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 32.887 -13.489 21.467 1.00 0.00 N ATOM 2 CA ALA A 1 33.973 -12.904 22.228 1.00 0.00 C ATOM 3 C ALA A 1 34.262 -13.775 23.442 1.00 0.00 C ATOM 4 O ALA A 1 34.154 -13.318 24.577 1.00 0.00 O ATOM 5 CB ALA A 1 35.206 -12.788 21.336 1.00 0.00 C ATOM 0 H1 ALA A 1 32.687 -12.896 20.636 1.00 0.00 H new ATOM 0 H2 ALA A 1 33.157 -14.443 21.154 1.00 0.00 H new ATOM 0 H3 ALA A 1 32.037 -13.548 22.064 1.00 0.00 H new ATOM 0 HA ALA A 1 33.698 -11.907 22.573 1.00 0.00 H new ATOM 0 HB1 ALA A 1 36.026 -12.348 21.904 1.00 0.00 H new ATOM 0 HB2 ALA A 1 35.497 -13.779 20.987 1.00 0.00 H new ATOM 0 HB3 ALA A 1 34.977 -12.154 20.479 1.00 0.00 H new ATOM 7 N ASP A 2 34.629 -15.035 23.199 1.00 0.00 N ATOM 8 CA ASP A 2 34.932 -15.965 24.268 1.00 0.00 C ATOM 9 C ASP A 2 36.291 -15.634 24.869 1.00 0.00 C ATOM 10 O ASP A 2 36.444 -15.615 26.089 1.00 0.00 O ATOM 11 CB ASP A 2 34.917 -17.389 23.720 1.00 0.00 C ATOM 0 H ASP A 2 34.721 -15.428 22.262 1.00 0.00 H new ATOM 0 HA ASP A 2 34.179 -15.882 25.052 1.00 0.00 H new ATOM 14 N THR A 3 37.276 -15.369 24.009 1.00 0.00 N ATOM 15 CA THR A 3 38.617 -15.043 24.451 1.00 0.00 C ATOM 16 C THR A 3 38.584 -13.867 25.417 1.00 0.00 C ATOM 17 O THR A 3 39.130 -13.950 26.515 1.00 0.00 O ATOM 18 CB THR A 3 39.484 -14.718 23.238 1.00 0.00 C ATOM 0 H THR A 3 37.160 -15.376 22.996 1.00 0.00 H new ATOM 0 HA THR A 3 39.043 -15.899 24.975 1.00 0.00 H new ATOM 21 N LYS A 4 37.939 -12.771 25.010 1.00 0.00 N ATOM 22 CA LYS A 4 37.848 -11.588 25.842 1.00 0.00 C ATOM 23 C LYS A 4 36.855 -10.601 25.243 1.00 0.00 C ATOM 24 O LYS A 4 37.253 -9.597 24.657 1.00 0.00 O ATOM 25 CB LYS A 4 39.229 -10.952 25.968 1.00 0.00 C ATOM 0 H LYS A 4 37.474 -12.687 24.106 1.00 0.00 H new ATOM 0 HA LYS A 4 37.494 -11.867 26.834 1.00 0.00 H new ATOM 28 N GLU A 5 35.560 -10.885 25.398 1.00 0.00 N ATOM 29 CA GLU A 5 34.519 -10.022 24.879 1.00 0.00 C ATOM 30 C GLU A 5 34.506 -8.708 25.649 1.00 0.00 C ATOM 31 O GLU A 5 34.599 -7.637 25.055 1.00 0.00 O ATOM 32 CB GLU A 5 33.170 -10.727 24.997 1.00 0.00 C ATOM 0 H GLU A 5 35.215 -11.713 25.883 1.00 0.00 H new ATOM 0 HA GLU A 5 34.713 -9.805 23.829 1.00 0.00 H new ATOM 35 N VAL A 6 34.392 -8.796 26.976 1.00 0.00 N ATOM 36 CA VAL A 6 34.362 -7.621 27.825 1.00 0.00 C ATOM 37 C VAL A 6 35.638 -6.812 27.650 1.00 0.00 C ATOM 38 O VAL A 6 35.601 -5.584 27.686 1.00 0.00 O ATOM 39 CB VAL A 6 34.188 -8.051 29.279 1.00 0.00 C ATOM 0 H VAL A 6 34.319 -9.679 27.481 1.00 0.00 H new ATOM 0 HA VAL A 6 33.521 -6.989 27.541 1.00 0.00 H new ATOM 42 N LEU A 7 36.767 -7.495 27.449 1.00 0.00 N ATOM 43 CA LEU A 7 38.037 -6.822 27.264 1.00 0.00 C ATOM 44 C LEU A 7 38.035 -6.123 25.913 1.00 0.00 C ATOM 45 O LEU A 7 38.346 -4.939 25.832 1.00 0.00 O ATOM 46 CB LEU A 7 39.170 -7.840 27.348 1.00 0.00 C ATOM 0 H LEU A 7 36.819 -8.513 27.412 1.00 0.00 H new ATOM 0 HA LEU A 7 38.187 -6.077 28.046 1.00 0.00 H new ATOM 49 N GLU A 8 37.687 -6.873 24.864 1.00 0.00 N ATOM 50 CA GLU A 8 37.627 -6.350 23.510 1.00 0.00 C ATOM 51 C GLU A 8 36.834 -5.049 23.458 1.00 0.00 C ATOM 52 O GLU A 8 37.276 -4.072 22.855 1.00 0.00 O ATOM 53 CB GLU A 8 37.000 -7.397 22.593 1.00 0.00 C ATOM 0 H GLU A 8 37.440 -7.860 24.937 1.00 0.00 H new ATOM 0 HA GLU A 8 38.640 -6.131 23.172 1.00 0.00 H new ATOM 56 N ALA A 9 35.665 -5.023 24.102 1.00 0.00 N ATOM 57 CA ALA A 9 34.840 -3.836 24.126 1.00 0.00 C ATOM 58 C ALA A 9 35.651 -2.740 24.788 1.00 0.00 C ATOM 59 O ALA A 9 35.694 -1.614 24.299 1.00 0.00 O ATOM 60 CB ALA A 9 33.553 -4.115 24.896 1.00 0.00 C ATOM 0 H ALA A 9 35.277 -5.817 24.611 1.00 0.00 H new ATOM 0 HA ALA A 9 34.555 -3.530 23.119 1.00 0.00 H new ATOM 0 HB1 ALA A 9 32.936 -3.217 24.911 1.00 0.00 H new ATOM 0 HB2 ALA A 9 33.006 -4.923 24.410 1.00 0.00 H new ATOM 0 HB3 ALA A 9 33.796 -4.405 25.918 1.00 0.00 H new ATOM 63 N ARG A 10 36.310 -3.078 25.898 1.00 0.00 N ATOM 64 CA ARG A 10 37.153 -2.135 26.595 1.00 0.00 C ATOM 65 C ARG A 10 38.235 -1.657 25.640 1.00 0.00 C ATOM 66 O ARG A 10 38.696 -0.522 25.744 1.00 0.00 O ATOM 67 CB ARG A 10 37.766 -2.810 27.819 1.00 0.00 C ATOM 0 H ARG A 10 36.269 -4.003 26.326 1.00 0.00 H new ATOM 0 HA ARG A 10 36.571 -1.278 26.934 1.00 0.00 H new ATOM 70 N GLU A 11 38.635 -2.514 24.693 1.00 0.00 N ATOM 71 CA GLU A 11 39.652 -2.141 23.733 1.00 0.00 C ATOM 72 C GLU A 11 39.102 -0.981 22.920 1.00 0.00 C ATOM 73 O GLU A 11 39.820 -0.037 22.596 1.00 0.00 O ATOM 74 CB GLU A 11 39.978 -3.333 22.838 1.00 0.00 C ATOM 0 H GLU A 11 38.268 -3.459 24.580 1.00 0.00 H new ATOM 0 HA GLU A 11 40.575 -1.842 24.230 1.00 0.00 H new ATOM 77 N ALA A 12 37.807 -1.059 22.615 1.00 0.00 N ATOM 78 CA ALA A 12 37.124 -0.032 21.850 1.00 0.00 C ATOM 79 C ALA A 12 37.030 1.237 22.686 1.00 0.00 C ATOM 80 O ALA A 12 37.254 2.336 22.183 1.00 0.00 O ATOM 81 CB ALA A 12 35.730 -0.529 21.479 1.00 0.00 C ATOM 0 H ALA A 12 37.208 -1.837 22.893 1.00 0.00 H new ATOM 0 HA ALA A 12 37.677 0.187 20.937 1.00 0.00 H new ATOM 0 HB1 ALA A 12 35.211 0.238 20.904 1.00 0.00 H new ATOM 0 HB2 ALA A 12 35.814 -1.436 20.881 1.00 0.00 H new ATOM 0 HB3 ALA A 12 35.167 -0.745 22.387 1.00 0.00 H new ATOM 84 N TYR A 13 36.705 1.076 23.971 1.00 0.00 N ATOM 85 CA TYR A 13 36.586 2.198 24.880 1.00 0.00 C ATOM 86 C TYR A 13 37.921 2.924 24.963 1.00 0.00 C ATOM 87 O TYR A 13 37.966 4.123 25.234 1.00 0.00 O ATOM 88 CB TYR A 13 36.159 1.693 26.256 1.00 0.00 C ATOM 0 H TYR A 13 36.520 0.169 24.399 1.00 0.00 H new ATOM 0 HA TYR A 13 35.832 2.895 24.515 1.00 0.00 H new ATOM 91 N PHE A 14 39.009 2.194 24.702 1.00 0.00 N ATOM 92 CA PHE A 14 40.341 2.762 24.740 1.00 0.00 C ATOM 93 C PHE A 14 40.549 3.565 23.467 1.00 0.00 C ATOM 94 O PHE A 14 41.139 4.642 23.496 1.00 0.00 O ATOM 95 CB PHE A 14 41.370 1.642 24.853 1.00 0.00 C ATOM 0 H PHE A 14 38.983 1.203 24.462 1.00 0.00 H new ATOM 0 HA PHE A 14 40.459 3.416 25.604 1.00 0.00 H new ATOM 98 N LYS A 15 40.051 3.036 22.347 1.00 0.00 N ATOM 99 CA LYS A 15 40.158 3.706 21.068 1.00 0.00 C ATOM 100 C LYS A 15 39.293 4.958 21.089 1.00 0.00 C ATOM 101 O LYS A 15 39.601 5.941 20.419 1.00 0.00 O ATOM 102 CB LYS A 15 39.713 2.758 19.959 1.00 0.00 C ATOM 0 H LYS A 15 39.568 2.138 22.310 1.00 0.00 H new ATOM 0 HA LYS A 15 41.192 3.996 20.880 1.00 0.00 H new ATOM 105 N SER A 16 38.209 4.921 21.869 1.00 0.00 N ATOM 106 CA SER A 16 37.306 6.050 21.983 1.00 0.00 C ATOM 107 C SER A 16 38.019 7.205 22.672 1.00 0.00 C ATOM 108 O SER A 16 38.270 8.239 22.055 1.00 0.00 O ATOM 109 CB SER A 16 36.066 5.633 22.767 1.00 0.00 C ATOM 0 H SER A 16 37.942 4.112 22.431 1.00 0.00 H new ATOM 0 HA SER A 16 36.995 6.378 20.991 1.00 0.00 H new ATOM 112 N LEU A 17 38.341 7.034 23.956 1.00 0.00 N ATOM 113 CA LEU A 17 39.033 8.064 24.706 1.00 0.00 C ATOM 114 C LEU A 17 40.360 8.360 24.022 1.00 0.00 C ATOM 115 O LEU A 17 40.843 9.491 24.043 1.00 0.00 O ATOM 116 CB LEU A 17 39.254 7.588 26.139 1.00 0.00 C ATOM 0 H LEU A 17 38.131 6.191 24.490 1.00 0.00 H new ATOM 0 HA LEU A 17 38.438 8.977 24.737 1.00 0.00 H new ATOM 119 N GLY A 18 40.935 7.331 23.396 1.00 0.00 N ATOM 120 CA GLY A 18 42.197 7.456 22.700 1.00 0.00 C ATOM 121 C GLY A 18 42.010 8.260 21.422 1.00 0.00 C ATOM 122 O GLY A 18 42.969 8.833 20.908 1.00 0.00 O ATOM 0 H GLY A 18 40.533 6.394 23.363 1.00 0.00 H new ATOM 0 HA2 GLY A 18 42.929 7.945 23.343 1.00 0.00 H new ATOM 0 HA3 GLY A 18 42.590 6.467 22.463 1.00 0.00 H new ATOM 126 N GLY A 19 40.776 8.320 20.912 1.00 0.00 N ATOM 127 CA GLY A 19 40.482 9.062 19.702 1.00 0.00 C ATOM 128 C GLY A 19 40.400 10.539 20.049 1.00 0.00 C ATOM 129 O GLY A 19 40.896 11.384 19.307 1.00 0.00 O ATOM 0 H GLY A 19 39.967 7.858 21.328 1.00 0.00 H new ATOM 0 HA2 GLY A 19 41.257 8.891 18.955 1.00 0.00 H new ATOM 0 HA3 GLY A 19 39.541 8.722 19.269 1.00 0.00 H new ATOM 133 N SER A 20 39.782 10.846 21.192 1.00 0.00 N ATOM 134 CA SER A 20 39.668 12.217 21.649 1.00 0.00 C ATOM 135 C SER A 20 41.082 12.772 21.791 1.00 0.00 C ATOM 136 O SER A 20 41.364 13.870 21.317 1.00 0.00 O ATOM 137 CB SER A 20 38.940 12.245 22.989 1.00 0.00 C ATOM 0 H SER A 20 39.356 10.158 21.812 1.00 0.00 H new ATOM 0 HA SER A 20 39.100 12.823 20.943 1.00 0.00 H new ATOM 140 N MET A 21 41.974 12.012 22.440 1.00 0.00 N ATOM 141 CA MET A 21 43.358 12.396 22.636 1.00 0.00 C ATOM 142 C MET A 21 44.080 12.670 21.319 1.00 0.00 C ATOM 143 O MET A 21 44.787 13.665 21.198 1.00 0.00 O ATOM 144 CB MET A 21 44.072 11.281 23.395 1.00 0.00 C ATOM 0 H MET A 21 41.742 11.105 22.844 1.00 0.00 H new ATOM 0 HA MET A 21 43.374 13.325 23.206 1.00 0.00 H new ATOM 147 N LYS A 22 43.921 11.770 20.345 1.00 0.00 N ATOM 148 CA LYS A 22 44.575 11.908 19.053 1.00 0.00 C ATOM 149 C LYS A 22 44.042 13.124 18.304 1.00 0.00 C ATOM 150 O LYS A 22 44.778 14.075 18.048 1.00 0.00 O ATOM 151 CB LYS A 22 44.358 10.636 18.238 1.00 0.00 C ATOM 0 H LYS A 22 43.341 10.936 20.433 1.00 0.00 H new ATOM 0 HA LYS A 22 45.644 12.056 19.209 1.00 0.00 H new ATOM 154 N ALA A 23 42.757 13.075 17.952 1.00 0.00 N ATOM 155 CA ALA A 23 42.124 14.182 17.252 1.00 0.00 C ATOM 156 C ALA A 23 42.302 15.461 18.072 1.00 0.00 C ATOM 157 O ALA A 23 42.209 16.570 17.548 1.00 0.00 O ATOM 158 CB ALA A 23 40.644 13.872 17.043 1.00 0.00 C ATOM 0 H ALA A 23 42.141 12.284 18.141 1.00 0.00 H new ATOM 0 HA ALA A 23 42.588 14.324 16.276 1.00 0.00 H new ATOM 0 HB1 ALA A 23 40.169 14.701 16.519 1.00 0.00 H new ATOM 0 HB2 ALA A 23 40.543 12.962 16.451 1.00 0.00 H new ATOM 0 HB3 ALA A 23 40.162 13.731 18.010 1.00 0.00 H new ATOM 161 N MET A 24 42.578 15.277 19.364 1.00 0.00 N ATOM 162 CA MET A 24 42.762 16.372 20.295 1.00 0.00 C ATOM 163 C MET A 24 44.164 16.955 20.173 1.00 0.00 C ATOM 164 O MET A 24 44.335 18.171 20.180 1.00 0.00 O ATOM 165 CB MET A 24 42.511 15.873 21.715 1.00 0.00 C ATOM 0 H MET A 24 42.679 14.355 19.789 1.00 0.00 H new ATOM 0 HA MET A 24 42.051 17.164 20.060 1.00 0.00 H new ATOM 168 N THR A 25 45.166 16.079 20.068 1.00 0.00 N ATOM 169 CA THR A 25 46.553 16.490 19.977 1.00 0.00 C ATOM 170 C THR A 25 46.855 17.105 18.619 1.00 0.00 C ATOM 171 O THR A 25 47.666 18.024 18.526 1.00 0.00 O ATOM 172 CB THR A 25 47.451 15.282 20.228 1.00 0.00 C ATOM 0 H THR A 25 45.030 15.068 20.044 1.00 0.00 H new ATOM 0 HA THR A 25 46.746 17.252 20.733 1.00 0.00 H new ATOM 175 N GLY A 26 46.199 16.619 17.562 1.00 0.00 N ATOM 176 CA GLY A 26 46.417 17.137 16.228 1.00 0.00 C ATOM 177 C GLY A 26 45.700 18.471 16.118 1.00 0.00 C ATOM 178 O GLY A 26 46.273 19.453 15.651 1.00 0.00 O ATOM 0 H GLY A 26 45.513 15.866 17.615 1.00 0.00 H new ATOM 0 HA2 GLY A 26 47.483 17.261 16.037 1.00 0.00 H new ATOM 0 HA3 GLY A 26 46.038 16.439 15.482 1.00 0.00 H new ATOM 182 N VAL A 27 44.443 18.506 16.566 1.00 0.00 N ATOM 183 CA VAL A 27 43.669 19.728 16.551 1.00 0.00 C ATOM 184 C VAL A 27 44.376 20.728 17.453 1.00 0.00 C ATOM 185 O VAL A 27 44.418 21.920 17.159 1.00 0.00 O ATOM 186 CB VAL A 27 42.255 19.444 17.049 1.00 0.00 C ATOM 0 H VAL A 27 43.948 17.697 16.942 1.00 0.00 H new ATOM 0 HA VAL A 27 43.590 20.133 15.542 1.00 0.00 H new ATOM 189 N ALA A 28 44.948 20.233 18.552 1.00 0.00 N ATOM 190 CA ALA A 28 45.662 21.073 19.490 1.00 0.00 C ATOM 191 C ALA A 28 46.811 21.782 18.789 1.00 0.00 C ATOM 192 O ALA A 28 47.017 22.976 18.997 1.00 0.00 O ATOM 193 CB ALA A 28 46.182 20.220 20.644 1.00 0.00 C ATOM 0 H ALA A 28 44.925 19.246 18.807 1.00 0.00 H new ATOM 0 HA ALA A 28 44.985 21.829 19.886 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.720 20.852 21.350 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.343 19.742 21.150 1.00 0.00 H new ATOM 0 HB3 ALA A 28 46.855 19.455 20.257 1.00 0.00 H new ATOM 196 N LYS A 29 47.557 21.055 17.953 1.00 0.00 N ATOM 197 CA LYS A 29 48.682 21.626 17.238 1.00 0.00 C ATOM 198 C LYS A 29 48.196 22.485 16.079 1.00 0.00 C ATOM 199 O LYS A 29 48.253 23.711 16.156 1.00 0.00 O ATOM 200 CB LYS A 29 49.584 20.503 16.734 1.00 0.00 C ATOM 0 H LYS A 29 47.394 20.067 17.760 1.00 0.00 H new ATOM 0 HA LYS A 29 49.251 22.264 17.914 1.00 0.00 H new ATOM 203 N ALA A 30 47.725 21.835 15.009 1.00 0.00 N ATOM 204 CA ALA A 30 47.241 22.517 13.821 1.00 0.00 C ATOM 205 C ALA A 30 45.759 22.835 13.967 1.00 0.00 C ATOM 206 O ALA A 30 44.941 22.356 13.185 1.00 0.00 O ATOM 207 CB ALA A 30 47.472 21.623 12.606 1.00 0.00 C ATOM 0 H ALA A 30 47.672 20.818 14.950 1.00 0.00 H new ATOM 0 HA ALA A 30 47.782 23.454 13.691 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.111 22.127 11.709 1.00 0.00 H new ATOM 0 HB2 ALA A 30 48.537 21.417 12.503 1.00 0.00 H new ATOM 0 HB3 ALA A 30 46.932 20.685 12.737 1.00 0.00 H new ATOM 210 N PHE A 31 45.414 23.647 14.968 1.00 0.00 N ATOM 211 CA PHE A 31 44.035 24.021 15.208 1.00 0.00 C ATOM 212 C PHE A 31 43.561 25.011 14.155 1.00 0.00 C ATOM 213 O PHE A 31 44.293 25.329 13.221 1.00 0.00 O ATOM 214 CB PHE A 31 43.905 24.617 16.607 1.00 0.00 C ATOM 0 H PHE A 31 46.080 24.055 15.624 1.00 0.00 H new ATOM 0 HA PHE A 31 43.406 23.133 15.141 1.00 0.00 H new ATOM 217 N ASP A 32 42.328 25.496 14.319 1.00 0.00 N ATOM 218 CA ASP A 32 41.739 26.441 13.394 1.00 0.00 C ATOM 219 C ASP A 32 40.279 26.659 13.763 1.00 0.00 C ATOM 220 O ASP A 32 39.881 27.780 14.074 1.00 0.00 O ATOM 221 CB ASP A 32 41.859 25.907 11.969 1.00 0.00 C ATOM 0 H ASP A 32 41.720 25.240 15.097 1.00 0.00 H new ATOM 0 HA ASP A 32 42.265 27.394 13.452 1.00 0.00 H new ATOM 224 N ALA A 33 39.494 25.578 13.735 1.00 0.00 N ATOM 225 CA ALA A 33 38.080 25.630 14.059 1.00 0.00 C ATOM 226 C ALA A 33 37.418 24.312 13.681 1.00 0.00 C ATOM 227 O ALA A 33 36.697 23.722 14.483 1.00 0.00 O ATOM 228 CB ALA A 33 37.415 26.778 13.303 1.00 0.00 C ATOM 0 H ALA A 33 39.828 24.647 13.486 1.00 0.00 H new ATOM 0 HA ALA A 33 37.965 25.796 15.130 1.00 0.00 H new ATOM 0 HB1 ALA A 33 36.354 26.811 13.551 1.00 0.00 H new ATOM 0 HB2 ALA A 33 37.883 27.720 13.587 1.00 0.00 H new ATOM 0 HB3 ALA A 33 37.532 26.623 12.230 1.00 0.00 H new ATOM 231 N GLU A 34 37.667 23.854 12.452 1.00 0.00 N ATOM 232 CA GLU A 34 37.082 22.627 11.948 1.00 0.00 C ATOM 233 C GLU A 34 37.567 21.411 12.725 1.00 0.00 C ATOM 234 O GLU A 34 36.761 20.576 13.128 1.00 0.00 O ATOM 235 CB GLU A 34 37.419 22.483 10.467 1.00 0.00 C ATOM 0 H GLU A 34 38.279 24.327 11.787 1.00 0.00 H new ATOM 0 HA GLU A 34 36.001 22.681 12.077 1.00 0.00 H new ATOM 238 N ALA A 35 38.882 21.301 12.935 1.00 0.00 N ATOM 239 CA ALA A 35 39.457 20.169 13.635 1.00 0.00 C ATOM 240 C ALA A 35 38.921 20.068 15.056 1.00 0.00 C ATOM 241 O ALA A 35 38.397 19.025 15.442 1.00 0.00 O ATOM 242 CB ALA A 35 40.977 20.304 13.646 1.00 0.00 C ATOM 0 H ALA A 35 39.565 21.992 12.624 1.00 0.00 H new ATOM 0 HA ALA A 35 39.175 19.254 13.113 1.00 0.00 H new ATOM 0 HB1 ALA A 35 41.414 19.455 14.171 1.00 0.00 H new ATOM 0 HB2 ALA A 35 41.348 20.326 12.621 1.00 0.00 H new ATOM 0 HB3 ALA A 35 41.257 21.227 14.153 1.00 0.00 H new ATOM 245 N ALA A 36 39.065 21.145 15.834 1.00 0.00 N ATOM 246 CA ALA A 36 38.616 21.178 17.213 1.00 0.00 C ATOM 247 C ALA A 36 37.170 20.719 17.333 1.00 0.00 C ATOM 248 O ALA A 36 36.872 19.824 18.120 1.00 0.00 O ATOM 249 CB ALA A 36 38.775 22.594 17.760 1.00 0.00 C ATOM 0 H ALA A 36 39.497 22.013 15.518 1.00 0.00 H new ATOM 0 HA ALA A 36 39.227 20.491 17.798 1.00 0.00 H new ATOM 0 HB1 ALA A 36 38.439 22.624 18.796 1.00 0.00 H new ATOM 0 HB2 ALA A 36 39.824 22.888 17.710 1.00 0.00 H new ATOM 0 HB3 ALA A 36 38.176 23.283 17.165 1.00 0.00 H new ATOM 252 N LYS A 37 36.274 21.334 16.556 1.00 0.00 N ATOM 253 CA LYS A 37 34.865 20.990 16.580 1.00 0.00 C ATOM 254 C LYS A 37 34.668 19.492 16.382 1.00 0.00 C ATOM 255 O LYS A 37 33.911 18.863 17.118 1.00 0.00 O ATOM 256 CB LYS A 37 34.137 21.776 15.494 1.00 0.00 C ATOM 0 H LYS A 37 36.511 22.078 15.900 1.00 0.00 H new ATOM 0 HA LYS A 37 34.451 21.252 17.554 1.00 0.00 H new ATOM 259 N VAL A 38 35.352 18.921 15.388 1.00 0.00 N ATOM 260 CA VAL A 38 35.242 17.506 15.093 1.00 0.00 C ATOM 261 C VAL A 38 35.768 16.670 16.252 1.00 0.00 C ATOM 262 O VAL A 38 35.250 15.588 16.528 1.00 0.00 O ATOM 263 CB VAL A 38 36.016 17.197 13.815 1.00 0.00 C ATOM 0 H VAL A 38 35.990 19.428 14.775 1.00 0.00 H new ATOM 0 HA VAL A 38 34.192 17.252 14.949 1.00 0.00 H new ATOM 266 N GLU A 39 36.784 17.177 16.955 1.00 0.00 N ATOM 267 CA GLU A 39 37.371 16.461 18.066 1.00 0.00 C ATOM 268 C GLU A 39 36.371 16.462 19.209 1.00 0.00 C ATOM 269 O GLU A 39 36.126 15.427 19.821 1.00 0.00 O ATOM 270 CB GLU A 39 38.674 17.138 18.480 1.00 0.00 C ATOM 0 H GLU A 39 37.211 18.084 16.766 1.00 0.00 H new ATOM 0 HA GLU A 39 37.601 15.433 17.786 1.00 0.00 H new ATOM 273 N ALA A 40 35.796 17.634 19.487 1.00 0.00 N ATOM 274 CA ALA A 40 34.808 17.779 20.536 1.00 0.00 C ATOM 275 C ALA A 40 33.663 16.803 20.305 1.00 0.00 C ATOM 276 O ALA A 40 33.200 16.159 21.243 1.00 0.00 O ATOM 277 CB ALA A 40 34.297 19.217 20.555 1.00 0.00 C ATOM 0 H ALA A 40 36.007 18.499 18.990 1.00 0.00 H new ATOM 0 HA ALA A 40 35.261 17.554 21.502 1.00 0.00 H new ATOM 0 HB1 ALA A 40 33.553 19.328 21.344 1.00 0.00 H new ATOM 0 HB2 ALA A 40 35.129 19.896 20.742 1.00 0.00 H new ATOM 0 HB3 ALA A 40 33.844 19.455 19.593 1.00 0.00 H new ATOM 280 N ALA A 41 33.210 16.686 19.054 1.00 0.00 N ATOM 281 CA ALA A 41 32.126 15.784 18.714 1.00 0.00 C ATOM 282 C ALA A 41 32.502 14.371 19.136 1.00 0.00 C ATOM 283 O ALA A 41 31.722 13.684 19.798 1.00 0.00 O ATOM 284 CB ALA A 41 31.862 15.849 17.212 1.00 0.00 C ATOM 0 H ALA A 41 33.584 17.210 18.263 1.00 0.00 H new ATOM 0 HA ALA A 41 31.216 16.077 19.237 1.00 0.00 H new ATOM 0 HB1 ALA A 41 31.048 15.171 16.956 1.00 0.00 H new ATOM 0 HB2 ALA A 41 31.588 16.867 16.934 1.00 0.00 H new ATOM 0 HB3 ALA A 41 32.762 15.555 16.671 1.00 0.00 H new ATOM 287 N LYS A 42 33.712 13.945 18.765 1.00 0.00 N ATOM 288 CA LYS A 42 34.186 12.627 19.131 1.00 0.00 C ATOM 289 C LYS A 42 34.182 12.557 20.651 1.00 0.00 C ATOM 290 O LYS A 42 33.785 11.554 21.239 1.00 0.00 O ATOM 291 CB LYS A 42 35.592 12.414 18.576 1.00 0.00 C ATOM 0 H LYS A 42 34.371 14.497 18.215 1.00 0.00 H new ATOM 0 HA LYS A 42 33.548 11.845 18.718 1.00 0.00 H new ATOM 294 N LEU A 43 34.613 13.655 21.275 1.00 0.00 N ATOM 295 CA LEU A 43 34.661 13.769 22.716 1.00 0.00 C ATOM 296 C LEU A 43 33.302 13.444 23.316 1.00 0.00 C ATOM 297 O LEU A 43 33.177 12.473 24.055 1.00 0.00 O ATOM 298 CB LEU A 43 35.096 15.181 23.098 1.00 0.00 C ATOM 0 H LEU A 43 34.938 14.488 20.784 1.00 0.00 H new ATOM 0 HA LEU A 43 35.384 13.056 23.112 1.00 0.00 H new ATOM 301 N GLU A 44 32.284 14.255 23.016 1.00 0.00 N ATOM 302 CA GLU A 44 30.946 14.065 23.541 1.00 0.00 C ATOM 303 C GLU A 44 30.437 12.637 23.400 1.00 0.00 C ATOM 304 O GLU A 44 29.797 12.127 24.316 1.00 0.00 O ATOM 305 CB GLU A 44 29.998 15.034 22.841 1.00 0.00 C ATOM 0 H GLU A 44 32.374 15.062 22.399 1.00 0.00 H new ATOM 0 HA GLU A 44 30.984 14.266 24.612 1.00 0.00 H new ATOM 308 N LYS A 45 30.701 11.976 22.270 1.00 0.00 N ATOM 309 CA LYS A 45 30.220 10.624 22.058 1.00 0.00 C ATOM 310 C LYS A 45 31.003 9.605 22.879 1.00 0.00 C ATOM 311 O LYS A 45 30.411 8.742 23.519 1.00 0.00 O ATOM 312 CB LYS A 45 30.314 10.290 20.571 1.00 0.00 C ATOM 0 H LYS A 45 31.243 12.360 21.496 1.00 0.00 H new ATOM 0 HA LYS A 45 29.183 10.572 22.389 1.00 0.00 H new ATOM 315 N ILE A 46 32.334 9.697 22.840 1.00 0.00 N ATOM 316 CA ILE A 46 33.193 8.763 23.545 1.00 0.00 C ATOM 317 C ILE A 46 33.330 9.086 25.030 1.00 0.00 C ATOM 318 O ILE A 46 32.892 8.322 25.886 1.00 0.00 O ATOM 319 CB ILE A 46 34.568 8.760 22.883 1.00 0.00 C ATOM 0 H ILE A 46 32.837 10.417 22.321 1.00 0.00 H new ATOM 0 HA ILE A 46 32.732 7.777 23.483 1.00 0.00 H new ATOM 322 N LEU A 47 33.959 10.225 25.313 1.00 0.00 N ATOM 323 CA LEU A 47 34.252 10.639 26.674 1.00 0.00 C ATOM 324 C LEU A 47 33.029 10.897 27.552 1.00 0.00 C ATOM 325 O LEU A 47 33.050 10.563 28.735 1.00 0.00 O ATOM 326 CB LEU A 47 35.159 11.865 26.635 1.00 0.00 C ATOM 0 H LEU A 47 34.278 10.883 24.602 1.00 0.00 H new ATOM 0 HA LEU A 47 34.752 9.796 27.150 1.00 0.00 H new ATOM 329 N ALA A 48 31.967 11.488 27.001 1.00 0.00 N ATOM 330 CA ALA A 48 30.787 11.792 27.794 1.00 0.00 C ATOM 331 C ALA A 48 30.055 10.507 28.160 1.00 0.00 C ATOM 332 O ALA A 48 29.899 9.655 27.292 1.00 0.00 O ATOM 333 CB ALA A 48 29.875 12.747 27.030 1.00 0.00 C ATOM 0 H ALA A 48 31.905 11.761 26.020 1.00 0.00 H new ATOM 0 HA ALA A 48 31.093 12.281 28.719 1.00 0.00 H new ATOM 0 HB1 ALA A 48 28.994 12.969 27.632 1.00 0.00 H new ATOM 0 HB2 ALA A 48 30.412 13.672 26.818 1.00 0.00 H new ATOM 0 HB3 ALA A 48 29.567 12.284 26.093 1.00 0.00 H new ATOM 336 N THR A 49 29.603 10.424 29.424 1.00 0.00 N ATOM 337 CA THR A 49 28.952 9.222 29.945 1.00 0.00 C ATOM 338 C THR A 49 28.119 8.478 28.917 1.00 0.00 C ATOM 339 O THR A 49 26.918 8.235 29.013 1.00 0.00 O ATOM 340 CB THR A 49 28.095 9.600 31.149 1.00 0.00 C ATOM 0 H THR A 49 29.680 11.182 30.102 1.00 0.00 H new ATOM 0 HA THR A 49 29.744 8.532 30.236 1.00 0.00 H new ATOM 343 N ASP A 50 28.966 8.088 27.967 1.00 0.00 N ATOM 344 CA ASP A 50 28.656 7.200 26.874 1.00 0.00 C ATOM 345 C ASP A 50 29.698 6.093 26.989 1.00 0.00 C ATOM 346 O ASP A 50 29.422 4.951 26.625 1.00 0.00 O ATOM 347 CB ASP A 50 28.706 7.914 25.528 1.00 0.00 C ATOM 0 H ASP A 50 29.935 8.406 27.948 1.00 0.00 H new ATOM 0 HA ASP A 50 27.640 6.809 26.928 1.00 0.00 H new ATOM 350 N VAL A 51 30.879 6.434 27.536 1.00 0.00 N ATOM 351 CA VAL A 51 31.956 5.491 27.758 1.00 0.00 C ATOM 352 C VAL A 51 31.828 4.863 29.140 1.00 0.00 C ATOM 353 O VAL A 51 32.041 3.661 29.283 1.00 0.00 O ATOM 354 CB VAL A 51 33.297 6.206 27.639 1.00 0.00 C ATOM 0 H VAL A 51 31.100 7.384 27.834 1.00 0.00 H new ATOM 0 HA VAL A 51 31.898 4.704 27.006 1.00 0.00 H new ATOM 357 N ALA A 52 31.486 5.660 30.162 1.00 0.00 N ATOM 358 CA ALA A 52 31.338 5.159 31.516 1.00 0.00 C ATOM 359 C ALA A 52 30.338 4.011 31.519 1.00 0.00 C ATOM 360 O ALA A 52 29.235 4.154 32.042 1.00 0.00 O ATOM 361 CB ALA A 52 30.846 6.290 32.414 1.00 0.00 C ATOM 0 H ALA A 52 31.308 6.660 30.065 1.00 0.00 H new ATOM 0 HA ALA A 52 32.295 4.796 31.890 1.00 0.00 H new ATOM 0 HB1 ALA A 52 30.732 5.922 33.434 1.00 0.00 H new ATOM 0 HB2 ALA A 52 31.569 7.105 32.401 1.00 0.00 H new ATOM 0 HB3 ALA A 52 29.885 6.652 32.050 1.00 0.00 H new ATOM 364 N PRO A 53 30.730 2.881 30.923 1.00 0.00 N ATOM 365 CA PRO A 53 29.886 1.703 30.843 1.00 0.00 C ATOM 366 C PRO A 53 30.702 0.520 30.341 1.00 0.00 C ATOM 367 O PRO A 53 30.139 -0.408 29.763 1.00 0.00 O ATOM 368 CB PRO A 53 29.308 1.386 32.221 1.00 0.00 C ATOM 0 HA PRO A 53 29.068 1.894 30.149 1.00 0.00 H new ATOM 370 N LEU A 54 32.020 0.577 30.571 1.00 0.00 N ATOM 371 CA LEU A 54 32.954 -0.469 30.194 1.00 0.00 C ATOM 372 C LEU A 54 33.424 -1.164 31.463 1.00 0.00 C ATOM 373 O LEU A 54 33.370 -2.388 31.560 1.00 0.00 O ATOM 374 CB LEU A 54 34.136 0.156 29.456 1.00 0.00 C ATOM 0 H LEU A 54 32.466 1.369 31.033 1.00 0.00 H new ATOM 0 HA LEU A 54 32.479 -1.196 29.535 1.00 0.00 H new ATOM 377 N PHE A 55 33.879 -0.377 32.442 1.00 0.00 N ATOM 378 CA PHE A 55 34.350 -0.916 33.701 1.00 0.00 C ATOM 379 C PHE A 55 33.174 -1.437 34.515 1.00 0.00 C ATOM 380 O PHE A 55 32.059 -1.523 34.003 1.00 0.00 O ATOM 381 CB PHE A 55 35.113 0.161 34.467 1.00 0.00 C ATOM 0 H PHE A 55 33.927 0.640 32.377 1.00 0.00 H new ATOM 0 HA PHE A 55 35.027 -1.749 33.511 1.00 0.00 H new ATOM 384 N PRO A 56 33.426 -1.787 35.781 1.00 0.00 N ATOM 385 CA PRO A 56 32.402 -2.328 36.659 1.00 0.00 C ATOM 386 C PRO A 56 32.068 -3.734 36.183 1.00 0.00 C ATOM 387 O PRO A 56 32.025 -3.967 34.976 1.00 0.00 O ATOM 388 CB PRO A 56 31.169 -1.428 36.647 1.00 0.00 C ATOM 0 HA PRO A 56 32.761 -2.370 37.687 1.00 0.00 H new ATOM 390 N ALA A 57 31.821 -4.661 37.117 1.00 0.00 N ATOM 391 CA ALA A 57 31.525 -6.046 36.791 1.00 0.00 C ATOM 392 C ALA A 57 32.462 -6.584 35.715 1.00 0.00 C ATOM 393 O ALA A 57 32.037 -7.385 34.885 1.00 0.00 O ATOM 394 CB ALA A 57 30.072 -6.159 36.340 1.00 0.00 C ATOM 0 H ALA A 57 31.823 -4.464 38.118 1.00 0.00 H new ATOM 0 HA ALA A 57 31.679 -6.651 37.684 1.00 0.00 H new ATOM 0 HB1 ALA A 57 29.847 -7.197 36.095 1.00 0.00 H new ATOM 0 HB2 ALA A 57 29.415 -5.825 37.143 1.00 0.00 H new ATOM 0 HB3 ALA A 57 29.915 -5.536 35.460 1.00 0.00 H new ATOM 397 N GLY A 58 33.723 -6.132 35.725 1.00 0.00 N ATOM 398 CA GLY A 58 34.714 -6.539 34.744 1.00 0.00 C ATOM 399 C GLY A 58 35.524 -7.712 35.275 1.00 0.00 C ATOM 400 O GLY A 58 34.999 -8.557 35.997 1.00 0.00 O ATOM 0 H GLY A 58 34.076 -5.473 36.419 1.00 0.00 H new ATOM 0 HA2 GLY A 58 34.222 -6.819 33.813 1.00 0.00 H new ATOM 0 HA3 GLY A 58 35.376 -5.704 34.516 1.00 0.00 H new ATOM 404 N THR A 59 36.811 -7.753 34.922 1.00 0.00 N ATOM 405 CA THR A 59 37.696 -8.811 35.364 1.00 0.00 C ATOM 406 C THR A 59 38.094 -8.550 36.809 1.00 0.00 C ATOM 407 O THR A 59 37.882 -9.394 37.676 1.00 0.00 O ATOM 408 CB THR A 59 38.924 -8.851 34.460 1.00 0.00 C ATOM 0 H THR A 59 37.257 -7.056 34.326 1.00 0.00 H new ATOM 0 HA THR A 59 37.194 -9.777 35.307 1.00 0.00 H new ATOM 411 N SER A 60 38.667 -7.371 37.062 1.00 0.00 N ATOM 412 CA SER A 60 39.082 -6.982 38.396 1.00 0.00 C ATOM 413 C SER A 60 40.282 -7.804 38.845 1.00 0.00 C ATOM 414 O SER A 60 40.129 -8.944 39.278 1.00 0.00 O ATOM 415 CB SER A 60 37.914 -7.159 39.362 1.00 0.00 C ATOM 0 H SER A 60 38.852 -6.668 36.347 1.00 0.00 H new ATOM 0 HA SER A 60 39.381 -5.934 38.387 1.00 0.00 H new ATOM 418 N SER A 61 41.478 -7.216 38.755 1.00 0.00 N ATOM 419 CA SER A 61 42.695 -7.889 39.164 1.00 0.00 C ATOM 420 C SER A 61 42.853 -9.207 38.419 1.00 0.00 C ATOM 421 O SER A 61 43.583 -10.086 38.871 1.00 0.00 O ATOM 422 CB SER A 61 42.662 -8.125 40.671 1.00 0.00 C ATOM 0 H SER A 61 41.620 -6.271 38.400 1.00 0.00 H new ATOM 0 HA SER A 61 43.551 -7.260 38.920 1.00 0.00 H new ATOM 425 N THR A 62 42.167 -9.342 37.280 1.00 0.00 N ATOM 426 CA THR A 62 42.238 -10.547 36.476 1.00 0.00 C ATOM 427 C THR A 62 43.508 -10.519 35.638 1.00 0.00 C ATOM 428 O THR A 62 43.849 -9.485 35.068 1.00 0.00 O ATOM 429 CB THR A 62 41.005 -10.638 35.583 1.00 0.00 C ATOM 0 H THR A 62 41.554 -8.621 36.899 1.00 0.00 H new ATOM 0 HA THR A 62 42.263 -11.424 37.122 1.00 0.00 H new ATOM 432 N ASP A 63 44.205 -11.656 35.568 1.00 0.00 N ATOM 433 CA ASP A 63 45.436 -11.752 34.807 1.00 0.00 C ATOM 434 C ASP A 63 46.088 -13.110 35.028 1.00 0.00 C ATOM 435 O ASP A 63 45.394 -14.098 35.260 1.00 0.00 O ATOM 436 CB ASP A 63 46.383 -10.633 35.233 1.00 0.00 C ATOM 0 H ASP A 63 43.930 -12.521 36.033 1.00 0.00 H new ATOM 0 HA ASP A 63 45.212 -11.648 33.745 1.00 0.00 H new ATOM 439 N LEU A 64 47.424 -13.133 34.954 1.00 0.00 N ATOM 440 CA LEU A 64 48.215 -14.337 35.145 1.00 0.00 C ATOM 441 C LEU A 64 49.487 -13.985 35.903 1.00 0.00 C ATOM 442 O LEU A 64 49.618 -14.318 37.079 1.00 0.00 O ATOM 443 CB LEU A 64 48.546 -14.948 33.786 1.00 0.00 C ATOM 0 H LEU A 64 47.984 -12.304 34.757 1.00 0.00 H new ATOM 0 HA LEU A 64 47.652 -15.068 35.725 1.00 0.00 H new ATOM 446 N PRO A 65 50.424 -13.313 35.229 1.00 0.00 N ATOM 447 CA PRO A 65 51.674 -12.916 35.846 1.00 0.00 C ATOM 448 C PRO A 65 52.721 -12.586 34.790 1.00 0.00 C ATOM 449 O PRO A 65 53.893 -12.411 35.118 1.00 0.00 O ATOM 450 CB PRO A 65 51.428 -11.713 36.752 1.00 0.00 C ATOM 0 HA PRO A 65 52.055 -13.745 36.442 1.00 0.00 H new ATOM 452 N GLY A 66 52.311 -12.502 33.521 1.00 0.00 N ATOM 453 CA GLY A 66 53.231 -12.192 32.446 1.00 0.00 C ATOM 454 C GLY A 66 52.493 -12.110 31.117 1.00 0.00 C ATOM 455 O GLY A 66 53.090 -12.317 30.063 1.00 0.00 O ATOM 0 H GLY A 66 51.346 -12.646 33.223 1.00 0.00 H new ATOM 0 HA2 GLY A 66 53.731 -11.245 32.650 1.00 0.00 H new ATOM 0 HA3 GLY A 66 54.006 -12.957 32.391 1.00 0.00 H new ATOM 459 N GLN A 67 51.192 -11.813 31.170 1.00 0.00 N ATOM 460 CA GLN A 67 50.384 -11.696 29.972 1.00 0.00 C ATOM 461 C GLN A 67 50.677 -10.359 29.307 1.00 0.00 C ATOM 462 O GLN A 67 51.395 -9.536 29.870 1.00 0.00 O ATOM 463 CB GLN A 67 48.907 -11.805 30.341 1.00 0.00 C ATOM 0 H GLN A 67 50.682 -11.650 32.038 1.00 0.00 H new ATOM 0 HA GLN A 67 50.625 -12.499 29.275 1.00 0.00 H new ATOM 466 N THR A 68 50.128 -10.146 28.107 1.00 0.00 N ATOM 467 CA THR A 68 50.335 -8.908 27.382 1.00 0.00 C ATOM 468 C THR A 68 49.254 -8.713 26.329 1.00 0.00 C ATOM 469 O THR A 68 48.695 -9.682 25.821 1.00 0.00 O ATOM 470 CB THR A 68 51.720 -8.919 26.741 1.00 0.00 C ATOM 0 H THR A 68 49.537 -10.822 27.624 1.00 0.00 H new ATOM 0 HA THR A 68 50.273 -8.072 28.079 1.00 0.00 H new ATOM 473 N GLU A 69 48.959 -7.450 26.012 1.00 0.00 N ATOM 474 CA GLU A 69 47.954 -7.115 25.024 1.00 0.00 C ATOM 475 C GLU A 69 47.758 -5.606 24.997 1.00 0.00 C ATOM 476 O GLU A 69 48.285 -4.928 24.118 1.00 0.00 O ATOM 477 CB GLU A 69 46.647 -7.826 25.362 1.00 0.00 C ATOM 0 H GLU A 69 49.413 -6.641 26.436 1.00 0.00 H new ATOM 0 HA GLU A 69 48.279 -7.443 24.037 1.00 0.00 H new ATOM 480 N ALA A 70 46.997 -5.087 25.965 1.00 0.00 N ATOM 481 CA ALA A 70 46.725 -3.666 26.063 1.00 0.00 C ATOM 482 C ALA A 70 45.672 -3.427 27.135 1.00 0.00 C ATOM 483 O ALA A 70 44.513 -3.167 26.818 1.00 0.00 O ATOM 484 CB ALA A 70 46.234 -3.142 24.716 1.00 0.00 C ATOM 0 H ALA A 70 46.557 -5.645 26.697 1.00 0.00 H new ATOM 0 HA ALA A 70 47.638 -3.136 26.334 1.00 0.00 H new ATOM 0 HB1 ALA A 70 46.031 -2.074 24.793 1.00 0.00 H new ATOM 0 HB2 ALA A 70 46.999 -3.312 23.959 1.00 0.00 H new ATOM 0 HB3 ALA A 70 45.321 -3.666 24.433 1.00 0.00 H new ATOM 487 N LYS A 71 46.071 -3.510 28.407 1.00 0.00 N ATOM 488 CA LYS A 71 45.146 -3.306 29.503 1.00 0.00 C ATOM 489 C LYS A 71 45.881 -3.065 30.804 1.00 0.00 C ATOM 490 O LYS A 71 45.338 -2.414 31.694 1.00 0.00 O ATOM 491 CB LYS A 71 44.201 -4.500 29.611 1.00 0.00 C ATOM 0 H LYS A 71 47.028 -3.717 28.693 1.00 0.00 H new ATOM 0 HA LYS A 71 44.555 -2.413 29.300 1.00 0.00 H new ATOM 494 N ALA A 72 47.113 -3.564 30.929 1.00 0.00 N ATOM 495 CA ALA A 72 47.893 -3.330 32.125 1.00 0.00 C ATOM 496 C ALA A 72 47.332 -4.073 33.334 1.00 0.00 C ATOM 497 O ALA A 72 46.153 -3.960 33.662 1.00 0.00 O ATOM 498 CB ALA A 72 47.972 -1.831 32.401 1.00 0.00 C ATOM 0 H ALA A 72 47.580 -4.127 30.218 1.00 0.00 H new ATOM 0 HA ALA A 72 48.896 -3.721 31.953 1.00 0.00 H new ATOM 0 HB1 ALA A 72 48.560 -1.657 33.302 1.00 0.00 H new ATOM 0 HB2 ALA A 72 48.446 -1.330 31.557 1.00 0.00 H new ATOM 0 HB3 ALA A 72 46.967 -1.433 32.541 1.00 0.00 H new ATOM 501 N ALA A 73 48.227 -4.833 33.963 1.00 0.00 N ATOM 502 CA ALA A 73 47.911 -5.617 35.141 1.00 0.00 C ATOM 503 C ALA A 73 47.092 -4.825 36.156 1.00 0.00 C ATOM 504 O ALA A 73 46.352 -5.418 36.939 1.00 0.00 O ATOM 505 CB ALA A 73 49.207 -6.119 35.772 1.00 0.00 C ATOM 0 H ALA A 73 49.198 -4.918 33.662 1.00 0.00 H new ATOM 0 HA ALA A 73 47.297 -6.463 34.833 1.00 0.00 H new ATOM 0 HB1 ALA A 73 48.975 -6.709 36.659 1.00 0.00 H new ATOM 0 HB2 ALA A 73 49.745 -6.738 35.054 1.00 0.00 H new ATOM 0 HB3 ALA A 73 49.827 -5.268 36.054 1.00 0.00 H new ATOM 508 N ILE A 74 47.208 -3.493 36.147 1.00 0.00 N ATOM 509 CA ILE A 74 46.488 -2.675 37.105 1.00 0.00 C ATOM 510 C ILE A 74 47.034 -3.039 38.482 1.00 0.00 C ATOM 511 O ILE A 74 48.196 -3.426 38.589 1.00 0.00 O ATOM 512 CB ILE A 74 44.994 -2.973 37.014 1.00 0.00 C ATOM 0 H ILE A 74 47.789 -2.971 35.491 1.00 0.00 H new ATOM 0 HA ILE A 74 46.621 -1.611 36.910 1.00 0.00 H new ATOM 515 N TRP A 75 46.208 -2.938 39.530 1.00 0.00 N ATOM 516 CA TRP A 75 46.601 -3.304 40.881 1.00 0.00 C ATOM 517 C TRP A 75 45.342 -3.670 41.661 1.00 0.00 C ATOM 518 O TRP A 75 45.268 -3.473 42.872 1.00 0.00 O ATOM 519 CB TRP A 75 47.340 -2.141 41.539 1.00 0.00 C ATOM 0 H TRP A 75 45.249 -2.599 39.457 1.00 0.00 H new ATOM 0 HA TRP A 75 47.277 -4.159 40.867 1.00 0.00 H new ATOM 522 N ALA A 76 44.348 -4.186 40.931 1.00 0.00 N ATOM 523 CA ALA A 76 43.068 -4.559 41.511 1.00 0.00 C ATOM 524 C ALA A 76 42.484 -3.401 42.324 1.00 0.00 C ATOM 525 O ALA A 76 41.692 -3.630 43.235 1.00 0.00 O ATOM 526 CB ALA A 76 43.259 -5.785 42.399 1.00 0.00 C ATOM 0 H ALA A 76 44.414 -4.354 39.927 1.00 0.00 H new ATOM 0 HA ALA A 76 42.368 -4.794 40.710 1.00 0.00 H new ATOM 0 HB1 ALA A 76 42.302 -6.070 42.837 1.00 0.00 H new ATOM 0 HB2 ALA A 76 43.644 -6.611 41.801 1.00 0.00 H new ATOM 0 HB3 ALA A 76 43.967 -5.552 43.194 1.00 0.00 H new ATOM 529 N ASN A 77 42.883 -2.167 41.994 1.00 0.00 N ATOM 530 CA ASN A 77 42.437 -0.975 42.696 1.00 0.00 C ATOM 531 C ASN A 77 41.111 -0.474 42.143 1.00 0.00 C ATOM 532 O ASN A 77 41.067 0.579 41.514 1.00 0.00 O ATOM 533 CB ASN A 77 43.505 0.107 42.565 1.00 0.00 C ATOM 0 H ASN A 77 43.528 -1.975 41.227 1.00 0.00 H new ATOM 0 HA ASN A 77 42.285 -1.221 43.747 1.00 0.00 H new ATOM 536 N MET A 78 40.045 -1.243 42.377 1.00 0.00 N ATOM 537 CA MET A 78 38.711 -0.892 41.924 1.00 0.00 C ATOM 538 C MET A 78 38.364 0.565 42.221 1.00 0.00 C ATOM 539 O MET A 78 37.819 1.255 41.362 1.00 0.00 O ATOM 540 CB MET A 78 37.698 -1.825 42.580 1.00 0.00 C ATOM 0 H MET A 78 40.090 -2.125 42.887 1.00 0.00 H new ATOM 0 HA MET A 78 38.679 -1.009 40.841 1.00 0.00 H new ATOM 543 N ASP A 79 38.682 1.041 43.429 1.00 0.00 N ATOM 544 CA ASP A 79 38.377 2.404 43.827 1.00 0.00 C ATOM 545 C ASP A 79 39.220 3.432 43.079 1.00 0.00 C ATOM 546 O ASP A 79 38.672 4.264 42.358 1.00 0.00 O ATOM 547 CB ASP A 79 38.579 2.544 45.333 1.00 0.00 C ATOM 0 H ASP A 79 39.154 0.492 44.147 1.00 0.00 H new ATOM 0 HA ASP A 79 37.337 2.605 43.568 1.00 0.00 H new ATOM 550 N ASP A 80 40.541 3.391 43.279 1.00 0.00 N ATOM 551 CA ASP A 80 41.455 4.323 42.636 1.00 0.00 C ATOM 552 C ASP A 80 41.201 4.345 41.135 1.00 0.00 C ATOM 553 O ASP A 80 41.104 5.411 40.528 1.00 0.00 O ATOM 554 CB ASP A 80 42.893 3.912 42.936 1.00 0.00 C ATOM 0 H ASP A 80 40.999 2.713 43.888 1.00 0.00 H new ATOM 0 HA ASP A 80 41.289 5.327 43.026 1.00 0.00 H new ATOM 557 N PHE A 81 41.087 3.151 40.553 1.00 0.00 N ATOM 558 CA PHE A 81 40.809 3.012 39.140 1.00 0.00 C ATOM 559 C PHE A 81 39.531 3.781 38.841 1.00 0.00 C ATOM 560 O PHE A 81 39.469 4.537 37.874 1.00 0.00 O ATOM 561 CB PHE A 81 40.657 1.535 38.788 1.00 0.00 C ATOM 0 H PHE A 81 41.185 2.266 41.050 1.00 0.00 H new ATOM 0 HA PHE A 81 41.626 3.412 38.540 1.00 0.00 H new ATOM 564 N GLY A 82 38.518 3.595 39.691 1.00 0.00 N ATOM 565 CA GLY A 82 37.259 4.292 39.547 1.00 0.00 C ATOM 566 C GLY A 82 37.527 5.789 39.525 1.00 0.00 C ATOM 567 O GLY A 82 36.904 6.517 38.754 1.00 0.00 O ATOM 0 H GLY A 82 38.556 2.960 40.489 1.00 0.00 H new ATOM 0 HA2 GLY A 82 36.760 3.984 38.628 1.00 0.00 H new ATOM 0 HA3 GLY A 82 36.592 4.040 40.371 1.00 0.00 H new ATOM 571 N ALA A 83 38.462 6.246 40.365 1.00 0.00 N ATOM 572 CA ALA A 83 38.822 7.648 40.433 1.00 0.00 C ATOM 573 C ALA A 83 39.187 8.166 39.049 1.00 0.00 C ATOM 574 O ALA A 83 38.487 9.030 38.526 1.00 0.00 O ATOM 575 CB ALA A 83 39.988 7.828 41.402 1.00 0.00 C ATOM 0 H ALA A 83 38.982 5.650 41.009 1.00 0.00 H new ATOM 0 HA ALA A 83 37.970 8.223 40.796 1.00 0.00 H new ATOM 0 HB1 ALA A 83 40.259 8.883 41.453 1.00 0.00 H new ATOM 0 HB2 ALA A 83 39.695 7.480 42.393 1.00 0.00 H new ATOM 0 HB3 ALA A 83 40.844 7.250 41.053 1.00 0.00 H new ATOM 578 N LYS A 84 40.285 7.649 38.481 1.00 0.00 N ATOM 579 CA LYS A 84 40.744 8.047 37.153 1.00 0.00 C ATOM 580 C LYS A 84 39.577 8.039 36.175 1.00 0.00 C ATOM 581 O LYS A 84 39.507 8.867 35.272 1.00 0.00 O ATOM 582 CB LYS A 84 41.846 7.098 36.691 1.00 0.00 C ATOM 0 H LYS A 84 40.874 6.947 38.930 1.00 0.00 H new ATOM 0 HA LYS A 84 41.147 9.059 37.193 1.00 0.00 H new ATOM 585 N GLY A 85 38.690 7.070 36.391 1.00 0.00 N ATOM 586 CA GLY A 85 37.480 6.945 35.600 1.00 0.00 C ATOM 587 C GLY A 85 36.798 8.307 35.631 1.00 0.00 C ATOM 588 O GLY A 85 36.691 8.981 34.608 1.00 0.00 O ATOM 0 H GLY A 85 38.793 6.358 37.114 1.00 0.00 H new ATOM 0 HA2 GLY A 85 37.714 6.652 34.577 1.00 0.00 H new ATOM 0 HA3 GLY A 85 36.827 6.175 36.010 1.00 0.00 H new ATOM 592 N LYS A 86 36.358 8.688 36.831 1.00 0.00 N ATOM 593 CA LYS A 86 35.744 9.983 37.058 1.00 0.00 C ATOM 594 C LYS A 86 36.603 11.093 36.453 1.00 0.00 C ATOM 595 O LYS A 86 36.076 11.994 35.804 1.00 0.00 O ATOM 596 CB LYS A 86 35.563 10.200 38.557 1.00 0.00 C ATOM 0 H LYS A 86 36.420 8.105 37.666 1.00 0.00 H new ATOM 0 HA LYS A 86 34.768 10.010 36.573 1.00 0.00 H new ATOM 599 N ALA A 87 37.923 11.020 36.667 1.00 0.00 N ATOM 600 CA ALA A 87 38.849 12.019 36.156 1.00 0.00 C ATOM 601 C ALA A 87 38.649 12.231 34.660 1.00 0.00 C ATOM 602 O ALA A 87 38.472 13.358 34.198 1.00 0.00 O ATOM 603 CB ALA A 87 40.280 11.579 36.451 1.00 0.00 C ATOM 0 H ALA A 87 38.369 10.270 37.196 1.00 0.00 H new ATOM 0 HA ALA A 87 38.656 12.970 36.653 1.00 0.00 H new ATOM 0 HB1 ALA A 87 40.976 12.326 36.069 1.00 0.00 H new ATOM 0 HB2 ALA A 87 40.414 11.475 37.528 1.00 0.00 H new ATOM 0 HB3 ALA A 87 40.473 10.622 35.967 1.00 0.00 H new ATOM 606 N MET A 88 38.680 11.133 33.906 1.00 0.00 N ATOM 607 CA MET A 88 38.481 11.174 32.475 1.00 0.00 C ATOM 608 C MET A 88 37.142 11.843 32.222 1.00 0.00 C ATOM 609 O MET A 88 37.020 12.641 31.300 1.00 0.00 O ATOM 610 CB MET A 88 38.504 9.756 31.911 1.00 0.00 C ATOM 0 H MET A 88 38.844 10.197 34.277 1.00 0.00 H new ATOM 0 HA MET A 88 39.274 11.736 31.981 1.00 0.00 H new ATOM 613 N HIS A 89 36.150 11.521 33.057 1.00 0.00 N ATOM 614 CA HIS A 89 34.831 12.128 32.957 1.00 0.00 C ATOM 615 C HIS A 89 34.967 13.644 33.088 1.00 0.00 C ATOM 616 O HIS A 89 34.289 14.397 32.393 1.00 0.00 O ATOM 617 CB HIS A 89 33.929 11.566 34.052 1.00 0.00 C ATOM 0 H HIS A 89 36.242 10.840 33.811 1.00 0.00 H new ATOM 0 HA HIS A 89 34.383 11.899 31.990 1.00 0.00 H new ATOM 620 N GLU A 90 35.823 14.065 34.024 1.00 0.00 N ATOM 621 CA GLU A 90 36.108 15.483 34.213 1.00 0.00 C ATOM 622 C GLU A 90 36.487 16.079 32.854 1.00 0.00 C ATOM 623 O GLU A 90 36.103 17.195 32.512 1.00 0.00 O ATOM 624 CB GLU A 90 37.239 15.652 35.223 1.00 0.00 C ATOM 0 H GLU A 90 36.326 13.444 34.658 1.00 0.00 H new ATOM 0 HA GLU A 90 35.234 16.003 34.604 1.00 0.00 H new ATOM 627 N ALA A 91 37.232 15.280 32.090 1.00 0.00 N ATOM 628 CA ALA A 91 37.644 15.663 30.741 1.00 0.00 C ATOM 629 C ALA A 91 36.444 15.576 29.786 1.00 0.00 C ATOM 630 O ALA A 91 36.279 16.388 28.877 1.00 0.00 O ATOM 631 CB ALA A 91 38.759 14.730 30.282 1.00 0.00 C ATOM 0 H ALA A 91 37.563 14.361 32.384 1.00 0.00 H new ATOM 0 HA ALA A 91 38.010 16.690 30.741 1.00 0.00 H new ATOM 0 HB1 ALA A 91 39.074 15.007 29.276 1.00 0.00 H new ATOM 0 HB2 ALA A 91 39.606 14.812 30.963 1.00 0.00 H new ATOM 0 HB3 ALA A 91 38.395 13.703 30.278 1.00 0.00 H new ATOM 634 N GLY A 92 35.622 14.564 30.046 1.00 0.00 N ATOM 635 CA GLY A 92 34.423 14.292 29.282 1.00 0.00 C ATOM 636 C GLY A 92 33.544 15.535 29.240 1.00 0.00 C ATOM 637 O GLY A 92 33.353 16.128 28.179 1.00 0.00 O ATOM 0 H GLY A 92 35.778 13.903 30.807 1.00 0.00 H new ATOM 0 HA2 GLY A 92 34.687 13.988 28.269 1.00 0.00 H new ATOM 0 HA3 GLY A 92 33.875 13.463 29.731 1.00 0.00 H new ATOM 641 N GLY A 93 33.008 15.936 30.396 1.00 0.00 N ATOM 642 CA GLY A 93 32.153 17.099 30.486 1.00 0.00 C ATOM 643 C GLY A 93 32.935 18.353 30.131 1.00 0.00 C ATOM 644 O GLY A 93 32.405 19.237 29.463 1.00 0.00 O ATOM 0 H GLY A 93 33.160 15.460 31.285 1.00 0.00 H new ATOM 0 HA2 GLY A 93 31.304 16.988 29.812 1.00 0.00 H new ATOM 0 HA3 GLY A 93 31.750 17.186 31.495 1.00 0.00 H new ATOM 648 N ALA A 94 34.194 18.434 30.571 1.00 0.00 N ATOM 649 CA ALA A 94 35.038 19.579 30.292 1.00 0.00 C ATOM 650 C ALA A 94 35.096 19.846 28.795 1.00 0.00 C ATOM 651 O ALA A 94 34.960 20.990 28.366 1.00 0.00 O ATOM 652 CB ALA A 94 36.437 19.321 30.846 1.00 0.00 C ATOM 0 H ALA A 94 34.646 17.708 31.126 1.00 0.00 H new ATOM 0 HA ALA A 94 34.619 20.462 30.775 1.00 0.00 H new ATOM 0 HB1 ALA A 94 37.075 20.180 30.638 1.00 0.00 H new ATOM 0 HB2 ALA A 94 36.379 19.165 31.923 1.00 0.00 H new ATOM 0 HB3 ALA A 94 36.858 18.434 30.373 1.00 0.00 H new ATOM 655 N VAL A 95 35.292 18.795 27.993 1.00 0.00 N ATOM 656 CA VAL A 95 35.352 18.937 26.552 1.00 0.00 C ATOM 657 C VAL A 95 33.996 19.420 26.066 1.00 0.00 C ATOM 658 O VAL A 95 33.916 20.268 25.181 1.00 0.00 O ATOM 659 CB VAL A 95 35.710 17.593 25.922 1.00 0.00 C ATOM 0 H VAL A 95 35.411 17.839 28.327 1.00 0.00 H new ATOM 0 HA VAL A 95 36.117 19.659 26.266 1.00 0.00 H new ATOM 662 N ILE A 96 32.934 18.870 26.658 1.00 0.00 N ATOM 663 CA ILE A 96 31.582 19.265 26.313 1.00 0.00 C ATOM 664 C ILE A 96 31.450 20.774 26.483 1.00 0.00 C ATOM 665 O ILE A 96 31.000 21.473 25.577 1.00 0.00 O ATOM 666 CB ILE A 96 30.591 18.528 27.209 1.00 0.00 C ATOM 0 H ILE A 96 32.992 18.150 27.378 1.00 0.00 H new ATOM 0 HA ILE A 96 31.365 19.006 25.277 1.00 0.00 H new ATOM 669 N ALA A 97 31.860 21.270 27.653 1.00 0.00 N ATOM 670 CA ALA A 97 31.804 22.687 27.955 1.00 0.00 C ATOM 671 C ALA A 97 32.638 23.468 26.948 1.00 0.00 C ATOM 672 O ALA A 97 32.159 24.439 26.367 1.00 0.00 O ATOM 673 CB ALA A 97 32.313 22.922 29.374 1.00 0.00 C ATOM 0 H ALA A 97 32.237 20.697 28.408 1.00 0.00 H new ATOM 0 HA ALA A 97 30.773 23.035 27.887 1.00 0.00 H new ATOM 0 HB1 ALA A 97 32.272 23.987 29.604 1.00 0.00 H new ATOM 0 HB2 ALA A 97 31.689 22.374 30.080 1.00 0.00 H new ATOM 0 HB3 ALA A 97 33.343 22.573 29.454 1.00 0.00 H new ATOM 676 N ALA A 98 33.887 23.039 26.744 1.00 0.00 N ATOM 677 CA ALA A 98 34.784 23.693 25.810 1.00 0.00 C ATOM 678 C ALA A 98 34.129 23.777 24.439 1.00 0.00 C ATOM 679 O ALA A 98 34.241 24.792 23.755 1.00 0.00 O ATOM 680 CB ALA A 98 36.094 22.913 25.735 1.00 0.00 C ATOM 0 H ALA A 98 34.294 22.235 27.221 1.00 0.00 H new ATOM 0 HA ALA A 98 34.997 24.706 26.152 1.00 0.00 H new ATOM 0 HB1 ALA A 98 36.769 23.403 25.034 1.00 0.00 H new ATOM 0 HB2 ALA A 98 36.556 22.882 26.722 1.00 0.00 H new ATOM 0 HB3 ALA A 98 35.893 21.897 25.396 1.00 0.00 H new ATOM 683 N ALA A 99 33.437 22.704 24.048 1.00 0.00 N ATOM 684 CA ALA A 99 32.753 22.653 22.772 1.00 0.00 C ATOM 685 C ALA A 99 31.800 23.834 22.677 1.00 0.00 C ATOM 686 O ALA A 99 31.793 24.546 21.675 1.00 0.00 O ATOM 687 CB ALA A 99 31.995 21.333 22.654 1.00 0.00 C ATOM 0 H ALA A 99 33.341 21.857 24.608 1.00 0.00 H new ATOM 0 HA ALA A 99 33.471 22.711 21.954 1.00 0.00 H new ATOM 0 HB1 ALA A 99 31.480 21.294 21.694 1.00 0.00 H new ATOM 0 HB2 ALA A 99 32.698 20.503 22.723 1.00 0.00 H new ATOM 0 HB3 ALA A 99 31.265 21.259 23.460 1.00 0.00 H new ATOM 690 N ASN A 100 31.001 24.036 23.729 1.00 0.00 N ATOM 691 CA ASN A 100 30.054 25.133 23.787 1.00 0.00 C ATOM 692 C ASN A 100 30.753 26.450 23.480 1.00 0.00 C ATOM 693 O ASN A 100 30.185 27.307 22.807 1.00 0.00 O ATOM 694 CB ASN A 100 29.414 25.173 25.172 1.00 0.00 C ATOM 0 H ASN A 100 30.999 23.441 24.557 1.00 0.00 H new ATOM 0 HA ASN A 100 29.276 24.981 23.039 1.00 0.00 H new ATOM 697 N ALA A 101 31.985 26.609 23.973 1.00 0.00 N ATOM 698 CA ALA A 101 32.758 27.814 23.741 1.00 0.00 C ATOM 699 C ALA A 101 33.058 27.959 22.254 1.00 0.00 C ATOM 700 O ALA A 101 32.185 28.347 21.481 1.00 0.00 O ATOM 701 CB ALA A 101 34.044 27.762 24.561 1.00 0.00 C ATOM 0 H ALA A 101 32.464 25.908 24.538 1.00 0.00 H new ATOM 0 HA ALA A 101 32.184 28.686 24.056 1.00 0.00 H new ATOM 0 HB1 ALA A 101 34.624 28.668 24.386 1.00 0.00 H new ATOM 0 HB2 ALA A 101 33.797 27.688 25.620 1.00 0.00 H new ATOM 0 HB3 ALA A 101 34.630 26.893 24.263 1.00 0.00 H new ATOM 704 N GLY A 102 34.295 27.665 21.844 1.00 0.00 N ATOM 705 CA GLY A 102 34.668 27.765 20.448 1.00 0.00 C ATOM 706 C GLY A 102 36.179 27.689 20.269 1.00 0.00 C ATOM 707 O GLY A 102 36.659 26.873 19.485 1.00 0.00 O ATOM 0 H GLY A 102 35.045 27.358 22.463 1.00 0.00 H new ATOM 0 HA2 GLY A 102 34.193 26.962 19.885 1.00 0.00 H new ATOM 0 HA3 GLY A 102 34.298 28.705 20.038 1.00 0.00 H new ATOM 711 N ASP A 103 36.914 28.548 20.984 1.00 0.00 N ATOM 712 CA ASP A 103 38.364 28.627 20.912 1.00 0.00 C ATOM 713 C ASP A 103 39.058 27.272 20.863 1.00 0.00 C ATOM 714 O ASP A 103 38.805 26.395 21.689 1.00 0.00 O ATOM 715 CB ASP A 103 38.877 29.438 22.098 1.00 0.00 C ATOM 0 H ASP A 103 36.504 29.216 21.637 1.00 0.00 H new ATOM 0 HA ASP A 103 38.608 29.116 19.969 1.00 0.00 H new ATOM 718 N GLY A 104 39.952 27.121 19.882 1.00 0.00 N ATOM 719 CA GLY A 104 40.714 25.903 19.709 1.00 0.00 C ATOM 720 C GLY A 104 41.887 25.885 20.683 1.00 0.00 C ATOM 721 O GLY A 104 42.610 24.893 20.762 1.00 0.00 O ATOM 0 H GLY A 104 40.160 27.843 19.192 1.00 0.00 H new ATOM 0 HA2 GLY A 104 40.075 25.036 19.879 1.00 0.00 H new ATOM 0 HA3 GLY A 104 41.079 25.834 18.684 1.00 0.00 H new ATOM 725 N ALA A 105 42.074 26.985 21.424 1.00 0.00 N ATOM 726 CA ALA A 105 43.150 27.105 22.386 1.00 0.00 C ATOM 727 C ALA A 105 42.679 26.390 23.639 1.00 0.00 C ATOM 728 O ALA A 105 43.416 25.625 24.257 1.00 0.00 O ATOM 729 CB ALA A 105 43.426 28.579 22.665 1.00 0.00 C ATOM 0 H ALA A 105 41.478 27.810 21.365 1.00 0.00 H new ATOM 0 HA ALA A 105 44.078 26.666 22.020 1.00 0.00 H new ATOM 0 HB1 ALA A 105 44.236 28.667 23.389 1.00 0.00 H new ATOM 0 HB2 ALA A 105 43.712 29.077 21.739 1.00 0.00 H new ATOM 0 HB3 ALA A 105 42.528 29.048 23.067 1.00 0.00 H new ATOM 732 N ALA A 106 41.419 26.659 23.990 1.00 0.00 N ATOM 733 CA ALA A 106 40.789 26.063 25.146 1.00 0.00 C ATOM 734 C ALA A 106 40.473 24.615 24.817 1.00 0.00 C ATOM 735 O ALA A 106 40.515 23.754 25.693 1.00 0.00 O ATOM 736 CB ALA A 106 39.517 26.835 25.488 1.00 0.00 C ATOM 0 H ALA A 106 40.815 27.298 23.473 1.00 0.00 H new ATOM 0 HA ALA A 106 41.450 26.102 26.012 1.00 0.00 H new ATOM 0 HB1 ALA A 106 39.042 26.385 26.360 1.00 0.00 H new ATOM 0 HB2 ALA A 106 39.769 27.873 25.707 1.00 0.00 H new ATOM 0 HB3 ALA A 106 38.831 26.799 24.642 1.00 0.00 H new ATOM 739 N PHE A 107 40.166 24.342 23.546 1.00 0.00 N ATOM 740 CA PHE A 107 39.870 22.993 23.113 1.00 0.00 C ATOM 741 C PHE A 107 41.075 22.104 23.387 1.00 0.00 C ATOM 742 O PHE A 107 40.976 21.156 24.160 1.00 0.00 O ATOM 743 CB PHE A 107 39.519 22.992 21.628 1.00 0.00 C ATOM 0 H PHE A 107 40.119 25.043 22.807 1.00 0.00 H new ATOM 0 HA PHE A 107 39.014 22.605 23.665 1.00 0.00 H new ATOM 746 N GLY A 108 42.211 22.402 22.748 1.00 0.00 N ATOM 747 CA GLY A 108 43.425 21.625 22.928 1.00 0.00 C ATOM 748 C GLY A 108 43.917 21.640 24.373 1.00 0.00 C ATOM 749 O GLY A 108 44.414 20.631 24.871 1.00 0.00 O ATOM 0 H GLY A 108 42.307 23.183 22.099 1.00 0.00 H new ATOM 0 HA2 GLY A 108 43.243 20.595 22.620 1.00 0.00 H new ATOM 0 HA3 GLY A 108 44.205 22.019 22.277 1.00 0.00 H new ATOM 753 N ALA A 109 43.773 22.779 25.053 1.00 0.00 N ATOM 754 CA ALA A 109 44.229 22.905 26.426 1.00 0.00 C ATOM 755 C ALA A 109 43.411 21.976 27.310 1.00 0.00 C ATOM 756 O ALA A 109 43.953 21.091 27.971 1.00 0.00 O ATOM 757 CB ALA A 109 44.084 24.355 26.880 1.00 0.00 C ATOM 0 H ALA A 109 43.344 23.622 24.671 1.00 0.00 H new ATOM 0 HA ALA A 109 45.280 22.625 26.500 1.00 0.00 H new ATOM 0 HB1 ALA A 109 44.426 24.450 27.911 1.00 0.00 H new ATOM 0 HB2 ALA A 109 44.684 24.999 26.238 1.00 0.00 H new ATOM 0 HB3 ALA A 109 43.038 24.653 26.816 1.00 0.00 H new ATOM 760 N ALA A 110 42.095 22.186 27.307 1.00 0.00 N ATOM 761 CA ALA A 110 41.192 21.363 28.084 1.00 0.00 C ATOM 762 C ALA A 110 41.390 19.913 27.664 1.00 0.00 C ATOM 763 O ALA A 110 41.389 19.011 28.499 1.00 0.00 O ATOM 764 CB ALA A 110 39.754 21.811 27.838 1.00 0.00 C ATOM 0 H ALA A 110 41.637 22.923 26.771 1.00 0.00 H new ATOM 0 HA ALA A 110 41.398 21.462 29.150 1.00 0.00 H new ATOM 0 HB1 ALA A 110 39.075 21.191 28.423 1.00 0.00 H new ATOM 0 HB2 ALA A 110 39.642 22.853 28.136 1.00 0.00 H new ATOM 0 HB3 ALA A 110 39.517 21.709 26.779 1.00 0.00 H new ATOM 767 N LEU A 111 41.575 19.701 26.359 1.00 0.00 N ATOM 768 CA LEU A 111 41.772 18.382 25.799 1.00 0.00 C ATOM 769 C LEU A 111 43.088 17.771 26.254 1.00 0.00 C ATOM 770 O LEU A 111 43.229 16.549 26.233 1.00 0.00 O ATOM 771 CB LEU A 111 41.724 18.465 24.276 1.00 0.00 C ATOM 0 H LEU A 111 41.591 20.450 25.666 1.00 0.00 H new ATOM 0 HA LEU A 111 40.971 17.734 26.157 1.00 0.00 H new ATOM 774 N GLN A 112 44.055 18.593 26.676 1.00 0.00 N ATOM 775 CA GLN A 112 45.339 18.107 27.139 1.00 0.00 C ATOM 776 C GLN A 112 45.147 17.631 28.567 1.00 0.00 C ATOM 777 O GLN A 112 45.767 16.658 28.992 1.00 0.00 O ATOM 778 CB GLN A 112 46.364 19.235 27.075 1.00 0.00 C ATOM 0 H GLN A 112 43.961 19.608 26.702 1.00 0.00 H new ATOM 0 HA GLN A 112 45.705 17.290 26.517 1.00 0.00 H new ATOM 781 N LYS A 113 44.265 18.313 29.302 1.00 0.00 N ATOM 782 CA LYS A 113 43.954 17.921 30.659 1.00 0.00 C ATOM 783 C LYS A 113 43.397 16.509 30.569 1.00 0.00 C ATOM 784 O LYS A 113 43.744 15.640 31.366 1.00 0.00 O ATOM 785 CB LYS A 113 42.928 18.882 31.251 1.00 0.00 C ATOM 0 H LYS A 113 43.760 19.136 28.972 1.00 0.00 H new ATOM 0 HA LYS A 113 44.830 17.950 31.307 1.00 0.00 H new ATOM 788 N LEU A 114 42.542 16.291 29.566 1.00 0.00 N ATOM 789 CA LEU A 114 41.952 14.994 29.314 1.00 0.00 C ATOM 790 C LEU A 114 43.040 14.051 28.823 1.00 0.00 C ATOM 791 O LEU A 114 42.965 12.843 29.036 1.00 0.00 O ATOM 792 CB LEU A 114 40.866 15.139 28.252 1.00 0.00 C ATOM 0 H LEU A 114 42.246 17.015 28.912 1.00 0.00 H new ATOM 0 HA LEU A 114 41.508 14.593 30.225 1.00 0.00 H new ATOM 795 N GLY A 115 44.059 14.616 28.169 1.00 0.00 N ATOM 796 CA GLY A 115 45.160 13.838 27.641 1.00 0.00 C ATOM 797 C GLY A 115 45.992 13.256 28.775 1.00 0.00 C ATOM 798 O GLY A 115 46.405 12.101 28.711 1.00 0.00 O ATOM 0 H GLY A 115 44.135 15.618 27.997 1.00 0.00 H new ATOM 0 HA2 GLY A 115 44.777 13.034 27.013 1.00 0.00 H new ATOM 0 HA3 GLY A 115 45.786 14.466 27.008 1.00 0.00 H new ATOM 802 N GLY A 116 46.229 14.055 29.819 1.00 0.00 N ATOM 803 CA GLY A 116 47.012 13.624 30.960 1.00 0.00 C ATOM 804 C GLY A 116 46.153 12.779 31.889 1.00 0.00 C ATOM 805 O GLY A 116 46.673 11.969 32.652 1.00 0.00 O ATOM 0 H GLY A 116 45.882 15.012 29.889 1.00 0.00 H new ATOM 0 HA2 GLY A 116 47.874 13.048 30.624 1.00 0.00 H new ATOM 0 HA3 GLY A 116 47.398 14.491 31.496 1.00 0.00 H new ATOM 809 N THR A 117 44.833 12.966 31.819 1.00 0.00 N ATOM 810 CA THR A 117 43.910 12.219 32.650 1.00 0.00 C ATOM 811 C THR A 117 43.946 10.751 32.249 1.00 0.00 C ATOM 812 O THR A 117 44.180 9.882 33.086 1.00 0.00 O ATOM 813 CB THR A 117 42.505 12.791 32.490 1.00 0.00 C ATOM 0 H THR A 117 44.386 13.633 31.190 1.00 0.00 H new ATOM 0 HA THR A 117 44.200 12.301 33.698 1.00 0.00 H new ATOM 816 N CYS A 118 43.717 10.479 30.963 1.00 0.00 N ATOM 817 CA CYS A 118 43.728 9.123 30.452 1.00 0.00 C ATOM 818 C CYS A 118 45.131 8.544 30.573 1.00 0.00 C ATOM 819 O CYS A 118 45.302 7.420 31.040 1.00 0.00 O ATOM 820 CB CYS A 118 43.268 9.125 28.997 1.00 0.00 C ATOM 0 H CYS A 118 43.521 11.191 30.259 1.00 0.00 H new ATOM 0 HA CYS A 118 43.046 8.503 31.033 1.00 0.00 H new ATOM 823 N LYS A 119 46.135 9.318 30.156 1.00 0.00 N ATOM 824 CA LYS A 119 47.516 8.882 30.220 1.00 0.00 C ATOM 825 C LYS A 119 47.869 8.513 31.654 1.00 0.00 C ATOM 826 O LYS A 119 48.451 7.460 31.900 1.00 0.00 O ATOM 827 CB LYS A 119 48.423 9.998 29.710 1.00 0.00 C ATOM 0 H LYS A 119 46.008 10.253 29.770 1.00 0.00 H new ATOM 0 HA LYS A 119 47.657 8.002 29.592 1.00 0.00 H new ATOM 830 N ALA A 120 47.508 9.382 32.601 1.00 0.00 N ATOM 831 CA ALA A 120 47.784 9.145 34.003 1.00 0.00 C ATOM 832 C ALA A 120 47.160 7.823 34.428 1.00 0.00 C ATOM 833 O ALA A 120 47.774 7.052 35.161 1.00 0.00 O ATOM 834 CB ALA A 120 47.225 10.297 34.833 1.00 0.00 C ATOM 0 H ALA A 120 47.022 10.258 32.412 1.00 0.00 H new ATOM 0 HA ALA A 120 48.861 9.089 34.164 1.00 0.00 H new ATOM 0 HB1 ALA A 120 47.432 10.119 35.888 1.00 0.00 H new ATOM 0 HB2 ALA A 120 47.695 11.230 34.523 1.00 0.00 H new ATOM 0 HB3 ALA A 120 46.148 10.365 34.681 1.00 0.00 H new ATOM 837 N CYS A 121 45.936 7.565 33.964 1.00 0.00 N ATOM 838 CA CYS A 121 45.233 6.341 34.291 1.00 0.00 C ATOM 839 C CYS A 121 46.081 5.128 33.928 1.00 0.00 C ATOM 840 O CYS A 121 46.222 4.206 34.729 1.00 0.00 O ATOM 841 CB CYS A 121 43.902 6.308 33.546 1.00 0.00 C ATOM 0 H CYS A 121 45.415 8.198 33.357 1.00 0.00 H new ATOM 0 HA CYS A 121 45.042 6.310 35.364 1.00 0.00 H new ATOM 844 N HIS A 122 46.648 5.130 32.720 1.00 0.00 N ATOM 845 CA HIS A 122 47.465 4.026 32.253 1.00 0.00 C ATOM 846 C HIS A 122 48.813 4.013 32.962 1.00 0.00 C ATOM 847 O HIS A 122 49.163 3.027 33.607 1.00 0.00 O ATOM 848 CB HIS A 122 47.655 4.142 30.743 1.00 0.00 C ATOM 0 H HIS A 122 46.551 5.892 32.049 1.00 0.00 H new ATOM 0 HA HIS A 122 46.960 3.088 32.482 1.00 0.00 H new ATOM 851 N ASP A 123 49.569 5.107 32.830 1.00 0.00 N ATOM 852 CA ASP A 123 50.880 5.228 33.442 1.00 0.00 C ATOM 853 C ASP A 123 50.817 4.897 34.927 1.00 0.00 C ATOM 854 O ASP A 123 51.782 4.385 35.490 1.00 0.00 O ATOM 855 CB ASP A 123 51.403 6.646 33.232 1.00 0.00 C ATOM 0 H ASP A 123 49.283 5.928 32.296 1.00 0.00 H new ATOM 0 HA ASP A 123 51.560 4.518 32.972 1.00 0.00 H new ATOM 858 N ASP A 124 49.674 5.179 35.556 1.00 0.00 N ATOM 859 CA ASP A 124 49.486 4.912 36.968 1.00 0.00 C ATOM 860 C ASP A 124 49.222 3.428 37.174 1.00 0.00 C ATOM 861 O ASP A 124 50.028 2.732 37.788 1.00 0.00 O ATOM 862 CB ASP A 124 48.321 5.747 37.491 1.00 0.00 C ATOM 0 H ASP A 124 48.863 5.596 35.098 1.00 0.00 H new ATOM 0 HA ASP A 124 50.385 5.184 37.521 1.00 0.00 H new ATOM 865 N TYR A 125 48.088 2.946 36.660 1.00 0.00 N ATOM 866 CA TYR A 125 47.723 1.550 36.784 1.00 0.00 C ATOM 867 C TYR A 125 48.546 0.721 35.809 1.00 0.00 C ATOM 868 O TYR A 125 48.036 -0.223 35.209 1.00 0.00 O ATOM 869 CB TYR A 125 46.231 1.386 36.511 1.00 0.00 C ATOM 0 H TYR A 125 47.409 3.513 36.153 1.00 0.00 H new ATOM 0 HA TYR A 125 47.930 1.202 37.796 1.00 0.00 H new ATOM 872 N ARG A 126 49.821 1.084 35.648 1.00 0.00 N ATOM 873 CA ARG A 126 50.716 0.381 34.750 1.00 0.00 C ATOM 874 C ARG A 126 51.190 -0.906 35.408 1.00 0.00 C ATOM 875 O ARG A 126 50.710 -1.269 36.481 1.00 0.00 O ATOM 876 CB ARG A 126 51.901 1.280 34.411 1.00 0.00 C ATOM 0 H ARG A 126 50.252 1.869 36.137 1.00 0.00 H new ATOM 0 HA ARG A 126 50.193 0.127 33.828 1.00 0.00 H new ATOM 879 N GLU A 127 52.136 -1.593 34.763 1.00 0.00 N ATOM 880 CA GLU A 127 52.677 -2.833 35.285 1.00 0.00 C ATOM 881 C GLU A 127 54.022 -3.124 34.634 1.00 0.00 C ATOM 882 O GLU A 127 54.401 -2.466 33.668 1.00 0.00 O ATOM 883 CB GLU A 127 51.692 -3.969 35.026 1.00 0.00 C ATOM 0 H GLU A 127 52.540 -1.302 33.873 1.00 0.00 H new ATOM 0 HA GLU A 127 52.829 -2.742 36.361 1.00 0.00 H new ATOM 886 N GLU A 128 54.744 -4.111 35.170 1.00 0.00 N ATOM 887 CA GLU A 128 56.042 -4.485 34.646 1.00 0.00 C ATOM 888 C GLU A 128 56.667 -5.549 35.536 1.00 0.00 C ATOM 889 O GLU A 128 56.059 -5.977 36.515 1.00 0.00 O ATOM 890 CB GLU A 128 56.935 -3.250 34.570 1.00 0.00 C ATOM 0 H GLU A 128 54.441 -4.664 35.972 1.00 0.00 H new ATOM 0 HA GLU A 128 55.930 -4.897 33.643 1.00 0.00 H new ATOM 893 N ASP A 129 57.887 -5.973 35.197 1.00 0.00 N ATOM 894 CA ASP A 129 58.588 -6.981 35.965 1.00 0.00 C ATOM 895 C ASP A 129 59.898 -7.335 35.277 1.00 0.00 C ATOM 896 O ASP A 129 60.644 -8.151 35.861 1.00 0.00 O ATOM 897 CB ASP A 129 57.702 -8.216 36.111 1.00 0.00 C ATOM 0 H ASP A 129 58.404 -5.626 34.389 1.00 0.00 H new ATOM 0 HA ASP A 129 58.816 -6.594 36.958 1.00 0.00 H new TER 900 ASP A 129 HETATM 901 FE HEM A 130 43.313 4.263 28.864 1.00 0.00 FE