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 29.252 -18.151 22.216 1.00 0.00 N ATOM 2 CA ALA A 1 30.625 -18.066 21.758 1.00 0.00 C ATOM 3 C ALA A 1 31.311 -16.895 22.446 1.00 0.00 C ATOM 4 O ALA A 1 31.770 -15.966 21.785 1.00 0.00 O ATOM 5 CB ALA A 1 31.342 -19.376 22.071 1.00 0.00 C ATOM 0 H1 ALA A 1 28.779 -18.950 21.748 1.00 0.00 H new ATOM 0 H2 ALA A 1 29.238 -18.295 23.246 1.00 0.00 H new ATOM 0 H3 ALA A 1 28.753 -17.269 21.983 1.00 0.00 H new ATOM 0 HA ALA A 1 30.654 -17.903 20.681 1.00 0.00 H new ATOM 0 HB1 ALA A 1 32.375 -19.316 21.728 1.00 0.00 H new ATOM 0 HB2 ALA A 1 31.326 -19.551 23.147 1.00 0.00 H new ATOM 0 HB3 ALA A 1 30.838 -20.197 21.562 1.00 0.00 H new ATOM 7 N ASP A 2 31.381 -16.941 23.779 1.00 0.00 N ATOM 8 CA ASP A 2 32.010 -15.887 24.549 1.00 0.00 C ATOM 9 C ASP A 2 33.523 -15.996 24.434 1.00 0.00 C ATOM 10 O ASP A 2 34.034 -16.892 23.766 1.00 0.00 O ATOM 11 CB ASP A 2 31.569 -15.992 26.007 1.00 0.00 C ATOM 0 H ASP A 2 31.005 -17.705 24.341 1.00 0.00 H new ATOM 0 HA ASP A 2 31.706 -14.915 24.160 1.00 0.00 H new ATOM 14 N THR A 3 34.241 -15.080 25.089 1.00 0.00 N ATOM 15 CA THR A 3 35.689 -15.076 25.059 1.00 0.00 C ATOM 16 C THR A 3 36.215 -13.861 25.811 1.00 0.00 C ATOM 17 O THR A 3 36.809 -14.000 26.878 1.00 0.00 O ATOM 18 CB THR A 3 36.169 -15.066 23.610 1.00 0.00 C ATOM 0 H THR A 3 33.831 -14.331 25.647 1.00 0.00 H new ATOM 0 HA THR A 3 36.070 -15.974 25.546 1.00 0.00 H new ATOM 21 N LYS A 4 35.997 -12.670 25.248 1.00 0.00 N ATOM 22 CA LYS A 4 36.443 -11.435 25.862 1.00 0.00 C ATOM 23 C LYS A 4 35.665 -10.266 25.275 1.00 0.00 C ATOM 24 O LYS A 4 36.251 -9.360 24.686 1.00 0.00 O ATOM 25 CB LYS A 4 37.941 -11.262 25.628 1.00 0.00 C ATOM 0 H LYS A 4 35.510 -12.544 24.361 1.00 0.00 H new ATOM 0 HA LYS A 4 36.261 -11.468 26.936 1.00 0.00 H new ATOM 28 N GLU A 5 34.340 -10.291 25.438 1.00 0.00 N ATOM 29 CA GLU A 5 33.483 -9.241 24.924 1.00 0.00 C ATOM 30 C GLU A 5 33.603 -8.000 25.797 1.00 0.00 C ATOM 31 O GLU A 5 33.663 -6.883 25.287 1.00 0.00 O ATOM 32 CB GLU A 5 32.041 -9.739 24.893 1.00 0.00 C ATOM 0 H GLU A 5 33.843 -11.036 25.926 1.00 0.00 H new ATOM 0 HA GLU A 5 33.790 -8.978 23.912 1.00 0.00 H new ATOM 35 N VAL A 6 33.644 -8.198 27.117 1.00 0.00 N ATOM 36 CA VAL A 6 33.749 -7.100 28.056 1.00 0.00 C ATOM 37 C VAL A 6 35.051 -6.343 27.845 1.00 0.00 C ATOM 38 O VAL A 6 35.064 -5.115 27.872 1.00 0.00 O ATOM 39 CB VAL A 6 33.661 -7.641 29.481 1.00 0.00 C ATOM 0 H VAL A 6 33.605 -9.119 27.553 1.00 0.00 H new ATOM 0 HA VAL A 6 32.927 -6.404 27.890 1.00 0.00 H new ATOM 42 N LEU A 7 36.149 -7.071 27.628 1.00 0.00 N ATOM 43 CA LEU A 7 37.441 -6.449 27.411 1.00 0.00 C ATOM 44 C LEU A 7 37.441 -5.753 26.058 1.00 0.00 C ATOM 45 O LEU A 7 37.783 -4.578 25.971 1.00 0.00 O ATOM 46 CB LEU A 7 38.535 -7.511 27.477 1.00 0.00 C ATOM 0 H LEU A 7 36.161 -8.091 27.599 1.00 0.00 H new ATOM 0 HA LEU A 7 37.635 -5.707 28.185 1.00 0.00 H new ATOM 49 N GLU A 8 37.064 -6.497 25.014 1.00 0.00 N ATOM 50 CA GLU A 8 37.001 -5.976 23.659 1.00 0.00 C ATOM 51 C GLU A 8 36.249 -4.651 23.613 1.00 0.00 C ATOM 52 O GLU A 8 36.712 -3.690 22.999 1.00 0.00 O ATOM 53 CB GLU A 8 36.330 -7.006 22.755 1.00 0.00 C ATOM 0 H GLU A 8 36.795 -7.478 25.092 1.00 0.00 H new ATOM 0 HA GLU A 8 38.015 -5.789 23.306 1.00 0.00 H new ATOM 56 N ALA A 9 35.093 -4.586 24.277 1.00 0.00 N ATOM 57 CA ALA A 9 34.305 -3.373 24.310 1.00 0.00 C ATOM 58 C ALA A 9 35.159 -2.298 24.950 1.00 0.00 C ATOM 59 O ALA A 9 35.234 -1.179 24.449 1.00 0.00 O ATOM 60 CB ALA A 9 33.023 -3.610 25.103 1.00 0.00 C ATOM 0 H ALA A 9 34.690 -5.365 24.797 1.00 0.00 H new ATOM 0 HA ALA A 9 34.012 -3.063 23.307 1.00 0.00 H new ATOM 0 HB1 ALA A 9 32.434 -2.693 25.124 1.00 0.00 H new ATOM 0 HB2 ALA A 9 32.444 -4.403 24.630 1.00 0.00 H new ATOM 0 HB3 ALA A 9 33.275 -3.904 26.122 1.00 0.00 H new ATOM 63 N ARG A 10 35.819 -2.646 26.056 1.00 0.00 N ATOM 64 CA ARG A 10 36.700 -1.724 26.736 1.00 0.00 C ATOM 65 C ARG A 10 37.788 -1.292 25.765 1.00 0.00 C ATOM 66 O ARG A 10 38.289 -0.172 25.854 1.00 0.00 O ATOM 67 CB ARG A 10 37.303 -2.406 27.960 1.00 0.00 C ATOM 0 H ARG A 10 35.753 -3.565 26.493 1.00 0.00 H new ATOM 0 HA ARG A 10 36.150 -0.845 27.072 1.00 0.00 H new ATOM 70 N GLU A 11 38.146 -2.169 24.821 1.00 0.00 N ATOM 71 CA GLU A 11 39.165 -1.839 23.846 1.00 0.00 C ATOM 72 C GLU A 11 38.647 -0.666 23.031 1.00 0.00 C ATOM 73 O GLU A 11 39.394 0.250 22.692 1.00 0.00 O ATOM 74 CB GLU A 11 39.439 -3.048 22.957 1.00 0.00 C ATOM 0 H GLU A 11 37.744 -3.101 24.720 1.00 0.00 H new ATOM 0 HA GLU A 11 40.104 -1.569 24.330 1.00 0.00 H new ATOM 77 N ALA A 12 37.346 -0.701 22.741 1.00 0.00 N ATOM 78 CA ALA A 12 36.691 0.345 21.978 1.00 0.00 C ATOM 79 C ALA A 12 36.649 1.619 22.809 1.00 0.00 C ATOM 80 O ALA A 12 36.891 2.709 22.296 1.00 0.00 O ATOM 81 CB ALA A 12 35.276 -0.107 21.624 1.00 0.00 C ATOM 0 H ALA A 12 36.724 -1.456 23.030 1.00 0.00 H new ATOM 0 HA ALA A 12 37.242 0.542 21.058 1.00 0.00 H new ATOM 0 HB1 ALA A 12 34.777 0.674 21.050 1.00 0.00 H new ATOM 0 HB2 ALA A 12 35.324 -1.019 21.030 1.00 0.00 H new ATOM 0 HB3 ALA A 12 34.716 -0.299 22.539 1.00 0.00 H new ATOM 84 N TYR A 13 36.346 1.472 24.101 1.00 0.00 N ATOM 85 CA TYR A 13 36.276 2.600 25.008 1.00 0.00 C ATOM 86 C TYR A 13 37.634 3.285 25.066 1.00 0.00 C ATOM 87 O TYR A 13 37.720 4.483 25.333 1.00 0.00 O ATOM 88 CB TYR A 13 35.856 2.114 26.391 1.00 0.00 C ATOM 0 H TYR A 13 36.145 0.572 24.537 1.00 0.00 H new ATOM 0 HA TYR A 13 35.537 3.319 24.653 1.00 0.00 H new ATOM 91 N PHE A 14 38.695 2.522 24.791 1.00 0.00 N ATOM 92 CA PHE A 14 40.044 3.050 24.805 1.00 0.00 C ATOM 93 C PHE A 14 40.256 3.844 23.526 1.00 0.00 C ATOM 94 O PHE A 14 40.865 4.911 23.547 1.00 0.00 O ATOM 95 CB PHE A 14 41.041 1.899 24.904 1.00 0.00 C ATOM 0 H PHE A 14 38.635 1.531 24.556 1.00 0.00 H new ATOM 0 HA PHE A 14 40.195 3.702 25.665 1.00 0.00 H new ATOM 98 N LYS A 15 39.740 3.320 22.412 1.00 0.00 N ATOM 99 CA LYS A 15 39.850 3.983 21.130 1.00 0.00 C ATOM 100 C LYS A 15 39.010 5.252 21.151 1.00 0.00 C ATOM 101 O LYS A 15 39.331 6.223 20.470 1.00 0.00 O ATOM 102 CB LYS A 15 39.378 3.039 20.028 1.00 0.00 C ATOM 0 H LYS A 15 39.240 2.431 22.382 1.00 0.00 H new ATOM 0 HA LYS A 15 40.888 4.252 20.934 1.00 0.00 H new ATOM 105 N SER A 16 37.935 5.243 21.944 1.00 0.00 N ATOM 106 CA SER A 16 37.057 6.391 22.059 1.00 0.00 C ATOM 107 C SER A 16 37.801 7.537 22.731 1.00 0.00 C ATOM 108 O SER A 16 38.071 8.558 22.101 1.00 0.00 O ATOM 109 CB SER A 16 35.817 6.005 22.861 1.00 0.00 C ATOM 0 H SER A 16 37.658 4.445 22.515 1.00 0.00 H new ATOM 0 HA SER A 16 36.742 6.717 21.068 1.00 0.00 H new ATOM 112 N LEU A 17 38.131 7.370 24.014 1.00 0.00 N ATOM 113 CA LEU A 17 38.851 8.391 24.748 1.00 0.00 C ATOM 114 C LEU A 17 40.180 8.649 24.051 1.00 0.00 C ATOM 115 O LEU A 17 40.692 9.767 24.062 1.00 0.00 O ATOM 116 CB LEU A 17 39.073 7.924 26.184 1.00 0.00 C ATOM 0 H LEU A 17 37.908 6.536 24.557 1.00 0.00 H new ATOM 0 HA LEU A 17 38.277 9.317 24.774 1.00 0.00 H new ATOM 119 N GLY A 18 40.722 7.603 23.425 1.00 0.00 N ATOM 120 CA GLY A 18 41.981 7.691 22.718 1.00 0.00 C ATOM 121 C GLY A 18 41.803 8.493 21.438 1.00 0.00 C ATOM 122 O GLY A 18 42.770 9.045 20.916 1.00 0.00 O ATOM 0 H GLY A 18 40.294 6.677 23.399 1.00 0.00 H new ATOM 0 HA2 GLY A 18 42.731 8.164 23.352 1.00 0.00 H new ATOM 0 HA3 GLY A 18 42.346 6.691 22.483 1.00 0.00 H new ATOM 126 N GLY A 19 40.568 8.577 20.934 1.00 0.00 N ATOM 127 CA GLY A 19 40.283 9.318 19.723 1.00 0.00 C ATOM 128 C GLY A 19 40.239 10.798 20.065 1.00 0.00 C ATOM 129 O GLY A 19 40.748 11.629 19.315 1.00 0.00 O ATOM 0 H GLY A 19 39.752 8.135 21.356 1.00 0.00 H new ATOM 0 HA2 GLY A 19 41.049 9.125 18.971 1.00 0.00 H new ATOM 0 HA3 GLY A 19 39.331 8.999 19.298 1.00 0.00 H new ATOM 133 N SER A 20 39.639 11.123 21.213 1.00 0.00 N ATOM 134 CA SER A 20 39.563 12.497 21.666 1.00 0.00 C ATOM 135 C SER A 20 40.991 13.020 21.791 1.00 0.00 C ATOM 136 O SER A 20 41.288 14.114 21.321 1.00 0.00 O ATOM 137 CB SER A 20 38.851 12.545 23.015 1.00 0.00 C ATOM 0 H SER A 20 39.202 10.447 21.839 1.00 0.00 H new ATOM 0 HA SER A 20 39.002 13.114 20.964 1.00 0.00 H new ATOM 140 N MET A 21 41.876 12.238 22.423 1.00 0.00 N ATOM 141 CA MET A 21 43.273 12.589 22.600 1.00 0.00 C ATOM 142 C MET A 21 43.991 12.847 21.277 1.00 0.00 C ATOM 143 O MET A 21 44.714 13.830 21.150 1.00 0.00 O ATOM 144 CB MET A 21 43.968 11.458 23.353 1.00 0.00 C ATOM 0 H MET A 21 41.629 11.335 22.827 1.00 0.00 H new ATOM 0 HA MET A 21 43.315 13.520 23.166 1.00 0.00 H new ATOM 147 N LYS A 22 43.814 11.948 20.306 1.00 0.00 N ATOM 148 CA LYS A 22 44.465 12.076 19.010 1.00 0.00 C ATOM 149 C LYS A 22 43.968 13.318 18.277 1.00 0.00 C ATOM 150 O LYS A 22 44.740 14.229 17.986 1.00 0.00 O ATOM 151 CB LYS A 22 44.198 10.821 18.184 1.00 0.00 C ATOM 0 H LYS A 22 43.222 11.122 20.398 1.00 0.00 H new ATOM 0 HA LYS A 22 45.539 12.185 19.159 1.00 0.00 H new ATOM 154 N ALA A 23 42.666 13.339 17.989 1.00 0.00 N ATOM 155 CA ALA A 23 42.051 14.471 17.309 1.00 0.00 C ATOM 156 C ALA A 23 42.256 15.755 18.118 1.00 0.00 C ATOM 157 O ALA A 23 42.200 16.859 17.580 1.00 0.00 O ATOM 158 CB ALA A 23 40.563 14.192 17.110 1.00 0.00 C ATOM 0 H ALA A 23 42.020 12.583 18.218 1.00 0.00 H new ATOM 0 HA ALA A 23 42.522 14.608 16.336 1.00 0.00 H new ATOM 0 HB1 ALA A 23 40.099 15.037 16.601 1.00 0.00 H new ATOM 0 HB2 ALA A 23 40.439 13.293 16.507 1.00 0.00 H new ATOM 0 HB3 ALA A 23 40.087 14.047 18.080 1.00 0.00 H new ATOM 161 N MET A 24 42.504 15.581 19.417 1.00 0.00 N ATOM 162 CA MET A 24 42.711 16.681 20.338 1.00 0.00 C ATOM 163 C MET A 24 44.135 17.212 20.234 1.00 0.00 C ATOM 164 O MET A 24 44.350 18.421 20.235 1.00 0.00 O ATOM 165 CB MET A 24 42.417 16.209 21.759 1.00 0.00 C ATOM 0 H MET A 24 42.566 14.662 19.855 1.00 0.00 H new ATOM 0 HA MET A 24 42.033 17.495 20.081 1.00 0.00 H new ATOM 168 N THR A 25 45.106 16.299 20.153 1.00 0.00 N ATOM 169 CA THR A 25 46.509 16.655 20.081 1.00 0.00 C ATOM 170 C THR A 25 46.862 17.225 18.716 1.00 0.00 C ATOM 171 O THR A 25 47.703 18.117 18.618 1.00 0.00 O ATOM 172 CB THR A 25 47.356 15.421 20.381 1.00 0.00 C ATOM 0 H THR A 25 44.933 15.294 20.136 1.00 0.00 H new ATOM 0 HA THR A 25 46.715 17.428 20.822 1.00 0.00 H new ATOM 175 N GLY A 26 46.220 16.727 17.657 1.00 0.00 N ATOM 176 CA GLY A 26 46.480 17.206 16.316 1.00 0.00 C ATOM 177 C GLY A 26 45.799 18.556 16.167 1.00 0.00 C ATOM 178 O GLY A 26 46.402 19.514 15.688 1.00 0.00 O ATOM 0 H GLY A 26 45.516 15.991 17.712 1.00 0.00 H new ATOM 0 HA2 GLY A 26 47.552 17.298 16.144 1.00 0.00 H new ATOM 0 HA3 GLY A 26 46.098 16.501 15.577 1.00 0.00 H new ATOM 182 N VAL A 27 44.538 18.627 16.599 1.00 0.00 N ATOM 183 CA VAL A 27 43.792 19.865 16.553 1.00 0.00 C ATOM 184 C VAL A 27 44.514 20.863 17.446 1.00 0.00 C ATOM 185 O VAL A 27 44.537 22.058 17.165 1.00 0.00 O ATOM 186 CB VAL A 27 42.367 19.623 17.042 1.00 0.00 C ATOM 0 H VAL A 27 44.021 17.836 16.983 1.00 0.00 H new ATOM 0 HA VAL A 27 43.731 20.253 15.536 1.00 0.00 H new ATOM 189 N ALA A 28 45.119 20.361 18.524 1.00 0.00 N ATOM 190 CA ALA A 28 45.852 21.197 19.450 1.00 0.00 C ATOM 191 C ALA A 28 47.023 21.867 18.746 1.00 0.00 C ATOM 192 O ALA A 28 47.262 23.056 18.943 1.00 0.00 O ATOM 193 CB ALA A 28 46.343 20.350 20.621 1.00 0.00 C ATOM 0 H ALA A 28 45.110 19.371 18.770 1.00 0.00 H new ATOM 0 HA ALA A 28 45.193 21.978 19.828 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.895 20.979 21.319 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.489 19.905 21.131 1.00 0.00 H new ATOM 0 HB3 ALA A 28 46.996 19.560 20.250 1.00 0.00 H new ATOM 196 N LYS A 29 47.752 21.111 17.920 1.00 0.00 N ATOM 197 CA LYS A 29 48.899 21.640 17.208 1.00 0.00 C ATOM 198 C LYS A 29 48.456 22.500 16.031 1.00 0.00 C ATOM 199 O LYS A 29 48.520 23.725 16.110 1.00 0.00 O ATOM 200 CB LYS A 29 49.773 20.484 16.729 1.00 0.00 C ATOM 0 H LYS A 29 47.560 20.127 17.733 1.00 0.00 H new ATOM 0 HA LYS A 29 49.476 22.272 17.883 1.00 0.00 H new ATOM 203 N ALA A 30 48.017 21.852 14.946 1.00 0.00 N ATOM 204 CA ALA A 30 47.578 22.535 13.741 1.00 0.00 C ATOM 205 C ALA A 30 46.089 22.836 13.830 1.00 0.00 C ATOM 206 O ALA A 30 45.305 22.336 13.026 1.00 0.00 O ATOM 207 CB ALA A 30 47.868 21.648 12.534 1.00 0.00 C ATOM 0 H ALA A 30 47.959 20.835 14.887 1.00 0.00 H new ATOM 0 HA ALA A 30 48.115 23.478 13.634 1.00 0.00 H new ATOM 0 HB1 ALA A 30 47.542 22.153 11.625 1.00 0.00 H new ATOM 0 HB2 ALA A 30 48.939 21.452 12.476 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.331 20.705 12.638 1.00 0.00 H new ATOM 210 N PHE A 31 45.700 23.655 14.808 1.00 0.00 N ATOM 211 CA PHE A 31 44.309 24.012 14.999 1.00 0.00 C ATOM 212 C PHE A 31 43.824 24.910 13.873 1.00 0.00 C ATOM 213 O PHE A 31 44.558 25.185 12.926 1.00 0.00 O ATOM 214 CB PHE A 31 44.141 24.705 16.348 1.00 0.00 C ATOM 0 H PHE A 31 46.339 24.081 15.479 1.00 0.00 H new ATOM 0 HA PHE A 31 43.706 23.104 14.986 1.00 0.00 H new ATOM 217 N ASP A 32 42.576 25.365 13.987 1.00 0.00 N ATOM 218 CA ASP A 32 41.971 26.226 12.993 1.00 0.00 C ATOM 219 C ASP A 32 40.510 26.446 13.354 1.00 0.00 C ATOM 220 O ASP A 32 40.113 27.568 13.662 1.00 0.00 O ATOM 221 CB ASP A 32 42.101 25.584 11.615 1.00 0.00 C ATOM 0 H ASP A 32 41.964 25.143 14.772 1.00 0.00 H new ATOM 0 HA ASP A 32 42.478 27.191 12.970 1.00 0.00 H new ATOM 224 N ALA A 33 39.721 25.367 13.327 1.00 0.00 N ATOM 225 CA ALA A 33 38.308 25.423 13.650 1.00 0.00 C ATOM 226 C ALA A 33 37.648 24.102 13.280 1.00 0.00 C ATOM 227 O ALA A 33 36.939 23.508 14.091 1.00 0.00 O ATOM 228 CB ALA A 33 37.646 26.567 12.885 1.00 0.00 C ATOM 0 H ALA A 33 40.052 24.435 13.080 1.00 0.00 H new ATOM 0 HA ALA A 33 38.190 25.597 14.719 1.00 0.00 H new ATOM 0 HB1 ALA A 33 36.585 26.604 13.132 1.00 0.00 H new ATOM 0 HB2 ALA A 33 38.116 27.510 13.163 1.00 0.00 H new ATOM 0 HB3 ALA A 33 37.764 26.404 11.814 1.00 0.00 H new ATOM 231 N GLU A 34 37.889 23.643 12.050 1.00 0.00 N ATOM 232 CA GLU A 34 37.306 22.414 11.550 1.00 0.00 C ATOM 233 C GLU A 34 37.780 21.198 12.334 1.00 0.00 C ATOM 234 O GLU A 34 36.964 20.382 12.756 1.00 0.00 O ATOM 235 CB GLU A 34 37.652 22.262 10.072 1.00 0.00 C ATOM 0 H GLU A 34 38.494 24.118 11.380 1.00 0.00 H new ATOM 0 HA GLU A 34 36.225 22.472 11.675 1.00 0.00 H new ATOM 238 N ALA A 35 39.095 21.064 12.529 1.00 0.00 N ATOM 239 CA ALA A 35 39.657 19.927 13.232 1.00 0.00 C ATOM 240 C ALA A 35 39.120 19.836 14.653 1.00 0.00 C ATOM 241 O ALA A 35 38.595 18.796 15.044 1.00 0.00 O ATOM 242 CB ALA A 35 41.179 20.046 13.243 1.00 0.00 C ATOM 0 H ALA A 35 39.787 21.739 12.204 1.00 0.00 H new ATOM 0 HA ALA A 35 39.365 19.014 12.713 1.00 0.00 H new ATOM 0 HB1 ALA A 35 41.607 19.193 13.770 1.00 0.00 H new ATOM 0 HB2 ALA A 35 41.550 20.062 12.218 1.00 0.00 H new ATOM 0 HB3 ALA A 35 41.468 20.968 13.748 1.00 0.00 H new ATOM 245 N ALA A 36 39.266 20.919 15.423 1.00 0.00 N ATOM 246 CA ALA A 36 38.812 20.966 16.801 1.00 0.00 C ATOM 247 C ALA A 36 37.370 20.495 16.918 1.00 0.00 C ATOM 248 O ALA A 36 37.072 19.622 17.729 1.00 0.00 O ATOM 249 CB ALA A 36 38.956 22.391 17.329 1.00 0.00 C ATOM 0 H ALA A 36 39.703 21.783 15.101 1.00 0.00 H new ATOM 0 HA ALA A 36 39.427 20.294 17.399 1.00 0.00 H new ATOM 0 HB1 ALA A 36 38.616 22.432 18.364 1.00 0.00 H new ATOM 0 HB2 ALA A 36 40.002 22.694 17.278 1.00 0.00 H new ATOM 0 HB3 ALA A 36 38.353 23.066 16.722 1.00 0.00 H new ATOM 252 N LYS A 37 36.479 21.076 16.110 1.00 0.00 N ATOM 253 CA LYS A 37 35.075 20.714 16.122 1.00 0.00 C ATOM 254 C LYS A 37 34.902 19.207 15.968 1.00 0.00 C ATOM 255 O LYS A 37 34.134 18.593 16.706 1.00 0.00 O ATOM 256 CB LYS A 37 34.354 21.453 14.998 1.00 0.00 C ATOM 0 H LYS A 37 36.717 21.804 15.437 1.00 0.00 H new ATOM 0 HA LYS A 37 34.642 21.002 17.080 1.00 0.00 H new ATOM 259 N VAL A 38 35.621 18.610 15.015 1.00 0.00 N ATOM 260 CA VAL A 38 35.535 17.184 14.764 1.00 0.00 C ATOM 261 C VAL A 38 36.062 16.385 15.949 1.00 0.00 C ATOM 262 O VAL A 38 35.519 15.331 16.285 1.00 0.00 O ATOM 263 CB VAL A 38 36.323 16.849 13.500 1.00 0.00 C ATOM 0 H VAL A 38 36.272 19.103 14.404 1.00 0.00 H new ATOM 0 HA VAL A 38 34.489 16.912 14.624 1.00 0.00 H new ATOM 266 N GLU A 39 37.107 16.887 16.612 1.00 0.00 N ATOM 267 CA GLU A 39 37.686 16.196 17.740 1.00 0.00 C ATOM 268 C GLU A 39 36.650 16.214 18.847 1.00 0.00 C ATOM 269 O GLU A 39 36.412 15.196 19.489 1.00 0.00 O ATOM 270 CB GLU A 39 38.968 16.900 18.174 1.00 0.00 C ATOM 0 H GLU A 39 37.561 17.770 16.378 1.00 0.00 H new ATOM 0 HA GLU A 39 37.949 15.169 17.488 1.00 0.00 H new ATOM 273 N ALA A 40 36.039 17.382 19.056 1.00 0.00 N ATOM 274 CA ALA A 40 35.001 17.546 20.053 1.00 0.00 C ATOM 275 C ALA A 40 33.913 16.504 19.834 1.00 0.00 C ATOM 276 O ALA A 40 33.424 15.912 20.791 1.00 0.00 O ATOM 277 CB ALA A 40 34.427 18.956 19.960 1.00 0.00 C ATOM 0 H ALA A 40 36.255 18.233 18.536 1.00 0.00 H new ATOM 0 HA ALA A 40 35.419 17.405 21.050 1.00 0.00 H new ATOM 0 HB1 ALA A 40 33.646 19.081 20.710 1.00 0.00 H new ATOM 0 HB2 ALA A 40 35.219 19.684 20.137 1.00 0.00 H new ATOM 0 HB3 ALA A 40 34.005 19.112 18.967 1.00 0.00 H new ATOM 280 N ALA A 41 33.531 16.277 18.575 1.00 0.00 N ATOM 281 CA ALA A 41 32.511 15.296 18.254 1.00 0.00 C ATOM 282 C ALA A 41 32.921 13.938 18.813 1.00 0.00 C ATOM 283 O ALA A 41 32.153 13.287 19.524 1.00 0.00 O ATOM 284 CB ALA A 41 32.331 15.227 16.740 1.00 0.00 C ATOM 0 H ALA A 41 33.917 16.763 17.766 1.00 0.00 H new ATOM 0 HA ALA A 41 31.561 15.585 18.704 1.00 0.00 H new ATOM 0 HB1 ALA A 41 31.565 14.490 16.498 1.00 0.00 H new ATOM 0 HB2 ALA A 41 32.026 16.204 16.365 1.00 0.00 H new ATOM 0 HB3 ALA A 41 33.273 14.937 16.274 1.00 0.00 H new ATOM 287 N LYS A 42 34.155 13.525 18.514 1.00 0.00 N ATOM 288 CA LYS A 42 34.652 12.255 19.005 1.00 0.00 C ATOM 289 C LYS A 42 34.635 12.326 20.525 1.00 0.00 C ATOM 290 O LYS A 42 34.317 11.351 21.207 1.00 0.00 O ATOM 291 CB LYS A 42 36.067 12.021 18.482 1.00 0.00 C ATOM 0 H LYS A 42 34.815 14.050 17.941 1.00 0.00 H new ATOM 0 HA LYS A 42 34.034 11.425 18.663 1.00 0.00 H new ATOM 294 N LEU A 43 34.960 13.514 21.040 1.00 0.00 N ATOM 295 CA LEU A 43 34.986 13.764 22.462 1.00 0.00 C ATOM 296 C LEU A 43 33.640 13.385 23.048 1.00 0.00 C ATOM 297 O LEU A 43 33.563 12.383 23.749 1.00 0.00 O ATOM 298 CB LEU A 43 35.314 15.230 22.730 1.00 0.00 C ATOM 0 H LEU A 43 35.211 14.323 20.472 1.00 0.00 H new ATOM 0 HA LEU A 43 35.761 13.161 22.936 1.00 0.00 H new ATOM 301 N GLU A 44 32.599 14.170 22.740 1.00 0.00 N ATOM 302 CA GLU A 44 31.246 13.949 23.220 1.00 0.00 C ATOM 303 C GLU A 44 30.856 12.479 23.204 1.00 0.00 C ATOM 304 O GLU A 44 30.229 12.004 24.148 1.00 0.00 O ATOM 305 CB GLU A 44 30.277 14.764 22.368 1.00 0.00 C ATOM 0 H GLU A 44 32.685 14.989 22.138 1.00 0.00 H new ATOM 0 HA GLU A 44 31.200 14.273 24.260 1.00 0.00 H new ATOM 308 N LYS A 45 31.229 11.745 22.152 1.00 0.00 N ATOM 309 CA LYS A 45 30.913 10.331 22.084 1.00 0.00 C ATOM 310 C LYS A 45 31.569 9.611 23.259 1.00 0.00 C ATOM 311 O LYS A 45 30.970 8.725 23.866 1.00 0.00 O ATOM 312 CB LYS A 45 31.407 9.763 20.757 1.00 0.00 C ATOM 0 H LYS A 45 31.743 12.108 21.349 1.00 0.00 H new ATOM 0 HA LYS A 45 29.834 10.186 22.143 1.00 0.00 H new ATOM 315 N ILE A 46 32.804 10.008 23.577 1.00 0.00 N ATOM 316 CA ILE A 46 33.543 9.401 24.674 1.00 0.00 C ATOM 317 C ILE A 46 33.025 9.884 26.029 1.00 0.00 C ATOM 318 O ILE A 46 32.778 9.086 26.930 1.00 0.00 O ATOM 319 CB ILE A 46 35.025 9.727 24.521 1.00 0.00 C ATOM 0 H ILE A 46 33.308 10.747 23.087 1.00 0.00 H new ATOM 0 HA ILE A 46 33.400 8.321 24.637 1.00 0.00 H new ATOM 322 N LEU A 47 32.879 11.202 26.156 1.00 0.00 N ATOM 323 CA LEU A 47 32.421 11.835 27.375 1.00 0.00 C ATOM 324 C LEU A 47 31.159 11.189 27.933 1.00 0.00 C ATOM 325 O LEU A 47 31.132 10.815 29.104 1.00 0.00 O ATOM 326 CB LEU A 47 32.184 13.319 27.109 1.00 0.00 C ATOM 0 H LEU A 47 33.079 11.860 25.403 1.00 0.00 H new ATOM 0 HA LEU A 47 33.196 11.706 28.130 1.00 0.00 H new ATOM 329 N ALA A 48 30.108 11.079 27.114 1.00 0.00 N ATOM 330 CA ALA A 48 28.837 10.522 27.538 1.00 0.00 C ATOM 331 C ALA A 48 28.849 8.998 27.523 1.00 0.00 C ATOM 332 O ALA A 48 27.793 8.385 27.662 1.00 0.00 O ATOM 333 CB ALA A 48 27.733 11.050 26.626 1.00 0.00 C ATOM 0 H ALA A 48 30.123 11.377 26.139 1.00 0.00 H new ATOM 0 HA ALA A 48 28.653 10.831 28.567 1.00 0.00 H new ATOM 0 HB1 ALA A 48 26.774 10.636 26.938 1.00 0.00 H new ATOM 0 HB2 ALA A 48 27.697 12.137 26.690 1.00 0.00 H new ATOM 0 HB3 ALA A 48 27.938 10.754 25.597 1.00 0.00 H new ATOM 336 N THR A 49 30.023 8.390 27.321 1.00 0.00 N ATOM 337 CA THR A 49 30.154 6.946 27.237 1.00 0.00 C ATOM 338 C THR A 49 29.429 6.217 28.360 1.00 0.00 C ATOM 339 O THR A 49 28.461 5.512 28.084 1.00 0.00 O ATOM 340 CB THR A 49 31.632 6.564 27.230 1.00 0.00 C ATOM 0 H THR A 49 30.904 8.892 27.212 1.00 0.00 H new ATOM 0 HA THR A 49 29.681 6.634 26.306 1.00 0.00 H new ATOM 343 N ASP A 50 29.929 6.375 29.594 1.00 0.00 N ATOM 344 CA ASP A 50 29.403 5.748 30.800 1.00 0.00 C ATOM 345 C ASP A 50 30.261 4.527 31.091 1.00 0.00 C ATOM 346 O ASP A 50 29.763 3.404 31.137 1.00 0.00 O ATOM 347 CB ASP A 50 27.918 5.400 30.706 1.00 0.00 C ATOM 0 H ASP A 50 30.740 6.965 29.779 1.00 0.00 H new ATOM 0 HA ASP A 50 29.458 6.458 31.625 1.00 0.00 H new ATOM 350 N VAL A 51 31.564 4.767 31.271 1.00 0.00 N ATOM 351 CA VAL A 51 32.550 3.733 31.514 1.00 0.00 C ATOM 352 C VAL A 51 32.114 2.709 32.549 1.00 0.00 C ATOM 353 O VAL A 51 32.497 1.545 32.447 1.00 0.00 O ATOM 354 CB VAL A 51 33.857 4.391 31.947 1.00 0.00 C ATOM 0 H VAL A 51 31.961 5.706 31.250 1.00 0.00 H new ATOM 0 HA VAL A 51 32.679 3.183 30.582 1.00 0.00 H new ATOM 357 N ALA A 52 31.323 3.110 33.548 1.00 0.00 N ATOM 358 CA ALA A 52 30.884 2.185 34.572 1.00 0.00 C ATOM 359 C ALA A 52 30.116 1.049 33.915 1.00 0.00 C ATOM 360 O ALA A 52 28.919 0.896 34.146 1.00 0.00 O ATOM 361 CB ALA A 52 30.006 2.922 35.580 1.00 0.00 C ATOM 0 H ALA A 52 30.981 4.064 33.661 1.00 0.00 H new ATOM 0 HA ALA A 52 31.743 1.771 35.101 1.00 0.00 H new ATOM 0 HB1 ALA A 52 29.675 2.226 36.351 1.00 0.00 H new ATOM 0 HB2 ALA A 52 30.578 3.728 36.040 1.00 0.00 H new ATOM 0 HB3 ALA A 52 29.137 3.338 35.070 1.00 0.00 H new ATOM 364 N PRO A 53 30.807 0.257 33.090 1.00 0.00 N ATOM 365 CA PRO A 53 30.182 -0.852 32.398 1.00 0.00 C ATOM 366 C PRO A 53 31.210 -1.666 31.624 1.00 0.00 C ATOM 367 O PRO A 53 30.901 -2.780 31.205 1.00 0.00 O ATOM 368 CB PRO A 53 29.458 -1.740 33.407 1.00 0.00 C ATOM 0 HA PRO A 53 29.463 -0.453 31.682 1.00 0.00 H new ATOM 370 N LEU A 54 32.422 -1.120 31.449 1.00 0.00 N ATOM 371 CA LEU A 54 33.501 -1.779 30.734 1.00 0.00 C ATOM 372 C LEU A 54 34.455 -2.436 31.725 1.00 0.00 C ATOM 373 O LEU A 54 34.562 -3.660 31.762 1.00 0.00 O ATOM 374 CB LEU A 54 34.246 -0.743 29.896 1.00 0.00 C ATOM 0 H LEU A 54 32.674 -0.199 31.807 1.00 0.00 H new ATOM 0 HA LEU A 54 33.093 -2.551 30.081 1.00 0.00 H new ATOM 377 N PHE A 55 35.156 -1.626 32.527 1.00 0.00 N ATOM 378 CA PHE A 55 36.108 -2.139 33.490 1.00 0.00 C ATOM 379 C PHE A 55 35.388 -2.853 34.623 1.00 0.00 C ATOM 380 O PHE A 55 35.972 -3.091 35.678 1.00 0.00 O ATOM 381 CB PHE A 55 36.958 -0.991 34.027 1.00 0.00 C ATOM 0 H PHE A 55 35.073 -0.609 32.519 1.00 0.00 H new ATOM 0 HA PHE A 55 36.760 -2.862 33.000 1.00 0.00 H new ATOM 384 N PRO A 56 34.116 -3.192 34.407 1.00 0.00 N ATOM 385 CA PRO A 56 33.338 -3.890 35.408 1.00 0.00 C ATOM 386 C PRO A 56 33.820 -5.331 35.476 1.00 0.00 C ATOM 387 O PRO A 56 34.982 -5.608 35.186 1.00 0.00 O ATOM 388 CB PRO A 56 31.859 -3.829 35.036 1.00 0.00 C ATOM 0 HA PRO A 56 33.464 -3.424 36.385 1.00 0.00 H new ATOM 390 N ALA A 57 32.925 -6.247 35.853 1.00 0.00 N ATOM 391 CA ALA A 57 33.259 -7.654 35.936 1.00 0.00 C ATOM 392 C ALA A 57 33.827 -8.116 34.601 1.00 0.00 C ATOM 393 O ALA A 57 33.071 -8.541 33.729 1.00 0.00 O ATOM 394 CB ALA A 57 32.008 -8.451 36.296 1.00 0.00 C ATOM 0 H ALA A 57 31.961 -6.029 36.105 1.00 0.00 H new ATOM 0 HA ALA A 57 34.009 -7.816 36.710 1.00 0.00 H new ATOM 0 HB1 ALA A 57 32.257 -9.510 36.359 1.00 0.00 H new ATOM 0 HB2 ALA A 57 31.624 -8.111 37.258 1.00 0.00 H new ATOM 0 HB3 ALA A 57 31.248 -8.302 35.529 1.00 0.00 H new ATOM 397 N GLY A 58 35.155 -8.024 34.456 1.00 0.00 N ATOM 398 CA GLY A 58 35.851 -8.421 33.244 1.00 0.00 C ATOM 399 C GLY A 58 37.190 -9.041 33.617 1.00 0.00 C ATOM 400 O GLY A 58 37.655 -9.964 32.952 1.00 0.00 O ATOM 0 H GLY A 58 35.773 -7.669 35.186 1.00 0.00 H new ATOM 0 HA2 GLY A 58 35.249 -9.136 32.682 1.00 0.00 H new ATOM 0 HA3 GLY A 58 36.004 -7.556 32.598 1.00 0.00 H new ATOM 404 N THR A 59 37.798 -8.534 34.691 1.00 0.00 N ATOM 405 CA THR A 59 39.071 -9.034 35.171 1.00 0.00 C ATOM 406 C THR A 59 39.226 -8.649 36.634 1.00 0.00 C ATOM 407 O THR A 59 39.168 -9.505 37.514 1.00 0.00 O ATOM 408 CB THR A 59 40.202 -8.449 34.329 1.00 0.00 C ATOM 0 H THR A 59 37.417 -7.768 35.246 1.00 0.00 H new ATOM 0 HA THR A 59 39.110 -10.120 35.083 1.00 0.00 H new ATOM 411 N SER A 60 39.423 -7.354 36.892 1.00 0.00 N ATOM 412 CA SER A 60 39.570 -6.851 38.243 1.00 0.00 C ATOM 413 C SER A 60 40.746 -7.527 38.934 1.00 0.00 C ATOM 414 O SER A 60 40.584 -8.577 39.551 1.00 0.00 O ATOM 415 CB SER A 60 38.278 -7.099 39.017 1.00 0.00 C ATOM 0 H SER A 60 39.483 -6.636 36.170 1.00 0.00 H new ATOM 0 HA SER A 60 39.767 -5.779 38.211 1.00 0.00 H new ATOM 418 N SER A 61 41.929 -6.916 38.840 1.00 0.00 N ATOM 419 CA SER A 61 43.120 -7.460 39.462 1.00 0.00 C ATOM 420 C SER A 61 43.354 -8.884 38.980 1.00 0.00 C ATOM 421 O SER A 61 43.495 -9.800 39.788 1.00 0.00 O ATOM 422 CB SER A 61 42.962 -7.424 40.980 1.00 0.00 C ATOM 0 H SER A 61 42.079 -6.042 38.336 1.00 0.00 H new ATOM 0 HA SER A 61 43.985 -6.858 39.183 1.00 0.00 H new ATOM 425 N THR A 62 43.395 -9.069 37.658 1.00 0.00 N ATOM 426 CA THR A 62 43.616 -10.377 37.076 1.00 0.00 C ATOM 427 C THR A 62 43.500 -10.296 35.560 1.00 0.00 C ATOM 428 O THR A 62 42.897 -9.364 35.033 1.00 0.00 O ATOM 429 CB THR A 62 42.604 -11.368 37.643 1.00 0.00 C ATOM 0 H THR A 62 43.276 -8.320 36.976 1.00 0.00 H new ATOM 0 HA THR A 62 44.619 -10.722 37.326 1.00 0.00 H new ATOM 432 N ASP A 63 44.083 -11.278 34.868 1.00 0.00 N ATOM 433 CA ASP A 63 44.056 -11.335 33.419 1.00 0.00 C ATOM 434 C ASP A 63 44.985 -12.444 32.946 1.00 0.00 C ATOM 435 O ASP A 63 44.531 -13.517 32.555 1.00 0.00 O ATOM 436 CB ASP A 63 44.492 -9.993 32.838 1.00 0.00 C ATOM 0 H ASP A 63 44.585 -12.052 35.304 1.00 0.00 H new ATOM 0 HA ASP A 63 43.042 -11.546 33.078 1.00 0.00 H new ATOM 439 N LEU A 64 46.292 -12.174 32.982 1.00 0.00 N ATOM 440 CA LEU A 64 47.293 -13.136 32.568 1.00 0.00 C ATOM 441 C LEU A 64 48.671 -12.592 32.914 1.00 0.00 C ATOM 442 O LEU A 64 49.444 -13.244 33.613 1.00 0.00 O ATOM 443 CB LEU A 64 47.169 -13.388 31.068 1.00 0.00 C ATOM 0 H LEU A 64 46.676 -11.284 33.299 1.00 0.00 H new ATOM 0 HA LEU A 64 47.145 -14.083 33.087 1.00 0.00 H new ATOM 446 N PRO A 65 48.971 -11.387 32.426 1.00 0.00 N ATOM 447 CA PRO A 65 50.240 -10.739 32.687 1.00 0.00 C ATOM 448 C PRO A 65 51.388 -11.547 32.098 1.00 0.00 C ATOM 449 O PRO A 65 52.506 -11.473 32.604 1.00 0.00 O ATOM 450 CB PRO A 65 50.217 -9.333 32.096 1.00 0.00 C ATOM 0 HA PRO A 65 50.395 -10.675 33.764 1.00 0.00 H new ATOM 452 N GLY A 66 51.101 -12.320 31.044 1.00 0.00 N ATOM 453 CA GLY A 66 52.088 -13.140 30.361 1.00 0.00 C ATOM 454 C GLY A 66 51.802 -13.119 28.865 1.00 0.00 C ATOM 455 O GLY A 66 52.715 -12.948 28.060 1.00 0.00 O ATOM 0 H GLY A 66 50.166 -12.389 30.643 1.00 0.00 H new ATOM 0 HA2 GLY A 66 53.092 -12.763 30.558 1.00 0.00 H new ATOM 0 HA3 GLY A 66 52.053 -14.163 30.737 1.00 0.00 H new ATOM 459 N GLN A 67 50.529 -13.280 28.495 1.00 0.00 N ATOM 460 CA GLN A 67 50.126 -13.259 27.102 1.00 0.00 C ATOM 461 C GLN A 67 50.236 -11.834 26.577 1.00 0.00 C ATOM 462 O GLN A 67 51.065 -11.063 27.055 1.00 0.00 O ATOM 463 CB GLN A 67 48.694 -13.772 26.980 1.00 0.00 C ATOM 0 H GLN A 67 49.762 -13.427 29.151 1.00 0.00 H new ATOM 0 HA GLN A 67 50.775 -13.905 26.511 1.00 0.00 H new ATOM 466 N THR A 68 49.394 -11.475 25.605 1.00 0.00 N ATOM 467 CA THR A 68 49.400 -10.140 25.039 1.00 0.00 C ATOM 468 C THR A 68 48.697 -9.199 26.006 1.00 0.00 C ATOM 469 O THR A 68 47.874 -9.636 26.807 1.00 0.00 O ATOM 470 CB THR A 68 48.692 -10.156 23.687 1.00 0.00 C ATOM 0 H THR A 68 48.699 -12.100 25.197 1.00 0.00 H new ATOM 0 HA THR A 68 50.423 -9.796 24.885 1.00 0.00 H new ATOM 473 N GLU A 69 49.027 -7.906 25.944 1.00 0.00 N ATOM 474 CA GLU A 69 48.431 -6.923 26.825 1.00 0.00 C ATOM 475 C GLU A 69 48.894 -7.163 28.257 1.00 0.00 C ATOM 476 O GLU A 69 49.225 -8.288 28.627 1.00 0.00 O ATOM 477 CB GLU A 69 46.910 -7.004 26.726 1.00 0.00 C ATOM 0 H GLU A 69 49.707 -7.524 25.287 1.00 0.00 H new ATOM 0 HA GLU A 69 48.747 -5.924 26.526 1.00 0.00 H new ATOM 480 N ALA A 70 48.924 -6.099 29.061 1.00 0.00 N ATOM 481 CA ALA A 70 49.348 -6.193 30.443 1.00 0.00 C ATOM 482 C ALA A 70 49.417 -4.797 31.040 1.00 0.00 C ATOM 483 O ALA A 70 50.451 -4.396 31.570 1.00 0.00 O ATOM 484 CB ALA A 70 50.714 -6.870 30.516 1.00 0.00 C ATOM 0 H ALA A 70 48.656 -5.159 28.768 1.00 0.00 H new ATOM 0 HA ALA A 70 48.633 -6.789 31.010 1.00 0.00 H new ATOM 0 HB1 ALA A 70 51.031 -6.939 31.557 1.00 0.00 H new ATOM 0 HB2 ALA A 70 50.647 -7.871 30.089 1.00 0.00 H new ATOM 0 HB3 ALA A 70 51.441 -6.284 29.954 1.00 0.00 H new ATOM 487 N LYS A 71 48.313 -4.053 30.949 1.00 0.00 N ATOM 488 CA LYS A 71 48.266 -2.704 31.472 1.00 0.00 C ATOM 489 C LYS A 71 48.358 -2.730 32.989 1.00 0.00 C ATOM 490 O LYS A 71 47.643 -2.003 33.674 1.00 0.00 O ATOM 491 CB LYS A 71 46.988 -2.012 31.006 1.00 0.00 C ATOM 0 H LYS A 71 47.445 -4.370 30.517 1.00 0.00 H new ATOM 0 HA LYS A 71 49.117 -2.138 31.093 1.00 0.00 H new ATOM 494 N ALA A 72 49.248 -3.578 33.508 1.00 0.00 N ATOM 495 CA ALA A 72 49.484 -3.689 34.932 1.00 0.00 C ATOM 496 C ALA A 72 48.288 -4.207 35.718 1.00 0.00 C ATOM 497 O ALA A 72 48.265 -4.044 36.936 1.00 0.00 O ATOM 498 CB ALA A 72 49.927 -2.334 35.475 1.00 0.00 C ATOM 0 H ALA A 72 49.822 -4.205 32.944 1.00 0.00 H new ATOM 0 HA ALA A 72 50.269 -4.434 35.065 1.00 0.00 H new ATOM 0 HB1 ALA A 72 50.106 -2.413 36.547 1.00 0.00 H new ATOM 0 HB2 ALA A 72 50.845 -2.024 34.976 1.00 0.00 H new ATOM 0 HB3 ALA A 72 49.147 -1.595 35.291 1.00 0.00 H new ATOM 501 N ALA A 73 47.317 -4.838 35.047 1.00 0.00 N ATOM 502 CA ALA A 73 46.135 -5.393 35.689 1.00 0.00 C ATOM 503 C ALA A 73 45.527 -4.459 36.730 1.00 0.00 C ATOM 504 O ALA A 73 44.702 -4.895 37.530 1.00 0.00 O ATOM 505 CB ALA A 73 46.502 -6.727 36.332 1.00 0.00 C ATOM 0 H ALA A 73 47.336 -4.975 34.036 1.00 0.00 H new ATOM 0 HA ALA A 73 45.376 -5.532 34.920 1.00 0.00 H new ATOM 0 HB1 ALA A 73 45.623 -7.152 36.816 1.00 0.00 H new ATOM 0 HB2 ALA A 73 46.861 -7.414 35.566 1.00 0.00 H new ATOM 0 HB3 ALA A 73 47.285 -6.570 37.074 1.00 0.00 H new ATOM 508 N ILE A 74 45.943 -3.189 36.739 1.00 0.00 N ATOM 509 CA ILE A 74 45.455 -2.236 37.719 1.00 0.00 C ATOM 510 C ILE A 74 46.013 -2.656 39.074 1.00 0.00 C ATOM 511 O ILE A 74 47.116 -3.196 39.133 1.00 0.00 O ATOM 512 CB ILE A 74 43.929 -2.227 37.726 1.00 0.00 C ATOM 0 H ILE A 74 46.616 -2.805 36.076 1.00 0.00 H new ATOM 0 HA ILE A 74 45.780 -1.223 37.480 1.00 0.00 H new ATOM 515 N TRP A 75 45.254 -2.418 40.149 1.00 0.00 N ATOM 516 CA TRP A 75 45.642 -2.800 41.497 1.00 0.00 C ATOM 517 C TRP A 75 44.376 -3.157 42.264 1.00 0.00 C ATOM 518 O TRP A 75 44.284 -2.917 43.466 1.00 0.00 O ATOM 519 CB TRP A 75 46.387 -1.649 42.167 1.00 0.00 C ATOM 0 H TRP A 75 44.348 -1.951 40.100 1.00 0.00 H new ATOM 0 HA TRP A 75 46.312 -3.660 41.480 1.00 0.00 H new ATOM 522 N ALA A 76 43.419 -3.737 41.533 1.00 0.00 N ATOM 523 CA ALA A 76 42.133 -4.112 42.093 1.00 0.00 C ATOM 524 C ALA A 76 41.558 -2.928 42.865 1.00 0.00 C ATOM 525 O ALA A 76 40.706 -3.111 43.733 1.00 0.00 O ATOM 526 CB ALA A 76 42.312 -5.318 43.011 1.00 0.00 C ATOM 0 H ALA A 76 43.521 -3.956 40.542 1.00 0.00 H new ATOM 0 HA ALA A 76 41.441 -4.382 41.295 1.00 0.00 H new ATOM 0 HB1 ALA A 76 41.347 -5.601 43.432 1.00 0.00 H new ATOM 0 HB2 ALA A 76 42.717 -6.153 42.440 1.00 0.00 H new ATOM 0 HB3 ALA A 76 42.999 -5.063 43.818 1.00 0.00 H new ATOM 529 N ASN A 77 42.046 -1.721 42.553 1.00 0.00 N ATOM 530 CA ASN A 77 41.630 -0.500 43.219 1.00 0.00 C ATOM 531 C ASN A 77 40.403 0.082 42.535 1.00 0.00 C ATOM 532 O ASN A 77 40.485 1.145 41.926 1.00 0.00 O ATOM 533 CB ASN A 77 42.780 0.503 43.184 1.00 0.00 C ATOM 0 H ASN A 77 42.745 -1.573 41.825 1.00 0.00 H new ATOM 0 HA ASN A 77 41.371 -0.721 44.254 1.00 0.00 H new ATOM 536 N MET A 78 39.282 -0.638 42.638 1.00 0.00 N ATOM 537 CA MET A 78 38.022 -0.220 42.048 1.00 0.00 C ATOM 538 C MET A 78 37.735 1.253 42.317 1.00 0.00 C ATOM 539 O MET A 78 37.213 1.949 41.449 1.00 0.00 O ATOM 540 CB MET A 78 36.897 -1.093 42.597 1.00 0.00 C ATOM 0 H MET A 78 39.230 -1.527 43.135 1.00 0.00 H new ATOM 0 HA MET A 78 38.089 -0.342 40.967 1.00 0.00 H new ATOM 543 N ASP A 79 38.089 1.736 43.511 1.00 0.00 N ATOM 544 CA ASP A 79 37.857 3.120 43.881 1.00 0.00 C ATOM 545 C ASP A 79 38.782 4.069 43.127 1.00 0.00 C ATOM 546 O ASP A 79 38.307 4.925 42.383 1.00 0.00 O ATOM 547 CB ASP A 79 38.042 3.277 45.387 1.00 0.00 C ATOM 0 H ASP A 79 38.540 1.179 44.237 1.00 0.00 H new ATOM 0 HA ASP A 79 36.835 3.383 43.607 1.00 0.00 H new ATOM 550 N ASP A 80 40.096 3.929 43.334 1.00 0.00 N ATOM 551 CA ASP A 80 41.079 4.780 42.684 1.00 0.00 C ATOM 552 C ASP A 80 40.848 4.777 41.181 1.00 0.00 C ATOM 553 O ASP A 80 40.793 5.835 40.554 1.00 0.00 O ATOM 554 CB ASP A 80 42.482 4.280 43.018 1.00 0.00 C ATOM 0 H ASP A 80 40.498 3.226 43.954 1.00 0.00 H new ATOM 0 HA ASP A 80 40.977 5.804 43.045 1.00 0.00 H new ATOM 557 N PHE A 81 40.713 3.576 40.616 1.00 0.00 N ATOM 558 CA PHE A 81 40.447 3.424 39.202 1.00 0.00 C ATOM 559 C PHE A 81 39.195 4.224 38.882 1.00 0.00 C ATOM 560 O PHE A 81 39.163 4.973 37.908 1.00 0.00 O ATOM 561 CB PHE A 81 40.258 1.947 38.869 1.00 0.00 C ATOM 0 H PHE A 81 40.786 2.696 41.127 1.00 0.00 H new ATOM 0 HA PHE A 81 41.281 3.791 38.603 1.00 0.00 H new ATOM 564 N GLY A 82 38.169 4.075 39.725 1.00 0.00 N ATOM 565 CA GLY A 82 36.933 4.808 39.562 1.00 0.00 C ATOM 566 C GLY A 82 37.244 6.296 39.533 1.00 0.00 C ATOM 567 O GLY A 82 36.649 7.037 38.754 1.00 0.00 O ATOM 0 H GLY A 82 38.181 3.447 40.529 1.00 0.00 H new ATOM 0 HA2 GLY A 82 36.436 4.509 38.639 1.00 0.00 H new ATOM 0 HA3 GLY A 82 36.249 4.581 40.380 1.00 0.00 H new ATOM 571 N ALA A 83 38.185 6.732 40.377 1.00 0.00 N ATOM 572 CA ALA A 83 38.581 8.125 40.441 1.00 0.00 C ATOM 573 C ALA A 83 38.975 8.630 39.061 1.00 0.00 C ATOM 574 O ALA A 83 38.296 9.501 38.522 1.00 0.00 O ATOM 575 CB ALA A 83 39.738 8.280 41.424 1.00 0.00 C ATOM 0 H ALA A 83 38.685 6.126 41.027 1.00 0.00 H new ATOM 0 HA ALA A 83 37.738 8.722 40.789 1.00 0.00 H new ATOM 0 HB1 ALA A 83 40.036 9.327 41.473 1.00 0.00 H new ATOM 0 HB2 ALA A 83 39.423 7.946 42.413 1.00 0.00 H new ATOM 0 HB3 ALA A 83 40.583 7.677 41.090 1.00 0.00 H new ATOM 578 N LYS A 84 40.077 8.100 38.512 1.00 0.00 N ATOM 579 CA LYS A 84 40.565 8.492 37.194 1.00 0.00 C ATOM 580 C LYS A 84 39.420 8.481 36.191 1.00 0.00 C ATOM 581 O LYS A 84 39.373 9.307 35.286 1.00 0.00 O ATOM 582 CB LYS A 84 41.674 7.538 36.760 1.00 0.00 C ATOM 0 H LYS A 84 40.649 7.391 38.971 1.00 0.00 H new ATOM 0 HA LYS A 84 40.969 9.503 37.239 1.00 0.00 H new ATOM 585 N GLY A 85 38.529 7.511 36.385 1.00 0.00 N ATOM 586 CA GLY A 85 37.339 7.384 35.563 1.00 0.00 C ATOM 587 C GLY A 85 36.655 8.745 35.563 1.00 0.00 C ATOM 588 O GLY A 85 36.593 9.416 34.535 1.00 0.00 O ATOM 0 H GLY A 85 38.615 6.799 37.111 1.00 0.00 H new ATOM 0 HA2 GLY A 85 37.601 7.083 34.549 1.00 0.00 H new ATOM 0 HA3 GLY A 85 36.674 6.618 35.961 1.00 0.00 H new ATOM 592 N LYS A 86 36.160 9.127 36.742 1.00 0.00 N ATOM 593 CA LYS A 86 35.536 10.422 36.939 1.00 0.00 C ATOM 594 C LYS A 86 36.419 11.530 36.364 1.00 0.00 C ATOM 595 O LYS A 86 35.915 12.437 35.706 1.00 0.00 O ATOM 596 CB LYS A 86 35.297 10.645 38.430 1.00 0.00 C ATOM 0 H LYS A 86 36.184 8.545 37.579 1.00 0.00 H new ATOM 0 HA LYS A 86 34.580 10.446 36.416 1.00 0.00 H new ATOM 599 N ALA A 87 37.731 11.445 36.611 1.00 0.00 N ATOM 600 CA ALA A 87 38.677 12.439 36.126 1.00 0.00 C ATOM 601 C ALA A 87 38.521 12.645 34.625 1.00 0.00 C ATOM 602 O ALA A 87 38.366 13.771 34.152 1.00 0.00 O ATOM 603 CB ALA A 87 40.097 11.993 36.464 1.00 0.00 C ATOM 0 H ALA A 87 38.158 10.690 37.148 1.00 0.00 H new ATOM 0 HA ALA A 87 38.475 13.392 36.615 1.00 0.00 H new ATOM 0 HB1 ALA A 87 40.808 12.736 36.102 1.00 0.00 H new ATOM 0 HB2 ALA A 87 40.199 11.890 37.544 1.00 0.00 H new ATOM 0 HB3 ALA A 87 40.300 11.034 35.988 1.00 0.00 H new ATOM 606 N MET A 88 38.562 11.543 33.878 1.00 0.00 N ATOM 607 CA MET A 88 38.409 11.577 32.441 1.00 0.00 C ATOM 608 C MET A 88 37.086 12.257 32.141 1.00 0.00 C ATOM 609 O MET A 88 37.006 13.056 31.217 1.00 0.00 O ATOM 610 CB MET A 88 38.435 10.155 31.888 1.00 0.00 C ATOM 0 H MET A 88 38.702 10.608 34.260 1.00 0.00 H new ATOM 0 HA MET A 88 39.223 12.128 31.969 1.00 0.00 H new ATOM 613 N HIS A 89 36.062 11.943 32.939 1.00 0.00 N ATOM 614 CA HIS A 89 34.752 12.560 32.791 1.00 0.00 C ATOM 615 C HIS A 89 34.895 14.076 32.928 1.00 0.00 C ATOM 616 O HIS A 89 34.252 14.833 32.206 1.00 0.00 O ATOM 617 CB HIS A 89 33.806 12.006 33.851 1.00 0.00 C ATOM 0 H HIS A 89 36.121 11.262 33.696 1.00 0.00 H new ATOM 0 HA HIS A 89 34.338 12.333 31.808 1.00 0.00 H new ATOM 620 N GLU A 90 35.721 14.488 33.895 1.00 0.00 N ATOM 621 CA GLU A 90 36.009 15.903 34.100 1.00 0.00 C ATOM 622 C GLU A 90 36.434 16.503 32.757 1.00 0.00 C ATOM 623 O GLU A 90 36.065 17.622 32.409 1.00 0.00 O ATOM 624 CB GLU A 90 37.108 16.062 35.146 1.00 0.00 C ATOM 0 H GLU A 90 36.198 13.861 34.543 1.00 0.00 H new ATOM 0 HA GLU A 90 35.126 16.426 34.466 1.00 0.00 H new ATOM 627 N ALA A 91 37.197 15.703 32.012 1.00 0.00 N ATOM 628 CA ALA A 91 37.652 16.089 30.677 1.00 0.00 C ATOM 629 C ALA A 91 36.486 16.003 29.680 1.00 0.00 C ATOM 630 O ALA A 91 36.341 16.825 28.779 1.00 0.00 O ATOM 631 CB ALA A 91 38.784 15.160 30.255 1.00 0.00 C ATOM 0 H ALA A 91 37.514 14.781 32.312 1.00 0.00 H new ATOM 0 HA ALA A 91 38.014 17.117 30.691 1.00 0.00 H new ATOM 0 HB1 ALA A 91 39.132 15.439 29.260 1.00 0.00 H new ATOM 0 HB2 ALA A 91 39.608 15.245 30.964 1.00 0.00 H new ATOM 0 HB3 ALA A 91 38.424 14.131 30.239 1.00 0.00 H new ATOM 634 N GLY A 92 35.669 14.976 29.899 1.00 0.00 N ATOM 635 CA GLY A 92 34.498 14.704 29.091 1.00 0.00 C ATOM 636 C GLY A 92 33.625 15.950 29.029 1.00 0.00 C ATOM 637 O GLY A 92 33.446 16.538 27.963 1.00 0.00 O ATOM 0 H GLY A 92 35.809 14.305 30.654 1.00 0.00 H new ATOM 0 HA2 GLY A 92 34.797 14.406 28.086 1.00 0.00 H new ATOM 0 HA3 GLY A 92 33.935 13.873 29.515 1.00 0.00 H new ATOM 641 N GLY A 93 33.084 16.361 30.179 1.00 0.00 N ATOM 642 CA GLY A 93 32.234 17.528 30.260 1.00 0.00 C ATOM 643 C GLY A 93 33.024 18.779 29.910 1.00 0.00 C ATOM 644 O GLY A 93 32.503 19.665 29.240 1.00 0.00 O ATOM 0 H GLY A 93 33.229 15.889 31.071 1.00 0.00 H new ATOM 0 HA2 GLY A 93 31.390 17.420 29.579 1.00 0.00 H new ATOM 0 HA3 GLY A 93 31.823 17.618 31.265 1.00 0.00 H new ATOM 648 N ALA A 94 34.281 18.853 30.359 1.00 0.00 N ATOM 649 CA ALA A 94 35.131 19.995 30.083 1.00 0.00 C ATOM 650 C ALA A 94 35.201 20.251 28.584 1.00 0.00 C ATOM 651 O ALA A 94 35.097 21.395 28.148 1.00 0.00 O ATOM 652 CB ALA A 94 36.526 19.741 30.646 1.00 0.00 C ATOM 0 H ALA A 94 34.726 18.125 30.918 1.00 0.00 H new ATOM 0 HA ALA A 94 34.710 20.879 30.562 1.00 0.00 H new ATOM 0 HB1 ALA A 94 37.164 20.600 30.438 1.00 0.00 H new ATOM 0 HB2 ALA A 94 36.461 19.589 31.723 1.00 0.00 H new ATOM 0 HB3 ALA A 94 36.950 18.852 30.179 1.00 0.00 H new ATOM 655 N VAL A 95 35.372 19.190 27.790 1.00 0.00 N ATOM 656 CA VAL A 95 35.444 19.320 26.349 1.00 0.00 C ATOM 657 C VAL A 95 34.097 19.816 25.848 1.00 0.00 C ATOM 658 O VAL A 95 34.035 20.665 24.963 1.00 0.00 O ATOM 659 CB VAL A 95 35.790 17.968 25.732 1.00 0.00 C ATOM 0 H VAL A 95 35.462 18.233 28.131 1.00 0.00 H new ATOM 0 HA VAL A 95 36.220 20.031 26.064 1.00 0.00 H new ATOM 662 N ILE A 96 33.023 19.275 26.427 1.00 0.00 N ATOM 663 CA ILE A 96 31.679 19.684 26.064 1.00 0.00 C ATOM 664 C ILE A 96 31.558 21.194 26.236 1.00 0.00 C ATOM 665 O ILE A 96 31.118 21.897 25.328 1.00 0.00 O ATOM 666 CB ILE A 96 30.669 18.954 26.945 1.00 0.00 C ATOM 0 H ILE A 96 33.065 18.554 27.147 1.00 0.00 H new ATOM 0 HA ILE A 96 31.474 19.429 25.024 1.00 0.00 H new ATOM 669 N ALA A 97 31.966 21.685 27.408 1.00 0.00 N ATOM 670 CA ALA A 97 31.919 23.102 27.714 1.00 0.00 C ATOM 671 C ALA A 97 32.770 23.882 26.721 1.00 0.00 C ATOM 672 O ALA A 97 32.299 24.849 26.127 1.00 0.00 O ATOM 673 CB ALA A 97 32.412 23.327 29.140 1.00 0.00 C ATOM 0 H ALA A 97 32.336 21.108 28.164 1.00 0.00 H new ATOM 0 HA ALA A 97 30.892 23.458 27.634 1.00 0.00 H new ATOM 0 HB1 ALA A 97 32.378 24.391 29.373 1.00 0.00 H new ATOM 0 HB2 ALA A 97 31.774 22.782 29.836 1.00 0.00 H new ATOM 0 HB3 ALA A 97 33.437 22.968 29.231 1.00 0.00 H new ATOM 676 N ALA A 98 34.025 23.458 26.543 1.00 0.00 N ATOM 677 CA ALA A 98 34.938 24.115 25.626 1.00 0.00 C ATOM 678 C ALA A 98 34.312 24.193 24.241 1.00 0.00 C ATOM 679 O ALA A 98 34.439 25.205 23.555 1.00 0.00 O ATOM 680 CB ALA A 98 36.252 23.341 25.581 1.00 0.00 C ATOM 0 H ALA A 98 34.426 22.656 27.030 1.00 0.00 H new ATOM 0 HA ALA A 98 35.138 25.130 25.970 1.00 0.00 H new ATOM 0 HB1 ALA A 98 36.940 23.832 24.893 1.00 0.00 H new ATOM 0 HB2 ALA A 98 36.693 23.314 26.578 1.00 0.00 H new ATOM 0 HB3 ALA A 98 36.063 22.323 25.240 1.00 0.00 H new ATOM 683 N ALA A 99 33.628 23.119 23.839 1.00 0.00 N ATOM 684 CA ALA A 99 32.973 23.064 22.549 1.00 0.00 C ATOM 685 C ALA A 99 32.020 24.243 22.427 1.00 0.00 C ATOM 686 O ALA A 99 32.038 24.957 21.427 1.00 0.00 O ATOM 687 CB ALA A 99 32.221 21.742 22.416 1.00 0.00 C ATOM 0 H ALA A 99 33.519 22.274 24.400 1.00 0.00 H new ATOM 0 HA ALA A 99 33.711 23.122 21.749 1.00 0.00 H new ATOM 0 HB1 ALA A 99 31.728 21.700 21.445 1.00 0.00 H new ATOM 0 HB2 ALA A 99 32.924 20.913 22.502 1.00 0.00 H new ATOM 0 HB3 ALA A 99 31.474 21.667 23.206 1.00 0.00 H new ATOM 690 N ASN A 100 31.192 24.443 23.457 1.00 0.00 N ATOM 691 CA ASN A 100 30.239 25.535 23.487 1.00 0.00 C ATOM 692 C ASN A 100 30.940 26.857 23.209 1.00 0.00 C ATOM 693 O ASN A 100 30.387 27.717 22.527 1.00 0.00 O ATOM 694 CB ASN A 100 29.552 25.567 24.849 1.00 0.00 C ATOM 0 H ASN A 100 31.170 23.850 24.286 1.00 0.00 H new ATOM 0 HA ASN A 100 29.488 25.382 22.712 1.00 0.00 H new ATOM 697 N ALA A 101 32.158 27.017 23.736 1.00 0.00 N ATOM 698 CA ALA A 101 32.931 28.228 23.536 1.00 0.00 C ATOM 699 C ALA A 101 33.270 28.391 22.059 1.00 0.00 C ATOM 700 O ALA A 101 32.415 28.781 21.267 1.00 0.00 O ATOM 701 CB ALA A 101 34.196 28.172 24.388 1.00 0.00 C ATOM 0 H ALA A 101 32.625 26.312 24.307 1.00 0.00 H new ATOM 0 HA ALA A 101 32.344 29.093 23.845 1.00 0.00 H new ATOM 0 HB1 ALA A 101 34.777 29.082 24.237 1.00 0.00 H new ATOM 0 HB2 ALA A 101 33.923 28.086 25.440 1.00 0.00 H new ATOM 0 HB3 ALA A 101 34.793 27.308 24.096 1.00 0.00 H new ATOM 704 N GLY A 102 34.520 28.111 21.679 1.00 0.00 N ATOM 705 CA GLY A 102 34.929 28.232 20.295 1.00 0.00 C ATOM 706 C GLY A 102 36.439 28.094 20.151 1.00 0.00 C ATOM 707 O GLY A 102 36.903 27.258 19.378 1.00 0.00 O ATOM 0 H GLY A 102 35.256 27.801 22.314 1.00 0.00 H new ATOM 0 HA2 GLY A 102 34.433 27.466 19.699 1.00 0.00 H new ATOM 0 HA3 GLY A 102 34.611 29.198 19.902 1.00 0.00 H new ATOM 711 N ASP A 103 37.190 28.925 20.884 1.00 0.00 N ATOM 712 CA ASP A 103 38.644 28.946 20.849 1.00 0.00 C ATOM 713 C ASP A 103 39.287 27.566 20.800 1.00 0.00 C ATOM 714 O ASP A 103 39.015 26.706 21.636 1.00 0.00 O ATOM 715 CB ASP A 103 39.157 29.722 22.059 1.00 0.00 C ATOM 0 H ASP A 103 36.791 29.610 21.526 1.00 0.00 H new ATOM 0 HA ASP A 103 38.930 29.435 19.918 1.00 0.00 H new ATOM 718 N GLY A 104 40.160 27.376 19.808 1.00 0.00 N ATOM 719 CA GLY A 104 40.876 26.130 19.634 1.00 0.00 C ATOM 720 C GLY A 104 42.062 26.083 20.592 1.00 0.00 C ATOM 721 O GLY A 104 42.757 25.071 20.667 1.00 0.00 O ATOM 0 H GLY A 104 40.383 28.085 19.110 1.00 0.00 H new ATOM 0 HA2 GLY A 104 40.211 25.287 19.822 1.00 0.00 H new ATOM 0 HA3 GLY A 104 41.223 26.039 18.605 1.00 0.00 H new ATOM 725 N ALA A 105 42.292 27.181 21.324 1.00 0.00 N ATOM 726 CA ALA A 105 43.383 27.276 22.270 1.00 0.00 C ATOM 727 C ALA A 105 42.910 26.584 23.535 1.00 0.00 C ATOM 728 O ALA A 105 43.633 25.802 24.148 1.00 0.00 O ATOM 729 CB ALA A 105 43.707 28.744 22.535 1.00 0.00 C ATOM 0 H ALA A 105 41.719 28.023 21.268 1.00 0.00 H new ATOM 0 HA ALA A 105 44.292 26.807 21.893 1.00 0.00 H new ATOM 0 HB1 ALA A 105 44.529 28.812 23.248 1.00 0.00 H new ATOM 0 HB2 ALA A 105 43.995 29.227 21.601 1.00 0.00 H new ATOM 0 HB3 ALA A 105 42.829 29.242 22.945 1.00 0.00 H new ATOM 732 N ALA A 106 41.664 26.893 23.902 1.00 0.00 N ATOM 733 CA ALA A 106 41.032 26.325 25.072 1.00 0.00 C ATOM 734 C ALA A 106 40.664 24.886 24.758 1.00 0.00 C ATOM 735 O ALA A 106 40.693 24.030 25.638 1.00 0.00 O ATOM 736 CB ALA A 106 39.792 27.140 25.428 1.00 0.00 C ATOM 0 H ALA A 106 41.073 27.546 23.388 1.00 0.00 H new ATOM 0 HA ALA A 106 41.707 26.348 25.927 1.00 0.00 H new ATOM 0 HB1 ALA A 106 39.316 26.712 26.310 1.00 0.00 H new ATOM 0 HB2 ALA A 106 40.081 28.170 25.636 1.00 0.00 H new ATOM 0 HB3 ALA A 106 39.092 27.121 24.593 1.00 0.00 H new ATOM 739 N PHE A 107 40.327 24.616 23.494 1.00 0.00 N ATOM 740 CA PHE A 107 39.982 23.275 23.074 1.00 0.00 C ATOM 741 C PHE A 107 41.163 22.350 23.334 1.00 0.00 C ATOM 742 O PHE A 107 41.047 21.411 24.115 1.00 0.00 O ATOM 743 CB PHE A 107 39.606 23.277 21.596 1.00 0.00 C ATOM 0 H PHE A 107 40.289 25.315 22.752 1.00 0.00 H new ATOM 0 HA PHE A 107 39.124 22.917 23.642 1.00 0.00 H new ATOM 746 N GLY A 108 42.296 22.609 22.674 1.00 0.00 N ATOM 747 CA GLY A 108 43.488 21.795 22.839 1.00 0.00 C ATOM 748 C GLY A 108 44.012 21.811 24.272 1.00 0.00 C ATOM 749 O GLY A 108 44.491 20.793 24.769 1.00 0.00 O ATOM 0 H GLY A 108 42.405 23.383 22.018 1.00 0.00 H new ATOM 0 HA2 GLY A 108 43.266 20.768 22.548 1.00 0.00 H new ATOM 0 HA3 GLY A 108 44.266 22.156 22.167 1.00 0.00 H new ATOM 753 N ALA A 109 43.915 22.961 24.942 1.00 0.00 N ATOM 754 CA ALA A 109 44.404 23.087 26.304 1.00 0.00 C ATOM 755 C ALA A 109 43.577 22.188 27.212 1.00 0.00 C ATOM 756 O ALA A 109 44.107 21.296 27.872 1.00 0.00 O ATOM 757 CB ALA A 109 44.309 24.544 26.747 1.00 0.00 C ATOM 0 H ALA A 109 43.503 23.812 24.560 1.00 0.00 H new ATOM 0 HA ALA A 109 45.448 22.779 26.360 1.00 0.00 H new ATOM 0 HB1 ALA A 109 44.676 24.638 27.769 1.00 0.00 H new ATOM 0 HB2 ALA A 109 44.913 25.165 26.086 1.00 0.00 H new ATOM 0 HB3 ALA A 109 43.270 24.871 26.703 1.00 0.00 H new ATOM 760 N ALA A 110 42.267 22.435 27.229 1.00 0.00 N ATOM 761 CA ALA A 110 41.356 21.643 28.028 1.00 0.00 C ATOM 762 C ALA A 110 41.509 20.186 27.614 1.00 0.00 C ATOM 763 O ALA A 110 41.496 19.289 28.453 1.00 0.00 O ATOM 764 CB ALA A 110 39.926 22.127 27.802 1.00 0.00 C ATOM 0 H ALA A 110 41.821 23.180 26.695 1.00 0.00 H new ATOM 0 HA ALA A 110 41.582 21.744 29.089 1.00 0.00 H new ATOM 0 HB1 ALA A 110 39.241 21.530 28.404 1.00 0.00 H new ATOM 0 HB2 ALA A 110 39.846 23.175 28.093 1.00 0.00 H new ATOM 0 HB3 ALA A 110 39.669 22.022 26.748 1.00 0.00 H new ATOM 767 N LEU A 111 41.672 19.964 26.307 1.00 0.00 N ATOM 768 CA LEU A 111 41.829 18.636 25.752 1.00 0.00 C ATOM 769 C LEU A 111 43.135 17.997 26.197 1.00 0.00 C ATOM 770 O LEU A 111 43.248 16.772 26.182 1.00 0.00 O ATOM 771 CB LEU A 111 41.767 18.712 24.230 1.00 0.00 C ATOM 0 H LEU A 111 41.698 20.708 25.610 1.00 0.00 H new ATOM 0 HA LEU A 111 41.016 18.010 26.121 1.00 0.00 H new ATOM 774 N GLN A 112 44.125 18.799 26.606 1.00 0.00 N ATOM 775 CA GLN A 112 45.401 18.285 27.059 1.00 0.00 C ATOM 776 C GLN A 112 45.211 17.821 28.490 1.00 0.00 C ATOM 777 O GLN A 112 45.813 16.837 28.916 1.00 0.00 O ATOM 778 CB GLN A 112 46.452 19.389 26.980 1.00 0.00 C ATOM 0 H GLN A 112 44.054 19.816 26.628 1.00 0.00 H new ATOM 0 HA GLN A 112 45.742 17.457 26.438 1.00 0.00 H new ATOM 781 N LYS A 113 44.350 18.526 29.228 1.00 0.00 N ATOM 782 CA LYS A 113 44.041 18.148 30.589 1.00 0.00 C ATOM 783 C LYS A 113 43.453 16.748 30.508 1.00 0.00 C ATOM 784 O LYS A 113 43.785 15.876 31.308 1.00 0.00 O ATOM 785 CB LYS A 113 43.040 19.134 31.184 1.00 0.00 C ATOM 0 H LYS A 113 43.861 19.358 28.898 1.00 0.00 H new ATOM 0 HA LYS A 113 44.922 18.162 31.231 1.00 0.00 H new ATOM 788 N LEU A 114 42.589 16.543 29.510 1.00 0.00 N ATOM 789 CA LEU A 114 41.971 15.256 29.267 1.00 0.00 C ATOM 790 C LEU A 114 43.041 14.288 28.786 1.00 0.00 C ATOM 791 O LEU A 114 42.947 13.085 29.016 1.00 0.00 O ATOM 792 CB LEU A 114 40.891 15.416 28.202 1.00 0.00 C ATOM 0 H LEU A 114 42.305 17.270 28.854 1.00 0.00 H new ATOM 0 HA LEU A 114 41.516 14.871 30.180 1.00 0.00 H new ATOM 795 N GLY A 115 44.067 14.827 28.122 1.00 0.00 N ATOM 796 CA GLY A 115 45.156 14.025 27.604 1.00 0.00 C ATOM 797 C GLY A 115 45.950 13.423 28.753 1.00 0.00 C ATOM 798 O GLY A 115 46.347 12.261 28.692 1.00 0.00 O ATOM 0 H GLY A 115 44.158 15.825 27.934 1.00 0.00 H new ATOM 0 HA2 GLY A 115 44.764 13.232 26.967 1.00 0.00 H new ATOM 0 HA3 GLY A 115 45.808 14.639 26.983 1.00 0.00 H new ATOM 802 N GLY A 116 46.176 14.213 29.807 1.00 0.00 N ATOM 803 CA GLY A 116 46.918 13.762 30.967 1.00 0.00 C ATOM 804 C GLY A 116 46.015 12.933 31.867 1.00 0.00 C ATOM 805 O GLY A 116 46.497 12.113 32.646 1.00 0.00 O ATOM 0 H GLY A 116 45.848 15.177 29.871 1.00 0.00 H new ATOM 0 HA2 GLY A 116 47.777 13.169 30.653 1.00 0.00 H new ATOM 0 HA3 GLY A 116 47.307 14.619 31.517 1.00 0.00 H new ATOM 809 N THR A 117 44.702 13.144 31.757 1.00 0.00 N ATOM 810 CA THR A 117 43.740 12.413 32.557 1.00 0.00 C ATOM 811 C THR A 117 43.742 10.952 32.131 1.00 0.00 C ATOM 812 O THR A 117 43.988 10.065 32.946 1.00 0.00 O ATOM 813 CB THR A 117 42.355 13.029 32.377 1.00 0.00 C ATOM 0 H THR A 117 44.287 13.820 31.116 1.00 0.00 H new ATOM 0 HA THR A 117 44.009 12.471 33.612 1.00 0.00 H new ATOM 816 N CYS A 118 43.471 10.704 30.847 1.00 0.00 N ATOM 817 CA CYS A 118 43.452 9.357 30.315 1.00 0.00 C ATOM 818 C CYS A 118 44.835 8.741 30.464 1.00 0.00 C ATOM 819 O CYS A 118 44.968 7.608 30.923 1.00 0.00 O ATOM 820 CB CYS A 118 43.030 9.396 28.849 1.00 0.00 C ATOM 0 H CYS A 118 43.262 11.429 30.161 1.00 0.00 H new ATOM 0 HA CYS A 118 42.736 8.746 30.865 1.00 0.00 H new ATOM 823 N LYS A 119 45.868 9.495 30.080 1.00 0.00 N ATOM 824 CA LYS A 119 47.236 9.027 30.176 1.00 0.00 C ATOM 825 C LYS A 119 47.536 8.637 31.616 1.00 0.00 C ATOM 826 O LYS A 119 48.112 7.581 31.866 1.00 0.00 O ATOM 827 CB LYS A 119 48.182 10.128 29.706 1.00 0.00 C ATOM 0 H LYS A 119 45.773 10.436 29.699 1.00 0.00 H new ATOM 0 HA LYS A 119 47.377 8.152 29.541 1.00 0.00 H new ATOM 830 N ALA A 120 47.136 9.491 32.561 1.00 0.00 N ATOM 831 CA ALA A 120 47.355 9.237 33.972 1.00 0.00 C ATOM 832 C ALA A 120 46.761 7.887 34.348 1.00 0.00 C ATOM 833 O ALA A 120 47.396 7.107 35.055 1.00 0.00 O ATOM 834 CB ALA A 120 46.717 10.355 34.792 1.00 0.00 C ATOM 0 H ALA A 120 46.656 10.369 32.364 1.00 0.00 H new ATOM 0 HA ALA A 120 48.424 9.214 34.182 1.00 0.00 H new ATOM 0 HB1 ALA A 120 46.880 10.167 35.853 1.00 0.00 H new ATOM 0 HB2 ALA A 120 47.168 11.309 34.519 1.00 0.00 H new ATOM 0 HB3 ALA A 120 45.646 10.389 34.590 1.00 0.00 H new ATOM 837 N CYS A 121 45.543 7.618 33.870 1.00 0.00 N ATOM 838 CA CYS A 121 44.864 6.366 34.143 1.00 0.00 C ATOM 839 C CYS A 121 45.764 5.202 33.755 1.00 0.00 C ATOM 840 O CYS A 121 45.954 4.273 34.537 1.00 0.00 O ATOM 841 CB CYS A 121 43.553 6.320 33.365 1.00 0.00 C ATOM 0 H CYS A 121 45.010 8.263 33.287 1.00 0.00 H new ATOM 0 HA CYS A 121 44.641 6.290 35.207 1.00 0.00 H new ATOM 844 N HIS A 122 46.326 5.260 32.546 1.00 0.00 N ATOM 845 CA HIS A 122 47.215 4.221 32.066 1.00 0.00 C ATOM 846 C HIS A 122 48.485 4.227 32.904 1.00 0.00 C ATOM 847 O HIS A 122 49.045 3.173 33.197 1.00 0.00 O ATOM 848 CB HIS A 122 47.536 4.467 30.595 1.00 0.00 C ATOM 0 H HIS A 122 46.175 6.022 31.885 1.00 0.00 H new ATOM 0 HA HIS A 122 46.738 3.245 32.157 1.00 0.00 H new ATOM 851 N ASP A 123 48.930 5.422 33.299 1.00 0.00 N ATOM 852 CA ASP A 123 50.126 5.571 34.104 1.00 0.00 C ATOM 853 C ASP A 123 49.992 4.744 35.374 1.00 0.00 C ATOM 854 O ASP A 123 50.985 4.244 35.899 1.00 0.00 O ATOM 855 CB ASP A 123 50.330 7.046 34.439 1.00 0.00 C ATOM 0 H ASP A 123 48.470 6.302 33.068 1.00 0.00 H new ATOM 0 HA ASP A 123 50.994 5.215 33.549 1.00 0.00 H new ATOM 858 N ASP A 124 48.757 4.592 35.859 1.00 0.00 N ATOM 859 CA ASP A 124 48.494 3.823 37.058 1.00 0.00 C ATOM 860 C ASP A 124 48.554 2.341 36.720 1.00 0.00 C ATOM 861 O ASP A 124 49.364 1.607 37.282 1.00 0.00 O ATOM 862 CB ASP A 124 47.122 4.197 37.611 1.00 0.00 C ATOM 0 H ASP A 124 47.925 4.998 35.430 1.00 0.00 H new ATOM 0 HA ASP A 124 49.244 4.042 37.818 1.00 0.00 H new ATOM 865 N TYR A 125 47.695 1.907 35.795 1.00 0.00 N ATOM 866 CA TYR A 125 47.652 0.521 35.373 1.00 0.00 C ATOM 867 C TYR A 125 48.801 0.247 34.414 1.00 0.00 C ATOM 868 O TYR A 125 48.591 -0.277 33.323 1.00 0.00 O ATOM 869 CB TYR A 125 46.310 0.236 34.705 1.00 0.00 C ATOM 0 H TYR A 125 47.018 2.508 35.325 1.00 0.00 H new ATOM 0 HA TYR A 125 47.757 -0.135 36.237 1.00 0.00 H new ATOM 872 N ARG A 126 50.019 0.611 34.824 1.00 0.00 N ATOM 873 CA ARG A 126 51.199 0.408 34.006 1.00 0.00 C ATOM 874 C ARG A 126 52.443 0.485 34.878 1.00 0.00 C ATOM 875 O ARG A 126 53.251 1.399 34.731 1.00 0.00 O ATOM 876 CB ARG A 126 51.244 1.462 32.904 1.00 0.00 C ATOM 0 H ARG A 126 50.205 1.050 35.726 1.00 0.00 H new ATOM 0 HA ARG A 126 51.161 -0.578 33.542 1.00 0.00 H new ATOM 879 N GLU A 127 52.593 -0.481 35.788 1.00 0.00 N ATOM 880 CA GLU A 127 53.732 -0.528 36.683 1.00 0.00 C ATOM 881 C GLU A 127 53.641 0.605 37.695 1.00 0.00 C ATOM 882 O GLU A 127 52.706 1.401 37.656 1.00 0.00 O ATOM 883 CB GLU A 127 55.024 -0.436 35.876 1.00 0.00 C ATOM 0 H GLU A 127 51.928 -1.244 35.918 1.00 0.00 H new ATOM 0 HA GLU A 127 53.731 -1.473 37.226 1.00 0.00 H new ATOM 886 N GLU A 128 54.617 0.674 38.605 1.00 0.00 N ATOM 887 CA GLU A 128 54.644 1.704 39.623 1.00 0.00 C ATOM 888 C GLU A 128 53.504 1.484 40.608 1.00 0.00 C ATOM 889 O GLU A 128 53.738 1.303 41.800 1.00 0.00 O ATOM 890 CB GLU A 128 54.534 3.076 38.963 1.00 0.00 C ATOM 0 H GLU A 128 55.399 0.020 38.649 1.00 0.00 H new ATOM 0 HA GLU A 128 55.585 1.656 40.171 1.00 0.00 H new ATOM 893 N ASP A 129 52.267 1.500 40.105 1.00 0.00 N ATOM 894 CA ASP A 129 51.099 1.303 40.939 1.00 0.00 C ATOM 895 C ASP A 129 51.094 2.323 42.069 1.00 0.00 C ATOM 896 O ASP A 129 50.603 1.960 43.159 1.00 0.00 O ATOM 897 CB ASP A 129 51.106 -0.119 41.494 1.00 0.00 C ATOM 0 H ASP A 129 52.057 1.649 39.118 1.00 0.00 H new ATOM 0 HA ASP A 129 50.195 1.443 40.346 1.00 0.00 H new TER 900 ASP A 129 HETATM 901 FE HEM A 130 43.077 4.502 28.899 1.00 0.00 FE