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 33.816 -18.833 29.999 1.00 0.00 N ATOM 2 CA ALA A 1 35.042 -18.484 30.689 1.00 0.00 C ATOM 3 C ALA A 1 35.118 -16.972 30.843 1.00 0.00 C ATOM 4 O ALA A 1 35.191 -16.463 31.960 1.00 0.00 O ATOM 5 CB ALA A 1 35.066 -19.172 32.051 1.00 0.00 C ATOM 0 H1 ALA A 1 33.760 -19.866 29.892 1.00 0.00 H new ATOM 0 H2 ALA A 1 33.000 -18.497 30.550 1.00 0.00 H new ATOM 0 H3 ALA A 1 33.807 -18.386 29.060 1.00 0.00 H new ATOM 0 HA ALA A 1 35.906 -18.819 30.115 1.00 0.00 H new ATOM 0 HB1 ALA A 1 35.987 -18.912 32.574 1.00 0.00 H new ATOM 0 HB2 ALA A 1 34.209 -18.844 32.640 1.00 0.00 H new ATOM 0 HB3 ALA A 1 35.019 -20.252 31.914 1.00 0.00 H new ATOM 7 N ASP A 2 35.100 -16.254 29.718 1.00 0.00 N ATOM 8 CA ASP A 2 35.167 -14.806 29.734 1.00 0.00 C ATOM 9 C ASP A 2 35.193 -14.276 28.307 1.00 0.00 C ATOM 10 O ASP A 2 34.296 -13.536 27.908 1.00 0.00 O ATOM 11 CB ASP A 2 36.411 -14.363 30.498 1.00 0.00 C ATOM 0 H ASP A 2 35.039 -16.661 28.785 1.00 0.00 H new ATOM 0 HA ASP A 2 34.287 -14.403 30.235 1.00 0.00 H new ATOM 14 N THR A 3 36.230 -14.651 27.552 1.00 0.00 N ATOM 15 CA THR A 3 36.392 -14.227 26.173 1.00 0.00 C ATOM 16 C THR A 3 36.864 -12.780 26.134 1.00 0.00 C ATOM 17 O THR A 3 36.657 -12.034 27.089 1.00 0.00 O ATOM 18 CB THR A 3 35.089 -14.412 25.399 1.00 0.00 C ATOM 0 H THR A 3 36.978 -15.258 27.888 1.00 0.00 H new ATOM 0 HA THR A 3 37.148 -14.847 25.691 1.00 0.00 H new ATOM 21 N LYS A 4 37.509 -12.394 25.030 1.00 0.00 N ATOM 22 CA LYS A 4 38.026 -11.049 24.870 1.00 0.00 C ATOM 23 C LYS A 4 36.906 -10.090 24.493 1.00 0.00 C ATOM 24 O LYS A 4 37.152 -9.074 23.849 1.00 0.00 O ATOM 25 CB LYS A 4 39.114 -11.051 23.799 1.00 0.00 C ATOM 0 H LYS A 4 37.682 -13.006 24.233 1.00 0.00 H new ATOM 0 HA LYS A 4 38.454 -10.712 25.814 1.00 0.00 H new ATOM 28 N GLU A 5 35.672 -10.419 24.879 1.00 0.00 N ATOM 29 CA GLU A 5 34.528 -9.580 24.579 1.00 0.00 C ATOM 30 C GLU A 5 34.607 -8.274 25.359 1.00 0.00 C ATOM 31 O GLU A 5 34.647 -7.198 24.768 1.00 0.00 O ATOM 32 CB GLU A 5 33.246 -10.334 24.921 1.00 0.00 C ATOM 0 H GLU A 5 35.447 -11.265 25.402 1.00 0.00 H new ATOM 0 HA GLU A 5 34.527 -9.337 23.516 1.00 0.00 H new ATOM 35 N VAL A 6 34.625 -8.372 26.690 1.00 0.00 N ATOM 36 CA VAL A 6 34.681 -7.206 27.550 1.00 0.00 C ATOM 37 C VAL A 6 35.936 -6.388 27.279 1.00 0.00 C ATOM 38 O VAL A 6 35.881 -5.160 27.259 1.00 0.00 O ATOM 39 CB VAL A 6 34.633 -7.650 29.009 1.00 0.00 C ATOM 0 H VAL A 6 34.601 -9.260 27.192 1.00 0.00 H new ATOM 0 HA VAL A 6 33.821 -6.570 27.339 1.00 0.00 H new ATOM 42 N LEU A 7 37.068 -7.062 27.066 1.00 0.00 N ATOM 43 CA LEU A 7 38.320 -6.379 26.804 1.00 0.00 C ATOM 44 C LEU A 7 38.279 -5.750 25.419 1.00 0.00 C ATOM 45 O LEU A 7 38.582 -4.571 25.267 1.00 0.00 O ATOM 46 CB LEU A 7 39.474 -7.370 26.916 1.00 0.00 C ATOM 0 H LEU A 7 37.135 -8.080 27.071 1.00 0.00 H new ATOM 0 HA LEU A 7 38.470 -5.587 27.538 1.00 0.00 H new ATOM 49 N GLU A 8 37.908 -6.547 24.417 1.00 0.00 N ATOM 50 CA GLU A 8 37.820 -6.087 23.042 1.00 0.00 C ATOM 51 C GLU A 8 36.967 -4.829 22.941 1.00 0.00 C ATOM 52 O GLU A 8 37.372 -3.849 22.316 1.00 0.00 O ATOM 53 CB GLU A 8 37.245 -7.201 22.171 1.00 0.00 C ATOM 0 H GLU A 8 37.661 -7.529 24.542 1.00 0.00 H new ATOM 0 HA GLU A 8 38.820 -5.835 22.689 1.00 0.00 H new ATOM 56 N ALA A 9 35.780 -4.844 23.552 1.00 0.00 N ATOM 57 CA ALA A 9 34.907 -3.693 23.534 1.00 0.00 C ATOM 58 C ALA A 9 35.654 -2.575 24.232 1.00 0.00 C ATOM 59 O ALA A 9 35.604 -1.424 23.805 1.00 0.00 O ATOM 60 CB ALA A 9 33.601 -4.022 24.252 1.00 0.00 C ATOM 0 H ALA A 9 35.411 -5.646 24.063 1.00 0.00 H new ATOM 0 HA ALA A 9 34.647 -3.398 22.518 1.00 0.00 H new ATOM 0 HB1 ALA A 9 32.947 -3.150 24.235 1.00 0.00 H new ATOM 0 HB2 ALA A 9 33.109 -4.855 23.749 1.00 0.00 H new ATOM 0 HB3 ALA A 9 33.813 -4.297 25.285 1.00 0.00 H new ATOM 63 N ARG A 10 36.367 -2.928 25.304 1.00 0.00 N ATOM 64 CA ARG A 10 37.163 -1.971 26.037 1.00 0.00 C ATOM 65 C ARG A 10 38.195 -1.380 25.088 1.00 0.00 C ATOM 66 O ARG A 10 38.601 -0.231 25.251 1.00 0.00 O ATOM 67 CB ARG A 10 37.841 -2.667 27.214 1.00 0.00 C ATOM 0 H ARG A 10 36.402 -3.877 25.676 1.00 0.00 H new ATOM 0 HA ARG A 10 36.537 -1.171 26.432 1.00 0.00 H new ATOM 70 N GLU A 11 38.610 -2.155 24.080 1.00 0.00 N ATOM 71 CA GLU A 11 39.576 -1.670 23.118 1.00 0.00 C ATOM 72 C GLU A 11 38.897 -0.557 22.340 1.00 0.00 C ATOM 73 O GLU A 11 39.499 0.473 22.045 1.00 0.00 O ATOM 74 CB GLU A 11 40.000 -2.809 22.195 1.00 0.00 C ATOM 0 H GLU A 11 38.289 -3.110 23.919 1.00 0.00 H new ATOM 0 HA GLU A 11 40.476 -1.295 23.605 1.00 0.00 H new ATOM 77 N ALA A 12 37.619 -0.776 22.031 1.00 0.00 N ATOM 78 CA ALA A 12 36.820 0.191 21.303 1.00 0.00 C ATOM 79 C ALA A 12 36.708 1.464 22.132 1.00 0.00 C ATOM 80 O ALA A 12 36.891 2.564 21.616 1.00 0.00 O ATOM 81 CB ALA A 12 35.438 -0.397 21.035 1.00 0.00 C ATOM 0 H ALA A 12 37.116 -1.628 22.280 1.00 0.00 H new ATOM 0 HA ALA A 12 37.290 0.428 20.349 1.00 0.00 H new ATOM 0 HB1 ALA A 12 34.834 0.327 20.488 1.00 0.00 H new ATOM 0 HB2 ALA A 12 35.538 -1.307 20.443 1.00 0.00 H new ATOM 0 HB3 ALA A 12 34.953 -0.632 21.982 1.00 0.00 H new ATOM 84 N TYR A 13 36.411 1.303 23.423 1.00 0.00 N ATOM 85 CA TYR A 13 36.286 2.429 24.328 1.00 0.00 C ATOM 86 C TYR A 13 37.599 3.197 24.349 1.00 0.00 C ATOM 87 O TYR A 13 37.613 4.409 24.560 1.00 0.00 O ATOM 88 CB TYR A 13 35.932 1.922 25.723 1.00 0.00 C ATOM 0 H TYR A 13 36.253 0.395 23.860 1.00 0.00 H new ATOM 0 HA TYR A 13 35.493 3.097 23.992 1.00 0.00 H new ATOM 91 N PHE A 14 38.704 2.487 24.107 1.00 0.00 N ATOM 92 CA PHE A 14 40.017 3.095 24.089 1.00 0.00 C ATOM 93 C PHE A 14 40.150 3.917 22.816 1.00 0.00 C ATOM 94 O PHE A 14 40.819 4.947 22.805 1.00 0.00 O ATOM 95 CB PHE A 14 41.084 2.006 24.146 1.00 0.00 C ATOM 0 H PHE A 14 38.704 1.484 23.921 1.00 0.00 H new ATOM 0 HA PHE A 14 40.149 3.746 24.953 1.00 0.00 H new ATOM 98 N LYS A 15 39.500 3.458 21.744 1.00 0.00 N ATOM 99 CA LYS A 15 39.524 4.155 20.474 1.00 0.00 C ATOM 100 C LYS A 15 38.763 5.468 20.601 1.00 0.00 C ATOM 101 O LYS A 15 39.145 6.470 20.000 1.00 0.00 O ATOM 102 CB LYS A 15 38.899 3.270 19.399 1.00 0.00 C ATOM 0 H LYS A 15 38.949 2.599 21.740 1.00 0.00 H new ATOM 0 HA LYS A 15 40.553 4.376 20.190 1.00 0.00 H new ATOM 105 N SER A 16 37.686 5.462 21.390 1.00 0.00 N ATOM 106 CA SER A 16 36.885 6.653 21.598 1.00 0.00 C ATOM 107 C SER A 16 37.718 7.706 22.318 1.00 0.00 C ATOM 108 O SER A 16 38.006 8.765 21.758 1.00 0.00 O ATOM 109 CB SER A 16 35.643 6.296 22.410 1.00 0.00 C ATOM 0 H SER A 16 37.354 4.639 21.893 1.00 0.00 H new ATOM 0 HA SER A 16 36.567 7.059 20.638 1.00 0.00 H new ATOM 112 N LEU A 17 38.103 7.408 23.563 1.00 0.00 N ATOM 113 CA LEU A 17 38.913 8.319 24.348 1.00 0.00 C ATOM 114 C LEU A 17 40.174 8.635 23.560 1.00 0.00 C ATOM 115 O LEU A 17 40.684 9.754 23.604 1.00 0.00 O ATOM 116 CB LEU A 17 39.255 7.672 25.687 1.00 0.00 C ATOM 0 H LEU A 17 37.862 6.540 24.041 1.00 0.00 H new ATOM 0 HA LEU A 17 38.371 9.243 24.548 1.00 0.00 H new ATOM 119 N GLY A 18 40.654 7.640 22.811 1.00 0.00 N ATOM 120 CA GLY A 18 41.835 7.801 21.992 1.00 0.00 C ATOM 121 C GLY A 18 41.594 8.954 21.034 1.00 0.00 C ATOM 122 O GLY A 18 42.192 10.016 21.192 1.00 0.00 O ATOM 0 H GLY A 18 40.233 6.712 22.762 1.00 0.00 H new ATOM 0 HA2 GLY A 18 42.706 8.001 22.616 1.00 0.00 H new ATOM 0 HA3 GLY A 18 42.042 6.885 21.439 1.00 0.00 H new ATOM 126 N GLY A 19 40.719 8.737 20.045 1.00 0.00 N ATOM 127 CA GLY A 19 40.355 9.721 19.043 1.00 0.00 C ATOM 128 C GLY A 19 40.202 11.136 19.578 1.00 0.00 C ATOM 129 O GLY A 19 40.671 12.073 18.936 1.00 0.00 O ATOM 0 H GLY A 19 40.237 7.846 19.925 1.00 0.00 H new ATOM 0 HA2 GLY A 19 41.113 9.722 18.260 1.00 0.00 H new ATOM 0 HA3 GLY A 19 39.417 9.418 18.578 1.00 0.00 H new ATOM 133 N SER A 20 39.564 11.326 20.737 1.00 0.00 N ATOM 134 CA SER A 20 39.417 12.657 21.294 1.00 0.00 C ATOM 135 C SER A 20 40.813 13.228 21.529 1.00 0.00 C ATOM 136 O SER A 20 41.119 14.317 21.047 1.00 0.00 O ATOM 137 CB SER A 20 38.642 12.573 22.606 1.00 0.00 C ATOM 0 H SER A 20 39.149 10.580 21.295 1.00 0.00 H new ATOM 0 HA SER A 20 38.867 13.305 20.612 1.00 0.00 H new ATOM 140 N MET A 21 41.670 12.499 22.258 1.00 0.00 N ATOM 141 CA MET A 21 43.025 12.915 22.549 1.00 0.00 C ATOM 142 C MET A 21 43.791 13.345 21.302 1.00 0.00 C ATOM 143 O MET A 21 44.388 14.417 21.287 1.00 0.00 O ATOM 144 CB MET A 21 43.755 11.762 23.230 1.00 0.00 C ATOM 0 H MET A 21 41.426 11.594 22.661 1.00 0.00 H new ATOM 0 HA MET A 21 42.974 13.786 23.203 1.00 0.00 H new ATOM 147 N LYS A 22 43.795 12.497 20.270 1.00 0.00 N ATOM 148 CA LYS A 22 44.516 12.760 19.036 1.00 0.00 C ATOM 149 C LYS A 22 43.970 13.986 18.315 1.00 0.00 C ATOM 150 O LYS A 22 44.713 14.923 18.033 1.00 0.00 O ATOM 151 CB LYS A 22 44.431 11.531 18.135 1.00 0.00 C ATOM 0 H LYS A 22 43.295 11.608 20.273 1.00 0.00 H new ATOM 0 HA LYS A 22 45.558 12.968 19.281 1.00 0.00 H new ATOM 154 N ALA A 23 42.672 13.971 18.008 1.00 0.00 N ATOM 155 CA ALA A 23 42.045 15.094 17.332 1.00 0.00 C ATOM 156 C ALA A 23 42.260 16.354 18.168 1.00 0.00 C ATOM 157 O ALA A 23 42.241 17.471 17.651 1.00 0.00 O ATOM 158 CB ALA A 23 40.558 14.810 17.144 1.00 0.00 C ATOM 0 H ALA A 23 42.043 13.196 18.218 1.00 0.00 H new ATOM 0 HA ALA A 23 42.490 15.242 16.348 1.00 0.00 H new ATOM 0 HB1 ALA A 23 40.088 15.653 16.637 1.00 0.00 H new ATOM 0 HB2 ALA A 23 40.433 13.909 16.543 1.00 0.00 H new ATOM 0 HB3 ALA A 23 40.089 14.665 18.117 1.00 0.00 H new ATOM 161 N MET A 24 42.504 16.149 19.463 1.00 0.00 N ATOM 162 CA MET A 24 42.730 17.232 20.395 1.00 0.00 C ATOM 163 C MET A 24 44.170 17.692 20.242 1.00 0.00 C ATOM 164 O MET A 24 44.454 18.888 20.252 1.00 0.00 O ATOM 165 CB MET A 24 42.468 16.739 21.814 1.00 0.00 C ATOM 0 H MET A 24 42.549 15.222 19.887 1.00 0.00 H new ATOM 0 HA MET A 24 42.058 18.066 20.194 1.00 0.00 H new ATOM 168 N THR A 25 45.076 16.725 20.086 1.00 0.00 N ATOM 169 CA THR A 25 46.484 17.006 19.918 1.00 0.00 C ATOM 170 C THR A 25 46.670 17.879 18.691 1.00 0.00 C ATOM 171 O THR A 25 47.145 19.007 18.804 1.00 0.00 O ATOM 172 CB THR A 25 47.253 15.695 19.778 1.00 0.00 C ATOM 0 H THR A 25 44.845 15.732 20.074 1.00 0.00 H new ATOM 0 HA THR A 25 46.870 17.537 20.788 1.00 0.00 H new ATOM 175 N GLY A 26 46.297 17.371 17.512 1.00 0.00 N ATOM 176 CA GLY A 26 46.425 18.106 16.271 1.00 0.00 C ATOM 177 C GLY A 26 45.709 19.444 16.338 1.00 0.00 C ATOM 178 O GLY A 26 46.240 20.441 15.857 1.00 0.00 O ATOM 0 H GLY A 26 45.899 16.438 17.402 1.00 0.00 H new ATOM 0 HA2 GLY A 26 47.480 18.268 16.050 1.00 0.00 H new ATOM 0 HA3 GLY A 26 46.015 17.514 15.453 1.00 0.00 H new ATOM 182 N VAL A 27 44.503 19.485 16.913 1.00 0.00 N ATOM 183 CA VAL A 27 43.767 20.728 17.022 1.00 0.00 C ATOM 184 C VAL A 27 44.618 21.759 17.753 1.00 0.00 C ATOM 185 O VAL A 27 44.587 22.941 17.419 1.00 0.00 O ATOM 186 CB VAL A 27 42.460 20.478 17.769 1.00 0.00 C ATOM 0 H VAL A 27 44.027 18.673 17.305 1.00 0.00 H new ATOM 0 HA VAL A 27 43.534 21.112 16.029 1.00 0.00 H new ATOM 189 N ALA A 28 45.388 21.299 18.743 1.00 0.00 N ATOM 190 CA ALA A 28 46.239 22.168 19.533 1.00 0.00 C ATOM 191 C ALA A 28 47.538 22.521 18.815 1.00 0.00 C ATOM 192 O ALA A 28 47.971 23.670 18.864 1.00 0.00 O ATOM 193 CB ALA A 28 46.541 21.487 20.865 1.00 0.00 C ATOM 0 H ALA A 28 45.433 20.316 19.012 1.00 0.00 H new ATOM 0 HA ALA A 28 45.707 23.105 19.697 1.00 0.00 H new ATOM 0 HB1 ALA A 28 47.181 22.133 21.467 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.609 21.301 21.398 1.00 0.00 H new ATOM 0 HB3 ALA A 28 47.050 20.540 20.683 1.00 0.00 H new ATOM 196 N LYS A 29 48.169 21.546 18.154 1.00 0.00 N ATOM 197 CA LYS A 29 49.434 21.769 17.476 1.00 0.00 C ATOM 198 C LYS A 29 49.241 22.530 16.172 1.00 0.00 C ATOM 199 O LYS A 29 49.896 23.544 15.945 1.00 0.00 O ATOM 200 CB LYS A 29 50.107 20.425 17.215 1.00 0.00 C ATOM 0 H LYS A 29 47.816 20.592 18.078 1.00 0.00 H new ATOM 0 HA LYS A 29 50.070 22.380 18.117 1.00 0.00 H new ATOM 203 N ALA A 30 48.351 22.028 15.313 1.00 0.00 N ATOM 204 CA ALA A 30 48.070 22.653 14.036 1.00 0.00 C ATOM 205 C ALA A 30 47.342 23.972 14.266 1.00 0.00 C ATOM 206 O ALA A 30 47.887 24.863 14.914 1.00 0.00 O ATOM 207 CB ALA A 30 47.251 21.697 13.173 1.00 0.00 C ATOM 0 H ALA A 30 47.812 21.181 15.490 1.00 0.00 H new ATOM 0 HA ALA A 30 48.998 22.870 13.508 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.039 22.166 12.212 1.00 0.00 H new ATOM 0 HB2 ALA A 30 47.815 20.778 13.012 1.00 0.00 H new ATOM 0 HB3 ALA A 30 46.314 21.464 13.678 1.00 0.00 H new ATOM 210 N PHE A 31 46.116 24.099 13.745 1.00 0.00 N ATOM 211 CA PHE A 31 45.321 25.303 13.894 1.00 0.00 C ATOM 212 C PHE A 31 44.496 25.221 15.170 1.00 0.00 C ATOM 213 O PHE A 31 44.771 24.390 16.034 1.00 0.00 O ATOM 214 CB PHE A 31 44.403 25.443 12.683 1.00 0.00 C ATOM 0 H PHE A 31 45.655 23.364 13.209 1.00 0.00 H new ATOM 0 HA PHE A 31 45.975 26.173 13.957 1.00 0.00 H new ATOM 217 N ASP A 32 43.486 26.091 15.267 1.00 0.00 N ATOM 218 CA ASP A 32 42.601 26.138 16.417 1.00 0.00 C ATOM 219 C ASP A 32 41.223 26.620 15.991 1.00 0.00 C ATOM 220 O ASP A 32 40.851 27.760 16.263 1.00 0.00 O ATOM 221 CB ASP A 32 43.194 27.066 17.474 1.00 0.00 C ATOM 0 H ASP A 32 43.266 26.779 14.547 1.00 0.00 H new ATOM 0 HA ASP A 32 42.498 25.139 16.842 1.00 0.00 H new ATOM 224 N ALA A 33 40.459 25.746 15.330 1.00 0.00 N ATOM 225 CA ALA A 33 39.126 26.086 14.880 1.00 0.00 C ATOM 226 C ALA A 33 38.386 24.829 14.440 1.00 0.00 C ATOM 227 O ALA A 33 37.688 24.206 15.238 1.00 0.00 O ATOM 228 CB ALA A 33 39.214 27.091 13.735 1.00 0.00 C ATOM 0 H ALA A 33 40.751 24.797 15.099 1.00 0.00 H new ATOM 0 HA ALA A 33 38.570 26.539 15.701 1.00 0.00 H new ATOM 0 HB1 ALA A 33 38.210 27.346 13.397 1.00 0.00 H new ATOM 0 HB2 ALA A 33 39.721 27.992 14.080 1.00 0.00 H new ATOM 0 HB3 ALA A 33 39.775 26.653 12.909 1.00 0.00 H new ATOM 231 N GLU A 34 38.533 24.462 13.165 1.00 0.00 N ATOM 232 CA GLU A 34 37.869 23.300 12.610 1.00 0.00 C ATOM 233 C GLU A 34 38.274 22.021 13.330 1.00 0.00 C ATOM 234 O GLU A 34 37.413 21.259 13.764 1.00 0.00 O ATOM 235 CB GLU A 34 38.194 23.199 11.123 1.00 0.00 C ATOM 0 H GLU A 34 39.116 24.966 12.497 1.00 0.00 H new ATOM 0 HA GLU A 34 36.794 23.419 12.746 1.00 0.00 H new ATOM 238 N ALA A 35 39.581 21.774 13.457 1.00 0.00 N ATOM 239 CA ALA A 35 40.078 20.574 14.100 1.00 0.00 C ATOM 240 C ALA A 35 39.519 20.446 15.509 1.00 0.00 C ATOM 241 O ALA A 35 39.025 19.383 15.879 1.00 0.00 O ATOM 242 CB ALA A 35 41.603 20.613 14.128 1.00 0.00 C ATOM 0 H ALA A 35 40.311 22.400 13.117 1.00 0.00 H new ATOM 0 HA ALA A 35 39.751 19.703 13.533 1.00 0.00 H new ATOM 0 HB1 ALA A 35 41.981 19.712 14.611 1.00 0.00 H new ATOM 0 HB2 ALA A 35 41.984 20.665 13.108 1.00 0.00 H new ATOM 0 HB3 ALA A 35 41.934 21.489 14.685 1.00 0.00 H new ATOM 245 N ALA A 36 39.609 21.526 16.291 1.00 0.00 N ATOM 246 CA ALA A 36 39.120 21.543 17.658 1.00 0.00 C ATOM 247 C ALA A 36 37.689 21.029 17.720 1.00 0.00 C ATOM 248 O ALA A 36 37.393 20.127 18.500 1.00 0.00 O ATOM 249 CB ALA A 36 39.205 22.964 18.207 1.00 0.00 C ATOM 0 H ALA A 36 40.023 22.407 15.988 1.00 0.00 H new ATOM 0 HA ALA A 36 39.739 20.886 18.269 1.00 0.00 H new ATOM 0 HB1 ALA A 36 38.838 22.980 19.233 1.00 0.00 H new ATOM 0 HB2 ALA A 36 40.242 23.301 18.187 1.00 0.00 H new ATOM 0 HB3 ALA A 36 38.596 23.628 17.594 1.00 0.00 H new ATOM 252 N LYS A 37 36.809 21.607 16.897 1.00 0.00 N ATOM 253 CA LYS A 37 35.416 21.203 16.844 1.00 0.00 C ATOM 254 C LYS A 37 35.301 19.694 16.671 1.00 0.00 C ATOM 255 O LYS A 37 34.569 19.039 17.410 1.00 0.00 O ATOM 256 CB LYS A 37 34.724 21.930 15.694 1.00 0.00 C ATOM 0 H LYS A 37 37.048 22.363 16.255 1.00 0.00 H new ATOM 0 HA LYS A 37 34.929 21.470 17.782 1.00 0.00 H new ATOM 259 N VAL A 38 36.030 19.139 15.699 1.00 0.00 N ATOM 260 CA VAL A 38 36.007 17.713 15.439 1.00 0.00 C ATOM 261 C VAL A 38 36.488 16.942 16.661 1.00 0.00 C ATOM 262 O VAL A 38 35.991 15.852 16.951 1.00 0.00 O ATOM 263 CB VAL A 38 36.886 17.407 14.230 1.00 0.00 C ATOM 0 H VAL A 38 36.645 19.667 15.080 1.00 0.00 H new ATOM 0 HA VAL A 38 34.985 17.401 15.226 1.00 0.00 H new ATOM 266 N GLU A 39 37.445 17.509 17.401 1.00 0.00 N ATOM 267 CA GLU A 39 37.971 16.861 18.580 1.00 0.00 C ATOM 268 C GLU A 39 36.838 16.778 19.584 1.00 0.00 C ATOM 269 O GLU A 39 36.664 15.752 20.232 1.00 0.00 O ATOM 270 CB GLU A 39 39.140 17.669 19.135 1.00 0.00 C ATOM 0 H GLU A 39 37.864 18.416 17.195 1.00 0.00 H new ATOM 0 HA GLU A 39 38.344 15.862 18.353 1.00 0.00 H new ATOM 273 N ALA A 40 36.079 17.871 19.700 1.00 0.00 N ATOM 274 CA ALA A 40 34.931 17.925 20.584 1.00 0.00 C ATOM 275 C ALA A 40 34.021 16.738 20.298 1.00 0.00 C ATOM 276 O ALA A 40 33.562 16.070 21.222 1.00 0.00 O ATOM 277 CB ALA A 40 34.189 19.242 20.373 1.00 0.00 C ATOM 0 H ALA A 40 36.249 18.734 19.184 1.00 0.00 H new ATOM 0 HA ALA A 40 35.255 17.874 21.623 1.00 0.00 H new ATOM 0 HB1 ALA A 40 33.326 19.284 21.037 1.00 0.00 H new ATOM 0 HB2 ALA A 40 34.857 20.075 20.593 1.00 0.00 H new ATOM 0 HB3 ALA A 40 33.854 19.309 19.338 1.00 0.00 H new ATOM 280 N ALA A 41 33.763 16.472 19.015 1.00 0.00 N ATOM 281 CA ALA A 41 32.928 15.357 18.614 1.00 0.00 C ATOM 282 C ALA A 41 33.454 14.061 19.220 1.00 0.00 C ATOM 283 O ALA A 41 32.720 13.345 19.902 1.00 0.00 O ATOM 284 CB ALA A 41 32.899 15.267 17.091 1.00 0.00 C ATOM 0 H ALA A 41 34.127 17.023 18.238 1.00 0.00 H new ATOM 0 HA ALA A 41 31.913 15.515 18.978 1.00 0.00 H new ATOM 0 HB1 ALA A 41 32.271 14.429 16.788 1.00 0.00 H new ATOM 0 HB2 ALA A 41 32.494 16.191 16.680 1.00 0.00 H new ATOM 0 HB3 ALA A 41 33.911 15.116 16.716 1.00 0.00 H new ATOM 287 N LYS A 42 34.733 13.754 18.988 1.00 0.00 N ATOM 288 CA LYS A 42 35.321 12.542 19.526 1.00 0.00 C ATOM 289 C LYS A 42 35.241 12.603 21.045 1.00 0.00 C ATOM 290 O LYS A 42 35.083 11.578 21.705 1.00 0.00 O ATOM 291 CB LYS A 42 36.767 12.421 19.054 1.00 0.00 C ATOM 0 H LYS A 42 35.370 14.328 18.435 1.00 0.00 H new ATOM 0 HA LYS A 42 34.780 11.663 19.175 1.00 0.00 H new ATOM 294 N LEU A 43 35.347 13.823 21.580 1.00 0.00 N ATOM 295 CA LEU A 43 35.260 14.052 23.008 1.00 0.00 C ATOM 296 C LEU A 43 33.942 13.459 23.468 1.00 0.00 C ATOM 297 O LEU A 43 33.941 12.563 24.310 1.00 0.00 O ATOM 298 CB LEU A 43 35.338 15.546 23.308 1.00 0.00 C ATOM 0 H LEU A 43 35.495 14.670 21.031 1.00 0.00 H new ATOM 0 HA LEU A 43 36.088 13.582 23.539 1.00 0.00 H new ATOM 301 N GLU A 44 32.843 13.981 22.908 1.00 0.00 N ATOM 302 CA GLU A 44 31.503 13.492 23.170 1.00 0.00 C ATOM 303 C GLU A 44 31.501 11.971 23.219 1.00 0.00 C ATOM 304 O GLU A 44 30.913 11.390 24.124 1.00 0.00 O ATOM 305 CB GLU A 44 30.558 13.998 22.084 1.00 0.00 C ATOM 0 H GLU A 44 32.871 14.763 22.254 1.00 0.00 H new ATOM 0 HA GLU A 44 31.162 13.864 24.136 1.00 0.00 H new ATOM 308 N LYS A 45 32.176 11.322 22.266 1.00 0.00 N ATOM 309 CA LYS A 45 32.269 9.872 22.260 1.00 0.00 C ATOM 310 C LYS A 45 32.826 9.372 23.593 1.00 0.00 C ATOM 311 O LYS A 45 32.290 8.433 24.179 1.00 0.00 O ATOM 312 CB LYS A 45 33.159 9.427 21.103 1.00 0.00 C ATOM 0 H LYS A 45 32.661 11.781 21.495 1.00 0.00 H new ATOM 0 HA LYS A 45 31.275 9.445 22.127 1.00 0.00 H new ATOM 315 N ILE A 46 33.902 10.009 24.066 1.00 0.00 N ATOM 316 CA ILE A 46 34.514 9.634 25.334 1.00 0.00 C ATOM 317 C ILE A 46 33.449 9.740 26.417 1.00 0.00 C ATOM 318 O ILE A 46 33.381 8.908 27.319 1.00 0.00 O ATOM 319 CB ILE A 46 35.702 10.545 25.629 1.00 0.00 C ATOM 0 H ILE A 46 34.362 10.784 23.588 1.00 0.00 H new ATOM 0 HA ILE A 46 34.891 8.612 25.296 1.00 0.00 H new ATOM 322 N LEU A 47 32.612 10.773 26.290 1.00 0.00 N ATOM 323 CA LEU A 47 31.465 10.953 27.164 1.00 0.00 C ATOM 324 C LEU A 47 30.436 10.006 26.564 1.00 0.00 C ATOM 325 O LEU A 47 29.434 10.443 26.002 1.00 0.00 O ATOM 326 CB LEU A 47 30.991 12.403 27.114 1.00 0.00 C ATOM 0 H LEU A 47 32.715 11.500 25.582 1.00 0.00 H new ATOM 0 HA LEU A 47 31.667 10.745 28.215 1.00 0.00 H new ATOM 329 N ALA A 48 30.727 8.705 26.645 1.00 0.00 N ATOM 330 CA ALA A 48 29.933 7.687 25.993 1.00 0.00 C ATOM 331 C ALA A 48 28.761 7.359 26.905 1.00 0.00 C ATOM 332 O ALA A 48 28.139 8.245 27.488 1.00 0.00 O ATOM 333 CB ALA A 48 30.822 6.479 25.705 1.00 0.00 C ATOM 0 H ALA A 48 31.523 8.338 27.167 1.00 0.00 H new ATOM 0 HA ALA A 48 29.533 8.023 25.036 1.00 0.00 H new ATOM 0 HB1 ALA A 48 30.234 5.704 25.213 1.00 0.00 H new ATOM 0 HB2 ALA A 48 31.644 6.779 25.055 1.00 0.00 H new ATOM 0 HB3 ALA A 48 31.223 6.091 26.641 1.00 0.00 H new ATOM 336 N THR A 49 28.502 6.054 27.035 1.00 0.00 N ATOM 337 CA THR A 49 27.557 5.527 27.991 1.00 0.00 C ATOM 338 C THR A 49 28.360 5.482 29.288 1.00 0.00 C ATOM 339 O THR A 49 29.289 6.269 29.459 1.00 0.00 O ATOM 340 CB THR A 49 27.105 4.134 27.563 1.00 0.00 C ATOM 0 H THR A 49 28.954 5.337 26.468 1.00 0.00 H new ATOM 0 HA THR A 49 26.648 6.121 28.086 1.00 0.00 H new ATOM 343 N ASP A 50 28.046 4.529 30.168 1.00 0.00 N ATOM 344 CA ASP A 50 28.801 4.334 31.396 1.00 0.00 C ATOM 345 C ASP A 50 30.015 3.455 31.096 1.00 0.00 C ATOM 346 O ASP A 50 29.855 2.260 30.857 1.00 0.00 O ATOM 347 CB ASP A 50 27.904 3.667 32.434 1.00 0.00 C ATOM 0 H ASP A 50 27.269 3.880 30.047 1.00 0.00 H new ATOM 0 HA ASP A 50 29.142 5.292 31.789 1.00 0.00 H new ATOM 350 N VAL A 51 31.225 4.031 31.105 1.00 0.00 N ATOM 351 CA VAL A 51 32.434 3.278 30.829 1.00 0.00 C ATOM 352 C VAL A 51 32.532 2.092 31.777 1.00 0.00 C ATOM 353 O VAL A 51 32.964 1.011 31.385 1.00 0.00 O ATOM 354 CB VAL A 51 33.646 4.194 30.983 1.00 0.00 C ATOM 0 H VAL A 51 31.382 5.019 31.302 1.00 0.00 H new ATOM 0 HA VAL A 51 32.406 2.899 29.807 1.00 0.00 H new ATOM 357 N ALA A 52 32.115 2.301 33.027 1.00 0.00 N ATOM 358 CA ALA A 52 32.143 1.253 34.025 1.00 0.00 C ATOM 359 C ALA A 52 31.254 0.103 33.570 1.00 0.00 C ATOM 360 O ALA A 52 30.191 -0.121 34.145 1.00 0.00 O ATOM 361 CB ALA A 52 31.664 1.812 35.362 1.00 0.00 C ATOM 0 H ALA A 52 31.754 3.193 33.364 1.00 0.00 H new ATOM 0 HA ALA A 52 33.160 0.881 34.149 1.00 0.00 H new ATOM 0 HB1 ALA A 52 31.685 1.024 36.114 1.00 0.00 H new ATOM 0 HB2 ALA A 52 32.319 2.626 35.672 1.00 0.00 H new ATOM 0 HB3 ALA A 52 30.646 2.186 35.256 1.00 0.00 H new ATOM 364 N PRO A 53 31.691 -0.620 32.534 1.00 0.00 N ATOM 365 CA PRO A 53 30.939 -1.741 32.001 1.00 0.00 C ATOM 366 C PRO A 53 31.754 -2.482 30.947 1.00 0.00 C ATOM 367 O PRO A 53 31.191 -3.217 30.139 1.00 0.00 O ATOM 368 CB PRO A 53 30.564 -2.691 33.136 1.00 0.00 C ATOM 0 HA PRO A 53 30.032 -1.363 31.530 1.00 0.00 H new ATOM 370 N LEU A 54 33.076 -2.288 30.961 1.00 0.00 N ATOM 371 CA LEU A 54 33.967 -2.950 30.030 1.00 0.00 C ATOM 372 C LEU A 54 34.222 -4.381 30.488 1.00 0.00 C ATOM 373 O LEU A 54 34.624 -5.216 29.680 1.00 0.00 O ATOM 374 CB LEU A 54 35.275 -2.169 29.937 1.00 0.00 C ATOM 0 H LEU A 54 33.548 -1.668 31.619 1.00 0.00 H new ATOM 0 HA LEU A 54 33.508 -2.983 29.042 1.00 0.00 H new ATOM 377 N PHE A 55 33.984 -4.647 31.780 1.00 0.00 N ATOM 378 CA PHE A 55 34.163 -5.966 32.373 1.00 0.00 C ATOM 379 C PHE A 55 33.012 -6.260 33.329 1.00 0.00 C ATOM 380 O PHE A 55 32.084 -5.462 33.441 1.00 0.00 O ATOM 381 CB PHE A 55 35.503 -6.010 33.099 1.00 0.00 C ATOM 0 H PHE A 55 33.659 -3.942 32.442 1.00 0.00 H new ATOM 0 HA PHE A 55 34.162 -6.730 31.595 1.00 0.00 H new ATOM 384 N PRO A 56 33.074 -7.413 34.005 1.00 0.00 N ATOM 385 CA PRO A 56 32.049 -7.830 34.947 1.00 0.00 C ATOM 386 C PRO A 56 31.787 -6.716 35.950 1.00 0.00 C ATOM 387 O PRO A 56 30.643 -6.448 36.308 1.00 0.00 O ATOM 388 CB PRO A 56 30.775 -8.192 34.190 1.00 0.00 C ATOM 0 HA PRO A 56 32.389 -8.710 35.493 1.00 0.00 H new ATOM 390 N ALA A 57 32.863 -6.063 36.388 1.00 0.00 N ATOM 391 CA ALA A 57 32.811 -4.952 37.318 1.00 0.00 C ATOM 392 C ALA A 57 34.192 -4.300 37.295 1.00 0.00 C ATOM 393 O ALA A 57 34.656 -3.779 38.307 1.00 0.00 O ATOM 394 CB ALA A 57 32.460 -5.459 38.714 1.00 0.00 C ATOM 0 H ALA A 57 33.811 -6.302 36.096 1.00 0.00 H new ATOM 0 HA ALA A 57 32.045 -4.228 37.040 1.00 0.00 H new ATOM 0 HB1 ALA A 57 32.423 -4.619 39.407 1.00 0.00 H new ATOM 0 HB2 ALA A 57 31.488 -5.952 38.688 1.00 0.00 H new ATOM 0 HB3 ALA A 57 33.218 -6.169 39.045 1.00 0.00 H new ATOM 397 N GLY A 58 34.832 -4.373 36.121 1.00 0.00 N ATOM 398 CA GLY A 58 36.172 -3.867 35.893 1.00 0.00 C ATOM 399 C GLY A 58 37.150 -5.039 35.937 1.00 0.00 C ATOM 400 O GLY A 58 38.348 -4.839 36.126 1.00 0.00 O ATOM 0 H GLY A 58 34.415 -4.796 35.292 1.00 0.00 H new ATOM 0 HA2 GLY A 58 36.227 -3.364 34.927 1.00 0.00 H new ATOM 0 HA3 GLY A 58 36.432 -3.129 36.652 1.00 0.00 H new ATOM 404 N THR A 59 36.632 -6.262 35.767 1.00 0.00 N ATOM 405 CA THR A 59 37.442 -7.466 35.779 1.00 0.00 C ATOM 406 C THR A 59 38.280 -7.521 37.046 1.00 0.00 C ATOM 407 O THR A 59 38.115 -8.420 37.868 1.00 0.00 O ATOM 408 CB THR A 59 38.334 -7.489 34.541 1.00 0.00 C ATOM 0 H THR A 59 35.638 -6.435 35.618 1.00 0.00 H new ATOM 0 HA THR A 59 36.793 -8.341 35.763 1.00 0.00 H new ATOM 411 N SER A 60 39.186 -6.551 37.187 1.00 0.00 N ATOM 412 CA SER A 60 40.065 -6.458 38.336 1.00 0.00 C ATOM 413 C SER A 60 41.138 -7.533 38.256 1.00 0.00 C ATOM 414 O SER A 60 40.881 -8.628 37.760 1.00 0.00 O ATOM 415 CB SER A 60 39.256 -6.581 39.625 1.00 0.00 C ATOM 0 H SER A 60 39.325 -5.809 36.501 1.00 0.00 H new ATOM 0 HA SER A 60 40.557 -5.485 38.337 1.00 0.00 H new ATOM 418 N SER A 61 42.344 -7.206 38.732 1.00 0.00 N ATOM 419 CA SER A 61 43.461 -8.134 38.721 1.00 0.00 C ATOM 420 C SER A 61 44.455 -7.764 39.813 1.00 0.00 C ATOM 421 O SER A 61 45.479 -7.143 39.539 1.00 0.00 O ATOM 422 CB SER A 61 44.129 -8.103 37.349 1.00 0.00 C ATOM 0 H SER A 61 42.565 -6.294 39.132 1.00 0.00 H new ATOM 0 HA SER A 61 43.101 -9.144 38.916 1.00 0.00 H new ATOM 425 N THR A 62 44.153 -8.159 41.052 1.00 0.00 N ATOM 426 CA THR A 62 45.015 -7.875 42.182 1.00 0.00 C ATOM 427 C THR A 62 46.421 -8.396 41.913 1.00 0.00 C ATOM 428 O THR A 62 47.035 -9.006 42.785 1.00 0.00 O ATOM 429 CB THR A 62 44.433 -8.513 43.440 1.00 0.00 C ATOM 0 H THR A 62 43.309 -8.680 41.290 1.00 0.00 H new ATOM 0 HA THR A 62 45.075 -6.797 42.331 1.00 0.00 H new ATOM 432 N ASP A 63 46.921 -8.159 40.698 1.00 0.00 N ATOM 433 CA ASP A 63 48.251 -8.590 40.311 1.00 0.00 C ATOM 434 C ASP A 63 48.296 -10.103 40.152 1.00 0.00 C ATOM 435 O ASP A 63 49.276 -10.727 40.555 1.00 0.00 O ATOM 436 CB ASP A 63 49.266 -8.122 41.351 1.00 0.00 C ATOM 0 H ASP A 63 46.413 -7.665 39.964 1.00 0.00 H new ATOM 0 HA ASP A 63 48.505 -8.145 39.349 1.00 0.00 H new ATOM 439 N LEU A 64 47.230 -10.668 39.569 1.00 0.00 N ATOM 440 CA LEU A 64 47.102 -12.096 39.320 1.00 0.00 C ATOM 441 C LEU A 64 46.911 -12.315 37.826 1.00 0.00 C ATOM 442 O LEU A 64 46.906 -11.359 37.054 1.00 0.00 O ATOM 443 CB LEU A 64 45.902 -12.633 40.094 1.00 0.00 C ATOM 0 H LEU A 64 46.423 -10.130 39.255 1.00 0.00 H new ATOM 0 HA LEU A 64 47.997 -12.623 39.649 1.00 0.00 H new ATOM 446 N PRO A 65 46.753 -13.576 37.416 1.00 0.00 N ATOM 447 CA PRO A 65 46.565 -13.903 36.017 1.00 0.00 C ATOM 448 C PRO A 65 47.807 -13.510 35.230 1.00 0.00 C ATOM 449 O PRO A 65 48.902 -13.450 35.784 1.00 0.00 O ATOM 450 CB PRO A 65 45.335 -13.171 35.488 1.00 0.00 C ATOM 0 HA PRO A 65 46.409 -14.976 35.904 1.00 0.00 H new ATOM 452 N GLY A 66 47.634 -13.231 33.936 1.00 0.00 N ATOM 453 CA GLY A 66 48.737 -12.842 33.080 1.00 0.00 C ATOM 454 C GLY A 66 48.270 -12.757 31.633 1.00 0.00 C ATOM 455 O GLY A 66 48.968 -13.212 30.729 1.00 0.00 O ATOM 0 H GLY A 66 46.731 -13.270 33.463 1.00 0.00 H new ATOM 0 HA2 GLY A 66 49.134 -11.878 33.400 1.00 0.00 H new ATOM 0 HA3 GLY A 66 49.548 -13.565 33.167 1.00 0.00 H new ATOM 459 N GLN A 67 47.086 -12.176 31.421 1.00 0.00 N ATOM 460 CA GLN A 67 46.523 -12.029 30.093 1.00 0.00 C ATOM 461 C GLN A 67 47.168 -10.844 29.388 1.00 0.00 C ATOM 462 O GLN A 67 48.023 -10.180 29.972 1.00 0.00 O ATOM 463 CB GLN A 67 45.014 -11.830 30.204 1.00 0.00 C ATOM 0 H GLN A 67 46.500 -11.799 32.166 1.00 0.00 H new ATOM 0 HA GLN A 67 46.720 -12.928 29.508 1.00 0.00 H new ATOM 466 N THR A 68 46.749 -10.603 28.138 1.00 0.00 N ATOM 467 CA THR A 68 47.249 -9.514 27.312 1.00 0.00 C ATOM 468 C THR A 68 46.078 -8.716 26.755 1.00 0.00 C ATOM 469 O THR A 68 45.164 -9.285 26.163 1.00 0.00 O ATOM 470 CB THR A 68 48.087 -10.093 26.175 1.00 0.00 C ATOM 0 H THR A 68 46.042 -11.172 27.672 1.00 0.00 H new ATOM 0 HA THR A 68 47.871 -8.848 27.911 1.00 0.00 H new ATOM 473 N GLU A 69 46.108 -7.394 26.948 1.00 0.00 N ATOM 474 CA GLU A 69 45.055 -6.524 26.464 1.00 0.00 C ATOM 475 C GLU A 69 45.301 -5.098 26.939 1.00 0.00 C ATOM 476 O GLU A 69 44.408 -4.470 27.504 1.00 0.00 O ATOM 477 CB GLU A 69 43.705 -7.032 26.962 1.00 0.00 C ATOM 0 H GLU A 69 46.859 -6.910 27.440 1.00 0.00 H new ATOM 0 HA GLU A 69 45.051 -6.527 25.374 1.00 0.00 H new ATOM 480 N ALA A 70 46.514 -4.589 26.709 1.00 0.00 N ATOM 481 CA ALA A 70 46.871 -3.243 27.110 1.00 0.00 C ATOM 482 C ALA A 70 46.617 -3.059 28.600 1.00 0.00 C ATOM 483 O ALA A 70 45.764 -2.266 28.991 1.00 0.00 O ATOM 484 CB ALA A 70 46.060 -2.239 26.296 1.00 0.00 C ATOM 0 H ALA A 70 47.264 -5.100 26.243 1.00 0.00 H new ATOM 0 HA ALA A 70 47.931 -3.075 26.921 1.00 0.00 H new ATOM 0 HB1 ALA A 70 46.328 -1.226 26.597 1.00 0.00 H new ATOM 0 HB2 ALA A 70 46.275 -2.372 25.236 1.00 0.00 H new ATOM 0 HB3 ALA A 70 44.997 -2.401 26.473 1.00 0.00 H new ATOM 487 N LYS A 71 47.363 -3.792 29.429 1.00 0.00 N ATOM 488 CA LYS A 71 47.213 -3.713 30.869 1.00 0.00 C ATOM 489 C LYS A 71 45.766 -4.000 31.242 1.00 0.00 C ATOM 490 O LYS A 71 45.165 -3.266 32.024 1.00 0.00 O ATOM 491 CB LYS A 71 47.632 -2.327 31.349 1.00 0.00 C ATOM 0 H LYS A 71 48.079 -4.448 29.118 1.00 0.00 H new ATOM 0 HA LYS A 71 47.851 -4.454 31.351 1.00 0.00 H new ATOM 494 N ALA A 72 45.207 -5.067 30.668 1.00 0.00 N ATOM 495 CA ALA A 72 43.834 -5.446 30.934 1.00 0.00 C ATOM 496 C ALA A 72 43.633 -5.693 32.422 1.00 0.00 C ATOM 497 O ALA A 72 42.570 -5.388 32.960 1.00 0.00 O ATOM 498 CB ALA A 72 43.484 -6.691 30.124 1.00 0.00 C ATOM 0 H ALA A 72 45.693 -5.681 30.015 1.00 0.00 H new ATOM 0 HA ALA A 72 43.170 -4.634 30.636 1.00 0.00 H new ATOM 0 HB1 ALA A 72 42.451 -6.977 30.324 1.00 0.00 H new ATOM 0 HB2 ALA A 72 43.603 -6.479 29.061 1.00 0.00 H new ATOM 0 HB3 ALA A 72 44.148 -7.508 30.407 1.00 0.00 H new ATOM 501 N ALA A 73 44.658 -6.231 33.086 1.00 0.00 N ATOM 502 CA ALA A 73 44.598 -6.512 34.508 1.00 0.00 C ATOM 503 C ALA A 73 44.830 -5.238 35.312 1.00 0.00 C ATOM 504 O ALA A 73 44.579 -5.241 36.515 1.00 0.00 O ATOM 505 CB ALA A 73 45.647 -7.565 34.857 1.00 0.00 C ATOM 0 H ALA A 73 45.545 -6.480 32.649 1.00 0.00 H new ATOM 0 HA ALA A 73 43.609 -6.894 34.760 1.00 0.00 H new ATOM 0 HB1 ALA A 73 45.606 -7.780 35.925 1.00 0.00 H new ATOM 0 HB2 ALA A 73 45.447 -8.478 34.295 1.00 0.00 H new ATOM 0 HB3 ALA A 73 46.638 -7.191 34.600 1.00 0.00 H new ATOM 508 N ILE A 74 45.289 -4.181 34.621 1.00 0.00 N ATOM 509 CA ILE A 74 45.585 -2.858 35.158 1.00 0.00 C ATOM 510 C ILE A 74 45.502 -2.702 36.669 1.00 0.00 C ATOM 511 O ILE A 74 44.851 -1.778 37.152 1.00 0.00 O ATOM 512 CB ILE A 74 44.666 -1.843 34.484 1.00 0.00 C ATOM 0 H ILE A 74 45.471 -4.238 33.619 1.00 0.00 H new ATOM 0 HA ILE A 74 46.638 -2.687 34.933 1.00 0.00 H new ATOM 515 N TRP A 75 46.152 -3.595 37.421 1.00 0.00 N ATOM 516 CA TRP A 75 46.159 -3.496 38.866 1.00 0.00 C ATOM 517 C TRP A 75 46.755 -2.142 39.216 1.00 0.00 C ATOM 518 O TRP A 75 47.503 -1.587 38.414 1.00 0.00 O ATOM 519 CB TRP A 75 46.989 -4.633 39.457 1.00 0.00 C ATOM 0 H TRP A 75 46.675 -4.387 37.047 1.00 0.00 H new ATOM 0 HA TRP A 75 45.153 -3.580 39.277 1.00 0.00 H new ATOM 522 N ALA A 76 46.428 -1.612 40.399 1.00 0.00 N ATOM 523 CA ALA A 76 46.900 -0.315 40.843 1.00 0.00 C ATOM 524 C ALA A 76 46.052 0.107 42.034 1.00 0.00 C ATOM 525 O ALA A 76 46.591 0.458 43.082 1.00 0.00 O ATOM 526 CB ALA A 76 46.762 0.716 39.725 1.00 0.00 C ATOM 0 H ALA A 76 45.824 -2.081 41.073 1.00 0.00 H new ATOM 0 HA ALA A 76 47.952 -0.378 41.120 1.00 0.00 H new ATOM 0 HB1 ALA A 76 47.121 1.684 40.076 1.00 0.00 H new ATOM 0 HB2 ALA A 76 47.352 0.401 38.864 1.00 0.00 H new ATOM 0 HB3 ALA A 76 45.715 0.801 39.436 1.00 0.00 H new ATOM 529 N ASN A 77 44.727 0.037 41.849 1.00 0.00 N ATOM 530 CA ASN A 77 43.738 0.404 42.849 1.00 0.00 C ATOM 531 C ASN A 77 42.440 0.730 42.124 1.00 0.00 C ATOM 532 O ASN A 77 42.329 1.812 41.556 1.00 0.00 O ATOM 533 CB ASN A 77 44.190 1.626 43.646 1.00 0.00 C ATOM 0 H ASN A 77 44.312 -0.286 40.975 1.00 0.00 H new ATOM 0 HA ASN A 77 43.604 -0.423 43.546 1.00 0.00 H new ATOM 536 N MET A 78 41.481 -0.205 42.139 1.00 0.00 N ATOM 537 CA MET A 78 40.192 -0.037 41.482 1.00 0.00 C ATOM 538 C MET A 78 39.599 1.341 41.751 1.00 0.00 C ATOM 539 O MET A 78 39.032 1.962 40.856 1.00 0.00 O ATOM 540 CB MET A 78 39.240 -1.129 41.963 1.00 0.00 C ATOM 0 H MET A 78 41.585 -1.103 42.612 1.00 0.00 H new ATOM 0 HA MET A 78 40.338 -0.121 40.405 1.00 0.00 H new ATOM 543 N ASP A 79 39.747 1.820 42.987 1.00 0.00 N ATOM 544 CA ASP A 79 39.249 3.132 43.350 1.00 0.00 C ATOM 545 C ASP A 79 39.970 4.165 42.495 1.00 0.00 C ATOM 546 O ASP A 79 39.344 5.040 41.900 1.00 0.00 O ATOM 547 CB ASP A 79 39.496 3.381 44.835 1.00 0.00 C ATOM 0 H ASP A 79 40.207 1.316 43.745 1.00 0.00 H new ATOM 0 HA ASP A 79 38.176 3.202 43.173 1.00 0.00 H new ATOM 550 N ASP A 80 41.297 4.039 42.432 1.00 0.00 N ATOM 551 CA ASP A 80 42.115 4.940 41.644 1.00 0.00 C ATOM 552 C ASP A 80 41.684 4.872 40.185 1.00 0.00 C ATOM 553 O ASP A 80 41.525 5.901 39.528 1.00 0.00 O ATOM 554 CB ASP A 80 43.585 4.558 41.796 1.00 0.00 C ATOM 0 H ASP A 80 41.823 3.316 42.923 1.00 0.00 H new ATOM 0 HA ASP A 80 41.986 5.964 41.996 1.00 0.00 H new ATOM 557 N PHE A 81 41.489 3.652 39.682 1.00 0.00 N ATOM 558 CA PHE A 81 41.075 3.445 38.313 1.00 0.00 C ATOM 559 C PHE A 81 39.783 4.203 38.064 1.00 0.00 C ATOM 560 O PHE A 81 39.702 4.976 37.110 1.00 0.00 O ATOM 561 CB PHE A 81 40.898 1.952 38.049 1.00 0.00 C ATOM 0 H PHE A 81 41.615 2.792 40.216 1.00 0.00 H new ATOM 0 HA PHE A 81 41.837 3.821 37.630 1.00 0.00 H new ATOM 564 N GLY A 82 38.778 3.976 38.919 1.00 0.00 N ATOM 565 CA GLY A 82 37.500 4.652 38.819 1.00 0.00 C ATOM 566 C GLY A 82 37.732 6.149 38.702 1.00 0.00 C ATOM 567 O GLY A 82 37.029 6.825 37.954 1.00 0.00 O ATOM 0 H GLY A 82 38.838 3.317 39.695 1.00 0.00 H new ATOM 0 HA2 GLY A 82 36.950 4.289 37.951 1.00 0.00 H new ATOM 0 HA3 GLY A 82 36.891 4.434 39.696 1.00 0.00 H new ATOM 571 N ALA A 83 38.728 6.658 39.434 1.00 0.00 N ATOM 572 CA ALA A 83 39.079 8.061 39.378 1.00 0.00 C ATOM 573 C ALA A 83 39.334 8.448 37.930 1.00 0.00 C ATOM 574 O ALA A 83 38.574 9.245 37.389 1.00 0.00 O ATOM 575 CB ALA A 83 40.312 8.320 40.240 1.00 0.00 C ATOM 0 H ALA A 83 39.302 6.107 40.072 1.00 0.00 H new ATOM 0 HA ALA A 83 38.262 8.669 39.767 1.00 0.00 H new ATOM 0 HB1 ALA A 83 40.572 9.378 40.194 1.00 0.00 H new ATOM 0 HB2 ALA A 83 40.099 8.043 41.272 1.00 0.00 H new ATOM 0 HB3 ALA A 83 41.147 7.725 39.869 1.00 0.00 H new ATOM 578 N LYS A 84 40.395 7.879 37.335 1.00 0.00 N ATOM 579 CA LYS A 84 40.770 8.132 35.944 1.00 0.00 C ATOM 580 C LYS A 84 39.534 8.205 35.056 1.00 0.00 C ATOM 581 O LYS A 84 39.485 8.969 34.099 1.00 0.00 O ATOM 582 CB LYS A 84 41.710 7.028 35.467 1.00 0.00 C ATOM 0 H LYS A 84 41.017 7.227 37.813 1.00 0.00 H new ATOM 0 HA LYS A 84 41.281 9.092 35.881 1.00 0.00 H new ATOM 585 N GLY A 85 38.551 7.378 35.399 1.00 0.00 N ATOM 586 CA GLY A 85 37.283 7.383 34.698 1.00 0.00 C ATOM 587 C GLY A 85 36.755 8.806 34.805 1.00 0.00 C ATOM 588 O GLY A 85 36.626 9.510 33.806 1.00 0.00 O ATOM 0 H GLY A 85 38.613 6.699 36.158 1.00 0.00 H new ATOM 0 HA2 GLY A 85 37.411 7.091 33.656 1.00 0.00 H new ATOM 0 HA3 GLY A 85 36.587 6.673 35.144 1.00 0.00 H new ATOM 592 N LYS A 86 36.470 9.196 36.048 1.00 0.00 N ATOM 593 CA LYS A 86 36.008 10.536 36.354 1.00 0.00 C ATOM 594 C LYS A 86 36.882 11.589 35.672 1.00 0.00 C ATOM 595 O LYS A 86 36.364 12.469 34.988 1.00 0.00 O ATOM 596 CB LYS A 86 36.008 10.736 37.867 1.00 0.00 C ATOM 0 H LYS A 86 36.555 8.589 36.863 1.00 0.00 H new ATOM 0 HA LYS A 86 34.994 10.655 35.973 1.00 0.00 H new ATOM 599 N ALA A 87 38.204 11.500 35.857 1.00 0.00 N ATOM 600 CA ALA A 87 39.134 12.461 35.292 1.00 0.00 C ATOM 601 C ALA A 87 38.937 12.625 33.792 1.00 0.00 C ATOM 602 O ALA A 87 38.728 13.736 33.309 1.00 0.00 O ATOM 603 CB ALA A 87 40.563 12.023 35.601 1.00 0.00 C ATOM 0 H ALA A 87 38.649 10.761 36.401 1.00 0.00 H new ATOM 0 HA ALA A 87 38.942 13.433 35.747 1.00 0.00 H new ATOM 0 HB1 ALA A 87 41.264 12.743 35.178 1.00 0.00 H new ATOM 0 HB2 ALA A 87 40.703 11.972 36.681 1.00 0.00 H new ATOM 0 HB3 ALA A 87 40.745 11.041 35.165 1.00 0.00 H new ATOM 606 N MET A 88 39.016 11.512 33.063 1.00 0.00 N ATOM 607 CA MET A 88 38.854 11.509 31.625 1.00 0.00 C ATOM 608 C MET A 88 37.533 12.173 31.279 1.00 0.00 C ATOM 609 O MET A 88 37.478 13.006 30.381 1.00 0.00 O ATOM 610 CB MET A 88 38.892 10.073 31.111 1.00 0.00 C ATOM 0 H MET A 88 39.195 10.590 33.462 1.00 0.00 H new ATOM 0 HA MET A 88 39.664 12.063 31.151 1.00 0.00 H new ATOM 613 N HIS A 89 36.475 11.803 32.002 1.00 0.00 N ATOM 614 CA HIS A 89 35.159 12.379 31.787 1.00 0.00 C ATOM 615 C HIS A 89 35.192 13.895 31.977 1.00 0.00 C ATOM 616 O HIS A 89 34.605 14.627 31.185 1.00 0.00 O ATOM 617 CB HIS A 89 34.166 11.739 32.753 1.00 0.00 C ATOM 0 H HIS A 89 36.511 11.103 32.743 1.00 0.00 H new ATOM 0 HA HIS A 89 34.846 12.180 30.762 1.00 0.00 H new ATOM 620 N GLU A 90 35.870 14.348 33.037 1.00 0.00 N ATOM 621 CA GLU A 90 35.976 15.774 33.331 1.00 0.00 C ATOM 622 C GLU A 90 36.434 16.540 32.088 1.00 0.00 C ATOM 623 O GLU A 90 35.849 17.553 31.711 1.00 0.00 O ATOM 624 CB GLU A 90 36.956 15.981 34.482 1.00 0.00 C ATOM 0 H GLU A 90 36.352 13.745 33.703 1.00 0.00 H new ATOM 0 HA GLU A 90 34.998 16.157 33.623 1.00 0.00 H new ATOM 627 N ALA A 91 37.485 16.016 31.462 1.00 0.00 N ATOM 628 CA ALA A 91 38.030 16.613 30.249 1.00 0.00 C ATOM 629 C ALA A 91 37.101 16.335 29.064 1.00 0.00 C ATOM 630 O ALA A 91 36.959 17.150 28.157 1.00 0.00 O ATOM 631 CB ALA A 91 39.422 16.047 29.995 1.00 0.00 C ATOM 0 H ALA A 91 37.975 15.179 31.776 1.00 0.00 H new ATOM 0 HA ALA A 91 38.105 17.694 30.371 1.00 0.00 H new ATOM 0 HB1 ALA A 91 39.835 16.490 29.089 1.00 0.00 H new ATOM 0 HB2 ALA A 91 40.069 16.280 30.840 1.00 0.00 H new ATOM 0 HB3 ALA A 91 39.359 14.966 29.874 1.00 0.00 H new ATOM 634 N GLY A 92 36.482 15.157 29.106 1.00 0.00 N ATOM 635 CA GLY A 92 35.566 14.710 28.075 1.00 0.00 C ATOM 636 C GLY A 92 34.395 15.674 27.906 1.00 0.00 C ATOM 637 O GLY A 92 34.272 16.330 26.874 1.00 0.00 O ATOM 0 H GLY A 92 36.607 14.486 29.864 1.00 0.00 H new ATOM 0 HA2 GLY A 92 36.100 14.616 27.129 1.00 0.00 H new ATOM 0 HA3 GLY A 92 35.189 13.719 28.328 1.00 0.00 H new ATOM 641 N GLY A 93 33.532 15.749 28.921 1.00 0.00 N ATOM 642 CA GLY A 93 32.358 16.597 28.887 1.00 0.00 C ATOM 643 C GLY A 93 32.723 18.074 28.934 1.00 0.00 C ATOM 644 O GLY A 93 32.110 18.881 28.239 1.00 0.00 O ATOM 0 H GLY A 93 33.635 15.220 29.787 1.00 0.00 H new ATOM 0 HA2 GLY A 93 31.789 16.392 27.980 1.00 0.00 H new ATOM 0 HA3 GLY A 93 31.711 16.356 29.731 1.00 0.00 H new ATOM 648 N ALA A 94 33.719 18.438 29.747 1.00 0.00 N ATOM 649 CA ALA A 94 34.135 19.819 29.873 1.00 0.00 C ATOM 650 C ALA A 94 34.777 20.293 28.578 1.00 0.00 C ATOM 651 O ALA A 94 34.626 21.452 28.199 1.00 0.00 O ATOM 652 CB ALA A 94 35.113 19.947 31.037 1.00 0.00 C ATOM 0 H ALA A 94 34.248 17.785 30.326 1.00 0.00 H new ATOM 0 HA ALA A 94 33.265 20.445 30.070 1.00 0.00 H new ATOM 0 HB1 ALA A 94 35.428 20.986 31.135 1.00 0.00 H new ATOM 0 HB2 ALA A 94 34.626 19.627 31.958 1.00 0.00 H new ATOM 0 HB3 ALA A 94 35.984 19.319 30.851 1.00 0.00 H new ATOM 655 N VAL A 95 35.491 19.395 27.893 1.00 0.00 N ATOM 656 CA VAL A 95 36.153 19.724 26.648 1.00 0.00 C ATOM 657 C VAL A 95 35.114 19.986 25.570 1.00 0.00 C ATOM 658 O VAL A 95 35.254 20.924 24.788 1.00 0.00 O ATOM 659 CB VAL A 95 37.074 18.577 26.245 1.00 0.00 C ATOM 0 H VAL A 95 35.620 18.428 28.192 1.00 0.00 H new ATOM 0 HA VAL A 95 36.753 20.625 26.775 1.00 0.00 H new ATOM 662 N ILE A 96 34.067 19.159 25.530 1.00 0.00 N ATOM 663 CA ILE A 96 33.006 19.319 24.558 1.00 0.00 C ATOM 664 C ILE A 96 32.239 20.594 24.877 1.00 0.00 C ATOM 665 O ILE A 96 31.836 21.323 23.973 1.00 0.00 O ATOM 666 CB ILE A 96 32.084 18.104 24.606 1.00 0.00 C ATOM 0 H ILE A 96 33.940 18.372 26.166 1.00 0.00 H new ATOM 0 HA ILE A 96 33.420 19.395 23.552 1.00 0.00 H new ATOM 669 N ALA A 97 32.049 20.865 26.171 1.00 0.00 N ATOM 670 CA ALA A 97 31.346 22.053 26.609 1.00 0.00 C ATOM 671 C ALA A 97 32.129 23.281 26.171 1.00 0.00 C ATOM 672 O ALA A 97 31.575 24.183 25.545 1.00 0.00 O ATOM 673 CB ALA A 97 31.188 22.021 28.127 1.00 0.00 C ATOM 0 H ALA A 97 32.378 20.268 26.930 1.00 0.00 H new ATOM 0 HA ALA A 97 30.353 22.090 26.162 1.00 0.00 H new ATOM 0 HB1 ALA A 97 30.659 22.915 28.457 1.00 0.00 H new ATOM 0 HB2 ALA A 97 30.620 21.136 28.415 1.00 0.00 H new ATOM 0 HB3 ALA A 97 32.172 21.989 28.595 1.00 0.00 H new ATOM 676 N ALA A 98 33.424 23.311 26.494 1.00 0.00 N ATOM 677 CA ALA A 98 34.280 24.418 26.119 1.00 0.00 C ATOM 678 C ALA A 98 34.372 24.473 24.599 1.00 0.00 C ATOM 679 O ALA A 98 34.535 25.538 24.009 1.00 0.00 O ATOM 680 CB ALA A 98 35.660 24.229 26.742 1.00 0.00 C ATOM 0 H ALA A 98 33.896 22.573 27.017 1.00 0.00 H new ATOM 0 HA ALA A 98 33.867 25.359 26.484 1.00 0.00 H new ATOM 0 HB1 ALA A 98 36.304 25.062 26.460 1.00 0.00 H new ATOM 0 HB2 ALA A 98 35.567 24.194 27.827 1.00 0.00 H new ATOM 0 HB3 ALA A 98 36.096 23.296 26.384 1.00 0.00 H new ATOM 683 N ALA A 99 34.268 23.300 23.974 1.00 0.00 N ATOM 684 CA ALA A 99 34.309 23.207 22.529 1.00 0.00 C ATOM 685 C ALA A 99 33.214 24.095 21.948 1.00 0.00 C ATOM 686 O ALA A 99 33.465 24.891 21.045 1.00 0.00 O ATOM 687 CB ALA A 99 34.109 21.754 22.107 1.00 0.00 C ATOM 0 H ALA A 99 34.155 22.406 24.452 1.00 0.00 H new ATOM 0 HA ALA A 99 35.276 23.544 22.154 1.00 0.00 H new ATOM 0 HB1 ALA A 99 34.140 21.683 21.020 1.00 0.00 H new ATOM 0 HB2 ALA A 99 34.902 21.139 22.533 1.00 0.00 H new ATOM 0 HB3 ALA A 99 33.143 21.400 22.466 1.00 0.00 H new ATOM 690 N ASN A 100 32.001 23.954 22.487 1.00 0.00 N ATOM 691 CA ASN A 100 30.850 24.712 22.029 1.00 0.00 C ATOM 692 C ASN A 100 30.805 26.131 22.590 1.00 0.00 C ATOM 693 O ASN A 100 30.851 27.097 21.831 1.00 0.00 O ATOM 694 CB ASN A 100 29.578 23.957 22.405 1.00 0.00 C ATOM 0 H ASN A 100 31.796 23.311 23.252 1.00 0.00 H new ATOM 0 HA ASN A 100 30.932 24.813 20.947 1.00 0.00 H new ATOM 697 N ALA A 101 30.695 26.256 23.916 1.00 0.00 N ATOM 698 CA ALA A 101 30.574 27.551 24.568 1.00 0.00 C ATOM 699 C ALA A 101 31.909 28.274 24.705 1.00 0.00 C ATOM 700 O ALA A 101 31.975 29.489 24.526 1.00 0.00 O ATOM 701 CB ALA A 101 29.940 27.354 25.942 1.00 0.00 C ATOM 0 H ALA A 101 30.688 25.464 24.559 1.00 0.00 H new ATOM 0 HA ALA A 101 29.945 28.182 23.940 1.00 0.00 H new ATOM 0 HB1 ALA A 101 29.844 28.319 26.440 1.00 0.00 H new ATOM 0 HB2 ALA A 101 28.953 26.906 25.826 1.00 0.00 H new ATOM 0 HB3 ALA A 101 30.569 26.697 26.542 1.00 0.00 H new ATOM 704 N GLY A 102 32.970 27.533 25.026 1.00 0.00 N ATOM 705 CA GLY A 102 34.284 28.123 25.212 1.00 0.00 C ATOM 706 C GLY A 102 34.922 28.456 23.873 1.00 0.00 C ATOM 707 O GLY A 102 34.213 28.796 22.926 1.00 0.00 O ATOM 0 H GLY A 102 32.939 26.523 25.161 1.00 0.00 H new ATOM 0 HA2 GLY A 102 34.199 29.028 25.814 1.00 0.00 H new ATOM 0 HA3 GLY A 102 34.923 27.432 25.762 1.00 0.00 H new ATOM 711 N ASP A 103 36.256 28.348 23.820 1.00 0.00 N ATOM 712 CA ASP A 103 37.045 28.633 22.632 1.00 0.00 C ATOM 713 C ASP A 103 37.959 27.457 22.316 1.00 0.00 C ATOM 714 O ASP A 103 37.957 26.448 23.020 1.00 0.00 O ATOM 715 CB ASP A 103 37.869 29.895 22.873 1.00 0.00 C ATOM 0 H ASP A 103 36.819 28.055 24.619 1.00 0.00 H new ATOM 0 HA ASP A 103 36.382 28.790 21.781 1.00 0.00 H new ATOM 718 N GLY A 104 38.744 27.598 21.246 1.00 0.00 N ATOM 719 CA GLY A 104 39.653 26.559 20.812 1.00 0.00 C ATOM 720 C GLY A 104 40.734 26.298 21.852 1.00 0.00 C ATOM 721 O GLY A 104 41.380 25.252 21.815 1.00 0.00 O ATOM 0 H GLY A 104 38.761 28.436 20.664 1.00 0.00 H new ATOM 0 HA2 GLY A 104 39.096 25.641 20.625 1.00 0.00 H new ATOM 0 HA3 GLY A 104 40.116 26.849 19.869 1.00 0.00 H new ATOM 725 N ALA A 105 40.935 27.236 22.782 1.00 0.00 N ATOM 726 CA ALA A 105 41.930 27.099 23.827 1.00 0.00 C ATOM 727 C ALA A 105 41.340 26.224 24.924 1.00 0.00 C ATOM 728 O ALA A 105 42.057 25.501 25.612 1.00 0.00 O ATOM 729 CB ALA A 105 42.288 28.479 24.371 1.00 0.00 C ATOM 0 H ALA A 105 40.408 28.108 22.824 1.00 0.00 H new ATOM 0 HA ALA A 105 42.840 26.639 23.441 1.00 0.00 H new ATOM 0 HB1 ALA A 105 43.036 28.377 25.157 1.00 0.00 H new ATOM 0 HB2 ALA A 105 42.689 29.095 23.566 1.00 0.00 H new ATOM 0 HB3 ALA A 105 41.395 28.952 24.779 1.00 0.00 H new ATOM 732 N ALA A 106 40.014 26.306 25.074 1.00 0.00 N ATOM 733 CA ALA A 106 39.299 25.550 26.080 1.00 0.00 C ATOM 734 C ALA A 106 39.240 24.090 25.664 1.00 0.00 C ATOM 735 O ALA A 106 39.379 23.201 26.501 1.00 0.00 O ATOM 736 CB ALA A 106 37.894 26.124 26.241 1.00 0.00 C ATOM 0 H ALA A 106 39.417 26.900 24.498 1.00 0.00 H new ATOM 0 HA ALA A 106 39.815 25.619 27.038 1.00 0.00 H new ATOM 0 HB1 ALA A 106 37.354 25.556 26.998 1.00 0.00 H new ATOM 0 HB2 ALA A 106 37.960 27.168 26.549 1.00 0.00 H new ATOM 0 HB3 ALA A 106 37.363 26.059 25.291 1.00 0.00 H new ATOM 739 N PHE A 107 39.045 23.844 24.365 1.00 0.00 N ATOM 740 CA PHE A 107 38.976 22.495 23.840 1.00 0.00 C ATOM 741 C PHE A 107 40.382 21.927 23.697 1.00 0.00 C ATOM 742 O PHE A 107 40.574 20.716 23.776 1.00 0.00 O ATOM 743 CB PHE A 107 38.267 22.517 22.488 1.00 0.00 C ATOM 0 H PHE A 107 38.933 24.573 23.661 1.00 0.00 H new ATOM 0 HA PHE A 107 38.414 21.860 24.525 1.00 0.00 H new ATOM 746 N GLY A 108 41.367 22.806 23.494 1.00 0.00 N ATOM 747 CA GLY A 108 42.746 22.390 23.338 1.00 0.00 C ATOM 748 C GLY A 108 43.364 22.053 24.690 1.00 0.00 C ATOM 749 O GLY A 108 43.941 20.980 24.864 1.00 0.00 O ATOM 0 H GLY A 108 41.224 23.814 23.435 1.00 0.00 H new ATOM 0 HA2 GLY A 108 42.797 21.520 22.683 1.00 0.00 H new ATOM 0 HA3 GLY A 108 43.319 23.184 22.859 1.00 0.00 H new ATOM 753 N ALA A 109 43.227 22.959 25.661 1.00 0.00 N ATOM 754 CA ALA A 109 43.784 22.750 26.981 1.00 0.00 C ATOM 755 C ALA A 109 42.915 21.731 27.695 1.00 0.00 C ATOM 756 O ALA A 109 43.415 20.871 28.418 1.00 0.00 O ATOM 757 CB ALA A 109 43.810 24.074 27.740 1.00 0.00 C ATOM 0 H ALA A 109 42.732 23.844 25.548 1.00 0.00 H new ATOM 0 HA ALA A 109 44.807 22.380 26.920 1.00 0.00 H new ATOM 0 HB1 ALA A 109 44.229 23.916 28.734 1.00 0.00 H new ATOM 0 HB2 ALA A 109 44.424 24.793 27.197 1.00 0.00 H new ATOM 0 HB3 ALA A 109 42.795 24.461 27.832 1.00 0.00 H new ATOM 760 N ALA A 110 41.604 21.827 27.470 1.00 0.00 N ATOM 761 CA ALA A 110 40.660 20.906 28.063 1.00 0.00 C ATOM 762 C ALA A 110 40.950 19.512 27.529 1.00 0.00 C ATOM 763 O ALA A 110 41.079 18.560 28.299 1.00 0.00 O ATOM 764 CB ALA A 110 39.239 21.340 27.715 1.00 0.00 C ATOM 0 H ALA A 110 41.180 22.540 26.877 1.00 0.00 H new ATOM 0 HA ALA A 110 40.756 20.901 29.149 1.00 0.00 H new ATOM 0 HB1 ALA A 110 38.527 20.646 28.162 1.00 0.00 H new ATOM 0 HB2 ALA A 110 39.060 22.343 28.102 1.00 0.00 H new ATOM 0 HB3 ALA A 110 39.114 21.341 26.632 1.00 0.00 H new ATOM 767 N LEU A 111 41.071 19.386 26.204 1.00 0.00 N ATOM 768 CA LEU A 111 41.347 18.120 25.568 1.00 0.00 C ATOM 769 C LEU A 111 42.687 17.572 26.030 1.00 0.00 C ATOM 770 O LEU A 111 42.865 16.357 26.075 1.00 0.00 O ATOM 771 CB LEU A 111 41.332 18.307 24.054 1.00 0.00 C ATOM 0 H LEU A 111 40.978 20.166 25.553 1.00 0.00 H new ATOM 0 HA LEU A 111 40.579 17.399 25.848 1.00 0.00 H new ATOM 774 N GLN A 112 43.635 18.445 26.386 1.00 0.00 N ATOM 775 CA GLN A 112 44.931 18.013 26.864 1.00 0.00 C ATOM 776 C GLN A 112 44.750 17.467 28.270 1.00 0.00 C ATOM 777 O GLN A 112 45.505 16.602 28.703 1.00 0.00 O ATOM 778 CB GLN A 112 45.897 19.193 26.856 1.00 0.00 C ATOM 0 H GLN A 112 43.518 19.458 26.348 1.00 0.00 H new ATOM 0 HA GLN A 112 45.346 17.237 26.221 1.00 0.00 H new ATOM 781 N LYS A 113 43.737 17.973 28.980 1.00 0.00 N ATOM 782 CA LYS A 113 43.442 17.500 30.317 1.00 0.00 C ATOM 783 C LYS A 113 43.055 16.038 30.176 1.00 0.00 C ATOM 784 O LYS A 113 43.522 15.179 30.924 1.00 0.00 O ATOM 785 CB LYS A 113 42.298 18.317 30.911 1.00 0.00 C ATOM 0 H LYS A 113 43.115 18.708 28.644 1.00 0.00 H new ATOM 0 HA LYS A 113 44.296 17.607 30.985 1.00 0.00 H new ATOM 788 N LEU A 114 42.211 15.768 29.177 1.00 0.00 N ATOM 789 CA LEU A 114 41.778 14.418 28.882 1.00 0.00 C ATOM 790 C LEU A 114 42.979 13.644 28.361 1.00 0.00 C ATOM 791 O LEU A 114 43.054 12.428 28.517 1.00 0.00 O ATOM 792 CB LEU A 114 40.667 14.451 27.837 1.00 0.00 C ATOM 0 H LEU A 114 41.817 16.478 28.560 1.00 0.00 H new ATOM 0 HA LEU A 114 41.386 13.935 29.777 1.00 0.00 H new ATOM 795 N GLY A 115 43.926 14.362 27.750 1.00 0.00 N ATOM 796 CA GLY A 115 45.125 13.752 27.220 1.00 0.00 C ATOM 797 C GLY A 115 45.933 13.188 28.376 1.00 0.00 C ATOM 798 O GLY A 115 46.324 12.023 28.353 1.00 0.00 O ATOM 0 H GLY A 115 43.874 15.372 27.615 1.00 0.00 H new ATOM 0 HA2 GLY A 115 44.867 12.960 26.517 1.00 0.00 H new ATOM 0 HA3 GLY A 115 45.713 14.488 26.671 1.00 0.00 H new ATOM 802 N GLY A 116 46.174 14.017 29.395 1.00 0.00 N ATOM 803 CA GLY A 116 46.920 13.603 30.564 1.00 0.00 C ATOM 804 C GLY A 116 46.268 12.373 31.173 1.00 0.00 C ATOM 805 O GLY A 116 46.869 11.303 31.174 1.00 0.00 O ATOM 0 H GLY A 116 45.856 14.986 29.424 1.00 0.00 H new ATOM 0 HA2 GLY A 116 47.952 13.383 30.291 1.00 0.00 H new ATOM 0 HA3 GLY A 116 46.949 14.411 31.295 1.00 0.00 H new ATOM 809 N THR A 117 45.051 12.531 31.704 1.00 0.00 N ATOM 810 CA THR A 117 44.321 11.433 32.314 1.00 0.00 C ATOM 811 C THR A 117 44.305 10.194 31.424 1.00 0.00 C ATOM 812 O THR A 117 44.227 9.074 31.923 1.00 0.00 O ATOM 813 CB THR A 117 42.896 11.888 32.615 1.00 0.00 C ATOM 0 H THR A 117 44.553 13.421 31.719 1.00 0.00 H new ATOM 0 HA THR A 117 44.828 11.156 33.238 1.00 0.00 H new ATOM 816 N CYS A 118 44.394 10.392 30.107 1.00 0.00 N ATOM 817 CA CYS A 118 44.373 9.289 29.165 1.00 0.00 C ATOM 818 C CYS A 118 45.702 8.542 29.161 1.00 0.00 C ATOM 819 O CYS A 118 45.795 7.433 29.684 1.00 0.00 O ATOM 820 CB CYS A 118 44.052 9.820 27.771 1.00 0.00 C ATOM 0 H CYS A 118 44.481 11.312 29.675 1.00 0.00 H new ATOM 0 HA CYS A 118 43.601 8.583 29.470 1.00 0.00 H new ATOM 823 N LYS A 119 46.728 9.147 28.557 1.00 0.00 N ATOM 824 CA LYS A 119 48.041 8.537 28.464 1.00 0.00 C ATOM 825 C LYS A 119 48.545 8.142 29.845 1.00 0.00 C ATOM 826 O LYS A 119 49.175 7.099 30.005 1.00 0.00 O ATOM 827 CB LYS A 119 49.005 9.515 27.801 1.00 0.00 C ATOM 0 H LYS A 119 46.665 10.068 28.123 1.00 0.00 H new ATOM 0 HA LYS A 119 47.975 7.633 27.859 1.00 0.00 H new ATOM 830 N ALA A 120 48.259 8.978 30.845 1.00 0.00 N ATOM 831 CA ALA A 120 48.683 8.728 32.207 1.00 0.00 C ATOM 832 C ALA A 120 47.880 7.579 32.800 1.00 0.00 C ATOM 833 O ALA A 120 48.409 6.792 33.581 1.00 0.00 O ATOM 834 CB ALA A 120 48.501 9.996 33.037 1.00 0.00 C ATOM 0 H ALA A 120 47.729 9.841 30.725 1.00 0.00 H new ATOM 0 HA ALA A 120 49.737 8.449 32.215 1.00 0.00 H new ATOM 0 HB1 ALA A 120 48.820 9.809 34.062 1.00 0.00 H new ATOM 0 HB2 ALA A 120 49.102 10.799 32.611 1.00 0.00 H new ATOM 0 HB3 ALA A 120 47.451 10.287 33.031 1.00 0.00 H new ATOM 837 N CYS A 121 46.603 7.478 32.424 1.00 0.00 N ATOM 838 CA CYS A 121 45.746 6.420 32.918 1.00 0.00 C ATOM 839 C CYS A 121 46.348 5.075 32.541 1.00 0.00 C ATOM 840 O CYS A 121 46.354 4.144 33.343 1.00 0.00 O ATOM 841 CB CYS A 121 44.351 6.578 32.320 1.00 0.00 C ATOM 0 H CYS A 121 46.147 8.122 31.777 1.00 0.00 H new ATOM 0 HA CYS A 121 45.665 6.476 34.004 1.00 0.00 H new ATOM 844 N HIS A 122 46.867 4.982 31.314 1.00 0.00 N ATOM 845 CA HIS A 122 47.475 3.758 30.831 1.00 0.00 C ATOM 846 C HIS A 122 48.752 3.482 31.614 1.00 0.00 C ATOM 847 O HIS A 122 48.835 2.492 32.338 1.00 0.00 O ATOM 848 CB HIS A 122 47.771 3.890 29.340 1.00 0.00 C ATOM 0 H HIS A 122 46.874 5.748 30.641 1.00 0.00 H new ATOM 0 HA HIS A 122 46.791 2.922 30.976 1.00 0.00 H new ATOM 851 N ASP A 123 49.747 4.360 31.460 1.00 0.00 N ATOM 852 CA ASP A 123 51.016 4.219 32.148 1.00 0.00 C ATOM 853 C ASP A 123 50.797 4.066 33.648 1.00 0.00 C ATOM 854 O ASP A 123 51.690 3.613 34.361 1.00 0.00 O ATOM 855 CB ASP A 123 51.886 5.438 31.853 1.00 0.00 C ATOM 0 H ASP A 123 49.688 5.181 30.857 1.00 0.00 H new ATOM 0 HA ASP A 123 51.522 3.322 31.791 1.00 0.00 H new ATOM 858 N ASP A 124 49.607 4.436 34.127 1.00 0.00 N ATOM 859 CA ASP A 124 49.285 4.335 35.536 1.00 0.00 C ATOM 860 C ASP A 124 49.060 2.876 35.902 1.00 0.00 C ATOM 861 O ASP A 124 49.770 2.327 36.742 1.00 0.00 O ATOM 862 CB ASP A 124 48.040 5.165 35.834 1.00 0.00 C ATOM 0 H ASP A 124 48.853 4.809 33.550 1.00 0.00 H new ATOM 0 HA ASP A 124 50.111 4.720 36.134 1.00 0.00 H new ATOM 865 N TYR A 125 48.069 2.247 35.266 1.00 0.00 N ATOM 866 CA TYR A 125 47.756 0.856 35.521 1.00 0.00 C ATOM 867 C TYR A 125 48.804 -0.029 34.861 1.00 0.00 C ATOM 868 O TYR A 125 49.381 -0.900 35.508 1.00 0.00 O ATOM 869 CB TYR A 125 46.364 0.542 34.980 1.00 0.00 C ATOM 0 H TYR A 125 47.471 2.690 34.568 1.00 0.00 H new ATOM 0 HA TYR A 125 47.764 0.663 36.594 1.00 0.00 H new ATOM 872 N ARG A 126 49.051 0.200 33.570 1.00 0.00 N ATOM 873 CA ARG A 126 50.026 -0.573 32.828 1.00 0.00 C ATOM 874 C ARG A 126 51.416 -0.341 33.403 1.00 0.00 C ATOM 875 O ARG A 126 51.574 0.399 34.372 1.00 0.00 O ATOM 876 CB ARG A 126 49.975 -0.176 31.356 1.00 0.00 C ATOM 0 H ARG A 126 48.582 0.921 33.022 1.00 0.00 H new ATOM 0 HA ARG A 126 49.794 -1.635 32.912 1.00 0.00 H new ATOM 879 N GLU A 127 52.424 -0.976 32.801 1.00 0.00 N ATOM 880 CA GLU A 127 53.794 -0.841 33.253 1.00 0.00 C ATOM 881 C GLU A 127 54.696 -1.773 32.456 1.00 0.00 C ATOM 882 O GLU A 127 55.220 -2.744 32.997 1.00 0.00 O ATOM 883 CB GLU A 127 53.871 -1.164 34.743 1.00 0.00 C ATOM 0 H GLU A 127 52.307 -1.590 31.995 1.00 0.00 H new ATOM 0 HA GLU A 127 54.132 0.183 33.096 1.00 0.00 H new ATOM 886 N GLU A 128 54.877 -1.474 31.167 1.00 0.00 N ATOM 887 CA GLU A 128 55.712 -2.282 30.301 1.00 0.00 C ATOM 888 C GLU A 128 56.094 -1.483 29.063 1.00 0.00 C ATOM 889 O GLU A 128 57.275 -1.258 28.807 1.00 0.00 O ATOM 890 CB GLU A 128 54.963 -3.554 29.914 1.00 0.00 C ATOM 0 H GLU A 128 54.449 -0.671 30.706 1.00 0.00 H new ATOM 0 HA GLU A 128 56.625 -2.561 30.826 1.00 0.00 H new ATOM 893 N ASP A 129 55.091 -1.055 28.293 1.00 0.00 N ATOM 894 CA ASP A 129 55.326 -0.285 27.089 1.00 0.00 C ATOM 895 C ASP A 129 56.132 -1.112 26.098 1.00 0.00 C ATOM 896 O ASP A 129 56.713 -0.492 25.181 1.00 0.00 O ATOM 897 CB ASP A 129 56.064 1.002 27.445 1.00 0.00 C ATOM 0 H ASP A 129 54.107 -1.234 28.491 1.00 0.00 H new ATOM 0 HA ASP A 129 54.374 -0.026 26.626 1.00 0.00 H new TER 900 ASP A 129 HETATM 901 FE HEM A 130 43.103 4.512 28.176 1.00 0.00 FE