USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 268 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -117:sc= 0.174 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 29.159 -13.044 26.361 1.00 0.00 N ATOM 2 CA ALA A 1 30.480 -12.551 26.693 1.00 0.00 C ATOM 3 C ALA A 1 31.329 -13.701 27.217 1.00 0.00 C ATOM 4 O ALA A 1 30.857 -14.832 27.307 1.00 0.00 O ATOM 5 CB ALA A 1 30.357 -11.446 27.739 1.00 0.00 C ATOM 0 H1 ALA A 1 28.990 -12.925 25.342 1.00 0.00 H new ATOM 0 H2 ALA A 1 29.093 -14.052 26.608 1.00 0.00 H new ATOM 0 H3 ALA A 1 28.445 -12.509 26.895 1.00 0.00 H new ATOM 0 HA ALA A 1 30.962 -12.139 25.806 1.00 0.00 H new ATOM 0 HB1 ALA A 1 31.349 -11.072 27.992 1.00 0.00 H new ATOM 0 HB2 ALA A 1 29.753 -10.631 27.339 1.00 0.00 H new ATOM 0 HB3 ALA A 1 29.880 -11.844 28.635 1.00 0.00 H new ATOM 7 N ASP A 2 32.585 -13.409 27.562 1.00 0.00 N ATOM 8 CA ASP A 2 33.493 -14.415 28.074 1.00 0.00 C ATOM 9 C ASP A 2 34.669 -13.741 28.767 1.00 0.00 C ATOM 10 O ASP A 2 34.867 -13.915 29.967 1.00 0.00 O ATOM 11 CB ASP A 2 33.974 -15.298 26.926 1.00 0.00 C ATOM 0 H ASP A 2 32.990 -12.475 27.492 1.00 0.00 H new ATOM 0 HA ASP A 2 32.977 -15.040 28.802 1.00 0.00 H new ATOM 14 N THR A 3 35.450 -12.971 28.006 1.00 0.00 N ATOM 15 CA THR A 3 36.600 -12.273 28.544 1.00 0.00 C ATOM 16 C THR A 3 37.346 -11.578 27.415 1.00 0.00 C ATOM 17 O THR A 3 37.463 -10.354 27.405 1.00 0.00 O ATOM 18 CB THR A 3 37.507 -13.265 29.266 1.00 0.00 C ATOM 0 H THR A 3 35.298 -12.820 27.009 1.00 0.00 H new ATOM 0 HA THR A 3 36.275 -11.518 29.260 1.00 0.00 H new ATOM 21 N LYS A 4 37.851 -12.363 26.460 1.00 0.00 N ATOM 22 CA LYS A 4 38.578 -11.825 25.328 1.00 0.00 C ATOM 23 C LYS A 4 37.714 -10.799 24.608 1.00 0.00 C ATOM 24 O LYS A 4 38.221 -9.796 24.111 1.00 0.00 O ATOM 25 CB LYS A 4 38.963 -12.962 24.387 1.00 0.00 C ATOM 0 H LYS A 4 37.764 -13.379 26.457 1.00 0.00 H new ATOM 0 HA LYS A 4 39.487 -11.332 25.672 1.00 0.00 H new ATOM 28 N GLU A 5 36.404 -11.050 24.562 1.00 0.00 N ATOM 29 CA GLU A 5 35.473 -10.152 23.910 1.00 0.00 C ATOM 30 C GLU A 5 35.322 -8.886 24.741 1.00 0.00 C ATOM 31 O GLU A 5 35.387 -7.780 24.210 1.00 0.00 O ATOM 32 CB GLU A 5 34.127 -10.852 23.742 1.00 0.00 C ATOM 0 H GLU A 5 35.970 -11.876 24.974 1.00 0.00 H new ATOM 0 HA GLU A 5 35.849 -9.878 22.924 1.00 0.00 H new ATOM 35 N VAL A 6 35.124 -9.054 26.051 1.00 0.00 N ATOM 36 CA VAL A 6 34.965 -7.932 26.954 1.00 0.00 C ATOM 37 C VAL A 6 36.214 -7.063 26.932 1.00 0.00 C ATOM 38 O VAL A 6 36.123 -5.844 27.058 1.00 0.00 O ATOM 39 CB VAL A 6 34.692 -8.450 28.363 1.00 0.00 C ATOM 0 H VAL A 6 35.071 -9.966 26.504 1.00 0.00 H new ATOM 0 HA VAL A 6 34.121 -7.322 26.633 1.00 0.00 H new ATOM 42 N LEU A 7 37.382 -7.686 26.760 1.00 0.00 N ATOM 43 CA LEU A 7 38.634 -6.957 26.714 1.00 0.00 C ATOM 44 C LEU A 7 38.742 -6.243 25.376 1.00 0.00 C ATOM 45 O LEU A 7 39.018 -5.048 25.338 1.00 0.00 O ATOM 46 CB LEU A 7 39.797 -7.925 26.912 1.00 0.00 C ATOM 0 H LEU A 7 37.478 -8.696 26.651 1.00 0.00 H new ATOM 0 HA LEU A 7 38.668 -6.215 27.512 1.00 0.00 H new ATOM 49 N GLU A 8 38.531 -6.984 24.286 1.00 0.00 N ATOM 50 CA GLU A 8 38.585 -6.427 22.947 1.00 0.00 C ATOM 51 C GLU A 8 37.685 -5.204 22.845 1.00 0.00 C ATOM 52 O GLU A 8 38.082 -4.187 22.279 1.00 0.00 O ATOM 53 CB GLU A 8 38.172 -7.493 21.936 1.00 0.00 C ATOM 0 H GLU A 8 38.319 -7.981 24.314 1.00 0.00 H new ATOM 0 HA GLU A 8 39.605 -6.111 22.728 1.00 0.00 H new ATOM 56 N ALA A 9 36.474 -5.291 23.400 1.00 0.00 N ATOM 57 CA ALA A 9 35.551 -4.178 23.380 1.00 0.00 C ATOM 58 C ALA A 9 36.207 -3.051 24.152 1.00 0.00 C ATOM 59 O ALA A 9 36.178 -1.898 23.726 1.00 0.00 O ATOM 60 CB ALA A 9 34.228 -4.591 24.017 1.00 0.00 C ATOM 0 H ALA A 9 36.119 -6.126 23.867 1.00 0.00 H new ATOM 0 HA ALA A 9 35.330 -3.857 22.362 1.00 0.00 H new ATOM 0 HB1 ALA A 9 33.537 -3.748 23.999 1.00 0.00 H new ATOM 0 HB2 ALA A 9 33.800 -5.424 23.459 1.00 0.00 H new ATOM 0 HB3 ALA A 9 34.401 -4.897 25.049 1.00 0.00 H new ATOM 63 N ARG A 10 36.819 -3.395 25.286 1.00 0.00 N ATOM 64 CA ARG A 10 37.524 -2.428 26.095 1.00 0.00 C ATOM 65 C ARG A 10 38.630 -1.815 25.250 1.00 0.00 C ATOM 66 O ARG A 10 39.009 -0.666 25.465 1.00 0.00 O ATOM 67 CB ARG A 10 38.099 -3.117 27.329 1.00 0.00 C ATOM 0 H ARG A 10 36.834 -4.345 25.658 1.00 0.00 H new ATOM 0 HA ARG A 10 36.849 -1.641 26.431 1.00 0.00 H new ATOM 70 N GLU A 11 39.141 -2.576 24.276 1.00 0.00 N ATOM 71 CA GLU A 11 40.184 -2.077 23.404 1.00 0.00 C ATOM 72 C GLU A 11 39.587 -0.950 22.580 1.00 0.00 C ATOM 73 O GLU A 11 40.234 0.065 22.334 1.00 0.00 O ATOM 74 CB GLU A 11 40.693 -3.204 22.510 1.00 0.00 C ATOM 0 H GLU A 11 38.845 -3.532 24.081 1.00 0.00 H new ATOM 0 HA GLU A 11 41.033 -1.706 23.977 1.00 0.00 H new ATOM 77 N ALA A 12 38.331 -1.138 22.171 1.00 0.00 N ATOM 78 CA ALA A 12 37.610 -0.150 21.392 1.00 0.00 C ATOM 79 C ALA A 12 37.407 1.073 22.272 1.00 0.00 C ATOM 80 O ALA A 12 37.628 2.202 21.840 1.00 0.00 O ATOM 81 CB ALA A 12 36.266 -0.731 20.963 1.00 0.00 C ATOM 0 H ALA A 12 37.793 -1.980 22.374 1.00 0.00 H new ATOM 0 HA ALA A 12 38.165 0.127 20.496 1.00 0.00 H new ATOM 0 HB1 ALA A 12 35.720 0.009 20.377 1.00 0.00 H new ATOM 0 HB2 ALA A 12 36.431 -1.623 20.359 1.00 0.00 H new ATOM 0 HB3 ALA A 12 35.685 -0.994 21.847 1.00 0.00 H new ATOM 84 N TYR A 13 36.994 0.832 23.519 1.00 0.00 N ATOM 85 CA TYR A 13 36.781 1.895 24.478 1.00 0.00 C ATOM 86 C TYR A 13 38.096 2.625 24.711 1.00 0.00 C ATOM 87 O TYR A 13 38.098 3.782 25.125 1.00 0.00 O ATOM 88 CB TYR A 13 36.250 1.304 25.781 1.00 0.00 C ATOM 0 H TYR A 13 36.802 -0.102 23.881 1.00 0.00 H new ATOM 0 HA TYR A 13 36.047 2.605 24.097 1.00 0.00 H new ATOM 91 N PHE A 14 39.214 1.947 24.432 1.00 0.00 N ATOM 92 CA PHE A 14 40.532 2.528 24.590 1.00 0.00 C ATOM 93 C PHE A 14 40.803 3.401 23.375 1.00 0.00 C ATOM 94 O PHE A 14 41.306 4.515 23.503 1.00 0.00 O ATOM 95 CB PHE A 14 41.569 1.414 24.700 1.00 0.00 C ATOM 0 H PHE A 14 39.221 0.985 24.092 1.00 0.00 H new ATOM 0 HA PHE A 14 40.588 3.131 25.496 1.00 0.00 H new ATOM 98 N LYS A 15 40.452 2.888 22.193 1.00 0.00 N ATOM 99 CA LYS A 15 40.627 3.617 20.955 1.00 0.00 C ATOM 100 C LYS A 15 39.687 4.815 20.945 1.00 0.00 C ATOM 101 O LYS A 15 39.923 5.785 20.228 1.00 0.00 O ATOM 102 CB LYS A 15 40.339 2.692 19.776 1.00 0.00 C ATOM 0 H LYS A 15 40.042 1.961 22.078 1.00 0.00 H new ATOM 0 HA LYS A 15 41.653 3.975 20.871 1.00 0.00 H new ATOM 105 N SER A 16 38.619 4.745 21.744 1.00 0.00 N ATOM 106 CA SER A 16 37.660 5.827 21.836 1.00 0.00 C ATOM 107 C SER A 16 38.267 6.967 22.642 1.00 0.00 C ATOM 108 O SER A 16 38.508 8.046 22.107 1.00 0.00 O ATOM 109 CB SER A 16 36.379 5.319 22.491 1.00 0.00 C ATOM 0 H SER A 16 38.404 3.942 22.336 1.00 0.00 H new ATOM 0 HA SER A 16 37.414 6.195 20.840 1.00 0.00 H new ATOM 112 N LEU A 17 38.509 6.725 23.933 1.00 0.00 N ATOM 113 CA LEU A 17 39.094 7.725 24.805 1.00 0.00 C ATOM 114 C LEU A 17 40.451 8.155 24.265 1.00 0.00 C ATOM 115 O LEU A 17 40.818 9.324 24.358 1.00 0.00 O ATOM 116 CB LEU A 17 39.230 7.151 26.212 1.00 0.00 C ATOM 0 H LEU A 17 38.304 5.837 24.392 1.00 0.00 H new ATOM 0 HA LEU A 17 38.448 8.602 24.843 1.00 0.00 H new ATOM 119 N GLY A 18 41.194 7.204 23.692 1.00 0.00 N ATOM 120 CA GLY A 18 42.503 7.479 23.137 1.00 0.00 C ATOM 121 C GLY A 18 42.360 8.270 21.844 1.00 0.00 C ATOM 122 O GLY A 18 43.141 9.182 21.583 1.00 0.00 O ATOM 0 H GLY A 18 40.899 6.231 23.605 1.00 0.00 H new ATOM 0 HA2 GLY A 18 43.101 8.042 23.854 1.00 0.00 H new ATOM 0 HA3 GLY A 18 43.031 6.545 22.946 1.00 0.00 H new ATOM 126 N GLY A 19 41.353 7.923 21.039 1.00 0.00 N ATOM 127 CA GLY A 19 41.105 8.603 19.783 1.00 0.00 C ATOM 128 C GLY A 19 40.712 10.044 20.068 1.00 0.00 C ATOM 129 O GLY A 19 41.170 10.961 19.391 1.00 0.00 O ATOM 0 H GLY A 19 40.697 7.169 21.244 1.00 0.00 H new ATOM 0 HA2 GLY A 19 41.996 8.573 19.156 1.00 0.00 H new ATOM 0 HA3 GLY A 19 40.311 8.098 19.232 1.00 0.00 H new ATOM 133 N SER A 20 39.866 10.237 21.083 1.00 0.00 N ATOM 134 CA SER A 20 39.435 11.564 21.470 1.00 0.00 C ATOM 135 C SER A 20 40.687 12.363 21.812 1.00 0.00 C ATOM 136 O SER A 20 40.878 13.461 21.301 1.00 0.00 O ATOM 137 CB SER A 20 38.512 11.464 22.681 1.00 0.00 C ATOM 0 H SER A 20 39.471 9.484 21.646 1.00 0.00 H new ATOM 0 HA SER A 20 38.885 12.054 20.667 1.00 0.00 H new ATOM 140 N MET A 21 41.543 11.793 22.668 1.00 0.00 N ATOM 141 CA MET A 21 42.785 12.416 23.079 1.00 0.00 C ATOM 142 C MET A 21 43.601 12.908 21.885 1.00 0.00 C ATOM 143 O MET A 21 44.044 14.054 21.868 1.00 0.00 O ATOM 144 CB MET A 21 43.598 11.409 23.888 1.00 0.00 C ATOM 0 H MET A 21 41.383 10.879 23.092 1.00 0.00 H new ATOM 0 HA MET A 21 42.547 13.288 23.687 1.00 0.00 H new ATOM 147 N LYS A 22 43.806 12.038 20.892 1.00 0.00 N ATOM 148 CA LYS A 22 44.601 12.367 19.722 1.00 0.00 C ATOM 149 C LYS A 22 43.954 13.479 18.906 1.00 0.00 C ATOM 150 O LYS A 22 44.552 14.534 18.724 1.00 0.00 O ATOM 151 CB LYS A 22 44.782 11.115 18.869 1.00 0.00 C ATOM 0 H LYS A 22 43.424 11.092 20.883 1.00 0.00 H new ATOM 0 HA LYS A 22 45.575 12.729 20.052 1.00 0.00 H new ATOM 154 N ALA A 23 42.747 13.213 18.401 1.00 0.00 N ATOM 155 CA ALA A 23 42.016 14.188 17.603 1.00 0.00 C ATOM 156 C ALA A 23 41.951 15.513 18.359 1.00 0.00 C ATOM 157 O ALA A 23 42.038 16.588 17.773 1.00 0.00 O ATOM 158 CB ALA A 23 40.615 13.660 17.313 1.00 0.00 C ATOM 0 H ALA A 23 42.258 12.328 18.533 1.00 0.00 H new ATOM 0 HA ALA A 23 42.527 14.352 16.654 1.00 0.00 H new ATOM 0 HB1 ALA A 23 40.068 14.389 16.716 1.00 0.00 H new ATOM 0 HB2 ALA A 23 40.686 12.721 16.763 1.00 0.00 H new ATOM 0 HB3 ALA A 23 40.088 13.491 18.252 1.00 0.00 H new ATOM 161 N MET A 24 41.820 15.393 19.677 1.00 0.00 N ATOM 162 CA MET A 24 41.756 16.546 20.557 1.00 0.00 C ATOM 163 C MET A 24 43.105 17.252 20.610 1.00 0.00 C ATOM 164 O MET A 24 43.162 18.479 20.620 1.00 0.00 O ATOM 165 CB MET A 24 41.326 16.118 21.957 1.00 0.00 C ATOM 0 H MET A 24 41.756 14.496 20.159 1.00 0.00 H new ATOM 0 HA MET A 24 41.017 17.243 20.162 1.00 0.00 H new ATOM 168 N THR A 25 44.191 16.477 20.640 1.00 0.00 N ATOM 169 CA THR A 25 45.530 17.029 20.720 1.00 0.00 C ATOM 170 C THR A 25 45.974 17.675 19.412 1.00 0.00 C ATOM 171 O THR A 25 46.496 18.788 19.420 1.00 0.00 O ATOM 172 CB THR A 25 46.503 15.924 21.123 1.00 0.00 C ATOM 0 H THR A 25 44.160 15.458 20.609 1.00 0.00 H new ATOM 0 HA THR A 25 45.524 17.818 21.472 1.00 0.00 H new ATOM 175 N GLY A 26 45.767 16.994 18.281 1.00 0.00 N ATOM 176 CA GLY A 26 46.189 17.499 16.990 1.00 0.00 C ATOM 177 C GLY A 26 45.299 18.652 16.553 1.00 0.00 C ATOM 178 O GLY A 26 45.803 19.696 16.153 1.00 0.00 O ATOM 0 H GLY A 26 45.305 16.085 18.244 1.00 0.00 H new ATOM 0 HA2 GLY A 26 47.225 17.832 17.044 1.00 0.00 H new ATOM 0 HA3 GLY A 26 46.149 16.700 16.250 1.00 0.00 H new ATOM 182 N VAL A 27 43.981 18.453 16.619 1.00 0.00 N ATOM 183 CA VAL A 27 43.040 19.491 16.242 1.00 0.00 C ATOM 184 C VAL A 27 43.339 20.747 17.049 1.00 0.00 C ATOM 185 O VAL A 27 43.504 21.827 16.486 1.00 0.00 O ATOM 186 CB VAL A 27 41.610 19.018 16.484 1.00 0.00 C ATOM 0 H VAL A 27 43.549 17.583 16.930 1.00 0.00 H new ATOM 0 HA VAL A 27 43.143 19.715 15.180 1.00 0.00 H new ATOM 189 N ALA A 28 43.421 20.596 18.373 1.00 0.00 N ATOM 190 CA ALA A 28 43.712 21.707 19.257 1.00 0.00 C ATOM 191 C ALA A 28 45.081 22.295 18.943 1.00 0.00 C ATOM 192 O ALA A 28 45.304 23.484 19.156 1.00 0.00 O ATOM 193 CB ALA A 28 43.653 21.231 20.705 1.00 0.00 C ATOM 0 H ALA A 28 43.287 19.705 18.851 1.00 0.00 H new ATOM 0 HA ALA A 28 42.967 22.489 19.107 1.00 0.00 H new ATOM 0 HB1 ALA A 28 43.872 22.065 21.371 1.00 0.00 H new ATOM 0 HB2 ALA A 28 42.657 20.846 20.921 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.389 20.441 20.859 1.00 0.00 H new ATOM 196 N LYS A 29 45.998 21.469 18.428 1.00 0.00 N ATOM 197 CA LYS A 29 47.334 21.922 18.090 1.00 0.00 C ATOM 198 C LYS A 29 47.293 22.698 16.780 1.00 0.00 C ATOM 199 O LYS A 29 48.076 23.623 16.579 1.00 0.00 O ATOM 200 CB LYS A 29 48.261 20.716 17.973 1.00 0.00 C ATOM 0 H LYS A 29 45.830 20.481 18.239 1.00 0.00 H new ATOM 0 HA LYS A 29 47.712 22.581 18.872 1.00 0.00 H new ATOM 203 N ALA A 30 46.364 22.318 15.899 1.00 0.00 N ATOM 204 CA ALA A 30 46.203 22.959 14.610 1.00 0.00 C ATOM 205 C ALA A 30 45.408 24.242 14.806 1.00 0.00 C ATOM 206 O ALA A 30 45.890 25.157 15.470 1.00 0.00 O ATOM 207 CB ALA A 30 45.502 22.001 13.650 1.00 0.00 C ATOM 0 H ALA A 30 45.707 21.556 16.068 1.00 0.00 H new ATOM 0 HA ALA A 30 47.171 23.211 14.177 1.00 0.00 H new ATOM 0 HB1 ALA A 30 45.380 22.482 12.680 1.00 0.00 H new ATOM 0 HB2 ALA A 30 46.102 21.098 13.534 1.00 0.00 H new ATOM 0 HB3 ALA A 30 44.523 21.737 14.050 1.00 0.00 H new ATOM 210 N PHE A 31 44.195 24.306 14.243 1.00 0.00 N ATOM 211 CA PHE A 31 43.332 25.464 14.362 1.00 0.00 C ATOM 212 C PHE A 31 42.456 25.318 15.598 1.00 0.00 C ATOM 213 O PHE A 31 42.718 24.464 16.443 1.00 0.00 O ATOM 214 CB PHE A 31 42.464 25.568 13.111 1.00 0.00 C ATOM 0 H PHE A 31 43.793 23.548 13.692 1.00 0.00 H new ATOM 0 HA PHE A 31 43.932 26.369 14.460 1.00 0.00 H new ATOM 217 N ASP A 32 41.423 26.162 15.683 1.00 0.00 N ATOM 218 CA ASP A 32 40.500 26.149 16.805 1.00 0.00 C ATOM 219 C ASP A 32 39.105 26.585 16.385 1.00 0.00 C ATOM 220 O ASP A 32 38.726 27.735 16.598 1.00 0.00 O ATOM 221 CB ASP A 32 41.040 27.073 17.892 1.00 0.00 C ATOM 0 H ASP A 32 41.210 26.867 14.977 1.00 0.00 H new ATOM 0 HA ASP A 32 40.419 25.130 17.184 1.00 0.00 H new ATOM 224 N ALA A 33 38.328 25.664 15.808 1.00 0.00 N ATOM 225 CA ALA A 33 36.971 25.949 15.392 1.00 0.00 C ATOM 226 C ALA A 33 36.316 24.665 14.895 1.00 0.00 C ATOM 227 O ALA A 33 35.679 23.948 15.665 1.00 0.00 O ATOM 228 CB ALA A 33 36.983 27.013 14.298 1.00 0.00 C ATOM 0 H ALA A 33 38.629 24.708 15.621 1.00 0.00 H new ATOM 0 HA ALA A 33 36.395 26.331 16.235 1.00 0.00 H new ATOM 0 HB1 ALA A 33 35.960 27.226 13.986 1.00 0.00 H new ATOM 0 HB2 ALA A 33 37.443 27.924 14.681 1.00 0.00 H new ATOM 0 HB3 ALA A 33 37.555 26.650 13.444 1.00 0.00 H new ATOM 231 N GLU A 34 36.482 24.376 13.602 1.00 0.00 N ATOM 232 CA GLU A 34 35.907 23.189 13.001 1.00 0.00 C ATOM 233 C GLU A 34 36.606 21.947 13.537 1.00 0.00 C ATOM 234 O GLU A 34 35.958 20.944 13.825 1.00 0.00 O ATOM 235 CB GLU A 34 36.046 23.273 11.484 1.00 0.00 C ATOM 0 H GLU A 34 37.015 24.957 12.955 1.00 0.00 H new ATOM 0 HA GLU A 34 34.849 23.124 13.255 1.00 0.00 H new ATOM 238 N ALA A 35 37.931 22.021 13.677 1.00 0.00 N ATOM 239 CA ALA A 35 38.711 20.907 14.175 1.00 0.00 C ATOM 240 C ALA A 35 38.268 20.558 15.589 1.00 0.00 C ATOM 241 O ALA A 35 37.912 19.413 15.861 1.00 0.00 O ATOM 242 CB ALA A 35 40.193 21.272 14.148 1.00 0.00 C ATOM 0 H ALA A 35 38.481 22.849 13.449 1.00 0.00 H new ATOM 0 HA ALA A 35 38.553 20.035 13.540 1.00 0.00 H new ATOM 0 HB1 ALA A 35 40.781 20.434 14.523 1.00 0.00 H new ATOM 0 HB2 ALA A 35 40.494 21.497 13.125 1.00 0.00 H new ATOM 0 HB3 ALA A 35 40.364 22.145 14.777 1.00 0.00 H new ATOM 245 N ALA A 36 38.295 21.549 16.484 1.00 0.00 N ATOM 246 CA ALA A 36 37.905 21.363 17.868 1.00 0.00 C ATOM 247 C ALA A 36 36.536 20.703 17.967 1.00 0.00 C ATOM 248 O ALA A 36 36.349 19.785 18.763 1.00 0.00 O ATOM 249 CB ALA A 36 37.899 22.717 18.571 1.00 0.00 C ATOM 0 H ALA A 36 38.589 22.500 16.261 1.00 0.00 H new ATOM 0 HA ALA A 36 38.623 20.703 18.354 1.00 0.00 H new ATOM 0 HB1 ALA A 36 37.606 22.585 19.613 1.00 0.00 H new ATOM 0 HB2 ALA A 36 38.896 23.154 18.527 1.00 0.00 H new ATOM 0 HB3 ALA A 36 37.190 23.381 18.076 1.00 0.00 H new ATOM 252 N LYS A 37 35.579 21.164 17.158 1.00 0.00 N ATOM 253 CA LYS A 37 34.241 20.604 17.171 1.00 0.00 C ATOM 254 C LYS A 37 34.306 19.104 16.906 1.00 0.00 C ATOM 255 O LYS A 37 33.674 18.317 17.606 1.00 0.00 O ATOM 256 CB LYS A 37 33.389 21.303 16.116 1.00 0.00 C ATOM 0 H LYS A 37 35.713 21.923 16.490 1.00 0.00 H new ATOM 0 HA LYS A 37 33.786 20.760 18.149 1.00 0.00 H new ATOM 259 N VAL A 38 35.081 18.717 15.891 1.00 0.00 N ATOM 260 CA VAL A 38 35.230 17.321 15.524 1.00 0.00 C ATOM 261 C VAL A 38 35.778 16.512 16.694 1.00 0.00 C ATOM 262 O VAL A 38 35.321 15.399 16.966 1.00 0.00 O ATOM 263 CB VAL A 38 36.158 17.215 14.317 1.00 0.00 C ATOM 0 H VAL A 38 35.616 19.362 15.309 1.00 0.00 H new ATOM 0 HA VAL A 38 34.253 16.912 15.265 1.00 0.00 H new ATOM 266 N GLU A 39 36.737 17.080 17.429 1.00 0.00 N ATOM 267 CA GLU A 39 37.329 16.388 18.547 1.00 0.00 C ATOM 268 C GLU A 39 36.223 16.244 19.570 1.00 0.00 C ATOM 269 O GLU A 39 36.065 15.185 20.165 1.00 0.00 O ATOM 270 CB GLU A 39 38.490 17.206 19.101 1.00 0.00 C ATOM 0 H GLU A 39 37.111 18.014 17.261 1.00 0.00 H new ATOM 0 HA GLU A 39 37.731 15.414 18.268 1.00 0.00 H new ATOM 273 N ALA A 40 35.464 17.328 19.751 1.00 0.00 N ATOM 274 CA ALA A 40 34.338 17.349 20.662 1.00 0.00 C ATOM 275 C ALA A 40 33.416 16.170 20.379 1.00 0.00 C ATOM 276 O ALA A 40 32.991 15.489 21.308 1.00 0.00 O ATOM 277 CB ALA A 40 33.591 18.671 20.520 1.00 0.00 C ATOM 0 H ALA A 40 35.620 18.211 19.266 1.00 0.00 H new ATOM 0 HA ALA A 40 34.697 17.261 21.687 1.00 0.00 H new ATOM 0 HB1 ALA A 40 32.744 18.686 21.206 1.00 0.00 H new ATOM 0 HB2 ALA A 40 34.263 19.496 20.756 1.00 0.00 H new ATOM 0 HB3 ALA A 40 33.231 18.777 19.497 1.00 0.00 H new ATOM 280 N ALA A 41 33.107 15.933 19.099 1.00 0.00 N ATOM 281 CA ALA A 41 32.260 14.820 18.707 1.00 0.00 C ATOM 282 C ALA A 41 32.862 13.542 19.273 1.00 0.00 C ATOM 283 O ALA A 41 32.154 12.690 19.808 1.00 0.00 O ATOM 284 CB ALA A 41 32.172 14.755 17.185 1.00 0.00 C ATOM 0 H ALA A 41 33.436 16.504 18.321 1.00 0.00 H new ATOM 0 HA ALA A 41 31.250 14.947 19.097 1.00 0.00 H new ATOM 0 HB1 ALA A 41 31.536 13.919 16.893 1.00 0.00 H new ATOM 0 HB2 ALA A 41 31.747 15.684 16.805 1.00 0.00 H new ATOM 0 HB3 ALA A 41 33.170 14.615 16.769 1.00 0.00 H new ATOM 287 N LYS A 42 34.187 13.436 19.169 1.00 0.00 N ATOM 288 CA LYS A 42 34.884 12.288 19.725 1.00 0.00 C ATOM 289 C LYS A 42 34.626 12.272 21.233 1.00 0.00 C ATOM 290 O LYS A 42 34.287 11.239 21.819 1.00 0.00 O ATOM 291 CB LYS A 42 36.376 12.401 19.426 1.00 0.00 C ATOM 0 H LYS A 42 34.787 14.122 18.711 1.00 0.00 H new ATOM 0 HA LYS A 42 34.525 11.359 19.282 1.00 0.00 H new ATOM 294 N LEU A 43 34.775 13.454 21.842 1.00 0.00 N ATOM 295 CA LEU A 43 34.569 13.652 23.259 1.00 0.00 C ATOM 296 C LEU A 43 33.238 13.049 23.657 1.00 0.00 C ATOM 297 O LEU A 43 33.234 12.086 24.413 1.00 0.00 O ATOM 298 CB LEU A 43 34.608 15.144 23.576 1.00 0.00 C ATOM 0 H LEU A 43 35.046 14.304 21.347 1.00 0.00 H new ATOM 0 HA LEU A 43 35.359 13.160 23.826 1.00 0.00 H new ATOM 301 N GLU A 44 32.141 13.607 23.129 1.00 0.00 N ATOM 302 CA GLU A 44 30.789 13.142 23.396 1.00 0.00 C ATOM 303 C GLU A 44 30.696 11.621 23.376 1.00 0.00 C ATOM 304 O GLU A 44 30.092 11.034 24.271 1.00 0.00 O ATOM 305 CB GLU A 44 29.842 13.744 22.361 1.00 0.00 C ATOM 0 H GLU A 44 32.177 14.406 22.496 1.00 0.00 H new ATOM 0 HA GLU A 44 30.505 13.467 24.397 1.00 0.00 H new ATOM 308 N LYS A 45 31.292 10.991 22.358 1.00 0.00 N ATOM 309 CA LYS A 45 31.294 9.544 22.246 1.00 0.00 C ATOM 310 C LYS A 45 31.841 8.959 23.541 1.00 0.00 C ATOM 311 O LYS A 45 31.336 7.957 24.042 1.00 0.00 O ATOM 312 CB LYS A 45 32.150 9.125 21.054 1.00 0.00 C ATOM 0 H LYS A 45 31.779 11.471 21.601 1.00 0.00 H new ATOM 0 HA LYS A 45 30.282 9.172 22.085 1.00 0.00 H new ATOM 315 N ILE A 46 32.868 9.615 24.083 1.00 0.00 N ATOM 316 CA ILE A 46 33.452 9.183 25.344 1.00 0.00 C ATOM 317 C ILE A 46 32.535 9.564 26.511 1.00 0.00 C ATOM 318 O ILE A 46 32.359 8.796 27.454 1.00 0.00 O ATOM 319 CB ILE A 46 34.826 9.827 25.509 1.00 0.00 C ATOM 0 H ILE A 46 33.306 10.439 23.670 1.00 0.00 H new ATOM 0 HA ILE A 46 33.564 8.099 25.340 1.00 0.00 H new ATOM 322 N LEU A 47 31.955 10.763 26.420 1.00 0.00 N ATOM 323 CA LEU A 47 31.086 11.317 27.441 1.00 0.00 C ATOM 324 C LEU A 47 29.905 10.419 27.779 1.00 0.00 C ATOM 325 O LEU A 47 29.672 10.135 28.952 1.00 0.00 O ATOM 326 CB LEU A 47 30.597 12.691 26.997 1.00 0.00 C ATOM 0 H LEU A 47 32.083 11.380 25.618 1.00 0.00 H new ATOM 0 HA LEU A 47 31.675 11.401 28.355 1.00 0.00 H new ATOM 329 N ALA A 48 29.147 9.973 26.774 1.00 0.00 N ATOM 330 CA ALA A 48 27.988 9.135 27.015 1.00 0.00 C ATOM 331 C ALA A 48 28.465 7.756 27.432 1.00 0.00 C ATOM 332 O ALA A 48 28.517 7.479 28.629 1.00 0.00 O ATOM 333 CB ALA A 48 27.136 9.061 25.751 1.00 0.00 C ATOM 0 H ALA A 48 29.321 10.182 25.791 1.00 0.00 H new ATOM 0 HA ALA A 48 27.374 9.555 27.811 1.00 0.00 H new ATOM 0 HB1 ALA A 48 26.266 8.431 25.935 1.00 0.00 H new ATOM 0 HB2 ALA A 48 26.807 10.063 25.475 1.00 0.00 H new ATOM 0 HB3 ALA A 48 27.726 8.637 24.939 1.00 0.00 H new ATOM 336 N THR A 49 28.786 6.924 26.430 1.00 0.00 N ATOM 337 CA THR A 49 29.287 5.573 26.651 1.00 0.00 C ATOM 338 C THR A 49 30.232 5.558 27.844 1.00 0.00 C ATOM 339 O THR A 49 31.179 6.338 27.911 1.00 0.00 O ATOM 340 CB THR A 49 29.995 5.081 25.392 1.00 0.00 C ATOM 0 H THR A 49 28.703 7.176 25.445 1.00 0.00 H new ATOM 0 HA THR A 49 28.454 4.905 26.868 1.00 0.00 H new ATOM 343 N ASP A 50 29.912 4.679 28.799 1.00 0.00 N ATOM 344 CA ASP A 50 30.610 4.602 30.068 1.00 0.00 C ATOM 345 C ASP A 50 31.827 3.696 30.033 1.00 0.00 C ATOM 346 O ASP A 50 31.924 2.792 29.206 1.00 0.00 O ATOM 347 CB ASP A 50 29.635 4.127 31.141 1.00 0.00 C ATOM 0 H ASP A 50 29.156 4.001 28.704 1.00 0.00 H new ATOM 0 HA ASP A 50 30.982 5.601 30.295 1.00 0.00 H new ATOM 350 N VAL A 51 32.759 3.961 30.951 1.00 0.00 N ATOM 351 CA VAL A 51 33.973 3.187 31.085 1.00 0.00 C ATOM 352 C VAL A 51 33.644 1.821 31.668 1.00 0.00 C ATOM 353 O VAL A 51 34.161 0.808 31.203 1.00 0.00 O ATOM 354 CB VAL A 51 34.949 3.934 31.988 1.00 0.00 C ATOM 0 H VAL A 51 32.682 4.726 31.622 1.00 0.00 H new ATOM 0 HA VAL A 51 34.434 3.046 30.107 1.00 0.00 H new ATOM 357 N ALA A 52 32.777 1.791 32.684 1.00 0.00 N ATOM 358 CA ALA A 52 32.390 0.551 33.322 1.00 0.00 C ATOM 359 C ALA A 52 31.717 -0.351 32.298 1.00 0.00 C ATOM 360 O ALA A 52 31.274 -1.449 32.628 1.00 0.00 O ATOM 361 CB ALA A 52 31.446 0.849 34.483 1.00 0.00 C ATOM 0 H ALA A 52 32.333 2.621 33.077 1.00 0.00 H new ATOM 0 HA ALA A 52 33.270 0.041 33.714 1.00 0.00 H new ATOM 0 HB1 ALA A 52 31.154 -0.085 34.964 1.00 0.00 H new ATOM 0 HB2 ALA A 52 31.951 1.488 35.208 1.00 0.00 H new ATOM 0 HB3 ALA A 52 30.557 1.357 34.108 1.00 0.00 H new ATOM 364 N PRO A 53 31.640 0.119 31.052 1.00 0.00 N ATOM 365 CA PRO A 53 31.028 -0.642 29.983 1.00 0.00 C ATOM 366 C PRO A 53 31.901 -1.831 29.600 1.00 0.00 C ATOM 367 O PRO A 53 31.490 -2.637 28.768 1.00 0.00 O ATOM 368 CB PRO A 53 30.797 0.265 28.779 1.00 0.00 C ATOM 0 HA PRO A 53 30.069 -1.029 30.327 1.00 0.00 H new ATOM 370 N LEU A 54 33.096 -1.928 30.202 1.00 0.00 N ATOM 371 CA LEU A 54 34.036 -3.006 29.946 1.00 0.00 C ATOM 372 C LEU A 54 34.684 -3.463 31.250 1.00 0.00 C ATOM 373 O LEU A 54 35.636 -4.240 31.219 1.00 0.00 O ATOM 374 CB LEU A 54 35.101 -2.520 28.966 1.00 0.00 C ATOM 0 H LEU A 54 33.431 -1.249 30.885 1.00 0.00 H new ATOM 0 HA LEU A 54 33.506 -3.854 29.513 1.00 0.00 H new ATOM 377 N PHE A 55 34.181 -2.987 32.394 1.00 0.00 N ATOM 378 CA PHE A 55 34.727 -3.372 33.681 1.00 0.00 C ATOM 379 C PHE A 55 33.758 -3.042 34.810 1.00 0.00 C ATOM 380 O PHE A 55 32.786 -2.318 34.604 1.00 0.00 O ATOM 381 CB PHE A 55 36.067 -2.673 33.895 1.00 0.00 C ATOM 0 H PHE A 55 33.398 -2.336 32.445 1.00 0.00 H new ATOM 0 HA PHE A 55 34.881 -4.451 33.688 1.00 0.00 H new ATOM 384 N PRO A 56 34.037 -3.586 36.000 1.00 0.00 N ATOM 385 CA PRO A 56 33.222 -3.393 37.187 1.00 0.00 C ATOM 386 C PRO A 56 33.304 -4.655 38.036 1.00 0.00 C ATOM 387 O PRO A 56 33.379 -4.589 39.261 1.00 0.00 O ATOM 388 CB PRO A 56 33.722 -2.177 37.962 1.00 0.00 C ATOM 0 HA PRO A 56 32.183 -3.211 36.913 1.00 0.00 H new ATOM 390 N ALA A 57 33.300 -5.804 37.357 1.00 0.00 N ATOM 391 CA ALA A 57 33.380 -7.103 37.990 1.00 0.00 C ATOM 392 C ALA A 57 33.963 -8.086 36.984 1.00 0.00 C ATOM 393 O ALA A 57 33.275 -8.501 36.054 1.00 0.00 O ATOM 394 CB ALA A 57 31.987 -7.540 38.432 1.00 0.00 C ATOM 0 H ALA A 57 33.240 -5.849 36.340 1.00 0.00 H new ATOM 0 HA ALA A 57 34.019 -7.065 38.872 1.00 0.00 H new ATOM 0 HB1 ALA A 57 32.047 -8.518 38.909 1.00 0.00 H new ATOM 0 HB2 ALA A 57 31.586 -6.815 39.140 1.00 0.00 H new ATOM 0 HB3 ALA A 57 31.331 -7.599 37.563 1.00 0.00 H new ATOM 397 N GLY A 58 35.233 -8.455 37.170 1.00 0.00 N ATOM 398 CA GLY A 58 35.896 -9.387 36.279 1.00 0.00 C ATOM 399 C GLY A 58 36.326 -8.687 34.998 1.00 0.00 C ATOM 400 O GLY A 58 35.660 -8.800 33.971 1.00 0.00 O ATOM 0 H GLY A 58 35.817 -8.117 37.935 1.00 0.00 H new ATOM 0 HA2 GLY A 58 36.766 -9.817 36.775 1.00 0.00 H new ATOM 0 HA3 GLY A 58 35.225 -10.212 36.042 1.00 0.00 H new ATOM 404 N THR A 59 37.450 -7.972 35.062 1.00 0.00 N ATOM 405 CA THR A 59 37.977 -7.261 33.915 1.00 0.00 C ATOM 406 C THR A 59 39.292 -6.598 34.295 1.00 0.00 C ATOM 407 O THR A 59 39.576 -5.484 33.863 1.00 0.00 O ATOM 408 CB THR A 59 36.962 -6.227 33.441 1.00 0.00 C ATOM 0 H THR A 59 38.011 -7.875 35.908 1.00 0.00 H new ATOM 0 HA THR A 59 38.161 -7.958 33.098 1.00 0.00 H new ATOM 411 N SER A 60 40.083 -7.286 35.122 1.00 0.00 N ATOM 412 CA SER A 60 41.369 -6.794 35.574 1.00 0.00 C ATOM 413 C SER A 60 42.053 -7.896 36.374 1.00 0.00 C ATOM 414 O SER A 60 41.563 -9.022 36.412 1.00 0.00 O ATOM 415 CB SER A 60 41.167 -5.545 36.427 1.00 0.00 C ATOM 0 H SER A 60 39.840 -8.204 35.494 1.00 0.00 H new ATOM 0 HA SER A 60 41.997 -6.525 34.725 1.00 0.00 H new ATOM 418 N SER A 61 43.181 -7.580 37.016 1.00 0.00 N ATOM 419 CA SER A 61 43.901 -8.565 37.801 1.00 0.00 C ATOM 420 C SER A 61 45.112 -7.941 38.481 1.00 0.00 C ATOM 421 O SER A 61 45.129 -6.738 38.730 1.00 0.00 O ATOM 422 CB SER A 61 44.327 -9.717 36.897 1.00 0.00 C ATOM 0 H SER A 61 43.607 -6.653 37.003 1.00 0.00 H new ATOM 0 HA SER A 61 43.243 -8.944 38.583 1.00 0.00 H new ATOM 425 N THR A 62 46.118 -8.774 38.774 1.00 0.00 N ATOM 426 CA THR A 62 47.342 -8.339 39.425 1.00 0.00 C ATOM 427 C THR A 62 48.361 -7.896 38.382 1.00 0.00 C ATOM 428 O THR A 62 48.358 -6.739 37.969 1.00 0.00 O ATOM 429 CB THR A 62 47.902 -9.488 40.258 1.00 0.00 C ATOM 0 H THR A 62 46.098 -9.771 38.562 1.00 0.00 H new ATOM 0 HA THR A 62 47.127 -7.492 40.077 1.00 0.00 H new ATOM 432 N ASP A 63 49.239 -8.821 37.977 1.00 0.00 N ATOM 433 CA ASP A 63 50.270 -8.552 36.991 1.00 0.00 C ATOM 434 C ASP A 63 50.609 -9.835 36.245 1.00 0.00 C ATOM 435 O ASP A 63 50.239 -10.924 36.679 1.00 0.00 O ATOM 436 CB ASP A 63 51.505 -7.988 37.686 1.00 0.00 C ATOM 0 H ASP A 63 49.247 -9.778 38.330 1.00 0.00 H new ATOM 0 HA ASP A 63 49.910 -7.817 36.271 1.00 0.00 H new ATOM 439 N LEU A 64 51.305 -9.704 35.112 1.00 0.00 N ATOM 440 CA LEU A 64 51.669 -10.855 34.309 1.00 0.00 C ATOM 441 C LEU A 64 50.387 -11.567 33.906 1.00 0.00 C ATOM 442 O LEU A 64 49.961 -12.504 34.579 1.00 0.00 O ATOM 443 CB LEU A 64 52.575 -11.777 35.119 1.00 0.00 C ATOM 0 H LEU A 64 51.623 -8.810 34.738 1.00 0.00 H new ATOM 0 HA LEU A 64 52.214 -10.551 33.415 1.00 0.00 H new ATOM 446 N PRO A 65 49.772 -11.114 32.811 1.00 0.00 N ATOM 447 CA PRO A 65 48.520 -11.672 32.341 1.00 0.00 C ATOM 448 C PRO A 65 47.413 -11.061 33.186 1.00 0.00 C ATOM 449 O PRO A 65 47.715 -10.310 34.111 1.00 0.00 O ATOM 450 CB PRO A 65 48.331 -11.332 30.865 1.00 0.00 C ATOM 0 HA PRO A 65 48.507 -12.758 32.435 1.00 0.00 H new ATOM 452 N GLY A 66 46.152 -11.379 32.867 1.00 0.00 N ATOM 453 CA GLY A 66 44.988 -10.870 33.574 1.00 0.00 C ATOM 454 C GLY A 66 44.050 -10.204 32.577 1.00 0.00 C ATOM 455 O GLY A 66 44.413 -10.009 31.419 1.00 0.00 O ATOM 0 H GLY A 66 45.917 -12.007 32.098 1.00 0.00 H new ATOM 0 HA2 GLY A 66 44.475 -11.683 34.087 1.00 0.00 H new ATOM 0 HA3 GLY A 66 45.295 -10.155 34.337 1.00 0.00 H new ATOM 459 N GLN A 67 42.842 -9.863 33.032 1.00 0.00 N ATOM 460 CA GLN A 67 41.855 -9.213 32.191 1.00 0.00 C ATOM 461 C GLN A 67 42.162 -7.724 32.101 1.00 0.00 C ATOM 462 O GLN A 67 43.211 -7.284 32.565 1.00 0.00 O ATOM 463 CB GLN A 67 40.467 -9.438 32.782 1.00 0.00 C ATOM 0 H GLN A 67 42.530 -10.032 33.988 1.00 0.00 H new ATOM 0 HA GLN A 67 41.886 -9.635 31.187 1.00 0.00 H new ATOM 466 N THR A 68 41.237 -6.975 31.491 1.00 0.00 N ATOM 467 CA THR A 68 41.333 -5.533 31.312 1.00 0.00 C ATOM 468 C THR A 68 42.105 -5.181 30.049 1.00 0.00 C ATOM 469 O THR A 68 43.173 -4.577 30.122 1.00 0.00 O ATOM 470 CB THR A 68 41.943 -4.856 32.537 1.00 0.00 C ATOM 0 H THR A 68 40.382 -7.370 31.100 1.00 0.00 H new ATOM 0 HA THR A 68 40.318 -5.152 31.197 1.00 0.00 H new ATOM 473 N GLU A 69 41.545 -5.545 28.891 1.00 0.00 N ATOM 474 CA GLU A 69 42.149 -5.251 27.605 1.00 0.00 C ATOM 475 C GLU A 69 43.604 -5.695 27.564 1.00 0.00 C ATOM 476 O GLU A 69 44.045 -6.472 28.407 1.00 0.00 O ATOM 477 CB GLU A 69 42.040 -3.753 27.330 1.00 0.00 C ATOM 0 H GLU A 69 40.661 -6.051 28.828 1.00 0.00 H new ATOM 0 HA GLU A 69 41.616 -5.805 26.832 1.00 0.00 H new ATOM 480 N ALA A 70 44.348 -5.187 26.579 1.00 0.00 N ATOM 481 CA ALA A 70 45.749 -5.521 26.422 1.00 0.00 C ATOM 482 C ALA A 70 46.500 -5.220 27.711 1.00 0.00 C ATOM 483 O ALA A 70 46.949 -6.138 28.395 1.00 0.00 O ATOM 484 CB ALA A 70 46.334 -4.727 25.257 1.00 0.00 C ATOM 0 H ALA A 70 43.992 -4.538 25.877 1.00 0.00 H new ATOM 0 HA ALA A 70 45.850 -6.585 26.207 1.00 0.00 H new ATOM 0 HB1 ALA A 70 47.388 -4.978 25.139 1.00 0.00 H new ATOM 0 HB2 ALA A 70 45.797 -4.975 24.342 1.00 0.00 H new ATOM 0 HB3 ALA A 70 46.235 -3.660 25.458 1.00 0.00 H new ATOM 487 N LYS A 71 46.642 -3.934 28.042 1.00 0.00 N ATOM 488 CA LYS A 71 47.341 -3.533 29.243 1.00 0.00 C ATOM 489 C LYS A 71 46.703 -4.188 30.459 1.00 0.00 C ATOM 490 O LYS A 71 46.201 -3.507 31.350 1.00 0.00 O ATOM 491 CB LYS A 71 47.322 -2.012 29.365 1.00 0.00 C ATOM 0 H LYS A 71 46.278 -3.159 27.487 1.00 0.00 H new ATOM 0 HA LYS A 71 48.379 -3.861 29.188 1.00 0.00 H new ATOM 494 N ALA A 72 46.735 -5.520 30.485 1.00 0.00 N ATOM 495 CA ALA A 72 46.200 -6.271 31.601 1.00 0.00 C ATOM 496 C ALA A 72 47.220 -6.132 32.717 1.00 0.00 C ATOM 497 O ALA A 72 48.388 -6.453 32.511 1.00 0.00 O ATOM 498 CB ALA A 72 46.018 -7.731 31.199 1.00 0.00 C ATOM 0 H ALA A 72 47.129 -6.095 29.740 1.00 0.00 H new ATOM 0 HA ALA A 72 45.224 -5.904 31.918 1.00 0.00 H new ATOM 0 HB1 ALA A 72 45.615 -8.293 32.042 1.00 0.00 H new ATOM 0 HB2 ALA A 72 45.328 -7.793 30.358 1.00 0.00 H new ATOM 0 HB3 ALA A 72 46.981 -8.152 30.910 1.00 0.00 H new ATOM 501 N ALA A 73 46.817 -5.640 33.891 1.00 0.00 N ATOM 502 CA ALA A 73 47.704 -5.408 35.008 1.00 0.00 C ATOM 503 C ALA A 73 46.879 -4.635 36.033 1.00 0.00 C ATOM 504 O ALA A 73 46.223 -5.248 36.872 1.00 0.00 O ATOM 505 CB ALA A 73 48.923 -4.610 34.554 1.00 0.00 C ATOM 0 H ALA A 73 45.847 -5.391 34.084 1.00 0.00 H new ATOM 0 HA ALA A 73 48.084 -6.336 35.434 1.00 0.00 H new ATOM 0 HB1 ALA A 73 49.584 -4.441 35.404 1.00 0.00 H new ATOM 0 HB2 ALA A 73 49.457 -5.167 33.784 1.00 0.00 H new ATOM 0 HB3 ALA A 73 48.600 -3.651 34.149 1.00 0.00 H new ATOM 508 N ILE A 74 46.914 -3.297 35.961 1.00 0.00 N ATOM 509 CA ILE A 74 46.140 -2.429 36.837 1.00 0.00 C ATOM 510 C ILE A 74 46.829 -2.229 38.177 1.00 0.00 C ATOM 511 O ILE A 74 47.950 -2.695 38.372 1.00 0.00 O ATOM 512 CB ILE A 74 44.713 -2.947 37.003 1.00 0.00 C ATOM 0 H ILE A 74 47.487 -2.790 35.286 1.00 0.00 H new ATOM 0 HA ILE A 74 46.078 -1.449 36.363 1.00 0.00 H new ATOM 515 N TRP A 75 46.156 -1.529 39.098 1.00 0.00 N ATOM 516 CA TRP A 75 46.687 -1.227 40.409 1.00 0.00 C ATOM 517 C TRP A 75 45.771 -0.209 41.082 1.00 0.00 C ATOM 518 O TRP A 75 45.466 0.824 40.489 1.00 0.00 O ATOM 519 CB TRP A 75 48.106 -0.679 40.287 1.00 0.00 C ATOM 0 H TRP A 75 45.219 -1.158 38.941 1.00 0.00 H new ATOM 0 HA TRP A 75 46.729 -2.133 41.013 1.00 0.00 H new ATOM 522 N ALA A 76 45.331 -0.544 42.301 1.00 0.00 N ATOM 523 CA ALA A 76 44.453 0.288 43.113 1.00 0.00 C ATOM 524 C ALA A 76 42.993 -0.059 42.852 1.00 0.00 C ATOM 525 O ALA A 76 42.612 -0.392 41.732 1.00 0.00 O ATOM 526 CB ALA A 76 44.730 1.778 42.923 1.00 0.00 C ATOM 0 H ALA A 76 45.585 -1.422 42.755 1.00 0.00 H new ATOM 0 HA ALA A 76 44.667 0.071 44.160 1.00 0.00 H new ATOM 0 HB1 ALA A 76 44.051 2.357 43.549 1.00 0.00 H new ATOM 0 HB2 ALA A 76 45.760 1.996 43.207 1.00 0.00 H new ATOM 0 HB3 ALA A 76 44.578 2.046 41.878 1.00 0.00 H new ATOM 529 N ASN A 77 42.187 0.006 43.914 1.00 0.00 N ATOM 530 CA ASN A 77 40.779 -0.339 43.881 1.00 0.00 C ATOM 531 C ASN A 77 39.991 0.238 42.713 1.00 0.00 C ATOM 532 O ASN A 77 40.279 1.320 42.204 1.00 0.00 O ATOM 533 CB ASN A 77 40.138 0.077 45.202 1.00 0.00 C ATOM 0 H ASN A 77 42.508 0.306 44.834 1.00 0.00 H new ATOM 0 HA ASN A 77 40.738 -1.418 43.734 1.00 0.00 H new ATOM 536 N MET A 78 38.970 -0.528 42.319 1.00 0.00 N ATOM 537 CA MET A 78 38.065 -0.157 41.246 1.00 0.00 C ATOM 538 C MET A 78 37.488 1.235 41.482 1.00 0.00 C ATOM 539 O MET A 78 37.113 1.920 40.533 1.00 0.00 O ATOM 540 CB MET A 78 36.947 -1.191 41.152 1.00 0.00 C ATOM 0 H MET A 78 38.753 -1.429 42.744 1.00 0.00 H new ATOM 0 HA MET A 78 38.616 -0.134 40.306 1.00 0.00 H new ATOM 543 N ASP A 79 37.424 1.652 42.748 1.00 0.00 N ATOM 544 CA ASP A 79 36.902 2.959 43.095 1.00 0.00 C ATOM 545 C ASP A 79 37.775 4.026 42.449 1.00 0.00 C ATOM 546 O ASP A 79 37.277 4.883 41.722 1.00 0.00 O ATOM 547 CB ASP A 79 36.883 3.115 44.613 1.00 0.00 C ATOM 0 H ASP A 79 37.730 1.096 43.546 1.00 0.00 H new ATOM 0 HA ASP A 79 35.881 3.068 42.728 1.00 0.00 H new ATOM 550 N ASP A 80 39.082 3.962 42.716 1.00 0.00 N ATOM 551 CA ASP A 80 40.025 4.905 42.149 1.00 0.00 C ATOM 552 C ASP A 80 39.899 4.867 40.634 1.00 0.00 C ATOM 553 O ASP A 80 39.908 5.908 39.977 1.00 0.00 O ATOM 554 CB ASP A 80 41.440 4.540 42.589 1.00 0.00 C ATOM 0 H ASP A 80 39.504 3.261 43.325 1.00 0.00 H new ATOM 0 HA ASP A 80 39.811 5.915 42.499 1.00 0.00 H new ATOM 557 N PHE A 81 39.770 3.655 40.090 1.00 0.00 N ATOM 558 CA PHE A 81 39.615 3.473 38.662 1.00 0.00 C ATOM 559 C PHE A 81 38.422 4.293 38.193 1.00 0.00 C ATOM 560 O PHE A 81 38.522 5.035 37.217 1.00 0.00 O ATOM 561 CB PHE A 81 39.416 1.991 38.354 1.00 0.00 C ATOM 0 H PHE A 81 39.771 2.788 40.627 1.00 0.00 H new ATOM 0 HA PHE A 81 40.507 3.811 38.135 1.00 0.00 H new ATOM 564 N GLY A 82 37.296 4.163 38.901 1.00 0.00 N ATOM 565 CA GLY A 82 36.096 4.906 38.579 1.00 0.00 C ATOM 566 C GLY A 82 36.422 6.391 38.543 1.00 0.00 C ATOM 567 O GLY A 82 35.920 7.116 37.688 1.00 0.00 O ATOM 0 H GLY A 82 37.201 3.543 39.705 1.00 0.00 H new ATOM 0 HA2 GLY A 82 35.703 4.584 37.615 1.00 0.00 H new ATOM 0 HA3 GLY A 82 35.322 4.709 39.321 1.00 0.00 H new ATOM 571 N ALA A 83 37.274 6.834 39.473 1.00 0.00 N ATOM 572 CA ALA A 83 37.683 8.223 39.544 1.00 0.00 C ATOM 573 C ALA A 83 38.219 8.684 38.194 1.00 0.00 C ATOM 574 O ALA A 83 37.640 9.579 37.584 1.00 0.00 O ATOM 575 CB ALA A 83 38.744 8.384 40.629 1.00 0.00 C ATOM 0 H ALA A 83 37.691 6.238 40.188 1.00 0.00 H new ATOM 0 HA ALA A 83 36.822 8.842 39.796 1.00 0.00 H new ATOM 0 HB1 ALA A 83 39.053 9.428 40.684 1.00 0.00 H new ATOM 0 HB2 ALA A 83 38.331 8.077 41.590 1.00 0.00 H new ATOM 0 HB3 ALA A 83 39.607 7.763 40.389 1.00 0.00 H new ATOM 578 N LYS A 84 39.327 8.078 37.751 1.00 0.00 N ATOM 579 CA LYS A 84 39.949 8.419 36.472 1.00 0.00 C ATOM 580 C LYS A 84 38.908 8.474 35.357 1.00 0.00 C ATOM 581 O LYS A 84 39.010 9.274 34.432 1.00 0.00 O ATOM 582 CB LYS A 84 41.032 7.394 36.148 1.00 0.00 C ATOM 0 H LYS A 84 39.812 7.344 38.266 1.00 0.00 H new ATOM 0 HA LYS A 84 40.401 9.408 36.550 1.00 0.00 H new ATOM 585 N GLY A 85 37.925 7.587 35.477 1.00 0.00 N ATOM 586 CA GLY A 85 36.825 7.537 34.532 1.00 0.00 C ATOM 587 C GLY A 85 36.210 8.933 34.463 1.00 0.00 C ATOM 588 O GLY A 85 36.329 9.629 33.455 1.00 0.00 O ATOM 0 H GLY A 85 37.872 6.893 36.223 1.00 0.00 H new ATOM 0 HA2 GLY A 85 37.179 7.226 33.549 1.00 0.00 H new ATOM 0 HA3 GLY A 85 36.081 6.806 34.849 1.00 0.00 H new ATOM 592 N LYS A 86 35.555 9.316 35.560 1.00 0.00 N ATOM 593 CA LYS A 86 34.939 10.625 35.680 1.00 0.00 C ATOM 594 C LYS A 86 35.908 11.735 35.274 1.00 0.00 C ATOM 595 O LYS A 86 35.544 12.613 34.494 1.00 0.00 O ATOM 596 CB LYS A 86 34.466 10.828 37.117 1.00 0.00 C ATOM 0 H LYS A 86 35.440 8.725 36.384 1.00 0.00 H new ATOM 0 HA LYS A 86 34.086 10.673 35.004 1.00 0.00 H new ATOM 599 N ALA A 87 37.134 11.691 35.807 1.00 0.00 N ATOM 600 CA ALA A 87 38.138 12.706 35.524 1.00 0.00 C ATOM 601 C ALA A 87 38.310 12.879 34.022 1.00 0.00 C ATOM 602 O ALA A 87 38.300 13.999 33.505 1.00 0.00 O ATOM 603 CB ALA A 87 39.458 12.307 36.176 1.00 0.00 C ATOM 0 H ALA A 87 37.450 10.956 36.440 1.00 0.00 H new ATOM 0 HA ALA A 87 37.812 13.661 35.937 1.00 0.00 H new ATOM 0 HB1 ALA A 87 40.212 13.066 35.965 1.00 0.00 H new ATOM 0 HB2 ALA A 87 39.320 12.222 37.254 1.00 0.00 H new ATOM 0 HB3 ALA A 87 39.787 11.348 35.775 1.00 0.00 H new ATOM 606 N MET A 88 38.462 11.745 33.338 1.00 0.00 N ATOM 607 CA MET A 88 38.627 11.712 31.903 1.00 0.00 C ATOM 608 C MET A 88 37.501 12.509 31.274 1.00 0.00 C ATOM 609 O MET A 88 37.755 13.378 30.444 1.00 0.00 O ATOM 610 CB MET A 88 38.611 10.265 31.419 1.00 0.00 C ATOM 0 H MET A 88 38.473 10.824 33.776 1.00 0.00 H new ATOM 0 HA MET A 88 39.582 12.152 31.616 1.00 0.00 H new ATOM 613 N HIS A 89 36.255 12.241 31.676 1.00 0.00 N ATOM 614 CA HIS A 89 35.106 12.964 31.169 1.00 0.00 C ATOM 615 C HIS A 89 35.220 14.457 31.460 1.00 0.00 C ATOM 616 O HIS A 89 34.829 15.262 30.622 1.00 0.00 O ATOM 617 CB HIS A 89 33.839 12.395 31.799 1.00 0.00 C ATOM 0 H HIS A 89 36.025 11.519 32.359 1.00 0.00 H new ATOM 0 HA HIS A 89 35.064 12.843 30.087 1.00 0.00 H new ATOM 620 N GLU A 90 35.721 14.820 32.647 1.00 0.00 N ATOM 621 CA GLU A 90 35.892 16.224 33.012 1.00 0.00 C ATOM 622 C GLU A 90 36.613 16.958 31.883 1.00 0.00 C ATOM 623 O GLU A 90 36.185 18.019 31.434 1.00 0.00 O ATOM 624 CB GLU A 90 36.684 16.318 34.313 1.00 0.00 C ATOM 0 H GLU A 90 36.013 14.159 33.367 1.00 0.00 H new ATOM 0 HA GLU A 90 34.919 16.691 33.164 1.00 0.00 H new ATOM 627 N ALA A 91 37.702 16.345 31.424 1.00 0.00 N ATOM 628 CA ALA A 91 38.461 16.893 30.302 1.00 0.00 C ATOM 629 C ALA A 91 37.689 16.651 28.994 1.00 0.00 C ATOM 630 O ALA A 91 37.716 17.459 28.072 1.00 0.00 O ATOM 631 CB ALA A 91 39.839 16.243 30.261 1.00 0.00 C ATOM 0 H ALA A 91 38.076 15.477 31.807 1.00 0.00 H new ATOM 0 HA ALA A 91 38.592 17.968 30.425 1.00 0.00 H new ATOM 0 HB1 ALA A 91 40.408 16.649 29.425 1.00 0.00 H new ATOM 0 HB2 ALA A 91 40.366 16.448 31.193 1.00 0.00 H new ATOM 0 HB3 ALA A 91 39.730 15.166 30.136 1.00 0.00 H new ATOM 634 N GLY A 92 37.009 15.509 28.964 1.00 0.00 N ATOM 635 CA GLY A 92 36.206 15.112 27.817 1.00 0.00 C ATOM 636 C GLY A 92 35.246 16.229 27.388 1.00 0.00 C ATOM 637 O GLY A 92 35.397 16.822 26.319 1.00 0.00 O ATOM 0 H GLY A 92 37.000 14.837 29.731 1.00 0.00 H new ATOM 0 HA2 GLY A 92 36.861 14.855 26.985 1.00 0.00 H new ATOM 0 HA3 GLY A 92 35.636 14.216 28.063 1.00 0.00 H new ATOM 641 N GLY A 93 34.258 16.514 28.239 1.00 0.00 N ATOM 642 CA GLY A 93 33.244 17.512 27.963 1.00 0.00 C ATOM 643 C GLY A 93 33.806 18.922 28.055 1.00 0.00 C ATOM 644 O GLY A 93 33.398 19.798 27.295 1.00 0.00 O ATOM 0 H GLY A 93 34.146 16.052 29.141 1.00 0.00 H new ATOM 0 HA2 GLY A 93 32.833 17.348 26.967 1.00 0.00 H new ATOM 0 HA3 GLY A 93 32.421 17.401 28.670 1.00 0.00 H new ATOM 648 N ALA A 94 34.745 19.152 28.977 1.00 0.00 N ATOM 649 CA ALA A 94 35.341 20.460 29.144 1.00 0.00 C ATOM 650 C ALA A 94 36.105 20.833 27.882 1.00 0.00 C ATOM 651 O ALA A 94 36.093 21.990 27.466 1.00 0.00 O ATOM 652 CB ALA A 94 36.270 20.443 30.354 1.00 0.00 C ATOM 0 H ALA A 94 35.103 18.441 29.615 1.00 0.00 H new ATOM 0 HA ALA A 94 34.563 21.205 29.313 1.00 0.00 H new ATOM 0 HB1 ALA A 94 36.720 21.428 30.481 1.00 0.00 H new ATOM 0 HB2 ALA A 94 35.700 20.186 31.247 1.00 0.00 H new ATOM 0 HB3 ALA A 94 37.055 19.703 30.200 1.00 0.00 H new ATOM 655 N VAL A 95 36.765 19.848 27.267 1.00 0.00 N ATOM 656 CA VAL A 95 37.533 20.069 26.059 1.00 0.00 C ATOM 657 C VAL A 95 36.599 20.362 24.897 1.00 0.00 C ATOM 658 O VAL A 95 36.850 21.287 24.129 1.00 0.00 O ATOM 659 CB VAL A 95 38.394 18.846 25.758 1.00 0.00 C ATOM 0 H VAL A 95 36.776 18.883 27.598 1.00 0.00 H new ATOM 0 HA VAL A 95 38.188 20.928 26.204 1.00 0.00 H new ATOM 662 N ILE A 96 35.520 19.586 24.759 1.00 0.00 N ATOM 663 CA ILE A 96 34.569 19.798 23.685 1.00 0.00 C ATOM 664 C ILE A 96 33.887 21.147 23.866 1.00 0.00 C ATOM 665 O ILE A 96 33.640 21.858 22.895 1.00 0.00 O ATOM 666 CB ILE A 96 33.534 18.677 23.706 1.00 0.00 C ATOM 0 H ILE A 96 35.291 18.810 25.380 1.00 0.00 H new ATOM 0 HA ILE A 96 35.086 19.792 22.725 1.00 0.00 H new ATOM 669 N ALA A 97 33.588 21.496 25.119 1.00 0.00 N ATOM 670 CA ALA A 97 32.930 22.749 25.431 1.00 0.00 C ATOM 671 C ALA A 97 33.755 23.922 24.918 1.00 0.00 C ATOM 672 O ALA A 97 33.236 24.788 24.217 1.00 0.00 O ATOM 673 CB ALA A 97 32.729 22.852 26.941 1.00 0.00 C ATOM 0 H ALA A 97 33.796 20.918 25.933 1.00 0.00 H new ATOM 0 HA ALA A 97 31.958 22.779 24.939 1.00 0.00 H new ATOM 0 HB1 ALA A 97 32.234 23.794 27.179 1.00 0.00 H new ATOM 0 HB2 ALA A 97 32.112 22.021 27.283 1.00 0.00 H new ATOM 0 HB3 ALA A 97 33.697 22.815 27.440 1.00 0.00 H new ATOM 676 N ALA A 98 35.043 23.947 25.268 1.00 0.00 N ATOM 677 CA ALA A 98 35.931 25.017 24.858 1.00 0.00 C ATOM 678 C ALA A 98 36.270 24.905 23.378 1.00 0.00 C ATOM 679 O ALA A 98 36.393 25.917 22.692 1.00 0.00 O ATOM 680 CB ALA A 98 37.200 24.968 25.704 1.00 0.00 C ATOM 0 H ALA A 98 35.489 23.229 25.839 1.00 0.00 H new ATOM 0 HA ALA A 98 35.430 25.973 25.011 1.00 0.00 H new ATOM 0 HB1 ALA A 98 37.871 25.771 25.400 1.00 0.00 H new ATOM 0 HB2 ALA A 98 36.941 25.091 26.756 1.00 0.00 H new ATOM 0 HB3 ALA A 98 37.695 24.007 25.562 1.00 0.00 H new ATOM 683 N ALA A 99 36.419 23.674 22.883 1.00 0.00 N ATOM 684 CA ALA A 99 36.761 23.438 21.494 1.00 0.00 C ATOM 685 C ALA A 99 35.671 23.967 20.571 1.00 0.00 C ATOM 686 O ALA A 99 35.945 24.765 19.677 1.00 0.00 O ATOM 687 CB ALA A 99 36.966 21.942 21.278 1.00 0.00 C ATOM 0 H ALA A 99 36.305 22.824 23.436 1.00 0.00 H new ATOM 0 HA ALA A 99 37.683 23.969 21.257 1.00 0.00 H new ATOM 0 HB1 ALA A 99 37.224 21.757 20.235 1.00 0.00 H new ATOM 0 HB2 ALA A 99 37.774 21.589 21.919 1.00 0.00 H new ATOM 0 HB3 ALA A 99 36.048 21.410 21.525 1.00 0.00 H new ATOM 690 N ASN A 100 34.434 23.517 20.788 1.00 0.00 N ATOM 691 CA ASN A 100 33.314 23.930 19.965 1.00 0.00 C ATOM 692 C ASN A 100 32.945 25.381 20.245 1.00 0.00 C ATOM 693 O ASN A 100 33.158 26.249 19.402 1.00 0.00 O ATOM 694 CB ASN A 100 32.125 23.011 20.230 1.00 0.00 C ATOM 0 H ASN A 100 34.190 22.864 21.532 1.00 0.00 H new ATOM 0 HA ASN A 100 33.597 23.856 18.915 1.00 0.00 H new ATOM 697 N ALA A 101 32.384 25.634 21.430 1.00 0.00 N ATOM 698 CA ALA A 101 31.968 26.967 21.821 1.00 0.00 C ATOM 699 C ALA A 101 33.166 27.777 22.299 1.00 0.00 C ATOM 700 O ALA A 101 33.408 27.864 23.501 1.00 0.00 O ATOM 701 CB ALA A 101 30.922 26.861 22.926 1.00 0.00 C ATOM 0 H ALA A 101 32.210 24.919 22.136 1.00 0.00 H new ATOM 0 HA ALA A 101 31.534 27.478 20.961 1.00 0.00 H new ATOM 0 HB1 ALA A 101 30.605 27.860 23.224 1.00 0.00 H new ATOM 0 HB2 ALA A 101 30.061 26.302 22.560 1.00 0.00 H new ATOM 0 HB3 ALA A 101 31.351 26.345 23.785 1.00 0.00 H new ATOM 704 N GLY A 102 33.900 28.385 21.361 1.00 0.00 N ATOM 705 CA GLY A 102 35.064 29.194 21.677 1.00 0.00 C ATOM 706 C GLY A 102 36.027 28.476 22.615 1.00 0.00 C ATOM 707 O GLY A 102 35.892 27.280 22.865 1.00 0.00 O ATOM 0 H GLY A 102 33.697 28.325 20.363 1.00 0.00 H new ATOM 0 HA2 GLY A 102 35.584 29.455 20.755 1.00 0.00 H new ATOM 0 HA3 GLY A 102 34.741 30.128 22.136 1.00 0.00 H new ATOM 711 N ASP A 103 37.010 29.216 23.131 1.00 0.00 N ATOM 712 CA ASP A 103 37.986 28.675 24.055 1.00 0.00 C ATOM 713 C ASP A 103 38.756 27.520 23.431 1.00 0.00 C ATOM 714 O ASP A 103 38.899 26.469 24.051 1.00 0.00 O ATOM 715 CB ASP A 103 37.278 28.222 25.329 1.00 0.00 C ATOM 0 H ASP A 103 37.145 30.204 22.916 1.00 0.00 H new ATOM 0 HA ASP A 103 38.708 29.455 24.298 1.00 0.00 H new ATOM 718 N GLY A 104 39.251 27.705 22.205 1.00 0.00 N ATOM 719 CA GLY A 104 40.019 26.680 21.526 1.00 0.00 C ATOM 720 C GLY A 104 41.365 26.501 22.214 1.00 0.00 C ATOM 721 O GLY A 104 41.950 25.420 22.177 1.00 0.00 O ATOM 0 H GLY A 104 39.128 28.563 21.667 1.00 0.00 H new ATOM 0 HA2 GLY A 104 39.470 25.738 21.531 1.00 0.00 H new ATOM 0 HA3 GLY A 104 40.168 26.956 20.482 1.00 0.00 H new ATOM 725 N ALA A 105 41.845 27.567 22.860 1.00 0.00 N ATOM 726 CA ALA A 105 43.109 27.527 23.565 1.00 0.00 C ATOM 727 C ALA A 105 42.896 26.733 24.843 1.00 0.00 C ATOM 728 O ALA A 105 43.632 25.791 25.134 1.00 0.00 O ATOM 729 CB ALA A 105 43.570 28.949 23.874 1.00 0.00 C ATOM 0 H ALA A 105 41.368 28.467 22.904 1.00 0.00 H new ATOM 0 HA ALA A 105 43.882 27.052 22.960 1.00 0.00 H new ATOM 0 HB1 ALA A 105 44.522 28.916 24.405 1.00 0.00 H new ATOM 0 HB2 ALA A 105 43.693 29.502 22.943 1.00 0.00 H new ATOM 0 HB3 ALA A 105 42.825 29.446 24.496 1.00 0.00 H new ATOM 732 N ALA A 106 41.859 27.108 25.595 1.00 0.00 N ATOM 733 CA ALA A 106 41.514 26.420 26.818 1.00 0.00 C ATOM 734 C ALA A 106 41.031 25.021 26.463 1.00 0.00 C ATOM 735 O ALA A 106 40.975 24.147 27.325 1.00 0.00 O ATOM 736 CB ALA A 106 40.429 27.201 27.554 1.00 0.00 C ATOM 0 H ALA A 106 41.246 27.891 25.367 1.00 0.00 H new ATOM 0 HA ALA A 106 42.381 26.345 27.474 1.00 0.00 H new ATOM 0 HB1 ALA A 106 40.169 26.682 28.476 1.00 0.00 H new ATOM 0 HB2 ALA A 106 40.797 28.199 27.791 1.00 0.00 H new ATOM 0 HB3 ALA A 106 39.545 27.281 26.921 1.00 0.00 H new ATOM 739 N PHE A 107 40.691 24.803 25.187 1.00 0.00 N ATOM 740 CA PHE A 107 40.229 23.513 24.724 1.00 0.00 C ATOM 741 C PHE A 107 41.398 22.544 24.747 1.00 0.00 C ATOM 742 O PHE A 107 41.398 21.614 25.545 1.00 0.00 O ATOM 743 CB PHE A 107 39.659 23.645 23.315 1.00 0.00 C ATOM 0 H PHE A 107 40.732 25.518 24.460 1.00 0.00 H new ATOM 0 HA PHE A 107 39.439 23.137 25.374 1.00 0.00 H new ATOM 746 N GLY A 108 42.381 22.753 23.866 1.00 0.00 N ATOM 747 CA GLY A 108 43.562 21.909 23.802 1.00 0.00 C ATOM 748 C GLY A 108 44.208 21.730 25.172 1.00 0.00 C ATOM 749 O GLY A 108 44.650 20.633 25.510 1.00 0.00 O ATOM 0 H GLY A 108 42.374 23.510 23.183 1.00 0.00 H new ATOM 0 HA2 GLY A 108 43.290 20.934 23.399 1.00 0.00 H new ATOM 0 HA3 GLY A 108 44.285 22.348 23.114 1.00 0.00 H new ATOM 753 N ALA A 109 44.253 22.798 25.971 1.00 0.00 N ATOM 754 CA ALA A 109 44.846 22.712 27.293 1.00 0.00 C ATOM 755 C ALA A 109 44.008 21.721 28.086 1.00 0.00 C ATOM 756 O ALA A 109 44.531 20.851 28.781 1.00 0.00 O ATOM 757 CB ALA A 109 44.839 24.089 27.950 1.00 0.00 C ATOM 0 H ALA A 109 43.889 23.718 25.724 1.00 0.00 H new ATOM 0 HA ALA A 109 45.883 22.378 27.249 1.00 0.00 H new ATOM 0 HB1 ALA A 109 45.285 24.021 28.942 1.00 0.00 H new ATOM 0 HB2 ALA A 109 45.415 24.786 27.341 1.00 0.00 H new ATOM 0 HB3 ALA A 109 43.813 24.445 28.037 1.00 0.00 H new ATOM 760 N ALA A 110 42.692 21.863 27.942 1.00 0.00 N ATOM 761 CA ALA A 110 41.744 20.989 28.600 1.00 0.00 C ATOM 762 C ALA A 110 41.950 19.553 28.130 1.00 0.00 C ATOM 763 O ALA A 110 41.938 18.627 28.939 1.00 0.00 O ATOM 764 CB ALA A 110 40.325 21.459 28.290 1.00 0.00 C ATOM 0 H ALA A 110 42.262 22.587 27.366 1.00 0.00 H new ATOM 0 HA ALA A 110 41.900 21.023 29.678 1.00 0.00 H new ATOM 0 HB1 ALA A 110 39.608 20.803 28.784 1.00 0.00 H new ATOM 0 HB2 ALA A 110 40.192 22.479 28.651 1.00 0.00 H new ATOM 0 HB3 ALA A 110 40.160 21.431 27.213 1.00 0.00 H new ATOM 767 N LEU A 111 42.152 19.360 26.822 1.00 0.00 N ATOM 768 CA LEU A 111 42.337 18.050 26.242 1.00 0.00 C ATOM 769 C LEU A 111 43.665 17.451 26.668 1.00 0.00 C ATOM 770 O LEU A 111 43.834 16.236 26.592 1.00 0.00 O ATOM 771 CB LEU A 111 42.261 18.158 24.721 1.00 0.00 C ATOM 0 H LEU A 111 42.190 20.120 26.143 1.00 0.00 H new ATOM 0 HA LEU A 111 41.547 17.389 26.598 1.00 0.00 H new ATOM 774 N GLN A 112 44.611 18.278 27.124 1.00 0.00 N ATOM 775 CA GLN A 112 45.893 17.797 27.589 1.00 0.00 C ATOM 776 C GLN A 112 45.633 17.249 28.978 1.00 0.00 C ATOM 777 O GLN A 112 46.234 16.258 29.384 1.00 0.00 O ATOM 778 CB GLN A 112 46.893 18.949 27.629 1.00 0.00 C ATOM 0 H GLN A 112 44.500 19.291 27.177 1.00 0.00 H new ATOM 0 HA GLN A 112 46.316 17.034 26.936 1.00 0.00 H new ATOM 781 N LYS A 113 44.713 17.898 29.696 1.00 0.00 N ATOM 782 CA LYS A 113 44.310 17.436 31.005 1.00 0.00 C ATOM 783 C LYS A 113 43.794 16.016 30.815 1.00 0.00 C ATOM 784 O LYS A 113 44.118 15.117 31.588 1.00 0.00 O ATOM 785 CB LYS A 113 43.219 18.348 31.559 1.00 0.00 C ATOM 0 H LYS A 113 44.239 18.745 29.383 1.00 0.00 H new ATOM 0 HA LYS A 113 45.136 17.452 31.716 1.00 0.00 H new ATOM 788 N LEU A 114 43.006 15.822 29.752 1.00 0.00 N ATOM 789 CA LEU A 114 42.465 14.520 29.412 1.00 0.00 C ATOM 790 C LEU A 114 43.592 13.630 28.906 1.00 0.00 C ATOM 791 O LEU A 114 43.533 12.409 29.037 1.00 0.00 O ATOM 792 CB LEU A 114 41.412 14.682 28.319 1.00 0.00 C ATOM 0 H LEU A 114 42.731 16.566 29.111 1.00 0.00 H new ATOM 0 HA LEU A 114 42.008 14.067 30.292 1.00 0.00 H new ATOM 795 N GLY A 115 44.621 14.254 28.328 1.00 0.00 N ATOM 796 CA GLY A 115 45.753 13.531 27.782 1.00 0.00 C ATOM 797 C GLY A 115 46.566 12.872 28.887 1.00 0.00 C ATOM 798 O GLY A 115 46.882 11.688 28.802 1.00 0.00 O ATOM 0 H GLY A 115 44.686 15.267 28.230 1.00 0.00 H new ATOM 0 HA2 GLY A 115 45.401 12.772 27.083 1.00 0.00 H new ATOM 0 HA3 GLY A 115 46.387 14.215 27.218 1.00 0.00 H new ATOM 802 N GLY A 116 46.906 13.638 29.926 1.00 0.00 N ATOM 803 CA GLY A 116 47.693 13.132 31.032 1.00 0.00 C ATOM 804 C GLY A 116 46.830 12.292 31.961 1.00 0.00 C ATOM 805 O GLY A 116 47.347 11.458 32.701 1.00 0.00 O ATOM 0 H GLY A 116 46.641 14.619 30.016 1.00 0.00 H new ATOM 0 HA2 GLY A 116 48.520 12.532 30.653 1.00 0.00 H new ATOM 0 HA3 GLY A 116 48.130 13.963 31.585 1.00 0.00 H new ATOM 809 N THR A 117 45.512 12.503 31.919 1.00 0.00 N ATOM 810 CA THR A 117 44.598 11.754 32.756 1.00 0.00 C ATOM 811 C THR A 117 44.521 10.319 32.253 1.00 0.00 C ATOM 812 O THR A 117 44.776 9.380 33.004 1.00 0.00 O ATOM 813 CB THR A 117 43.222 12.414 32.724 1.00 0.00 C ATOM 0 H THR A 117 45.063 13.188 31.311 1.00 0.00 H new ATOM 0 HA THR A 117 44.954 11.746 33.786 1.00 0.00 H new ATOM 816 N CYS A 118 44.175 10.155 30.974 1.00 0.00 N ATOM 817 CA CYS A 118 44.068 8.843 30.369 1.00 0.00 C ATOM 818 C CYS A 118 45.445 8.201 30.275 1.00 0.00 C ATOM 819 O CYS A 118 45.620 7.048 30.665 1.00 0.00 O ATOM 820 CB CYS A 118 43.438 8.973 28.986 1.00 0.00 C ATOM 0 H CYS A 118 43.965 10.926 30.341 1.00 0.00 H new ATOM 0 HA CYS A 118 43.435 8.206 30.986 1.00 0.00 H new ATOM 823 N LYS A 119 46.423 8.951 29.759 1.00 0.00 N ATOM 824 CA LYS A 119 47.778 8.456 29.613 1.00 0.00 C ATOM 825 C LYS A 119 48.297 7.948 30.950 1.00 0.00 C ATOM 826 O LYS A 119 48.749 6.809 31.043 1.00 0.00 O ATOM 827 CB LYS A 119 48.669 9.574 29.079 1.00 0.00 C ATOM 0 H LYS A 119 46.291 9.909 29.436 1.00 0.00 H new ATOM 0 HA LYS A 119 47.789 7.626 28.907 1.00 0.00 H new ATOM 830 N ALA A 120 48.233 8.799 31.978 1.00 0.00 N ATOM 831 CA ALA A 120 48.687 8.446 33.311 1.00 0.00 C ATOM 832 C ALA A 120 48.056 7.133 33.755 1.00 0.00 C ATOM 833 O ALA A 120 48.741 6.267 34.295 1.00 0.00 O ATOM 834 CB ALA A 120 48.329 9.569 34.280 1.00 0.00 C ATOM 0 H ALA A 120 47.865 9.747 31.902 1.00 0.00 H new ATOM 0 HA ALA A 120 49.769 8.314 33.302 1.00 0.00 H new ATOM 0 HB1 ALA A 120 48.669 9.307 35.282 1.00 0.00 H new ATOM 0 HB2 ALA A 120 48.814 10.492 33.962 1.00 0.00 H new ATOM 0 HB3 ALA A 120 47.248 9.711 34.289 1.00 0.00 H new ATOM 837 N CYS A 121 46.751 6.987 33.519 1.00 0.00 N ATOM 838 CA CYS A 121 46.038 5.779 33.885 1.00 0.00 C ATOM 839 C CYS A 121 46.717 4.570 33.255 1.00 0.00 C ATOM 840 O CYS A 121 47.112 3.641 33.955 1.00 0.00 O ATOM 841 CB CYS A 121 44.587 5.886 33.425 1.00 0.00 C ATOM 0 H CYS A 121 46.171 7.698 33.074 1.00 0.00 H new ATOM 0 HA CYS A 121 46.053 5.656 34.968 1.00 0.00 H new ATOM 844 N HIS A 122 46.854 4.587 31.927 1.00 0.00 N ATOM 845 CA HIS A 122 47.483 3.499 31.205 1.00 0.00 C ATOM 846 C HIS A 122 48.891 3.266 31.736 1.00 0.00 C ATOM 847 O HIS A 122 49.309 2.122 31.900 1.00 0.00 O ATOM 848 CB HIS A 122 47.520 3.835 29.717 1.00 0.00 C ATOM 0 H HIS A 122 46.532 5.352 31.334 1.00 0.00 H new ATOM 0 HA HIS A 122 46.907 2.585 31.348 1.00 0.00 H new ATOM 851 N ASP A 123 49.616 4.355 32.004 1.00 0.00 N ATOM 852 CA ASP A 123 50.971 4.278 32.513 1.00 0.00 C ATOM 853 C ASP A 123 51.014 3.407 33.760 1.00 0.00 C ATOM 854 O ASP A 123 51.922 2.596 33.922 1.00 0.00 O ATOM 855 CB ASP A 123 51.475 5.685 32.821 1.00 0.00 C ATOM 0 H ASP A 123 49.274 5.307 31.872 1.00 0.00 H new ATOM 0 HA ASP A 123 51.618 3.826 31.761 1.00 0.00 H new ATOM 858 N ASP A 124 50.022 3.570 34.639 1.00 0.00 N ATOM 859 CA ASP A 124 49.950 2.795 35.860 1.00 0.00 C ATOM 860 C ASP A 124 49.749 1.327 35.515 1.00 0.00 C ATOM 861 O ASP A 124 50.419 0.459 36.070 1.00 0.00 O ATOM 862 CB ASP A 124 48.799 3.311 36.721 1.00 0.00 C ATOM 0 H ASP A 124 49.259 4.237 34.519 1.00 0.00 H new ATOM 0 HA ASP A 124 50.878 2.897 36.422 1.00 0.00 H new ATOM 865 N TYR A 125 48.828 1.052 34.588 1.00 0.00 N ATOM 866 CA TYR A 125 48.543 -0.306 34.171 1.00 0.00 C ATOM 867 C TYR A 125 49.818 -0.978 33.682 1.00 0.00 C ATOM 868 O TYR A 125 50.342 -1.872 34.343 1.00 0.00 O ATOM 869 CB TYR A 125 47.483 -0.289 33.073 1.00 0.00 C ATOM 0 H TYR A 125 48.269 1.762 34.115 1.00 0.00 H new ATOM 0 HA TYR A 125 48.161 -0.876 35.018 1.00 0.00 H new ATOM 872 N ARG A 126 50.314 -0.551 32.518 1.00 0.00 N ATOM 873 CA ARG A 126 51.521 -1.114 31.948 1.00 0.00 C ATOM 874 C ARG A 126 51.776 -0.511 30.574 1.00 0.00 C ATOM 875 O ARG A 126 52.783 0.162 30.367 1.00 0.00 O ATOM 876 CB ARG A 126 51.380 -2.631 31.853 1.00 0.00 C ATOM 0 H ARG A 126 49.889 0.187 31.956 1.00 0.00 H new ATOM 0 HA ARG A 126 52.371 -0.880 32.589 1.00 0.00 H new ATOM 879 N GLU A 127 50.860 -0.756 29.633 1.00 0.00 N ATOM 880 CA GLU A 127 50.989 -0.239 28.286 1.00 0.00 C ATOM 881 C GLU A 127 52.152 -0.920 27.579 1.00 0.00 C ATOM 882 O GLU A 127 52.840 -1.749 28.171 1.00 0.00 O ATOM 883 CB GLU A 127 51.197 1.272 28.339 1.00 0.00 C ATOM 0 H GLU A 127 50.020 -1.313 29.790 1.00 0.00 H new ATOM 0 HA GLU A 127 50.078 -0.447 27.725 1.00 0.00 H new ATOM 886 N GLU A 128 52.369 -0.569 26.309 1.00 0.00 N ATOM 887 CA GLU A 128 53.444 -1.145 25.527 1.00 0.00 C ATOM 888 C GLU A 128 53.361 -0.640 24.093 1.00 0.00 C ATOM 889 O GLU A 128 52.472 0.141 23.759 1.00 0.00 O ATOM 890 CB GLU A 128 53.345 -2.667 25.570 1.00 0.00 C ATOM 0 H GLU A 128 51.806 0.116 25.806 1.00 0.00 H new ATOM 0 HA GLU A 128 54.405 -0.846 25.944 1.00 0.00 H new ATOM 893 N ASP A 129 54.291 -1.086 23.246 1.00 0.00 N ATOM 894 CA ASP A 129 54.318 -0.678 21.856 1.00 0.00 C ATOM 895 C ASP A 129 55.544 -1.262 21.170 1.00 0.00 C ATOM 896 O ASP A 129 55.735 -0.940 19.978 1.00 0.00 O ATOM 897 CB ASP A 129 54.326 0.846 21.774 1.00 0.00 C ATOM 0 H ASP A 129 55.035 -1.733 23.508 1.00 0.00 H new ATOM 0 HA ASP A 129 53.430 -1.051 21.346 1.00 0.00 H new TER 900 ASP A 129 HETATM 901 FE HEM A 130 43.214 4.198 28.877 1.00 0.00 FE