USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=0 USER MOD reduce.3.24.130724 removed 268 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 36.843 -9.556 16.166 1.00 0.00 N ATOM 2 CA ALA A 1 36.118 -9.540 17.421 1.00 0.00 C ATOM 3 C ALA A 1 36.891 -10.343 18.457 1.00 0.00 C ATOM 4 O ALA A 1 37.276 -9.812 19.496 1.00 0.00 O ATOM 5 CB ALA A 1 35.935 -8.096 17.878 1.00 0.00 C ATOM 0 H1 ALA A 1 36.318 -9.008 15.455 1.00 0.00 H new ATOM 0 H2 ALA A 1 37.784 -9.134 16.303 1.00 0.00 H new ATOM 0 H3 ALA A 1 36.948 -10.537 15.838 1.00 0.00 H new ATOM 0 HA ALA A 1 35.134 -9.992 17.294 1.00 0.00 H new ATOM 0 HB1 ALA A 1 35.390 -8.079 18.822 1.00 0.00 H new ATOM 0 HB2 ALA A 1 36.911 -7.631 18.015 1.00 0.00 H new ATOM 0 HB3 ALA A 1 35.373 -7.544 17.125 1.00 0.00 H new ATOM 7 N ASP A 2 37.117 -11.628 18.172 1.00 0.00 N ATOM 8 CA ASP A 2 37.840 -12.497 19.077 1.00 0.00 C ATOM 9 C ASP A 2 37.056 -12.661 20.371 1.00 0.00 C ATOM 10 O ASP A 2 35.989 -12.071 20.531 1.00 0.00 O ATOM 11 CB ASP A 2 39.221 -11.908 19.352 1.00 0.00 C ATOM 0 H ASP A 2 36.804 -12.083 17.314 1.00 0.00 H new ATOM 0 HA ASP A 2 37.963 -13.480 18.623 1.00 0.00 H new ATOM 14 N THR A 3 37.586 -13.465 21.295 1.00 0.00 N ATOM 15 CA THR A 3 36.935 -13.702 22.567 1.00 0.00 C ATOM 16 C THR A 3 37.033 -12.458 23.439 1.00 0.00 C ATOM 17 O THR A 3 37.605 -11.452 23.023 1.00 0.00 O ATOM 18 CB THR A 3 37.585 -14.898 23.256 1.00 0.00 C ATOM 0 H THR A 3 38.469 -13.961 21.177 1.00 0.00 H new ATOM 0 HA THR A 3 35.880 -13.923 22.403 1.00 0.00 H new ATOM 21 N LYS A 4 36.469 -12.531 24.647 1.00 0.00 N ATOM 22 CA LYS A 4 36.490 -11.418 25.577 1.00 0.00 C ATOM 23 C LYS A 4 35.576 -10.312 25.069 1.00 0.00 C ATOM 24 O LYS A 4 36.045 -9.313 24.529 1.00 0.00 O ATOM 25 CB LYS A 4 37.920 -10.913 25.744 1.00 0.00 C ATOM 0 H LYS A 4 35.990 -13.360 24.999 1.00 0.00 H new ATOM 0 HA LYS A 4 36.127 -11.745 26.551 1.00 0.00 H new ATOM 28 N GLU A 5 34.266 -10.492 25.252 1.00 0.00 N ATOM 29 CA GLU A 5 33.287 -9.518 24.814 1.00 0.00 C ATOM 30 C GLU A 5 33.360 -8.279 25.696 1.00 0.00 C ATOM 31 O GLU A 5 33.422 -7.159 25.194 1.00 0.00 O ATOM 32 CB GLU A 5 31.894 -10.139 24.872 1.00 0.00 C ATOM 0 H GLU A 5 33.865 -11.313 25.705 1.00 0.00 H new ATOM 0 HA GLU A 5 33.498 -9.221 23.787 1.00 0.00 H new ATOM 35 N VAL A 6 33.358 -8.485 27.015 1.00 0.00 N ATOM 36 CA VAL A 6 33.419 -7.390 27.963 1.00 0.00 C ATOM 37 C VAL A 6 34.719 -6.619 27.794 1.00 0.00 C ATOM 38 O VAL A 6 34.721 -5.391 27.847 1.00 0.00 O ATOM 39 CB VAL A 6 33.296 -7.940 29.381 1.00 0.00 C ATOM 0 H VAL A 6 33.314 -9.409 27.445 1.00 0.00 H new ATOM 0 HA VAL A 6 32.593 -6.703 27.778 1.00 0.00 H new ATOM 42 N LEU A 7 35.825 -7.334 27.582 1.00 0.00 N ATOM 43 CA LEU A 7 37.117 -6.702 27.403 1.00 0.00 C ATOM 44 C LEU A 7 37.150 -5.998 26.055 1.00 0.00 C ATOM 45 O LEU A 7 37.500 -4.824 25.983 1.00 0.00 O ATOM 46 CB LEU A 7 38.217 -7.755 27.494 1.00 0.00 C ATOM 0 H LEU A 7 35.844 -8.353 27.531 1.00 0.00 H new ATOM 0 HA LEU A 7 37.283 -5.963 28.187 1.00 0.00 H new ATOM 49 N GLU A 8 36.790 -6.729 24.997 1.00 0.00 N ATOM 50 CA GLU A 8 36.765 -6.191 23.648 1.00 0.00 C ATOM 51 C GLU A 8 35.991 -4.879 23.601 1.00 0.00 C ATOM 52 O GLU A 8 36.447 -3.906 23.001 1.00 0.00 O ATOM 53 CB GLU A 8 36.144 -7.218 22.706 1.00 0.00 C ATOM 0 H GLU A 8 36.509 -7.708 25.058 1.00 0.00 H new ATOM 0 HA GLU A 8 37.786 -5.983 23.329 1.00 0.00 H new ATOM 56 N ALA A 9 34.825 -4.841 24.248 1.00 0.00 N ATOM 57 CA ALA A 9 34.016 -3.643 24.280 1.00 0.00 C ATOM 58 C ALA A 9 34.845 -2.565 24.948 1.00 0.00 C ATOM 59 O ALA A 9 34.909 -1.436 24.467 1.00 0.00 O ATOM 60 CB ALA A 9 32.726 -3.908 25.050 1.00 0.00 C ATOM 0 H ALA A 9 34.428 -5.632 24.755 1.00 0.00 H new ATOM 0 HA ALA A 9 33.732 -3.327 23.276 1.00 0.00 H new ATOM 0 HB1 ALA A 9 32.121 -3.001 25.070 1.00 0.00 H new ATOM 0 HB2 ALA A 9 32.167 -4.706 24.560 1.00 0.00 H new ATOM 0 HB3 ALA A 9 32.966 -4.207 26.070 1.00 0.00 H new ATOM 63 N ARG A 10 35.499 -2.925 26.054 1.00 0.00 N ATOM 64 CA ARG A 10 36.357 -2.001 26.762 1.00 0.00 C ATOM 65 C ARG A 10 37.451 -1.534 25.813 1.00 0.00 C ATOM 66 O ARG A 10 37.924 -0.405 25.920 1.00 0.00 O ATOM 67 CB ARG A 10 36.955 -2.695 27.982 1.00 0.00 C ATOM 0 H ARG A 10 35.444 -3.854 26.472 1.00 0.00 H new ATOM 0 HA ARG A 10 35.789 -1.137 27.106 1.00 0.00 H new ATOM 70 N GLU A 11 37.843 -2.396 24.868 1.00 0.00 N ATOM 71 CA GLU A 11 38.870 -2.040 23.912 1.00 0.00 C ATOM 72 C GLU A 11 38.348 -0.866 23.103 1.00 0.00 C ATOM 73 O GLU A 11 39.090 0.058 22.776 1.00 0.00 O ATOM 74 CB GLU A 11 39.171 -3.235 23.013 1.00 0.00 C ATOM 0 H GLU A 11 37.462 -3.335 24.754 1.00 0.00 H new ATOM 0 HA GLU A 11 39.798 -1.762 24.412 1.00 0.00 H new ATOM 77 N ALA A 12 37.050 -0.909 22.801 1.00 0.00 N ATOM 78 CA ALA A 12 36.394 0.137 22.039 1.00 0.00 C ATOM 79 C ALA A 12 36.343 1.408 22.875 1.00 0.00 C ATOM 80 O ALA A 12 36.612 2.498 22.374 1.00 0.00 O ATOM 81 CB ALA A 12 34.984 -0.318 21.675 1.00 0.00 C ATOM 0 H ALA A 12 36.431 -1.670 23.080 1.00 0.00 H new ATOM 0 HA ALA A 12 36.948 0.339 21.122 1.00 0.00 H new ATOM 0 HB1 ALA A 12 34.486 0.464 21.102 1.00 0.00 H new ATOM 0 HB2 ALA A 12 35.038 -1.227 21.077 1.00 0.00 H new ATOM 0 HB3 ALA A 12 34.419 -0.516 22.586 1.00 0.00 H new ATOM 84 N TYR A 13 36.004 1.259 24.158 1.00 0.00 N ATOM 85 CA TYR A 13 35.920 2.384 25.067 1.00 0.00 C ATOM 86 C TYR A 13 37.275 3.071 25.148 1.00 0.00 C ATOM 87 O TYR A 13 37.354 4.269 25.417 1.00 0.00 O ATOM 88 CB TYR A 13 35.479 1.892 26.442 1.00 0.00 C ATOM 0 H TYR A 13 35.783 0.359 24.585 1.00 0.00 H new ATOM 0 HA TYR A 13 35.187 3.104 24.703 1.00 0.00 H new ATOM 91 N PHE A 14 38.343 2.311 24.891 1.00 0.00 N ATOM 92 CA PHE A 14 39.690 2.842 24.932 1.00 0.00 C ATOM 93 C PHE A 14 39.930 3.646 23.665 1.00 0.00 C ATOM 94 O PHE A 14 40.534 4.715 23.709 1.00 0.00 O ATOM 95 CB PHE A 14 40.687 1.692 25.045 1.00 0.00 C ATOM 0 H PHE A 14 38.290 1.321 24.652 1.00 0.00 H new ATOM 0 HA PHE A 14 39.820 3.491 25.798 1.00 0.00 H new ATOM 98 N LYS A 15 39.444 3.130 22.534 1.00 0.00 N ATOM 99 CA LYS A 15 39.586 3.804 21.260 1.00 0.00 C ATOM 100 C LYS A 15 38.764 5.085 21.281 1.00 0.00 C ATOM 101 O LYS A 15 39.121 6.066 20.633 1.00 0.00 O ATOM 102 CB LYS A 15 39.119 2.879 20.140 1.00 0.00 C ATOM 0 H LYS A 15 38.947 2.241 22.484 1.00 0.00 H new ATOM 0 HA LYS A 15 40.631 4.059 21.084 1.00 0.00 H new ATOM 105 N SER A 16 37.663 5.072 22.037 1.00 0.00 N ATOM 106 CA SER A 16 36.799 6.230 22.152 1.00 0.00 C ATOM 107 C SER A 16 37.544 7.357 22.853 1.00 0.00 C ATOM 108 O SER A 16 37.844 8.382 22.244 1.00 0.00 O ATOM 109 CB SER A 16 35.538 5.850 22.923 1.00 0.00 C ATOM 0 H SER A 16 37.355 4.264 22.578 1.00 0.00 H new ATOM 0 HA SER A 16 36.509 6.574 21.159 1.00 0.00 H new ATOM 112 N LEU A 17 37.846 7.167 24.141 1.00 0.00 N ATOM 113 CA LEU A 17 38.563 8.169 24.904 1.00 0.00 C ATOM 114 C LEU A 17 39.894 8.438 24.216 1.00 0.00 C ATOM 115 O LEU A 17 40.417 9.550 24.263 1.00 0.00 O ATOM 116 CB LEU A 17 38.778 7.667 26.329 1.00 0.00 C ATOM 0 H LEU A 17 37.602 6.328 24.668 1.00 0.00 H new ATOM 0 HA LEU A 17 37.991 9.096 24.953 1.00 0.00 H new ATOM 119 N GLY A 18 40.425 7.407 23.556 1.00 0.00 N ATOM 120 CA GLY A 18 41.682 7.505 22.850 1.00 0.00 C ATOM 121 C GLY A 18 41.512 8.369 21.610 1.00 0.00 C ATOM 122 O GLY A 18 42.479 8.960 21.134 1.00 0.00 O ATOM 0 H GLY A 18 39.988 6.487 23.502 1.00 0.00 H new ATOM 0 HA2 GLY A 18 42.443 7.934 23.502 1.00 0.00 H new ATOM 0 HA3 GLY A 18 42.029 6.511 22.567 1.00 0.00 H new ATOM 126 N GLY A 19 40.285 8.457 21.085 1.00 0.00 N ATOM 127 CA GLY A 19 40.011 9.256 19.908 1.00 0.00 C ATOM 128 C GLY A 19 39.963 10.725 20.299 1.00 0.00 C ATOM 129 O GLY A 19 40.477 11.579 19.579 1.00 0.00 O ATOM 0 H GLY A 19 39.469 7.978 21.466 1.00 0.00 H new ATOM 0 HA2 GLY A 19 40.783 9.093 19.156 1.00 0.00 H new ATOM 0 HA3 GLY A 19 39.063 8.955 19.462 1.00 0.00 H new ATOM 133 N SER A 20 39.352 11.015 21.450 1.00 0.00 N ATOM 134 CA SER A 20 39.277 12.377 21.942 1.00 0.00 C ATOM 135 C SER A 20 40.703 12.901 22.088 1.00 0.00 C ATOM 136 O SER A 20 41.015 13.986 21.602 1.00 0.00 O ATOM 137 CB SER A 20 38.557 12.390 23.288 1.00 0.00 C ATOM 0 H SER A 20 38.906 10.322 22.051 1.00 0.00 H new ATOM 0 HA SER A 20 38.721 13.012 21.252 1.00 0.00 H new ATOM 140 N MET A 21 41.573 12.127 22.750 1.00 0.00 N ATOM 141 CA MET A 21 42.963 12.485 22.961 1.00 0.00 C ATOM 142 C MET A 21 43.710 12.743 21.653 1.00 0.00 C ATOM 143 O MET A 21 44.454 13.713 21.548 1.00 0.00 O ATOM 144 CB MET A 21 43.646 11.358 23.731 1.00 0.00 C ATOM 0 H MET A 21 41.319 11.226 23.155 1.00 0.00 H new ATOM 0 HA MET A 21 42.988 13.416 23.528 1.00 0.00 H new ATOM 147 N LYS A 22 43.527 11.854 20.675 1.00 0.00 N ATOM 148 CA LYS A 22 44.198 11.968 19.389 1.00 0.00 C ATOM 149 C LYS A 22 43.713 13.203 18.638 1.00 0.00 C ATOM 150 O LYS A 22 44.483 14.126 18.382 1.00 0.00 O ATOM 151 CB LYS A 22 43.944 10.705 18.571 1.00 0.00 C ATOM 0 H LYS A 22 42.914 11.043 20.755 1.00 0.00 H new ATOM 0 HA LYS A 22 45.270 12.077 19.553 1.00 0.00 H new ATOM 154 N ALA A 23 42.427 13.201 18.287 1.00 0.00 N ATOM 155 CA ALA A 23 41.837 14.333 17.592 1.00 0.00 C ATOM 156 C ALA A 23 42.052 15.596 18.430 1.00 0.00 C ATOM 157 O ALA A 23 41.980 16.714 17.925 1.00 0.00 O ATOM 158 CB ALA A 23 40.351 14.074 17.366 1.00 0.00 C ATOM 0 H ALA A 23 41.783 12.432 18.473 1.00 0.00 H new ATOM 0 HA ALA A 23 42.311 14.470 16.620 1.00 0.00 H new ATOM 0 HB1 ALA A 23 39.909 14.923 16.845 1.00 0.00 H new ATOM 0 HB2 ALA A 23 40.226 13.174 16.764 1.00 0.00 H new ATOM 0 HB3 ALA A 23 39.855 13.940 18.327 1.00 0.00 H new ATOM 161 N MET A 24 42.344 15.385 19.716 1.00 0.00 N ATOM 162 CA MET A 24 42.558 16.463 20.659 1.00 0.00 C ATOM 163 C MET A 24 43.966 17.028 20.526 1.00 0.00 C ATOM 164 O MET A 24 44.144 18.241 20.453 1.00 0.00 O ATOM 165 CB MET A 24 42.320 15.947 22.075 1.00 0.00 C ATOM 0 H MET A 24 42.437 14.455 20.125 1.00 0.00 H new ATOM 0 HA MET A 24 41.855 17.268 20.444 1.00 0.00 H new ATOM 168 N THR A 25 44.965 16.143 20.494 1.00 0.00 N ATOM 169 CA THR A 25 46.356 16.544 20.411 1.00 0.00 C ATOM 170 C THR A 25 46.683 17.134 19.049 1.00 0.00 C ATOM 171 O THR A 25 47.567 17.982 18.943 1.00 0.00 O ATOM 172 CB THR A 25 47.242 15.334 20.695 1.00 0.00 C ATOM 0 H THR A 25 44.825 15.133 20.525 1.00 0.00 H new ATOM 0 HA THR A 25 46.542 17.319 21.154 1.00 0.00 H new ATOM 175 N GLY A 26 45.970 16.701 18.006 1.00 0.00 N ATOM 176 CA GLY A 26 46.200 17.189 16.660 1.00 0.00 C ATOM 177 C GLY A 26 45.515 18.537 16.498 1.00 0.00 C ATOM 178 O GLY A 26 46.124 19.499 16.035 1.00 0.00 O ATOM 0 H GLY A 26 45.225 16.008 18.078 1.00 0.00 H new ATOM 0 HA2 GLY A 26 47.269 17.285 16.472 1.00 0.00 H new ATOM 0 HA3 GLY A 26 45.811 16.479 15.930 1.00 0.00 H new ATOM 182 N VAL A 27 44.240 18.599 16.889 1.00 0.00 N ATOM 183 CA VAL A 27 43.477 19.826 16.796 1.00 0.00 C ATOM 184 C VAL A 27 44.110 20.881 17.693 1.00 0.00 C ATOM 185 O VAL A 27 44.316 22.017 17.272 1.00 0.00 O ATOM 186 CB VAL A 27 42.031 19.559 17.203 1.00 0.00 C ATOM 0 H VAL A 27 43.722 17.808 17.272 1.00 0.00 H new ATOM 0 HA VAL A 27 43.483 20.194 15.770 1.00 0.00 H new ATOM 189 N ALA A 28 44.424 20.494 18.931 1.00 0.00 N ATOM 190 CA ALA A 28 45.026 21.400 19.889 1.00 0.00 C ATOM 191 C ALA A 28 46.377 21.902 19.400 1.00 0.00 C ATOM 192 O ALA A 28 46.687 23.080 19.558 1.00 0.00 O ATOM 193 CB ALA A 28 45.181 20.701 21.236 1.00 0.00 C ATOM 0 H ALA A 28 44.267 19.551 19.287 1.00 0.00 H new ATOM 0 HA ALA A 28 44.369 22.262 20.003 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.634 21.387 21.952 1.00 0.00 H new ATOM 0 HB2 ALA A 28 44.201 20.391 21.600 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.819 19.825 21.120 1.00 0.00 H new ATOM 196 N LYS A 29 47.185 21.018 18.805 1.00 0.00 N ATOM 197 CA LYS A 29 48.502 21.383 18.324 1.00 0.00 C ATOM 198 C LYS A 29 48.401 22.140 17.008 1.00 0.00 C ATOM 199 O LYS A 29 49.298 22.908 16.667 1.00 0.00 O ATOM 200 CB LYS A 29 49.340 20.120 18.150 1.00 0.00 C ATOM 0 H LYS A 29 46.939 20.041 18.649 1.00 0.00 H new ATOM 0 HA LYS A 29 48.981 22.038 19.052 1.00 0.00 H new ATOM 203 N ALA A 30 47.311 21.925 16.268 1.00 0.00 N ATOM 204 CA ALA A 30 47.105 22.582 14.993 1.00 0.00 C ATOM 205 C ALA A 30 46.832 24.065 15.209 1.00 0.00 C ATOM 206 O ALA A 30 47.477 24.701 16.041 1.00 0.00 O ATOM 207 CB ALA A 30 45.947 21.905 14.266 1.00 0.00 C ATOM 0 H ALA A 30 46.557 21.294 16.540 1.00 0.00 H new ATOM 0 HA ALA A 30 48.001 22.496 14.379 1.00 0.00 H new ATOM 0 HB1 ALA A 30 45.785 22.394 13.305 1.00 0.00 H new ATOM 0 HB2 ALA A 30 46.184 20.854 14.103 1.00 0.00 H new ATOM 0 HB3 ALA A 30 45.043 21.983 14.870 1.00 0.00 H new ATOM 210 N PHE A 31 45.871 24.619 14.465 1.00 0.00 N ATOM 211 CA PHE A 31 45.528 26.022 14.577 1.00 0.00 C ATOM 212 C PHE A 31 44.491 26.374 13.521 1.00 0.00 C ATOM 213 O PHE A 31 44.830 26.562 12.355 1.00 0.00 O ATOM 214 CB PHE A 31 46.786 26.868 14.402 1.00 0.00 C ATOM 0 H PHE A 31 45.319 24.106 13.777 1.00 0.00 H new ATOM 0 HA PHE A 31 45.106 26.225 15.561 1.00 0.00 H new ATOM 217 N ASP A 32 43.225 26.471 13.933 1.00 0.00 N ATOM 218 CA ASP A 32 42.151 26.799 13.018 1.00 0.00 C ATOM 219 C ASP A 32 40.833 26.913 13.770 1.00 0.00 C ATOM 220 O ASP A 32 40.502 27.986 14.269 1.00 0.00 O ATOM 221 CB ASP A 32 42.064 25.731 11.932 1.00 0.00 C ATOM 0 H ASP A 32 42.927 26.325 14.898 1.00 0.00 H new ATOM 0 HA ASP A 32 42.356 27.762 12.550 1.00 0.00 H new ATOM 224 N ALA A 33 40.094 25.800 13.846 1.00 0.00 N ATOM 225 CA ALA A 33 38.806 25.751 14.514 1.00 0.00 C ATOM 226 C ALA A 33 38.088 24.466 14.126 1.00 0.00 C ATOM 227 O ALA A 33 37.409 23.855 14.949 1.00 0.00 O ATOM 228 CB ALA A 33 37.954 26.952 14.109 1.00 0.00 C ATOM 0 H ALA A 33 40.382 24.909 13.441 1.00 0.00 H new ATOM 0 HA ALA A 33 38.963 25.777 15.592 1.00 0.00 H new ATOM 0 HB1 ALA A 33 36.991 26.903 14.617 1.00 0.00 H new ATOM 0 HB2 ALA A 33 38.466 27.872 14.390 1.00 0.00 H new ATOM 0 HB3 ALA A 33 37.796 26.939 13.031 1.00 0.00 H new ATOM 231 N GLU A 34 38.246 24.058 12.864 1.00 0.00 N ATOM 232 CA GLU A 34 37.602 22.867 12.349 1.00 0.00 C ATOM 233 C GLU A 34 38.073 21.621 13.086 1.00 0.00 C ATOM 234 O GLU A 34 37.255 20.805 13.503 1.00 0.00 O ATOM 235 CB GLU A 34 37.892 22.746 10.855 1.00 0.00 C ATOM 0 H GLU A 34 38.823 24.548 12.180 1.00 0.00 H new ATOM 0 HA GLU A 34 36.527 22.953 12.507 1.00 0.00 H new ATOM 238 N ALA A 35 39.390 21.469 13.247 1.00 0.00 N ATOM 239 CA ALA A 35 39.955 20.312 13.912 1.00 0.00 C ATOM 240 C ALA A 35 39.408 20.183 15.327 1.00 0.00 C ATOM 241 O ALA A 35 38.925 19.117 15.701 1.00 0.00 O ATOM 242 CB ALA A 35 41.475 20.434 13.928 1.00 0.00 C ATOM 0 H ALA A 35 40.082 22.143 12.920 1.00 0.00 H new ATOM 0 HA ALA A 35 39.674 19.411 13.366 1.00 0.00 H new ATOM 0 HB1 ALA A 35 41.904 19.566 14.427 1.00 0.00 H new ATOM 0 HB2 ALA A 35 41.847 20.485 12.905 1.00 0.00 H new ATOM 0 HB3 ALA A 35 41.762 21.339 14.463 1.00 0.00 H new ATOM 245 N ALA A 36 39.499 21.265 16.108 1.00 0.00 N ATOM 246 CA ALA A 36 39.020 21.284 17.479 1.00 0.00 C ATOM 247 C ALA A 36 37.599 20.745 17.559 1.00 0.00 C ATOM 248 O ALA A 36 37.322 19.857 18.362 1.00 0.00 O ATOM 249 CB ALA A 36 39.084 22.712 18.015 1.00 0.00 C ATOM 0 H ALA A 36 39.908 22.147 15.800 1.00 0.00 H new ATOM 0 HA ALA A 36 39.655 20.642 18.090 1.00 0.00 H new ATOM 0 HB1 ALA A 36 38.725 22.731 19.044 1.00 0.00 H new ATOM 0 HB2 ALA A 36 40.114 23.067 17.983 1.00 0.00 H new ATOM 0 HB3 ALA A 36 38.458 23.360 17.401 1.00 0.00 H new ATOM 252 N LYS A 37 36.706 21.284 16.724 1.00 0.00 N ATOM 253 CA LYS A 37 35.324 20.847 16.686 1.00 0.00 C ATOM 254 C LYS A 37 35.261 19.336 16.513 1.00 0.00 C ATOM 255 O LYS A 37 34.539 18.657 17.241 1.00 0.00 O ATOM 256 CB LYS A 37 34.602 21.552 15.541 1.00 0.00 C ATOM 0 H LYS A 37 36.927 22.029 16.064 1.00 0.00 H new ATOM 0 HA LYS A 37 34.833 21.104 17.624 1.00 0.00 H new ATOM 259 N VAL A 38 36.026 18.807 15.555 1.00 0.00 N ATOM 260 CA VAL A 38 36.062 17.382 15.297 1.00 0.00 C ATOM 261 C VAL A 38 36.472 16.634 16.558 1.00 0.00 C ATOM 262 O VAL A 38 35.923 15.574 16.867 1.00 0.00 O ATOM 263 CB VAL A 38 37.041 17.099 14.162 1.00 0.00 C ATOM 0 H VAL A 38 36.631 19.357 14.945 1.00 0.00 H new ATOM 0 HA VAL A 38 35.070 17.039 15.003 1.00 0.00 H new ATOM 266 N GLU A 39 37.426 17.185 17.314 1.00 0.00 N ATOM 267 CA GLU A 39 37.879 16.556 18.530 1.00 0.00 C ATOM 268 C GLU A 39 36.688 16.493 19.463 1.00 0.00 C ATOM 269 O GLU A 39 36.478 15.477 20.117 1.00 0.00 O ATOM 270 CB GLU A 39 39.016 17.372 19.140 1.00 0.00 C ATOM 0 H GLU A 39 37.892 18.066 17.094 1.00 0.00 H new ATOM 0 HA GLU A 39 38.263 15.553 18.344 1.00 0.00 H new ATOM 273 N ALA A 40 35.919 17.586 19.510 1.00 0.00 N ATOM 274 CA ALA A 40 34.721 17.663 20.324 1.00 0.00 C ATOM 275 C ALA A 40 33.834 16.457 20.043 1.00 0.00 C ATOM 276 O ALA A 40 33.327 15.832 20.971 1.00 0.00 O ATOM 277 CB ALA A 40 33.982 18.963 20.017 1.00 0.00 C ATOM 0 H ALA A 40 36.117 18.436 18.982 1.00 0.00 H new ATOM 0 HA ALA A 40 34.989 17.655 21.380 1.00 0.00 H new ATOM 0 HB1 ALA A 40 33.081 19.022 20.628 1.00 0.00 H new ATOM 0 HB2 ALA A 40 34.629 19.811 20.241 1.00 0.00 H new ATOM 0 HB3 ALA A 40 33.707 18.985 18.962 1.00 0.00 H new ATOM 280 N ALA A 41 33.645 16.135 18.760 1.00 0.00 N ATOM 281 CA ALA A 41 32.852 14.986 18.368 1.00 0.00 C ATOM 282 C ALA A 41 33.394 13.749 19.072 1.00 0.00 C ATOM 283 O ALA A 41 32.643 13.000 19.696 1.00 0.00 O ATOM 284 CB ALA A 41 32.914 14.818 16.852 1.00 0.00 C ATOM 0 H ALA A 41 34.036 16.662 17.979 1.00 0.00 H new ATOM 0 HA ALA A 41 31.810 15.129 18.656 1.00 0.00 H new ATOM 0 HB1 ALA A 41 32.318 13.954 16.557 1.00 0.00 H new ATOM 0 HB2 ALA A 41 32.520 15.713 16.370 1.00 0.00 H new ATOM 0 HB3 ALA A 41 33.949 14.667 16.545 1.00 0.00 H new ATOM 287 N LYS A 42 34.711 13.545 18.992 1.00 0.00 N ATOM 288 CA LYS A 42 35.335 12.413 19.649 1.00 0.00 C ATOM 289 C LYS A 42 35.080 12.523 21.149 1.00 0.00 C ATOM 290 O LYS A 42 34.891 11.513 21.824 1.00 0.00 O ATOM 291 CB LYS A 42 36.829 12.404 19.341 1.00 0.00 C ATOM 0 H LYS A 42 35.355 14.149 18.481 1.00 0.00 H new ATOM 0 HA LYS A 42 34.913 11.476 19.286 1.00 0.00 H new ATOM 294 N LEU A 43 35.073 13.762 21.651 1.00 0.00 N ATOM 295 CA LEU A 43 34.814 14.030 23.052 1.00 0.00 C ATOM 296 C LEU A 43 33.478 13.392 23.377 1.00 0.00 C ATOM 297 O LEU A 43 33.397 12.592 24.304 1.00 0.00 O ATOM 298 CB LEU A 43 34.800 15.534 23.313 1.00 0.00 C ATOM 0 H LEU A 43 35.247 14.598 21.093 1.00 0.00 H new ATOM 0 HA LEU A 43 35.595 13.614 23.689 1.00 0.00 H new ATOM 301 N GLU A 44 32.444 13.780 22.621 1.00 0.00 N ATOM 302 CA GLU A 44 31.119 13.201 22.733 1.00 0.00 C ATOM 303 C GLU A 44 31.202 11.687 22.893 1.00 0.00 C ATOM 304 O GLU A 44 30.557 11.131 23.775 1.00 0.00 O ATOM 305 CB GLU A 44 30.303 13.566 21.496 1.00 0.00 C ATOM 0 H GLU A 44 32.514 14.510 21.912 1.00 0.00 H new ATOM 0 HA GLU A 44 30.628 13.603 23.620 1.00 0.00 H new ATOM 308 N LYS A 45 31.996 11.014 22.055 1.00 0.00 N ATOM 309 CA LYS A 45 32.162 9.571 22.156 1.00 0.00 C ATOM 310 C LYS A 45 32.573 9.168 23.573 1.00 0.00 C ATOM 311 O LYS A 45 32.015 8.234 24.145 1.00 0.00 O ATOM 312 CB LYS A 45 33.208 9.112 21.144 1.00 0.00 C ATOM 0 H LYS A 45 32.530 11.449 21.303 1.00 0.00 H new ATOM 0 HA LYS A 45 31.210 9.087 21.936 1.00 0.00 H new ATOM 315 N ILE A 46 33.547 9.889 24.133 1.00 0.00 N ATOM 316 CA ILE A 46 34.022 9.629 25.483 1.00 0.00 C ATOM 317 C ILE A 46 32.886 9.910 26.460 1.00 0.00 C ATOM 318 O ILE A 46 32.646 9.134 27.382 1.00 0.00 O ATOM 319 CB ILE A 46 35.234 10.508 25.780 1.00 0.00 C ATOM 0 H ILE A 46 34.021 10.661 23.664 1.00 0.00 H new ATOM 0 HA ILE A 46 34.330 8.588 25.586 1.00 0.00 H new ATOM 322 N LEU A 47 32.179 11.020 26.232 1.00 0.00 N ATOM 323 CA LEU A 47 31.017 11.360 27.032 1.00 0.00 C ATOM 324 C LEU A 47 29.966 10.426 26.463 1.00 0.00 C ATOM 325 O LEU A 47 29.018 10.859 25.811 1.00 0.00 O ATOM 326 CB LEU A 47 30.645 12.825 26.824 1.00 0.00 C ATOM 0 H LEU A 47 32.397 11.694 25.498 1.00 0.00 H new ATOM 0 HA LEU A 47 31.155 11.249 28.108 1.00 0.00 H new ATOM 329 N ALA A 48 30.186 9.129 26.687 1.00 0.00 N ATOM 330 CA ALA A 48 29.370 8.090 26.099 1.00 0.00 C ATOM 331 C ALA A 48 28.137 7.912 26.972 1.00 0.00 C ATOM 332 O ALA A 48 27.569 8.879 27.476 1.00 0.00 O ATOM 333 CB ALA A 48 30.203 6.815 25.986 1.00 0.00 C ATOM 0 H ALA A 48 30.937 8.780 27.282 1.00 0.00 H new ATOM 0 HA ALA A 48 29.038 8.349 25.094 1.00 0.00 H new ATOM 0 HB1 ALA A 48 29.598 6.023 25.544 1.00 0.00 H new ATOM 0 HB2 ALA A 48 31.072 7.003 25.356 1.00 0.00 H new ATOM 0 HB3 ALA A 48 30.534 6.507 26.978 1.00 0.00 H new ATOM 336 N THR A 49 27.762 6.643 27.162 1.00 0.00 N ATOM 337 CA THR A 49 26.739 6.255 28.107 1.00 0.00 C ATOM 338 C THR A 49 27.497 6.218 29.431 1.00 0.00 C ATOM 339 O THR A 49 28.467 6.952 29.602 1.00 0.00 O ATOM 340 CB THR A 49 26.185 4.881 27.740 1.00 0.00 C ATOM 0 H THR A 49 28.170 5.858 26.654 1.00 0.00 H new ATOM 0 HA THR A 49 25.880 6.925 28.134 1.00 0.00 H new ATOM 343 N ASP A 50 27.101 5.325 30.341 1.00 0.00 N ATOM 344 CA ASP A 50 27.830 5.125 31.582 1.00 0.00 C ATOM 345 C ASP A 50 29.009 4.211 31.256 1.00 0.00 C ATOM 346 O ASP A 50 28.821 3.007 31.093 1.00 0.00 O ATOM 347 CB ASP A 50 26.911 4.475 32.613 1.00 0.00 C ATOM 0 H ASP A 50 26.278 4.732 30.236 1.00 0.00 H new ATOM 0 HA ASP A 50 28.183 6.068 31.999 1.00 0.00 H new ATOM 350 N VAL A 51 30.223 4.765 31.146 1.00 0.00 N ATOM 351 CA VAL A 51 31.387 3.986 30.780 1.00 0.00 C ATOM 352 C VAL A 51 31.793 3.016 31.878 1.00 0.00 C ATOM 353 O VAL A 51 32.170 1.883 31.587 1.00 0.00 O ATOM 354 CB VAL A 51 32.539 4.932 30.454 1.00 0.00 C ATOM 0 H VAL A 51 30.413 5.754 31.308 1.00 0.00 H new ATOM 0 HA VAL A 51 31.136 3.388 29.904 1.00 0.00 H new ATOM 357 N ALA A 52 31.723 3.452 33.137 1.00 0.00 N ATOM 358 CA ALA A 52 32.135 2.608 34.238 1.00 0.00 C ATOM 359 C ALA A 52 33.629 2.386 34.056 1.00 0.00 C ATOM 360 O ALA A 52 34.386 2.342 35.023 1.00 0.00 O ATOM 361 CB ALA A 52 31.368 1.289 34.201 1.00 0.00 C ATOM 0 H ALA A 52 31.387 4.376 33.409 1.00 0.00 H new ATOM 0 HA ALA A 52 31.927 3.065 35.206 1.00 0.00 H new ATOM 0 HB1 ALA A 52 31.685 0.660 35.033 1.00 0.00 H new ATOM 0 HB2 ALA A 52 30.299 1.487 34.282 1.00 0.00 H new ATOM 0 HB3 ALA A 52 31.571 0.776 33.261 1.00 0.00 H new ATOM 364 N PRO A 53 34.039 2.273 32.790 1.00 0.00 N ATOM 365 CA PRO A 53 35.429 2.104 32.420 1.00 0.00 C ATOM 366 C PRO A 53 35.960 0.729 32.792 1.00 0.00 C ATOM 367 O PRO A 53 37.031 0.657 33.392 1.00 0.00 O ATOM 368 CB PRO A 53 36.261 3.195 33.088 1.00 0.00 C ATOM 0 HA PRO A 53 35.504 2.188 31.336 1.00 0.00 H new ATOM 370 N LEU A 54 35.224 -0.328 32.409 1.00 0.00 N ATOM 371 CA LEU A 54 35.567 -1.728 32.638 1.00 0.00 C ATOM 372 C LEU A 54 34.303 -2.515 32.962 1.00 0.00 C ATOM 373 O LEU A 54 33.198 -1.984 32.875 1.00 0.00 O ATOM 374 CB LEU A 54 36.572 -1.926 33.771 1.00 0.00 C ATOM 0 H LEU A 54 34.340 -0.218 31.912 1.00 0.00 H new ATOM 0 HA LEU A 54 36.034 -2.088 31.721 1.00 0.00 H new ATOM 377 N PHE A 55 34.491 -3.783 33.341 1.00 0.00 N ATOM 378 CA PHE A 55 33.395 -4.663 33.707 1.00 0.00 C ATOM 379 C PHE A 55 33.882 -5.710 34.698 1.00 0.00 C ATOM 380 O PHE A 55 33.427 -6.852 34.669 1.00 0.00 O ATOM 381 CB PHE A 55 32.825 -5.321 32.453 1.00 0.00 C ATOM 0 H PHE A 55 35.410 -4.221 33.400 1.00 0.00 H new ATOM 0 HA PHE A 55 32.604 -4.084 34.183 1.00 0.00 H new ATOM 384 N PRO A 56 34.809 -5.312 35.574 1.00 0.00 N ATOM 385 CA PRO A 56 35.361 -6.193 36.586 1.00 0.00 C ATOM 386 C PRO A 56 35.860 -7.489 35.961 1.00 0.00 C ATOM 387 O PRO A 56 37.015 -7.582 35.554 1.00 0.00 O ATOM 388 CB PRO A 56 36.494 -5.474 37.312 1.00 0.00 C ATOM 0 HA PRO A 56 34.580 -6.451 37.302 1.00 0.00 H new ATOM 390 N ALA A 57 34.982 -8.494 35.898 1.00 0.00 N ATOM 391 CA ALA A 57 35.326 -9.783 35.332 1.00 0.00 C ATOM 392 C ALA A 57 35.517 -9.658 33.828 1.00 0.00 C ATOM 393 O ALA A 57 34.601 -9.942 33.059 1.00 0.00 O ATOM 394 CB ALA A 57 34.221 -10.785 35.653 1.00 0.00 C ATOM 0 H ALA A 57 34.022 -8.429 36.237 1.00 0.00 H new ATOM 0 HA ALA A 57 36.262 -10.135 35.766 1.00 0.00 H new ATOM 0 HB1 ALA A 57 34.476 -11.756 35.229 1.00 0.00 H new ATOM 0 HB2 ALA A 57 34.116 -10.877 36.734 1.00 0.00 H new ATOM 0 HB3 ALA A 57 33.280 -10.438 35.226 1.00 0.00 H new ATOM 397 N GLY A 58 36.714 -9.243 33.408 1.00 0.00 N ATOM 398 CA GLY A 58 37.012 -9.091 31.998 1.00 0.00 C ATOM 399 C GLY A 58 38.409 -8.517 31.814 1.00 0.00 C ATOM 400 O GLY A 58 38.570 -7.451 31.225 1.00 0.00 O ATOM 0 H GLY A 58 37.487 -9.008 34.031 1.00 0.00 H new ATOM 0 HA2 GLY A 58 36.939 -10.057 31.497 1.00 0.00 H new ATOM 0 HA3 GLY A 58 36.277 -8.434 31.532 1.00 0.00 H new ATOM 404 N THR A 59 39.420 -9.227 32.320 1.00 0.00 N ATOM 405 CA THR A 59 40.792 -8.780 32.210 1.00 0.00 C ATOM 406 C THR A 59 40.972 -7.529 33.055 1.00 0.00 C ATOM 407 O THR A 59 41.546 -6.543 32.597 1.00 0.00 O ATOM 408 CB THR A 59 41.125 -8.503 30.747 1.00 0.00 C ATOM 0 H THR A 59 39.304 -10.114 32.809 1.00 0.00 H new ATOM 0 HA THR A 59 41.471 -9.552 32.573 1.00 0.00 H new ATOM 411 N SER A 60 40.469 -7.570 34.290 1.00 0.00 N ATOM 412 CA SER A 60 40.570 -6.443 35.195 1.00 0.00 C ATOM 413 C SER A 60 40.157 -6.868 36.596 1.00 0.00 C ATOM 414 O SER A 60 39.016 -6.651 36.999 1.00 0.00 O ATOM 415 CB SER A 60 39.692 -5.302 34.689 1.00 0.00 C ATOM 0 H SER A 60 39.987 -8.380 34.680 1.00 0.00 H new ATOM 0 HA SER A 60 41.602 -6.094 35.235 1.00 0.00 H new ATOM 418 N SER A 61 41.102 -7.456 37.335 1.00 0.00 N ATOM 419 CA SER A 61 40.864 -7.932 38.685 1.00 0.00 C ATOM 420 C SER A 61 42.036 -8.804 39.110 1.00 0.00 C ATOM 421 O SER A 61 42.932 -8.343 39.814 1.00 0.00 O ATOM 422 CB SER A 61 39.568 -8.738 38.737 1.00 0.00 C ATOM 0 H SER A 61 42.055 -7.612 37.005 1.00 0.00 H new ATOM 0 HA SER A 61 40.770 -7.083 39.362 1.00 0.00 H new ATOM 425 N THR A 62 42.015 -10.066 38.674 1.00 0.00 N ATOM 426 CA THR A 62 43.064 -11.018 38.983 1.00 0.00 C ATOM 427 C THR A 62 44.204 -10.841 37.992 1.00 0.00 C ATOM 428 O THR A 62 44.367 -9.764 37.421 1.00 0.00 O ATOM 429 CB THR A 62 42.498 -12.433 38.902 1.00 0.00 C ATOM 0 H THR A 62 41.266 -10.449 38.097 1.00 0.00 H new ATOM 0 HA THR A 62 43.443 -10.849 39.991 1.00 0.00 H new ATOM 432 N ASP A 63 44.985 -11.902 37.779 1.00 0.00 N ATOM 433 CA ASP A 63 46.101 -11.870 36.856 1.00 0.00 C ATOM 434 C ASP A 63 46.468 -13.294 36.460 1.00 0.00 C ATOM 435 O ASP A 63 47.387 -13.881 37.026 1.00 0.00 O ATOM 436 CB ASP A 63 47.286 -11.168 37.515 1.00 0.00 C ATOM 0 H ASP A 63 44.855 -12.801 38.244 1.00 0.00 H new ATOM 0 HA ASP A 63 45.827 -11.317 35.957 1.00 0.00 H new ATOM 439 N LEU A 64 45.750 -13.844 35.478 1.00 0.00 N ATOM 440 CA LEU A 64 46.005 -15.192 35.008 1.00 0.00 C ATOM 441 C LEU A 64 47.453 -15.285 34.552 1.00 0.00 C ATOM 442 O LEU A 64 48.150 -16.246 34.871 1.00 0.00 O ATOM 443 CB LEU A 64 45.052 -15.520 33.862 1.00 0.00 C ATOM 0 H LEU A 64 44.987 -13.368 34.997 1.00 0.00 H new ATOM 0 HA LEU A 64 45.838 -15.912 35.809 1.00 0.00 H new ATOM 446 N PRO A 65 47.897 -14.268 33.810 1.00 0.00 N ATOM 447 CA PRO A 65 49.255 -14.189 33.309 1.00 0.00 C ATOM 448 C PRO A 65 49.583 -12.723 33.075 1.00 0.00 C ATOM 449 O PRO A 65 50.017 -12.035 33.996 1.00 0.00 O ATOM 450 CB PRO A 65 49.376 -14.993 32.018 1.00 0.00 C ATOM 0 HA PRO A 65 49.959 -14.609 34.027 1.00 0.00 H new ATOM 452 N GLY A 66 49.377 -12.254 31.840 1.00 0.00 N ATOM 453 CA GLY A 66 49.614 -10.872 31.470 1.00 0.00 C ATOM 454 C GLY A 66 48.658 -10.498 30.346 1.00 0.00 C ATOM 455 O GLY A 66 49.087 -10.079 29.274 1.00 0.00 O ATOM 0 H GLY A 66 49.039 -12.833 31.071 1.00 0.00 H new ATOM 0 HA2 GLY A 66 49.461 -10.219 32.329 1.00 0.00 H new ATOM 0 HA3 GLY A 66 50.647 -10.739 31.148 1.00 0.00 H new ATOM 459 N GLN A 67 47.355 -10.655 30.599 1.00 0.00 N ATOM 460 CA GLN A 67 46.333 -10.339 29.619 1.00 0.00 C ATOM 461 C GLN A 67 46.369 -8.854 29.286 1.00 0.00 C ATOM 462 O GLN A 67 47.236 -8.126 29.766 1.00 0.00 O ATOM 463 CB GLN A 67 44.966 -10.733 30.171 1.00 0.00 C ATOM 0 H GLN A 67 46.989 -11.003 31.485 1.00 0.00 H new ATOM 0 HA GLN A 67 46.521 -10.898 28.702 1.00 0.00 H new ATOM 466 N THR A 68 45.422 -8.399 28.462 1.00 0.00 N ATOM 467 CA THR A 68 45.352 -7.009 28.059 1.00 0.00 C ATOM 468 C THR A 68 46.536 -6.680 27.162 1.00 0.00 C ATOM 469 O THR A 68 47.492 -7.449 27.089 1.00 0.00 O ATOM 470 CB THR A 68 45.341 -6.116 29.297 1.00 0.00 C ATOM 0 H THR A 68 44.690 -8.987 28.062 1.00 0.00 H new ATOM 0 HA THR A 68 44.434 -6.832 27.499 1.00 0.00 H new ATOM 473 N GLU A 69 46.467 -5.541 26.470 1.00 0.00 N ATOM 474 CA GLU A 69 47.541 -5.118 25.596 1.00 0.00 C ATOM 475 C GLU A 69 48.821 -5.038 26.413 1.00 0.00 C ATOM 476 O GLU A 69 49.881 -5.460 25.958 1.00 0.00 O ATOM 477 CB GLU A 69 47.198 -3.761 24.987 1.00 0.00 C ATOM 0 H GLU A 69 45.674 -4.901 26.504 1.00 0.00 H new ATOM 0 HA GLU A 69 47.678 -5.830 24.782 1.00 0.00 H new ATOM 480 N ALA A 70 48.702 -4.509 27.634 1.00 0.00 N ATOM 481 CA ALA A 70 49.825 -4.374 28.538 1.00 0.00 C ATOM 482 C ALA A 70 49.398 -3.549 29.743 1.00 0.00 C ATOM 483 O ALA A 70 50.014 -2.529 30.042 1.00 0.00 O ATOM 484 CB ALA A 70 50.990 -3.701 27.817 1.00 0.00 C ATOM 0 H ALA A 70 47.820 -4.165 28.014 1.00 0.00 H new ATOM 0 HA ALA A 70 50.149 -5.359 28.875 1.00 0.00 H new ATOM 0 HB1 ALA A 70 51.833 -3.602 28.501 1.00 0.00 H new ATOM 0 HB2 ALA A 70 51.287 -4.307 26.961 1.00 0.00 H new ATOM 0 HB3 ALA A 70 50.683 -2.713 27.473 1.00 0.00 H new ATOM 487 N LYS A 71 48.337 -3.985 30.430 1.00 0.00 N ATOM 488 CA LYS A 71 47.841 -3.271 31.590 1.00 0.00 C ATOM 489 C LYS A 71 46.926 -4.145 32.439 1.00 0.00 C ATOM 490 O LYS A 71 45.869 -3.686 32.867 1.00 0.00 O ATOM 491 CB LYS A 71 47.100 -2.020 31.127 1.00 0.00 C ATOM 0 H LYS A 71 47.813 -4.828 30.196 1.00 0.00 H new ATOM 0 HA LYS A 71 48.690 -2.990 32.213 1.00 0.00 H new ATOM 494 N ALA A 72 47.329 -5.399 32.665 1.00 0.00 N ATOM 495 CA ALA A 72 46.564 -6.310 33.499 1.00 0.00 C ATOM 496 C ALA A 72 46.327 -5.623 34.837 1.00 0.00 C ATOM 497 O ALA A 72 45.209 -5.626 35.349 1.00 0.00 O ATOM 498 CB ALA A 72 47.333 -7.616 33.678 1.00 0.00 C ATOM 0 H ALA A 72 48.183 -5.800 32.278 1.00 0.00 H new ATOM 0 HA ALA A 72 45.607 -6.553 33.037 1.00 0.00 H new ATOM 0 HB1 ALA A 72 46.755 -8.296 34.304 1.00 0.00 H new ATOM 0 HB2 ALA A 72 47.502 -8.075 32.704 1.00 0.00 H new ATOM 0 HB3 ALA A 72 48.292 -7.411 34.154 1.00 0.00 H new ATOM 501 N ALA A 73 47.398 -5.016 35.357 1.00 0.00 N ATOM 502 CA ALA A 73 47.375 -4.242 36.586 1.00 0.00 C ATOM 503 C ALA A 73 47.492 -2.790 36.147 1.00 0.00 C ATOM 504 O ALA A 73 48.442 -2.455 35.442 1.00 0.00 O ATOM 505 CB ALA A 73 48.564 -4.639 37.456 1.00 0.00 C ATOM 0 H ALA A 73 48.320 -5.054 34.921 1.00 0.00 H new ATOM 0 HA ALA A 73 46.471 -4.409 37.171 1.00 0.00 H new ATOM 0 HB1 ALA A 73 48.549 -4.059 38.379 1.00 0.00 H new ATOM 0 HB2 ALA A 73 48.503 -5.701 37.693 1.00 0.00 H new ATOM 0 HB3 ALA A 73 49.491 -4.440 36.918 1.00 0.00 H new ATOM 508 N ILE A 74 46.539 -1.937 36.544 1.00 0.00 N ATOM 509 CA ILE A 74 46.503 -0.535 36.170 1.00 0.00 C ATOM 510 C ILE A 74 47.035 0.316 37.316 1.00 0.00 C ATOM 511 O ILE A 74 47.361 1.484 37.118 1.00 0.00 O ATOM 512 CB ILE A 74 45.058 -0.148 35.867 1.00 0.00 C ATOM 0 H ILE A 74 45.763 -2.216 37.144 1.00 0.00 H new ATOM 0 HA ILE A 74 47.124 -0.368 35.290 1.00 0.00 H new ATOM 515 N TRP A 75 47.118 -0.272 38.514 1.00 0.00 N ATOM 516 CA TRP A 75 47.604 0.413 39.696 1.00 0.00 C ATOM 517 C TRP A 75 46.566 1.398 40.215 1.00 0.00 C ATOM 518 O TRP A 75 46.485 2.521 39.723 1.00 0.00 O ATOM 519 CB TRP A 75 48.929 1.107 39.394 1.00 0.00 C ATOM 0 H TRP A 75 46.847 -1.241 38.682 1.00 0.00 H new ATOM 0 HA TRP A 75 47.778 -0.323 40.481 1.00 0.00 H new ATOM 522 N ALA A 76 45.809 0.964 41.230 1.00 0.00 N ATOM 523 CA ALA A 76 44.761 1.756 41.847 1.00 0.00 C ATOM 524 C ALA A 76 43.853 0.830 42.654 1.00 0.00 C ATOM 525 O ALA A 76 44.330 -0.073 43.338 1.00 0.00 O ATOM 526 CB ALA A 76 43.960 2.491 40.773 1.00 0.00 C ATOM 0 H ALA A 76 45.916 0.038 41.645 1.00 0.00 H new ATOM 0 HA ALA A 76 45.200 2.500 42.512 1.00 0.00 H new ATOM 0 HB1 ALA A 76 43.176 3.083 41.245 1.00 0.00 H new ATOM 0 HB2 ALA A 76 44.623 3.149 40.211 1.00 0.00 H new ATOM 0 HB3 ALA A 76 43.509 1.766 40.095 1.00 0.00 H new ATOM 529 N ASN A 77 42.541 1.055 42.558 1.00 0.00 N ATOM 530 CA ASN A 77 41.540 0.258 43.237 1.00 0.00 C ATOM 531 C ASN A 77 40.217 0.636 42.592 1.00 0.00 C ATOM 532 O ASN A 77 40.170 1.645 41.898 1.00 0.00 O ATOM 533 CB ASN A 77 41.543 0.583 44.728 1.00 0.00 C ATOM 0 H ASN A 77 42.147 1.809 41.996 1.00 0.00 H new ATOM 0 HA ASN A 77 41.728 -0.812 43.148 1.00 0.00 H new ATOM 536 N MET A 78 39.170 -0.176 42.773 1.00 0.00 N ATOM 537 CA MET A 78 37.861 0.102 42.201 1.00 0.00 C ATOM 538 C MET A 78 37.458 1.564 42.373 1.00 0.00 C ATOM 539 O MET A 78 36.932 2.177 41.447 1.00 0.00 O ATOM 540 CB MET A 78 36.827 -0.815 42.849 1.00 0.00 C ATOM 0 H MET A 78 39.212 -1.037 43.318 1.00 0.00 H new ATOM 0 HA MET A 78 37.909 -0.089 41.129 1.00 0.00 H new ATOM 543 N ASP A 79 37.721 2.124 43.556 1.00 0.00 N ATOM 544 CA ASP A 79 37.382 3.507 43.843 1.00 0.00 C ATOM 545 C ASP A 79 38.231 4.483 43.034 1.00 0.00 C ATOM 546 O ASP A 79 37.697 5.255 42.240 1.00 0.00 O ATOM 547 CB ASP A 79 37.548 3.765 45.338 1.00 0.00 C ATOM 0 H ASP A 79 38.170 1.633 44.329 1.00 0.00 H new ATOM 0 HA ASP A 79 36.345 3.673 43.552 1.00 0.00 H new ATOM 550 N ASP A 80 39.550 4.457 43.252 1.00 0.00 N ATOM 551 CA ASP A 80 40.470 5.350 42.567 1.00 0.00 C ATOM 552 C ASP A 80 40.263 5.288 41.059 1.00 0.00 C ATOM 553 O ASP A 80 40.209 6.317 40.388 1.00 0.00 O ATOM 554 CB ASP A 80 41.904 4.974 42.929 1.00 0.00 C ATOM 0 H ASP A 80 40.001 3.817 43.906 1.00 0.00 H new ATOM 0 HA ASP A 80 40.276 6.374 42.887 1.00 0.00 H new ATOM 557 N PHE A 81 40.141 4.067 40.537 1.00 0.00 N ATOM 558 CA PHE A 81 39.926 3.850 39.123 1.00 0.00 C ATOM 559 C PHE A 81 38.683 4.617 38.704 1.00 0.00 C ATOM 560 O PHE A 81 38.718 5.362 37.728 1.00 0.00 O ATOM 561 CB PHE A 81 39.766 2.357 38.852 1.00 0.00 C ATOM 0 H PHE A 81 40.190 3.210 41.088 1.00 0.00 H new ATOM 0 HA PHE A 81 40.779 4.207 38.546 1.00 0.00 H new ATOM 564 N GLY A 82 37.589 4.432 39.451 1.00 0.00 N ATOM 565 CA GLY A 82 36.345 5.123 39.181 1.00 0.00 C ATOM 566 C GLY A 82 36.607 6.619 39.105 1.00 0.00 C ATOM 567 O GLY A 82 36.034 7.307 38.262 1.00 0.00 O ATOM 0 H GLY A 82 37.551 3.802 40.252 1.00 0.00 H new ATOM 0 HA2 GLY A 82 35.915 4.769 38.244 1.00 0.00 H new ATOM 0 HA3 GLY A 82 35.619 4.909 39.965 1.00 0.00 H new ATOM 571 N ALA A 83 37.487 7.118 39.980 1.00 0.00 N ATOM 572 CA ALA A 83 37.843 8.521 39.998 1.00 0.00 C ATOM 573 C ALA A 83 38.309 8.954 38.615 1.00 0.00 C ATOM 574 O ALA A 83 37.645 9.774 37.987 1.00 0.00 O ATOM 575 CB ALA A 83 38.938 8.755 41.035 1.00 0.00 C ATOM 0 H ALA A 83 37.963 6.557 40.686 1.00 0.00 H new ATOM 0 HA ALA A 83 36.971 9.117 40.269 1.00 0.00 H new ATOM 0 HB1 ALA A 83 39.206 9.811 41.049 1.00 0.00 H new ATOM 0 HB2 ALA A 83 38.576 8.460 42.020 1.00 0.00 H new ATOM 0 HB3 ALA A 83 39.815 8.161 40.778 1.00 0.00 H new ATOM 578 N LYS A 84 39.449 8.413 38.165 1.00 0.00 N ATOM 579 CA LYS A 84 40.018 8.732 36.860 1.00 0.00 C ATOM 580 C LYS A 84 38.948 8.725 35.775 1.00 0.00 C ATOM 581 O LYS A 84 38.998 9.518 34.840 1.00 0.00 O ATOM 582 CB LYS A 84 41.120 7.728 36.532 1.00 0.00 C ATOM 0 H LYS A 84 39.999 7.742 38.701 1.00 0.00 H new ATOM 0 HA LYS A 84 40.440 9.736 36.897 1.00 0.00 H new ATOM 585 N GLY A 85 37.996 7.808 35.923 1.00 0.00 N ATOM 586 CA GLY A 85 36.883 7.704 35.000 1.00 0.00 C ATOM 587 C GLY A 85 36.209 9.067 34.927 1.00 0.00 C ATOM 588 O GLY A 85 36.353 9.778 33.934 1.00 0.00 O ATOM 0 H GLY A 85 37.979 7.125 36.680 1.00 0.00 H new ATOM 0 HA2 GLY A 85 37.232 7.397 34.014 1.00 0.00 H new ATOM 0 HA3 GLY A 85 36.176 6.946 35.338 1.00 0.00 H new ATOM 592 N LYS A 86 35.468 9.399 35.989 1.00 0.00 N ATOM 593 CA LYS A 86 34.789 10.679 36.099 1.00 0.00 C ATOM 594 C LYS A 86 35.709 11.830 35.693 1.00 0.00 C ATOM 595 O LYS A 86 35.300 12.707 34.935 1.00 0.00 O ATOM 596 CB LYS A 86 34.298 10.866 37.532 1.00 0.00 C ATOM 0 H LYS A 86 35.327 8.785 36.791 1.00 0.00 H new ATOM 0 HA LYS A 86 33.938 10.685 35.418 1.00 0.00 H new ATOM 599 N ALA A 87 36.948 11.818 36.197 1.00 0.00 N ATOM 600 CA ALA A 87 37.914 12.860 35.893 1.00 0.00 C ATOM 601 C ALA A 87 38.053 13.010 34.386 1.00 0.00 C ATOM 602 O ALA A 87 38.023 14.123 33.854 1.00 0.00 O ATOM 603 CB ALA A 87 39.257 12.506 36.526 1.00 0.00 C ATOM 0 H ALA A 87 37.299 11.091 36.820 1.00 0.00 H new ATOM 0 HA ALA A 87 37.572 13.810 36.303 1.00 0.00 H new ATOM 0 HB1 ALA A 87 39.983 13.287 36.299 1.00 0.00 H new ATOM 0 HB2 ALA A 87 39.139 12.423 37.606 1.00 0.00 H new ATOM 0 HB3 ALA A 87 39.609 11.555 36.125 1.00 0.00 H new ATOM 606 N MET A 88 38.191 11.870 33.707 1.00 0.00 N ATOM 607 CA MET A 88 38.320 11.828 32.270 1.00 0.00 C ATOM 608 C MET A 88 37.155 12.585 31.667 1.00 0.00 C ATOM 609 O MET A 88 37.357 13.428 30.798 1.00 0.00 O ATOM 610 CB MET A 88 38.331 10.376 31.800 1.00 0.00 C ATOM 0 H MET A 88 38.215 10.952 34.151 1.00 0.00 H new ATOM 0 HA MET A 88 39.254 12.291 31.952 1.00 0.00 H new ATOM 613 N HIS A 89 35.934 12.306 32.133 1.00 0.00 N ATOM 614 CA HIS A 89 34.750 12.987 31.653 1.00 0.00 C ATOM 615 C HIS A 89 34.820 14.480 31.952 1.00 0.00 C ATOM 616 O HIS A 89 34.317 15.276 31.167 1.00 0.00 O ATOM 617 CB HIS A 89 33.516 12.368 32.303 1.00 0.00 C ATOM 0 H HIS A 89 35.749 11.604 32.850 1.00 0.00 H new ATOM 0 HA HIS A 89 34.688 12.870 30.571 1.00 0.00 H new ATOM 620 N GLU A 90 35.410 14.864 33.089 1.00 0.00 N ATOM 621 CA GLU A 90 35.540 16.275 33.429 1.00 0.00 C ATOM 622 C GLU A 90 36.198 17.020 32.268 1.00 0.00 C ATOM 623 O GLU A 90 35.698 18.041 31.800 1.00 0.00 O ATOM 624 CB GLU A 90 36.367 16.417 34.703 1.00 0.00 C ATOM 0 H GLU A 90 35.799 14.222 33.779 1.00 0.00 H new ATOM 0 HA GLU A 90 34.555 16.707 33.605 1.00 0.00 H new ATOM 627 N ALA A 91 37.316 16.465 31.800 1.00 0.00 N ATOM 628 CA ALA A 91 38.035 17.051 30.672 1.00 0.00 C ATOM 629 C ALA A 91 37.289 16.772 29.360 1.00 0.00 C ATOM 630 O ALA A 91 37.240 17.604 28.460 1.00 0.00 O ATOM 631 CB ALA A 91 39.451 16.486 30.628 1.00 0.00 C ATOM 0 H ALA A 91 37.739 15.619 32.181 1.00 0.00 H new ATOM 0 HA ALA A 91 38.092 18.132 30.798 1.00 0.00 H new ATOM 0 HB1 ALA A 91 39.991 16.921 29.787 1.00 0.00 H new ATOM 0 HB2 ALA A 91 39.969 16.729 31.556 1.00 0.00 H new ATOM 0 HB3 ALA A 91 39.407 15.403 30.510 1.00 0.00 H new ATOM 634 N GLY A 92 36.719 15.573 29.295 1.00 0.00 N ATOM 635 CA GLY A 92 35.969 15.130 28.131 1.00 0.00 C ATOM 636 C GLY A 92 34.895 16.150 27.738 1.00 0.00 C ATOM 637 O GLY A 92 34.944 16.745 26.661 1.00 0.00 O ATOM 0 H GLY A 92 36.765 14.885 30.047 1.00 0.00 H new ATOM 0 HA2 GLY A 92 36.650 14.976 27.294 1.00 0.00 H new ATOM 0 HA3 GLY A 92 35.500 14.169 28.342 1.00 0.00 H new ATOM 641 N GLY A 93 33.926 16.339 28.634 1.00 0.00 N ATOM 642 CA GLY A 93 32.809 17.238 28.418 1.00 0.00 C ATOM 643 C GLY A 93 33.232 18.701 28.454 1.00 0.00 C ATOM 644 O GLY A 93 32.697 19.514 27.703 1.00 0.00 O ATOM 0 H GLY A 93 33.901 15.864 29.536 1.00 0.00 H new ATOM 0 HA2 GLY A 93 32.349 17.018 27.455 1.00 0.00 H new ATOM 0 HA3 GLY A 93 32.051 17.062 29.181 1.00 0.00 H new ATOM 648 N ALA A 94 34.190 19.046 29.318 1.00 0.00 N ATOM 649 CA ALA A 94 34.651 20.415 29.428 1.00 0.00 C ATOM 650 C ALA A 94 35.397 20.815 28.162 1.00 0.00 C ATOM 651 O ALA A 94 35.356 21.974 27.755 1.00 0.00 O ATOM 652 CB ALA A 94 35.554 20.548 30.651 1.00 0.00 C ATOM 0 H ALA A 94 34.655 18.391 29.947 1.00 0.00 H new ATOM 0 HA ALA A 94 33.796 21.081 29.546 1.00 0.00 H new ATOM 0 HB1 ALA A 94 35.902 21.577 30.736 1.00 0.00 H new ATOM 0 HB2 ALA A 94 34.995 20.279 31.547 1.00 0.00 H new ATOM 0 HB3 ALA A 94 36.411 19.883 30.545 1.00 0.00 H new ATOM 655 N VAL A 95 36.073 19.849 27.536 1.00 0.00 N ATOM 656 CA VAL A 95 36.840 20.095 26.331 1.00 0.00 C ATOM 657 C VAL A 95 35.931 20.289 25.128 1.00 0.00 C ATOM 658 O VAL A 95 36.135 21.219 24.352 1.00 0.00 O ATOM 659 CB VAL A 95 37.805 18.939 26.086 1.00 0.00 C ATOM 0 H VAL A 95 36.099 18.881 27.855 1.00 0.00 H new ATOM 0 HA VAL A 95 37.409 21.015 26.470 1.00 0.00 H new ATOM 662 N ILE A 96 34.927 19.424 24.960 1.00 0.00 N ATOM 663 CA ILE A 96 34.020 19.531 23.835 1.00 0.00 C ATOM 664 C ILE A 96 33.099 20.726 24.031 1.00 0.00 C ATOM 665 O ILE A 96 32.792 21.440 23.079 1.00 0.00 O ATOM 666 CB ILE A 96 33.213 18.242 23.712 1.00 0.00 C ATOM 0 H ILE A 96 34.730 18.647 25.591 1.00 0.00 H new ATOM 0 HA ILE A 96 34.587 19.680 22.916 1.00 0.00 H new ATOM 669 N ALA A 97 32.668 20.948 25.274 1.00 0.00 N ATOM 670 CA ALA A 97 31.785 22.053 25.589 1.00 0.00 C ATOM 671 C ALA A 97 32.450 23.365 25.195 1.00 0.00 C ATOM 672 O ALA A 97 31.882 24.149 24.438 1.00 0.00 O ATOM 673 CB ALA A 97 31.462 22.036 27.080 1.00 0.00 C ATOM 0 H ALA A 97 32.922 20.371 26.076 1.00 0.00 H new ATOM 0 HA ALA A 97 30.854 21.955 25.030 1.00 0.00 H new ATOM 0 HB1 ALA A 97 30.798 22.867 27.318 1.00 0.00 H new ATOM 0 HB2 ALA A 97 30.973 21.096 27.336 1.00 0.00 H new ATOM 0 HB3 ALA A 97 32.384 22.133 27.653 1.00 0.00 H new ATOM 676 N ALA A 98 33.658 23.596 25.711 1.00 0.00 N ATOM 677 CA ALA A 98 34.397 24.810 25.425 1.00 0.00 C ATOM 678 C ALA A 98 34.808 24.865 23.959 1.00 0.00 C ATOM 679 O ALA A 98 34.477 25.821 23.261 1.00 0.00 O ATOM 680 CB ALA A 98 35.624 24.876 26.331 1.00 0.00 C ATOM 0 H ALA A 98 34.142 22.948 26.333 1.00 0.00 H new ATOM 0 HA ALA A 98 33.757 25.671 25.620 1.00 0.00 H new ATOM 0 HB1 ALA A 98 36.184 25.787 26.120 1.00 0.00 H new ATOM 0 HB2 ALA A 98 35.307 24.878 27.374 1.00 0.00 H new ATOM 0 HB3 ALA A 98 36.259 24.010 26.147 1.00 0.00 H new ATOM 683 N ALA A 99 35.537 23.844 23.499 1.00 0.00 N ATOM 684 CA ALA A 99 36.013 23.780 22.129 1.00 0.00 C ATOM 685 C ALA A 99 34.886 24.006 21.129 1.00 0.00 C ATOM 686 O ALA A 99 35.021 24.822 20.220 1.00 0.00 O ATOM 687 CB ALA A 99 36.676 22.428 21.887 1.00 0.00 C ATOM 0 H ALA A 99 35.809 23.044 24.070 1.00 0.00 H new ATOM 0 HA ALA A 99 36.741 24.578 21.981 1.00 0.00 H new ATOM 0 HB1 ALA A 99 37.034 22.377 20.859 1.00 0.00 H new ATOM 0 HB2 ALA A 99 37.516 22.307 22.571 1.00 0.00 H new ATOM 0 HB3 ALA A 99 35.952 21.632 22.058 1.00 0.00 H new ATOM 690 N ASN A 100 33.775 23.285 21.292 1.00 0.00 N ATOM 691 CA ASN A 100 32.648 23.412 20.389 1.00 0.00 C ATOM 692 C ASN A 100 32.049 24.807 20.499 1.00 0.00 C ATOM 693 O ASN A 100 31.865 25.487 19.493 1.00 0.00 O ATOM 694 CB ASN A 100 31.604 22.349 20.717 1.00 0.00 C ATOM 0 H ASN A 100 33.639 22.609 22.044 1.00 0.00 H new ATOM 0 HA ASN A 100 32.986 23.263 19.364 1.00 0.00 H new ATOM 697 N ALA A 101 31.747 25.232 21.728 1.00 0.00 N ATOM 698 CA ALA A 101 31.164 26.538 21.961 1.00 0.00 C ATOM 699 C ALA A 101 32.169 27.642 21.652 1.00 0.00 C ATOM 700 O ALA A 101 31.945 28.793 22.021 1.00 0.00 O ATOM 701 CB ALA A 101 30.691 26.630 23.409 1.00 0.00 C ATOM 0 H ALA A 101 31.900 24.683 22.574 1.00 0.00 H new ATOM 0 HA ALA A 101 30.310 26.671 21.296 1.00 0.00 H new ATOM 0 HB1 ALA A 101 30.252 27.612 23.587 1.00 0.00 H new ATOM 0 HB2 ALA A 101 29.944 25.859 23.597 1.00 0.00 H new ATOM 0 HB3 ALA A 101 31.539 26.485 24.079 1.00 0.00 H new ATOM 704 N GLY A 102 33.275 27.291 20.987 1.00 0.00 N ATOM 705 CA GLY A 102 34.305 28.250 20.631 1.00 0.00 C ATOM 706 C GLY A 102 35.270 28.420 21.796 1.00 0.00 C ATOM 707 O GLY A 102 34.958 29.109 22.765 1.00 0.00 O ATOM 0 H GLY A 102 33.473 26.337 20.685 1.00 0.00 H new ATOM 0 HA2 GLY A 102 34.843 27.909 19.747 1.00 0.00 H new ATOM 0 HA3 GLY A 102 33.852 29.209 20.378 1.00 0.00 H new ATOM 711 N ASP A 103 36.446 27.795 21.691 1.00 0.00 N ATOM 712 CA ASP A 103 37.459 27.859 22.726 1.00 0.00 C ATOM 713 C ASP A 103 38.570 26.874 22.386 1.00 0.00 C ATOM 714 O ASP A 103 38.749 25.877 23.080 1.00 0.00 O ATOM 715 CB ASP A 103 36.838 27.517 24.077 1.00 0.00 C ATOM 0 H ASP A 103 36.714 27.233 20.883 1.00 0.00 H new ATOM 0 HA ASP A 103 37.873 28.866 22.783 1.00 0.00 H new ATOM 718 N GLY A 104 39.312 27.155 21.313 1.00 0.00 N ATOM 719 CA GLY A 104 40.390 26.291 20.872 1.00 0.00 C ATOM 720 C GLY A 104 41.428 26.090 21.969 1.00 0.00 C ATOM 721 O GLY A 104 42.090 25.053 22.014 1.00 0.00 O ATOM 0 H GLY A 104 39.178 27.984 20.734 1.00 0.00 H new ATOM 0 HA2 GLY A 104 39.984 25.325 20.572 1.00 0.00 H new ATOM 0 HA3 GLY A 104 40.867 26.723 19.992 1.00 0.00 H new ATOM 725 N ALA A 105 41.555 27.071 22.868 1.00 0.00 N ATOM 726 CA ALA A 105 42.507 27.008 23.959 1.00 0.00 C ATOM 727 C ALA A 105 41.882 26.149 25.046 1.00 0.00 C ATOM 728 O ALA A 105 42.575 25.435 25.767 1.00 0.00 O ATOM 729 CB ALA A 105 42.788 28.417 24.472 1.00 0.00 C ATOM 0 H ALA A 105 40.998 27.925 22.852 1.00 0.00 H new ATOM 0 HA ALA A 105 43.455 26.577 23.639 1.00 0.00 H new ATOM 0 HB1 ALA A 105 43.504 28.369 25.293 1.00 0.00 H new ATOM 0 HB2 ALA A 105 43.201 29.022 23.665 1.00 0.00 H new ATOM 0 HB3 ALA A 105 41.860 28.867 24.826 1.00 0.00 H new ATOM 732 N ALA A 106 40.553 26.228 25.142 1.00 0.00 N ATOM 733 CA ALA A 106 39.803 25.463 26.112 1.00 0.00 C ATOM 734 C ALA A 106 39.833 24.007 25.680 1.00 0.00 C ATOM 735 O ALA A 106 39.852 23.108 26.518 1.00 0.00 O ATOM 736 CB ALA A 106 38.371 25.986 26.177 1.00 0.00 C ATOM 0 H ALA A 106 39.978 26.825 24.547 1.00 0.00 H new ATOM 0 HA ALA A 106 40.239 25.557 27.107 1.00 0.00 H new ATOM 0 HB1 ALA A 106 37.806 25.409 26.909 1.00 0.00 H new ATOM 0 HB2 ALA A 106 38.380 27.035 26.471 1.00 0.00 H new ATOM 0 HB3 ALA A 106 37.903 25.888 25.197 1.00 0.00 H new ATOM 739 N PHE A 107 39.852 23.777 24.364 1.00 0.00 N ATOM 740 CA PHE A 107 39.899 22.440 23.815 1.00 0.00 C ATOM 741 C PHE A 107 41.224 21.801 24.193 1.00 0.00 C ATOM 742 O PHE A 107 41.246 20.828 24.937 1.00 0.00 O ATOM 743 CB PHE A 107 39.737 22.504 22.299 1.00 0.00 C ATOM 0 H PHE A 107 39.835 24.516 23.661 1.00 0.00 H new ATOM 0 HA PHE A 107 39.087 21.836 24.219 1.00 0.00 H new ATOM 746 N GLY A 108 42.333 22.327 23.669 1.00 0.00 N ATOM 747 CA GLY A 108 43.643 21.787 23.985 1.00 0.00 C ATOM 748 C GLY A 108 43.882 21.708 25.492 1.00 0.00 C ATOM 749 O GLY A 108 44.423 20.721 25.985 1.00 0.00 O ATOM 0 H GLY A 108 42.344 23.121 23.029 1.00 0.00 H new ATOM 0 HA2 GLY A 108 43.739 20.792 23.550 1.00 0.00 H new ATOM 0 HA3 GLY A 108 44.412 22.410 23.528 1.00 0.00 H new ATOM 753 N ALA A 109 43.454 22.737 26.227 1.00 0.00 N ATOM 754 CA ALA A 109 43.670 22.795 27.663 1.00 0.00 C ATOM 755 C ALA A 109 42.838 21.750 28.398 1.00 0.00 C ATOM 756 O ALA A 109 43.380 20.893 29.094 1.00 0.00 O ATOM 757 CB ALA A 109 43.333 24.196 28.165 1.00 0.00 C ATOM 0 H ALA A 109 42.955 23.540 25.844 1.00 0.00 H new ATOM 0 HA ALA A 109 44.718 22.574 27.866 1.00 0.00 H new ATOM 0 HB1 ALA A 109 43.493 24.245 29.242 1.00 0.00 H new ATOM 0 HB2 ALA A 109 43.975 24.924 27.669 1.00 0.00 H new ATOM 0 HB3 ALA A 109 42.290 24.421 27.943 1.00 0.00 H new ATOM 760 N ALA A 110 41.517 21.832 28.243 1.00 0.00 N ATOM 761 CA ALA A 110 40.615 20.909 28.906 1.00 0.00 C ATOM 762 C ALA A 110 40.927 19.481 28.476 1.00 0.00 C ATOM 763 O ALA A 110 41.065 18.584 29.308 1.00 0.00 O ATOM 764 CB ALA A 110 39.174 21.276 28.568 1.00 0.00 C ATOM 0 H ALA A 110 41.054 22.531 27.662 1.00 0.00 H new ATOM 0 HA ALA A 110 40.748 20.977 29.986 1.00 0.00 H new ATOM 0 HB1 ALA A 110 38.496 20.583 29.066 1.00 0.00 H new ATOM 0 HB2 ALA A 110 38.968 22.291 28.907 1.00 0.00 H new ATOM 0 HB3 ALA A 110 39.027 21.216 27.490 1.00 0.00 H new ATOM 767 N LEU A 111 41.051 19.274 27.164 1.00 0.00 N ATOM 768 CA LEU A 111 41.335 17.974 26.601 1.00 0.00 C ATOM 769 C LEU A 111 42.716 17.493 27.013 1.00 0.00 C ATOM 770 O LEU A 111 42.965 16.289 27.001 1.00 0.00 O ATOM 771 CB LEU A 111 41.218 18.038 25.081 1.00 0.00 C ATOM 0 H LEU A 111 40.955 20.013 26.468 1.00 0.00 H new ATOM 0 HA LEU A 111 40.608 17.259 26.985 1.00 0.00 H new ATOM 774 N GLN A 112 43.623 18.402 27.386 1.00 0.00 N ATOM 775 CA GLN A 112 44.947 18.016 27.823 1.00 0.00 C ATOM 776 C GLN A 112 44.790 17.433 29.213 1.00 0.00 C ATOM 777 O GLN A 112 45.492 16.495 29.578 1.00 0.00 O ATOM 778 CB GLN A 112 45.867 19.234 27.849 1.00 0.00 C ATOM 0 H GLN A 112 43.454 19.408 27.390 1.00 0.00 H new ATOM 0 HA GLN A 112 45.393 17.288 27.146 1.00 0.00 H new ATOM 781 N LYS A 113 43.850 17.983 29.986 1.00 0.00 N ATOM 782 CA LYS A 113 43.569 17.475 31.311 1.00 0.00 C ATOM 783 C LYS A 113 43.129 16.032 31.129 1.00 0.00 C ATOM 784 O LYS A 113 43.574 15.137 31.847 1.00 0.00 O ATOM 785 CB LYS A 113 42.468 18.309 31.959 1.00 0.00 C ATOM 0 H LYS A 113 43.276 18.779 29.708 1.00 0.00 H new ATOM 0 HA LYS A 113 44.441 17.530 31.963 1.00 0.00 H new ATOM 788 N LEU A 114 42.271 15.810 30.130 1.00 0.00 N ATOM 789 CA LEU A 114 41.796 14.479 29.811 1.00 0.00 C ATOM 790 C LEU A 114 42.973 13.673 29.279 1.00 0.00 C ATOM 791 O LEU A 114 43.011 12.452 29.419 1.00 0.00 O ATOM 792 CB LEU A 114 40.697 14.567 28.757 1.00 0.00 C ATOM 0 H LEU A 114 41.895 16.545 29.531 1.00 0.00 H new ATOM 0 HA LEU A 114 41.385 13.996 30.697 1.00 0.00 H new ATOM 795 N GLY A 115 43.939 14.370 28.674 1.00 0.00 N ATOM 796 CA GLY A 115 45.114 13.737 28.112 1.00 0.00 C ATOM 797 C GLY A 115 45.990 13.139 29.204 1.00 0.00 C ATOM 798 O GLY A 115 46.302 11.952 29.165 1.00 0.00 O ATOM 0 H GLY A 115 43.920 15.384 28.565 1.00 0.00 H new ATOM 0 HA2 GLY A 115 44.812 12.955 27.415 1.00 0.00 H new ATOM 0 HA3 GLY A 115 45.687 14.468 27.542 1.00 0.00 H new ATOM 802 N GLY A 116 46.391 13.959 30.180 1.00 0.00 N ATOM 803 CA GLY A 116 47.242 13.517 31.264 1.00 0.00 C ATOM 804 C GLY A 116 46.485 12.584 32.194 1.00 0.00 C ATOM 805 O GLY A 116 47.099 11.819 32.934 1.00 0.00 O ATOM 0 H GLY A 116 46.130 14.944 30.232 1.00 0.00 H new ATOM 0 HA2 GLY A 116 48.117 13.006 30.861 1.00 0.00 H new ATOM 0 HA3 GLY A 116 47.605 14.379 31.823 1.00 0.00 H new ATOM 809 N THR A 117 45.152 12.635 32.156 1.00 0.00 N ATOM 810 CA THR A 117 44.345 11.771 32.992 1.00 0.00 C ATOM 811 C THR A 117 44.457 10.349 32.458 1.00 0.00 C ATOM 812 O THR A 117 44.921 9.450 33.158 1.00 0.00 O ATOM 813 CB THR A 117 42.896 12.249 32.975 1.00 0.00 C ATOM 0 H THR A 117 44.619 13.265 31.556 1.00 0.00 H new ATOM 0 HA THR A 117 44.695 11.797 34.024 1.00 0.00 H new ATOM 816 N CYS A 118 44.042 10.158 31.204 1.00 0.00 N ATOM 817 CA CYS A 118 44.099 8.860 30.563 1.00 0.00 C ATOM 818 C CYS A 118 45.550 8.420 30.427 1.00 0.00 C ATOM 819 O CYS A 118 45.882 7.281 30.746 1.00 0.00 O ATOM 820 CB CYS A 118 43.429 8.941 29.195 1.00 0.00 C ATOM 0 H CYS A 118 43.661 10.898 30.615 1.00 0.00 H new ATOM 0 HA CYS A 118 43.570 8.124 31.169 1.00 0.00 H new ATOM 823 N LYS A 119 46.411 9.326 29.952 1.00 0.00 N ATOM 824 CA LYS A 119 47.821 9.036 29.777 1.00 0.00 C ATOM 825 C LYS A 119 48.413 8.500 31.072 1.00 0.00 C ATOM 826 O LYS A 119 48.946 7.397 31.086 1.00 0.00 O ATOM 827 CB LYS A 119 48.553 10.300 29.334 1.00 0.00 C ATOM 0 H LYS A 119 46.143 10.273 29.682 1.00 0.00 H new ATOM 0 HA LYS A 119 47.938 8.273 29.007 1.00 0.00 H new ATOM 830 N ALA A 120 48.338 9.298 32.141 1.00 0.00 N ATOM 831 CA ALA A 120 48.852 8.904 33.443 1.00 0.00 C ATOM 832 C ALA A 120 48.434 7.483 33.812 1.00 0.00 C ATOM 833 O ALA A 120 49.285 6.613 33.990 1.00 0.00 O ATOM 834 CB ALA A 120 48.371 9.891 34.502 1.00 0.00 C ATOM 0 H ALA A 120 47.921 10.229 32.122 1.00 0.00 H new ATOM 0 HA ALA A 120 49.941 8.919 33.396 1.00 0.00 H new ATOM 0 HB1 ALA A 120 48.757 9.595 35.477 1.00 0.00 H new ATOM 0 HB2 ALA A 120 48.731 10.891 34.258 1.00 0.00 H new ATOM 0 HB3 ALA A 120 47.281 9.894 34.528 1.00 0.00 H new ATOM 837 N CYS A 121 47.125 7.243 33.915 1.00 0.00 N ATOM 838 CA CYS A 121 46.610 5.937 34.281 1.00 0.00 C ATOM 839 C CYS A 121 47.030 4.853 33.293 1.00 0.00 C ATOM 840 O CYS A 121 47.702 3.896 33.671 1.00 0.00 O ATOM 841 CB CYS A 121 45.088 6.007 34.377 1.00 0.00 C ATOM 0 H CYS A 121 46.405 7.946 33.747 1.00 0.00 H new ATOM 0 HA CYS A 121 47.034 5.665 35.248 1.00 0.00 H new ATOM 844 N HIS A 122 46.624 4.997 32.029 1.00 0.00 N ATOM 845 CA HIS A 122 46.922 4.017 30.999 1.00 0.00 C ATOM 846 C HIS A 122 48.412 3.706 30.923 1.00 0.00 C ATOM 847 O HIS A 122 48.807 2.548 31.034 1.00 0.00 O ATOM 848 CB HIS A 122 46.422 4.536 29.655 1.00 0.00 C ATOM 0 H HIS A 122 46.082 5.795 31.699 1.00 0.00 H new ATOM 0 HA HIS A 122 46.412 3.088 31.254 1.00 0.00 H new ATOM 851 N ASP A 123 49.225 4.745 30.711 1.00 0.00 N ATOM 852 CA ASP A 123 50.667 4.615 30.595 1.00 0.00 C ATOM 853 C ASP A 123 51.252 3.766 31.713 1.00 0.00 C ATOM 854 O ASP A 123 52.021 2.846 31.442 1.00 0.00 O ATOM 855 CB ASP A 123 51.307 6.000 30.588 1.00 0.00 C ATOM 0 H ASP A 123 48.891 5.704 30.615 1.00 0.00 H new ATOM 0 HA ASP A 123 50.886 4.106 29.656 1.00 0.00 H new ATOM 858 N ASP A 124 50.899 4.059 32.968 1.00 0.00 N ATOM 859 CA ASP A 124 51.405 3.295 34.091 1.00 0.00 C ATOM 860 C ASP A 124 51.018 1.837 33.900 1.00 0.00 C ATOM 861 O ASP A 124 51.815 0.937 34.160 1.00 0.00 O ATOM 862 CB ASP A 124 50.820 3.848 35.387 1.00 0.00 C ATOM 0 H ASP A 124 50.267 4.818 33.222 1.00 0.00 H new ATOM 0 HA ASP A 124 52.491 3.371 34.147 1.00 0.00 H new ATOM 865 N TYR A 125 49.790 1.611 33.430 1.00 0.00 N ATOM 866 CA TYR A 125 49.290 0.274 33.186 1.00 0.00 C ATOM 867 C TYR A 125 50.146 -0.406 32.127 1.00 0.00 C ATOM 868 O TYR A 125 49.636 -0.830 31.092 1.00 0.00 O ATOM 869 CB TYR A 125 47.838 0.360 32.728 1.00 0.00 C ATOM 0 H TYR A 125 49.124 2.352 33.211 1.00 0.00 H new ATOM 0 HA TYR A 125 49.339 -0.315 34.102 1.00 0.00 H new ATOM 872 N ARG A 126 51.451 -0.504 32.385 1.00 0.00 N ATOM 873 CA ARG A 126 52.369 -1.129 31.453 1.00 0.00 C ATOM 874 C ARG A 126 53.766 -1.159 32.054 1.00 0.00 C ATOM 875 O ARG A 126 54.398 -2.212 32.107 1.00 0.00 O ATOM 876 CB ARG A 126 52.363 -0.354 30.139 1.00 0.00 C ATOM 0 H ARG A 126 51.890 -0.155 33.237 1.00 0.00 H new ATOM 0 HA ARG A 126 52.055 -2.154 31.256 1.00 0.00 H new ATOM 879 N GLU A 127 54.245 0.000 32.511 1.00 0.00 N ATOM 880 CA GLU A 127 55.562 0.103 33.107 1.00 0.00 C ATOM 881 C GLU A 127 55.664 1.390 33.914 1.00 0.00 C ATOM 882 O GLU A 127 54.728 2.185 33.940 1.00 0.00 O ATOM 883 CB GLU A 127 56.621 0.068 32.009 1.00 0.00 C ATOM 0 H GLU A 127 53.731 0.880 32.475 1.00 0.00 H new ATOM 0 HA GLU A 127 55.727 -0.738 33.780 1.00 0.00 H new ATOM 886 N GLU A 128 56.806 1.590 34.576 1.00 0.00 N ATOM 887 CA GLU A 128 57.028 2.774 35.381 1.00 0.00 C ATOM 888 C GLU A 128 58.366 2.664 36.099 1.00 0.00 C ATOM 889 O GLU A 128 59.241 3.507 35.918 1.00 0.00 O ATOM 890 CB GLU A 128 55.887 2.927 36.384 1.00 0.00 C ATOM 0 H GLU A 128 57.590 0.938 34.564 1.00 0.00 H new ATOM 0 HA GLU A 128 57.052 3.656 34.741 1.00 0.00 H new ATOM 893 N ASP A 129 58.522 1.618 36.914 1.00 0.00 N ATOM 894 CA ASP A 129 59.750 1.401 37.653 1.00 0.00 C ATOM 895 C ASP A 129 60.830 0.880 36.716 1.00 0.00 C ATOM 896 O ASP A 129 61.237 -0.285 36.911 1.00 0.00 O ATOM 897 CB ASP A 129 59.492 0.411 38.786 1.00 0.00 C ATOM 0 H ASP A 129 57.805 0.910 37.073 1.00 0.00 H new ATOM 0 HA ASP A 129 60.093 2.342 38.082 1.00 0.00 H new TER 900 ASP A 129 HETATM 901 FE HEM A 130 42.735 4.215 29.026 1.00 0.00 FE