 O ALA A 94 35.301 21.820 27.546 1.00 0.00 O ATOM 652 CB ALA A 94 36.579 20.288 30.143 1.00 0.00 C ATOM 0 H ALA A 94 35.003 18.444 30.205 1.00 0.00 H new ATOM 0 HA ALA A 94 34.650 21.189 29.890 1.00 0.00 H new ATOM 0 HB1 ALA A 94 37.117 21.226 30.009 1.00 0.00 H new ATOM 0 HB2 ALA A 94 36.431 20.103 31.207 1.00 0.00 H new ATOM 0 HB3 ALA A 94 37.158 19.472 29.710 1.00 0.00 H new ATOM 655 N VAL A 95 35.649 19.628 27.164 1.00 0.00 N ATOM 656 CA VAL A 95 35.831 19.785 25.735 1.00 0.00 C ATOM 657 C VAL A 95 34.483 20.046 25.081 1.00 0.00 C ATOM 658 O VAL A 95 34.375 20.892 24.197 1.00 0.00 O ATOM 659 CB VAL A 95 36.474 18.524 25.165 1.00 0.00 C ATOM 0 H VAL A 95 35.729 18.666 27.493 1.00 0.00 H new ATOM 0 HA VAL A 95 36.486 20.632 25.532 1.00 0.00 H new ATOM 662 N ILE A 96 33.457 19.313 25.521 1.00 0.00 N ATOM 663 CA ILE A 96 32.118 19.485 24.987 1.00 0.00 C ATOM 664 C ILE A 96 31.705 20.945 25.139 1.00 0.00 C ATOM 665 O ILE A 96 31.294 21.588 24.176 1.00 0.00 O ATOM 666 CB ILE A 96 31.152 18.567 25.730 1.00 0.00 C ATOM 0 H ILE A 96 33.535 18.598 26.244 1.00 0.00 H new ATOM 0 HA ILE A 96 32.098 19.222 23.929 1.00 0.00 H new ATOM 669 N ALA A 97 31.834 21.461 26.363 1.00 0.00 N ATOM 670 CA ALA A 97 31.495 22.838 26.659 1.00 0.00 C ATOM 671 C ALA A 97 32.292 23.766 25.752 1.00 0.00 C ATOM 672 O ALA A 97 31.723 24.632 25.091 1.00 0.00 O ATOM 673 CB ALA A 97 31.794 23.130 28.127 1.00 0.00 C ATOM 0 H ALA A 97 32.175 20.933 27.166 1.00 0.00 H new ATOM 0 HA ALA A 97 30.433 23.005 26.479 1.00 0.00 H new ATOM 0 HB1 ALA A 97 31.539 24.166 28.351 1.00 0.00 H new ATOM 0 HB2 ALA A 97 31.203 22.466 28.758 1.00 0.00 H new ATOM 0 HB3 ALA A 97 32.854 22.967 28.322 1.00 0.00 H new ATOM 676 N ALA A 98 33.614 23.577 25.719 1.00 0.00 N ATOM 677 CA ALA A 98 34.488 24.389 24.895 1.00 0.00 C ATOM 678 C ALA A 98 34.023 24.341 23.446 1.00 0.00 C ATOM 679 O ALA A 98 34.082 25.345 22.739 1.00 0.00 O ATOM 680 CB ALA A 98 35.920 23.877 25.019 1.00 0.00 C ATOM 0 H ALA A 98 34.097 22.861 26.261 1.00 0.00 H new ATOM 0 HA ALA A 98 34.454 25.425 25.233 1.00 0.00 H new ATOM 0 HB1 ALA A 98 36.579 24.486 24.400 1.00 0.00 H new ATOM 0 HB2 ALA A 98 36.240 23.939 26.059 1.00 0.00 H new ATOM 0 HB3 ALA A 98 35.966 22.840 24.686 1.00 0.00 H new ATOM 683 N ALA A 99 33.553 23.170 23.010 1.00 0.00 N ATOM 684 CA ALA A 99 33.076 22.991 21.654 1.00 0.00 C ATOM 685 C ALA A 99 31.980 24.006 21.369 1.00 0.00 C ATOM 686 O ALA A 99 32.036 24.721 20.371 1.00 0.00 O ATOM 687 CB ALA A 99 32.555 21.567 21.483 1.00 0.00 C ATOM 0 H ALA A 99 33.496 22.331 23.588 1.00 0.00 H new ATOM 0 HA ALA A 99 33.890 23.149 20.947 1.00 0.00 H new ATOM 0 HB1 ALA A 99 32.196 21.431 20.463 1.00 0.00 H new ATOM 0 HB2 ALA A 99 33.359 20.859 21.682 1.00 0.00 H new ATOM 0 HB3 ALA A 99 31.737 21.392 22.182 1.00 0.00 H new ATOM 690 N ASN A 100 30.983 24.071 22.255 1.00 0.00 N ATOM 691 CA ASN A 100 29.883 25.002 22.101 1.00 0.00 C ATOM 692 C ASN A 100 30.359 26.409 22.433 1.00 0.00 C ATOM 693 O ASN A 100 30.166 27.333 21.646 1.00 0.00 O ATOM 694 CB ASN A 100 28.736 24.588 23.019 1.00 0.00 C ATOM 0 H ASN A 100 30.923 23.484 23.087 1.00 0.00 H new ATOM 0 HA ASN A 100 29.527 24.990 21.071 1.00 0.00 H new ATOM 697 N ALA A 101 30.988 26.567 23.600 1.00 0.00 N ATOM 698 CA ALA A 101 31.495 27.854 24.033 1.00 0.00 C ATOM 699 C ALA A 101 32.435 28.415 22.976 1.00 0.00 C ATOM 700 O ALA A 101 32.575 29.630 22.848 1.00 0.00 O ATOM 701 CB ALA A 101 32.219 27.690 25.366 1.00 0.00 C ATOM 0 H ALA A 101 31.155 25.808 24.261 1.00 0.00 H new ATOM 0 HA ALA A 101 30.668 28.552 24.166 1.00 0.00 H new ATOM 0 HB1 ALA A 101 32.601 28.657 25.694 1.00 0.00 H new ATOM 0 HB2 ALA A 101 31.525 27.302 26.112 1.00 0.00 H new ATOM 0 HB3 ALA A 101 33.049 26.993 25.246 1.00 0.00 H new ATOM 704 N GLY A 102 33.072 27.526 22.211 1.00 0.00 N ATOM 705 CA GLY A 102 33.991 27.928 21.166 1.00 0.00 C ATOM 706 C GLY A 102 35.322 28.368 21.761 1.00 0.00 C ATOM 707 O GLY A 102 36.091 29.063 21.100 1.00 0.00 O ATOM 0 H GLY A 102 32.961 26.516 22.304 1.00 0.00 H new ATOM 0 HA2 GLY A 102 34.151 27.099 20.477 1.00 0.00 H new ATOM 0 HA3 GLY A 102 33.558 28.744 20.588 1.00 0.00 H new ATOM 711 N ASP A 103 35.589 27.963 23.007 1.00 0.00 N ATOM 712 CA ASP A 103 36.822 28.304 23.693 1.00 0.00 C ATOM 713 C ASP A 103 37.910 27.319 23.291 1.00 0.00 C ATOM 714 O ASP A 103 38.131 26.323 23.976 1.00 0.00 O ATOM 715 CB ASP A 103 36.587 28.255 25.200 1.00 0.00 C ATOM 0 H ASP A 103 34.952 27.390 23.561 1.00 0.00 H new ATOM 0 HA ASP A 103 37.139 29.310 23.417 1.00 0.00 H new ATOM 718 N GLY A 104 38.590 27.599 22.177 1.00 0.00 N ATOM 719 CA GLY A 104 39.643 26.737 21.679 1.00 0.00 C ATOM 720 C GLY A 104 40.746 26.539 22.711 1.00 0.00 C ATOM 721 O GLY A 104 41.434 25.519 22.691 1.00 0.00 O ATOM 0 H GLY A 104 38.421 28.426 21.604 1.00 0.00 H new ATOM 0 HA2 GLY A 104 39.222 25.769 21.406 1.00 0.00 H new ATOM 0 HA3 GLY A 104 40.067 27.167 20.772 1.00 0.00 H new ATOM 725 N ALA A 105 40.910 27.497 23.629 1.00 0.00 N ATOM 726 CA ALA A 105 41.927 27.421 24.659 1.00 0.00 C ATOM 727 C ALA A 105 41.385 26.524 25.761 1.00 0.00 C ATOM 728 O ALA A 105 42.132 25.816 26.432 1.00 0.00 O ATOM 729 CB ALA A 105 42.218 28.822 25.191 1.00 0.00 C ATOM 0 H ALA A 105 40.339 28.341 23.671 1.00 0.00 H new ATOM 0 HA ALA A 105 42.859 27.012 24.269 1.00 0.00 H new ATOM 0 HB1 ALA A 105 42.983 28.765 25.966 1.00 0.00 H new ATOM 0 HB2 ALA A 105 42.572 29.454 24.377 1.00 0.00 H new ATOM 0 HB3 ALA A 105 41.307 29.248 25.611 1.00 0.00 H new ATOM 732 N ALA A 106 40.060 26.570 25.926 1.00 0.00 N ATOM 733 CA ALA A 106 39.373 25.785 26.927 1.00 0.00 C ATOM 734 C ALA A 106 39.315 24.336 26.470 1.00 0.00 C ATOM 735 O ALA A 106 39.425 23.426 27.289 1.00 0.00 O ATOM 736 CB ALA A 106 37.969 26.346 27.136 1.00 0.00 C ATOM 0 H ALA A 106 39.443 27.156 25.364 1.00 0.00 H new ATOM 0 HA ALA A 106 39.908 25.832 27.876 1.00 0.00 H new ATOM 0 HB1 ALA A 106 37.450 25.755 27.891 1.00 0.00 H new ATOM 0 HB2 ALA A 106 38.037 27.382 27.469 1.00 0.00 H new ATOM 0 HB3 ALA A 106 37.416 26.303 26.197 1.00 0.00 H new ATOM 739 N PHE A 107 39.152 24.121 25.160 1.00 0.00 N ATOM 740 CA PHE A 107 39.083 22.790 24.591 1.00 0.00 C ATOM 741 C PHE A 107 40.486 22.220 24.437 1.00 0.00 C ATOM 742 O PHE A 107 40.661 21.004 24.431 1.00 0.00 O ATOM 743 CB PHE A 107 38.381 22.859 23.238 1.00 0.00 C ATOM 0 H PHE A 107 39.065 24.870 24.473 1.00 0.00 H new ATOM 0 HA PHE A 107 38.517 22.135 25.253 1.00 0.00 H new ATOM 746 N GLY A 108 41.487 23.097 24.321 1.00 0.00 N ATOM 747 CA GLY A 108 42.864 22.664 24.187 1.00 0.00 C ATOM 748 C GLY A 108 43.371 22.232 25.557 1.00 0.00 C ATOM 749 O GLY A 108 43.948 21.155 25.709 1.00 0.00 O ATOM 0 H GLY A 108 41.361 24.109 24.318 1.00 0.00 H new ATOM 0 HA2 GLY A 108 42.934 21.838 23.480 1.00 0.00 H new ATOM 0 HA3 GLY A 108 43.479 23.473 23.794 1.00 0.00 H new ATOM 753 N ALA A 109 43.117 23.069 26.565 1.00 0.00 N ATOM 754 CA ALA A 109 43.526 22.774 27.921 1.00 0.00 C ATOM 755 C ALA A 109 42.650 21.634 28.412 1.00 0.00 C ATOM 756 O ALA A 109 43.086 20.795 29.197 1.00 0.00 O ATOM 757 CB ALA A 109 43.350 24.016 28.791 1.00 0.00 C ATOM 0 H ALA A 109 42.628 23.957 26.457 1.00 0.00 H new ATOM 0 HA ALA A 109 44.576 22.486 27.969 1.00 0.00 H new ATOM 0 HB1 ALA A 109 43.659 23.792 29.812 1.00 0.00 H new ATOM 0 HB2 ALA A 109 43.963 24.826 28.396 1.00 0.00 H new ATOM 0 HB3 ALA A 109 42.303 24.318 28.787 1.00 0.00 H new ATOM 760 N ALA A 110 41.409 21.606 27.922 1.00 0.00 N ATOM 761 CA ALA A 110 40.465 20.571 28.277 1.00 0.00 C ATOM 762 C ALA A 110 40.961 19.230 27.754 1.00 0.00 C ATOM 763 O ALA A 110 41.153 18.292 28.528 1.00 0.00 O ATOM 764 CB ALA A 110 39.096 20.906 27.691 1.00 0.00 C ATOM 0 H ALA A 110 41.042 22.301 27.272 1.00 0.00 H new ATOM 0 HA ALA A 110 40.373 20.510 29.361 1.00 0.00 H new ATOM 0 HB1 ALA A 110 38.384 20.125 27.959 1.00 0.00 H new ATOM 0 HB2 ALA A 110 38.754 21.861 28.089 1.00 0.00 H new ATOM 0 HB3 ALA A 110 39.171 20.971 26.606 1.00 0.00 H new ATOM 767 N LEU A 111 41.178 19.125 26.439 1.00 0.00 N ATOM 768 CA LEU A 111 41.626 17.900 25.818 1.00 0.00 C ATOM 769 C LEU A 111 42.980 17.450 26.338 1.00 0.00 C ATOM 770 O LEU A 111 43.269 16.256 26.301 1.00 0.00 O ATOM 771 CB LEU A 111 41.676 18.095 24.305 1.00 0.00 C ATOM 0 H LEU A 111 41.044 19.896 25.784 1.00 0.00 H new ATOM 0 HA LEU A 111 40.915 17.114 26.071 1.00 0.00 H new ATOM 774 N GLN A 112 43.822 18.366 26.829 1.00 0.00 N ATOM 775 CA GLN A 112 45.118 17.998 27.358 1.00 0.00 C ATOM 776 C GLN A 112 44.870 17.386 28.724 1.00 0.00 C ATOM 777 O GLN A 112 45.580 16.475 29.141 1.00 0.00 O ATOM 778 CB GLN A 112 45.997 19.241 27.467 1.00 0.00 C ATOM 0 H GLN A 112 43.619 19.365 26.866 1.00 0.00 H new ATOM 0 HA GLN A 112 45.633 17.288 26.711 1.00 0.00 H new ATOM 781 N LYS A 113 43.842 17.888 29.413 1.00 0.00 N ATOM 782 CA LYS A 113 43.465 17.361 30.707 1.00 0.00 C ATOM 783 C LYS A 113 43.162 15.885 30.508 1.00 0.00 C ATOM 784 O LYS A 113 43.604 15.039 31.284 1.00 0.00 O ATOM 785 CB LYS A 113 42.241 18.109 31.227 1.00 0.00 C ATOM 0 H LYS A 113 43.261 18.660 29.087 1.00 0.00 H new ATOM 0 HA LYS A 113 44.260 17.486 31.442 1.00 0.00 H new ATOM 788 N LEU A 114 42.427 15.583 29.435 1.00 0.00 N ATOM 789 CA LEU A 114 42.094 14.213 29.097 1.00 0.00 C ATOM 790 C LEU A 114 43.335 13.534 28.536 1.00 0.00 C ATOM 791 O LEU A 114 43.479 12.317 28.632 1.00 0.00 O ATOM 792 CB LEU A 114 40.973 14.196 28.061 1.00 0.00 C ATOM 0 H LEU A 114 42.054 16.278 28.788 1.00 0.00 H new ATOM 0 HA LEU A 114 41.755 13.681 29.986 1.00 0.00 H new ATOM 795 N GLY A 115 44.235 14.332 27.955 1.00 0.00 N ATOM 796 CA GLY A 115 45.453 13.817 27.367 1.00 0.00 C ATOM 797 C GLY A 115 46.339 13.184 28.430 1.00 0.00 C ATOM 798 O GLY A 115 46.686 12.009 28.327 1.00 0.00 O ATOM 0 H GLY A 115 44.132 15.344 27.884 1.00 0.00 H new ATOM 0 HA2 GLY A 115 45.210 13.079 26.603 1.00 0.00 H new ATOM 0 HA3 GLY A 115 45.992 14.624 26.871 1.00 0.00 H new ATOM 802 N GLY A 116 46.707 13.960 29.453 1.00 0.00 N ATOM 803 CA GLY A 116 47.569 13.483 30.516 1.00 0.00 C ATOM 804 C GLY A 116 46.796 12.637 31.517 1.00 0.00 C ATOM 805 O GLY A 116 47.396 11.878 32.274 1.00 0.00 O ATOM 0 H GLY A 116 46.413 14.931 29.560 1.00 0.00 H new ATOM 0 HA2 GLY A 116 48.382 12.895 30.091 1.00 0.00 H new ATOM 0 HA3 GLY A 116 48.023 14.332 31.028 1.00 0.00 H new ATOM 809 N THR A 117 45.466 12.762 31.527 1.00 0.00 N ATOM 810 CA THR A 117 44.647 11.989 32.436 1.00 0.00 C ATOM 811 C THR A 117 44.728 10.521 32.040 1.00 0.00 C ATOM 812 O THR A 117 45.112 9.677 32.847 1.00 0.00 O ATOM 813 CB THR A 117 43.206 12.489 32.385 1.00 0.00 C ATOM 0 H THR A 117 44.945 13.390 30.915 1.00 0.00 H new ATOM 0 HA THR A 117 45.008 12.103 33.458 1.00 0.00 H new ATOM 816 N CYS A 118 44.373 10.222 30.788 1.00 0.00 N ATOM 817 CA CYS A 118 44.414 8.864 30.282 1.00 0.00 C ATOM 818 C CYS A 118 45.852 8.367 30.269 1.00 0.00 C ATOM 819 O CYS A 118 46.131 7.257 30.718 1.00 0.00 O ATOM 820 CB CYS A 118 43.818 8.827 28.878 1.00 0.00 C ATOM 0 H CYS A 118 44.053 10.913 30.109 1.00 0.00 H new ATOM 0 HA CYS A 118 43.827 8.211 30.928 1.00 0.00 H new ATOM 823 N LYS A 119 46.768 9.192 29.756 1.00 0.00 N ATOM 824 CA LYS A 119 48.171 8.833 29.690 1.00 0.00 C ATOM 825 C LYS A 119 48.676 8.487 31.083 1.00 0.00 C ATOM 826 O LYS A 119 49.294 7.444 31.282 1.00 0.00 O ATOM 827 CB LYS A 119 48.963 9.997 29.102 1.00 0.00 C ATOM 0 H LYS A 119 46.553 10.116 29.381 1.00 0.00 H new ATOM 0 HA LYS A 119 48.301 7.961 29.049 1.00 0.00 H new ATOM 830 N ALA A 120 48.405 9.368 32.049 1.00 0.00 N ATOM 831 CA ALA A 120 48.828 9.163 33.420 1.00 0.00 C ATOM 832 C ALA A 120 48.297 7.834 33.937 1.00 0.00 C ATOM 833 O ALA A 120 49.011 7.104 34.620 1.00 0.00 O ATOM 834 CB ALA A 120 48.323 10.317 34.282 1.00 0.00 C ATOM 0 H ALA A 120 47.890 10.235 31.896 1.00 0.00 H new ATOM 0 HA ALA A 120 49.917 9.136 33.466 1.00 0.00 H new ATOM 0 HB1 ALA A 120 48.639 10.166 35.314 1.00 0.00 H new ATOM 0 HB2 ALA A 120 48.734 11.256 33.910 1.00 0.00 H new ATOM 0 HB3 ALA A 120 47.235 10.355 34.238 1.00 0.00 H new ATOM 837 N CYS A 121 47.041 7.521 33.607 1.00 0.00 N ATOM 838 CA CYS A 121 46.418 6.285 34.037 1.00 0.00 C ATOM 839 C CYS A 121 47.274 5.098 33.617 1.00 0.00 C ATOM 840 O CYS A 121 47.539 4.206 34.420 1.00 0.00 O ATOM 841 CB CYS A 121 45.022 6.184 33.429 1.00 0.00 C ATOM 0 H CYS A 121 46.439 8.117 33.039 1.00 0.00 H new ATOM 0 HA CYS A 121 46.332 6.277 35.124 1.00 0.00 H new ATOM 844 N HIS A 122 47.712 5.093 32.356 1.00 0.00 N ATOM 845 CA HIS A 122 48.536 4.022 31.835 1.00 0.00 C ATOM 846 C HIS A 122 49.934 4.112 32.431 1.00 0.00 C ATOM 847 O HIS A 122 50.559 3.093 32.714 1.00 0.00 O ATOM 848 CB HIS A 122 48.591 4.120 30.313 1.00 0.00 C ATOM 0 H HIS A 122 47.503 5.828 31.680 1.00 0.00 H new ATOM 0 HA HIS A 122 48.106 3.059 32.110 1.00 0.00 H new ATOM 851 N ASP A 123 50.419 5.340 32.630 1.00 0.00 N ATOM 852 CA ASP A 123 51.737 5.562 33.189 1.00 0.00 C ATOM 853 C ASP A 123 51.781 5.065 34.627 1.00 0.00 C ATOM 854 O ASP A 123 52.844 4.701 35.126 1.00 0.00 O ATOM 855 CB ASP A 123 52.069 7.050 33.123 1.00 0.00 C ATOM 0 H ASP A 123 49.908 6.195 32.408 1.00 0.00 H new ATOM 0 HA ASP A 123 52.478 5.008 32.613 1.00 0.00 H new ATOM 858 N ASP A 124 50.619 5.041 35.286 1.00 0.00 N ATOM 859 CA ASP A 124 50.521 4.597 36.663 1.00 0.00 C ATOM 860 C ASP A 124 50.514 3.076 36.720 1.00 0.00 C ATOM 861 O ASP A 124 51.455 2.469 37.228 1.00 0.00 O ATOM 862 CB ASP A 124 49.247 5.162 37.285 1.00 0.00 C ATOM 0 H ASP A 124 49.730 5.328 34.876 1.00 0.00 H new ATOM 0 HA ASP A 124 51.382 4.957 37.226 1.00 0.00 H new ATOM 865 N TYR A 125 49.448 2.463 36.201 1.00 0.00 N ATOM 866 CA TYR A 125 49.313 1.019 36.200 1.00 0.00 C ATOM 867 C TYR A 125 50.178 0.410 35.105 1.00 0.00 C ATOM 868 O TYR A 125 51.141 -0.297 35.395 1.00 0.00 O ATOM 869 CB TYR A 125 47.847 0.648 35.996 1.00 0.00 C ATOM 0 H TYR A 125 48.664 2.956 35.774 1.00 0.00 H new ATOM 0 HA TYR A 125 49.650 0.623 37.158 1.00 0.00 H new ATOM 872 N ARG A 126 49.829 0.680 33.845 1.00 0.00 N ATOM 873 CA ARG A 126 50.570 0.152 32.716 1.00 0.00 C ATOM 874 C ARG A 126 52.037 0.541 32.829 1.00 0.00 C ATOM 875 O ARG A 126 52.389 1.419 33.613 1.00 0.00 O ATOM 876 CB ARG A 126 49.965 0.680 31.418 1.00 0.00 C ATOM 0 H ARG A 126 49.033 1.264 33.589 1.00 0.00 H new ATOM 0 HA ARG A 126 50.506 -0.936 32.713 1.00 0.00 H new ATOM 879 N GLU A 127 52.890 -0.121 32.043 1.00 0.00 N ATOM 880 CA GLU A 127 54.315 0.147 32.052 1.00 0.00 C ATOM 881 C GLU A 127 55.032 -0.873 31.178 1.00 0.00 C ATOM 882 O GLU A 127 54.398 -1.758 30.608 1.00 0.00 O ATOM 883 CB GLU A 127 54.839 0.085 33.484 1.00 0.00 C ATOM 0 H GLU A 127 52.607 -0.851 31.390 1.00 0.00 H new ATOM 0 HA GLU A 127 54.503 1.144 31.653 1.00 0.00 H new ATOM 886 N GLU A 128 56.357 -0.747 31.077 1.00 0.00 N ATOM 887 CA GLU A 128 57.155 -1.656 30.278 1.00 0.00 C ATOM 888 C GLU A 128 56.632 -1.687 28.850 1.00 0.00 C ATOM 889 O GLU A 128 56.246 -2.742 28.351 1.00 0.00 O ATOM 890 CB GLU A 128 57.113 -3.048 30.900 1.00 0.00 C ATOM 0 H GLU A 128 56.895 -0.017 31.545 1.00 0.00 H new ATOM 0 HA GLU A 128 58.189 -1.313 30.255 1.00 0.00 H new ATOM 893 N ASP A 129 56.618 -0.525 28.192 1.00 0.00 N ATOM 894 CA ASP A 129 56.143 -0.425 26.826 1.00 0.00 C ATOM 895 C ASP A 129 57.000 -1.295 25.918 1.00 0.00 C ATOM 896 O ASP A 129 58.234 -1.104 25.948 1.00 0.00 O ATOM 897 CB ASP A 129 56.187 1.033 26.379 1.00 0.00 C ATOM 0 H ASP A 129 56.933 0.358 28.593 1.00 0.00 H new ATOM 0 HA ASP A 129 55.113 -0.778 26.767 1.00 0.00 H new TER 900 ASP A 129 HETATM 901 FE HEM A 130 43.130 4.462 28.595 1.00 0.00 FE