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 34.615 -13.907 35.348 1.00 0.00 N ATOM 2 CA ALA A 1 35.883 -14.525 35.018 1.00 0.00 C ATOM 3 C ALA A 1 36.226 -14.221 33.566 1.00 0.00 C ATOM 4 O ALA A 1 37.260 -13.619 33.284 1.00 0.00 O ATOM 5 CB ALA A 1 36.963 -13.991 35.955 1.00 0.00 C ATOM 0 H1 ALA A 1 34.376 -14.112 36.339 1.00 0.00 H new ATOM 0 H2 ALA A 1 34.685 -12.878 35.214 1.00 0.00 H new ATOM 0 H3 ALA A 1 33.872 -14.287 34.727 1.00 0.00 H new ATOM 0 HA ALA A 1 35.819 -15.606 35.142 1.00 0.00 H new ATOM 0 HB1 ALA A 1 37.919 -14.454 35.710 1.00 0.00 H new ATOM 0 HB2 ALA A 1 37.043 -12.910 35.839 1.00 0.00 H new ATOM 0 HB3 ALA A 1 36.699 -14.227 36.986 1.00 0.00 H new ATOM 7 N ASP A 2 35.355 -14.639 32.645 1.00 0.00 N ATOM 8 CA ASP A 2 35.569 -14.410 31.230 1.00 0.00 C ATOM 9 C ASP A 2 35.277 -12.955 30.893 1.00 0.00 C ATOM 10 O ASP A 2 34.877 -12.183 31.761 1.00 0.00 O ATOM 11 CB ASP A 2 34.670 -15.343 30.424 1.00 0.00 C ATOM 0 H ASP A 2 34.494 -15.139 32.864 1.00 0.00 H new ATOM 0 HA ASP A 2 36.608 -14.619 30.976 1.00 0.00 H new ATOM 14 N THR A 3 35.481 -12.582 29.627 1.00 0.00 N ATOM 15 CA THR A 3 35.241 -11.225 29.181 1.00 0.00 C ATOM 16 C THR A 3 35.578 -11.104 27.701 1.00 0.00 C ATOM 17 O THR A 3 36.464 -10.340 27.326 1.00 0.00 O ATOM 18 CB THR A 3 36.086 -10.261 30.008 1.00 0.00 C ATOM 0 H THR A 3 35.814 -13.211 28.896 1.00 0.00 H new ATOM 0 HA THR A 3 34.189 -10.973 29.317 1.00 0.00 H new ATOM 21 N LYS A 4 34.866 -11.861 26.863 1.00 0.00 N ATOM 22 CA LYS A 4 35.088 -11.840 25.431 1.00 0.00 C ATOM 23 C LYS A 4 34.444 -10.601 24.823 1.00 0.00 C ATOM 24 O LYS A 4 35.131 -9.767 24.238 1.00 0.00 O ATOM 25 CB LYS A 4 34.506 -13.107 24.811 1.00 0.00 C ATOM 0 H LYS A 4 34.128 -12.498 27.163 1.00 0.00 H new ATOM 0 HA LYS A 4 36.158 -11.805 25.227 1.00 0.00 H new ATOM 28 N GLU A 5 33.122 -10.487 24.964 1.00 0.00 N ATOM 29 CA GLU A 5 32.381 -9.363 24.425 1.00 0.00 C ATOM 30 C GLU A 5 32.542 -8.143 25.321 1.00 0.00 C ATOM 31 O GLU A 5 32.637 -7.019 24.831 1.00 0.00 O ATOM 32 CB GLU A 5 30.909 -9.745 24.302 1.00 0.00 C ATOM 0 H GLU A 5 32.545 -11.171 25.453 1.00 0.00 H new ATOM 0 HA GLU A 5 32.771 -9.112 23.439 1.00 0.00 H new ATOM 35 N VAL A 6 32.578 -8.365 26.637 1.00 0.00 N ATOM 36 CA VAL A 6 32.713 -7.286 27.596 1.00 0.00 C ATOM 37 C VAL A 6 34.029 -6.549 27.396 1.00 0.00 C ATOM 38 O VAL A 6 34.054 -5.321 27.384 1.00 0.00 O ATOM 39 CB VAL A 6 32.619 -7.851 29.010 1.00 0.00 C ATOM 0 H VAL A 6 32.514 -9.292 27.057 1.00 0.00 H new ATOM 0 HA VAL A 6 31.906 -6.570 27.444 1.00 0.00 H new ATOM 42 N LEU A 7 35.124 -7.295 27.228 1.00 0.00 N ATOM 43 CA LEU A 7 36.426 -6.690 27.033 1.00 0.00 C ATOM 44 C LEU A 7 36.467 -6.043 25.658 1.00 0.00 C ATOM 45 O LEU A 7 36.887 -4.898 25.526 1.00 0.00 O ATOM 46 CB LEU A 7 37.513 -7.752 27.167 1.00 0.00 C ATOM 0 H LEU A 7 35.126 -8.315 27.224 1.00 0.00 H new ATOM 0 HA LEU A 7 36.603 -5.926 27.790 1.00 0.00 H new ATOM 49 N GLU A 8 36.035 -6.794 24.643 1.00 0.00 N ATOM 50 CA GLU A 8 36.002 -6.312 23.274 1.00 0.00 C ATOM 51 C GLU A 8 35.303 -4.960 23.183 1.00 0.00 C ATOM 52 O GLU A 8 35.826 -4.029 22.571 1.00 0.00 O ATOM 53 CB GLU A 8 35.303 -7.342 22.391 1.00 0.00 C ATOM 0 H GLU A 8 35.700 -7.751 24.754 1.00 0.00 H new ATOM 0 HA GLU A 8 37.025 -6.174 22.925 1.00 0.00 H new ATOM 56 N ALA A 9 34.127 -4.833 23.802 1.00 0.00 N ATOM 57 CA ALA A 9 33.393 -3.588 23.778 1.00 0.00 C ATOM 58 C ALA A 9 34.268 -2.552 24.450 1.00 0.00 C ATOM 59 O ALA A 9 34.352 -1.414 23.995 1.00 0.00 O ATOM 60 CB ALA A 9 32.066 -3.755 24.514 1.00 0.00 C ATOM 0 H ALA A 9 33.672 -5.583 24.323 1.00 0.00 H new ATOM 0 HA ALA A 9 33.159 -3.279 22.759 1.00 0.00 H new ATOM 0 HB1 ALA A 9 31.517 -2.814 24.493 1.00 0.00 H new ATOM 0 HB2 ALA A 9 31.475 -4.531 24.027 1.00 0.00 H new ATOM 0 HB3 ALA A 9 32.257 -4.040 25.549 1.00 0.00 H new ATOM 63 N ARG A 10 34.937 -2.957 25.531 1.00 0.00 N ATOM 64 CA ARG A 10 35.844 -2.081 26.236 1.00 0.00 C ATOM 65 C ARG A 10 36.938 -1.641 25.275 1.00 0.00 C ATOM 66 O ARG A 10 37.427 -0.517 25.366 1.00 0.00 O ATOM 67 CB ARG A 10 36.436 -2.820 27.432 1.00 0.00 C ATOM 0 H ARG A 10 34.860 -3.892 25.930 1.00 0.00 H new ATOM 0 HA ARG A 10 35.317 -1.201 26.605 1.00 0.00 H new ATOM 70 N GLU A 11 37.317 -2.519 24.339 1.00 0.00 N ATOM 71 CA GLU A 11 38.337 -2.176 23.371 1.00 0.00 C ATOM 72 C GLU A 11 37.807 -0.989 22.587 1.00 0.00 C ATOM 73 O GLU A 11 38.544 -0.061 22.258 1.00 0.00 O ATOM 74 CB GLU A 11 38.599 -3.369 22.456 1.00 0.00 C ATOM 0 H GLU A 11 36.932 -3.458 24.240 1.00 0.00 H new ATOM 0 HA GLU A 11 39.282 -1.922 23.850 1.00 0.00 H new ATOM 77 N ALA A 12 36.502 -1.027 22.315 1.00 0.00 N ATOM 78 CA ALA A 12 35.833 0.035 21.588 1.00 0.00 C ATOM 79 C ALA A 12 35.912 1.320 22.399 1.00 0.00 C ATOM 80 O ALA A 12 36.190 2.386 21.855 1.00 0.00 O ATOM 81 CB ALA A 12 34.379 -0.360 21.345 1.00 0.00 C ATOM 0 H ALA A 12 35.888 -1.793 22.593 1.00 0.00 H new ATOM 0 HA ALA A 12 36.317 0.196 20.625 1.00 0.00 H new ATOM 0 HB1 ALA A 12 33.872 0.436 20.799 1.00 0.00 H new ATOM 0 HB2 ALA A 12 34.345 -1.280 20.761 1.00 0.00 H new ATOM 0 HB3 ALA A 12 33.880 -0.518 22.301 1.00 0.00 H new ATOM 84 N TYR A 13 35.673 1.209 23.707 1.00 0.00 N ATOM 85 CA TYR A 13 35.729 2.352 24.596 1.00 0.00 C ATOM 86 C TYR A 13 37.128 2.949 24.544 1.00 0.00 C ATOM 87 O TYR A 13 37.307 4.148 24.757 1.00 0.00 O ATOM 88 CB TYR A 13 35.380 1.910 26.014 1.00 0.00 C ATOM 0 H TYR A 13 35.438 0.330 24.168 1.00 0.00 H new ATOM 0 HA TYR A 13 35.009 3.109 24.285 1.00 0.00 H new ATOM 91 N PHE A 14 38.118 2.108 24.232 1.00 0.00 N ATOM 92 CA PHE A 14 39.496 2.542 24.141 1.00 0.00 C ATOM 93 C PHE A 14 39.678 3.278 22.824 1.00 0.00 C ATOM 94 O PHE A 14 40.489 4.194 22.727 1.00 0.00 O ATOM 95 CB PHE A 14 40.418 1.330 24.221 1.00 0.00 C ATOM 0 H PHE A 14 37.978 1.116 24.038 1.00 0.00 H new ATOM 0 HA PHE A 14 39.745 3.211 24.965 1.00 0.00 H new ATOM 98 N LYS A 15 38.910 2.872 21.809 1.00 0.00 N ATOM 99 CA LYS A 15 38.964 3.503 20.506 1.00 0.00 C ATOM 100 C LYS A 15 38.336 4.887 20.592 1.00 0.00 C ATOM 101 O LYS A 15 38.831 5.836 19.988 1.00 0.00 O ATOM 102 CB LYS A 15 38.224 2.634 19.492 1.00 0.00 C ATOM 0 H LYS A 15 38.243 2.104 21.875 1.00 0.00 H new ATOM 0 HA LYS A 15 40.000 3.609 20.183 1.00 0.00 H new ATOM 105 N SER A 16 37.245 5.001 21.354 1.00 0.00 N ATOM 106 CA SER A 16 36.560 6.268 21.523 1.00 0.00 C ATOM 107 C SER A 16 37.504 7.269 22.175 1.00 0.00 C ATOM 108 O SER A 16 37.884 8.265 21.558 1.00 0.00 O ATOM 109 CB SER A 16 35.312 6.063 22.377 1.00 0.00 C ATOM 0 H SER A 16 36.822 4.224 21.862 1.00 0.00 H new ATOM 0 HA SER A 16 36.254 6.659 20.552 1.00 0.00 H new ATOM 112 N LEU A 17 37.886 6.998 23.427 1.00 0.00 N ATOM 113 CA LEU A 17 38.795 7.867 24.147 1.00 0.00 C ATOM 114 C LEU A 17 40.071 7.978 23.329 1.00 0.00 C ATOM 115 O LEU A 17 40.720 9.024 23.307 1.00 0.00 O ATOM 116 CB LEU A 17 39.079 7.282 25.527 1.00 0.00 C ATOM 0 H LEU A 17 37.575 6.182 23.954 1.00 0.00 H new ATOM 0 HA LEU A 17 38.362 8.857 24.289 1.00 0.00 H new ATOM 119 N GLY A 18 40.404 6.889 22.632 1.00 0.00 N ATOM 120 CA GLY A 18 41.579 6.842 21.791 1.00 0.00 C ATOM 121 C GLY A 18 41.497 7.977 20.785 1.00 0.00 C ATOM 122 O GLY A 18 42.173 8.990 20.951 1.00 0.00 O ATOM 0 H GLY A 18 39.863 6.024 22.641 1.00 0.00 H new ATOM 0 HA2 GLY A 18 42.481 6.936 22.395 1.00 0.00 H new ATOM 0 HA3 GLY A 18 41.638 5.883 21.276 1.00 0.00 H new ATOM 126 N GLY A 19 40.676 7.808 19.743 1.00 0.00 N ATOM 127 CA GLY A 19 40.468 8.783 18.692 1.00 0.00 C ATOM 128 C GLY A 19 40.397 10.227 19.154 1.00 0.00 C ATOM 129 O GLY A 19 40.978 11.088 18.496 1.00 0.00 O ATOM 0 H GLY A 19 40.126 6.959 19.613 1.00 0.00 H new ATOM 0 HA2 GLY A 19 41.276 8.690 17.967 1.00 0.00 H new ATOM 0 HA3 GLY A 19 39.542 8.539 18.170 1.00 0.00 H new ATOM 133 N SER A 20 39.702 10.537 20.254 1.00 0.00 N ATOM 134 CA SER A 20 39.618 11.907 20.719 1.00 0.00 C ATOM 135 C SER A 20 41.031 12.401 21.010 1.00 0.00 C ATOM 136 O SER A 20 41.421 13.456 20.517 1.00 0.00 O ATOM 137 CB SER A 20 38.760 11.961 21.979 1.00 0.00 C ATOM 0 H SER A 20 39.198 9.860 20.826 1.00 0.00 H new ATOM 0 HA SER A 20 39.159 12.544 19.963 1.00 0.00 H new ATOM 140 N MET A 21 41.806 11.648 21.803 1.00 0.00 N ATOM 141 CA MET A 21 43.170 11.998 22.143 1.00 0.00 C ATOM 142 C MET A 21 44.028 12.243 20.905 1.00 0.00 C ATOM 143 O MET A 21 44.723 13.251 20.824 1.00 0.00 O ATOM 144 CB MET A 21 43.772 10.872 22.977 1.00 0.00 C ATOM 0 H MET A 21 41.491 10.774 22.224 1.00 0.00 H new ATOM 0 HA MET A 21 43.152 12.929 22.710 1.00 0.00 H new ATOM 147 N LYS A 22 43.988 11.310 19.951 1.00 0.00 N ATOM 148 CA LYS A 22 44.775 11.409 18.733 1.00 0.00 C ATOM 149 C LYS A 22 44.379 12.661 17.962 1.00 0.00 C ATOM 150 O LYS A 22 45.219 13.507 17.661 1.00 0.00 O ATOM 151 CB LYS A 22 44.552 10.160 17.885 1.00 0.00 C ATOM 0 H LYS A 22 43.410 10.471 20.006 1.00 0.00 H new ATOM 0 HA LYS A 22 45.833 11.481 18.983 1.00 0.00 H new ATOM 154 N ALA A 23 43.087 12.766 17.650 1.00 0.00 N ATOM 155 CA ALA A 23 42.577 13.928 16.946 1.00 0.00 C ATOM 156 C ALA A 23 42.859 15.173 17.788 1.00 0.00 C ATOM 157 O ALA A 23 42.828 16.295 17.287 1.00 0.00 O ATOM 158 CB ALA A 23 41.080 13.761 16.701 1.00 0.00 C ATOM 0 H ALA A 23 42.384 12.062 17.875 1.00 0.00 H new ATOM 0 HA ALA A 23 43.069 14.034 15.979 1.00 0.00 H new ATOM 0 HB1 ALA A 23 40.698 14.634 16.172 1.00 0.00 H new ATOM 0 HB2 ALA A 23 40.907 12.868 16.100 1.00 0.00 H new ATOM 0 HB3 ALA A 23 40.564 13.661 17.656 1.00 0.00 H new ATOM 161 N MET A 24 43.141 14.948 19.075 1.00 0.00 N ATOM 162 CA MET A 24 43.421 16.008 20.021 1.00 0.00 C ATOM 163 C MET A 24 44.863 16.476 19.887 1.00 0.00 C ATOM 164 O MET A 24 45.130 17.674 19.844 1.00 0.00 O ATOM 165 CB MET A 24 43.151 15.504 21.436 1.00 0.00 C ATOM 0 H MET A 24 43.179 14.014 19.483 1.00 0.00 H new ATOM 0 HA MET A 24 42.771 16.858 19.812 1.00 0.00 H new ATOM 168 N THR A 25 45.792 15.519 19.832 1.00 0.00 N ATOM 169 CA THR A 25 47.206 15.815 19.741 1.00 0.00 C ATOM 170 C THR A 25 47.578 16.316 18.354 1.00 0.00 C ATOM 171 O THR A 25 48.497 17.123 18.217 1.00 0.00 O ATOM 172 CB THR A 25 48.005 14.561 20.086 1.00 0.00 C ATOM 0 H THR A 25 45.576 14.522 19.850 1.00 0.00 H new ATOM 0 HA THR A 25 47.444 16.608 20.450 1.00 0.00 H new ATOM 175 N GLY A 26 46.860 15.868 17.321 1.00 0.00 N ATOM 176 CA GLY A 26 47.138 16.274 15.959 1.00 0.00 C ATOM 177 C GLY A 26 46.537 17.652 15.747 1.00 0.00 C ATOM 178 O GLY A 26 47.206 18.557 15.252 1.00 0.00 O ATOM 0 H GLY A 26 46.078 15.220 17.413 1.00 0.00 H new ATOM 0 HA2 GLY A 26 48.213 16.296 15.780 1.00 0.00 H new ATOM 0 HA3 GLY A 26 46.712 15.560 15.254 1.00 0.00 H new ATOM 182 N VAL A 27 45.270 17.814 16.139 1.00 0.00 N ATOM 183 CA VAL A 27 44.599 19.090 16.027 1.00 0.00 C ATOM 184 C VAL A 27 45.332 20.069 16.929 1.00 0.00 C ATOM 185 O VAL A 27 45.448 21.250 16.610 1.00 0.00 O ATOM 186 CB VAL A 27 43.141 18.940 16.450 1.00 0.00 C ATOM 0 H VAL A 27 44.697 17.070 16.536 1.00 0.00 H new ATOM 0 HA VAL A 27 44.609 19.455 15.000 1.00 0.00 H new ATOM 189 N ALA A 28 45.844 19.563 18.054 1.00 0.00 N ATOM 190 CA ALA A 28 46.581 20.369 19.004 1.00 0.00 C ATOM 191 C ALA A 28 47.830 20.927 18.341 1.00 0.00 C ATOM 192 O ALA A 28 48.161 22.094 18.534 1.00 0.00 O ATOM 193 CB ALA A 28 46.951 19.515 20.214 1.00 0.00 C ATOM 0 H ALA A 28 45.754 18.583 18.323 1.00 0.00 H new ATOM 0 HA ALA A 28 45.963 21.203 19.338 1.00 0.00 H new ATOM 0 HB1 ALA A 28 47.506 20.120 20.931 1.00 0.00 H new ATOM 0 HB2 ALA A 28 46.043 19.138 20.684 1.00 0.00 H new ATOM 0 HB3 ALA A 28 47.568 18.676 19.892 1.00 0.00 H new ATOM 196 N LYS A 29 48.523 20.101 17.551 1.00 0.00 N ATOM 197 CA LYS A 29 49.723 20.537 16.865 1.00 0.00 C ATOM 198 C LYS A 29 49.336 21.426 15.692 1.00 0.00 C ATOM 199 O LYS A 29 49.599 22.627 15.714 1.00 0.00 O ATOM 200 CB LYS A 29 50.509 19.320 16.386 1.00 0.00 C ATOM 0 H LYS A 29 48.266 19.129 17.377 1.00 0.00 H new ATOM 0 HA LYS A 29 50.354 21.109 17.545 1.00 0.00 H new ATOM 203 N ALA A 30 48.711 20.829 14.672 1.00 0.00 N ATOM 204 CA ALA A 30 48.277 21.547 13.488 1.00 0.00 C ATOM 205 C ALA A 30 46.909 22.168 13.733 1.00 0.00 C ATOM 206 O ALA A 30 45.927 21.747 13.126 1.00 0.00 O ATOM 207 CB ALA A 30 48.216 20.578 12.311 1.00 0.00 C ATOM 0 H ALA A 30 48.495 19.832 14.652 1.00 0.00 H new ATOM 0 HA ALA A 30 48.984 22.345 13.261 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.890 21.111 11.418 1.00 0.00 H new ATOM 0 HB2 ALA A 30 49.204 20.151 12.139 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.510 19.778 12.534 1.00 0.00 H new ATOM 210 N PHE A 31 46.858 23.158 14.631 1.00 0.00 N ATOM 211 CA PHE A 31 45.627 23.850 14.969 1.00 0.00 C ATOM 212 C PHE A 31 44.871 24.268 13.714 1.00 0.00 C ATOM 213 O PHE A 31 45.482 24.713 12.744 1.00 0.00 O ATOM 214 CB PHE A 31 45.951 25.069 15.829 1.00 0.00 C ATOM 0 H PHE A 31 47.675 23.496 15.140 1.00 0.00 H new ATOM 0 HA PHE A 31 44.985 23.171 15.530 1.00 0.00 H new ATOM 217 N ASP A 32 43.544 24.100 13.743 1.00 0.00 N ATOM 218 CA ASP A 32 42.682 24.438 12.622 1.00 0.00 C ATOM 219 C ASP A 32 41.291 24.837 13.104 1.00 0.00 C ATOM 220 O ASP A 32 40.506 25.367 12.322 1.00 0.00 O ATOM 221 CB ASP A 32 42.599 23.242 11.677 1.00 0.00 C ATOM 0 H ASP A 32 43.044 23.725 14.549 1.00 0.00 H new ATOM 0 HA ASP A 32 43.105 25.292 12.092 1.00 0.00 H new ATOM 224 N ALA A 33 40.989 24.577 14.382 1.00 0.00 N ATOM 225 CA ALA A 33 39.708 24.916 14.976 1.00 0.00 C ATOM 226 C ALA A 33 38.638 23.918 14.554 1.00 0.00 C ATOM 227 O ALA A 33 37.873 23.443 15.390 1.00 0.00 O ATOM 228 CB ALA A 33 39.312 26.345 14.613 1.00 0.00 C ATOM 0 H ALA A 33 41.635 24.124 15.028 1.00 0.00 H new ATOM 0 HA ALA A 33 39.802 24.861 16.061 1.00 0.00 H new ATOM 0 HB1 ALA A 33 38.350 26.582 15.066 1.00 0.00 H new ATOM 0 HB2 ALA A 33 40.068 27.037 14.983 1.00 0.00 H new ATOM 0 HB3 ALA A 33 39.235 26.437 13.530 1.00 0.00 H new ATOM 231 N GLU A 34 38.583 23.594 13.260 1.00 0.00 N ATOM 232 CA GLU A 34 37.602 22.660 12.745 1.00 0.00 C ATOM 233 C GLU A 34 37.840 21.267 13.313 1.00 0.00 C ATOM 234 O GLU A 34 36.908 20.619 13.787 1.00 0.00 O ATOM 235 CB GLU A 34 37.675 22.639 11.221 1.00 0.00 C ATOM 0 H GLU A 34 39.214 23.972 12.553 1.00 0.00 H new ATOM 0 HA GLU A 34 36.606 22.981 13.051 1.00 0.00 H new ATOM 238 N ALA A 35 39.093 20.805 13.272 1.00 0.00 N ATOM 239 CA ALA A 35 39.441 19.489 13.770 1.00 0.00 C ATOM 240 C ALA A 35 39.090 19.387 15.246 1.00 0.00 C ATOM 241 O ALA A 35 38.452 18.425 15.666 1.00 0.00 O ATOM 242 CB ALA A 35 40.930 19.243 13.550 1.00 0.00 C ATOM 0 H ALA A 35 39.880 21.333 12.895 1.00 0.00 H new ATOM 0 HA ALA A 35 38.876 18.729 13.230 1.00 0.00 H new ATOM 0 HB1 ALA A 35 41.194 18.254 13.924 1.00 0.00 H new ATOM 0 HB2 ALA A 35 41.155 19.301 12.485 1.00 0.00 H new ATOM 0 HB3 ALA A 35 41.506 19.999 14.084 1.00 0.00 H new ATOM 245 N ALA A 36 39.511 20.384 16.030 1.00 0.00 N ATOM 246 CA ALA A 36 39.244 20.412 17.454 1.00 0.00 C ATOM 247 C ALA A 36 37.752 20.252 17.709 1.00 0.00 C ATOM 248 O ALA A 36 37.353 19.424 18.523 1.00 0.00 O ATOM 249 CB ALA A 36 39.753 21.727 18.039 1.00 0.00 C ATOM 0 H ALA A 36 40.042 21.185 15.689 1.00 0.00 H new ATOM 0 HA ALA A 36 39.763 19.585 17.939 1.00 0.00 H new ATOM 0 HB1 ALA A 36 39.553 21.750 19.110 1.00 0.00 H new ATOM 0 HB2 ALA A 36 40.826 21.810 17.868 1.00 0.00 H new ATOM 0 HB3 ALA A 36 39.243 22.561 17.557 1.00 0.00 H new ATOM 252 N LYS A 37 36.935 21.049 17.015 1.00 0.00 N ATOM 253 CA LYS A 37 35.492 20.997 17.155 1.00 0.00 C ATOM 254 C LYS A 37 34.979 19.571 16.999 1.00 0.00 C ATOM 255 O LYS A 37 34.160 19.117 17.795 1.00 0.00 O ATOM 256 CB LYS A 37 34.852 21.914 16.117 1.00 0.00 C ATOM 0 H LYS A 37 37.262 21.744 16.344 1.00 0.00 H new ATOM 0 HA LYS A 37 35.221 21.337 18.154 1.00 0.00 H new ATOM 259 N VAL A 38 35.462 18.860 15.977 1.00 0.00 N ATOM 260 CA VAL A 38 35.042 17.492 15.734 1.00 0.00 C ATOM 261 C VAL A 38 35.542 16.590 16.855 1.00 0.00 C ATOM 262 O VAL A 38 34.911 15.586 17.189 1.00 0.00 O ATOM 263 CB VAL A 38 35.586 17.029 14.385 1.00 0.00 C ATOM 0 H VAL A 38 36.145 19.216 15.308 1.00 0.00 H new ATOM 0 HA VAL A 38 33.953 17.439 15.712 1.00 0.00 H new ATOM 266 N GLU A 39 36.666 16.969 17.467 1.00 0.00 N ATOM 267 CA GLU A 39 37.241 16.193 18.542 1.00 0.00 C ATOM 268 C GLU A 39 36.316 16.341 19.734 1.00 0.00 C ATOM 269 O GLU A 39 35.980 15.358 20.389 1.00 0.00 O ATOM 270 CB GLU A 39 38.640 16.712 18.861 1.00 0.00 C ATOM 0 H GLU A 39 37.189 17.812 17.228 1.00 0.00 H new ATOM 0 HA GLU A 39 37.339 15.142 18.271 1.00 0.00 H new ATOM 273 N ALA A 40 35.901 17.581 20.001 1.00 0.00 N ATOM 274 CA ALA A 40 34.989 17.875 21.084 1.00 0.00 C ATOM 275 C ALA A 40 33.730 17.036 20.930 1.00 0.00 C ATOM 276 O ALA A 40 33.224 16.501 21.911 1.00 0.00 O ATOM 277 CB ALA A 40 34.653 19.363 21.074 1.00 0.00 C ATOM 0 H ALA A 40 36.193 18.401 19.468 1.00 0.00 H new ATOM 0 HA ALA A 40 35.454 17.629 22.039 1.00 0.00 H new ATOM 0 HB1 ALA A 40 33.966 19.586 21.890 1.00 0.00 H new ATOM 0 HB2 ALA A 40 35.567 19.943 21.201 1.00 0.00 H new ATOM 0 HB3 ALA A 40 34.186 19.624 20.124 1.00 0.00 H new ATOM 280 N ALA A 41 33.221 16.913 19.701 1.00 0.00 N ATOM 281 CA ALA A 41 32.027 16.131 19.445 1.00 0.00 C ATOM 282 C ALA A 41 32.232 14.702 19.930 1.00 0.00 C ATOM 283 O ALA A 41 31.421 14.172 20.692 1.00 0.00 O ATOM 284 CB ALA A 41 31.715 16.155 17.951 1.00 0.00 C ATOM 0 H ALA A 41 33.624 17.349 18.872 1.00 0.00 H new ATOM 0 HA ALA A 41 31.184 16.560 19.986 1.00 0.00 H new ATOM 0 HB1 ALA A 41 30.818 15.567 17.757 1.00 0.00 H new ATOM 0 HB2 ALA A 41 31.552 17.184 17.630 1.00 0.00 H new ATOM 0 HB3 ALA A 41 32.553 15.731 17.397 1.00 0.00 H new ATOM 287 N LYS A 42 33.335 14.077 19.507 1.00 0.00 N ATOM 288 CA LYS A 42 33.623 12.720 19.923 1.00 0.00 C ATOM 289 C LYS A 42 33.760 12.739 21.438 1.00 0.00 C ATOM 290 O LYS A 42 33.322 11.818 22.129 1.00 0.00 O ATOM 291 CB LYS A 42 34.913 12.243 19.262 1.00 0.00 C ATOM 0 H LYS A 42 34.029 14.491 18.885 1.00 0.00 H new ATOM 0 HA LYS A 42 32.830 12.034 19.626 1.00 0.00 H new ATOM 294 N LEU A 43 34.353 13.825 21.940 1.00 0.00 N ATOM 295 CA LEU A 43 34.554 14.018 23.358 1.00 0.00 C ATOM 296 C LEU A 43 33.226 13.855 24.071 1.00 0.00 C ATOM 297 O LEU A 43 33.064 12.899 24.822 1.00 0.00 O ATOM 298 CB LEU A 43 35.151 15.399 23.614 1.00 0.00 C ATOM 0 H LEU A 43 34.704 14.590 21.364 1.00 0.00 H new ATOM 0 HA LEU A 43 35.253 13.275 23.742 1.00 0.00 H new ATOM 301 N GLU A 44 32.283 14.773 23.830 1.00 0.00 N ATOM 302 CA GLU A 44 30.964 14.754 24.432 1.00 0.00 C ATOM 303 C GLU A 44 30.321 13.377 24.414 1.00 0.00 C ATOM 304 O GLU A 44 29.734 12.976 25.416 1.00 0.00 O ATOM 305 CB GLU A 44 30.075 15.762 23.710 1.00 0.00 C ATOM 0 H GLU A 44 32.427 15.560 23.198 1.00 0.00 H new ATOM 0 HA GLU A 44 31.076 15.025 25.482 1.00 0.00 H new ATOM 308 N LYS A 45 30.411 12.643 23.299 1.00 0.00 N ATOM 309 CA LYS A 45 29.822 11.317 23.229 1.00 0.00 C ATOM 310 C LYS A 45 30.431 10.459 24.330 1.00 0.00 C ATOM 311 O LYS A 45 29.743 9.664 24.966 1.00 0.00 O ATOM 312 CB LYS A 45 30.092 10.712 21.855 1.00 0.00 C ATOM 0 H LYS A 45 30.882 12.947 22.447 1.00 0.00 H new ATOM 0 HA LYS A 45 28.743 11.369 23.371 1.00 0.00 H new ATOM 315 N ILE A 46 31.732 10.648 24.554 1.00 0.00 N ATOM 316 CA ILE A 46 32.431 9.917 25.596 1.00 0.00 C ATOM 317 C ILE A 46 32.007 10.460 26.960 1.00 0.00 C ATOM 318 O ILE A 46 31.786 9.702 27.903 1.00 0.00 O ATOM 319 CB ILE A 46 33.937 10.066 25.398 1.00 0.00 C ATOM 0 H ILE A 46 32.315 11.299 24.028 1.00 0.00 H new ATOM 0 HA ILE A 46 32.179 8.858 25.546 1.00 0.00 H new ATOM 322 N LEU A 47 31.893 11.786 27.038 1.00 0.00 N ATOM 323 CA LEU A 47 31.518 12.481 28.254 1.00 0.00 C ATOM 324 C LEU A 47 30.198 11.977 28.820 1.00 0.00 C ATOM 325 O LEU A 47 30.095 11.740 30.021 1.00 0.00 O ATOM 326 CB LEU A 47 31.438 13.978 27.970 1.00 0.00 C ATOM 0 H LEU A 47 32.062 12.407 26.247 1.00 0.00 H new ATOM 0 HA LEU A 47 32.281 12.284 29.007 1.00 0.00 H new ATOM 329 N ALA A 48 29.182 11.814 27.967 1.00 0.00 N ATOM 330 CA ALA A 48 27.878 11.366 28.415 1.00 0.00 C ATOM 331 C ALA A 48 27.955 9.923 28.892 1.00 0.00 C ATOM 332 O ALA A 48 28.267 9.693 30.059 1.00 0.00 O ATOM 333 CB ALA A 48 26.865 11.525 27.285 1.00 0.00 C ATOM 0 H ALA A 48 29.247 11.988 26.964 1.00 0.00 H new ATOM 0 HA ALA A 48 27.551 11.977 29.256 1.00 0.00 H new ATOM 0 HB1 ALA A 48 25.886 11.188 27.624 1.00 0.00 H new ATOM 0 HB2 ALA A 48 26.807 12.574 26.994 1.00 0.00 H new ATOM 0 HB3 ALA A 48 27.178 10.927 26.429 1.00 0.00 H new ATOM 336 N THR A 49 27.644 8.981 27.991 1.00 0.00 N ATOM 337 CA THR A 49 27.663 7.553 28.280 1.00 0.00 C ATOM 338 C THR A 49 28.833 7.149 29.169 1.00 0.00 C ATOM 339 O THR A 49 29.868 7.812 29.196 1.00 0.00 O ATOM 340 CB THR A 49 27.705 6.778 26.967 1.00 0.00 C ATOM 0 H THR A 49 27.370 9.198 27.033 1.00 0.00 H new ATOM 0 HA THR A 49 26.755 7.313 28.833 1.00 0.00 H new ATOM 343 N ASP A 50 28.642 6.059 29.915 1.00 0.00 N ATOM 344 CA ASP A 50 29.630 5.592 30.865 1.00 0.00 C ATOM 345 C ASP A 50 30.888 5.127 30.154 1.00 0.00 C ATOM 346 O ASP A 50 30.809 4.466 29.121 1.00 0.00 O ATOM 347 CB ASP A 50 29.035 4.466 31.705 1.00 0.00 C ATOM 0 H ASP A 50 27.800 5.484 29.872 1.00 0.00 H new ATOM 0 HA ASP A 50 29.908 6.417 31.521 1.00 0.00 H new ATOM 350 N VAL A 51 32.053 5.474 30.706 1.00 0.00 N ATOM 351 CA VAL A 51 33.320 5.076 30.137 1.00 0.00 C ATOM 352 C VAL A 51 33.473 3.575 30.328 1.00 0.00 C ATOM 353 O VAL A 51 33.693 2.845 29.363 1.00 0.00 O ATOM 354 CB VAL A 51 34.449 5.828 30.837 1.00 0.00 C ATOM 0 H VAL A 51 32.133 6.035 31.554 1.00 0.00 H new ATOM 0 HA VAL A 51 33.360 5.314 29.074 1.00 0.00 H new ATOM 357 N ALA A 52 33.331 3.134 31.583 1.00 0.00 N ATOM 358 CA ALA A 52 33.427 1.736 31.964 1.00 0.00 C ATOM 359 C ALA A 52 34.600 1.035 31.296 1.00 0.00 C ATOM 360 O ALA A 52 35.590 1.670 30.937 1.00 0.00 O ATOM 361 CB ALA A 52 32.118 1.031 31.621 1.00 0.00 C ATOM 0 H ALA A 52 33.143 3.756 32.370 1.00 0.00 H new ATOM 0 HA ALA A 52 33.604 1.690 33.038 1.00 0.00 H new ATOM 0 HB1 ALA A 52 32.185 -0.019 31.905 1.00 0.00 H new ATOM 0 HB2 ALA A 52 31.298 1.502 32.163 1.00 0.00 H new ATOM 0 HB3 ALA A 52 31.934 1.106 30.549 1.00 0.00 H new ATOM 364 N PRO A 53 34.473 -0.283 31.125 1.00 0.00 N ATOM 365 CA PRO A 53 35.499 -1.092 30.502 1.00 0.00 C ATOM 366 C PRO A 53 34.974 -2.509 30.313 1.00 0.00 C ATOM 367 O PRO A 53 33.936 -2.706 29.684 1.00 0.00 O ATOM 368 CB PRO A 53 35.897 -0.473 29.165 1.00 0.00 C ATOM 0 HA PRO A 53 36.384 -1.130 31.138 1.00 0.00 H new ATOM 370 N LEU A 54 35.694 -3.485 30.872 1.00 0.00 N ATOM 371 CA LEU A 54 35.327 -4.887 30.789 1.00 0.00 C ATOM 372 C LEU A 54 34.346 -5.269 31.894 1.00 0.00 C ATOM 373 O LEU A 54 34.541 -4.927 33.058 1.00 0.00 O ATOM 374 CB LEU A 54 36.590 -5.739 30.887 1.00 0.00 C ATOM 0 H LEU A 54 36.552 -3.316 31.397 1.00 0.00 H new ATOM 0 HA LEU A 54 34.833 -5.065 29.834 1.00 0.00 H new ATOM 377 N PHE A 55 33.288 -5.984 31.504 1.00 0.00 N ATOM 378 CA PHE A 55 32.268 -6.447 32.430 1.00 0.00 C ATOM 379 C PHE A 55 31.433 -5.274 32.925 1.00 0.00 C ATOM 380 O PHE A 55 31.751 -4.124 32.631 1.00 0.00 O ATOM 381 CB PHE A 55 32.937 -7.160 33.601 1.00 0.00 C ATOM 0 H PHE A 55 33.120 -6.255 30.535 1.00 0.00 H new ATOM 0 HA PHE A 55 31.604 -7.144 31.919 1.00 0.00 H new ATOM 384 N PRO A 56 30.362 -5.570 33.671 1.00 0.00 N ATOM 385 CA PRO A 56 29.507 -4.540 34.231 1.00 0.00 C ATOM 386 C PRO A 56 30.397 -3.626 35.054 1.00 0.00 C ATOM 387 O PRO A 56 30.291 -2.404 34.985 1.00 0.00 O ATOM 388 CB PRO A 56 28.811 -3.774 33.109 1.00 0.00 C ATOM 0 HA PRO A 56 28.726 -4.968 34.859 1.00 0.00 H new ATOM 390 N ALA A 57 31.297 -4.248 35.816 1.00 0.00 N ATOM 391 CA ALA A 57 32.297 -3.614 36.643 1.00 0.00 C ATOM 392 C ALA A 57 33.195 -4.816 36.892 1.00 0.00 C ATOM 393 O ALA A 57 32.894 -5.878 36.351 1.00 0.00 O ATOM 394 CB ALA A 57 31.676 -3.076 37.929 1.00 0.00 C ATOM 0 H ALA A 57 31.341 -5.266 35.868 1.00 0.00 H new ATOM 0 HA ALA A 57 32.800 -2.747 36.214 1.00 0.00 H new ATOM 0 HB1 ALA A 57 32.448 -2.603 38.536 1.00 0.00 H new ATOM 0 HB2 ALA A 57 30.908 -2.343 37.683 1.00 0.00 H new ATOM 0 HB3 ALA A 57 31.228 -3.897 38.488 1.00 0.00 H new ATOM 397 N GLY A 58 34.276 -4.740 37.670 1.00 0.00 N ATOM 398 CA GLY A 58 35.103 -5.910 37.888 1.00 0.00 C ATOM 399 C GLY A 58 35.789 -6.324 36.592 1.00 0.00 C ATOM 400 O GLY A 58 35.499 -5.771 35.533 1.00 0.00 O ATOM 0 H GLY A 58 34.589 -3.895 38.148 1.00 0.00 H new ATOM 0 HA2 GLY A 58 35.851 -5.697 38.651 1.00 0.00 H new ATOM 0 HA3 GLY A 58 34.491 -6.731 38.262 1.00 0.00 H new ATOM 404 N THR A 59 36.695 -7.302 36.688 1.00 0.00 N ATOM 405 CA THR A 59 37.440 -7.795 35.543 1.00 0.00 C ATOM 406 C THR A 59 38.548 -8.719 36.037 1.00 0.00 C ATOM 407 O THR A 59 38.332 -9.505 36.957 1.00 0.00 O ATOM 408 CB THR A 59 38.026 -6.618 34.767 1.00 0.00 C ATOM 0 H THR A 59 36.927 -7.769 37.565 1.00 0.00 H new ATOM 0 HA THR A 59 36.781 -8.352 34.877 1.00 0.00 H new ATOM 411 N SER A 60 39.736 -8.617 35.433 1.00 0.00 N ATOM 412 CA SER A 60 40.871 -9.430 35.823 1.00 0.00 C ATOM 413 C SER A 60 41.139 -9.279 37.314 1.00 0.00 C ATOM 414 O SER A 60 41.414 -10.267 37.992 1.00 0.00 O ATOM 415 CB SER A 60 42.094 -9.022 35.008 1.00 0.00 C ATOM 0 H SER A 60 39.928 -7.971 34.667 1.00 0.00 H new ATOM 0 HA SER A 60 40.651 -10.479 35.624 1.00 0.00 H new ATOM 418 N SER A 61 41.058 -8.044 37.820 1.00 0.00 N ATOM 419 CA SER A 61 41.276 -7.766 39.227 1.00 0.00 C ATOM 420 C SER A 61 42.756 -7.869 39.571 1.00 0.00 C ATOM 421 O SER A 61 43.340 -6.918 40.086 1.00 0.00 O ATOM 422 CB SER A 61 40.447 -8.719 40.084 1.00 0.00 C ATOM 0 H SER A 61 40.840 -7.219 37.262 1.00 0.00 H new ATOM 0 HA SER A 61 40.955 -6.746 39.438 1.00 0.00 H new ATOM 425 N THR A 62 43.366 -9.022 39.286 1.00 0.00 N ATOM 426 CA THR A 62 44.770 -9.231 39.579 1.00 0.00 C ATOM 427 C THR A 62 45.283 -10.477 38.871 1.00 0.00 C ATOM 428 O THR A 62 44.956 -11.593 39.270 1.00 0.00 O ATOM 429 CB THR A 62 44.957 -9.356 41.088 1.00 0.00 C ATOM 0 H THR A 62 42.902 -9.820 38.853 1.00 0.00 H new ATOM 0 HA THR A 62 45.344 -8.378 39.216 1.00 0.00 H new ATOM 432 N ASP A 63 46.090 -10.278 37.825 1.00 0.00 N ATOM 433 CA ASP A 63 46.665 -11.370 37.062 1.00 0.00 C ATOM 434 C ASP A 63 47.946 -10.895 36.392 1.00 0.00 C ATOM 435 O ASP A 63 48.249 -9.704 36.402 1.00 0.00 O ATOM 436 CB ASP A 63 45.655 -11.855 36.025 1.00 0.00 C ATOM 0 H ASP A 63 46.358 -9.353 37.490 1.00 0.00 H new ATOM 0 HA ASP A 63 46.906 -12.202 37.723 1.00 0.00 H new ATOM 439 N LEU A 64 48.704 -11.831 35.814 1.00 0.00 N ATOM 440 CA LEU A 64 49.953 -11.507 35.153 1.00 0.00 C ATOM 441 C LEU A 64 49.715 -10.534 34.007 1.00 0.00 C ATOM 442 O LEU A 64 48.574 -10.189 33.706 1.00 0.00 O ATOM 443 CB LEU A 64 50.604 -12.790 34.645 1.00 0.00 C ATOM 0 H LEU A 64 48.465 -12.822 35.795 1.00 0.00 H new ATOM 0 HA LEU A 64 50.622 -11.026 35.866 1.00 0.00 H new ATOM 446 N PRO A 65 50.802 -10.093 33.369 1.00 0.00 N ATOM 447 CA PRO A 65 50.729 -9.165 32.258 1.00 0.00 C ATOM 448 C PRO A 65 52.139 -8.795 31.822 1.00 0.00 C ATOM 449 O PRO A 65 53.040 -8.725 32.655 1.00 0.00 O ATOM 450 CB PRO A 65 49.958 -9.810 31.110 1.00 0.00 C ATOM 0 HA PRO A 65 50.207 -8.257 32.560 1.00 0.00 H new ATOM 452 N GLY A 66 52.322 -8.565 30.516 1.00 0.00 N ATOM 453 CA GLY A 66 53.613 -8.216 29.949 1.00 0.00 C ATOM 454 C GLY A 66 53.784 -6.704 29.891 1.00 0.00 C ATOM 455 O GLY A 66 53.848 -6.130 28.807 1.00 0.00 O ATOM 0 H GLY A 66 51.571 -8.618 29.828 1.00 0.00 H new ATOM 0 HA2 GLY A 66 54.410 -8.654 30.550 1.00 0.00 H new ATOM 0 HA3 GLY A 66 53.701 -8.636 28.947 1.00 0.00 H new ATOM 459 N GLN A 67 53.865 -6.059 31.058 1.00 0.00 N ATOM 460 CA GLN A 67 54.035 -4.621 31.122 1.00 0.00 C ATOM 461 C GLN A 67 52.913 -3.936 30.353 1.00 0.00 C ATOM 462 O GLN A 67 51.909 -4.569 30.037 1.00 0.00 O ATOM 463 CB GLN A 67 55.394 -4.246 30.539 1.00 0.00 C ATOM 0 H GLN A 67 53.815 -6.518 31.967 1.00 0.00 H new ATOM 0 HA GLN A 67 53.994 -4.291 32.160 1.00 0.00 H new ATOM 466 N THR A 68 53.092 -2.640 30.073 1.00 0.00 N ATOM 467 CA THR A 68 52.133 -1.825 29.345 1.00 0.00 C ATOM 468 C THR A 68 51.569 -2.528 28.114 1.00 0.00 C ATOM 469 O THR A 68 52.114 -3.531 27.660 1.00 0.00 O ATOM 470 CB THR A 68 52.813 -0.523 28.930 1.00 0.00 C ATOM 0 H THR A 68 53.926 -2.125 30.355 1.00 0.00 H new ATOM 0 HA THR A 68 51.290 -1.632 30.008 1.00 0.00 H new ATOM 473 N GLU A 69 50.475 -1.975 27.578 1.00 0.00 N ATOM 474 CA GLU A 69 49.806 -2.510 26.405 1.00 0.00 C ATOM 475 C GLU A 69 48.969 -3.725 26.783 1.00 0.00 C ATOM 476 O GLU A 69 49.085 -4.778 26.161 1.00 0.00 O ATOM 477 CB GLU A 69 50.820 -2.847 25.314 1.00 0.00 C ATOM 0 H GLU A 69 50.032 -1.137 27.955 1.00 0.00 H new ATOM 0 HA GLU A 69 49.134 -1.750 26.006 1.00 0.00 H new ATOM 480 N ALA A 70 48.121 -3.565 27.804 1.00 0.00 N ATOM 481 CA ALA A 70 47.254 -4.630 28.272 1.00 0.00 C ATOM 482 C ALA A 70 46.577 -4.191 29.563 1.00 0.00 C ATOM 483 O ALA A 70 45.432 -3.743 29.547 1.00 0.00 O ATOM 484 CB ALA A 70 48.069 -5.900 28.502 1.00 0.00 C ATOM 0 H ALA A 70 48.023 -2.692 28.323 1.00 0.00 H new ATOM 0 HA ALA A 70 46.492 -4.841 27.522 1.00 0.00 H new ATOM 0 HB1 ALA A 70 47.412 -6.695 28.853 1.00 0.00 H new ATOM 0 HB2 ALA A 70 48.540 -6.205 27.567 1.00 0.00 H new ATOM 0 HB3 ALA A 70 48.838 -5.708 29.250 1.00 0.00 H new ATOM 487 N LYS A 71 47.294 -4.328 30.681 1.00 0.00 N ATOM 488 CA LYS A 71 46.790 -3.944 31.984 1.00 0.00 C ATOM 489 C LYS A 71 45.431 -4.573 32.262 1.00 0.00 C ATOM 490 O LYS A 71 44.557 -3.927 32.836 1.00 0.00 O ATOM 491 CB LYS A 71 46.702 -2.422 32.066 1.00 0.00 C ATOM 0 H LYS A 71 48.240 -4.709 30.699 1.00 0.00 H new ATOM 0 HA LYS A 71 47.480 -4.310 32.744 1.00 0.00 H new ATOM 494 N ALA A 72 45.247 -5.830 31.853 1.00 0.00 N ATOM 495 CA ALA A 72 43.999 -6.525 32.093 1.00 0.00 C ATOM 496 C ALA A 72 43.805 -6.629 33.599 1.00 0.00 C ATOM 497 O ALA A 72 42.701 -6.448 34.107 1.00 0.00 O ATOM 498 CB ALA A 72 44.063 -7.913 31.461 1.00 0.00 C ATOM 0 H ALA A 72 45.949 -6.379 31.356 1.00 0.00 H new ATOM 0 HA ALA A 72 43.161 -5.987 31.650 1.00 0.00 H new ATOM 0 HB1 ALA A 72 43.125 -8.438 31.640 1.00 0.00 H new ATOM 0 HB2 ALA A 72 44.226 -7.817 30.387 1.00 0.00 H new ATOM 0 HB3 ALA A 72 44.884 -8.477 31.903 1.00 0.00 H new ATOM 501 N ALA A 73 44.910 -6.911 34.293 1.00 0.00 N ATOM 502 CA ALA A 73 44.931 -7.077 35.734 1.00 0.00 C ATOM 503 C ALA A 73 44.146 -6.016 36.498 1.00 0.00 C ATOM 504 O ALA A 73 43.162 -6.364 37.146 1.00 0.00 O ATOM 505 CB ALA A 73 46.381 -7.105 36.210 1.00 0.00 C ATOM 0 H ALA A 73 45.824 -7.031 33.856 1.00 0.00 H new ATOM 0 HA ALA A 73 44.430 -8.021 35.949 1.00 0.00 H new ATOM 0 HB1 ALA A 73 46.406 -7.230 37.293 1.00 0.00 H new ATOM 0 HB2 ALA A 73 46.903 -7.937 35.737 1.00 0.00 H new ATOM 0 HB3 ALA A 73 46.870 -6.169 35.941 1.00 0.00 H new ATOM 508 N ILE A 74 44.583 -4.751 36.397 1.00 0.00 N ATOM 509 CA ILE A 74 43.981 -3.638 37.124 1.00 0.00 C ATOM 510 C ILE A 74 45.007 -2.537 37.362 1.00 0.00 C ATOM 511 O ILE A 74 45.983 -2.421 36.625 1.00 0.00 O ATOM 512 CB ILE A 74 43.461 -4.085 38.490 1.00 0.00 C ATOM 0 H ILE A 74 45.367 -4.477 35.805 1.00 0.00 H new ATOM 0 HA ILE A 74 43.156 -3.270 36.514 1.00 0.00 H new ATOM 515 N TRP A 75 44.763 -1.751 38.417 1.00 0.00 N ATOM 516 CA TRP A 75 45.622 -0.662 38.840 1.00 0.00 C ATOM 517 C TRP A 75 45.627 -0.692 40.361 1.00 0.00 C ATOM 518 O TRP A 75 45.716 -1.768 40.948 1.00 0.00 O ATOM 519 CB TRP A 75 45.069 0.662 38.319 1.00 0.00 C ATOM 0 H TRP A 75 43.940 -1.865 39.008 1.00 0.00 H new ATOM 0 HA TRP A 75 46.634 -0.765 38.450 1.00 0.00 H new ATOM 522 N ALA A 76 45.513 0.467 41.014 1.00 0.00 N ATOM 523 CA ALA A 76 45.485 0.510 42.461 1.00 0.00 C ATOM 524 C ALA A 76 44.317 -0.326 42.962 1.00 0.00 C ATOM 525 O ALA A 76 44.517 -1.328 43.646 1.00 0.00 O ATOM 526 CB ALA A 76 45.360 1.958 42.927 1.00 0.00 C ATOM 0 H ALA A 76 45.440 1.377 40.559 1.00 0.00 H new ATOM 0 HA ALA A 76 46.409 0.099 42.867 1.00 0.00 H new ATOM 0 HB1 ALA A 76 45.339 1.989 44.016 1.00 0.00 H new ATOM 0 HB2 ALA A 76 46.213 2.532 42.564 1.00 0.00 H new ATOM 0 HB3 ALA A 76 44.439 2.388 42.534 1.00 0.00 H new ATOM 529 N ASN A 77 43.095 0.087 42.619 1.00 0.00 N ATOM 530 CA ASN A 77 41.902 -0.626 43.028 1.00 0.00 C ATOM 531 C ASN A 77 40.699 -0.064 42.286 1.00 0.00 C ATOM 532 O ASN A 77 40.793 1.009 41.697 1.00 0.00 O ATOM 533 CB ASN A 77 41.720 -0.495 44.537 1.00 0.00 C ATOM 0 H ASN A 77 42.914 0.918 42.055 1.00 0.00 H new ATOM 0 HA ASN A 77 41.999 -1.684 42.783 1.00 0.00 H new ATOM 536 N MET A 78 39.589 -0.811 42.306 1.00 0.00 N ATOM 537 CA MET A 78 38.355 -0.416 41.647 1.00 0.00 C ATOM 538 C MET A 78 38.018 1.046 41.917 1.00 0.00 C ATOM 539 O MET A 78 37.504 1.738 41.041 1.00 0.00 O ATOM 540 CB MET A 78 37.222 -1.321 42.123 1.00 0.00 C ATOM 0 H MET A 78 39.529 -1.710 42.784 1.00 0.00 H new ATOM 0 HA MET A 78 38.486 -0.524 40.570 1.00 0.00 H new ATOM 543 N ASP A 79 38.323 1.518 43.127 1.00 0.00 N ATOM 544 CA ASP A 79 38.058 2.895 43.498 1.00 0.00 C ATOM 545 C ASP A 79 38.938 3.830 42.679 1.00 0.00 C ATOM 546 O ASP A 79 38.434 4.723 42.001 1.00 0.00 O ATOM 547 CB ASP A 79 38.313 3.078 44.991 1.00 0.00 C ATOM 0 H ASP A 79 38.755 0.959 43.863 1.00 0.00 H new ATOM 0 HA ASP A 79 37.016 3.137 43.290 1.00 0.00 H new ATOM 550 N ASP A 80 40.255 3.620 42.750 1.00 0.00 N ATOM 551 CA ASP A 80 41.204 4.436 42.015 1.00 0.00 C ATOM 552 C ASP A 80 40.839 4.429 40.538 1.00 0.00 C ATOM 553 O ASP A 80 40.789 5.479 39.899 1.00 0.00 O ATOM 554 CB ASP A 80 42.615 3.895 42.230 1.00 0.00 C ATOM 0 H ASP A 80 40.683 2.886 43.314 1.00 0.00 H new ATOM 0 HA ASP A 80 41.170 5.464 42.376 1.00 0.00 H new ATOM 557 N PHE A 81 40.577 3.234 40.006 1.00 0.00 N ATOM 558 CA PHE A 81 40.196 3.079 38.619 1.00 0.00 C ATOM 559 C PHE A 81 38.974 3.944 38.356 1.00 0.00 C ATOM 560 O PHE A 81 38.943 4.691 37.379 1.00 0.00 O ATOM 561 CB PHE A 81 39.902 1.610 38.328 1.00 0.00 C ATOM 0 H PHE A 81 40.625 2.359 40.527 1.00 0.00 H new ATOM 0 HA PHE A 81 41.006 3.395 37.962 1.00 0.00 H new ATOM 564 N GLY A 82 37.973 3.846 39.236 1.00 0.00 N ATOM 565 CA GLY A 82 36.765 4.634 39.118 1.00 0.00 C ATOM 566 C GLY A 82 37.139 6.105 39.031 1.00 0.00 C ATOM 567 O GLY A 82 36.540 6.852 38.259 1.00 0.00 O ATOM 0 H GLY A 82 37.986 3.220 40.041 1.00 0.00 H new ATOM 0 HA2 GLY A 82 36.206 4.335 38.232 1.00 0.00 H new ATOM 0 HA3 GLY A 82 36.117 4.461 39.977 1.00 0.00 H new ATOM 571 N ALA A 83 38.139 6.516 39.817 1.00 0.00 N ATOM 572 CA ALA A 83 38.606 7.888 39.817 1.00 0.00 C ATOM 573 C ALA A 83 38.953 8.323 38.400 1.00 0.00 C ATOM 574 O ALA A 83 38.292 9.209 37.864 1.00 0.00 O ATOM 575 CB ALA A 83 39.821 8.009 40.732 1.00 0.00 C ATOM 0 H ALA A 83 38.638 5.905 40.463 1.00 0.00 H new ATOM 0 HA ALA A 83 37.817 8.542 40.189 1.00 0.00 H new ATOM 0 HB1 ALA A 83 40.174 9.040 40.734 1.00 0.00 H new ATOM 0 HB2 ALA A 83 39.544 7.719 41.745 1.00 0.00 H new ATOM 0 HB3 ALA A 83 40.615 7.354 40.372 1.00 0.00 H new ATOM 578 N LYS A 84 39.994 7.710 37.822 1.00 0.00 N ATOM 579 CA LYS A 84 40.444 8.019 36.467 1.00 0.00 C ATOM 580 C LYS A 84 39.260 8.110 35.513 1.00 0.00 C ATOM 581 O LYS A 84 39.256 8.917 34.588 1.00 0.00 O ATOM 582 CB LYS A 84 41.428 6.949 36.005 1.00 0.00 C ATOM 0 H LYS A 84 40.545 6.987 38.284 1.00 0.00 H new ATOM 0 HA LYS A 84 40.944 8.988 36.469 1.00 0.00 H new ATOM 585 N GLY A 85 38.276 7.252 35.770 1.00 0.00 N ATOM 586 CA GLY A 85 37.050 7.238 34.994 1.00 0.00 C ATOM 587 C GLY A 85 36.496 8.656 34.999 1.00 0.00 C ATOM 588 O GLY A 85 36.501 9.336 33.975 1.00 0.00 O ATOM 0 H GLY A 85 38.309 6.556 36.515 1.00 0.00 H new ATOM 0 HA2 GLY A 85 37.244 6.905 33.975 1.00 0.00 H new ATOM 0 HA3 GLY A 85 36.330 6.542 35.425 1.00 0.00 H new ATOM 592 N LYS A 86 36.028 9.078 36.175 1.00 0.00 N ATOM 593 CA LYS A 86 35.510 10.419 36.371 1.00 0.00 C ATOM 594 C LYS A 86 36.471 11.465 35.806 1.00 0.00 C ATOM 595 O LYS A 86 36.039 12.386 35.118 1.00 0.00 O ATOM 596 CB LYS A 86 35.276 10.656 37.860 1.00 0.00 C ATOM 0 H LYS A 86 36.000 8.496 37.012 1.00 0.00 H new ATOM 0 HA LYS A 86 34.565 10.515 35.836 1.00 0.00 H new ATOM 599 N ALA A 87 37.769 11.317 36.100 1.00 0.00 N ATOM 600 CA ALA A 87 38.783 12.254 35.641 1.00 0.00 C ATOM 601 C ALA A 87 38.684 12.467 34.136 1.00 0.00 C ATOM 602 O ALA A 87 38.603 13.602 33.665 1.00 0.00 O ATOM 603 CB ALA A 87 40.164 11.728 36.020 1.00 0.00 C ATOM 0 H ALA A 87 38.137 10.547 36.659 1.00 0.00 H new ATOM 0 HA ALA A 87 38.620 13.218 36.123 1.00 0.00 H new ATOM 0 HB1 ALA A 87 40.926 12.428 35.678 1.00 0.00 H new ATOM 0 HB2 ALA A 87 40.229 11.622 37.103 1.00 0.00 H new ATOM 0 HB3 ALA A 87 40.325 10.758 35.551 1.00 0.00 H new ATOM 606 N MET A 88 38.688 11.361 33.391 1.00 0.00 N ATOM 607 CA MET A 88 38.583 11.403 31.949 1.00 0.00 C ATOM 608 C MET A 88 37.316 12.167 31.609 1.00 0.00 C ATOM 609 O MET A 88 37.299 12.946 30.662 1.00 0.00 O ATOM 610 CB MET A 88 38.533 9.982 31.397 1.00 0.00 C ATOM 0 H MET A 88 38.764 10.420 33.777 1.00 0.00 H new ATOM 0 HA MET A 88 39.445 11.899 31.503 1.00 0.00 H new ATOM 613 N HIS A 89 36.265 11.941 32.401 1.00 0.00 N ATOM 614 CA HIS A 89 35.000 12.636 32.223 1.00 0.00 C ATOM 615 C HIS A 89 35.196 14.142 32.396 1.00 0.00 C ATOM 616 O HIS A 89 34.629 14.928 31.641 1.00 0.00 O ATOM 617 CB HIS A 89 33.985 12.104 33.231 1.00 0.00 C ATOM 0 H HIS A 89 36.272 11.277 33.175 1.00 0.00 H new ATOM 0 HA HIS A 89 34.625 12.457 31.215 1.00 0.00 H new ATOM 620 N GLU A 90 35.978 14.521 33.413 1.00 0.00 N ATOM 621 CA GLU A 90 36.276 15.928 33.670 1.00 0.00 C ATOM 622 C GLU A 90 36.754 16.586 32.374 1.00 0.00 C ATOM 623 O GLU A 90 36.348 17.693 32.027 1.00 0.00 O ATOM 624 CB GLU A 90 37.343 16.030 34.757 1.00 0.00 C ATOM 0 H GLU A 90 36.414 13.872 34.068 1.00 0.00 H new ATOM 0 HA GLU A 90 35.381 16.445 34.015 1.00 0.00 H new ATOM 627 N ALA A 91 37.611 15.851 31.669 1.00 0.00 N ATOM 628 CA ALA A 91 38.132 16.306 30.381 1.00 0.00 C ATOM 629 C ALA A 91 37.041 16.179 29.308 1.00 0.00 C ATOM 630 O ALA A 91 36.916 17.010 28.411 1.00 0.00 O ATOM 631 CB ALA A 91 39.356 15.476 30.013 1.00 0.00 C ATOM 0 H ALA A 91 37.959 14.940 31.967 1.00 0.00 H new ATOM 0 HA ALA A 91 38.426 17.353 30.447 1.00 0.00 H new ATOM 0 HB1 ALA A 91 39.748 15.812 29.053 1.00 0.00 H new ATOM 0 HB2 ALA A 91 40.121 15.597 30.780 1.00 0.00 H new ATOM 0 HB3 ALA A 91 39.075 14.425 29.943 1.00 0.00 H new ATOM 634 N GLY A 92 36.260 15.112 29.454 1.00 0.00 N ATOM 635 CA GLY A 92 35.164 14.802 28.559 1.00 0.00 C ATOM 636 C GLY A 92 34.235 16.004 28.434 1.00 0.00 C ATOM 637 O GLY A 92 34.108 16.589 27.360 1.00 0.00 O ATOM 0 H GLY A 92 36.377 14.435 30.208 1.00 0.00 H new ATOM 0 HA2 GLY A 92 35.552 14.528 27.578 1.00 0.00 H new ATOM 0 HA3 GLY A 92 34.610 13.942 28.934 1.00 0.00 H new ATOM 641 N GLY A 93 33.586 16.374 29.541 1.00 0.00 N ATOM 642 CA GLY A 93 32.668 17.493 29.566 1.00 0.00 C ATOM 643 C GLY A 93 33.413 18.798 29.334 1.00 0.00 C ATOM 644 O GLY A 93 32.906 19.685 28.652 1.00 0.00 O ATOM 0 H GLY A 93 33.688 15.901 30.439 1.00 0.00 H new ATOM 0 HA2 GLY A 93 31.905 17.362 28.799 1.00 0.00 H new ATOM 0 HA3 GLY A 93 32.153 17.527 30.526 1.00 0.00 H new ATOM 648 N ALA A 94 34.621 18.920 29.893 1.00 0.00 N ATOM 649 CA ALA A 94 35.421 20.117 29.738 1.00 0.00 C ATOM 650 C ALA A 94 35.662 20.394 28.261 1.00 0.00 C ATOM 651 O ALA A 94 35.634 21.547 27.836 1.00 0.00 O ATOM 652 CB ALA A 94 36.744 19.939 30.476 1.00 0.00 C ATOM 0 H ALA A 94 35.060 18.193 30.459 1.00 0.00 H new ATOM 0 HA ALA A 94 34.891 20.969 30.163 1.00 0.00 H new ATOM 0 HB1 ALA A 94 37.349 20.839 30.361 1.00 0.00 H new ATOM 0 HB2 ALA A 94 36.550 19.765 31.534 1.00 0.00 H new ATOM 0 HB3 ALA A 94 37.280 19.086 30.061 1.00 0.00 H new ATOM 655 N VAL A 95 35.891 19.340 27.472 1.00 0.00 N ATOM 656 CA VAL A 95 36.128 19.484 26.050 1.00 0.00 C ATOM 657 C VAL A 95 34.835 19.919 25.378 1.00 0.00 C ATOM 658 O VAL A 95 34.847 20.788 24.511 1.00 0.00 O ATOM 659 CB VAL A 95 36.616 18.156 25.479 1.00 0.00 C ATOM 0 H VAL A 95 35.915 18.376 27.806 1.00 0.00 H new ATOM 0 HA VAL A 95 36.893 20.238 25.868 1.00 0.00 H new ATOM 662 N ILE A 96 33.720 19.310 25.788 1.00 0.00 N ATOM 663 CA ILE A 96 32.422 19.658 25.242 1.00 0.00 C ATOM 664 C ILE A 96 32.194 21.150 25.452 1.00 0.00 C ATOM 665 O ILE A 96 31.824 21.870 24.525 1.00 0.00 O ATOM 666 CB ILE A 96 31.339 18.838 25.937 1.00 0.00 C ATOM 0 H ILE A 96 33.698 18.576 26.495 1.00 0.00 H new ATOM 0 HA ILE A 96 32.383 19.436 24.176 1.00 0.00 H new ATOM 669 N ALA A 97 32.438 21.608 26.682 1.00 0.00 N ATOM 670 CA ALA A 97 32.284 23.007 27.023 1.00 0.00 C ATOM 671 C ALA A 97 33.153 23.839 26.091 1.00 0.00 C ATOM 672 O ALA A 97 32.700 24.839 25.540 1.00 0.00 O ATOM 673 CB ALA A 97 32.685 23.223 28.479 1.00 0.00 C ATOM 0 H ALA A 97 32.744 21.019 27.456 1.00 0.00 H new ATOM 0 HA ALA A 97 31.245 23.314 26.905 1.00 0.00 H new ATOM 0 HB1 ALA A 97 32.569 24.276 28.736 1.00 0.00 H new ATOM 0 HB2 ALA A 97 32.048 22.620 29.125 1.00 0.00 H new ATOM 0 HB3 ALA A 97 33.725 22.928 28.618 1.00 0.00 H new ATOM 676 N ALA A 98 34.405 23.411 25.909 1.00 0.00 N ATOM 677 CA ALA A 98 35.337 24.104 25.042 1.00 0.00 C ATOM 678 C ALA A 98 34.792 24.134 23.621 1.00 0.00 C ATOM 679 O ALA A 98 34.961 25.127 22.916 1.00 0.00 O ATOM 680 CB ALA A 98 36.688 23.398 25.091 1.00 0.00 C ATOM 0 H ALA A 98 34.790 22.580 26.358 1.00 0.00 H new ATOM 0 HA ALA A 98 35.466 25.132 25.380 1.00 0.00 H new ATOM 0 HB1 ALA A 98 37.393 23.916 24.440 1.00 0.00 H new ATOM 0 HB2 ALA A 98 37.065 23.405 26.114 1.00 0.00 H new ATOM 0 HB3 ALA A 98 36.573 22.368 24.754 1.00 0.00 H new ATOM 683 N ALA A 99 34.140 23.041 23.210 1.00 0.00 N ATOM 684 CA ALA A 99 33.554 22.936 21.887 1.00 0.00 C ATOM 685 C ALA A 99 32.648 24.134 21.660 1.00 0.00 C ATOM 686 O ALA A 99 32.759 24.814 20.642 1.00 0.00 O ATOM 687 CB ALA A 99 32.769 21.632 21.781 1.00 0.00 C ATOM 0 H ALA A 99 34.009 22.212 23.789 1.00 0.00 H new ATOM 0 HA ALA A 99 34.332 22.929 21.124 1.00 0.00 H new ATOM 0 HB1 ALA A 99 32.328 21.552 20.787 1.00 0.00 H new ATOM 0 HB2 ALA A 99 33.439 20.789 21.949 1.00 0.00 H new ATOM 0 HB3 ALA A 99 31.978 21.622 22.531 1.00 0.00 H new ATOM 690 N ASN A 100 31.760 24.395 22.623 1.00 0.00 N ATOM 691 CA ASN A 100 30.867 25.536 22.547 1.00 0.00 C ATOM 692 C ASN A 100 31.699 26.799 22.356 1.00 0.00 C ATOM 693 O ASN A 100 32.904 26.789 22.602 1.00 0.00 O ATOM 694 CB ASN A 100 30.032 25.619 23.822 1.00 0.00 C ATOM 0 H ASN A 100 31.646 23.826 23.462 1.00 0.00 H new ATOM 0 HA ASN A 100 30.186 25.429 21.702 1.00 0.00 H new ATOM 697 N ALA A 101 31.066 27.886 21.910 1.00 0.00 N ATOM 698 CA ALA A 101 31.763 29.135 21.669 1.00 0.00 C ATOM 699 C ALA A 101 32.523 29.582 22.911 1.00 0.00 C ATOM 700 O ALA A 101 32.285 30.682 23.408 1.00 0.00 O ATOM 701 CB ALA A 101 30.757 30.201 21.243 1.00 0.00 C ATOM 0 H ALA A 101 30.066 27.918 21.710 1.00 0.00 H new ATOM 0 HA ALA A 101 32.491 28.986 20.871 1.00 0.00 H new ATOM 0 HB1 ALA A 101 31.278 31.141 21.061 1.00 0.00 H new ATOM 0 HB2 ALA A 101 30.254 29.882 20.330 1.00 0.00 H new ATOM 0 HB3 ALA A 101 30.020 30.342 22.033 1.00 0.00 H new ATOM 704 N GLY A 102 33.436 28.729 23.391 1.00 0.00 N ATOM 705 CA GLY A 102 34.251 29.005 24.564 1.00 0.00 C ATOM 706 C GLY A 102 35.647 29.441 24.137 1.00 0.00 C ATOM 707 O GLY A 102 35.850 30.600 23.781 1.00 0.00 O ATOM 0 H GLY A 102 33.626 27.821 22.967 1.00 0.00 H new ATOM 0 HA2 GLY A 102 33.785 29.786 25.165 1.00 0.00 H new ATOM 0 HA3 GLY A 102 34.315 28.115 25.191 1.00 0.00 H new ATOM 711 N ASP A 103 36.601 28.506 24.192 1.00 0.00 N ATOM 712 CA ASP A 103 37.978 28.780 23.815 1.00 0.00 C ATOM 713 C ASP A 103 38.682 27.509 23.361 1.00 0.00 C ATOM 714 O ASP A 103 38.678 26.501 24.065 1.00 0.00 O ATOM 715 CB ASP A 103 38.710 29.408 24.998 1.00 0.00 C ATOM 0 H ASP A 103 36.435 27.547 24.498 1.00 0.00 H new ATOM 0 HA ASP A 103 37.984 29.477 22.977 1.00 0.00 H new ATOM 718 N GLY A 104 39.292 27.567 22.174 1.00 0.00 N ATOM 719 CA GLY A 104 40.007 26.437 21.615 1.00 0.00 C ATOM 720 C GLY A 104 41.226 26.101 22.463 1.00 0.00 C ATOM 721 O GLY A 104 41.789 25.015 22.334 1.00 0.00 O ATOM 0 H GLY A 104 39.299 28.398 21.583 1.00 0.00 H new ATOM 0 HA2 GLY A 104 39.346 25.572 21.561 1.00 0.00 H new ATOM 0 HA3 GLY A 104 40.318 26.665 20.596 1.00 0.00 H new ATOM 725 N ALA A 105 41.630 27.024 23.342 1.00 0.00 N ATOM 726 CA ALA A 105 42.758 26.817 24.227 1.00 0.00 C ATOM 727 C ALA A 105 42.236 25.987 25.391 1.00 0.00 C ATOM 728 O ALA A 105 42.966 25.200 25.990 1.00 0.00 O ATOM 729 CB ALA A 105 43.284 28.167 24.706 1.00 0.00 C ATOM 0 H ALA A 105 41.178 27.932 23.452 1.00 0.00 H new ATOM 0 HA ALA A 105 43.583 26.305 23.731 1.00 0.00 H new ATOM 0 HB1 ALA A 105 44.133 28.011 25.372 1.00 0.00 H new ATOM 0 HB2 ALA A 105 43.600 28.760 23.848 1.00 0.00 H new ATOM 0 HB3 ALA A 105 42.495 28.696 25.241 1.00 0.00 H new ATOM 732 N ALA A 106 40.947 26.180 25.692 1.00 0.00 N ATOM 733 CA ALA A 106 40.284 25.471 26.762 1.00 0.00 C ATOM 734 C ALA A 106 40.059 24.035 26.320 1.00 0.00 C ATOM 735 O ALA A 106 40.127 23.120 27.137 1.00 0.00 O ATOM 736 CB ALA A 106 38.960 26.157 27.086 1.00 0.00 C ATOM 0 H ALA A 106 40.345 26.835 25.193 1.00 0.00 H new ATOM 0 HA ALA A 106 40.897 25.476 27.663 1.00 0.00 H new ATOM 0 HB1 ALA A 106 38.461 25.621 27.893 1.00 0.00 H new ATOM 0 HB2 ALA A 106 39.149 27.185 27.395 1.00 0.00 H new ATOM 0 HB3 ALA A 106 38.323 26.155 26.201 1.00 0.00 H new ATOM 739 N PHE A 107 39.798 23.837 25.023 1.00 0.00 N ATOM 740 CA PHE A 107 39.581 22.518 24.462 1.00 0.00 C ATOM 741 C PHE A 107 40.920 21.836 24.222 1.00 0.00 C ATOM 742 O PHE A 107 40.996 20.610 24.208 1.00 0.00 O ATOM 743 CB PHE A 107 38.805 22.643 23.154 1.00 0.00 C ATOM 0 H PHE A 107 39.733 24.593 24.341 1.00 0.00 H new ATOM 0 HA PHE A 107 39.002 21.914 25.160 1.00 0.00 H new ATOM 746 N GLY A 108 41.977 22.632 24.028 1.00 0.00 N ATOM 747 CA GLY A 108 43.307 22.099 23.804 1.00 0.00 C ATOM 748 C GLY A 108 43.909 21.669 25.136 1.00 0.00 C ATOM 749 O GLY A 108 44.432 20.562 25.266 1.00 0.00 O ATOM 0 H GLY A 108 41.927 23.651 24.023 1.00 0.00 H new ATOM 0 HA2 GLY A 108 43.261 21.250 23.122 1.00 0.00 H new ATOM 0 HA3 GLY A 108 43.938 22.852 23.333 1.00 0.00 H new ATOM 753 N ALA A 109 43.803 22.540 26.142 1.00 0.00 N ATOM 754 CA ALA A 109 44.323 22.246 27.460 1.00 0.00 C ATOM 755 C ALA A 109 43.376 21.233 28.079 1.00 0.00 C ATOM 756 O ALA A 109 43.792 20.341 28.815 1.00 0.00 O ATOM 757 CB ALA A 109 44.382 23.526 28.287 1.00 0.00 C ATOM 0 H ALA A 109 43.359 23.454 26.059 1.00 0.00 H new ATOM 0 HA ALA A 109 45.335 21.844 27.418 1.00 0.00 H new ATOM 0 HB1 ALA A 109 44.774 23.301 29.279 1.00 0.00 H new ATOM 0 HB2 ALA A 109 45.034 24.248 27.795 1.00 0.00 H new ATOM 0 HB3 ALA A 109 43.380 23.946 28.380 1.00 0.00 H new ATOM 760 N ALA A 110 42.091 21.374 27.748 1.00 0.00 N ATOM 761 CA ALA A 110 41.068 20.472 28.229 1.00 0.00 C ATOM 762 C ALA A 110 41.343 19.077 27.685 1.00 0.00 C ATOM 763 O ALA A 110 41.439 18.118 28.450 1.00 0.00 O ATOM 764 CB ALA A 110 39.698 20.970 27.779 1.00 0.00 C ATOM 0 H ALA A 110 41.742 22.116 27.142 1.00 0.00 H new ATOM 0 HA ALA A 110 41.079 20.435 29.318 1.00 0.00 H new ATOM 0 HB1 ALA A 110 38.927 20.290 28.141 1.00 0.00 H new ATOM 0 HB2 ALA A 110 39.522 21.967 28.183 1.00 0.00 H new ATOM 0 HB3 ALA A 110 39.665 21.009 26.690 1.00 0.00 H new ATOM 767 N LEU A 111 41.480 18.952 26.361 1.00 0.00 N ATOM 768 CA LEU A 111 41.732 17.683 25.719 1.00 0.00 C ATOM 769 C LEU A 111 43.060 17.088 26.156 1.00 0.00 C ATOM 770 O LEU A 111 43.212 15.869 26.127 1.00 0.00 O ATOM 771 CB LEU A 111 41.705 17.873 24.205 1.00 0.00 C ATOM 0 H LEU A 111 41.417 19.738 25.713 1.00 0.00 H new ATOM 0 HA LEU A 111 40.951 16.983 26.017 1.00 0.00 H new ATOM 774 N GLN A 112 44.028 17.915 26.569 1.00 0.00 N ATOM 775 CA GLN A 112 45.309 17.417 27.024 1.00 0.00 C ATOM 776 C GLN A 112 45.095 16.851 28.416 1.00 0.00 C ATOM 777 O GLN A 112 45.740 15.880 28.806 1.00 0.00 O ATOM 778 CB GLN A 112 46.324 18.557 27.050 1.00 0.00 C ATOM 0 H GLN A 112 43.938 18.931 26.593 1.00 0.00 H new ATOM 0 HA GLN A 112 45.697 16.646 26.358 1.00 0.00 H new ATOM 781 N LYS A 113 44.163 17.455 29.159 1.00 0.00 N ATOM 782 CA LYS A 113 43.832 16.983 30.485 1.00 0.00 C ATOM 783 C LYS A 113 43.349 15.553 30.319 1.00 0.00 C ATOM 784 O LYS A 113 43.699 14.673 31.103 1.00 0.00 O ATOM 785 CB LYS A 113 42.748 17.869 31.094 1.00 0.00 C ATOM 0 H LYS A 113 43.631 18.270 28.855 1.00 0.00 H new ATOM 0 HA LYS A 113 44.689 17.020 31.158 1.00 0.00 H new ATOM 788 N LEU A 114 42.555 15.327 29.269 1.00 0.00 N ATOM 789 CA LEU A 114 42.056 14.004 28.955 1.00 0.00 C ATOM 790 C LEU A 114 43.205 13.176 28.395 1.00 0.00 C ATOM 791 O LEU A 114 43.226 11.955 28.539 1.00 0.00 O ATOM 792 CB LEU A 114 40.937 14.113 27.923 1.00 0.00 C ATOM 0 H LEU A 114 42.248 16.055 28.624 1.00 0.00 H new ATOM 0 HA LEU A 114 41.660 13.526 29.851 1.00 0.00 H new ATOM 795 N GLY A 115 44.166 13.854 27.763 1.00 0.00 N ATOM 796 CA GLY A 115 45.316 13.197 27.175 1.00 0.00 C ATOM 797 C GLY A 115 46.131 12.499 28.253 1.00 0.00 C ATOM 798 O GLY A 115 46.418 11.309 28.140 1.00 0.00 O ATOM 0 H GLY A 115 44.161 14.868 27.649 1.00 0.00 H new ATOM 0 HA2 GLY A 115 44.988 12.472 26.430 1.00 0.00 H new ATOM 0 HA3 GLY A 115 45.936 13.928 26.657 1.00 0.00 H new ATOM 802 N GLY A 116 46.503 13.238 29.301 1.00 0.00 N ATOM 803 CA GLY A 116 47.281 12.688 30.393 1.00 0.00 C ATOM 804 C GLY A 116 46.385 11.888 31.328 1.00 0.00 C ATOM 805 O GLY A 116 46.869 11.050 32.086 1.00 0.00 O ATOM 0 H GLY A 116 46.271 14.226 29.408 1.00 0.00 H new ATOM 0 HA2 GLY A 116 48.071 12.049 30.000 1.00 0.00 H new ATOM 0 HA3 GLY A 116 47.767 13.493 30.944 1.00 0.00 H new ATOM 809 N THR A 117 45.075 12.142 31.271 1.00 0.00 N ATOM 810 CA THR A 117 44.124 11.441 32.110 1.00 0.00 C ATOM 811 C THR A 117 44.025 9.993 31.652 1.00 0.00 C ATOM 812 O THR A 117 44.259 9.075 32.435 1.00 0.00 O ATOM 813 CB THR A 117 42.766 12.131 32.027 1.00 0.00 C ATOM 0 H THR A 117 44.656 12.832 30.647 1.00 0.00 H new ATOM 0 HA THR A 117 44.456 11.458 33.148 1.00 0.00 H new ATOM 816 N CYS A 118 43.682 9.792 30.378 1.00 0.00 N ATOM 817 CA CYS A 118 43.564 8.461 29.818 1.00 0.00 C ATOM 818 C CYS A 118 44.923 7.776 29.864 1.00 0.00 C ATOM 819 O CYS A 118 45.032 6.638 30.314 1.00 0.00 O ATOM 820 CB CYS A 118 43.052 8.556 28.384 1.00 0.00 C ATOM 0 H CYS A 118 43.482 10.544 29.719 1.00 0.00 H new ATOM 0 HA CYS A 118 42.855 7.871 30.399 1.00 0.00 H new ATOM 823 N LYS A 119 45.960 8.478 29.402 1.00 0.00 N ATOM 824 CA LYS A 119 47.306 7.943 29.398 1.00 0.00 C ATOM 825 C LYS A 119 47.699 7.556 30.816 1.00 0.00 C ATOM 826 O LYS A 119 48.318 6.516 31.028 1.00 0.00 O ATOM 827 CB LYS A 119 48.266 8.989 28.836 1.00 0.00 C ATOM 0 H LYS A 119 45.883 9.423 29.026 1.00 0.00 H new ATOM 0 HA LYS A 119 47.353 7.054 28.769 1.00 0.00 H new ATOM 830 N ALA A 120 47.331 8.397 31.786 1.00 0.00 N ATOM 831 CA ALA A 120 47.634 8.145 33.181 1.00 0.00 C ATOM 832 C ALA A 120 47.108 6.774 33.580 1.00 0.00 C ATOM 833 O ALA A 120 47.822 5.991 34.202 1.00 0.00 O ATOM 834 CB ALA A 120 47.004 9.236 34.042 1.00 0.00 C ATOM 0 H ALA A 120 46.819 9.263 31.620 1.00 0.00 H new ATOM 0 HA ALA A 120 48.713 8.159 33.333 1.00 0.00 H new ATOM 0 HB1 ALA A 120 47.231 9.048 35.091 1.00 0.00 H new ATOM 0 HB2 ALA A 120 47.407 10.206 33.752 1.00 0.00 H new ATOM 0 HB3 ALA A 120 45.923 9.234 33.899 1.00 0.00 H new ATOM 837 N CYS A 121 45.856 6.484 33.214 1.00 0.00 N ATOM 838 CA CYS A 121 45.241 5.209 33.525 1.00 0.00 C ATOM 839 C CYS A 121 46.110 4.081 32.987 1.00 0.00 C ATOM 840 O CYS A 121 46.440 3.147 33.714 1.00 0.00 O ATOM 841 CB CYS A 121 43.845 5.157 32.912 1.00 0.00 C ATOM 0 H CYS A 121 45.253 7.125 32.699 1.00 0.00 H new ATOM 0 HA CYS A 121 45.152 5.093 34.605 1.00 0.00 H new ATOM 844 N HIS A 122 46.485 4.174 31.709 1.00 0.00 N ATOM 845 CA HIS A 122 47.319 3.170 31.080 1.00 0.00 C ATOM 846 C HIS A 122 48.659 3.103 31.797 1.00 0.00 C ATOM 847 O HIS A 122 49.236 2.028 31.944 1.00 0.00 O ATOM 848 CB HIS A 122 47.511 3.522 29.607 1.00 0.00 C ATOM 0 H HIS A 122 46.218 4.942 31.094 1.00 0.00 H new ATOM 0 HA HIS A 122 46.840 2.193 31.146 1.00 0.00 H new ATOM 851 N ASP A 123 49.148 4.258 32.254 1.00 0.00 N ATOM 852 CA ASP A 123 50.412 4.333 32.958 1.00 0.00 C ATOM 853 C ASP A 123 50.271 3.681 34.326 1.00 0.00 C ATOM 854 O ASP A 123 51.248 3.183 34.881 1.00 0.00 O ATOM 855 CB ASP A 123 50.830 5.794 33.096 1.00 0.00 C ATOM 0 H ASP A 123 48.677 5.156 32.143 1.00 0.00 H new ATOM 0 HA ASP A 123 51.181 3.802 32.398 1.00 0.00 H new ATOM 858 N ASP A 124 49.048 3.677 34.860 1.00 0.00 N ATOM 859 CA ASP A 124 48.775 3.087 36.155 1.00 0.00 C ATOM 860 C ASP A 124 48.706 1.574 36.013 1.00 0.00 C ATOM 861 O ASP A 124 49.487 0.854 36.632 1.00 0.00 O ATOM 862 CB ASP A 124 47.460 3.640 36.698 1.00 0.00 C ATOM 0 H ASP A 124 48.230 4.082 34.404 1.00 0.00 H new ATOM 0 HA ASP A 124 49.572 3.337 36.855 1.00 0.00 H new ATOM 865 N TYR A 125 47.768 1.094 35.193 1.00 0.00 N ATOM 866 CA TYR A 125 47.604 -0.328 34.967 1.00 0.00 C ATOM 867 C TYR A 125 48.710 -0.826 34.048 1.00 0.00 C ATOM 868 O TYR A 125 49.247 -0.058 33.253 1.00 0.00 O ATOM 869 CB TYR A 125 46.230 -0.593 34.357 1.00 0.00 C ATOM 0 H TYR A 125 47.112 1.680 34.676 1.00 0.00 H new ATOM 0 HA TYR A 125 47.671 -0.864 35.913 1.00 0.00 H new ATOM 872 N ARG A 126 49.051 -2.111 34.167 1.00 0.00 N ATOM 873 CA ARG A 126 50.094 -2.711 33.358 1.00 0.00 C ATOM 874 C ARG A 126 51.380 -1.907 33.489 1.00 0.00 C ATOM 875 O ARG A 126 52.203 -1.897 32.577 1.00 0.00 O ATOM 876 CB ARG A 126 49.642 -2.774 31.902 1.00 0.00 C ATOM 0 H ARG A 126 48.611 -2.754 34.825 1.00 0.00 H new ATOM 0 HA ARG A 126 50.286 -3.725 33.707 1.00 0.00 H new ATOM 879 N GLU A 127 51.545 -1.222 34.623 1.00 0.00 N ATOM 880 CA GLU A 127 52.726 -0.418 34.865 1.00 0.00 C ATOM 881 C GLU A 127 53.974 -1.275 34.711 1.00 0.00 C ATOM 882 O GLU A 127 53.888 -2.501 34.696 1.00 0.00 O ATOM 883 CB GLU A 127 52.652 0.187 36.264 1.00 0.00 C ATOM 0 H GLU A 127 50.868 -1.214 35.386 1.00 0.00 H new ATOM 0 HA GLU A 127 52.775 0.392 34.137 1.00 0.00 H new ATOM 886 N GLU A 128 55.134 -0.625 34.589 1.00 0.00 N ATOM 887 CA GLU A 128 56.393 -1.326 34.433 1.00 0.00 C ATOM 888 C GLU A 128 57.513 -0.324 34.193 1.00 0.00 C ATOM 889 O GLU A 128 57.279 0.883 34.192 1.00 0.00 O ATOM 890 CB GLU A 128 56.290 -2.306 33.268 1.00 0.00 C ATOM 0 H GLU A 128 55.218 0.391 34.596 1.00 0.00 H new ATOM 0 HA GLU A 128 56.617 -1.884 35.342 1.00 0.00 H new ATOM 893 N ASP A 129 58.733 -0.827 33.988 1.00 0.00 N ATOM 894 CA ASP A 129 59.881 0.023 33.748 1.00 0.00 C ATOM 895 C ASP A 129 61.141 -0.826 33.662 1.00 0.00 C ATOM 896 O ASP A 129 61.061 -1.898 33.024 1.00 0.00 O ATOM 897 CB ASP A 129 59.996 1.051 34.869 1.00 0.00 C ATOM 0 H ASP A 129 58.942 -1.825 33.985 1.00 0.00 H new ATOM 0 HA ASP A 129 59.757 0.550 32.802 1.00 0.00 H new TER 900 ASP A 129 HETATM 901 FE HEM A 130 42.426 3.864 28.387 1.00 0.00 FE