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 36.580 -12.432 18.298 1.00 0.00 N ATOM 2 CA ALA A 1 37.995 -12.521 18.598 1.00 0.00 C ATOM 3 C ALA A 1 38.257 -13.778 19.414 1.00 0.00 C ATOM 4 O ALA A 1 39.020 -14.645 18.994 1.00 0.00 O ATOM 5 CB ALA A 1 38.785 -12.545 17.293 1.00 0.00 C ATOM 0 H1 ALA A 1 36.397 -11.574 17.740 1.00 0.00 H new ATOM 0 H2 ALA A 1 36.287 -13.268 17.753 1.00 0.00 H new ATOM 0 H3 ALA A 1 36.039 -12.390 19.185 1.00 0.00 H new ATOM 0 HA ALA A 1 38.312 -11.656 19.181 1.00 0.00 H new ATOM 0 HB1 ALA A 1 39.850 -12.612 17.514 1.00 0.00 H new ATOM 0 HB2 ALA A 1 38.482 -13.408 16.700 1.00 0.00 H new ATOM 0 HB3 ALA A 1 38.588 -11.632 16.731 1.00 0.00 H new ATOM 7 N ASP A 2 37.622 -13.875 20.584 1.00 0.00 N ATOM 8 CA ASP A 2 37.788 -15.023 21.453 1.00 0.00 C ATOM 9 C ASP A 2 36.995 -14.817 22.735 1.00 0.00 C ATOM 10 O ASP A 2 36.361 -13.779 22.914 1.00 0.00 O ATOM 11 CB ASP A 2 39.270 -15.218 21.759 1.00 0.00 C ATOM 0 H ASP A 2 36.987 -13.164 20.946 1.00 0.00 H new ATOM 0 HA ASP A 2 37.413 -15.918 20.957 1.00 0.00 H new ATOM 14 N THR A 3 37.031 -15.809 23.627 1.00 0.00 N ATOM 15 CA THR A 3 36.317 -15.734 24.887 1.00 0.00 C ATOM 16 C THR A 3 36.735 -14.482 25.644 1.00 0.00 C ATOM 17 O THR A 3 37.268 -14.572 26.748 1.00 0.00 O ATOM 18 CB THR A 3 36.605 -16.986 25.709 1.00 0.00 C ATOM 0 H THR A 3 37.552 -16.675 23.492 1.00 0.00 H new ATOM 0 HA THR A 3 35.245 -15.678 24.699 1.00 0.00 H new ATOM 21 N LYS A 4 36.490 -13.313 25.046 1.00 0.00 N ATOM 22 CA LYS A 4 36.835 -12.045 25.658 1.00 0.00 C ATOM 23 C LYS A 4 36.022 -10.932 25.013 1.00 0.00 C ATOM 24 O LYS A 4 36.584 -9.996 24.448 1.00 0.00 O ATOM 25 CB LYS A 4 38.330 -11.790 25.494 1.00 0.00 C ATOM 0 H LYS A 4 36.049 -13.228 24.130 1.00 0.00 H new ATOM 0 HA LYS A 4 36.603 -12.072 26.723 1.00 0.00 H new ATOM 28 N GLU A 5 34.694 -11.037 25.098 1.00 0.00 N ATOM 29 CA GLU A 5 33.806 -10.047 24.524 1.00 0.00 C ATOM 30 C GLU A 5 33.837 -8.777 25.363 1.00 0.00 C ATOM 31 O GLU A 5 33.942 -7.677 24.825 1.00 0.00 O ATOM 32 CB GLU A 5 32.391 -10.614 24.460 1.00 0.00 C ATOM 0 H GLU A 5 34.216 -11.808 25.565 1.00 0.00 H new ATOM 0 HA GLU A 5 34.134 -9.801 23.514 1.00 0.00 H new ATOM 35 N VAL A 6 33.752 -8.933 26.686 1.00 0.00 N ATOM 36 CA VAL A 6 33.766 -7.805 27.596 1.00 0.00 C ATOM 37 C VAL A 6 35.079 -7.046 27.476 1.00 0.00 C ATOM 38 O VAL A 6 35.093 -5.819 27.535 1.00 0.00 O ATOM 39 CB VAL A 6 33.556 -8.302 29.024 1.00 0.00 C ATOM 0 H VAL A 6 33.672 -9.840 27.145 1.00 0.00 H new ATOM 0 HA VAL A 6 32.957 -7.122 27.338 1.00 0.00 H new ATOM 42 N LEU A 7 36.185 -7.773 27.298 1.00 0.00 N ATOM 43 CA LEU A 7 37.488 -7.152 27.169 1.00 0.00 C ATOM 44 C LEU A 7 37.578 -6.450 25.823 1.00 0.00 C ATOM 45 O LEU A 7 37.908 -5.268 25.768 1.00 0.00 O ATOM 46 CB LEU A 7 38.574 -8.216 27.302 1.00 0.00 C ATOM 0 H LEU A 7 36.195 -8.791 27.241 1.00 0.00 H new ATOM 0 HA LEU A 7 37.631 -6.413 27.958 1.00 0.00 H new ATOM 49 N GLU A 8 37.288 -7.188 24.748 1.00 0.00 N ATOM 50 CA GLU A 8 37.322 -6.655 23.398 1.00 0.00 C ATOM 51 C GLU A 8 36.540 -5.351 23.311 1.00 0.00 C ATOM 52 O GLU A 8 37.001 -4.389 22.698 1.00 0.00 O ATOM 53 CB GLU A 8 36.755 -7.689 22.431 1.00 0.00 C ATOM 0 H GLU A 8 37.024 -8.172 24.797 1.00 0.00 H new ATOM 0 HA GLU A 8 38.356 -6.440 23.127 1.00 0.00 H new ATOM 56 N ALA A 9 35.362 -5.307 23.937 1.00 0.00 N ATOM 57 CA ALA A 9 34.544 -4.115 23.935 1.00 0.00 C ATOM 58 C ALA A 9 35.333 -3.015 24.617 1.00 0.00 C ATOM 59 O ALA A 9 35.415 -1.900 24.108 1.00 0.00 O ATOM 60 CB ALA A 9 33.232 -4.388 24.666 1.00 0.00 C ATOM 0 H ALA A 9 34.961 -6.092 24.451 1.00 0.00 H new ATOM 0 HA ALA A 9 34.296 -3.811 22.918 1.00 0.00 H new ATOM 0 HB1 ALA A 9 32.619 -3.487 24.662 1.00 0.00 H new ATOM 0 HB2 ALA A 9 32.696 -5.194 24.164 1.00 0.00 H new ATOM 0 HB3 ALA A 9 33.443 -4.679 25.695 1.00 0.00 H new ATOM 63 N ARG A 10 35.930 -3.335 25.767 1.00 0.00 N ATOM 64 CA ARG A 10 36.743 -2.381 26.488 1.00 0.00 C ATOM 65 C ARG A 10 37.886 -1.943 25.585 1.00 0.00 C ATOM 66 O ARG A 10 38.355 -0.809 25.679 1.00 0.00 O ATOM 67 CB ARG A 10 37.275 -3.028 27.764 1.00 0.00 C ATOM 0 H ARG A 10 35.859 -4.251 26.211 1.00 0.00 H new ATOM 0 HA ARG A 10 36.153 -1.508 26.769 1.00 0.00 H new ATOM 70 N GLU A 11 38.325 -2.834 24.690 1.00 0.00 N ATOM 71 CA GLU A 11 39.401 -2.511 23.777 1.00 0.00 C ATOM 72 C GLU A 11 38.921 -1.371 22.896 1.00 0.00 C ATOM 73 O GLU A 11 39.684 -0.468 22.558 1.00 0.00 O ATOM 74 CB GLU A 11 39.751 -3.739 22.943 1.00 0.00 C ATOM 0 H GLU A 11 37.948 -3.776 24.587 1.00 0.00 H new ATOM 0 HA GLU A 11 40.300 -2.210 24.315 1.00 0.00 H new ATOM 77 N ALA A 12 37.635 -1.418 22.543 1.00 0.00 N ATOM 78 CA ALA A 12 37.017 -0.402 21.712 1.00 0.00 C ATOM 79 C ALA A 12 36.925 0.892 22.506 1.00 0.00 C ATOM 80 O ALA A 12 37.179 1.970 21.975 1.00 0.00 O ATOM 81 CB ALA A 12 35.628 -0.874 21.294 1.00 0.00 C ATOM 0 H ALA A 12 37.000 -2.163 22.828 1.00 0.00 H new ATOM 0 HA ALA A 12 37.612 -0.228 20.816 1.00 0.00 H new ATOM 0 HB1 ALA A 12 35.158 -0.114 20.669 1.00 0.00 H new ATOM 0 HB2 ALA A 12 35.714 -1.804 20.732 1.00 0.00 H new ATOM 0 HB3 ALA A 12 35.018 -1.041 22.182 1.00 0.00 H new ATOM 84 N TYR A 13 36.564 0.775 23.786 1.00 0.00 N ATOM 85 CA TYR A 13 36.449 1.925 24.659 1.00 0.00 C ATOM 86 C TYR A 13 37.808 2.600 24.782 1.00 0.00 C ATOM 87 O TYR A 13 37.889 3.800 25.037 1.00 0.00 O ATOM 88 CB TYR A 13 35.943 1.475 26.027 1.00 0.00 C ATOM 0 H TYR A 13 36.347 -0.115 24.235 1.00 0.00 H new ATOM 0 HA TYR A 13 35.739 2.640 24.244 1.00 0.00 H new ATOM 91 N PHE A 14 38.878 1.826 24.571 1.00 0.00 N ATOM 92 CA PHE A 14 40.228 2.344 24.652 1.00 0.00 C ATOM 93 C PHE A 14 40.527 3.112 23.374 1.00 0.00 C ATOM 94 O PHE A 14 41.042 4.227 23.420 1.00 0.00 O ATOM 95 CB PHE A 14 41.207 1.188 24.834 1.00 0.00 C ATOM 0 H PHE A 14 38.823 0.834 24.342 1.00 0.00 H new ATOM 0 HA PHE A 14 40.331 3.014 25.505 1.00 0.00 H new ATOM 98 N LYS A 15 40.192 2.511 22.229 1.00 0.00 N ATOM 99 CA LYS A 15 40.403 3.140 20.941 1.00 0.00 C ATOM 100 C LYS A 15 39.510 4.368 20.839 1.00 0.00 C ATOM 101 O LYS A 15 39.828 5.314 20.124 1.00 0.00 O ATOM 102 CB LYS A 15 40.084 2.143 19.831 1.00 0.00 C ATOM 0 H LYS A 15 39.771 1.583 22.178 1.00 0.00 H new ATOM 0 HA LYS A 15 41.443 3.450 20.837 1.00 0.00 H new ATOM 105 N SER A 16 38.387 4.346 21.562 1.00 0.00 N ATOM 106 CA SER A 16 37.456 5.456 21.567 1.00 0.00 C ATOM 107 C SER A 16 38.122 6.666 22.205 1.00 0.00 C ATOM 108 O SER A 16 38.377 7.664 21.533 1.00 0.00 O ATOM 109 CB SER A 16 36.196 5.062 22.332 1.00 0.00 C ATOM 0 H SER A 16 38.108 3.562 22.152 1.00 0.00 H new ATOM 0 HA SER A 16 37.173 5.711 20.546 1.00 0.00 H new ATOM 112 N LEU A 17 38.407 6.577 23.507 1.00 0.00 N ATOM 113 CA LEU A 17 39.051 7.664 24.218 1.00 0.00 C ATOM 114 C LEU A 17 40.416 7.929 23.599 1.00 0.00 C ATOM 115 O LEU A 17 40.924 9.048 23.652 1.00 0.00 O ATOM 116 CB LEU A 17 39.187 7.294 25.692 1.00 0.00 C ATOM 0 H LEU A 17 38.199 5.761 24.082 1.00 0.00 H new ATOM 0 HA LEU A 17 38.451 8.571 24.142 1.00 0.00 H new ATOM 119 N GLY A 18 41.001 6.892 22.994 1.00 0.00 N ATOM 120 CA GLY A 18 42.302 6.996 22.369 1.00 0.00 C ATOM 121 C GLY A 18 42.216 7.820 21.092 1.00 0.00 C ATOM 122 O GLY A 18 43.123 8.593 20.791 1.00 0.00 O ATOM 0 H GLY A 18 40.580 5.965 22.929 1.00 0.00 H new ATOM 0 HA2 GLY A 18 43.008 7.457 23.060 1.00 0.00 H new ATOM 0 HA3 GLY A 18 42.683 6.001 22.141 1.00 0.00 H new ATOM 126 N GLY A 19 41.120 7.672 20.342 1.00 0.00 N ATOM 127 CA GLY A 19 40.938 8.400 19.104 1.00 0.00 C ATOM 128 C GLY A 19 40.741 9.874 19.414 1.00 0.00 C ATOM 129 O GLY A 19 41.256 10.733 18.702 1.00 0.00 O ATOM 0 H GLY A 19 40.348 7.049 20.581 1.00 0.00 H new ATOM 0 HA2 GLY A 19 41.806 8.265 18.458 1.00 0.00 H new ATOM 0 HA3 GLY A 19 40.075 8.011 18.564 1.00 0.00 H new ATOM 133 N SER A 20 40.003 10.166 20.487 1.00 0.00 N ATOM 134 CA SER A 20 39.761 11.537 20.885 1.00 0.00 C ATOM 135 C SER A 20 41.102 12.210 21.164 1.00 0.00 C ATOM 136 O SER A 20 41.366 13.288 20.640 1.00 0.00 O ATOM 137 CB SER A 20 38.872 11.559 22.125 1.00 0.00 C ATOM 0 H SER A 20 39.567 9.467 21.089 1.00 0.00 H new ATOM 0 HA SER A 20 39.250 12.079 20.090 1.00 0.00 H new ATOM 140 N MET A 21 41.949 11.580 21.988 1.00 0.00 N ATOM 141 CA MET A 21 43.265 12.100 22.308 1.00 0.00 C ATOM 142 C MET A 21 44.047 12.433 21.040 1.00 0.00 C ATOM 143 O MET A 21 44.681 13.482 20.954 1.00 0.00 O ATOM 144 CB MET A 21 44.019 11.062 23.133 1.00 0.00 C ATOM 0 H MET A 21 41.732 10.695 22.447 1.00 0.00 H new ATOM 0 HA MET A 21 43.153 13.021 22.881 1.00 0.00 H new ATOM 147 N LYS A 22 44.001 11.526 20.061 1.00 0.00 N ATOM 148 CA LYS A 22 44.712 11.707 18.805 1.00 0.00 C ATOM 149 C LYS A 22 44.158 12.908 18.045 1.00 0.00 C ATOM 150 O LYS A 22 44.875 13.873 17.791 1.00 0.00 O ATOM 151 CB LYS A 22 44.591 10.437 17.967 1.00 0.00 C ATOM 0 H LYS A 22 43.473 10.655 20.121 1.00 0.00 H new ATOM 0 HA LYS A 22 45.765 11.898 19.013 1.00 0.00 H new ATOM 154 N ALA A 23 42.877 12.826 17.681 1.00 0.00 N ATOM 155 CA ALA A 23 42.217 13.909 16.968 1.00 0.00 C ATOM 156 C ALA A 23 42.382 15.211 17.755 1.00 0.00 C ATOM 157 O ALA A 23 42.294 16.305 17.201 1.00 0.00 O ATOM 158 CB ALA A 23 40.740 13.571 16.785 1.00 0.00 C ATOM 0 H ALA A 23 42.281 12.020 17.870 1.00 0.00 H new ATOM 0 HA ALA A 23 42.669 14.037 15.984 1.00 0.00 H new ATOM 0 HB1 ALA A 23 40.245 14.382 16.251 1.00 0.00 H new ATOM 0 HB2 ALA A 23 40.646 12.648 16.212 1.00 0.00 H new ATOM 0 HB3 ALA A 23 40.273 13.441 17.761 1.00 0.00 H new ATOM 161 N MET A 24 42.632 15.060 19.057 1.00 0.00 N ATOM 162 CA MET A 24 42.812 16.180 19.959 1.00 0.00 C ATOM 163 C MET A 24 44.222 16.744 19.845 1.00 0.00 C ATOM 164 O MET A 24 44.405 17.958 19.803 1.00 0.00 O ATOM 165 CB MET A 24 42.532 15.725 21.389 1.00 0.00 C ATOM 0 H MET A 24 42.714 14.150 19.510 1.00 0.00 H new ATOM 0 HA MET A 24 42.113 16.972 19.688 1.00 0.00 H new ATOM 168 N THR A 25 45.218 15.858 19.798 1.00 0.00 N ATOM 169 CA THR A 25 46.608 16.263 19.716 1.00 0.00 C ATOM 170 C THR A 25 46.930 16.870 18.358 1.00 0.00 C ATOM 171 O THR A 25 47.703 17.823 18.279 1.00 0.00 O ATOM 172 CB THR A 25 47.499 15.053 19.985 1.00 0.00 C ATOM 0 H THR A 25 45.078 14.848 19.816 1.00 0.00 H new ATOM 0 HA THR A 25 46.794 17.030 20.468 1.00 0.00 H new ATOM 175 N GLY A 26 46.338 16.333 17.288 1.00 0.00 N ATOM 176 CA GLY A 26 46.588 16.821 15.946 1.00 0.00 C ATOM 177 C GLY A 26 45.787 18.089 15.685 1.00 0.00 C ATOM 178 O GLY A 26 46.345 19.110 15.288 1.00 0.00 O ATOM 0 H GLY A 26 45.679 15.555 17.335 1.00 0.00 H new ATOM 0 HA2 GLY A 26 47.652 17.022 15.818 1.00 0.00 H new ATOM 0 HA3 GLY A 26 46.318 16.056 15.218 1.00 0.00 H new ATOM 182 N VAL A 27 44.474 18.029 15.919 1.00 0.00 N ATOM 183 CA VAL A 27 43.615 19.175 15.711 1.00 0.00 C ATOM 184 C VAL A 27 44.060 20.270 16.667 1.00 0.00 C ATOM 185 O VAL A 27 44.244 21.416 16.266 1.00 0.00 O ATOM 186 CB VAL A 27 42.164 18.780 15.967 1.00 0.00 C ATOM 0 H VAL A 27 43.992 17.194 16.253 1.00 0.00 H new ATOM 0 HA VAL A 27 43.686 19.536 14.685 1.00 0.00 H new ATOM 189 N ALA A 28 44.237 19.902 17.937 1.00 0.00 N ATOM 190 CA ALA A 28 44.681 20.832 18.953 1.00 0.00 C ATOM 191 C ALA A 28 45.995 21.469 18.524 1.00 0.00 C ATOM 192 O ALA A 28 46.199 22.664 18.730 1.00 0.00 O ATOM 193 CB ALA A 28 44.847 20.093 20.278 1.00 0.00 C ATOM 0 H ALA A 28 44.075 18.955 18.280 1.00 0.00 H new ATOM 0 HA ALA A 28 43.940 21.621 19.082 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.181 20.792 21.045 1.00 0.00 H new ATOM 0 HB2 ALA A 28 43.892 19.659 20.574 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.586 19.300 20.162 1.00 0.00 H new ATOM 196 N LYS A 29 46.885 20.678 17.919 1.00 0.00 N ATOM 197 CA LYS A 29 48.172 21.170 17.468 1.00 0.00 C ATOM 198 C LYS A 29 48.000 22.045 16.235 1.00 0.00 C ATOM 199 O LYS A 29 48.889 22.827 15.905 1.00 0.00 O ATOM 200 CB LYS A 29 49.086 19.987 17.164 1.00 0.00 C ATOM 0 H LYS A 29 46.728 19.688 17.733 1.00 0.00 H new ATOM 0 HA LYS A 29 48.623 21.777 18.253 1.00 0.00 H new ATOM 203 N ALA A 30 46.859 21.909 15.552 1.00 0.00 N ATOM 204 CA ALA A 30 46.566 22.692 14.366 1.00 0.00 C ATOM 205 C ALA A 30 46.403 24.167 14.719 1.00 0.00 C ATOM 206 O ALA A 30 47.045 24.657 15.646 1.00 0.00 O ATOM 207 CB ALA A 30 45.299 22.151 13.709 1.00 0.00 C ATOM 0 H ALA A 30 46.121 21.254 15.811 1.00 0.00 H new ATOM 0 HA ALA A 30 47.398 22.610 13.666 1.00 0.00 H new ATOM 0 HB1 ALA A 30 45.074 22.736 12.817 1.00 0.00 H new ATOM 0 HB2 ALA A 30 45.450 21.108 13.431 1.00 0.00 H new ATOM 0 HB3 ALA A 30 44.467 22.223 14.409 1.00 0.00 H new ATOM 210 N PHE A 31 45.523 24.865 13.991 1.00 0.00 N ATOM 211 CA PHE A 31 45.285 26.282 14.209 1.00 0.00 C ATOM 212 C PHE A 31 44.449 26.859 13.075 1.00 0.00 C ATOM 213 O PHE A 31 44.986 27.510 12.182 1.00 0.00 O ATOM 214 CB PHE A 31 46.616 27.026 14.289 1.00 0.00 C ATOM 0 H PHE A 31 44.963 24.459 13.241 1.00 0.00 H new ATOM 0 HA PHE A 31 44.743 26.403 15.147 1.00 0.00 H new ATOM 217 N ASP A 32 43.132 26.637 13.111 1.00 0.00 N ATOM 218 CA ASP A 32 42.251 27.152 12.081 1.00 0.00 C ATOM 219 C ASP A 32 40.808 26.765 12.370 1.00 0.00 C ATOM 220 O ASP A 32 39.893 27.531 12.076 1.00 0.00 O ATOM 221 CB ASP A 32 42.690 26.607 10.724 1.00 0.00 C ATOM 0 H ASP A 32 42.662 26.105 13.843 1.00 0.00 H new ATOM 0 HA ASP A 32 42.311 28.240 12.068 1.00 0.00 H new ATOM 224 N ALA A 33 40.615 25.583 12.961 1.00 0.00 N ATOM 225 CA ALA A 33 39.291 25.083 13.280 1.00 0.00 C ATOM 226 C ALA A 33 39.381 23.628 13.715 1.00 0.00 C ATOM 227 O ALA A 33 38.506 23.143 14.429 1.00 0.00 O ATOM 228 CB ALA A 33 38.384 25.203 12.057 1.00 0.00 C ATOM 0 H ALA A 33 41.373 24.955 13.227 1.00 0.00 H new ATOM 0 HA ALA A 33 38.872 25.674 14.094 1.00 0.00 H new ATOM 0 HB1 ALA A 33 37.391 24.826 12.302 1.00 0.00 H new ATOM 0 HB2 ALA A 33 38.312 26.249 11.759 1.00 0.00 H new ATOM 0 HB3 ALA A 33 38.801 24.620 11.236 1.00 0.00 H new ATOM 231 N GLU A 34 40.440 22.943 13.270 1.00 0.00 N ATOM 232 CA GLU A 34 40.666 21.544 13.581 1.00 0.00 C ATOM 233 C GLU A 34 40.467 21.242 15.060 1.00 0.00 C ATOM 234 O GLU A 34 39.735 20.316 15.401 1.00 0.00 O ATOM 235 CB GLU A 34 42.078 21.159 13.146 1.00 0.00 C ATOM 0 H GLU A 34 41.164 23.354 12.681 1.00 0.00 H new ATOM 0 HA GLU A 34 39.930 20.952 13.037 1.00 0.00 H new ATOM 238 N ALA A 35 41.111 22.017 15.937 1.00 0.00 N ATOM 239 CA ALA A 35 41.015 21.816 17.371 1.00 0.00 C ATOM 240 C ALA A 35 39.567 21.731 17.834 1.00 0.00 C ATOM 241 O ALA A 35 39.121 20.668 18.259 1.00 0.00 O ATOM 242 CB ALA A 35 41.739 22.953 18.086 1.00 0.00 C ATOM 0 H ALA A 35 41.710 22.797 15.666 1.00 0.00 H new ATOM 0 HA ALA A 35 41.486 20.865 17.619 1.00 0.00 H new ATOM 0 HB1 ALA A 35 41.670 22.807 19.164 1.00 0.00 H new ATOM 0 HB2 ALA A 35 42.787 22.962 17.787 1.00 0.00 H new ATOM 0 HB3 ALA A 35 41.278 23.904 17.818 1.00 0.00 H new ATOM 245 N ALA A 36 38.843 22.852 17.764 1.00 0.00 N ATOM 246 CA ALA A 36 37.458 22.911 18.194 1.00 0.00 C ATOM 247 C ALA A 36 36.633 21.791 17.572 1.00 0.00 C ATOM 248 O ALA A 36 36.143 20.918 18.285 1.00 0.00 O ATOM 249 CB ALA A 36 36.875 24.273 17.830 1.00 0.00 C ATOM 0 H ALA A 36 39.206 23.736 17.408 1.00 0.00 H new ATOM 0 HA ALA A 36 37.423 22.777 19.275 1.00 0.00 H new ATOM 0 HB1 ALA A 36 35.835 24.321 18.151 1.00 0.00 H new ATOM 0 HB2 ALA A 36 37.445 25.058 18.327 1.00 0.00 H new ATOM 0 HB3 ALA A 36 36.928 24.415 16.751 1.00 0.00 H new ATOM 252 N LYS A 37 36.471 21.831 16.247 1.00 0.00 N ATOM 253 CA LYS A 37 35.698 20.836 15.526 1.00 0.00 C ATOM 254 C LYS A 37 36.107 19.415 15.898 1.00 0.00 C ATOM 255 O LYS A 37 35.344 18.705 16.552 1.00 0.00 O ATOM 256 CB LYS A 37 35.862 21.063 14.026 1.00 0.00 C ATOM 0 H LYS A 37 36.874 22.555 15.652 1.00 0.00 H new ATOM 0 HA LYS A 37 34.651 20.949 15.806 1.00 0.00 H new ATOM 259 N VAL A 38 37.301 18.998 15.465 1.00 0.00 N ATOM 260 CA VAL A 38 37.807 17.662 15.720 1.00 0.00 C ATOM 261 C VAL A 38 37.675 17.249 17.179 1.00 0.00 C ATOM 262 O VAL A 38 37.163 16.167 17.465 1.00 0.00 O ATOM 263 CB VAL A 38 39.263 17.572 15.271 1.00 0.00 C ATOM 0 H VAL A 38 37.939 19.585 14.927 1.00 0.00 H new ATOM 0 HA VAL A 38 37.196 16.967 15.144 1.00 0.00 H new ATOM 266 N GLU A 39 38.122 18.089 18.118 1.00 0.00 N ATOM 267 CA GLU A 39 38.049 17.760 19.524 1.00 0.00 C ATOM 268 C GLU A 39 36.601 17.543 19.923 1.00 0.00 C ATOM 269 O GLU A 39 36.305 16.565 20.602 1.00 0.00 O ATOM 270 CB GLU A 39 38.676 18.878 20.352 1.00 0.00 C ATOM 0 H GLU A 39 38.536 18.999 17.918 1.00 0.00 H new ATOM 0 HA GLU A 39 38.603 16.841 19.712 1.00 0.00 H new ATOM 273 N ALA A 40 35.715 18.457 19.509 1.00 0.00 N ATOM 274 CA ALA A 40 34.296 18.377 19.808 1.00 0.00 C ATOM 275 C ALA A 40 33.763 16.976 19.549 1.00 0.00 C ATOM 276 O ALA A 40 33.143 16.385 20.431 1.00 0.00 O ATOM 277 CB ALA A 40 33.543 19.403 18.966 1.00 0.00 C ATOM 0 H ALA A 40 35.972 19.274 18.955 1.00 0.00 H new ATOM 0 HA ALA A 40 34.144 18.597 20.865 1.00 0.00 H new ATOM 0 HB1 ALA A 40 32.478 19.345 19.189 1.00 0.00 H new ATOM 0 HB2 ALA A 40 33.908 20.403 19.199 1.00 0.00 H new ATOM 0 HB3 ALA A 40 33.705 19.195 17.908 1.00 0.00 H new ATOM 280 N ALA A 41 34.005 16.447 18.345 1.00 0.00 N ATOM 281 CA ALA A 41 33.578 15.104 18.004 1.00 0.00 C ATOM 282 C ALA A 41 34.118 14.139 19.052 1.00 0.00 C ATOM 283 O ALA A 41 33.378 13.307 19.577 1.00 0.00 O ATOM 284 CB ALA A 41 34.096 14.742 16.614 1.00 0.00 C ATOM 0 H ALA A 41 34.495 16.936 17.596 1.00 0.00 H new ATOM 0 HA ALA A 41 32.490 15.043 17.990 1.00 0.00 H new ATOM 0 HB1 ALA A 41 33.775 13.732 16.358 1.00 0.00 H new ATOM 0 HB2 ALA A 41 33.698 15.446 15.883 1.00 0.00 H new ATOM 0 HB3 ALA A 41 35.185 14.789 16.608 1.00 0.00 H new ATOM 287 N LYS A 42 35.413 14.268 19.359 1.00 0.00 N ATOM 288 CA LYS A 42 36.070 13.450 20.358 1.00 0.00 C ATOM 289 C LYS A 42 35.277 13.461 21.654 1.00 0.00 C ATOM 290 O LYS A 42 34.917 12.396 22.154 1.00 0.00 O ATOM 291 CB LYS A 42 37.464 14.015 20.606 1.00 0.00 C ATOM 0 H LYS A 42 36.029 14.949 18.914 1.00 0.00 H new ATOM 0 HA LYS A 42 36.137 12.422 20.002 1.00 0.00 H new ATOM 294 N LEU A 43 35.048 14.668 22.187 1.00 0.00 N ATOM 295 CA LEU A 43 34.280 14.874 23.401 1.00 0.00 C ATOM 296 C LEU A 43 33.041 14.001 23.346 1.00 0.00 C ATOM 297 O LEU A 43 32.839 13.182 24.240 1.00 0.00 O ATOM 298 CB LEU A 43 33.894 16.346 23.513 1.00 0.00 C ATOM 0 H LEU A 43 35.399 15.533 21.775 1.00 0.00 H new ATOM 0 HA LEU A 43 34.872 14.604 24.276 1.00 0.00 H new ATOM 301 N GLU A 44 32.235 14.192 22.294 1.00 0.00 N ATOM 302 CA GLU A 44 31.044 13.402 22.041 1.00 0.00 C ATOM 303 C GLU A 44 31.272 11.931 22.363 1.00 0.00 C ATOM 304 O GLU A 44 30.548 11.373 23.181 1.00 0.00 O ATOM 305 CB GLU A 44 30.626 13.573 20.583 1.00 0.00 C ATOM 0 H GLU A 44 32.402 14.912 21.591 1.00 0.00 H new ATOM 0 HA GLU A 44 30.246 13.757 22.693 1.00 0.00 H new ATOM 308 N LYS A 45 32.269 11.292 21.742 1.00 0.00 N ATOM 309 CA LYS A 45 32.573 9.899 22.018 1.00 0.00 C ATOM 310 C LYS A 45 32.793 9.668 23.511 1.00 0.00 C ATOM 311 O LYS A 45 32.245 8.724 24.076 1.00 0.00 O ATOM 312 CB LYS A 45 33.810 9.488 21.225 1.00 0.00 C ATOM 0 H LYS A 45 32.875 11.725 21.045 1.00 0.00 H new ATOM 0 HA LYS A 45 31.725 9.286 21.713 1.00 0.00 H new ATOM 315 N ILE A 46 33.598 10.528 24.144 1.00 0.00 N ATOM 316 CA ILE A 46 33.865 10.412 25.569 1.00 0.00 C ATOM 317 C ILE A 46 32.524 10.471 26.280 1.00 0.00 C ATOM 318 O ILE A 46 32.314 9.796 27.286 1.00 0.00 O ATOM 319 CB ILE A 46 34.800 11.529 26.024 1.00 0.00 C ATOM 0 H ILE A 46 34.072 11.308 23.688 1.00 0.00 H new ATOM 0 HA ILE A 46 34.366 9.473 25.805 1.00 0.00 H new ATOM 322 N LEU A 47 31.615 11.270 25.716 1.00 0.00 N ATOM 323 CA LEU A 47 30.239 11.336 26.177 1.00 0.00 C ATOM 324 C LEU A 47 29.589 10.117 25.531 1.00 0.00 C ATOM 325 O LEU A 47 28.711 10.251 24.680 1.00 0.00 O ATOM 326 CB LEU A 47 29.591 12.633 25.701 1.00 0.00 C ATOM 0 H LEU A 47 31.818 11.886 24.929 1.00 0.00 H new ATOM 0 HA LEU A 47 30.140 11.331 27.262 1.00 0.00 H new ATOM 329 N ALA A 48 30.119 8.942 25.877 1.00 0.00 N ATOM 330 CA ALA A 48 29.689 7.683 25.316 1.00 0.00 C ATOM 331 C ALA A 48 28.489 7.253 26.135 1.00 0.00 C ATOM 332 O ALA A 48 27.719 8.078 26.622 1.00 0.00 O ATOM 333 CB ALA A 48 30.828 6.671 25.406 1.00 0.00 C ATOM 0 H ALA A 48 30.867 8.849 26.564 1.00 0.00 H new ATOM 0 HA ALA A 48 29.420 7.763 24.263 1.00 0.00 H new ATOM 0 HB1 ALA A 48 30.504 5.720 24.983 1.00 0.00 H new ATOM 0 HB2 ALA A 48 31.689 7.042 24.849 1.00 0.00 H new ATOM 0 HB3 ALA A 48 31.106 6.527 26.450 1.00 0.00 H new ATOM 336 N THR A 49 28.402 5.936 26.338 1.00 0.00 N ATOM 337 CA THR A 49 27.486 5.346 27.284 1.00 0.00 C ATOM 338 C THR A 49 28.219 5.504 28.617 1.00 0.00 C ATOM 339 O THR A 49 29.161 6.289 28.696 1.00 0.00 O ATOM 340 CB THR A 49 27.255 3.877 26.943 1.00 0.00 C ATOM 0 H THR A 49 28.975 5.254 25.841 1.00 0.00 H new ATOM 0 HA THR A 49 26.499 5.808 27.292 1.00 0.00 H new ATOM 343 N ASP A 50 27.827 4.732 29.635 1.00 0.00 N ATOM 344 CA ASP A 50 28.488 4.763 30.935 1.00 0.00 C ATOM 345 C ASP A 50 29.556 3.673 31.012 1.00 0.00 C ATOM 346 O ASP A 50 29.348 2.582 30.486 1.00 0.00 O ATOM 347 CB ASP A 50 27.442 4.546 32.025 1.00 0.00 C ATOM 0 H ASP A 50 27.049 4.075 29.579 1.00 0.00 H new ATOM 0 HA ASP A 50 28.972 5.729 31.075 1.00 0.00 H new ATOM 350 N VAL A 51 30.697 3.954 31.664 1.00 0.00 N ATOM 351 CA VAL A 51 31.757 2.972 31.845 1.00 0.00 C ATOM 352 C VAL A 51 31.371 2.030 32.988 1.00 0.00 C ATOM 353 O VAL A 51 32.113 1.883 33.958 1.00 0.00 O ATOM 354 CB VAL A 51 33.065 3.691 32.158 1.00 0.00 C ATOM 0 H VAL A 51 30.901 4.865 32.075 1.00 0.00 H new ATOM 0 HA VAL A 51 31.892 2.388 30.934 1.00 0.00 H new ATOM 357 N ALA A 52 30.193 1.421 32.831 1.00 0.00 N ATOM 358 CA ALA A 52 29.618 0.487 33.784 1.00 0.00 C ATOM 359 C ALA A 52 29.181 -0.748 33.014 1.00 0.00 C ATOM 360 O ALA A 52 29.204 -1.858 33.542 1.00 0.00 O ATOM 361 CB ALA A 52 28.422 1.142 34.470 1.00 0.00 C ATOM 0 H ALA A 52 29.602 1.573 32.013 1.00 0.00 H new ATOM 0 HA ALA A 52 30.343 0.209 34.549 1.00 0.00 H new ATOM 0 HB1 ALA A 52 27.987 0.445 35.186 1.00 0.00 H new ATOM 0 HB2 ALA A 52 28.749 2.041 34.992 1.00 0.00 H new ATOM 0 HB3 ALA A 52 27.675 1.408 33.723 1.00 0.00 H new ATOM 364 N PRO A 53 28.796 -0.544 31.753 1.00 0.00 N ATOM 365 CA PRO A 53 28.363 -1.624 30.892 1.00 0.00 C ATOM 366 C PRO A 53 29.547 -2.514 30.538 1.00 0.00 C ATOM 367 O PRO A 53 29.349 -3.648 30.108 1.00 0.00 O ATOM 368 CB PRO A 53 27.731 -1.042 29.631 1.00 0.00 C ATOM 0 HA PRO A 53 27.622 -2.232 31.411 1.00 0.00 H new ATOM 370 N LEU A 54 30.770 -2.004 30.733 1.00 0.00 N ATOM 371 CA LEU A 54 31.991 -2.730 30.444 1.00 0.00 C ATOM 372 C LEU A 54 32.480 -3.437 31.704 1.00 0.00 C ATOM 373 O LEU A 54 32.767 -4.632 31.655 1.00 0.00 O ATOM 374 CB LEU A 54 33.047 -1.740 29.962 1.00 0.00 C ATOM 0 H LEU A 54 30.930 -1.066 31.100 1.00 0.00 H new ATOM 0 HA LEU A 54 31.805 -3.477 29.672 1.00 0.00 H new ATOM 377 N PHE A 55 32.563 -2.685 32.814 1.00 0.00 N ATOM 378 CA PHE A 55 33.046 -3.181 34.097 1.00 0.00 C ATOM 379 C PHE A 55 31.950 -3.206 35.155 1.00 0.00 C ATOM 380 O PHE A 55 30.787 -2.932 34.865 1.00 0.00 O ATOM 381 CB PHE A 55 34.184 -2.277 34.563 1.00 0.00 C ATOM 0 H PHE A 55 32.291 -1.702 32.837 1.00 0.00 H new ATOM 0 HA PHE A 55 33.388 -4.207 33.963 1.00 0.00 H new ATOM 384 N PRO A 56 32.345 -3.537 36.390 1.00 0.00 N ATOM 385 CA PRO A 56 31.443 -3.618 37.526 1.00 0.00 C ATOM 386 C PRO A 56 32.029 -4.582 38.552 1.00 0.00 C ATOM 387 O PRO A 56 32.021 -4.307 39.750 1.00 0.00 O ATOM 388 CB PRO A 56 31.252 -2.229 38.128 1.00 0.00 C ATOM 0 HA PRO A 56 30.468 -3.988 37.210 1.00 0.00 H new ATOM 390 N ALA A 57 32.546 -5.710 38.062 1.00 0.00 N ATOM 391 CA ALA A 57 33.151 -6.726 38.899 1.00 0.00 C ATOM 392 C ALA A 57 34.003 -7.651 38.038 1.00 0.00 C ATOM 393 O ALA A 57 33.477 -8.313 37.145 1.00 0.00 O ATOM 394 CB ALA A 57 32.055 -7.512 39.613 1.00 0.00 C ATOM 0 H ALA A 57 32.553 -5.938 37.068 1.00 0.00 H new ATOM 0 HA ALA A 57 33.791 -6.259 39.648 1.00 0.00 H new ATOM 0 HB1 ALA A 57 32.508 -8.277 40.243 1.00 0.00 H new ATOM 0 HB2 ALA A 57 31.465 -6.835 40.231 1.00 0.00 H new ATOM 0 HB3 ALA A 57 31.408 -7.986 38.875 1.00 0.00 H new ATOM 397 N GLY A 58 35.314 -7.689 38.305 1.00 0.00 N ATOM 398 CA GLY A 58 36.238 -8.544 37.577 1.00 0.00 C ATOM 399 C GLY A 58 36.789 -7.858 36.333 1.00 0.00 C ATOM 400 O GLY A 58 37.672 -8.401 35.673 1.00 0.00 O ATOM 0 H GLY A 58 35.756 -7.126 39.032 1.00 0.00 H new ATOM 0 HA2 GLY A 58 37.063 -8.826 38.231 1.00 0.00 H new ATOM 0 HA3 GLY A 58 35.730 -9.464 37.289 1.00 0.00 H new ATOM 404 N THR A 59 36.276 -6.669 36.011 1.00 0.00 N ATOM 405 CA THR A 59 36.728 -5.930 34.849 1.00 0.00 C ATOM 406 C THR A 59 38.236 -5.730 34.892 1.00 0.00 C ATOM 407 O THR A 59 38.724 -4.638 34.609 1.00 0.00 O ATOM 408 CB THR A 59 36.026 -4.578 34.806 1.00 0.00 C ATOM 0 H THR A 59 35.544 -6.202 36.547 1.00 0.00 H new ATOM 0 HA THR A 59 36.484 -6.499 33.952 1.00 0.00 H new ATOM 411 N SER A 60 38.975 -6.781 35.252 1.00 0.00 N ATOM 412 CA SER A 60 40.421 -6.710 35.327 1.00 0.00 C ATOM 413 C SER A 60 41.001 -8.117 35.322 1.00 0.00 C ATOM 414 O SER A 60 40.259 -9.092 35.417 1.00 0.00 O ATOM 415 CB SER A 60 40.830 -5.959 36.590 1.00 0.00 C ATOM 0 H SER A 60 38.586 -7.692 35.496 1.00 0.00 H new ATOM 0 HA SER A 60 40.810 -6.172 34.463 1.00 0.00 H new ATOM 418 N SER A 61 42.328 -8.217 35.212 1.00 0.00 N ATOM 419 CA SER A 61 42.997 -9.504 35.188 1.00 0.00 C ATOM 420 C SER A 61 44.482 -9.326 34.905 1.00 0.00 C ATOM 421 O SER A 61 44.893 -9.289 33.747 1.00 0.00 O ATOM 422 CB SER A 61 42.360 -10.392 34.122 1.00 0.00 C ATOM 0 H SER A 61 42.955 -7.416 35.138 1.00 0.00 H new ATOM 0 HA SER A 61 42.888 -9.979 36.163 1.00 0.00 H new ATOM 425 N THR A 62 45.287 -9.232 35.967 1.00 0.00 N ATOM 426 CA THR A 62 46.721 -9.066 35.833 1.00 0.00 C ATOM 427 C THR A 62 47.364 -10.400 35.483 1.00 0.00 C ATOM 428 O THR A 62 46.989 -11.435 36.029 1.00 0.00 O ATOM 429 CB THR A 62 47.293 -8.514 37.135 1.00 0.00 C ATOM 0 H THR A 62 44.959 -9.269 36.932 1.00 0.00 H new ATOM 0 HA THR A 62 46.936 -8.360 35.030 1.00 0.00 H new ATOM 432 N ASP A 63 48.330 -10.372 34.563 1.00 0.00 N ATOM 433 CA ASP A 63 49.023 -11.572 34.140 1.00 0.00 C ATOM 434 C ASP A 63 50.125 -11.202 33.158 1.00 0.00 C ATOM 435 O ASP A 63 51.255 -11.667 33.288 1.00 0.00 O ATOM 436 CB ASP A 63 48.026 -12.533 33.498 1.00 0.00 C ATOM 0 H ASP A 63 48.646 -9.521 34.099 1.00 0.00 H new ATOM 0 HA ASP A 63 49.476 -12.063 35.001 1.00 0.00 H new ATOM 439 N LEU A 64 49.789 -10.360 32.178 1.00 0.00 N ATOM 440 CA LEU A 64 50.739 -9.920 31.175 1.00 0.00 C ATOM 441 C LEU A 64 51.067 -11.068 30.232 1.00 0.00 C ATOM 442 O LEU A 64 52.177 -11.142 29.709 1.00 0.00 O ATOM 443 CB LEU A 64 51.999 -9.389 31.852 1.00 0.00 C ATOM 0 H LEU A 64 48.853 -9.970 32.065 1.00 0.00 H new ATOM 0 HA LEU A 64 50.300 -9.113 30.589 1.00 0.00 H new ATOM 446 N PRO A 65 50.097 -11.962 30.021 1.00 0.00 N ATOM 447 CA PRO A 65 50.272 -13.101 29.140 1.00 0.00 C ATOM 448 C PRO A 65 50.091 -12.660 27.695 1.00 0.00 C ATOM 449 O PRO A 65 49.735 -13.466 26.838 1.00 0.00 O ATOM 450 CB PRO A 65 49.259 -14.183 29.504 1.00 0.00 C ATOM 0 HA PRO A 65 51.277 -13.508 29.255 1.00 0.00 H new ATOM 452 N GLY A 66 50.328 -11.373 27.429 1.00 0.00 N ATOM 453 CA GLY A 66 50.185 -10.841 26.088 1.00 0.00 C ATOM 454 C GLY A 66 50.142 -9.320 26.102 1.00 0.00 C ATOM 455 O GLY A 66 50.690 -8.687 27.003 1.00 0.00 O ATOM 0 H GLY A 66 50.618 -10.689 28.128 1.00 0.00 H new ATOM 0 HA2 GLY A 66 51.017 -11.178 25.469 1.00 0.00 H new ATOM 0 HA3 GLY A 66 49.273 -11.229 25.635 1.00 0.00 H new ATOM 459 N GLN A 67 49.481 -8.741 25.096 1.00 0.00 N ATOM 460 CA GLN A 67 49.365 -7.302 24.969 1.00 0.00 C ATOM 461 C GLN A 67 48.820 -6.690 26.252 1.00 0.00 C ATOM 462 O GLN A 67 49.518 -5.935 26.925 1.00 0.00 O ATOM 463 CB GLN A 67 48.459 -6.970 23.787 1.00 0.00 C ATOM 0 H GLN A 67 49.016 -9.263 24.353 1.00 0.00 H new ATOM 0 HA GLN A 67 50.354 -6.879 24.792 1.00 0.00 H new ATOM 466 N THR A 68 47.568 -7.009 26.589 1.00 0.00 N ATOM 467 CA THR A 68 46.926 -6.491 27.781 1.00 0.00 C ATOM 468 C THR A 68 46.797 -4.976 27.706 1.00 0.00 C ATOM 469 O THR A 68 47.291 -4.352 26.769 1.00 0.00 O ATOM 470 CB THR A 68 47.726 -6.908 29.012 1.00 0.00 C ATOM 0 H THR A 68 46.979 -7.633 26.038 1.00 0.00 H new ATOM 0 HA THR A 68 45.921 -6.906 27.855 1.00 0.00 H new ATOM 473 N GLU A 69 46.125 -4.386 28.698 1.00 0.00 N ATOM 474 CA GLU A 69 45.930 -2.950 28.747 1.00 0.00 C ATOM 475 C GLU A 69 45.532 -2.534 30.156 1.00 0.00 C ATOM 476 O GLU A 69 46.340 -1.968 30.889 1.00 0.00 O ATOM 477 CB GLU A 69 44.858 -2.546 27.738 1.00 0.00 C ATOM 0 H GLU A 69 45.708 -4.892 29.479 1.00 0.00 H new ATOM 0 HA GLU A 69 46.859 -2.443 28.488 1.00 0.00 H new ATOM 480 N ALA A 70 44.281 -2.812 30.533 1.00 0.00 N ATOM 481 CA ALA A 70 43.783 -2.472 31.852 1.00 0.00 C ATOM 482 C ALA A 70 44.335 -3.462 32.867 1.00 0.00 C ATOM 483 O ALA A 70 45.110 -3.089 33.745 1.00 0.00 O ATOM 484 CB ALA A 70 42.257 -2.498 31.843 1.00 0.00 C ATOM 0 H ALA A 70 43.598 -3.274 29.933 1.00 0.00 H new ATOM 0 HA ALA A 70 44.109 -1.469 32.128 1.00 0.00 H new ATOM 0 HB1 ALA A 70 41.883 -2.242 32.834 1.00 0.00 H new ATOM 0 HB2 ALA A 70 41.885 -1.775 31.117 1.00 0.00 H new ATOM 0 HB3 ALA A 70 41.912 -3.495 31.571 1.00 0.00 H new ATOM 487 N LYS A 71 43.932 -4.729 32.743 1.00 0.00 N ATOM 488 CA LYS A 71 44.395 -5.776 33.631 1.00 0.00 C ATOM 489 C LYS A 71 44.164 -5.421 35.092 1.00 0.00 C ATOM 490 O LYS A 71 43.393 -4.512 35.396 1.00 0.00 O ATOM 491 CB LYS A 71 45.873 -6.045 33.368 1.00 0.00 C ATOM 0 H LYS A 71 43.280 -5.048 32.026 1.00 0.00 H new ATOM 0 HA LYS A 71 43.819 -6.679 33.428 1.00 0.00 H new ATOM 494 N ALA A 72 44.853 -6.151 35.978 1.00 0.00 N ATOM 495 CA ALA A 72 44.773 -5.960 37.416 1.00 0.00 C ATOM 496 C ALA A 72 46.001 -5.169 37.830 1.00 0.00 C ATOM 497 O ALA A 72 47.104 -5.519 37.414 1.00 0.00 O ATOM 498 CB ALA A 72 44.755 -7.319 38.110 1.00 0.00 C ATOM 0 H ALA A 72 45.489 -6.900 35.703 1.00 0.00 H new ATOM 0 HA ALA A 72 43.865 -5.426 37.696 1.00 0.00 H new ATOM 0 HB1 ALA A 72 44.695 -7.176 39.189 1.00 0.00 H new ATOM 0 HB2 ALA A 72 43.890 -7.889 37.771 1.00 0.00 H new ATOM 0 HB3 ALA A 72 45.667 -7.864 37.867 1.00 0.00 H new ATOM 501 N ALA A 73 45.800 -4.125 38.644 1.00 0.00 N ATOM 502 CA ALA A 73 46.844 -3.232 39.121 1.00 0.00 C ATOM 503 C ALA A 73 46.194 -1.882 39.377 1.00 0.00 C ATOM 504 O ALA A 73 45.829 -1.560 40.506 1.00 0.00 O ATOM 505 CB ALA A 73 47.966 -3.059 38.098 1.00 0.00 C ATOM 0 H ALA A 73 44.875 -3.878 38.995 1.00 0.00 H new ATOM 0 HA ALA A 73 47.291 -3.653 40.022 1.00 0.00 H new ATOM 0 HB1 ALA A 73 48.722 -2.384 38.498 1.00 0.00 H new ATOM 0 HB2 ALA A 73 48.419 -4.028 37.888 1.00 0.00 H new ATOM 0 HB3 ALA A 73 47.558 -2.642 37.177 1.00 0.00 H new ATOM 508 N ILE A 74 46.058 -1.100 38.306 1.00 0.00 N ATOM 509 CA ILE A 74 45.451 0.211 38.380 1.00 0.00 C ATOM 510 C ILE A 74 46.126 1.059 39.440 1.00 0.00 C ATOM 511 O ILE A 74 46.906 1.943 39.093 1.00 0.00 O ATOM 512 CB ILE A 74 43.951 0.084 38.631 1.00 0.00 C ATOM 0 H ILE A 74 46.367 -1.364 37.371 1.00 0.00 H new ATOM 0 HA ILE A 74 45.590 0.717 37.424 1.00 0.00 H new ATOM 515 N TRP A 75 45.845 0.808 40.723 1.00 0.00 N ATOM 516 CA TRP A 75 46.450 1.570 41.795 1.00 0.00 C ATOM 517 C TRP A 75 45.856 1.183 43.144 1.00 0.00 C ATOM 518 O TRP A 75 46.290 0.204 43.748 1.00 0.00 O ATOM 519 CB TRP A 75 46.280 3.067 41.543 1.00 0.00 C ATOM 0 H TRP A 75 45.201 0.081 41.034 1.00 0.00 H new ATOM 0 HA TRP A 75 47.515 1.339 41.818 1.00 0.00 H new ATOM 522 N ALA A 76 44.874 1.968 43.602 1.00 0.00 N ATOM 523 CA ALA A 76 44.232 1.752 44.889 1.00 0.00 C ATOM 524 C ALA A 76 43.033 0.823 44.762 1.00 0.00 C ATOM 525 O ALA A 76 42.210 0.772 45.674 1.00 0.00 O ATOM 526 CB ALA A 76 43.820 3.090 45.496 1.00 0.00 C ATOM 0 H ALA A 76 44.508 2.768 43.086 1.00 0.00 H new ATOM 0 HA ALA A 76 44.949 1.269 45.553 1.00 0.00 H new ATOM 0 HB1 ALA A 76 43.340 2.920 46.460 1.00 0.00 H new ATOM 0 HB2 ALA A 76 44.703 3.714 45.636 1.00 0.00 H new ATOM 0 HB3 ALA A 76 43.122 3.594 44.827 1.00 0.00 H new ATOM 529 N ASN A 77 42.933 0.116 43.629 1.00 0.00 N ATOM 530 CA ASN A 77 41.868 -0.838 43.373 1.00 0.00 C ATOM 531 C ASN A 77 40.630 -0.151 42.813 1.00 0.00 C ATOM 532 O ASN A 77 40.726 0.926 42.228 1.00 0.00 O ATOM 533 CB ASN A 77 41.540 -1.654 44.622 1.00 0.00 C ATOM 0 H ASN A 77 43.600 0.198 42.862 1.00 0.00 H new ATOM 0 HA ASN A 77 42.225 -1.534 42.614 1.00 0.00 H new ATOM 536 N MET A 78 39.478 -0.802 42.997 1.00 0.00 N ATOM 537 CA MET A 78 38.198 -0.321 42.507 1.00 0.00 C ATOM 538 C MET A 78 37.984 1.168 42.755 1.00 0.00 C ATOM 539 O MET A 78 37.502 1.874 41.872 1.00 0.00 O ATOM 540 CB MET A 78 37.080 -1.132 43.157 1.00 0.00 C ATOM 0 H MET A 78 39.415 -1.688 43.498 1.00 0.00 H new ATOM 0 HA MET A 78 38.188 -0.454 41.425 1.00 0.00 H new ATOM 543 N ASP A 79 38.338 1.653 43.947 1.00 0.00 N ATOM 544 CA ASP A 79 38.151 3.051 44.289 1.00 0.00 C ATOM 545 C ASP A 79 39.019 3.952 43.421 1.00 0.00 C ATOM 546 O ASP A 79 38.498 4.792 42.691 1.00 0.00 O ATOM 547 CB ASP A 79 38.471 3.257 45.767 1.00 0.00 C ATOM 0 H ASP A 79 38.756 1.091 44.688 1.00 0.00 H new ATOM 0 HA ASP A 79 37.112 3.322 44.103 1.00 0.00 H new ATOM 550 N ASP A 80 40.341 3.781 43.520 1.00 0.00 N ATOM 551 CA ASP A 80 41.280 4.580 42.752 1.00 0.00 C ATOM 552 C ASP A 80 40.916 4.531 41.279 1.00 0.00 C ATOM 553 O ASP A 80 40.884 5.564 40.612 1.00 0.00 O ATOM 554 CB ASP A 80 42.695 4.058 42.959 1.00 0.00 C ATOM 0 H ASP A 80 40.779 3.091 44.130 1.00 0.00 H new ATOM 0 HA ASP A 80 41.232 5.614 43.094 1.00 0.00 H new ATOM 557 N PHE A 81 40.644 3.323 40.779 1.00 0.00 N ATOM 558 CA PHE A 81 40.262 3.141 39.396 1.00 0.00 C ATOM 559 C PHE A 81 39.062 4.029 39.111 1.00 0.00 C ATOM 560 O PHE A 81 39.035 4.740 38.109 1.00 0.00 O ATOM 561 CB PHE A 81 39.935 1.672 39.141 1.00 0.00 C ATOM 0 H PHE A 81 40.684 2.460 41.322 1.00 0.00 H new ATOM 0 HA PHE A 81 41.079 3.420 38.731 1.00 0.00 H new ATOM 564 N GLY A 82 38.076 3.999 40.010 1.00 0.00 N ATOM 565 CA GLY A 82 36.896 4.824 39.875 1.00 0.00 C ATOM 566 C GLY A 82 37.322 6.280 39.778 1.00 0.00 C ATOM 567 O GLY A 82 36.745 7.044 39.007 1.00 0.00 O ATOM 0 H GLY A 82 38.081 3.406 40.840 1.00 0.00 H new ATOM 0 HA2 GLY A 82 36.334 4.536 38.987 1.00 0.00 H new ATOM 0 HA3 GLY A 82 36.236 4.681 40.730 1.00 0.00 H new ATOM 571 N ALA A 83 38.341 6.663 40.555 1.00 0.00 N ATOM 572 CA ALA A 83 38.849 8.022 40.554 1.00 0.00 C ATOM 573 C ALA A 83 39.199 8.462 39.140 1.00 0.00 C ATOM 574 O ALA A 83 38.572 9.380 38.620 1.00 0.00 O ATOM 575 CB ALA A 83 40.070 8.107 41.464 1.00 0.00 C ATOM 0 H ALA A 83 38.829 6.037 41.196 1.00 0.00 H new ATOM 0 HA ALA A 83 38.077 8.693 40.930 1.00 0.00 H new ATOM 0 HB1 ALA A 83 40.453 9.127 41.464 1.00 0.00 H new ATOM 0 HB2 ALA A 83 39.788 7.825 42.478 1.00 0.00 H new ATOM 0 HB3 ALA A 83 40.843 7.430 41.100 1.00 0.00 H new ATOM 578 N LYS A 84 40.208 7.819 38.538 1.00 0.00 N ATOM 579 CA LYS A 84 40.640 8.139 37.182 1.00 0.00 C ATOM 580 C LYS A 84 39.433 8.161 36.254 1.00 0.00 C ATOM 581 O LYS A 84 39.351 8.988 35.351 1.00 0.00 O ATOM 582 CB LYS A 84 41.660 7.103 36.718 1.00 0.00 C ATOM 0 H LYS A 84 40.741 7.069 38.978 1.00 0.00 H new ATOM 0 HA LYS A 84 41.108 9.123 37.164 1.00 0.00 H new ATOM 585 N GLY A 85 38.533 7.216 36.518 1.00 0.00 N ATOM 586 CA GLY A 85 37.286 7.108 35.779 1.00 0.00 C ATOM 587 C GLY A 85 36.659 8.496 35.783 1.00 0.00 C ATOM 588 O GLY A 85 36.493 9.118 34.736 1.00 0.00 O ATOM 0 H GLY A 85 38.650 6.511 37.245 1.00 0.00 H new ATOM 0 HA2 GLY A 85 37.467 6.767 34.760 1.00 0.00 H new ATOM 0 HA3 GLY A 85 36.621 6.381 36.245 1.00 0.00 H new ATOM 592 N LYS A 86 36.341 8.960 36.991 1.00 0.00 N ATOM 593 CA LYS A 86 35.806 10.293 37.189 1.00 0.00 C ATOM 594 C LYS A 86 36.691 11.318 36.477 1.00 0.00 C ATOM 595 O LYS A 86 36.182 12.243 35.853 1.00 0.00 O ATOM 596 CB LYS A 86 35.730 10.591 38.683 1.00 0.00 C ATOM 0 H LYS A 86 36.449 8.421 37.850 1.00 0.00 H new ATOM 0 HA LYS A 86 34.803 10.353 36.767 1.00 0.00 H new ATOM 599 N ALA A 87 38.014 11.141 36.573 1.00 0.00 N ATOM 600 CA ALA A 87 38.958 12.058 35.954 1.00 0.00 C ATOM 601 C ALA A 87 38.675 12.223 34.465 1.00 0.00 C ATOM 602 O ALA A 87 38.525 13.339 33.967 1.00 0.00 O ATOM 603 CB ALA A 87 40.382 11.563 36.180 1.00 0.00 C ATOM 0 H ALA A 87 38.449 10.367 37.076 1.00 0.00 H new ATOM 0 HA ALA A 87 38.843 13.037 36.419 1.00 0.00 H new ATOM 0 HB1 ALA A 87 41.085 12.253 35.714 1.00 0.00 H new ATOM 0 HB2 ALA A 87 40.582 11.508 37.250 1.00 0.00 H new ATOM 0 HB3 ALA A 87 40.498 10.574 35.737 1.00 0.00 H new ATOM 606 N MET A 88 38.611 11.103 33.748 1.00 0.00 N ATOM 607 CA MET A 88 38.335 11.111 32.328 1.00 0.00 C ATOM 608 C MET A 88 37.016 11.830 32.116 1.00 0.00 C ATOM 609 O MET A 88 36.878 12.584 31.161 1.00 0.00 O ATOM 610 CB MET A 88 38.270 9.677 31.809 1.00 0.00 C ATOM 0 H MET A 88 38.750 10.172 34.141 1.00 0.00 H new ATOM 0 HA MET A 88 39.124 11.626 31.779 1.00 0.00 H new ATOM 613 N HIS A 89 36.059 11.596 33.018 1.00 0.00 N ATOM 614 CA HIS A 89 34.766 12.266 32.959 1.00 0.00 C ATOM 615 C HIS A 89 34.990 13.778 33.029 1.00 0.00 C ATOM 616 O HIS A 89 34.322 14.549 32.344 1.00 0.00 O ATOM 617 CB HIS A 89 33.893 11.792 34.117 1.00 0.00 C ATOM 0 H HIS A 89 36.160 10.946 33.797 1.00 0.00 H new ATOM 0 HA HIS A 89 34.257 12.026 32.026 1.00 0.00 H new ATOM 620 N GLU A 90 35.913 14.171 33.910 1.00 0.00 N ATOM 621 CA GLU A 90 36.298 15.573 34.036 1.00 0.00 C ATOM 622 C GLU A 90 36.649 16.099 32.640 1.00 0.00 C ATOM 623 O GLU A 90 36.335 17.233 32.289 1.00 0.00 O ATOM 624 CB GLU A 90 37.479 15.709 34.994 1.00 0.00 C ATOM 0 H GLU A 90 36.404 13.539 34.543 1.00 0.00 H new ATOM 0 HA GLU A 90 35.477 16.160 34.447 1.00 0.00 H new ATOM 627 N ALA A 91 37.281 15.223 31.857 1.00 0.00 N ATOM 628 CA ALA A 91 37.639 15.537 30.472 1.00 0.00 C ATOM 629 C ALA A 91 36.386 15.490 29.582 1.00 0.00 C ATOM 630 O ALA A 91 36.225 16.269 28.645 1.00 0.00 O ATOM 631 CB ALA A 91 38.671 14.524 29.987 1.00 0.00 C ATOM 0 H ALA A 91 37.556 14.288 32.159 1.00 0.00 H new ATOM 0 HA ALA A 91 38.061 16.540 30.418 1.00 0.00 H new ATOM 0 HB1 ALA A 91 38.945 14.749 28.956 1.00 0.00 H new ATOM 0 HB2 ALA A 91 39.558 14.578 30.618 1.00 0.00 H new ATOM 0 HB3 ALA A 91 38.249 13.521 30.040 1.00 0.00 H new ATOM 634 N GLY A 92 35.516 14.547 29.932 1.00 0.00 N ATOM 635 CA GLY A 92 34.260 14.319 29.248 1.00 0.00 C ATOM 636 C GLY A 92 33.484 15.626 29.146 1.00 0.00 C ATOM 637 O GLY A 92 33.310 16.166 28.054 1.00 0.00 O ATOM 0 H GLY A 92 35.673 13.911 30.714 1.00 0.00 H new ATOM 0 HA2 GLY A 92 34.445 13.917 28.252 1.00 0.00 H new ATOM 0 HA3 GLY A 92 33.671 13.577 29.787 1.00 0.00 H new ATOM 641 N GLY A 93 33.019 16.146 30.286 1.00 0.00 N ATOM 642 CA GLY A 93 32.261 17.377 30.323 1.00 0.00 C ATOM 643 C GLY A 93 33.134 18.548 29.906 1.00 0.00 C ATOM 644 O GLY A 93 32.646 19.470 29.261 1.00 0.00 O ATOM 0 H GLY A 93 33.163 15.718 31.201 1.00 0.00 H new ATOM 0 HA2 GLY A 93 31.400 17.302 29.658 1.00 0.00 H new ATOM 0 HA3 GLY A 93 31.874 17.543 31.328 1.00 0.00 H new ATOM 648 N ALA A 94 34.419 18.520 30.273 1.00 0.00 N ATOM 649 CA ALA A 94 35.341 19.582 29.917 1.00 0.00 C ATOM 650 C ALA A 94 35.323 19.814 28.413 1.00 0.00 C ATOM 651 O ALA A 94 35.235 20.955 27.965 1.00 0.00 O ATOM 652 CB ALA A 94 36.749 19.220 30.381 1.00 0.00 C ATOM 0 H ALA A 94 34.837 17.766 30.819 1.00 0.00 H new ATOM 0 HA ALA A 94 35.031 20.503 30.412 1.00 0.00 H new ATOM 0 HB1 ALA A 94 37.438 20.020 30.111 1.00 0.00 H new ATOM 0 HB2 ALA A 94 36.753 19.087 31.463 1.00 0.00 H new ATOM 0 HB3 ALA A 94 37.063 18.294 29.901 1.00 0.00 H new ATOM 655 N VAL A 95 35.400 18.735 27.629 1.00 0.00 N ATOM 656 CA VAL A 95 35.383 18.837 26.184 1.00 0.00 C ATOM 657 C VAL A 95 34.016 19.337 25.744 1.00 0.00 C ATOM 658 O VAL A 95 33.915 20.132 24.815 1.00 0.00 O ATOM 659 CB VAL A 95 35.691 17.471 25.578 1.00 0.00 C ATOM 0 H VAL A 95 35.475 17.781 27.982 1.00 0.00 H new ATOM 0 HA VAL A 95 36.141 19.541 25.840 1.00 0.00 H new ATOM 662 N ILE A 96 32.967 18.857 26.415 1.00 0.00 N ATOM 663 CA ILE A 96 31.615 19.292 26.109 1.00 0.00 C ATOM 664 C ILE A 96 31.550 20.818 26.185 1.00 0.00 C ATOM 665 O ILE A 96 31.095 21.478 25.253 1.00 0.00 O ATOM 666 CB ILE A 96 30.641 18.658 27.098 1.00 0.00 C ATOM 0 H ILE A 96 33.033 18.172 27.168 1.00 0.00 H new ATOM 0 HA ILE A 96 31.338 18.978 25.102 1.00 0.00 H new ATOM 669 N ALA A 97 32.023 21.360 27.308 1.00 0.00 N ATOM 670 CA ALA A 97 32.035 22.792 27.542 1.00 0.00 C ATOM 671 C ALA A 97 32.854 23.525 26.484 1.00 0.00 C ATOM 672 O ALA A 97 32.318 24.354 25.752 1.00 0.00 O ATOM 673 CB ALA A 97 32.591 23.070 28.936 1.00 0.00 C ATOM 0 H ALA A 97 32.407 20.812 28.078 1.00 0.00 H new ATOM 0 HA ALA A 97 31.012 23.163 27.475 1.00 0.00 H new ATOM 0 HB1 ALA A 97 32.602 24.145 29.116 1.00 0.00 H new ATOM 0 HB2 ALA A 97 31.963 22.584 29.682 1.00 0.00 H new ATOM 0 HB3 ALA A 97 33.606 22.680 29.007 1.00 0.00 H new ATOM 676 N ALA A 98 34.156 23.227 26.415 1.00 0.00 N ATOM 677 CA ALA A 98 35.051 23.869 25.468 1.00 0.00 C ATOM 678 C ALA A 98 34.505 23.771 24.049 1.00 0.00 C ATOM 679 O ALA A 98 34.376 24.786 23.367 1.00 0.00 O ATOM 680 CB ALA A 98 36.429 23.219 25.557 1.00 0.00 C ATOM 0 H ALA A 98 34.609 22.537 27.014 1.00 0.00 H new ATOM 0 HA ALA A 98 35.132 24.927 25.719 1.00 0.00 H new ATOM 0 HB1 ALA A 98 37.104 23.698 24.848 1.00 0.00 H new ATOM 0 HB2 ALA A 98 36.822 23.336 26.567 1.00 0.00 H new ATOM 0 HB3 ALA A 98 36.347 22.158 25.320 1.00 0.00 H new ATOM 683 N ALA A 99 34.204 22.543 23.619 1.00 0.00 N ATOM 684 CA ALA A 99 33.663 22.281 22.297 1.00 0.00 C ATOM 685 C ALA A 99 32.495 23.215 22.016 1.00 0.00 C ATOM 686 O ALA A 99 32.473 23.881 20.983 1.00 0.00 O ATOM 687 CB ALA A 99 33.217 20.825 22.203 1.00 0.00 C ATOM 0 H ALA A 99 34.332 21.704 24.185 1.00 0.00 H new ATOM 0 HA ALA A 99 34.436 22.461 21.550 1.00 0.00 H new ATOM 0 HB1 ALA A 99 32.812 20.632 21.210 1.00 0.00 H new ATOM 0 HB2 ALA A 99 34.071 20.171 22.380 1.00 0.00 H new ATOM 0 HB3 ALA A 99 32.450 20.630 22.952 1.00 0.00 H new ATOM 690 N ASN A 100 31.530 23.262 22.940 1.00 0.00 N ATOM 691 CA ASN A 100 30.381 24.137 22.809 1.00 0.00 C ATOM 692 C ASN A 100 30.874 25.558 22.582 1.00 0.00 C ATOM 693 O ASN A 100 30.363 26.265 21.716 1.00 0.00 O ATOM 694 CB ASN A 100 29.529 24.051 24.073 1.00 0.00 C ATOM 0 H ASN A 100 31.531 22.697 23.789 1.00 0.00 H new ATOM 0 HA ASN A 100 29.766 23.835 21.962 1.00 0.00 H new ATOM 697 N ALA A 101 31.884 25.967 23.353 1.00 0.00 N ATOM 698 CA ALA A 101 32.467 27.285 23.211 1.00 0.00 C ATOM 699 C ALA A 101 33.233 27.328 21.897 1.00 0.00 C ATOM 700 O ALA A 101 32.631 27.474 20.836 1.00 0.00 O ATOM 701 CB ALA A 101 33.386 27.572 24.395 1.00 0.00 C ATOM 0 H ALA A 101 32.310 25.395 24.082 1.00 0.00 H new ATOM 0 HA ALA A 101 31.691 28.051 23.200 1.00 0.00 H new ATOM 0 HB1 ALA A 101 33.823 28.565 24.284 1.00 0.00 H new ATOM 0 HB2 ALA A 101 32.811 27.529 25.320 1.00 0.00 H new ATOM 0 HB3 ALA A 101 34.181 26.827 24.427 1.00 0.00 H new ATOM 704 N GLY A 102 34.561 27.200 21.961 1.00 0.00 N ATOM 705 CA GLY A 102 35.397 27.211 20.777 1.00 0.00 C ATOM 706 C GLY A 102 36.840 27.477 21.185 1.00 0.00 C ATOM 707 O GLY A 102 37.196 27.303 22.349 1.00 0.00 O ATOM 0 H GLY A 102 35.076 27.087 22.834 1.00 0.00 H new ATOM 0 HA2 GLY A 102 35.324 26.256 20.257 1.00 0.00 H new ATOM 0 HA3 GLY A 102 35.055 27.979 20.083 1.00 0.00 H new ATOM 711 N ASP A 103 37.663 27.905 20.224 1.00 0.00 N ATOM 712 CA ASP A 103 39.058 28.221 20.474 1.00 0.00 C ATOM 713 C ASP A 103 39.902 26.967 20.665 1.00 0.00 C ATOM 714 O ASP A 103 39.560 26.081 21.449 1.00 0.00 O ATOM 715 CB ASP A 103 39.173 29.146 21.683 1.00 0.00 C ATOM 0 H ASP A 103 37.375 28.040 19.255 1.00 0.00 H new ATOM 0 HA ASP A 103 39.449 28.734 19.595 1.00 0.00 H new ATOM 718 N GLY A 104 41.028 26.910 19.949 1.00 0.00 N ATOM 719 CA GLY A 104 41.940 25.790 20.038 1.00 0.00 C ATOM 720 C GLY A 104 42.751 25.883 21.325 1.00 0.00 C ATOM 721 O GLY A 104 43.518 24.974 21.638 1.00 0.00 O ATOM 0 H GLY A 104 41.323 27.638 19.299 1.00 0.00 H new ATOM 0 HA2 GLY A 104 41.383 24.853 20.016 1.00 0.00 H new ATOM 0 HA3 GLY A 104 42.608 25.784 19.177 1.00 0.00 H new ATOM 725 N ALA A 105 42.575 26.975 22.077 1.00 0.00 N ATOM 726 CA ALA A 105 43.276 27.169 23.328 1.00 0.00 C ATOM 727 C ALA A 105 42.566 26.330 24.376 1.00 0.00 C ATOM 728 O ALA A 105 43.198 25.571 25.105 1.00 0.00 O ATOM 729 CB ALA A 105 43.252 28.647 23.703 1.00 0.00 C ATOM 0 H ALA A 105 41.945 27.738 21.828 1.00 0.00 H new ATOM 0 HA ALA A 105 44.320 26.864 23.251 1.00 0.00 H new ATOM 0 HB1 ALA A 105 43.780 28.792 24.645 1.00 0.00 H new ATOM 0 HB2 ALA A 105 43.739 29.229 22.921 1.00 0.00 H new ATOM 0 HB3 ALA A 105 42.219 28.978 23.811 1.00 0.00 H new ATOM 732 N ALA A 106 41.240 26.468 24.438 1.00 0.00 N ATOM 733 CA ALA A 106 40.431 25.710 25.368 1.00 0.00 C ATOM 734 C ALA A 106 40.449 24.239 24.976 1.00 0.00 C ATOM 735 O ALA A 106 40.522 23.371 25.842 1.00 0.00 O ATOM 736 CB ALA A 106 39.006 26.254 25.359 1.00 0.00 C ATOM 0 H ALA A 106 40.709 27.106 23.845 1.00 0.00 H new ATOM 0 HA ALA A 106 40.835 25.805 26.376 1.00 0.00 H new ATOM 0 HB1 ALA A 106 38.395 25.684 26.059 1.00 0.00 H new ATOM 0 HB2 ALA A 106 39.015 27.303 25.655 1.00 0.00 H new ATOM 0 HB3 ALA A 106 38.589 26.164 24.356 1.00 0.00 H new ATOM 739 N PHE A 107 40.392 23.955 23.670 1.00 0.00 N ATOM 740 CA PHE A 107 40.400 22.587 23.187 1.00 0.00 C ATOM 741 C PHE A 107 41.801 21.990 23.274 1.00 0.00 C ATOM 742 O PHE A 107 41.951 20.771 23.333 1.00 0.00 O ATOM 743 CB PHE A 107 39.896 22.560 21.747 1.00 0.00 C ATOM 0 H PHE A 107 40.340 24.661 22.936 1.00 0.00 H new ATOM 0 HA PHE A 107 39.742 21.984 23.813 1.00 0.00 H new ATOM 746 N GLY A 108 42.822 22.850 23.275 1.00 0.00 N ATOM 747 CA GLY A 108 44.205 22.412 23.353 1.00 0.00 C ATOM 748 C GLY A 108 44.569 22.105 24.801 1.00 0.00 C ATOM 749 O GLY A 108 44.966 20.990 25.139 1.00 0.00 O ATOM 0 H GLY A 108 42.708 23.862 23.222 1.00 0.00 H new ATOM 0 HA2 GLY A 108 44.350 21.525 22.736 1.00 0.00 H new ATOM 0 HA3 GLY A 108 44.864 23.186 22.959 1.00 0.00 H new ATOM 753 N ALA A 109 44.408 23.118 25.654 1.00 0.00 N ATOM 754 CA ALA A 109 44.724 22.993 27.062 1.00 0.00 C ATOM 755 C ALA A 109 43.729 22.026 27.676 1.00 0.00 C ATOM 756 O ALA A 109 44.100 21.146 28.449 1.00 0.00 O ATOM 757 CB ALA A 109 44.639 24.363 27.728 1.00 0.00 C ATOM 0 H ALA A 109 44.058 24.037 25.383 1.00 0.00 H new ATOM 0 HA ALA A 109 45.736 22.615 27.205 1.00 0.00 H new ATOM 0 HB1 ALA A 109 44.877 24.268 28.787 1.00 0.00 H new ATOM 0 HB2 ALA A 109 45.349 25.042 27.256 1.00 0.00 H new ATOM 0 HB3 ALA A 109 43.630 24.760 27.617 1.00 0.00 H new ATOM 760 N ALA A 110 42.457 22.191 27.309 1.00 0.00 N ATOM 761 CA ALA A 110 41.402 21.332 27.796 1.00 0.00 C ATOM 762 C ALA A 110 41.661 19.900 27.349 1.00 0.00 C ATOM 763 O ALA A 110 41.661 18.987 28.172 1.00 0.00 O ATOM 764 CB ALA A 110 40.059 21.829 27.268 1.00 0.00 C ATOM 0 H ALA A 110 42.141 22.921 26.670 1.00 0.00 H new ATOM 0 HA ALA A 110 41.379 21.355 28.886 1.00 0.00 H new ATOM 0 HB1 ALA A 110 39.262 21.182 27.634 1.00 0.00 H new ATOM 0 HB2 ALA A 110 39.887 22.848 27.614 1.00 0.00 H new ATOM 0 HB3 ALA A 110 40.068 21.812 26.178 1.00 0.00 H new ATOM 767 N LEU A 111 41.885 19.699 26.047 1.00 0.00 N ATOM 768 CA LEU A 111 42.119 18.386 25.485 1.00 0.00 C ATOM 769 C LEU A 111 43.379 17.720 26.021 1.00 0.00 C ATOM 770 O LEU A 111 43.460 16.493 26.011 1.00 0.00 O ATOM 771 CB LEU A 111 42.194 18.505 23.965 1.00 0.00 C ATOM 0 H LEU A 111 41.907 20.452 25.359 1.00 0.00 H new ATOM 0 HA LEU A 111 41.287 17.748 25.782 1.00 0.00 H new ATOM 774 N GLN A 112 44.361 18.489 26.503 1.00 0.00 N ATOM 775 CA GLN A 112 45.591 17.927 27.027 1.00 0.00 C ATOM 776 C GLN A 112 45.303 17.440 28.436 1.00 0.00 C ATOM 777 O GLN A 112 45.833 16.419 28.867 1.00 0.00 O ATOM 778 CB GLN A 112 46.676 19.000 27.036 1.00 0.00 C ATOM 0 H GLN A 112 44.318 19.508 26.537 1.00 0.00 H new ATOM 0 HA GLN A 112 45.942 17.099 26.411 1.00 0.00 H new ATOM 781 N LYS A 113 44.445 18.177 29.144 1.00 0.00 N ATOM 782 CA LYS A 113 44.047 17.798 30.482 1.00 0.00 C ATOM 783 C LYS A 113 43.426 16.412 30.384 1.00 0.00 C ATOM 784 O LYS A 113 43.736 15.524 31.176 1.00 0.00 O ATOM 785 CB LYS A 113 43.044 18.811 31.025 1.00 0.00 C ATOM 0 H LYS A 113 44.018 19.039 28.804 1.00 0.00 H new ATOM 0 HA LYS A 113 44.897 17.781 31.164 1.00 0.00 H new ATOM 788 N LEU A 114 42.557 16.234 29.385 1.00 0.00 N ATOM 789 CA LEU A 114 41.896 14.968 29.143 1.00 0.00 C ATOM 790 C LEU A 114 42.916 13.935 28.684 1.00 0.00 C ATOM 791 O LEU A 114 42.760 12.745 28.951 1.00 0.00 O ATOM 792 CB LEU A 114 40.829 15.164 28.070 1.00 0.00 C ATOM 0 H LEU A 114 42.298 16.969 28.727 1.00 0.00 H new ATOM 0 HA LEU A 114 41.428 14.613 30.061 1.00 0.00 H new ATOM 795 N GLY A 115 43.964 14.394 27.996 1.00 0.00 N ATOM 796 CA GLY A 115 44.997 13.511 27.493 1.00 0.00 C ATOM 797 C GLY A 115 45.856 12.978 28.632 1.00 0.00 C ATOM 798 O GLY A 115 46.246 11.812 28.623 1.00 0.00 O ATOM 0 H GLY A 115 44.112 15.379 27.778 1.00 0.00 H new ATOM 0 HA2 GLY A 115 44.541 12.679 26.956 1.00 0.00 H new ATOM 0 HA3 GLY A 115 45.623 14.046 26.779 1.00 0.00 H new ATOM 802 N GLY A 116 46.145 13.831 29.618 1.00 0.00 N ATOM 803 CA GLY A 116 46.965 13.452 30.751 1.00 0.00 C ATOM 804 C GLY A 116 46.184 12.555 31.699 1.00 0.00 C ATOM 805 O GLY A 116 46.766 11.706 32.370 1.00 0.00 O ATOM 0 H GLY A 116 45.815 14.796 29.646 1.00 0.00 H new ATOM 0 HA2 GLY A 116 47.858 12.933 30.403 1.00 0.00 H new ATOM 0 HA3 GLY A 116 47.300 14.345 31.279 1.00 0.00 H new ATOM 809 N THR A 117 44.862 12.736 31.750 1.00 0.00 N ATOM 810 CA THR A 117 44.019 11.939 32.616 1.00 0.00 C ATOM 811 C THR A 117 43.973 10.507 32.101 1.00 0.00 C ATOM 812 O THR A 117 44.254 9.568 32.842 1.00 0.00 O ATOM 813 CB THR A 117 42.618 12.544 32.659 1.00 0.00 C ATOM 0 H THR A 117 44.361 13.431 31.197 1.00 0.00 H new ATOM 0 HA THR A 117 44.426 11.932 33.627 1.00 0.00 H new ATOM 816 N CYS A 118 43.624 10.345 30.823 1.00 0.00 N ATOM 817 CA CYS A 118 43.541 9.035 30.209 1.00 0.00 C ATOM 818 C CYS A 118 44.928 8.413 30.114 1.00 0.00 C ATOM 819 O CYS A 118 45.120 7.264 30.506 1.00 0.00 O ATOM 820 CB CYS A 118 42.913 9.164 28.825 1.00 0.00 C ATOM 0 H CYS A 118 43.394 11.116 30.196 1.00 0.00 H new ATOM 0 HA CYS A 118 42.917 8.384 30.822 1.00 0.00 H new ATOM 823 N LYS A 119 45.894 9.174 29.593 1.00 0.00 N ATOM 824 CA LYS A 119 47.254 8.697 29.442 1.00 0.00 C ATOM 825 C LYS A 119 47.789 8.191 30.774 1.00 0.00 C ATOM 826 O LYS A 119 48.179 7.031 30.880 1.00 0.00 O ATOM 827 CB LYS A 119 48.129 9.826 28.904 1.00 0.00 C ATOM 0 H LYS A 119 45.748 10.130 29.269 1.00 0.00 H new ATOM 0 HA LYS A 119 47.269 7.867 28.736 1.00 0.00 H new ATOM 830 N ALA A 120 47.812 9.067 31.782 1.00 0.00 N ATOM 831 CA ALA A 120 48.298 8.715 33.104 1.00 0.00 C ATOM 832 C ALA A 120 47.596 7.461 33.609 1.00 0.00 C ATOM 833 O ALA A 120 48.214 6.624 34.263 1.00 0.00 O ATOM 834 CB ALA A 120 48.064 9.883 34.057 1.00 0.00 C ATOM 0 H ALA A 120 47.495 10.033 31.698 1.00 0.00 H new ATOM 0 HA ALA A 120 49.367 8.507 33.053 1.00 0.00 H new ATOM 0 HB1 ALA A 120 48.428 9.621 35.050 1.00 0.00 H new ATOM 0 HB2 ALA A 120 48.599 10.761 33.695 1.00 0.00 H new ATOM 0 HB3 ALA A 120 46.998 10.103 34.108 1.00 0.00 H new ATOM 837 N CYS A 121 46.305 7.331 33.297 1.00 0.00 N ATOM 838 CA CYS A 121 45.530 6.180 33.716 1.00 0.00 C ATOM 839 C CYS A 121 46.197 4.896 33.240 1.00 0.00 C ATOM 840 O CYS A 121 46.425 3.984 34.032 1.00 0.00 O ATOM 841 CB CYS A 121 44.115 6.293 33.155 1.00 0.00 C ATOM 0 H CYS A 121 45.780 8.016 32.753 1.00 0.00 H new ATOM 0 HA CYS A 121 45.479 6.152 34.804 1.00 0.00 H new ATOM 844 N HIS A 122 46.511 4.827 31.944 1.00 0.00 N ATOM 845 CA HIS A 122 47.138 3.654 31.366 1.00 0.00 C ATOM 846 C HIS A 122 48.584 3.535 31.828 1.00 0.00 C ATOM 847 O HIS A 122 48.997 2.479 32.303 1.00 0.00 O ATOM 848 CB HIS A 122 47.069 3.743 29.844 1.00 0.00 C ATOM 0 H HIS A 122 46.336 5.579 31.278 1.00 0.00 H new ATOM 0 HA HIS A 122 46.605 2.763 31.699 1.00 0.00 H new ATOM 851 N ASP A 123 49.350 4.620 31.681 1.00 0.00 N ATOM 852 CA ASP A 123 50.747 4.645 32.071 1.00 0.00 C ATOM 853 C ASP A 123 50.904 4.179 33.512 1.00 0.00 C ATOM 854 O ASP A 123 51.861 3.480 33.839 1.00 0.00 O ATOM 855 CB ASP A 123 51.291 6.060 31.903 1.00 0.00 C ATOM 0 H ASP A 123 49.013 5.499 31.289 1.00 0.00 H new ATOM 0 HA ASP A 123 51.313 3.966 31.433 1.00 0.00 H new ATOM 858 N ASP A 124 49.957 4.558 34.372 1.00 0.00 N ATOM 859 CA ASP A 124 49.993 4.176 35.768 1.00 0.00 C ATOM 860 C ASP A 124 49.581 2.717 35.908 1.00 0.00 C ATOM 861 O ASP A 124 50.278 1.931 36.546 1.00 0.00 O ATOM 862 CB ASP A 124 49.059 5.080 36.567 1.00 0.00 C ATOM 0 H ASP A 124 49.154 5.133 34.115 1.00 0.00 H new ATOM 0 HA ASP A 124 51.005 4.290 36.157 1.00 0.00 H new ATOM 865 N TYR A 125 48.447 2.357 35.302 1.00 0.00 N ATOM 866 CA TYR A 125 47.945 0.999 35.360 1.00 0.00 C ATOM 867 C TYR A 125 48.836 0.078 34.538 1.00 0.00 C ATOM 868 O TYR A 125 49.469 -0.824 35.081 1.00 0.00 O ATOM 869 CB TYR A 125 46.511 0.967 34.839 1.00 0.00 C ATOM 0 H TYR A 125 47.863 2.998 34.765 1.00 0.00 H new ATOM 0 HA TYR A 125 47.954 0.650 36.393 1.00 0.00 H new ATOM 872 N ARG A 126 48.880 0.306 33.223 1.00 0.00 N ATOM 873 CA ARG A 126 49.686 -0.505 32.332 1.00 0.00 C ATOM 874 C ARG A 126 51.136 -0.501 32.793 1.00 0.00 C ATOM 875 O ARG A 126 51.634 -1.507 33.293 1.00 0.00 O ATOM 876 CB ARG A 126 49.568 0.032 30.909 1.00 0.00 C ATOM 0 H ARG A 126 48.361 1.051 32.758 1.00 0.00 H new ATOM 0 HA ARG A 126 49.326 -1.534 32.349 1.00 0.00 H new ATOM 879 N GLU A 127 51.818 0.634 32.616 1.00 0.00 N ATOM 880 CA GLU A 127 53.206 0.762 33.011 1.00 0.00 C ATOM 881 C GLU A 127 54.066 -0.190 32.190 1.00 0.00 C ATOM 882 O GLU A 127 53.551 -0.931 31.355 1.00 0.00 O ATOM 883 CB GLU A 127 53.341 0.464 34.501 1.00 0.00 C ATOM 0 H GLU A 127 51.421 1.476 32.199 1.00 0.00 H new ATOM 0 HA GLU A 127 53.548 1.780 32.826 1.00 0.00 H new ATOM 886 N GLU A 128 55.379 -0.167 32.429 1.00 0.00 N ATOM 887 CA GLU A 128 56.302 -1.025 31.714 1.00 0.00 C ATOM 888 C GLU A 128 57.732 -0.696 32.118 1.00 0.00 C ATOM 889 O GLU A 128 58.427 -1.535 32.686 1.00 0.00 O ATOM 890 CB GLU A 128 56.109 -0.840 30.211 1.00 0.00 C ATOM 0 H GLU A 128 55.820 0.443 33.117 1.00 0.00 H new ATOM 0 HA GLU A 128 56.105 -2.067 31.967 1.00 0.00 H new ATOM 893 N ASP A 129 58.169 0.530 31.822 1.00 0.00 N ATOM 894 CA ASP A 129 59.511 0.965 32.155 1.00 0.00 C ATOM 895 C ASP A 129 59.753 2.360 31.596 1.00 0.00 C ATOM 896 O ASP A 129 59.661 2.499 30.357 1.00 0.00 O ATOM 897 CB ASP A 129 60.522 -0.028 31.588 1.00 0.00 C ATOM 0 H ASP A 129 57.604 1.236 31.350 1.00 0.00 H new ATOM 0 HA ASP A 129 59.628 1.003 33.238 1.00 0.00 H new TER 900 ASP A 129 HETATM 901 FE HEM A 130 43.049 4.041 28.849 1.00 0.00 FE