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 39.869 -18.033 21.063 1.00 0.00 N ATOM 2 CA ALA A 1 39.481 -18.875 22.177 1.00 0.00 C ATOM 3 C ALA A 1 38.874 -18.010 23.272 1.00 0.00 C ATOM 4 O ALA A 1 37.721 -18.203 23.651 1.00 0.00 O ATOM 5 CB ALA A 1 38.481 -19.921 21.694 1.00 0.00 C ATOM 0 H1 ALA A 1 40.284 -18.620 20.312 1.00 0.00 H new ATOM 0 H2 ALA A 1 39.032 -17.539 20.693 1.00 0.00 H new ATOM 0 H3 ALA A 1 40.570 -17.334 21.383 1.00 0.00 H new ATOM 0 HA ALA A 1 40.353 -19.389 22.582 1.00 0.00 H new ATOM 0 HB1 ALA A 1 38.187 -20.556 22.529 1.00 0.00 H new ATOM 0 HB2 ALA A 1 37.600 -19.423 21.289 1.00 0.00 H new ATOM 0 HB3 ALA A 1 38.941 -20.532 20.918 1.00 0.00 H new ATOM 7 N ASP A 2 39.655 -17.053 23.781 1.00 0.00 N ATOM 8 CA ASP A 2 39.193 -16.165 24.828 1.00 0.00 C ATOM 9 C ASP A 2 38.027 -15.330 24.318 1.00 0.00 C ATOM 10 O ASP A 2 36.933 -15.385 24.874 1.00 0.00 O ATOM 11 CB ASP A 2 40.344 -15.269 25.278 1.00 0.00 C ATOM 0 H ASP A 2 40.613 -16.881 23.477 1.00 0.00 H new ATOM 0 HA ASP A 2 38.850 -16.749 25.682 1.00 0.00 H new ATOM 14 N THR A 3 38.266 -14.559 23.254 1.00 0.00 N ATOM 15 CA THR A 3 37.242 -13.715 22.669 1.00 0.00 C ATOM 16 C THR A 3 36.644 -12.803 23.730 1.00 0.00 C ATOM 17 O THR A 3 35.427 -12.749 23.890 1.00 0.00 O ATOM 18 CB THR A 3 36.163 -14.590 22.038 1.00 0.00 C ATOM 0 H THR A 3 39.169 -14.508 22.783 1.00 0.00 H new ATOM 0 HA THR A 3 37.686 -13.089 21.895 1.00 0.00 H new ATOM 21 N LYS A 4 37.503 -12.086 24.459 1.00 0.00 N ATOM 22 CA LYS A 4 37.057 -11.180 25.498 1.00 0.00 C ATOM 23 C LYS A 4 36.074 -10.173 24.921 1.00 0.00 C ATOM 24 O LYS A 4 36.480 -9.173 24.334 1.00 0.00 O ATOM 25 CB LYS A 4 38.266 -10.469 26.101 1.00 0.00 C ATOM 0 H LYS A 4 38.515 -12.122 24.341 1.00 0.00 H new ATOM 0 HA LYS A 4 36.550 -11.742 26.282 1.00 0.00 H new ATOM 28 N GLU A 5 34.776 -10.436 25.093 1.00 0.00 N ATOM 29 CA GLU A 5 33.742 -9.552 24.594 1.00 0.00 C ATOM 30 C GLU A 5 33.712 -8.272 25.418 1.00 0.00 C ATOM 31 O GLU A 5 33.787 -7.175 24.868 1.00 0.00 O ATOM 32 CB GLU A 5 32.394 -10.265 24.656 1.00 0.00 C ATOM 0 H GLU A 5 34.424 -11.261 25.578 1.00 0.00 H new ATOM 0 HA GLU A 5 33.954 -9.287 23.558 1.00 0.00 H new ATOM 35 N VAL A 6 33.605 -8.415 26.741 1.00 0.00 N ATOM 36 CA VAL A 6 33.562 -7.276 27.637 1.00 0.00 C ATOM 37 C VAL A 6 34.841 -6.462 27.513 1.00 0.00 C ATOM 38 O VAL A 6 34.799 -5.234 27.536 1.00 0.00 O ATOM 39 CB VAL A 6 33.367 -7.765 29.070 1.00 0.00 C ATOM 0 H VAL A 6 33.547 -9.319 27.210 1.00 0.00 H new ATOM 0 HA VAL A 6 32.725 -6.632 27.367 1.00 0.00 H new ATOM 42 N LEU A 7 35.981 -7.144 27.372 1.00 0.00 N ATOM 43 CA LEU A 7 37.256 -6.469 27.238 1.00 0.00 C ATOM 44 C LEU A 7 37.318 -5.801 25.874 1.00 0.00 C ATOM 45 O LEU A 7 37.679 -4.633 25.776 1.00 0.00 O ATOM 46 CB LEU A 7 38.388 -7.479 27.403 1.00 0.00 C ATOM 0 H LEU A 7 36.038 -8.162 27.349 1.00 0.00 H new ATOM 0 HA LEU A 7 37.364 -5.707 28.010 1.00 0.00 H new ATOM 49 N GLU A 8 36.969 -6.558 24.831 1.00 0.00 N ATOM 50 CA GLU A 8 36.966 -6.053 23.469 1.00 0.00 C ATOM 51 C GLU A 8 36.182 -4.750 23.379 1.00 0.00 C ATOM 52 O GLU A 8 36.646 -3.782 22.778 1.00 0.00 O ATOM 53 CB GLU A 8 36.374 -7.107 22.538 1.00 0.00 C ATOM 0 H GLU A 8 36.683 -7.534 24.913 1.00 0.00 H new ATOM 0 HA GLU A 8 37.991 -5.845 23.163 1.00 0.00 H new ATOM 56 N ALA A 9 34.996 -4.712 23.991 1.00 0.00 N ATOM 57 CA ALA A 9 34.177 -3.521 23.981 1.00 0.00 C ATOM 58 C ALA A 9 34.980 -2.429 24.658 1.00 0.00 C ATOM 59 O ALA A 9 35.025 -1.297 24.183 1.00 0.00 O ATOM 60 CB ALA A 9 32.868 -3.785 24.718 1.00 0.00 C ATOM 0 H ALA A 9 34.590 -5.499 24.497 1.00 0.00 H new ATOM 0 HA ALA A 9 33.919 -3.221 22.965 1.00 0.00 H new ATOM 0 HB1 ALA A 9 32.256 -2.883 24.707 1.00 0.00 H new ATOM 0 HB2 ALA A 9 32.330 -4.595 24.225 1.00 0.00 H new ATOM 0 HB3 ALA A 9 33.081 -4.066 25.749 1.00 0.00 H new ATOM 63 N ARG A 10 35.636 -2.783 25.765 1.00 0.00 N ATOM 64 CA ARG A 10 36.474 -1.849 26.482 1.00 0.00 C ATOM 65 C ARG A 10 37.565 -1.362 25.540 1.00 0.00 C ATOM 66 O ARG A 10 37.999 -0.216 25.636 1.00 0.00 O ATOM 67 CB ARG A 10 37.076 -2.539 27.703 1.00 0.00 C ATOM 0 H ARG A 10 35.596 -3.715 26.177 1.00 0.00 H new ATOM 0 HA ARG A 10 35.891 -0.995 26.828 1.00 0.00 H new ATOM 70 N GLU A 11 38.000 -2.226 24.617 1.00 0.00 N ATOM 71 CA GLU A 11 39.027 -1.854 23.667 1.00 0.00 C ATOM 72 C GLU A 11 38.486 -0.695 22.850 1.00 0.00 C ATOM 73 O GLU A 11 39.210 0.245 22.528 1.00 0.00 O ATOM 74 CB GLU A 11 39.357 -3.047 22.775 1.00 0.00 C ATOM 0 H GLU A 11 37.653 -3.180 24.516 1.00 0.00 H new ATOM 0 HA GLU A 11 39.946 -1.556 24.172 1.00 0.00 H new ATOM 77 N ALA A 12 37.193 -0.769 22.534 1.00 0.00 N ATOM 78 CA ALA A 12 36.522 0.262 21.766 1.00 0.00 C ATOM 79 C ALA A 12 36.462 1.537 22.594 1.00 0.00 C ATOM 80 O ALA A 12 36.719 2.627 22.087 1.00 0.00 O ATOM 81 CB ALA A 12 35.115 -0.211 21.411 1.00 0.00 C ATOM 0 H ALA A 12 36.589 -1.545 22.805 1.00 0.00 H new ATOM 0 HA ALA A 12 37.068 0.462 20.844 1.00 0.00 H new ATOM 0 HB1 ALA A 12 34.607 0.561 20.833 1.00 0.00 H new ATOM 0 HB2 ALA A 12 35.177 -1.125 20.820 1.00 0.00 H new ATOM 0 HB3 ALA A 12 34.556 -0.407 22.326 1.00 0.00 H new ATOM 84 N TYR A 13 36.129 1.390 23.879 1.00 0.00 N ATOM 85 CA TYR A 13 36.039 2.518 24.783 1.00 0.00 C ATOM 86 C TYR A 13 37.391 3.212 24.863 1.00 0.00 C ATOM 87 O TYR A 13 37.462 4.405 25.155 1.00 0.00 O ATOM 88 CB TYR A 13 35.600 2.030 26.161 1.00 0.00 C ATOM 0 H TYR A 13 35.918 0.490 24.310 1.00 0.00 H new ATOM 0 HA TYR A 13 35.302 3.232 24.415 1.00 0.00 H new ATOM 91 N PHE A 14 38.463 2.465 24.583 1.00 0.00 N ATOM 92 CA PHE A 14 39.808 3.002 24.617 1.00 0.00 C ATOM 93 C PHE A 14 40.050 3.777 23.331 1.00 0.00 C ATOM 94 O PHE A 14 40.700 4.820 23.344 1.00 0.00 O ATOM 95 CB PHE A 14 40.807 1.857 24.755 1.00 0.00 C ATOM 0 H PHE A 14 38.414 1.478 24.329 1.00 0.00 H new ATOM 0 HA PHE A 14 39.933 3.671 25.469 1.00 0.00 H new ATOM 98 N LYS A 15 39.513 3.265 22.221 1.00 0.00 N ATOM 99 CA LYS A 15 39.649 3.913 20.933 1.00 0.00 C ATOM 100 C LYS A 15 38.809 5.181 20.935 1.00 0.00 C ATOM 101 O LYS A 15 39.128 6.143 20.240 1.00 0.00 O ATOM 102 CB LYS A 15 39.192 2.959 19.833 1.00 0.00 C ATOM 0 H LYS A 15 38.978 2.397 22.199 1.00 0.00 H new ATOM 0 HA LYS A 15 40.690 4.176 20.746 1.00 0.00 H new ATOM 105 N SER A 16 37.735 5.178 21.727 1.00 0.00 N ATOM 106 CA SER A 16 36.858 6.326 21.835 1.00 0.00 C ATOM 107 C SER A 16 37.599 7.460 22.530 1.00 0.00 C ATOM 108 O SER A 16 37.887 8.484 21.915 1.00 0.00 O ATOM 109 CB SER A 16 35.603 5.940 22.612 1.00 0.00 C ATOM 0 H SER A 16 37.458 4.383 22.303 1.00 0.00 H new ATOM 0 HA SER A 16 36.558 6.661 20.842 1.00 0.00 H new ATOM 112 N LEU A 17 37.907 7.276 23.817 1.00 0.00 N ATOM 113 CA LEU A 17 38.619 8.280 24.581 1.00 0.00 C ATOM 114 C LEU A 17 39.968 8.549 23.929 1.00 0.00 C ATOM 115 O LEU A 17 40.472 9.670 23.969 1.00 0.00 O ATOM 116 CB LEU A 17 38.801 7.792 26.016 1.00 0.00 C ATOM 0 H LEU A 17 37.670 6.436 24.344 1.00 0.00 H new ATOM 0 HA LEU A 17 38.048 9.208 24.598 1.00 0.00 H new ATOM 119 N GLY A 18 40.543 7.514 23.313 1.00 0.00 N ATOM 120 CA GLY A 18 41.823 7.625 22.648 1.00 0.00 C ATOM 121 C GLY A 18 41.664 8.403 21.350 1.00 0.00 C ATOM 122 O GLY A 18 42.626 8.986 20.856 1.00 0.00 O ATOM 0 H GLY A 18 40.129 6.583 23.267 1.00 0.00 H new ATOM 0 HA2 GLY A 18 42.539 8.128 23.299 1.00 0.00 H new ATOM 0 HA3 GLY A 18 42.223 6.632 22.441 1.00 0.00 H new ATOM 126 N GLY A 19 40.446 8.430 20.800 1.00 0.00 N ATOM 127 CA GLY A 19 40.179 9.143 19.568 1.00 0.00 C ATOM 128 C GLY A 19 40.091 10.628 19.881 1.00 0.00 C ATOM 129 O GLY A 19 40.612 11.459 19.139 1.00 0.00 O ATOM 0 H GLY A 19 39.633 7.961 21.198 1.00 0.00 H new ATOM 0 HA2 GLY A 19 40.970 8.955 18.842 1.00 0.00 H new ATOM 0 HA3 GLY A 19 39.248 8.794 19.122 1.00 0.00 H new ATOM 133 N SER A 20 39.437 10.951 20.999 1.00 0.00 N ATOM 134 CA SER A 20 39.311 12.328 21.429 1.00 0.00 C ATOM 135 C SER A 20 40.719 12.891 21.593 1.00 0.00 C ATOM 136 O SER A 20 41.020 13.958 21.067 1.00 0.00 O ATOM 137 CB SER A 20 38.549 12.380 22.750 1.00 0.00 C ATOM 0 H SER A 20 38.990 10.272 21.616 1.00 0.00 H new ATOM 0 HA SER A 20 38.759 12.920 20.698 1.00 0.00 H new ATOM 140 N MET A 21 41.584 12.163 22.311 1.00 0.00 N ATOM 141 CA MET A 21 42.960 12.559 22.553 1.00 0.00 C ATOM 142 C MET A 21 43.724 12.811 21.256 1.00 0.00 C ATOM 143 O MET A 21 44.444 13.798 21.139 1.00 0.00 O ATOM 144 CB MET A 21 43.654 11.465 23.360 1.00 0.00 C ATOM 0 H MET A 21 41.336 11.272 22.742 1.00 0.00 H new ATOM 0 HA MET A 21 42.951 13.497 23.108 1.00 0.00 H new ATOM 147 N LYS A 22 43.573 11.901 20.292 1.00 0.00 N ATOM 148 CA LYS A 22 44.254 12.019 19.012 1.00 0.00 C ATOM 149 C LYS A 22 43.786 13.284 18.301 1.00 0.00 C ATOM 150 O LYS A 22 44.576 14.184 18.026 1.00 0.00 O ATOM 151 CB LYS A 22 43.971 10.781 18.167 1.00 0.00 C ATOM 0 H LYS A 22 42.982 11.074 20.379 1.00 0.00 H new ATOM 0 HA LYS A 22 45.330 12.090 19.169 1.00 0.00 H new ATOM 154 N ALA A 23 42.487 13.333 18.012 1.00 0.00 N ATOM 155 CA ALA A 23 41.904 14.493 17.359 1.00 0.00 C ATOM 156 C ALA A 23 42.204 15.748 18.183 1.00 0.00 C ATOM 157 O ALA A 23 42.175 16.864 17.670 1.00 0.00 O ATOM 158 CB ALA A 23 40.400 14.286 17.206 1.00 0.00 C ATOM 0 H ALA A 23 41.825 12.585 18.220 1.00 0.00 H new ATOM 0 HA ALA A 23 42.338 14.621 16.367 1.00 0.00 H new ATOM 0 HB1 ALA A 23 39.961 15.155 16.716 1.00 0.00 H new ATOM 0 HB2 ALA A 23 40.215 13.397 16.603 1.00 0.00 H new ATOM 0 HB3 ALA A 23 39.949 14.157 18.190 1.00 0.00 H new ATOM 161 N MET A 24 42.512 15.536 19.465 1.00 0.00 N ATOM 162 CA MET A 24 42.800 16.612 20.394 1.00 0.00 C ATOM 163 C MET A 24 44.232 17.102 20.233 1.00 0.00 C ATOM 164 O MET A 24 44.487 18.302 20.277 1.00 0.00 O ATOM 165 CB MET A 24 42.570 16.134 21.825 1.00 0.00 C ATOM 0 H MET A 24 42.567 14.607 19.882 1.00 0.00 H new ATOM 0 HA MET A 24 42.129 17.443 20.177 1.00 0.00 H new ATOM 168 N THR A 25 45.165 16.163 20.064 1.00 0.00 N ATOM 169 CA THR A 25 46.573 16.484 19.941 1.00 0.00 C ATOM 170 C THR A 25 46.897 17.060 18.571 1.00 0.00 C ATOM 171 O THR A 25 47.761 17.928 18.457 1.00 0.00 O ATOM 172 CB THR A 25 47.398 15.227 20.202 1.00 0.00 C ATOM 0 H THR A 25 44.959 15.166 20.010 1.00 0.00 H new ATOM 0 HA THR A 25 46.822 17.247 20.679 1.00 0.00 H new ATOM 175 N GLY A 26 46.198 16.606 17.529 1.00 0.00 N ATOM 176 CA GLY A 26 46.435 17.088 16.184 1.00 0.00 C ATOM 177 C GLY A 26 45.764 18.445 16.069 1.00 0.00 C ATOM 178 O GLY A 26 46.367 19.405 15.594 1.00 0.00 O ATOM 0 H GLY A 26 45.463 15.903 17.600 1.00 0.00 H new ATOM 0 HA2 GLY A 26 47.504 17.169 15.987 1.00 0.00 H new ATOM 0 HA3 GLY A 26 46.028 16.394 15.449 1.00 0.00 H new ATOM 182 N VAL A 27 44.512 18.522 16.527 1.00 0.00 N ATOM 183 CA VAL A 27 43.784 19.770 16.519 1.00 0.00 C ATOM 184 C VAL A 27 44.550 20.742 17.403 1.00 0.00 C ATOM 185 O VAL A 27 44.654 21.926 17.095 1.00 0.00 O ATOM 186 CB VAL A 27 42.371 19.543 17.049 1.00 0.00 C ATOM 0 H VAL A 27 43.992 17.730 16.905 1.00 0.00 H new ATOM 0 HA VAL A 27 43.696 20.173 15.510 1.00 0.00 H new ATOM 189 N ALA A 28 45.111 20.233 18.501 1.00 0.00 N ATOM 190 CA ALA A 28 45.879 21.045 19.420 1.00 0.00 C ATOM 191 C ALA A 28 47.046 21.683 18.683 1.00 0.00 C ATOM 192 O ALA A 28 47.343 22.857 18.893 1.00 0.00 O ATOM 193 CB ALA A 28 46.377 20.173 20.569 1.00 0.00 C ATOM 0 H ALA A 28 45.041 19.251 18.769 1.00 0.00 H new ATOM 0 HA ALA A 28 45.253 21.838 19.828 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.956 20.782 21.263 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.525 19.738 21.091 1.00 0.00 H new ATOM 0 HB3 ALA A 28 47.006 19.375 20.174 1.00 0.00 H new ATOM 196 N LYS A 29 47.707 20.915 17.811 1.00 0.00 N ATOM 197 CA LYS A 29 48.835 21.420 17.054 1.00 0.00 C ATOM 198 C LYS A 29 48.355 22.336 15.935 1.00 0.00 C ATOM 199 O LYS A 29 48.509 23.552 16.029 1.00 0.00 O ATOM 200 CB LYS A 29 49.631 20.248 16.487 1.00 0.00 C ATOM 0 H LYS A 29 47.473 19.941 17.618 1.00 0.00 H new ATOM 0 HA LYS A 29 49.480 22.001 17.713 1.00 0.00 H new ATOM 203 N ALA A 30 47.779 21.742 14.882 1.00 0.00 N ATOM 204 CA ALA A 30 47.283 22.475 13.728 1.00 0.00 C ATOM 205 C ALA A 30 45.811 22.820 13.911 1.00 0.00 C ATOM 206 O ALA A 30 44.969 22.380 13.131 1.00 0.00 O ATOM 207 CB ALA A 30 47.470 21.618 12.480 1.00 0.00 C ATOM 0 H ALA A 30 47.647 20.733 14.814 1.00 0.00 H new ATOM 0 HA ALA A 30 47.841 23.406 13.622 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.101 22.159 11.609 1.00 0.00 H new ATOM 0 HB2 ALA A 30 48.529 21.395 12.347 1.00 0.00 H new ATOM 0 HB3 ALA A 30 46.914 20.687 12.591 1.00 0.00 H new ATOM 210 N PHE A 31 45.500 23.611 14.940 1.00 0.00 N ATOM 211 CA PHE A 31 44.132 24.005 15.218 1.00 0.00 C ATOM 212 C PHE A 31 43.624 24.993 14.180 1.00 0.00 C ATOM 213 O PHE A 31 44.313 25.299 13.209 1.00 0.00 O ATOM 214 CB PHE A 31 44.052 24.612 16.616 1.00 0.00 C ATOM 0 H PHE A 31 46.186 23.989 15.593 1.00 0.00 H new ATOM 0 HA PHE A 31 43.497 23.120 15.171 1.00 0.00 H new ATOM 217 N ASP A 32 42.403 25.486 14.399 1.00 0.00 N ATOM 218 CA ASP A 32 41.774 26.430 13.501 1.00 0.00 C ATOM 219 C ASP A 32 40.354 26.691 13.981 1.00 0.00 C ATOM 220 O ASP A 32 40.025 27.816 14.351 1.00 0.00 O ATOM 221 CB ASP A 32 41.775 25.866 12.083 1.00 0.00 C ATOM 0 H ASP A 32 41.831 25.236 15.206 1.00 0.00 H new ATOM 0 HA ASP A 32 42.325 27.371 13.493 1.00 0.00 H new ATOM 224 N ALA A 33 39.525 25.642 13.985 1.00 0.00 N ATOM 225 CA ALA A 33 38.143 25.733 14.418 1.00 0.00 C ATOM 226 C ALA A 33 37.410 24.452 14.041 1.00 0.00 C ATOM 227 O ALA A 33 36.726 23.853 14.869 1.00 0.00 O ATOM 228 CB ALA A 33 37.467 26.931 13.757 1.00 0.00 C ATOM 0 H ALA A 33 39.803 24.707 13.686 1.00 0.00 H new ATOM 0 HA ALA A 33 38.112 25.864 15.500 1.00 0.00 H new ATOM 0 HB1 ALA A 33 36.430 26.992 14.088 1.00 0.00 H new ATOM 0 HB2 ALA A 33 37.991 27.845 14.037 1.00 0.00 H new ATOM 0 HB3 ALA A 33 37.496 26.813 12.674 1.00 0.00 H new ATOM 231 N GLU A 34 37.565 24.033 12.783 1.00 0.00 N ATOM 232 CA GLU A 34 36.909 22.846 12.272 1.00 0.00 C ATOM 233 C GLU A 34 37.363 21.594 13.010 1.00 0.00 C ATOM 234 O GLU A 34 36.533 20.793 13.432 1.00 0.00 O ATOM 235 CB GLU A 34 37.196 22.719 10.779 1.00 0.00 C ATOM 0 H GLU A 34 38.149 24.512 12.098 1.00 0.00 H new ATOM 0 HA GLU A 34 35.836 22.945 12.434 1.00 0.00 H new ATOM 238 N ALA A 35 38.678 21.417 13.167 1.00 0.00 N ATOM 239 CA ALA A 35 39.223 20.249 13.829 1.00 0.00 C ATOM 240 C ALA A 35 38.712 20.143 15.259 1.00 0.00 C ATOM 241 O ALA A 35 38.180 19.104 15.644 1.00 0.00 O ATOM 242 CB ALA A 35 40.747 20.324 13.809 1.00 0.00 C ATOM 0 H ALA A 35 39.382 22.078 12.839 1.00 0.00 H new ATOM 0 HA ALA A 35 38.897 19.356 13.296 1.00 0.00 H new ATOM 0 HB1 ALA A 35 41.161 19.447 14.306 1.00 0.00 H new ATOM 0 HB2 ALA A 35 41.096 20.355 12.777 1.00 0.00 H new ATOM 0 HB3 ALA A 35 41.074 21.224 14.330 1.00 0.00 H new ATOM 245 N ALA A 36 38.888 21.213 16.041 1.00 0.00 N ATOM 246 CA ALA A 36 38.462 21.250 17.428 1.00 0.00 C ATOM 247 C ALA A 36 37.022 20.779 17.578 1.00 0.00 C ATOM 248 O ALA A 36 36.747 19.888 18.378 1.00 0.00 O ATOM 249 CB ALA A 36 38.620 22.670 17.964 1.00 0.00 C ATOM 0 H ALA A 36 39.331 22.075 15.722 1.00 0.00 H new ATOM 0 HA ALA A 36 39.088 20.570 18.005 1.00 0.00 H new ATOM 0 HB1 ALA A 36 38.301 22.703 19.006 1.00 0.00 H new ATOM 0 HB2 ALA A 36 39.665 22.971 17.895 1.00 0.00 H new ATOM 0 HB3 ALA A 36 38.006 23.352 17.375 1.00 0.00 H new ATOM 252 N LYS A 37 36.106 21.378 16.812 1.00 0.00 N ATOM 253 CA LYS A 37 34.704 21.011 16.865 1.00 0.00 C ATOM 254 C LYS A 37 34.533 19.511 16.661 1.00 0.00 C ATOM 255 O LYS A 37 33.808 18.860 17.411 1.00 0.00 O ATOM 256 CB LYS A 37 33.939 21.789 15.798 1.00 0.00 C ATOM 0 H LYS A 37 36.320 22.122 16.148 1.00 0.00 H new ATOM 0 HA LYS A 37 34.305 21.262 17.848 1.00 0.00 H new ATOM 259 N VAL A 38 35.206 18.962 15.648 1.00 0.00 N ATOM 260 CA VAL A 38 35.121 17.546 15.342 1.00 0.00 C ATOM 261 C VAL A 38 35.657 16.706 16.494 1.00 0.00 C ATOM 262 O VAL A 38 35.099 15.655 16.818 1.00 0.00 O ATOM 263 CB VAL A 38 35.902 17.261 14.063 1.00 0.00 C ATOM 0 H VAL A 38 35.819 19.488 15.025 1.00 0.00 H new ATOM 0 HA VAL A 38 34.075 17.277 15.196 1.00 0.00 H new ATOM 266 N GLU A 39 36.728 17.170 17.143 1.00 0.00 N ATOM 267 CA GLU A 39 37.321 16.440 18.240 1.00 0.00 C ATOM 268 C GLU A 39 36.313 16.439 19.373 1.00 0.00 C ATOM 269 O GLU A 39 36.093 15.411 20.001 1.00 0.00 O ATOM 270 CB GLU A 39 38.623 17.114 18.662 1.00 0.00 C ATOM 0 H GLU A 39 37.194 18.049 16.919 1.00 0.00 H new ATOM 0 HA GLU A 39 37.561 15.416 17.954 1.00 0.00 H new ATOM 273 N ALA A 40 35.710 17.605 19.619 1.00 0.00 N ATOM 274 CA ALA A 40 34.699 17.752 20.646 1.00 0.00 C ATOM 275 C ALA A 40 33.605 16.710 20.450 1.00 0.00 C ATOM 276 O ALA A 40 33.188 16.063 21.408 1.00 0.00 O ATOM 277 CB ALA A 40 34.117 19.162 20.581 1.00 0.00 C ATOM 0 H ALA A 40 35.914 18.465 19.109 1.00 0.00 H new ATOM 0 HA ALA A 40 35.147 17.598 21.628 1.00 0.00 H new ATOM 0 HB1 ALA A 40 33.355 19.277 21.352 1.00 0.00 H new ATOM 0 HB2 ALA A 40 34.911 19.891 20.743 1.00 0.00 H new ATOM 0 HB3 ALA A 40 33.669 19.326 19.601 1.00 0.00 H new ATOM 280 N ALA A 41 33.140 16.549 19.208 1.00 0.00 N ATOM 281 CA ALA A 41 32.105 15.580 18.896 1.00 0.00 C ATOM 282 C ALA A 41 32.533 14.200 19.378 1.00 0.00 C ATOM 283 O ALA A 41 31.782 13.515 20.075 1.00 0.00 O ATOM 284 CB ALA A 41 31.855 15.573 17.390 1.00 0.00 C ATOM 0 H ALA A 41 33.470 17.083 18.404 1.00 0.00 H new ATOM 0 HA ALA A 41 31.179 15.851 19.404 1.00 0.00 H new ATOM 0 HB1 ALA A 41 31.078 14.846 17.154 1.00 0.00 H new ATOM 0 HB2 ALA A 41 31.534 16.564 17.070 1.00 0.00 H new ATOM 0 HB3 ALA A 41 32.774 15.304 16.870 1.00 0.00 H new ATOM 287 N LYS A 42 33.758 13.801 19.028 1.00 0.00 N ATOM 288 CA LYS A 42 34.267 12.512 19.452 1.00 0.00 C ATOM 289 C LYS A 42 34.288 12.509 20.975 1.00 0.00 C ATOM 290 O LYS A 42 33.948 11.515 21.617 1.00 0.00 O ATOM 291 CB LYS A 42 35.669 12.303 18.885 1.00 0.00 C ATOM 0 H LYS A 42 34.402 14.350 18.459 1.00 0.00 H new ATOM 0 HA LYS A 42 33.638 11.699 19.088 1.00 0.00 H new ATOM 294 N LEU A 43 34.676 13.656 21.537 1.00 0.00 N ATOM 295 CA LEU A 43 34.751 13.845 22.967 1.00 0.00 C ATOM 296 C LEU A 43 33.424 13.463 23.593 1.00 0.00 C ATOM 297 O LEU A 43 33.376 12.471 24.311 1.00 0.00 O ATOM 298 CB LEU A 43 35.113 15.294 23.281 1.00 0.00 C ATOM 0 H LEU A 43 34.947 14.479 20.999 1.00 0.00 H new ATOM 0 HA LEU A 43 35.529 13.206 23.386 1.00 0.00 H new ATOM 301 N GLU A 44 32.371 14.239 23.308 1.00 0.00 N ATOM 302 CA GLU A 44 31.034 14.005 23.829 1.00 0.00 C ATOM 303 C GLU A 44 30.658 12.530 23.781 1.00 0.00 C ATOM 304 O GLU A 44 30.088 12.011 24.738 1.00 0.00 O ATOM 305 CB GLU A 44 30.034 14.836 23.031 1.00 0.00 C ATOM 0 H GLU A 44 32.433 15.056 22.700 1.00 0.00 H new ATOM 0 HA GLU A 44 31.014 14.307 24.876 1.00 0.00 H new ATOM 308 N LYS A 45 30.983 11.853 22.677 1.00 0.00 N ATOM 309 CA LYS A 45 30.692 10.436 22.555 1.00 0.00 C ATOM 310 C LYS A 45 31.355 9.693 23.712 1.00 0.00 C ATOM 311 O LYS A 45 30.767 8.788 24.299 1.00 0.00 O ATOM 312 CB LYS A 45 31.209 9.924 21.214 1.00 0.00 C ATOM 0 H LYS A 45 31.443 12.265 21.865 1.00 0.00 H new ATOM 0 HA LYS A 45 29.616 10.266 22.596 1.00 0.00 H new ATOM 315 N ILE A 46 32.583 10.103 24.036 1.00 0.00 N ATOM 316 CA ILE A 46 33.329 9.489 25.124 1.00 0.00 C ATOM 317 C ILE A 46 32.761 9.910 26.479 1.00 0.00 C ATOM 318 O ILE A 46 32.566 9.085 27.368 1.00 0.00 O ATOM 319 CB ILE A 46 34.799 9.886 25.013 1.00 0.00 C ATOM 0 H ILE A 46 33.077 10.857 23.558 1.00 0.00 H new ATOM 0 HA ILE A 46 33.240 8.405 25.049 1.00 0.00 H new ATOM 322 N LEU A 47 32.504 11.211 26.611 1.00 0.00 N ATOM 323 CA LEU A 47 31.986 11.797 27.829 1.00 0.00 C ATOM 324 C LEU A 47 30.769 11.050 28.357 1.00 0.00 C ATOM 325 O LEU A 47 30.795 10.550 29.479 1.00 0.00 O ATOM 326 CB LEU A 47 31.642 13.261 27.573 1.00 0.00 C ATOM 0 H LEU A 47 32.654 11.888 25.863 1.00 0.00 H new ATOM 0 HA LEU A 47 32.758 11.723 28.595 1.00 0.00 H new ATOM 329 N ALA A 48 29.691 11.008 27.568 1.00 0.00 N ATOM 330 CA ALA A 48 28.453 10.361 27.958 1.00 0.00 C ATOM 331 C ALA A 48 28.520 8.856 27.729 1.00 0.00 C ATOM 332 O ALA A 48 27.502 8.174 27.836 1.00 0.00 O ATOM 333 CB ALA A 48 27.299 10.968 27.164 1.00 0.00 C ATOM 0 H ALA A 48 29.661 11.426 26.638 1.00 0.00 H new ATOM 0 HA ALA A 48 28.292 10.524 29.024 1.00 0.00 H new ATOM 0 HB1 ALA A 48 26.365 10.486 27.453 1.00 0.00 H new ATOM 0 HB2 ALA A 48 27.236 12.036 27.373 1.00 0.00 H new ATOM 0 HB3 ALA A 48 27.471 10.817 26.098 1.00 0.00 H new ATOM 336 N THR A 49 29.697 8.331 27.379 1.00 0.00 N ATOM 337 CA THR A 49 29.858 6.929 27.049 1.00 0.00 C ATOM 338 C THR A 49 29.310 5.983 28.106 1.00 0.00 C ATOM 339 O THR A 49 28.278 5.363 27.863 1.00 0.00 O ATOM 340 CB THR A 49 31.333 6.638 26.790 1.00 0.00 C ATOM 0 H THR A 49 30.559 8.873 27.319 1.00 0.00 H new ATOM 0 HA THR A 49 29.268 6.745 26.151 1.00 0.00 H new ATOM 343 N ASP A 50 30.027 5.884 29.237 1.00 0.00 N ATOM 344 CA ASP A 50 29.741 5.001 30.367 1.00 0.00 C ATOM 345 C ASP A 50 30.993 4.172 30.620 1.00 0.00 C ATOM 346 O ASP A 50 31.052 3.005 30.238 1.00 0.00 O ATOM 347 CB ASP A 50 28.543 4.079 30.151 1.00 0.00 C ATOM 0 H ASP A 50 30.863 6.448 29.390 1.00 0.00 H new ATOM 0 HA ASP A 50 29.475 5.623 31.222 1.00 0.00 H new ATOM 350 N VAL A 51 31.995 4.781 31.261 1.00 0.00 N ATOM 351 CA VAL A 51 33.253 4.114 31.540 1.00 0.00 C ATOM 352 C VAL A 51 33.019 2.799 32.270 1.00 0.00 C ATOM 353 O VAL A 51 33.467 1.748 31.817 1.00 0.00 O ATOM 354 CB VAL A 51 34.140 5.038 32.369 1.00 0.00 C ATOM 0 H VAL A 51 31.950 5.743 31.596 1.00 0.00 H new ATOM 0 HA VAL A 51 33.751 3.886 30.598 1.00 0.00 H new ATOM 357 N ALA A 52 32.317 2.860 33.402 1.00 0.00 N ATOM 358 CA ALA A 52 32.037 1.679 34.193 1.00 0.00 C ATOM 359 C ALA A 52 31.062 0.776 33.452 1.00 0.00 C ATOM 360 O ALA A 52 29.860 0.830 33.700 1.00 0.00 O ATOM 361 CB ALA A 52 31.462 2.099 35.543 1.00 0.00 C ATOM 0 H ALA A 52 31.934 3.723 33.787 1.00 0.00 H new ATOM 0 HA ALA A 52 32.960 1.123 34.359 1.00 0.00 H new ATOM 0 HB1 ALA A 52 31.250 1.212 36.140 1.00 0.00 H new ATOM 0 HB2 ALA A 52 32.184 2.725 36.067 1.00 0.00 H new ATOM 0 HB3 ALA A 52 30.540 2.660 35.387 1.00 0.00 H new ATOM 364 N PRO A 53 31.580 -0.059 32.546 1.00 0.00 N ATOM 365 CA PRO A 53 30.739 -0.963 31.787 1.00 0.00 C ATOM 366 C PRO A 53 31.566 -1.871 30.885 1.00 0.00 C ATOM 367 O PRO A 53 30.999 -2.561 30.041 1.00 0.00 O ATOM 368 CB PRO A 53 29.900 -1.800 32.750 1.00 0.00 C ATOM 0 HA PRO A 53 30.086 -0.370 31.146 1.00 0.00 H new ATOM 370 N LEU A 54 32.894 -1.864 31.053 1.00 0.00 N ATOM 371 CA LEU A 54 33.785 -2.695 30.263 1.00 0.00 C ATOM 372 C LEU A 54 35.053 -3.043 31.038 1.00 0.00 C ATOM 373 O LEU A 54 35.921 -3.720 30.490 1.00 0.00 O ATOM 374 CB LEU A 54 34.133 -1.970 28.966 1.00 0.00 C ATOM 0 H LEU A 54 33.371 -1.281 31.740 1.00 0.00 H new ATOM 0 HA LEU A 54 33.276 -3.631 30.032 1.00 0.00 H new ATOM 377 N PHE A 55 35.147 -2.591 32.298 1.00 0.00 N ATOM 378 CA PHE A 55 36.291 -2.846 33.160 1.00 0.00 C ATOM 379 C PHE A 55 35.900 -3.875 34.211 1.00 0.00 C ATOM 380 O PHE A 55 35.375 -3.515 35.262 1.00 0.00 O ATOM 381 CB PHE A 55 36.703 -1.540 33.832 1.00 0.00 C ATOM 0 H PHE A 55 34.418 -2.033 32.743 1.00 0.00 H new ATOM 0 HA PHE A 55 37.128 -3.231 32.577 1.00 0.00 H new ATOM 384 N PRO A 56 36.161 -5.156 33.933 1.00 0.00 N ATOM 385 CA PRO A 56 35.819 -6.216 34.861 1.00 0.00 C ATOM 386 C PRO A 56 36.552 -7.505 34.513 1.00 0.00 C ATOM 387 O PRO A 56 37.675 -7.472 34.015 1.00 0.00 O ATOM 388 CB PRO A 56 34.307 -6.427 34.836 1.00 0.00 C ATOM 0 HA PRO A 56 36.129 -5.928 35.866 1.00 0.00 H new ATOM 390 N ALA A 57 35.903 -8.642 34.776 1.00 0.00 N ATOM 391 CA ALA A 57 36.482 -9.942 34.504 1.00 0.00 C ATOM 392 C ALA A 57 36.736 -10.089 33.011 1.00 0.00 C ATOM 393 O ALA A 57 35.809 -10.350 32.247 1.00 0.00 O ATOM 394 CB ALA A 57 35.535 -11.031 34.999 1.00 0.00 C ATOM 0 H ALA A 57 34.968 -8.678 35.181 1.00 0.00 H new ATOM 0 HA ALA A 57 37.433 -10.039 35.027 1.00 0.00 H new ATOM 0 HB1 ALA A 57 35.968 -12.010 34.795 1.00 0.00 H new ATOM 0 HB2 ALA A 57 35.380 -10.919 36.072 1.00 0.00 H new ATOM 0 HB3 ALA A 57 34.579 -10.943 34.484 1.00 0.00 H new ATOM 397 N GLY A 58 37.996 -9.929 32.596 1.00 0.00 N ATOM 398 CA GLY A 58 38.353 -10.047 31.195 1.00 0.00 C ATOM 399 C GLY A 58 39.857 -10.210 31.013 1.00 0.00 C ATOM 400 O GLY A 58 40.352 -10.123 29.891 1.00 0.00 O ATOM 0 H GLY A 58 38.779 -9.718 33.215 1.00 0.00 H new ATOM 0 HA2 GLY A 58 37.838 -10.903 30.758 1.00 0.00 H new ATOM 0 HA3 GLY A 58 38.014 -9.162 30.656 1.00 0.00 H new ATOM 404 N THR A 59 40.585 -10.446 32.108 1.00 0.00 N ATOM 405 CA THR A 59 42.023 -10.622 32.042 1.00 0.00 C ATOM 406 C THR A 59 42.594 -10.758 33.446 1.00 0.00 C ATOM 407 O THR A 59 42.916 -11.860 33.884 1.00 0.00 O ATOM 408 CB THR A 59 42.653 -9.433 31.321 1.00 0.00 C ATOM 0 H THR A 59 40.194 -10.518 33.047 1.00 0.00 H new ATOM 0 HA THR A 59 42.251 -11.531 31.486 1.00 0.00 H new ATOM 411 N SER A 60 42.728 -9.630 34.146 1.00 0.00 N ATOM 412 CA SER A 60 43.264 -9.625 35.493 1.00 0.00 C ATOM 413 C SER A 60 44.712 -10.094 35.464 1.00 0.00 C ATOM 414 O SER A 60 45.012 -11.206 35.892 1.00 0.00 O ATOM 415 CB SER A 60 42.420 -10.540 36.375 1.00 0.00 C ATOM 0 H SER A 60 42.469 -8.708 33.794 1.00 0.00 H new ATOM 0 HA SER A 60 43.233 -8.616 35.903 1.00 0.00 H new ATOM 418 N SER A 61 45.614 -9.245 34.962 1.00 0.00 N ATOM 419 CA SER A 61 47.019 -9.595 34.881 1.00 0.00 C ATOM 420 C SER A 61 47.624 -9.630 36.277 1.00 0.00 C ATOM 421 O SER A 61 48.252 -10.615 36.657 1.00 0.00 O ATOM 422 CB SER A 61 47.753 -8.598 33.989 1.00 0.00 C ATOM 0 H SER A 61 45.389 -8.315 34.609 1.00 0.00 H new ATOM 0 HA SER A 61 47.122 -10.586 34.439 1.00 0.00 H new ATOM 425 N THR A 62 47.428 -8.553 37.042 1.00 0.00 N ATOM 426 CA THR A 62 47.947 -8.468 38.393 1.00 0.00 C ATOM 427 C THR A 62 47.445 -9.653 39.205 1.00 0.00 C ATOM 428 O THR A 62 48.167 -10.176 40.052 1.00 0.00 O ATOM 429 CB THR A 62 47.500 -7.152 39.025 1.00 0.00 C ATOM 0 H THR A 62 46.910 -7.728 36.739 1.00 0.00 H new ATOM 0 HA THR A 62 49.037 -8.495 38.376 1.00 0.00 H new ATOM 432 N ASP A 63 46.205 -10.072 38.936 1.00 0.00 N ATOM 433 CA ASP A 63 45.600 -11.194 39.628 1.00 0.00 C ATOM 434 C ASP A 63 46.512 -12.411 39.545 1.00 0.00 C ATOM 435 O ASP A 63 47.088 -12.814 40.554 1.00 0.00 O ATOM 436 CB ASP A 63 44.238 -11.497 39.011 1.00 0.00 C ATOM 0 H ASP A 63 45.602 -9.640 38.235 1.00 0.00 H new ATOM 0 HA ASP A 63 45.462 -10.942 40.679 1.00 0.00 H new ATOM 439 N LEU A 64 46.627 -12.988 38.344 1.00 0.00 N ATOM 440 CA LEU A 64 47.467 -14.149 38.100 1.00 0.00 C ATOM 441 C LEU A 64 48.052 -14.063 36.698 1.00 0.00 C ATOM 442 O LEU A 64 47.741 -13.140 35.949 1.00 0.00 O ATOM 443 CB LEU A 64 46.638 -15.420 38.265 1.00 0.00 C ATOM 0 H LEU A 64 46.135 -12.656 37.515 1.00 0.00 H new ATOM 0 HA LEU A 64 48.287 -14.174 38.818 1.00 0.00 H new ATOM 446 N PRO A 65 48.908 -15.026 36.347 1.00 0.00 N ATOM 447 CA PRO A 65 49.542 -15.047 35.045 1.00 0.00 C ATOM 448 C PRO A 65 48.483 -15.114 33.949 1.00 0.00 C ATOM 449 O PRO A 65 47.526 -15.876 34.059 1.00 0.00 O ATOM 450 CB PRO A 65 50.422 -13.809 34.901 1.00 0.00 C ATOM 0 HA PRO A 65 50.170 -15.932 34.947 1.00 0.00 H new ATOM 452 N GLY A 66 48.652 -14.313 32.893 1.00 0.00 N ATOM 453 CA GLY A 66 47.713 -14.295 31.790 1.00 0.00 C ATOM 454 C GLY A 66 48.195 -13.337 30.711 1.00 0.00 C ATOM 455 O GLY A 66 49.209 -12.665 30.884 1.00 0.00 O ATOM 0 H GLY A 66 49.436 -13.670 32.788 1.00 0.00 H new ATOM 0 HA2 GLY A 66 47.606 -15.298 31.376 1.00 0.00 H new ATOM 0 HA3 GLY A 66 46.728 -13.990 32.145 1.00 0.00 H new ATOM 459 N GLN A 67 47.466 -13.276 29.594 1.00 0.00 N ATOM 460 CA GLN A 67 47.823 -12.400 28.497 1.00 0.00 C ATOM 461 C GLN A 67 47.516 -10.960 28.878 1.00 0.00 C ATOM 462 O GLN A 67 48.333 -10.308 29.525 1.00 0.00 O ATOM 463 CB GLN A 67 47.050 -12.808 27.246 1.00 0.00 C ATOM 0 H GLN A 67 46.624 -13.828 29.434 1.00 0.00 H new ATOM 0 HA GLN A 67 48.889 -12.483 28.287 1.00 0.00 H new ATOM 466 N THR A 68 46.333 -10.481 28.477 1.00 0.00 N ATOM 467 CA THR A 68 45.885 -9.129 28.763 1.00 0.00 C ATOM 468 C THR A 68 46.974 -8.104 28.472 1.00 0.00 C ATOM 469 O THR A 68 47.893 -8.369 27.700 1.00 0.00 O ATOM 470 CB THR A 68 45.449 -9.043 30.222 1.00 0.00 C ATOM 0 H THR A 68 45.661 -11.031 27.942 1.00 0.00 H new ATOM 0 HA THR A 68 45.041 -8.898 28.112 1.00 0.00 H new ATOM 473 N GLU A 69 46.870 -6.936 29.110 1.00 0.00 N ATOM 474 CA GLU A 69 47.839 -5.871 28.944 1.00 0.00 C ATOM 475 C GLU A 69 47.709 -4.909 30.116 1.00 0.00 C ATOM 476 O GLU A 69 48.708 -4.478 30.688 1.00 0.00 O ATOM 477 CB GLU A 69 47.587 -5.154 27.621 1.00 0.00 C ATOM 0 H GLU A 69 46.111 -6.710 29.753 1.00 0.00 H new ATOM 0 HA GLU A 69 48.851 -6.275 28.925 1.00 0.00 H new ATOM 480 N ALA A 70 46.464 -4.589 30.475 1.00 0.00 N ATOM 481 CA ALA A 70 46.173 -3.691 31.575 1.00 0.00 C ATOM 482 C ALA A 70 44.679 -3.405 31.571 1.00 0.00 C ATOM 483 O ALA A 70 44.259 -2.280 31.833 1.00 0.00 O ATOM 484 CB ALA A 70 46.975 -2.403 31.417 1.00 0.00 C ATOM 0 H ALA A 70 45.634 -4.950 30.005 1.00 0.00 H new ATOM 0 HA ALA A 70 46.454 -4.145 32.525 1.00 0.00 H new ATOM 0 HB1 ALA A 70 46.752 -1.732 32.246 1.00 0.00 H new ATOM 0 HB2 ALA A 70 48.040 -2.636 31.414 1.00 0.00 H new ATOM 0 HB3 ALA A 70 46.707 -1.920 30.477 1.00 0.00 H new ATOM 487 N LYS A 71 43.888 -4.437 31.261 1.00 0.00 N ATOM 488 CA LYS A 71 42.444 -4.326 31.185 1.00 0.00 C ATOM 489 C LYS A 71 41.811 -4.465 32.562 1.00 0.00 C ATOM 490 O LYS A 71 41.168 -3.526 33.028 1.00 0.00 O ATOM 491 CB LYS A 71 41.906 -5.395 30.238 1.00 0.00 C ATOM 0 H LYS A 71 44.241 -5.372 31.057 1.00 0.00 H new ATOM 0 HA LYS A 71 42.186 -3.339 30.802 1.00 0.00 H new ATOM 494 N ALA A 72 41.993 -5.629 33.198 1.00 0.00 N ATOM 495 CA ALA A 72 41.455 -5.930 34.517 1.00 0.00 C ATOM 496 C ALA A 72 42.599 -5.899 35.524 1.00 0.00 C ATOM 497 O ALA A 72 42.375 -5.673 36.711 1.00 0.00 O ATOM 498 CB ALA A 72 40.817 -7.316 34.487 1.00 0.00 C ATOM 0 H ALA A 72 42.530 -6.398 32.797 1.00 0.00 H new ATOM 0 HA ALA A 72 40.700 -5.197 34.802 1.00 0.00 H new ATOM 0 HB1 ALA A 72 40.411 -7.551 35.471 1.00 0.00 H new ATOM 0 HB2 ALA A 72 40.014 -7.331 33.750 1.00 0.00 H new ATOM 0 HB3 ALA A 72 41.570 -8.057 34.219 1.00 0.00 H new ATOM 501 N ALA A 73 43.821 -6.130 35.030 1.00 0.00 N ATOM 502 CA ALA A 73 45.007 -6.105 35.861 1.00 0.00 C ATOM 503 C ALA A 73 45.039 -4.776 36.589 1.00 0.00 C ATOM 504 O ALA A 73 44.909 -4.756 37.811 1.00 0.00 O ATOM 505 CB ALA A 73 46.247 -6.261 34.988 1.00 0.00 C ATOM 0 H ALA A 73 44.004 -6.337 34.048 1.00 0.00 H new ATOM 0 HA ALA A 73 44.990 -6.923 36.581 1.00 0.00 H new ATOM 0 HB1 ALA A 73 47.138 -6.242 35.615 1.00 0.00 H new ATOM 0 HB2 ALA A 73 46.199 -7.210 34.454 1.00 0.00 H new ATOM 0 HB3 ALA A 73 46.291 -5.443 34.269 1.00 0.00 H new ATOM 508 N ILE A 74 45.206 -3.703 35.804 1.00 0.00 N ATOM 509 CA ILE A 74 45.239 -2.312 36.233 1.00 0.00 C ATOM 510 C ILE A 74 44.978 -2.055 37.708 1.00 0.00 C ATOM 511 O ILE A 74 44.220 -1.146 38.039 1.00 0.00 O ATOM 512 CB ILE A 74 44.236 -1.525 35.394 1.00 0.00 C ATOM 0 H ILE A 74 45.328 -3.796 34.796 1.00 0.00 H new ATOM 0 HA ILE A 74 46.268 -1.985 36.081 1.00 0.00 H new ATOM 515 N TRP A 75 45.588 -2.855 38.591 1.00 0.00 N ATOM 516 CA TRP A 75 45.448 -2.648 40.019 1.00 0.00 C ATOM 517 C TRP A 75 45.909 -1.225 40.274 1.00 0.00 C ATOM 518 O TRP A 75 46.770 -0.749 39.536 1.00 0.00 O ATOM 519 CB TRP A 75 46.310 -3.655 40.777 1.00 0.00 C ATOM 0 H TRP A 75 46.179 -3.646 38.333 1.00 0.00 H new ATOM 0 HA TRP A 75 44.423 -2.792 40.360 1.00 0.00 H new ATOM 522 N ALA A 76 45.338 -0.569 41.293 1.00 0.00 N ATOM 523 CA ALA A 76 45.595 0.819 41.648 1.00 0.00 C ATOM 524 C ALA A 76 44.272 1.408 42.110 1.00 0.00 C ATOM 525 O ALA A 76 43.773 2.345 41.492 1.00 0.00 O ATOM 526 CB ALA A 76 46.118 1.649 40.476 1.00 0.00 C ATOM 0 H ALA A 76 44.660 -1.014 41.911 1.00 0.00 H new ATOM 0 HA ALA A 76 46.364 0.844 42.420 1.00 0.00 H new ATOM 0 HB1 ALA A 76 46.290 2.674 40.804 1.00 0.00 H new ATOM 0 HB2 ALA A 76 47.054 1.221 40.116 1.00 0.00 H new ATOM 0 HB3 ALA A 76 45.384 1.644 39.671 1.00 0.00 H new ATOM 529 N ASN A 77 43.704 0.860 43.189 1.00 0.00 N ATOM 530 CA ASN A 77 42.444 1.316 43.748 1.00 0.00 C ATOM 531 C ASN A 77 41.333 1.457 42.716 1.00 0.00 C ATOM 532 O ASN A 77 41.239 2.489 42.059 1.00 0.00 O ATOM 533 CB ASN A 77 42.671 2.646 44.461 1.00 0.00 C ATOM 0 H ASN A 77 44.117 0.079 43.699 1.00 0.00 H new ATOM 0 HA ASN A 77 42.107 0.552 44.448 1.00 0.00 H new ATOM 536 N MET A 78 40.485 0.431 42.585 1.00 0.00 N ATOM 537 CA MET A 78 39.351 0.466 41.675 1.00 0.00 C ATOM 538 C MET A 78 38.536 1.738 41.891 1.00 0.00 C ATOM 539 O MET A 78 38.067 2.351 40.934 1.00 0.00 O ATOM 540 CB MET A 78 38.486 -0.770 41.902 1.00 0.00 C ATOM 0 H MET A 78 40.571 -0.441 43.108 1.00 0.00 H new ATOM 0 HA MET A 78 39.712 0.467 40.646 1.00 0.00 H new ATOM 543 N ASP A 79 38.384 2.132 43.157 1.00 0.00 N ATOM 544 CA ASP A 79 37.659 3.345 43.487 1.00 0.00 C ATOM 545 C ASP A 79 38.372 4.490 42.780 1.00 0.00 C ATOM 546 O ASP A 79 37.755 5.285 42.075 1.00 0.00 O ATOM 547 CB ASP A 79 37.654 3.547 44.999 1.00 0.00 C ATOM 0 H ASP A 79 38.754 1.627 43.962 1.00 0.00 H new ATOM 0 HA ASP A 79 36.619 3.293 43.164 1.00 0.00 H new ATOM 550 N ASP A 80 39.690 4.538 42.973 1.00 0.00 N ATOM 551 CA ASP A 80 40.524 5.536 42.335 1.00 0.00 C ATOM 552 C ASP A 80 40.305 5.455 40.829 1.00 0.00 C ATOM 553 O ASP A 80 40.269 6.477 40.147 1.00 0.00 O ATOM 554 CB ASP A 80 41.987 5.283 42.689 1.00 0.00 C ATOM 0 H ASP A 80 40.199 3.888 43.572 1.00 0.00 H new ATOM 0 HA ASP A 80 40.261 6.535 42.683 1.00 0.00 H new ATOM 557 N PHE A 81 40.145 4.230 40.320 1.00 0.00 N ATOM 558 CA PHE A 81 39.905 4.003 38.910 1.00 0.00 C ATOM 559 C PHE A 81 38.676 4.795 38.501 1.00 0.00 C ATOM 560 O PHE A 81 38.717 5.534 37.519 1.00 0.00 O ATOM 561 CB PHE A 81 39.700 2.512 38.660 1.00 0.00 C ATOM 0 H PHE A 81 40.180 3.378 40.879 1.00 0.00 H new ATOM 0 HA PHE A 81 40.759 4.331 38.317 1.00 0.00 H new ATOM 564 N GLY A 82 37.586 4.635 39.260 1.00 0.00 N ATOM 565 CA GLY A 82 36.353 5.351 39.007 1.00 0.00 C ATOM 566 C GLY A 82 36.652 6.838 38.906 1.00 0.00 C ATOM 567 O GLY A 82 36.080 7.530 38.065 1.00 0.00 O ATOM 0 H GLY A 82 37.544 4.006 40.062 1.00 0.00 H new ATOM 0 HA2 GLY A 82 35.895 4.996 38.084 1.00 0.00 H new ATOM 0 HA3 GLY A 82 35.639 5.165 39.809 1.00 0.00 H new ATOM 571 N ALA A 83 37.561 7.324 39.757 1.00 0.00 N ATOM 572 CA ALA A 83 37.956 8.717 39.746 1.00 0.00 C ATOM 573 C ALA A 83 38.407 9.114 38.347 1.00 0.00 C ATOM 574 O ALA A 83 37.743 9.931 37.715 1.00 0.00 O ATOM 575 CB ALA A 83 39.075 8.938 40.759 1.00 0.00 C ATOM 0 H ALA A 83 38.034 6.760 40.463 1.00 0.00 H new ATOM 0 HA ALA A 83 37.107 9.341 40.023 1.00 0.00 H new ATOM 0 HB1 ALA A 83 39.372 9.987 40.750 1.00 0.00 H new ATOM 0 HB2 ALA A 83 38.723 8.669 41.755 1.00 0.00 H new ATOM 0 HB3 ALA A 83 39.931 8.316 40.497 1.00 0.00 H new ATOM 578 N LYS A 84 39.532 8.543 37.893 1.00 0.00 N ATOM 579 CA LYS A 84 40.095 8.817 36.574 1.00 0.00 C ATOM 580 C LYS A 84 39.007 8.867 35.509 1.00 0.00 C ATOM 581 O LYS A 84 39.078 9.659 34.573 1.00 0.00 O ATOM 582 CB LYS A 84 41.127 7.745 36.234 1.00 0.00 C ATOM 0 H LYS A 84 40.076 7.875 38.438 1.00 0.00 H new ATOM 0 HA LYS A 84 40.578 9.794 36.595 1.00 0.00 H new ATOM 585 N GLY A 85 38.010 8.002 35.682 1.00 0.00 N ATOM 586 CA GLY A 85 36.869 7.961 34.789 1.00 0.00 C ATOM 587 C GLY A 85 36.283 9.365 34.753 1.00 0.00 C ATOM 588 O GLY A 85 36.412 10.065 33.751 1.00 0.00 O ATOM 0 H GLY A 85 37.976 7.319 36.439 1.00 0.00 H new ATOM 0 HA2 GLY A 85 37.171 7.643 33.791 1.00 0.00 H new ATOM 0 HA3 GLY A 85 36.129 7.243 35.142 1.00 0.00 H new ATOM 592 N LYS A 86 35.642 9.746 35.862 1.00 0.00 N ATOM 593 CA LYS A 86 35.069 11.071 36.018 1.00 0.00 C ATOM 594 C LYS A 86 36.036 12.157 35.545 1.00 0.00 C ATOM 595 O LYS A 86 35.642 13.041 34.789 1.00 0.00 O ATOM 596 CB LYS A 86 34.695 11.288 37.481 1.00 0.00 C ATOM 0 H LYS A 86 35.510 9.140 36.672 1.00 0.00 H new ATOM 0 HA LYS A 86 34.175 11.140 35.398 1.00 0.00 H new ATOM 599 N ALA A 87 37.295 12.082 35.991 1.00 0.00 N ATOM 600 CA ALA A 87 38.312 13.057 35.629 1.00 0.00 C ATOM 601 C ALA A 87 38.380 13.224 34.118 1.00 0.00 C ATOM 602 O ALA A 87 38.338 14.344 33.609 1.00 0.00 O ATOM 603 CB ALA A 87 39.662 12.608 36.181 1.00 0.00 C ATOM 0 H ALA A 87 37.630 11.344 36.610 1.00 0.00 H new ATOM 0 HA ALA A 87 38.052 14.023 36.061 1.00 0.00 H new ATOM 0 HB1 ALA A 87 40.426 13.337 35.911 1.00 0.00 H new ATOM 0 HB2 ALA A 87 39.603 12.529 37.267 1.00 0.00 H new ATOM 0 HB3 ALA A 87 39.922 11.637 35.760 1.00 0.00 H new ATOM 606 N MET A 88 38.480 12.098 33.410 1.00 0.00 N ATOM 607 CA MET A 88 38.533 12.103 31.964 1.00 0.00 C ATOM 608 C MET A 88 37.296 12.830 31.468 1.00 0.00 C ATOM 609 O MET A 88 37.376 13.643 30.551 1.00 0.00 O ATOM 610 CB MET A 88 38.570 10.668 31.446 1.00 0.00 C ATOM 0 H MET A 88 38.526 11.168 33.827 1.00 0.00 H new ATOM 0 HA MET A 88 39.430 12.607 31.603 1.00 0.00 H new ATOM 613 N HIS A 89 36.155 12.545 32.099 1.00 0.00 N ATOM 614 CA HIS A 89 34.902 13.190 31.760 1.00 0.00 C ATOM 615 C HIS A 89 35.018 14.699 31.951 1.00 0.00 C ATOM 616 O HIS A 89 34.519 15.457 31.124 1.00 0.00 O ATOM 617 CB HIS A 89 33.789 12.622 32.637 1.00 0.00 C ATOM 0 H HIS A 89 36.082 11.863 32.854 1.00 0.00 H new ATOM 0 HA HIS A 89 34.665 12.997 30.714 1.00 0.00 H new ATOM 620 N GLU A 90 35.661 15.122 33.046 1.00 0.00 N ATOM 621 CA GLU A 90 35.848 16.543 33.325 1.00 0.00 C ATOM 622 C GLU A 90 36.435 17.234 32.095 1.00 0.00 C ATOM 623 O GLU A 90 35.951 18.275 31.657 1.00 0.00 O ATOM 624 CB GLU A 90 36.769 16.706 34.530 1.00 0.00 C ATOM 0 H GLU A 90 36.058 14.499 33.749 1.00 0.00 H new ATOM 0 HA GLU A 90 34.888 17.005 33.555 1.00 0.00 H new ATOM 627 N ALA A 91 37.474 16.610 31.545 1.00 0.00 N ATOM 628 CA ALA A 91 38.112 17.117 30.335 1.00 0.00 C ATOM 629 C ALA A 91 37.178 16.904 29.137 1.00 0.00 C ATOM 630 O ALA A 91 37.109 17.721 28.223 1.00 0.00 O ATOM 631 CB ALA A 91 39.441 16.399 30.122 1.00 0.00 C ATOM 0 H ALA A 91 37.890 15.756 31.917 1.00 0.00 H new ATOM 0 HA ALA A 91 38.307 18.185 30.437 1.00 0.00 H new ATOM 0 HB1 ALA A 91 39.918 16.777 29.218 1.00 0.00 H new ATOM 0 HB2 ALA A 91 40.092 16.577 30.978 1.00 0.00 H new ATOM 0 HB3 ALA A 91 39.264 15.329 30.018 1.00 0.00 H new ATOM 634 N GLY A 92 36.460 15.783 29.190 1.00 0.00 N ATOM 635 CA GLY A 92 35.527 15.393 28.147 1.00 0.00 C ATOM 636 C GLY A 92 34.484 16.480 27.879 1.00 0.00 C ATOM 637 O GLY A 92 34.473 17.093 26.812 1.00 0.00 O ATOM 0 H GLY A 92 36.513 15.120 29.963 1.00 0.00 H new ATOM 0 HA2 GLY A 92 36.076 15.182 27.229 1.00 0.00 H new ATOM 0 HA3 GLY A 92 35.024 14.470 28.436 1.00 0.00 H new ATOM 641 N GLY A 93 33.604 16.710 28.856 1.00 0.00 N ATOM 642 CA GLY A 93 32.536 17.681 28.734 1.00 0.00 C ATOM 643 C GLY A 93 33.076 19.101 28.658 1.00 0.00 C ATOM 644 O GLY A 93 32.541 19.923 27.916 1.00 0.00 O ATOM 0 H GLY A 93 33.619 16.223 29.752 1.00 0.00 H new ATOM 0 HA2 GLY A 93 31.949 17.466 27.841 1.00 0.00 H new ATOM 0 HA3 GLY A 93 31.863 17.592 29.587 1.00 0.00 H new ATOM 648 N ALA A 94 34.133 19.400 29.417 1.00 0.00 N ATOM 649 CA ALA A 94 34.713 20.726 29.423 1.00 0.00 C ATOM 650 C ALA A 94 35.349 21.031 28.076 1.00 0.00 C ATOM 651 O ALA A 94 35.301 22.171 27.618 1.00 0.00 O ATOM 652 CB ALA A 94 35.741 20.830 30.545 1.00 0.00 C ATOM 0 H ALA A 94 34.598 18.734 30.033 1.00 0.00 H new ATOM 0 HA ALA A 94 33.928 21.461 29.598 1.00 0.00 H new ATOM 0 HB1 ALA A 94 36.177 21.829 30.548 1.00 0.00 H new ATOM 0 HB2 ALA A 94 35.255 20.643 31.502 1.00 0.00 H new ATOM 0 HB3 ALA A 94 36.527 20.092 30.388 1.00 0.00 H new ATOM 655 N VAL A 95 35.937 20.020 27.429 1.00 0.00 N ATOM 656 CA VAL A 95 36.570 20.210 26.140 1.00 0.00 C ATOM 657 C VAL A 95 35.505 20.526 25.107 1.00 0.00 C ATOM 658 O VAL A 95 35.681 21.431 24.294 1.00 0.00 O ATOM 659 CB VAL A 95 37.349 18.958 25.745 1.00 0.00 C ATOM 0 H VAL A 95 35.983 19.065 27.785 1.00 0.00 H new ATOM 0 HA VAL A 95 37.273 21.041 26.196 1.00 0.00 H new ATOM 662 N ILE A 96 34.391 19.787 25.137 1.00 0.00 N ATOM 663 CA ILE A 96 33.305 20.020 24.209 1.00 0.00 C ATOM 664 C ILE A 96 32.788 21.435 24.420 1.00 0.00 C ATOM 665 O ILE A 96 32.447 22.127 23.463 1.00 0.00 O ATOM 666 CB ILE A 96 32.200 18.996 24.450 1.00 0.00 C ATOM 0 H ILE A 96 34.228 19.026 25.797 1.00 0.00 H new ATOM 0 HA ILE A 96 33.649 19.912 23.180 1.00 0.00 H new ATOM 669 N ALA A 97 32.748 21.866 25.683 1.00 0.00 N ATOM 670 CA ALA A 97 32.293 23.199 26.021 1.00 0.00 C ATOM 671 C ALA A 97 33.143 24.213 25.270 1.00 0.00 C ATOM 672 O ALA A 97 32.614 25.106 24.612 1.00 0.00 O ATOM 673 CB ALA A 97 32.402 23.407 27.529 1.00 0.00 C ATOM 0 H ALA A 97 33.028 21.302 26.485 1.00 0.00 H new ATOM 0 HA ALA A 97 31.250 23.329 25.733 1.00 0.00 H new ATOM 0 HB1 ALA A 97 32.060 24.410 27.784 1.00 0.00 H new ATOM 0 HB2 ALA A 97 31.784 22.671 28.043 1.00 0.00 H new ATOM 0 HB3 ALA A 97 33.440 23.289 27.839 1.00 0.00 H new ATOM 676 N ALA A 98 34.467 24.064 25.363 1.00 0.00 N ATOM 677 CA ALA A 98 35.387 24.953 24.683 1.00 0.00 C ATOM 678 C ALA A 98 35.111 24.912 23.188 1.00 0.00 C ATOM 679 O ALA A 98 35.232 25.926 22.503 1.00 0.00 O ATOM 680 CB ALA A 98 36.821 24.524 24.981 1.00 0.00 C ATOM 0 H ALA A 98 34.919 23.329 25.908 1.00 0.00 H new ATOM 0 HA ALA A 98 35.250 25.975 25.036 1.00 0.00 H new ATOM 0 HB1 ALA A 98 37.514 25.192 24.470 1.00 0.00 H new ATOM 0 HB2 ALA A 98 36.999 24.570 26.055 1.00 0.00 H new ATOM 0 HB3 ALA A 98 36.976 23.503 24.631 1.00 0.00 H new ATOM 683 N ALA A 99 34.726 23.737 22.686 1.00 0.00 N ATOM 684 CA ALA A 99 34.424 23.567 21.279 1.00 0.00 C ATOM 685 C ALA A 99 33.305 24.523 20.889 1.00 0.00 C ATOM 686 O ALA A 99 33.441 25.284 19.934 1.00 0.00 O ATOM 687 CB ALA A 99 34.017 22.120 21.017 1.00 0.00 C ATOM 0 H ALA A 99 34.618 22.890 23.243 1.00 0.00 H new ATOM 0 HA ALA A 99 35.304 23.792 20.677 1.00 0.00 H new ATOM 0 HB1 ALA A 99 33.790 21.992 19.959 1.00 0.00 H new ATOM 0 HB2 ALA A 99 34.835 21.456 21.295 1.00 0.00 H new ATOM 0 HB3 ALA A 99 33.135 21.877 21.609 1.00 0.00 H new ATOM 690 N ASN A 100 32.200 24.485 21.637 1.00 0.00 N ATOM 691 CA ASN A 100 31.066 25.349 21.375 1.00 0.00 C ATOM 692 C ASN A 100 31.448 26.789 21.685 1.00 0.00 C ATOM 693 O ASN A 100 31.288 27.670 20.842 1.00 0.00 O ATOM 694 CB ASN A 100 29.882 24.906 22.228 1.00 0.00 C ATOM 0 H ASN A 100 32.074 23.858 22.432 1.00 0.00 H new ATOM 0 HA ASN A 100 30.780 25.283 20.325 1.00 0.00 H new ATOM 697 N ALA A 101 31.955 27.024 22.898 1.00 0.00 N ATOM 698 CA ALA A 101 32.370 28.349 23.315 1.00 0.00 C ATOM 699 C ALA A 101 33.370 28.912 22.315 1.00 0.00 C ATOM 700 O ALA A 101 33.527 30.126 22.206 1.00 0.00 O ATOM 701 CB ALA A 101 32.986 28.270 24.709 1.00 0.00 C ATOM 0 H ALA A 101 32.085 26.302 23.607 1.00 0.00 H new ATOM 0 HA ALA A 101 31.507 29.013 23.350 1.00 0.00 H new ATOM 0 HB1 ALA A 101 33.299 29.265 25.025 1.00 0.00 H new ATOM 0 HB2 ALA A 101 32.248 27.881 25.411 1.00 0.00 H new ATOM 0 HB3 ALA A 101 33.851 27.607 24.687 1.00 0.00 H new ATOM 704 N GLY A 102 34.040 28.024 21.576 1.00 0.00 N ATOM 705 CA GLY A 102 35.013 28.427 20.581 1.00 0.00 C ATOM 706 C GLY A 102 36.329 28.824 21.236 1.00 0.00 C ATOM 707 O GLY A 102 37.162 29.469 20.602 1.00 0.00 O ATOM 0 H GLY A 102 33.918 27.014 21.656 1.00 0.00 H new ATOM 0 HA2 GLY A 102 35.183 27.609 19.881 1.00 0.00 H new ATOM 0 HA3 GLY A 102 34.623 29.265 20.003 1.00 0.00 H new ATOM 711 N ASP A 103 36.516 28.440 22.502 1.00 0.00 N ATOM 712 CA ASP A 103 37.729 28.748 23.236 1.00 0.00 C ATOM 713 C ASP A 103 38.810 27.740 22.871 1.00 0.00 C ATOM 714 O ASP A 103 38.962 26.722 23.542 1.00 0.00 O ATOM 715 CB ASP A 103 37.434 28.697 24.733 1.00 0.00 C ATOM 0 H ASP A 103 35.829 27.909 23.038 1.00 0.00 H new ATOM 0 HA ASP A 103 38.080 29.747 22.977 1.00 0.00 H new ATOM 718 N GLY A 104 39.560 28.022 21.804 1.00 0.00 N ATOM 719 CA GLY A 104 40.617 27.139 21.348 1.00 0.00 C ATOM 720 C GLY A 104 41.634 26.857 22.447 1.00 0.00 C ATOM 721 O GLY A 104 42.220 25.775 22.483 1.00 0.00 O ATOM 0 H GLY A 104 39.447 28.864 21.240 1.00 0.00 H new ATOM 0 HA2 GLY A 104 40.183 26.200 21.005 1.00 0.00 H new ATOM 0 HA3 GLY A 104 41.122 27.588 20.493 1.00 0.00 H new ATOM 725 N ALA A 105 41.826 27.808 23.366 1.00 0.00 N ATOM 726 CA ALA A 105 42.779 27.660 24.448 1.00 0.00 C ATOM 727 C ALA A 105 42.120 26.810 25.524 1.00 0.00 C ATOM 728 O ALA A 105 42.793 26.101 26.269 1.00 0.00 O ATOM 729 CB ALA A 105 43.148 29.037 24.994 1.00 0.00 C ATOM 0 H ALA A 105 41.323 28.695 23.373 1.00 0.00 H new ATOM 0 HA ALA A 105 43.695 27.179 24.104 1.00 0.00 H new ATOM 0 HB1 ALA A 105 43.865 28.926 25.808 1.00 0.00 H new ATOM 0 HB2 ALA A 105 43.592 29.637 24.199 1.00 0.00 H new ATOM 0 HB3 ALA A 105 42.251 29.533 25.366 1.00 0.00 H new ATOM 732 N ALA A 106 40.789 26.890 25.584 1.00 0.00 N ATOM 733 CA ALA A 106 40.013 26.143 26.546 1.00 0.00 C ATOM 734 C ALA A 106 39.934 24.686 26.122 1.00 0.00 C ATOM 735 O ALA A 106 40.050 23.802 26.965 1.00 0.00 O ATOM 736 CB ALA A 106 38.621 26.755 26.664 1.00 0.00 C ATOM 0 H ALA A 106 40.230 27.476 24.964 1.00 0.00 H new ATOM 0 HA ALA A 106 40.494 26.188 27.523 1.00 0.00 H new ATOM 0 HB1 ALA A 106 38.036 26.191 27.390 1.00 0.00 H new ATOM 0 HB2 ALA A 106 38.706 27.791 26.992 1.00 0.00 H new ATOM 0 HB3 ALA A 106 38.125 26.721 25.694 1.00 0.00 H new ATOM 739 N PHE A 107 39.758 24.428 24.822 1.00 0.00 N ATOM 740 CA PHE A 107 39.653 23.074 24.311 1.00 0.00 C ATOM 741 C PHE A 107 41.030 22.434 24.221 1.00 0.00 C ATOM 742 O PHE A 107 41.147 21.212 24.286 1.00 0.00 O ATOM 743 CB PHE A 107 38.979 23.099 22.941 1.00 0.00 C ATOM 0 H PHE A 107 39.686 25.151 24.106 1.00 0.00 H new ATOM 0 HA PHE A 107 39.048 22.477 24.993 1.00 0.00 H new ATOM 746 N GLY A 108 42.074 23.255 24.082 1.00 0.00 N ATOM 747 CA GLY A 108 43.429 22.745 24.005 1.00 0.00 C ATOM 748 C GLY A 108 43.895 22.349 25.401 1.00 0.00 C ATOM 749 O GLY A 108 44.429 21.259 25.606 1.00 0.00 O ATOM 0 H GLY A 108 41.999 24.270 24.021 1.00 0.00 H new ATOM 0 HA2 GLY A 108 43.469 21.884 23.337 1.00 0.00 H new ATOM 0 HA3 GLY A 108 44.093 23.503 23.588 1.00 0.00 H new ATOM 753 N ALA A 109 43.661 23.233 26.373 1.00 0.00 N ATOM 754 CA ALA A 109 44.061 22.985 27.741 1.00 0.00 C ATOM 755 C ALA A 109 43.161 21.907 28.322 1.00 0.00 C ATOM 756 O ALA A 109 43.621 21.046 29.068 1.00 0.00 O ATOM 757 CB ALA A 109 43.955 24.276 28.547 1.00 0.00 C ATOM 0 H ALA A 109 43.194 24.128 26.227 1.00 0.00 H new ATOM 0 HA ALA A 109 45.096 22.645 27.780 1.00 0.00 H new ATOM 0 HB1 ALA A 109 44.257 24.087 29.577 1.00 0.00 H new ATOM 0 HB2 ALA A 109 44.608 25.032 28.110 1.00 0.00 H new ATOM 0 HB3 ALA A 109 42.925 24.632 28.530 1.00 0.00 H new ATOM 760 N ALA A 110 41.875 21.951 27.962 1.00 0.00 N ATOM 761 CA ALA A 110 40.926 20.973 28.449 1.00 0.00 C ATOM 762 C ALA A 110 41.286 19.603 27.903 1.00 0.00 C ATOM 763 O ALA A 110 41.399 18.650 28.671 1.00 0.00 O ATOM 764 CB ALA A 110 39.499 21.344 28.055 1.00 0.00 C ATOM 0 H ALA A 110 41.479 22.654 27.338 1.00 0.00 H new ATOM 0 HA ALA A 110 40.974 20.954 29.538 1.00 0.00 H new ATOM 0 HB1 ALA A 110 38.809 20.591 28.435 1.00 0.00 H new ATOM 0 HB2 ALA A 110 39.245 22.315 28.479 1.00 0.00 H new ATOM 0 HB3 ALA A 110 39.422 21.391 26.969 1.00 0.00 H new ATOM 767 N LEU A 111 41.475 19.481 26.584 1.00 0.00 N ATOM 768 CA LEU A 111 41.807 18.220 25.963 1.00 0.00 C ATOM 769 C LEU A 111 43.133 17.690 26.475 1.00 0.00 C ATOM 770 O LEU A 111 43.335 16.478 26.498 1.00 0.00 O ATOM 771 CB LEU A 111 41.853 18.400 24.448 1.00 0.00 C ATOM 0 H LEU A 111 41.399 20.259 25.929 1.00 0.00 H new ATOM 0 HA LEU A 111 41.039 17.490 26.219 1.00 0.00 H new ATOM 774 N GLN A 112 44.048 18.570 26.893 1.00 0.00 N ATOM 775 CA GLN A 112 45.325 18.139 27.419 1.00 0.00 C ATOM 776 C GLN A 112 45.071 17.566 28.802 1.00 0.00 C ATOM 777 O GLN A 112 45.754 16.637 29.227 1.00 0.00 O ATOM 778 CB GLN A 112 46.281 19.326 27.484 1.00 0.00 C ATOM 0 H GLN A 112 43.918 19.582 26.873 1.00 0.00 H new ATOM 0 HA GLN A 112 45.783 17.383 26.781 1.00 0.00 H new ATOM 781 N LYS A 113 44.072 18.113 29.500 1.00 0.00 N ATOM 782 CA LYS A 113 43.708 17.631 30.816 1.00 0.00 C ATOM 783 C LYS A 113 43.286 16.180 30.660 1.00 0.00 C ATOM 784 O LYS A 113 43.661 15.325 31.460 1.00 0.00 O ATOM 785 CB LYS A 113 42.568 18.478 31.373 1.00 0.00 C ATOM 0 H LYS A 113 43.505 18.892 29.166 1.00 0.00 H new ATOM 0 HA LYS A 113 44.543 17.703 31.513 1.00 0.00 H new ATOM 788 N LEU A 114 42.513 15.913 29.605 1.00 0.00 N ATOM 789 CA LEU A 114 42.064 14.572 29.299 1.00 0.00 C ATOM 790 C LEU A 114 43.259 13.783 28.781 1.00 0.00 C ATOM 791 O LEU A 114 43.309 12.563 28.915 1.00 0.00 O ATOM 792 CB LEU A 114 40.957 14.634 28.251 1.00 0.00 C ATOM 0 H LEU A 114 42.188 16.622 28.948 1.00 0.00 H new ATOM 0 HA LEU A 114 41.662 14.083 30.186 1.00 0.00 H new ATOM 795 N GLY A 115 44.229 14.494 28.195 1.00 0.00 N ATOM 796 CA GLY A 115 45.423 13.871 27.661 1.00 0.00 C ATOM 797 C GLY A 115 46.242 13.248 28.783 1.00 0.00 C ATOM 798 O GLY A 115 46.539 12.056 28.746 1.00 0.00 O ATOM 0 H GLY A 115 44.200 15.507 28.083 1.00 0.00 H new ATOM 0 HA2 GLY A 115 45.148 13.106 26.935 1.00 0.00 H new ATOM 0 HA3 GLY A 115 46.023 14.612 27.132 1.00 0.00 H new ATOM 802 N GLY A 116 46.607 14.055 29.782 1.00 0.00 N ATOM 803 CA GLY A 116 47.393 13.586 30.904 1.00 0.00 C ATOM 804 C GLY A 116 46.533 12.760 31.850 1.00 0.00 C ATOM 805 O GLY A 116 47.057 11.984 32.646 1.00 0.00 O ATOM 0 H GLY A 116 46.363 15.044 29.828 1.00 0.00 H new ATOM 0 HA2 GLY A 116 48.228 12.985 30.544 1.00 0.00 H new ATOM 0 HA3 GLY A 116 47.818 14.436 31.438 1.00 0.00 H new ATOM 809 N THR A 117 45.211 12.919 31.759 1.00 0.00 N ATOM 810 CA THR A 117 44.296 12.182 32.607 1.00 0.00 C ATOM 811 C THR A 117 44.270 10.723 32.177 1.00 0.00 C ATOM 812 O THR A 117 44.678 9.843 32.932 1.00 0.00 O ATOM 813 CB THR A 117 42.904 12.801 32.514 1.00 0.00 C ATOM 0 H THR A 117 44.758 13.555 31.103 1.00 0.00 H new ATOM 0 HA THR A 117 44.628 12.232 33.644 1.00 0.00 H new ATOM 816 N CYS A 118 43.790 10.469 30.957 1.00 0.00 N ATOM 817 CA CYS A 118 43.714 9.122 30.427 1.00 0.00 C ATOM 818 C CYS A 118 45.109 8.522 30.346 1.00 0.00 C ATOM 819 O CYS A 118 45.327 7.395 30.786 1.00 0.00 O ATOM 820 CB CYS A 118 43.060 9.155 29.048 1.00 0.00 C ATOM 0 H CYS A 118 43.448 11.189 30.321 1.00 0.00 H new ATOM 0 HA CYS A 118 43.109 8.500 31.087 1.00 0.00 H new ATOM 823 N LYS A 119 46.054 9.279 29.784 1.00 0.00 N ATOM 824 CA LYS A 119 47.423 8.825 29.656 1.00 0.00 C ATOM 825 C LYS A 119 47.949 8.433 31.027 1.00 0.00 C ATOM 826 O LYS A 119 48.507 7.353 31.196 1.00 0.00 O ATOM 827 CB LYS A 119 48.273 9.937 29.048 1.00 0.00 C ATOM 0 H LYS A 119 45.885 10.213 29.411 1.00 0.00 H new ATOM 0 HA LYS A 119 47.470 7.956 29.000 1.00 0.00 H new ATOM 830 N ALA A 120 47.764 9.318 32.009 1.00 0.00 N ATOM 831 CA ALA A 120 48.214 9.067 33.364 1.00 0.00 C ATOM 832 C ALA A 120 47.644 7.754 33.886 1.00 0.00 C ATOM 833 O ALA A 120 48.339 7.007 34.569 1.00 0.00 O ATOM 834 CB ALA A 120 47.782 10.226 34.257 1.00 0.00 C ATOM 0 H ALA A 120 47.302 10.218 31.881 1.00 0.00 H new ATOM 0 HA ALA A 120 49.301 8.987 33.372 1.00 0.00 H new ATOM 0 HB1 ALA A 120 48.117 10.043 35.278 1.00 0.00 H new ATOM 0 HB2 ALA A 120 48.224 11.152 33.890 1.00 0.00 H new ATOM 0 HB3 ALA A 120 46.695 10.312 34.242 1.00 0.00 H new ATOM 837 N CYS A 121 46.383 7.466 33.556 1.00 0.00 N ATOM 838 CA CYS A 121 45.721 6.258 34.015 1.00 0.00 C ATOM 839 C CYS A 121 46.445 5.012 33.523 1.00 0.00 C ATOM 840 O CYS A 121 46.822 4.155 34.320 1.00 0.00 O ATOM 841 CB CYS A 121 44.273 6.263 33.534 1.00 0.00 C ATOM 0 H CYS A 121 45.802 8.063 32.967 1.00 0.00 H new ATOM 0 HA CYS A 121 45.741 6.239 35.105 1.00 0.00 H new ATOM 844 N HIS A 122 46.641 4.914 32.207 1.00 0.00 N ATOM 845 CA HIS A 122 47.312 3.767 31.625 1.00 0.00 C ATOM 846 C HIS A 122 48.778 3.779 32.041 1.00 0.00 C ATOM 847 O HIS A 122 49.274 2.814 32.616 1.00 0.00 O ATOM 848 CB HIS A 122 47.179 3.814 30.106 1.00 0.00 C ATOM 0 H HIS A 122 46.343 5.617 31.531 1.00 0.00 H new ATOM 0 HA HIS A 122 46.854 2.845 31.983 1.00 0.00 H new ATOM 851 N ASP A 123 49.461 4.884 31.736 1.00 0.00 N ATOM 852 CA ASP A 123 50.864 5.065 32.059 1.00 0.00 C ATOM 853 C ASP A 123 51.160 4.725 33.516 1.00 0.00 C ATOM 854 O ASP A 123 52.277 4.327 33.839 1.00 0.00 O ATOM 855 CB ASP A 123 51.253 6.512 31.769 1.00 0.00 C ATOM 0 H ASP A 123 49.046 5.681 31.254 1.00 0.00 H new ATOM 0 HA ASP A 123 51.452 4.384 31.443 1.00 0.00 H new ATOM 858 N ASP A 124 50.160 4.878 34.389 1.00 0.00 N ATOM 859 CA ASP A 124 50.323 4.600 35.803 1.00 0.00 C ATOM 860 C ASP A 124 50.218 3.103 36.054 1.00 0.00 C ATOM 861 O ASP A 124 51.219 2.446 36.333 1.00 0.00 O ATOM 862 CB ASP A 124 49.261 5.345 36.606 1.00 0.00 C ATOM 0 H ASP A 124 49.226 5.196 34.130 1.00 0.00 H new ATOM 0 HA ASP A 124 51.308 4.941 36.121 1.00 0.00 H new ATOM 865 N TYR A 125 48.995 2.574 35.962 1.00 0.00 N ATOM 866 CA TYR A 125 48.742 1.166 36.201 1.00 0.00 C ATOM 867 C TYR A 125 49.107 0.344 34.974 1.00 0.00 C ATOM 868 O TYR A 125 48.463 -0.665 34.695 1.00 0.00 O ATOM 869 CB TYR A 125 47.269 0.975 36.552 1.00 0.00 C ATOM 0 H TYR A 125 48.163 3.112 35.721 1.00 0.00 H new ATOM 0 HA TYR A 125 49.359 0.824 37.032 1.00 0.00 H new ATOM 872 N ARG A 126 50.139 0.777 34.245 1.00 0.00 N ATOM 873 CA ARG A 126 50.579 0.089 33.046 1.00 0.00 C ATOM 874 C ARG A 126 51.635 0.919 32.330 1.00 0.00 C ATOM 875 O ARG A 126 51.414 1.370 31.209 1.00 0.00 O ATOM 876 CB ARG A 126 49.387 -0.147 32.122 1.00 0.00 C ATOM 0 H ARG A 126 50.684 1.608 34.473 1.00 0.00 H new ATOM 0 HA ARG A 126 51.013 -0.872 33.323 1.00 0.00 H new ATOM 879 N GLU A 127 52.785 1.119 32.978 1.00 0.00 N ATOM 880 CA GLU A 127 53.865 1.889 32.396 1.00 0.00 C ATOM 881 C GLU A 127 54.437 1.149 31.194 1.00 0.00 C ATOM 882 O GLU A 127 54.361 1.638 30.069 1.00 0.00 O ATOM 883 CB GLU A 127 54.943 2.128 33.449 1.00 0.00 C ATOM 0 H GLU A 127 52.984 0.753 33.909 1.00 0.00 H new ATOM 0 HA GLU A 127 53.488 2.854 32.057 1.00 0.00 H new ATOM 886 N GLU A 128 55.014 -0.031 31.437 1.00 0.00 N ATOM 887 CA GLU A 128 55.596 -0.831 30.378 1.00 0.00 C ATOM 888 C GLU A 128 56.268 -2.063 30.970 1.00 0.00 C ATOM 889 O GLU A 128 57.466 -2.268 30.785 1.00 0.00 O ATOM 890 CB GLU A 128 56.602 0.011 29.598 1.00 0.00 C ATOM 0 H GLU A 128 55.086 -0.447 32.365 1.00 0.00 H new ATOM 0 HA GLU A 128 54.813 -1.162 29.696 1.00 0.00 H new ATOM 893 N ASP A 129 55.493 -2.884 31.684 1.00 0.00 N ATOM 894 CA ASP A 129 56.014 -4.089 32.298 1.00 0.00 C ATOM 895 C ASP A 129 54.864 -5.005 32.690 1.00 0.00 C ATOM 896 O ASP A 129 54.594 -5.943 31.910 1.00 0.00 O ATOM 897 CB ASP A 129 56.850 -3.717 33.520 1.00 0.00 C ATOM 0 H ASP A 129 54.498 -2.727 31.846 1.00 0.00 H new ATOM 0 HA ASP A 129 56.649 -4.618 31.588 1.00 0.00 H new TER 900 ASP A 129 HETATM 901 FE HEM A 130 42.728 4.400 28.793 1.00 0.00 FE