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 45.061 -15.367 21.446 1.00 0.00 N ATOM 2 CA ALA A 1 45.136 -16.346 22.512 1.00 0.00 C ATOM 3 C ALA A 1 43.822 -16.352 23.281 1.00 0.00 C ATOM 4 O ALA A 1 43.154 -17.380 23.363 1.00 0.00 O ATOM 5 CB ALA A 1 45.421 -17.720 21.914 1.00 0.00 C ATOM 0 H1 ALA A 1 45.957 -15.360 20.918 1.00 0.00 H new ATOM 0 H2 ALA A 1 44.282 -15.613 20.803 1.00 0.00 H new ATOM 0 H3 ALA A 1 44.890 -14.425 21.851 1.00 0.00 H new ATOM 0 HA ALA A 1 45.942 -16.092 23.201 1.00 0.00 H new ATOM 0 HB1 ALA A 1 45.478 -18.460 22.713 1.00 0.00 H new ATOM 0 HB2 ALA A 1 44.620 -17.990 21.226 1.00 0.00 H new ATOM 0 HB3 ALA A 1 46.368 -17.693 21.376 1.00 0.00 H new ATOM 7 N ASP A 2 43.455 -15.199 23.846 1.00 0.00 N ATOM 8 CA ASP A 2 42.226 -15.075 24.604 1.00 0.00 C ATOM 9 C ASP A 2 41.857 -13.606 24.750 1.00 0.00 C ATOM 10 O ASP A 2 41.613 -13.132 25.858 1.00 0.00 O ATOM 11 CB ASP A 2 42.404 -15.728 25.972 1.00 0.00 C ATOM 0 H ASP A 2 44.000 -14.339 23.787 1.00 0.00 H new ATOM 0 HA ASP A 2 41.417 -15.582 24.078 1.00 0.00 H new ATOM 14 N THR A 3 41.820 -12.885 23.628 1.00 0.00 N ATOM 15 CA THR A 3 41.481 -11.476 23.632 1.00 0.00 C ATOM 16 C THR A 3 40.126 -11.273 24.295 1.00 0.00 C ATOM 17 O THR A 3 39.943 -10.329 25.060 1.00 0.00 O ATOM 18 CB THR A 3 41.463 -10.956 22.197 1.00 0.00 C ATOM 0 H THR A 3 42.023 -13.264 22.703 1.00 0.00 H new ATOM 0 HA THR A 3 42.227 -10.919 24.199 1.00 0.00 H new ATOM 21 N LYS A 4 39.180 -12.169 24.001 1.00 0.00 N ATOM 22 CA LYS A 4 37.845 -12.097 24.563 1.00 0.00 C ATOM 23 C LYS A 4 37.084 -10.925 23.959 1.00 0.00 C ATOM 24 O LYS A 4 37.687 -10.010 23.403 1.00 0.00 O ATOM 25 CB LYS A 4 37.928 -11.972 26.082 1.00 0.00 C ATOM 0 H LYS A 4 39.325 -12.957 23.370 1.00 0.00 H new ATOM 0 HA LYS A 4 37.303 -13.012 24.323 1.00 0.00 H new ATOM 28 N GLU A 5 35.753 -10.963 24.065 1.00 0.00 N ATOM 29 CA GLU A 5 34.902 -9.921 23.526 1.00 0.00 C ATOM 30 C GLU A 5 34.895 -8.708 24.447 1.00 0.00 C ATOM 31 O GLU A 5 34.913 -7.572 23.980 1.00 0.00 O ATOM 32 CB GLU A 5 33.488 -10.467 23.353 1.00 0.00 C ATOM 0 H GLU A 5 35.245 -11.718 24.527 1.00 0.00 H new ATOM 0 HA GLU A 5 35.289 -9.606 22.557 1.00 0.00 H new ATOM 35 N VAL A 6 34.874 -8.951 25.760 1.00 0.00 N ATOM 36 CA VAL A 6 34.852 -7.882 26.739 1.00 0.00 C ATOM 37 C VAL A 6 36.095 -7.014 26.606 1.00 0.00 C ATOM 38 O VAL A 6 36.003 -5.789 26.642 1.00 0.00 O ATOM 39 CB VAL A 6 34.758 -8.480 28.140 1.00 0.00 C ATOM 0 H VAL A 6 34.872 -9.888 26.163 1.00 0.00 H new ATOM 0 HA VAL A 6 33.981 -7.250 26.563 1.00 0.00 H new ATOM 42 N LEU A 7 37.259 -7.647 26.445 1.00 0.00 N ATOM 43 CA LEU A 7 38.505 -6.921 26.307 1.00 0.00 C ATOM 44 C LEU A 7 38.528 -6.205 24.965 1.00 0.00 C ATOM 45 O LEU A 7 38.778 -5.004 24.909 1.00 0.00 O ATOM 46 CB LEU A 7 39.674 -7.894 26.421 1.00 0.00 C ATOM 0 H LEU A 7 37.356 -8.662 26.408 1.00 0.00 H new ATOM 0 HA LEU A 7 38.592 -6.177 27.099 1.00 0.00 H new ATOM 49 N GLU A 8 38.271 -6.960 23.893 1.00 0.00 N ATOM 50 CA GLU A 8 38.252 -6.425 22.542 1.00 0.00 C ATOM 51 C GLU A 8 37.391 -5.169 22.457 1.00 0.00 C ATOM 52 O GLU A 8 37.813 -4.159 21.895 1.00 0.00 O ATOM 53 CB GLU A 8 37.740 -7.495 21.583 1.00 0.00 C ATOM 0 H GLU A 8 38.071 -7.959 23.945 1.00 0.00 H new ATOM 0 HA GLU A 8 39.267 -6.143 22.261 1.00 0.00 H new ATOM 56 N ALA A 9 36.184 -5.221 23.026 1.00 0.00 N ATOM 57 CA ALA A 9 35.294 -4.082 23.012 1.00 0.00 C ATOM 58 C ALA A 9 36.004 -2.954 23.733 1.00 0.00 C ATOM 59 O ALA A 9 36.010 -1.816 23.268 1.00 0.00 O ATOM 60 CB ALA A 9 33.982 -4.442 23.704 1.00 0.00 C ATOM 0 H ALA A 9 35.811 -6.044 23.499 1.00 0.00 H new ATOM 0 HA ALA A 9 35.050 -3.779 21.994 1.00 0.00 H new ATOM 0 HB1 ALA A 9 33.315 -3.580 23.691 1.00 0.00 H new ATOM 0 HB2 ALA A 9 33.511 -5.274 23.180 1.00 0.00 H new ATOM 0 HB3 ALA A 9 34.182 -4.730 24.736 1.00 0.00 H new ATOM 63 N ARG A 10 36.624 -3.282 24.868 1.00 0.00 N ATOM 64 CA ARG A 10 37.373 -2.309 25.632 1.00 0.00 C ATOM 65 C ARG A 10 38.476 -1.741 24.750 1.00 0.00 C ATOM 66 O ARG A 10 38.854 -0.580 24.896 1.00 0.00 O ATOM 67 CB ARG A 10 37.959 -2.979 26.872 1.00 0.00 C ATOM 0 H ARG A 10 36.616 -4.219 25.271 1.00 0.00 H new ATOM 0 HA ARG A 10 36.723 -1.496 25.957 1.00 0.00 H new ATOM 70 N GLU A 11 38.980 -2.551 23.813 1.00 0.00 N ATOM 71 CA GLU A 11 40.026 -2.102 22.920 1.00 0.00 C ATOM 72 C GLU A 11 39.455 -0.972 22.081 1.00 0.00 C ATOM 73 O GLU A 11 40.135 0.010 21.792 1.00 0.00 O ATOM 74 CB GLU A 11 40.480 -3.262 22.038 1.00 0.00 C ATOM 0 H GLU A 11 38.676 -3.513 23.662 1.00 0.00 H new ATOM 0 HA GLU A 11 40.894 -1.748 23.476 1.00 0.00 H new ATOM 77 N ALA A 12 38.183 -1.121 21.709 1.00 0.00 N ATOM 78 CA ALA A 12 37.485 -0.130 20.910 1.00 0.00 C ATOM 79 C ALA A 12 37.309 1.143 21.728 1.00 0.00 C ATOM 80 O ALA A 12 37.536 2.244 21.230 1.00 0.00 O ATOM 81 CB ALA A 12 36.127 -0.688 20.496 1.00 0.00 C ATOM 0 H ALA A 12 37.615 -1.931 21.955 1.00 0.00 H new ATOM 0 HA ALA A 12 38.061 0.103 20.015 1.00 0.00 H new ATOM 0 HB1 ALA A 12 35.597 0.052 19.895 1.00 0.00 H new ATOM 0 HB2 ALA A 12 36.270 -1.596 19.910 1.00 0.00 H new ATOM 0 HB3 ALA A 12 35.542 -0.919 21.386 1.00 0.00 H new ATOM 84 N TYR A 13 36.909 0.982 22.992 1.00 0.00 N ATOM 85 CA TYR A 13 36.700 2.107 23.883 1.00 0.00 C ATOM 86 C TYR A 13 37.992 2.899 24.021 1.00 0.00 C ATOM 87 O TYR A 13 37.964 4.113 24.224 1.00 0.00 O ATOM 88 CB TYR A 13 36.236 1.594 25.243 1.00 0.00 C ATOM 0 H TYR A 13 36.724 0.073 23.416 1.00 0.00 H new ATOM 0 HA TYR A 13 35.933 2.765 23.474 1.00 0.00 H new ATOM 91 N PHE A 14 39.129 2.212 23.886 1.00 0.00 N ATOM 92 CA PHE A 14 40.425 2.851 23.995 1.00 0.00 C ATOM 93 C PHE A 14 40.660 3.706 22.759 1.00 0.00 C ATOM 94 O PHE A 14 41.086 4.853 22.865 1.00 0.00 O ATOM 95 CB PHE A 14 41.508 1.784 24.131 1.00 0.00 C ATOM 0 H PHE A 14 39.169 1.210 23.700 1.00 0.00 H new ATOM 0 HA PHE A 14 40.459 3.490 24.878 1.00 0.00 H new ATOM 98 N LYS A 15 40.370 3.143 21.584 1.00 0.00 N ATOM 99 CA LYS A 15 40.537 3.851 20.331 1.00 0.00 C ATOM 100 C LYS A 15 39.662 5.097 20.331 1.00 0.00 C ATOM 101 O LYS A 15 40.037 6.121 19.765 1.00 0.00 O ATOM 102 CB LYS A 15 40.165 2.929 19.175 1.00 0.00 C ATOM 0 H LYS A 15 40.016 2.192 21.483 1.00 0.00 H new ATOM 0 HA LYS A 15 41.576 4.157 20.212 1.00 0.00 H new ATOM 105 N SER A 16 38.495 5.005 20.972 1.00 0.00 N ATOM 106 CA SER A 16 37.571 6.120 21.047 1.00 0.00 C ATOM 107 C SER A 16 38.212 7.274 21.805 1.00 0.00 C ATOM 108 O SER A 16 38.475 8.329 21.229 1.00 0.00 O ATOM 109 CB SER A 16 36.284 5.669 21.731 1.00 0.00 C ATOM 0 H SER A 16 38.173 4.161 21.447 1.00 0.00 H new ATOM 0 HA SER A 16 37.330 6.464 20.041 1.00 0.00 H new ATOM 112 N LEU A 17 38.459 7.077 23.103 1.00 0.00 N ATOM 113 CA LEU A 17 39.068 8.105 23.924 1.00 0.00 C ATOM 114 C LEU A 17 40.401 8.512 23.311 1.00 0.00 C ATOM 115 O LEU A 17 40.801 9.673 23.384 1.00 0.00 O ATOM 116 CB LEU A 17 39.265 7.572 25.341 1.00 0.00 C ATOM 0 H LEU A 17 38.244 6.213 23.600 1.00 0.00 H new ATOM 0 HA LEU A 17 38.421 8.981 23.969 1.00 0.00 H new ATOM 119 N GLY A 18 41.080 7.547 22.688 1.00 0.00 N ATOM 120 CA GLY A 18 42.364 7.787 22.066 1.00 0.00 C ATOM 121 C GLY A 18 42.205 8.633 20.810 1.00 0.00 C ATOM 122 O GLY A 18 43.135 9.334 20.414 1.00 0.00 O ATOM 0 H GLY A 18 40.750 6.586 22.606 1.00 0.00 H new ATOM 0 HA2 GLY A 18 43.025 8.293 22.770 1.00 0.00 H new ATOM 0 HA3 GLY A 18 42.834 6.837 21.813 1.00 0.00 H new ATOM 126 N GLY A 19 41.020 8.598 20.191 1.00 0.00 N ATOM 127 CA GLY A 19 40.770 9.358 18.985 1.00 0.00 C ATOM 128 C GLY A 19 40.569 10.814 19.368 1.00 0.00 C ATOM 129 O GLY A 19 41.046 11.713 18.679 1.00 0.00 O ATOM 0 H GLY A 19 40.225 8.047 20.514 1.00 0.00 H new ATOM 0 HA2 GLY A 19 41.608 9.260 18.295 1.00 0.00 H new ATOM 0 HA3 GLY A 19 39.888 8.976 18.472 1.00 0.00 H new ATOM 133 N SER A 20 39.874 11.043 20.484 1.00 0.00 N ATOM 134 CA SER A 20 39.651 12.389 20.972 1.00 0.00 C ATOM 135 C SER A 20 41.017 13.024 21.218 1.00 0.00 C ATOM 136 O SER A 20 41.285 14.120 20.733 1.00 0.00 O ATOM 137 CB SER A 20 38.839 12.333 22.263 1.00 0.00 C ATOM 0 H SER A 20 39.460 10.310 21.060 1.00 0.00 H new ATOM 0 HA SER A 20 39.093 12.983 20.248 1.00 0.00 H new ATOM 140 N MET A 21 41.888 12.329 21.964 1.00 0.00 N ATOM 141 CA MET A 21 43.225 12.800 22.271 1.00 0.00 C ATOM 142 C MET A 21 43.995 13.224 21.022 1.00 0.00 C ATOM 143 O MET A 21 44.560 14.313 20.982 1.00 0.00 O ATOM 144 CB MET A 21 43.982 11.690 22.993 1.00 0.00 C ATOM 0 H MET A 21 41.672 11.418 22.369 1.00 0.00 H new ATOM 0 HA MET A 21 43.135 13.683 22.904 1.00 0.00 H new ATOM 147 N LYS A 22 44.026 12.352 20.010 1.00 0.00 N ATOM 148 CA LYS A 22 44.751 12.622 18.777 1.00 0.00 C ATOM 149 C LYS A 22 44.185 13.854 18.081 1.00 0.00 C ATOM 150 O LYS A 22 44.900 14.824 17.838 1.00 0.00 O ATOM 151 CB LYS A 22 44.666 11.401 17.866 1.00 0.00 C ATOM 0 H LYS A 22 43.552 11.449 20.027 1.00 0.00 H new ATOM 0 HA LYS A 22 45.797 12.822 19.011 1.00 0.00 H new ATOM 154 N ALA A 23 42.892 13.799 17.763 1.00 0.00 N ATOM 155 CA ALA A 23 42.227 14.920 17.120 1.00 0.00 C ATOM 156 C ALA A 23 42.400 16.163 17.995 1.00 0.00 C ATOM 157 O ALA A 23 42.281 17.292 17.522 1.00 0.00 O ATOM 158 CB ALA A 23 40.749 14.592 16.925 1.00 0.00 C ATOM 0 H ALA A 23 42.292 12.994 17.941 1.00 0.00 H new ATOM 0 HA ALA A 23 42.666 15.112 16.141 1.00 0.00 H new ATOM 0 HB1 ALA A 23 40.250 15.433 16.443 1.00 0.00 H new ATOM 0 HB2 ALA A 23 40.653 13.705 16.299 1.00 0.00 H new ATOM 0 HB3 ALA A 23 40.287 14.404 17.894 1.00 0.00 H new ATOM 161 N MET A 24 42.708 15.927 19.273 1.00 0.00 N ATOM 162 CA MET A 24 42.891 16.986 20.247 1.00 0.00 C ATOM 163 C MET A 24 44.278 17.603 20.128 1.00 0.00 C ATOM 164 O MET A 24 44.418 18.823 20.098 1.00 0.00 O ATOM 165 CB MET A 24 42.678 16.422 21.649 1.00 0.00 C ATOM 0 H MET A 24 42.836 14.990 19.654 1.00 0.00 H new ATOM 0 HA MET A 24 42.161 17.772 20.056 1.00 0.00 H new ATOM 168 N THR A 25 45.306 16.752 20.067 1.00 0.00 N ATOM 169 CA THR A 25 46.680 17.204 19.987 1.00 0.00 C ATOM 170 C THR A 25 46.981 17.834 18.635 1.00 0.00 C ATOM 171 O THR A 25 47.792 18.754 18.553 1.00 0.00 O ATOM 172 CB THR A 25 47.609 16.022 20.244 1.00 0.00 C ATOM 0 H THR A 25 45.201 15.737 20.072 1.00 0.00 H new ATOM 0 HA THR A 25 46.841 17.971 20.745 1.00 0.00 H new ATOM 175 N GLY A 26 46.326 17.354 17.574 1.00 0.00 N ATOM 176 CA GLY A 26 46.548 17.868 16.236 1.00 0.00 C ATOM 177 C GLY A 26 45.775 19.164 16.039 1.00 0.00 C ATOM 178 O GLY A 26 46.342 20.173 15.624 1.00 0.00 O ATOM 0 H GLY A 26 45.635 16.605 17.626 1.00 0.00 H new ATOM 0 HA2 GLY A 26 47.612 18.042 16.077 1.00 0.00 H new ATOM 0 HA3 GLY A 26 46.232 17.131 15.498 1.00 0.00 H new ATOM 182 N VAL A 27 44.476 19.135 16.344 1.00 0.00 N ATOM 183 CA VAL A 27 43.643 20.310 16.204 1.00 0.00 C ATOM 184 C VAL A 27 44.086 21.353 17.219 1.00 0.00 C ATOM 185 O VAL A 27 43.989 22.552 16.968 1.00 0.00 O ATOM 186 CB VAL A 27 42.182 19.928 16.416 1.00 0.00 C ATOM 0 H VAL A 27 43.988 18.308 16.688 1.00 0.00 H new ATOM 0 HA VAL A 27 43.744 20.728 15.202 1.00 0.00 H new ATOM 189 N ALA A 28 44.584 20.887 18.367 1.00 0.00 N ATOM 190 CA ALA A 28 45.039 21.766 19.423 1.00 0.00 C ATOM 191 C ALA A 28 46.311 22.500 19.020 1.00 0.00 C ATOM 192 O ALA A 28 46.430 23.699 19.264 1.00 0.00 O ATOM 193 CB ALA A 28 45.277 20.947 20.688 1.00 0.00 C ATOM 0 H ALA A 28 44.679 19.894 18.581 1.00 0.00 H new ATOM 0 HA ALA A 28 44.271 22.517 19.610 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.620 21.604 21.487 1.00 0.00 H new ATOM 0 HB2 ALA A 28 44.347 20.464 20.989 1.00 0.00 H new ATOM 0 HB3 ALA A 28 46.034 20.187 20.493 1.00 0.00 H new ATOM 196 N LYS A 29 47.260 21.787 18.404 1.00 0.00 N ATOM 197 CA LYS A 29 48.526 22.369 18.000 1.00 0.00 C ATOM 198 C LYS A 29 48.381 23.142 16.696 1.00 0.00 C ATOM 199 O LYS A 29 49.143 24.073 16.444 1.00 0.00 O ATOM 200 CB LYS A 29 49.563 21.260 17.849 1.00 0.00 C ATOM 0 H LYS A 29 47.165 20.797 18.177 1.00 0.00 H new ATOM 0 HA LYS A 29 48.852 23.072 18.767 1.00 0.00 H new ATOM 203 N ALA A 30 47.399 22.760 15.875 1.00 0.00 N ATOM 204 CA ALA A 30 47.165 23.405 14.597 1.00 0.00 C ATOM 205 C ALA A 30 46.371 24.686 14.824 1.00 0.00 C ATOM 206 O ALA A 30 46.847 25.591 15.506 1.00 0.00 O ATOM 207 CB ALA A 30 46.430 22.435 13.676 1.00 0.00 C ATOM 0 H ALA A 30 46.752 21.999 16.083 1.00 0.00 H new ATOM 0 HA ALA A 30 48.107 23.674 14.119 1.00 0.00 H new ATOM 0 HB1 ALA A 30 46.250 22.913 12.713 1.00 0.00 H new ATOM 0 HB2 ALA A 30 47.037 21.541 13.530 1.00 0.00 H new ATOM 0 HB3 ALA A 30 45.477 22.157 14.126 1.00 0.00 H new ATOM 210 N PHE A 31 45.164 24.762 14.256 1.00 0.00 N ATOM 211 CA PHE A 31 44.294 25.910 14.409 1.00 0.00 C ATOM 212 C PHE A 31 42.871 25.421 14.191 1.00 0.00 C ATOM 213 O PHE A 31 42.221 24.991 15.142 1.00 0.00 O ATOM 214 CB PHE A 31 44.671 26.986 13.394 1.00 0.00 C ATOM 0 H PHE A 31 44.770 24.021 13.677 1.00 0.00 H new ATOM 0 HA PHE A 31 44.390 26.354 15.400 1.00 0.00 H new ATOM 217 N ASP A 32 42.410 25.470 12.937 1.00 0.00 N ATOM 218 CA ASP A 32 41.090 25.007 12.547 1.00 0.00 C ATOM 219 C ASP A 32 39.993 25.424 13.516 1.00 0.00 C ATOM 220 O ASP A 32 39.012 26.043 13.108 1.00 0.00 O ATOM 221 CB ASP A 32 41.118 23.489 12.395 1.00 0.00 C ATOM 0 H ASP A 32 42.957 25.839 12.159 1.00 0.00 H new ATOM 0 HA ASP A 32 40.846 25.481 11.596 1.00 0.00 H new ATOM 224 N ALA A 33 40.147 25.075 14.796 1.00 0.00 N ATOM 225 CA ALA A 33 39.131 25.379 15.783 1.00 0.00 C ATOM 226 C ALA A 33 37.906 24.572 15.384 1.00 0.00 C ATOM 227 O ALA A 33 37.290 23.901 16.210 1.00 0.00 O ATOM 228 CB ALA A 33 38.836 26.876 15.776 1.00 0.00 C ATOM 0 H ALA A 33 40.963 24.585 15.163 1.00 0.00 H new ATOM 0 HA ALA A 33 39.448 25.123 16.794 1.00 0.00 H new ATOM 0 HB1 ALA A 33 38.071 27.100 16.520 1.00 0.00 H new ATOM 0 HB2 ALA A 33 39.746 27.427 16.014 1.00 0.00 H new ATOM 0 HB3 ALA A 33 38.480 27.172 14.789 1.00 0.00 H new ATOM 231 N GLU A 34 37.583 24.632 14.090 1.00 0.00 N ATOM 232 CA GLU A 34 36.478 23.874 13.543 1.00 0.00 C ATOM 233 C GLU A 34 36.870 22.408 13.644 1.00 0.00 C ATOM 234 O GLU A 34 36.067 21.565 14.040 1.00 0.00 O ATOM 235 CB GLU A 34 36.237 24.283 12.093 1.00 0.00 C ATOM 0 H GLU A 34 38.080 25.203 13.406 1.00 0.00 H new ATOM 0 HA GLU A 34 35.551 24.059 14.086 1.00 0.00 H new ATOM 238 N ALA A 35 38.129 22.117 13.306 1.00 0.00 N ATOM 239 CA ALA A 35 38.653 20.773 13.396 1.00 0.00 C ATOM 240 C ALA A 35 38.593 20.367 14.860 1.00 0.00 C ATOM 241 O ALA A 35 38.181 19.255 15.182 1.00 0.00 O ATOM 242 CB ALA A 35 40.087 20.745 12.876 1.00 0.00 C ATOM 0 H ALA A 35 38.799 22.807 12.967 1.00 0.00 H new ATOM 0 HA ALA A 35 38.072 20.077 12.791 1.00 0.00 H new ATOM 0 HB1 ALA A 35 40.479 19.730 12.945 1.00 0.00 H new ATOM 0 HB2 ALA A 35 40.103 21.070 11.836 1.00 0.00 H new ATOM 0 HB3 ALA A 35 40.704 21.414 13.475 1.00 0.00 H new ATOM 245 N ALA A 36 38.998 21.286 15.743 1.00 0.00 N ATOM 246 CA ALA A 36 38.963 21.055 17.173 1.00 0.00 C ATOM 247 C ALA A 36 37.556 20.642 17.573 1.00 0.00 C ATOM 248 O ALA A 36 37.388 19.712 18.356 1.00 0.00 O ATOM 249 CB ALA A 36 39.384 22.325 17.906 1.00 0.00 C ATOM 0 H ALA A 36 39.356 22.204 15.478 1.00 0.00 H new ATOM 0 HA ALA A 36 39.656 20.258 17.442 1.00 0.00 H new ATOM 0 HB1 ALA A 36 39.357 22.150 18.982 1.00 0.00 H new ATOM 0 HB2 ALA A 36 40.396 22.599 17.608 1.00 0.00 H new ATOM 0 HB3 ALA A 36 38.700 23.135 17.653 1.00 0.00 H new ATOM 252 N LYS A 37 36.549 21.335 17.035 1.00 0.00 N ATOM 253 CA LYS A 37 35.163 21.014 17.316 1.00 0.00 C ATOM 254 C LYS A 37 34.918 19.556 16.957 1.00 0.00 C ATOM 255 O LYS A 37 34.225 18.844 17.679 1.00 0.00 O ATOM 256 CB LYS A 37 34.252 21.933 16.506 1.00 0.00 C ATOM 0 H LYS A 37 36.677 22.124 16.401 1.00 0.00 H new ATOM 0 HA LYS A 37 34.945 21.163 18.374 1.00 0.00 H new ATOM 259 N VAL A 38 35.504 19.116 15.841 1.00 0.00 N ATOM 260 CA VAL A 38 35.374 17.741 15.397 1.00 0.00 C ATOM 261 C VAL A 38 36.024 16.828 16.428 1.00 0.00 C ATOM 262 O VAL A 38 35.543 15.724 16.693 1.00 0.00 O ATOM 263 CB VAL A 38 36.042 17.583 14.034 1.00 0.00 C ATOM 0 H VAL A 38 36.074 19.701 15.231 1.00 0.00 H new ATOM 0 HA VAL A 38 34.323 17.471 15.298 1.00 0.00 H new ATOM 266 N GLU A 39 37.109 17.302 17.044 1.00 0.00 N ATOM 267 CA GLU A 39 37.797 16.533 18.055 1.00 0.00 C ATOM 268 C GLU A 39 36.821 16.408 19.208 1.00 0.00 C ATOM 269 O GLU A 39 36.681 15.337 19.788 1.00 0.00 O ATOM 270 CB GLU A 39 39.071 17.260 18.478 1.00 0.00 C ATOM 0 H GLU A 39 37.521 18.215 16.853 1.00 0.00 H new ATOM 0 HA GLU A 39 38.100 15.549 17.696 1.00 0.00 H new ATOM 273 N ALA A 40 36.153 17.524 19.514 1.00 0.00 N ATOM 274 CA ALA A 40 35.141 17.569 20.551 1.00 0.00 C ATOM 275 C ALA A 40 34.133 16.460 20.284 1.00 0.00 C ATOM 276 O ALA A 40 33.688 15.787 21.208 1.00 0.00 O ATOM 277 CB ALA A 40 34.463 18.936 20.542 1.00 0.00 C ATOM 0 H ALA A 40 36.305 18.417 19.045 1.00 0.00 H new ATOM 0 HA ALA A 40 35.589 17.420 21.534 1.00 0.00 H new ATOM 0 HB1 ALA A 40 33.702 18.970 21.322 1.00 0.00 H new ATOM 0 HB2 ALA A 40 35.206 19.712 20.726 1.00 0.00 H new ATOM 0 HB3 ALA A 40 33.996 19.104 19.572 1.00 0.00 H new ATOM 280 N ALA A 41 33.778 16.278 19.009 1.00 0.00 N ATOM 281 CA ALA A 41 32.863 15.225 18.615 1.00 0.00 C ATOM 282 C ALA A 41 33.408 13.898 19.129 1.00 0.00 C ATOM 283 O ALA A 41 32.695 13.121 19.765 1.00 0.00 O ATOM 284 CB ALA A 41 32.727 15.205 17.096 1.00 0.00 C ATOM 0 H ALA A 41 34.116 16.852 18.237 1.00 0.00 H new ATOM 0 HA ALA A 41 31.874 15.398 19.040 1.00 0.00 H new ATOM 0 HB1 ALA A 41 32.039 14.412 16.803 1.00 0.00 H new ATOM 0 HB2 ALA A 41 32.342 16.165 16.752 1.00 0.00 H new ATOM 0 HB3 ALA A 41 33.703 15.023 16.646 1.00 0.00 H new ATOM 287 N LYS A 42 34.695 13.651 18.878 1.00 0.00 N ATOM 288 CA LYS A 42 35.330 12.436 19.348 1.00 0.00 C ATOM 289 C LYS A 42 35.249 12.422 20.871 1.00 0.00 C ATOM 290 O LYS A 42 35.027 11.372 21.470 1.00 0.00 O ATOM 291 CB LYS A 42 36.778 12.399 18.871 1.00 0.00 C ATOM 0 H LYS A 42 35.308 14.277 18.355 1.00 0.00 H new ATOM 0 HA LYS A 42 34.828 11.554 18.952 1.00 0.00 H new ATOM 294 N LEU A 43 35.427 13.604 21.476 1.00 0.00 N ATOM 295 CA LEU A 43 35.350 13.768 22.915 1.00 0.00 C ATOM 296 C LEU A 43 34.036 13.168 23.377 1.00 0.00 C ATOM 297 O LEU A 43 34.043 12.295 24.237 1.00 0.00 O ATOM 298 CB LEU A 43 35.454 15.244 23.289 1.00 0.00 C ATOM 0 H LEU A 43 35.628 14.468 20.972 1.00 0.00 H new ATOM 0 HA LEU A 43 36.178 13.258 23.407 1.00 0.00 H new ATOM 301 N GLU A 44 32.929 13.664 22.816 1.00 0.00 N ATOM 302 CA GLU A 44 31.605 13.138 23.085 1.00 0.00 C ATOM 303 C GLU A 44 31.635 11.616 23.052 1.00 0.00 C ATOM 304 O GLU A 44 31.046 10.970 23.913 1.00 0.00 O ATOM 305 CB GLU A 44 30.623 13.683 22.052 1.00 0.00 C ATOM 0 H GLU A 44 32.936 14.446 22.161 1.00 0.00 H new ATOM 0 HA GLU A 44 31.280 13.452 24.077 1.00 0.00 H new ATOM 308 N LYS A 45 32.329 11.028 22.073 1.00 0.00 N ATOM 309 CA LYS A 45 32.442 9.581 21.992 1.00 0.00 C ATOM 310 C LYS A 45 33.088 9.019 23.258 1.00 0.00 C ATOM 311 O LYS A 45 32.585 8.063 23.843 1.00 0.00 O ATOM 312 CB LYS A 45 33.257 9.205 20.758 1.00 0.00 C ATOM 0 H LYS A 45 32.816 11.534 21.333 1.00 0.00 H new ATOM 0 HA LYS A 45 31.445 9.149 21.907 1.00 0.00 H new ATOM 315 N ILE A 46 34.206 9.620 23.676 1.00 0.00 N ATOM 316 CA ILE A 46 34.914 9.187 24.874 1.00 0.00 C ATOM 317 C ILE A 46 33.965 9.277 26.063 1.00 0.00 C ATOM 318 O ILE A 46 33.844 8.344 26.854 1.00 0.00 O ATOM 319 CB ILE A 46 36.137 10.075 25.089 1.00 0.00 C ATOM 0 H ILE A 46 34.638 10.410 23.197 1.00 0.00 H new ATOM 0 HA ILE A 46 35.252 8.156 24.765 1.00 0.00 H new ATOM 322 N LEU A 47 33.286 10.419 26.154 1.00 0.00 N ATOM 323 CA LEU A 47 32.293 10.633 27.184 1.00 0.00 C ATOM 324 C LEU A 47 31.127 9.798 26.693 1.00 0.00 C ATOM 325 O LEU A 47 30.117 10.337 26.246 1.00 0.00 O ATOM 326 CB LEU A 47 31.935 12.114 27.267 1.00 0.00 C ATOM 0 H LEU A 47 33.412 11.208 25.520 1.00 0.00 H new ATOM 0 HA LEU A 47 32.617 10.355 28.187 1.00 0.00 H new ATOM 329 N ALA A 48 31.312 8.475 26.728 1.00 0.00 N ATOM 330 CA ALA A 48 30.332 7.552 26.201 1.00 0.00 C ATOM 331 C ALA A 48 29.321 7.359 27.314 1.00 0.00 C ATOM 332 O ALA A 48 29.735 6.986 28.409 1.00 0.00 O ATOM 333 CB ALA A 48 31.007 6.233 25.834 1.00 0.00 C ATOM 0 H ALA A 48 32.141 8.028 27.121 1.00 0.00 H new ATOM 0 HA ALA A 48 29.854 7.925 25.295 1.00 0.00 H new ATOM 0 HB1 ALA A 48 30.263 5.542 25.438 1.00 0.00 H new ATOM 0 HB2 ALA A 48 31.773 6.414 25.080 1.00 0.00 H new ATOM 0 HB3 ALA A 48 31.467 5.800 26.722 1.00 0.00 H new ATOM 336 N THR A 49 28.022 7.569 27.115 1.00 0.00 N ATOM 337 CA THR A 49 27.097 7.320 28.197 1.00 0.00 C ATOM 338 C THR A 49 27.129 5.825 28.488 1.00 0.00 C ATOM 339 O THR A 49 26.111 5.152 28.343 1.00 0.00 O ATOM 340 CB THR A 49 25.697 7.768 27.788 1.00 0.00 C ATOM 0 H THR A 49 27.605 7.899 26.245 1.00 0.00 H new ATOM 0 HA THR A 49 27.375 7.878 29.091 1.00 0.00 H new ATOM 343 N ASP A 50 28.296 5.296 28.884 1.00 0.00 N ATOM 344 CA ASP A 50 28.421 3.875 29.148 1.00 0.00 C ATOM 345 C ASP A 50 29.686 3.488 29.914 1.00 0.00 C ATOM 346 O ASP A 50 29.699 2.432 30.543 1.00 0.00 O ATOM 347 CB ASP A 50 28.360 3.120 27.823 1.00 0.00 C ATOM 0 H ASP A 50 29.152 5.833 29.024 1.00 0.00 H new ATOM 0 HA ASP A 50 27.590 3.601 29.798 1.00 0.00 H new ATOM 350 N VAL A 51 30.750 4.302 29.879 1.00 0.00 N ATOM 351 CA VAL A 51 31.981 3.968 30.571 1.00 0.00 C ATOM 352 C VAL A 51 31.697 3.748 32.054 1.00 0.00 C ATOM 353 O VAL A 51 31.221 4.652 32.737 1.00 0.00 O ATOM 354 CB VAL A 51 32.990 5.096 30.379 1.00 0.00 C ATOM 0 H VAL A 51 30.773 5.190 29.378 1.00 0.00 H new ATOM 0 HA VAL A 51 32.397 3.048 30.160 1.00 0.00 H new ATOM 357 N ALA A 52 31.989 2.542 32.547 1.00 0.00 N ATOM 358 CA ALA A 52 31.762 2.185 33.932 1.00 0.00 C ATOM 359 C ALA A 52 32.546 0.915 34.237 1.00 0.00 C ATOM 360 O ALA A 52 33.178 0.809 35.286 1.00 0.00 O ATOM 361 CB ALA A 52 30.269 1.968 34.161 1.00 0.00 C ATOM 0 H ALA A 52 32.391 1.790 31.987 1.00 0.00 H new ATOM 0 HA ALA A 52 32.098 2.983 34.595 1.00 0.00 H new ATOM 0 HB1 ALA A 52 30.096 1.699 35.203 1.00 0.00 H new ATOM 0 HB2 ALA A 52 29.728 2.885 33.928 1.00 0.00 H new ATOM 0 HB3 ALA A 52 29.915 1.164 33.515 1.00 0.00 H new ATOM 364 N PRO A 53 32.509 -0.044 33.308 1.00 0.00 N ATOM 365 CA PRO A 53 33.218 -1.300 33.466 1.00 0.00 C ATOM 366 C PRO A 53 34.708 -1.072 33.257 1.00 0.00 C ATOM 367 O PRO A 53 35.396 -0.610 34.165 1.00 0.00 O ATOM 368 CB PRO A 53 32.676 -2.321 32.470 1.00 0.00 C ATOM 0 HA PRO A 53 33.066 -1.688 34.473 1.00 0.00 H new ATOM 370 N LEU A 54 35.215 -1.400 32.064 1.00 0.00 N ATOM 371 CA LEU A 54 36.618 -1.212 31.760 1.00 0.00 C ATOM 372 C LEU A 54 37.503 -2.061 32.665 1.00 0.00 C ATOM 373 O LEU A 54 38.126 -1.522 33.578 1.00 0.00 O ATOM 374 CB LEU A 54 36.968 0.266 31.904 1.00 0.00 C ATOM 0 H LEU A 54 34.667 -1.796 31.300 1.00 0.00 H new ATOM 0 HA LEU A 54 36.800 -1.534 30.735 1.00 0.00 H new ATOM 377 N PHE A 55 37.535 -3.374 32.394 1.00 0.00 N ATOM 378 CA PHE A 55 38.355 -4.354 33.094 1.00 0.00 C ATOM 379 C PHE A 55 37.575 -5.091 34.177 1.00 0.00 C ATOM 380 O PHE A 55 37.662 -6.315 34.256 1.00 0.00 O ATOM 381 CB PHE A 55 39.648 -3.749 33.639 1.00 0.00 C ATOM 0 H PHE A 55 36.968 -3.790 31.655 1.00 0.00 H new ATOM 0 HA PHE A 55 38.644 -5.096 32.350 1.00 0.00 H new ATOM 384 N PRO A 56 36.822 -4.363 35.009 1.00 0.00 N ATOM 385 CA PRO A 56 36.030 -4.991 36.053 1.00 0.00 C ATOM 386 C PRO A 56 35.110 -6.001 35.389 1.00 0.00 C ATOM 387 O PRO A 56 34.722 -5.799 34.240 1.00 0.00 O ATOM 388 CB PRO A 56 36.952 -5.667 37.063 1.00 0.00 C ATOM 0 HA PRO A 56 35.436 -4.253 36.592 1.00 0.00 H new ATOM 390 N ALA A 57 34.763 -7.090 36.083 1.00 0.00 N ATOM 391 CA ALA A 57 33.919 -8.116 35.505 1.00 0.00 C ATOM 392 C ALA A 57 34.545 -8.613 34.209 1.00 0.00 C ATOM 393 O ALA A 57 33.834 -8.998 33.284 1.00 0.00 O ATOM 394 CB ALA A 57 32.525 -7.549 35.253 1.00 0.00 C ATOM 0 H ALA A 57 35.057 -7.274 37.042 1.00 0.00 H new ATOM 0 HA ALA A 57 33.830 -8.956 36.194 1.00 0.00 H new ATOM 0 HB1 ALA A 57 31.891 -8.322 34.818 1.00 0.00 H new ATOM 0 HB2 ALA A 57 32.093 -7.213 36.196 1.00 0.00 H new ATOM 0 HB3 ALA A 57 32.594 -6.706 34.565 1.00 0.00 H new ATOM 397 N GLY A 58 35.880 -8.591 34.136 1.00 0.00 N ATOM 398 CA GLY A 58 36.578 -9.034 32.946 1.00 0.00 C ATOM 399 C GLY A 58 38.088 -8.954 33.134 1.00 0.00 C ATOM 400 O GLY A 58 38.571 -8.779 34.250 1.00 0.00 O ATOM 0 H GLY A 58 36.488 -8.271 34.889 1.00 0.00 H new ATOM 0 HA2 GLY A 58 36.291 -10.059 32.713 1.00 0.00 H new ATOM 0 HA3 GLY A 58 36.281 -8.419 32.096 1.00 0.00 H new ATOM 404 N THR A 59 38.820 -9.088 32.024 1.00 0.00 N ATOM 405 CA THR A 59 40.269 -9.041 32.017 1.00 0.00 C ATOM 406 C THR A 59 40.789 -7.829 32.776 1.00 0.00 C ATOM 407 O THR A 59 40.972 -6.759 32.199 1.00 0.00 O ATOM 408 CB THR A 59 40.762 -9.017 30.573 1.00 0.00 C ATOM 0 H THR A 59 38.411 -9.233 31.101 1.00 0.00 H new ATOM 0 HA THR A 59 40.650 -9.929 32.521 1.00 0.00 H new ATOM 411 N SER A 60 41.039 -8.015 34.073 1.00 0.00 N ATOM 412 CA SER A 60 41.555 -6.970 34.931 1.00 0.00 C ATOM 413 C SER A 60 42.206 -7.617 36.146 1.00 0.00 C ATOM 414 O SER A 60 42.009 -8.805 36.393 1.00 0.00 O ATOM 415 CB SER A 60 40.418 -6.044 35.352 1.00 0.00 C ATOM 0 H SER A 60 40.885 -8.903 34.551 1.00 0.00 H new ATOM 0 HA SER A 60 42.298 -6.375 34.401 1.00 0.00 H new ATOM 418 N SER A 61 42.988 -6.842 36.901 1.00 0.00 N ATOM 419 CA SER A 61 43.655 -7.355 38.080 1.00 0.00 C ATOM 420 C SER A 61 42.620 -7.936 39.032 1.00 0.00 C ATOM 421 O SER A 61 42.633 -7.640 40.225 1.00 0.00 O ATOM 422 CB SER A 61 44.443 -6.233 38.751 1.00 0.00 C ATOM 0 H SER A 61 43.169 -5.857 36.709 1.00 0.00 H new ATOM 0 HA SER A 61 44.352 -8.145 37.799 1.00 0.00 H new ATOM 425 N THR A 62 41.718 -8.762 38.496 1.00 0.00 N ATOM 426 CA THR A 62 40.677 -9.377 39.295 1.00 0.00 C ATOM 427 C THR A 62 40.047 -10.564 38.573 1.00 0.00 C ATOM 428 O THR A 62 39.302 -11.329 39.182 1.00 0.00 O ATOM 429 CB THR A 62 39.616 -8.332 39.628 1.00 0.00 C ATOM 0 H THR A 62 41.695 -9.015 37.508 1.00 0.00 H new ATOM 0 HA THR A 62 41.122 -9.755 40.215 1.00 0.00 H new ATOM 432 N ASP A 63 40.340 -10.728 37.279 1.00 0.00 N ATOM 433 CA ASP A 63 39.790 -11.818 36.499 1.00 0.00 C ATOM 434 C ASP A 63 40.117 -13.151 37.157 1.00 0.00 C ATOM 435 O ASP A 63 39.236 -13.992 37.323 1.00 0.00 O ATOM 436 CB ASP A 63 40.356 -11.763 35.083 1.00 0.00 C ATOM 0 H ASP A 63 40.960 -10.110 36.756 1.00 0.00 H new ATOM 0 HA ASP A 63 38.705 -11.720 36.451 1.00 0.00 H new ATOM 439 N LEU A 64 41.385 -13.340 37.531 1.00 0.00 N ATOM 440 CA LEU A 64 41.829 -14.564 38.169 1.00 0.00 C ATOM 441 C LEU A 64 43.126 -14.305 38.921 1.00 0.00 C ATOM 442 O LEU A 64 43.107 -14.096 40.132 1.00 0.00 O ATOM 443 CB LEU A 64 42.019 -15.650 37.114 1.00 0.00 C ATOM 0 H LEU A 64 42.123 -12.648 37.397 1.00 0.00 H new ATOM 0 HA LEU A 64 41.078 -14.903 38.882 1.00 0.00 H new ATOM 446 N PRO A 65 44.252 -14.322 38.203 1.00 0.00 N ATOM 447 CA PRO A 65 45.547 -14.086 38.810 1.00 0.00 C ATOM 448 C PRO A 65 46.673 -14.273 37.799 1.00 0.00 C ATOM 449 O PRO A 65 47.841 -14.194 38.171 1.00 0.00 O ATOM 450 CB PRO A 65 45.735 -15.034 39.992 1.00 0.00 C ATOM 0 HA PRO A 65 45.583 -13.054 39.160 1.00 0.00 H new ATOM 452 N GLY A 66 46.324 -14.530 36.532 1.00 0.00 N ATOM 453 CA GLY A 66 47.303 -14.730 35.476 1.00 0.00 C ATOM 454 C GLY A 66 46.727 -14.327 34.124 1.00 0.00 C ATOM 455 O GLY A 66 47.475 -13.971 33.216 1.00 0.00 O ATOM 0 H GLY A 66 45.356 -14.603 36.219 1.00 0.00 H new ATOM 0 HA2 GLY A 66 48.197 -14.142 35.686 1.00 0.00 H new ATOM 0 HA3 GLY A 66 47.608 -15.776 35.450 1.00 0.00 H new ATOM 459 N GLN A 67 45.398 -14.368 33.989 1.00 0.00 N ATOM 460 CA GLN A 67 44.739 -14.001 32.749 1.00 0.00 C ATOM 461 C GLN A 67 45.015 -12.540 32.414 1.00 0.00 C ATOM 462 O GLN A 67 45.768 -11.871 33.119 1.00 0.00 O ATOM 463 CB GLN A 67 43.239 -14.249 32.883 1.00 0.00 C ATOM 0 H GLN A 67 44.761 -14.655 34.733 1.00 0.00 H new ATOM 0 HA GLN A 67 45.130 -14.612 31.936 1.00 0.00 H new ATOM 466 N THR A 68 44.391 -12.042 31.342 1.00 0.00 N ATOM 467 CA THR A 68 44.571 -10.669 30.912 1.00 0.00 C ATOM 468 C THR A 68 43.888 -10.443 29.571 1.00 0.00 C ATOM 469 O THR A 68 43.467 -11.395 28.917 1.00 0.00 O ATOM 470 CB THR A 68 46.060 -10.346 30.809 1.00 0.00 C ATOM 0 H THR A 68 43.753 -12.582 30.757 1.00 0.00 H new ATOM 0 HA THR A 68 44.117 -10.006 31.649 1.00 0.00 H new ATOM 473 N GLU A 69 43.778 -9.174 29.167 1.00 0.00 N ATOM 474 CA GLU A 69 43.154 -8.813 27.910 1.00 0.00 C ATOM 475 C GLU A 69 43.056 -7.297 27.818 1.00 0.00 C ATOM 476 O GLU A 69 42.096 -6.765 27.266 1.00 0.00 O ATOM 477 CB GLU A 69 41.773 -9.456 27.818 1.00 0.00 C ATOM 0 H GLU A 69 44.120 -8.378 29.706 1.00 0.00 H new ATOM 0 HA GLU A 69 43.755 -9.176 27.077 1.00 0.00 H new ATOM 480 N ALA A 70 44.055 -6.605 28.371 1.00 0.00 N ATOM 481 CA ALA A 70 44.093 -5.157 28.362 1.00 0.00 C ATOM 482 C ALA A 70 45.271 -4.688 29.203 1.00 0.00 C ATOM 483 O ALA A 70 46.260 -4.192 28.667 1.00 0.00 O ATOM 484 CB ALA A 70 42.781 -4.606 28.913 1.00 0.00 C ATOM 0 H ALA A 70 44.854 -7.039 28.834 1.00 0.00 H new ATOM 0 HA ALA A 70 44.217 -4.791 27.343 1.00 0.00 H new ATOM 0 HB1 ALA A 70 42.812 -3.516 28.905 1.00 0.00 H new ATOM 0 HB2 ALA A 70 41.953 -4.950 28.293 1.00 0.00 H new ATOM 0 HB3 ALA A 70 42.639 -4.958 29.935 1.00 0.00 H new ATOM 487 N LYS A 71 45.163 -4.847 30.524 1.00 0.00 N ATOM 488 CA LYS A 71 46.219 -4.454 31.432 1.00 0.00 C ATOM 489 C LYS A 71 45.764 -4.666 32.869 1.00 0.00 C ATOM 490 O LYS A 71 45.058 -3.830 33.428 1.00 0.00 O ATOM 491 CB LYS A 71 46.581 -2.992 31.187 1.00 0.00 C ATOM 0 H LYS A 71 44.345 -5.249 30.982 1.00 0.00 H new ATOM 0 HA LYS A 71 47.104 -5.066 31.258 1.00 0.00 H new ATOM 494 N ALA A 72 46.179 -5.784 33.469 1.00 0.00 N ATOM 495 CA ALA A 72 45.823 -6.087 34.840 1.00 0.00 C ATOM 496 C ALA A 72 46.490 -5.058 35.740 1.00 0.00 C ATOM 497 O ALA A 72 45.847 -4.487 36.619 1.00 0.00 O ATOM 498 CB ALA A 72 46.295 -7.497 35.187 1.00 0.00 C ATOM 0 H ALA A 72 46.762 -6.490 33.019 1.00 0.00 H new ATOM 0 HA ALA A 72 44.743 -6.046 34.979 1.00 0.00 H new ATOM 0 HB1 ALA A 72 46.028 -7.727 36.219 1.00 0.00 H new ATOM 0 HB2 ALA A 72 45.818 -8.215 34.520 1.00 0.00 H new ATOM 0 HB3 ALA A 72 47.377 -7.557 35.070 1.00 0.00 H new ATOM 501 N ALA A 73 47.781 -4.828 35.484 1.00 0.00 N ATOM 502 CA ALA A 73 48.584 -3.882 36.237 1.00 0.00 C ATOM 503 C ALA A 73 48.561 -2.517 35.565 1.00 0.00 C ATOM 504 O ALA A 73 49.504 -2.169 34.857 1.00 0.00 O ATOM 505 CB ALA A 73 50.015 -4.405 36.325 1.00 0.00 C ATOM 0 H ALA A 73 48.295 -5.301 34.741 1.00 0.00 H new ATOM 0 HA ALA A 73 48.173 -3.774 37.241 1.00 0.00 H new ATOM 0 HB1 ALA A 73 50.626 -3.700 36.889 1.00 0.00 H new ATOM 0 HB2 ALA A 73 50.019 -5.372 36.828 1.00 0.00 H new ATOM 0 HB3 ALA A 73 50.424 -4.517 35.321 1.00 0.00 H new ATOM 508 N ILE A 74 47.494 -1.747 35.809 1.00 0.00 N ATOM 509 CA ILE A 74 47.325 -0.411 35.264 1.00 0.00 C ATOM 510 C ILE A 74 47.784 0.602 36.306 1.00 0.00 C ATOM 511 O ILE A 74 48.169 1.716 35.957 1.00 0.00 O ATOM 512 CB ILE A 74 45.852 -0.194 34.930 1.00 0.00 C ATOM 0 H ILE A 74 46.718 -2.046 36.399 1.00 0.00 H new ATOM 0 HA ILE A 74 47.917 -0.289 34.357 1.00 0.00 H new ATOM 515 N TRP A 75 47.729 0.195 37.581 1.00 0.00 N ATOM 516 CA TRP A 75 48.130 1.010 38.714 1.00 0.00 C ATOM 517 C TRP A 75 46.994 1.921 39.153 1.00 0.00 C ATOM 518 O TRP A 75 46.884 3.040 38.656 1.00 0.00 O ATOM 519 CB TRP A 75 49.408 1.789 38.414 1.00 0.00 C ATOM 0 H TRP A 75 47.396 -0.731 37.849 1.00 0.00 H new ATOM 0 HA TRP A 75 48.355 0.346 39.548 1.00 0.00 H new ATOM 522 N ALA A 76 46.201 1.408 40.106 1.00 0.00 N ATOM 523 CA ALA A 76 45.034 2.054 40.694 1.00 0.00 C ATOM 524 C ALA A 76 43.949 0.993 40.809 1.00 0.00 C ATOM 525 O ALA A 76 43.381 0.587 39.798 1.00 0.00 O ATOM 526 CB ALA A 76 44.509 3.217 39.855 1.00 0.00 C ATOM 0 H ALA A 76 46.371 0.484 40.503 1.00 0.00 H new ATOM 0 HA ALA A 76 45.316 2.471 41.661 1.00 0.00 H new ATOM 0 HB1 ALA A 76 43.640 3.656 40.345 1.00 0.00 H new ATOM 0 HB2 ALA A 76 45.288 3.972 39.752 1.00 0.00 H new ATOM 0 HB3 ALA A 76 44.223 2.854 38.868 1.00 0.00 H new ATOM 529 N ASN A 77 43.652 0.537 42.030 1.00 0.00 N ATOM 530 CA ASN A 77 42.640 -0.479 42.261 1.00 0.00 C ATOM 531 C ASN A 77 41.285 -0.030 41.728 1.00 0.00 C ATOM 532 O ASN A 77 41.172 1.048 41.153 1.00 0.00 O ATOM 533 CB ASN A 77 42.552 -0.762 43.758 1.00 0.00 C ATOM 0 H ASN A 77 44.110 0.866 42.880 1.00 0.00 H new ATOM 0 HA ASN A 77 42.921 -1.388 41.730 1.00 0.00 H new ATOM 536 N MET A 78 40.261 -0.868 41.922 1.00 0.00 N ATOM 537 CA MET A 78 38.909 -0.584 41.469 1.00 0.00 C ATOM 538 C MET A 78 38.475 0.837 41.814 1.00 0.00 C ATOM 539 O MET A 78 37.956 1.550 40.957 1.00 0.00 O ATOM 540 CB MET A 78 37.951 -1.597 42.090 1.00 0.00 C ATOM 0 H MET A 78 40.355 -1.764 42.400 1.00 0.00 H new ATOM 0 HA MET A 78 38.889 -0.667 40.382 1.00 0.00 H new ATOM 543 N ASP A 79 38.693 1.255 43.063 1.00 0.00 N ATOM 544 CA ASP A 79 38.316 2.587 43.497 1.00 0.00 C ATOM 545 C ASP A 79 39.088 3.630 42.701 1.00 0.00 C ATOM 546 O ASP A 79 38.487 4.511 42.090 1.00 0.00 O ATOM 547 CB ASP A 79 38.594 2.732 44.991 1.00 0.00 C ATOM 0 H ASP A 79 39.130 0.684 43.787 1.00 0.00 H new ATOM 0 HA ASP A 79 37.251 2.742 43.321 1.00 0.00 H new ATOM 550 N ASP A 80 40.420 3.522 42.723 1.00 0.00 N ATOM 551 CA ASP A 80 41.280 4.437 41.996 1.00 0.00 C ATOM 552 C ASP A 80 40.833 4.483 40.542 1.00 0.00 C ATOM 553 O ASP A 80 40.954 5.507 39.870 1.00 0.00 O ATOM 554 CB ASP A 80 42.729 3.969 42.107 1.00 0.00 C ATOM 0 H ASP A 80 40.921 2.802 43.243 1.00 0.00 H new ATOM 0 HA ASP A 80 41.211 5.440 42.418 1.00 0.00 H new ATOM 557 N PHE A 81 40.310 3.357 40.057 1.00 0.00 N ATOM 558 CA PHE A 81 39.824 3.261 38.701 1.00 0.00 C ATOM 559 C PHE A 81 38.721 4.283 38.480 1.00 0.00 C ATOM 560 O PHE A 81 38.838 5.139 37.607 1.00 0.00 O ATOM 561 CB PHE A 81 39.327 1.844 38.429 1.00 0.00 C ATOM 0 H PHE A 81 40.216 2.497 40.597 1.00 0.00 H new ATOM 0 HA PHE A 81 40.634 3.476 38.004 1.00 0.00 H new ATOM 564 N GLY A 82 37.649 4.201 39.272 1.00 0.00 N ATOM 565 CA GLY A 82 36.548 5.137 39.166 1.00 0.00 C ATOM 566 C GLY A 82 37.035 6.563 39.404 1.00 0.00 C ATOM 567 O GLY A 82 36.279 7.513 39.205 1.00 0.00 O ATOM 0 H GLY A 82 37.528 3.490 39.993 1.00 0.00 H new ATOM 0 HA2 GLY A 82 36.093 5.062 38.178 1.00 0.00 H new ATOM 0 HA3 GLY A 82 35.776 4.884 39.893 1.00 0.00 H new ATOM 571 N ALA A 83 38.305 6.710 39.799 1.00 0.00 N ATOM 572 CA ALA A 83 38.897 8.009 40.022 1.00 0.00 C ATOM 573 C ALA A 83 39.274 8.514 38.640 1.00 0.00 C ATOM 574 O ALA A 83 38.594 9.391 38.116 1.00 0.00 O ATOM 575 CB ALA A 83 40.109 7.908 40.943 1.00 0.00 C ATOM 0 H ALA A 83 38.938 5.928 39.969 1.00 0.00 H new ATOM 0 HA ALA A 83 38.212 8.694 40.521 1.00 0.00 H new ATOM 0 HB1 ALA A 83 40.535 8.900 41.094 1.00 0.00 H new ATOM 0 HB2 ALA A 83 39.802 7.495 41.904 1.00 0.00 H new ATOM 0 HB3 ALA A 83 40.857 7.257 40.490 1.00 0.00 H new ATOM 578 N LYS A 84 40.344 7.948 38.061 1.00 0.00 N ATOM 579 CA LYS A 84 40.808 8.302 36.725 1.00 0.00 C ATOM 580 C LYS A 84 39.640 8.342 35.751 1.00 0.00 C ATOM 581 O LYS A 84 39.610 9.172 34.851 1.00 0.00 O ATOM 582 CB LYS A 84 41.857 7.293 36.269 1.00 0.00 C ATOM 0 H LYS A 84 40.909 7.230 38.514 1.00 0.00 H new ATOM 0 HA LYS A 84 41.258 9.294 36.751 1.00 0.00 H new ATOM 585 N GLY A 85 38.710 7.410 35.947 1.00 0.00 N ATOM 586 CA GLY A 85 37.497 7.368 35.154 1.00 0.00 C ATOM 587 C GLY A 85 36.881 8.757 35.260 1.00 0.00 C ATOM 588 O GLY A 85 36.769 9.469 34.264 1.00 0.00 O ATOM 0 H GLY A 85 38.779 6.675 36.651 1.00 0.00 H new ATOM 0 HA2 GLY A 85 37.717 7.116 34.117 1.00 0.00 H new ATOM 0 HA3 GLY A 85 36.812 6.607 35.528 1.00 0.00 H new ATOM 592 N LYS A 86 36.502 9.110 36.491 1.00 0.00 N ATOM 593 CA LYS A 86 35.968 10.429 36.785 1.00 0.00 C ATOM 594 C LYS A 86 36.826 11.525 36.142 1.00 0.00 C ATOM 595 O LYS A 86 36.297 12.421 35.490 1.00 0.00 O ATOM 596 CB LYS A 86 35.899 10.619 38.297 1.00 0.00 C ATOM 0 H LYS A 86 36.558 8.492 37.300 1.00 0.00 H new ATOM 0 HA LYS A 86 34.965 10.507 36.365 1.00 0.00 H new ATOM 599 N ALA A 87 38.149 11.443 36.321 1.00 0.00 N ATOM 600 CA ALA A 87 39.070 12.434 35.789 1.00 0.00 C ATOM 601 C ALA A 87 38.869 12.637 34.293 1.00 0.00 C ATOM 602 O ALA A 87 38.655 13.759 33.840 1.00 0.00 O ATOM 603 CB ALA A 87 40.503 12.003 36.086 1.00 0.00 C ATOM 0 H ALA A 87 38.602 10.689 36.837 1.00 0.00 H new ATOM 0 HA ALA A 87 38.870 13.390 36.274 1.00 0.00 H new ATOM 0 HB1 ALA A 87 41.196 12.744 35.688 1.00 0.00 H new ATOM 0 HB2 ALA A 87 40.642 11.919 37.164 1.00 0.00 H new ATOM 0 HB3 ALA A 87 40.697 11.038 35.619 1.00 0.00 H new ATOM 606 N MET A 88 38.956 11.541 33.540 1.00 0.00 N ATOM 607 CA MET A 88 38.785 11.568 32.103 1.00 0.00 C ATOM 608 C MET A 88 37.448 12.223 31.804 1.00 0.00 C ATOM 609 O MET A 88 37.360 13.079 30.929 1.00 0.00 O ATOM 610 CB MET A 88 38.833 10.145 31.553 1.00 0.00 C ATOM 0 H MET A 88 39.147 10.613 33.917 1.00 0.00 H new ATOM 0 HA MET A 88 39.584 12.136 31.627 1.00 0.00 H new ATOM 613 N HIS A 89 36.415 11.826 32.550 1.00 0.00 N ATOM 614 CA HIS A 89 35.092 12.405 32.395 1.00 0.00 C ATOM 615 C HIS A 89 35.178 13.919 32.575 1.00 0.00 C ATOM 616 O HIS A 89 34.539 14.666 31.840 1.00 0.00 O ATOM 617 CB HIS A 89 34.146 11.791 33.422 1.00 0.00 C ATOM 0 H HIS A 89 36.476 11.104 33.267 1.00 0.00 H new ATOM 0 HA HIS A 89 34.707 12.194 31.398 1.00 0.00 H new ATOM 620 N GLU A 90 35.958 14.345 33.574 1.00 0.00 N ATOM 621 CA GLU A 90 36.158 15.767 33.836 1.00 0.00 C ATOM 622 C GLU A 90 36.561 16.465 32.534 1.00 0.00 C ATOM 623 O GLU A 90 36.048 17.527 32.190 1.00 0.00 O ATOM 624 CB GLU A 90 37.237 15.942 34.900 1.00 0.00 C ATOM 0 H GLU A 90 36.458 13.725 34.211 1.00 0.00 H new ATOM 0 HA GLU A 90 35.235 16.214 34.204 1.00 0.00 H new ATOM 627 N ALA A 91 37.478 15.815 31.821 1.00 0.00 N ATOM 628 CA ALA A 91 37.952 16.316 30.535 1.00 0.00 C ATOM 629 C ALA A 91 36.842 16.170 29.490 1.00 0.00 C ATOM 630 O ALA A 91 36.665 17.018 28.618 1.00 0.00 O ATOM 631 CB ALA A 91 39.194 15.535 30.118 1.00 0.00 C ATOM 0 H ALA A 91 37.908 14.938 32.114 1.00 0.00 H new ATOM 0 HA ALA A 91 38.213 17.371 30.618 1.00 0.00 H new ATOM 0 HB1 ALA A 91 39.552 15.906 29.158 1.00 0.00 H new ATOM 0 HB2 ALA A 91 39.973 15.663 30.869 1.00 0.00 H new ATOM 0 HB3 ALA A 91 38.946 14.477 30.029 1.00 0.00 H new ATOM 634 N GLY A 92 36.103 15.071 29.621 1.00 0.00 N ATOM 635 CA GLY A 92 35.001 14.750 28.733 1.00 0.00 C ATOM 636 C GLY A 92 33.980 15.882 28.718 1.00 0.00 C ATOM 637 O GLY A 92 33.801 16.550 27.701 1.00 0.00 O ATOM 0 H GLY A 92 36.257 14.377 30.353 1.00 0.00 H new ATOM 0 HA2 GLY A 92 35.377 14.578 27.724 1.00 0.00 H new ATOM 0 HA3 GLY A 92 34.523 13.825 29.057 1.00 0.00 H new ATOM 641 N GLY A 93 33.306 16.095 29.851 1.00 0.00 N ATOM 642 CA GLY A 93 32.300 17.128 29.976 1.00 0.00 C ATOM 643 C GLY A 93 32.909 18.504 29.756 1.00 0.00 C ATOM 644 O GLY A 93 32.295 19.350 29.111 1.00 0.00 O ATOM 0 H GLY A 93 33.449 15.551 30.702 1.00 0.00 H new ATOM 0 HA2 GLY A 93 31.505 16.957 29.251 1.00 0.00 H new ATOM 0 HA3 GLY A 93 31.845 17.081 30.965 1.00 0.00 H new ATOM 648 N ALA A 94 34.114 18.732 30.287 1.00 0.00 N ATOM 649 CA ALA A 94 34.792 20.005 30.141 1.00 0.00 C ATOM 650 C ALA A 94 34.900 20.379 28.669 1.00 0.00 C ATOM 651 O ALA A 94 34.741 21.545 28.313 1.00 0.00 O ATOM 652 CB ALA A 94 36.177 19.915 30.775 1.00 0.00 C ATOM 0 H ALA A 94 34.636 18.040 30.824 1.00 0.00 H new ATOM 0 HA ALA A 94 34.218 20.782 30.647 1.00 0.00 H new ATOM 0 HB1 ALA A 94 36.689 20.871 30.667 1.00 0.00 H new ATOM 0 HB2 ALA A 94 36.078 19.674 31.833 1.00 0.00 H new ATOM 0 HB3 ALA A 94 36.755 19.135 30.278 1.00 0.00 H new ATOM 655 N VAL A 95 35.160 19.391 27.809 1.00 0.00 N ATOM 656 CA VAL A 95 35.276 19.627 26.384 1.00 0.00 C ATOM 657 C VAL A 95 33.900 19.961 25.828 1.00 0.00 C ATOM 658 O VAL A 95 33.761 20.861 25.004 1.00 0.00 O ATOM 659 CB VAL A 95 35.847 18.384 25.708 1.00 0.00 C ATOM 0 H VAL A 95 35.293 18.418 28.085 1.00 0.00 H new ATOM 0 HA VAL A 95 35.949 20.463 26.191 1.00 0.00 H new ATOM 662 N ILE A 96 32.884 19.229 26.289 1.00 0.00 N ATOM 663 CA ILE A 96 31.522 19.464 25.852 1.00 0.00 C ATOM 664 C ILE A 96 31.152 20.916 26.132 1.00 0.00 C ATOM 665 O ILE A 96 30.694 21.631 25.243 1.00 0.00 O ATOM 666 CB ILE A 96 30.581 18.513 26.585 1.00 0.00 C ATOM 0 H ILE A 96 32.987 18.471 26.964 1.00 0.00 H new ATOM 0 HA ILE A 96 31.433 19.279 24.782 1.00 0.00 H new ATOM 669 N ALA A 97 31.364 21.343 27.378 1.00 0.00 N ATOM 670 CA ALA A 97 31.062 22.699 27.793 1.00 0.00 C ATOM 671 C ALA A 97 31.838 23.704 26.949 1.00 0.00 C ATOM 672 O ALA A 97 31.242 24.560 26.299 1.00 0.00 O ATOM 673 CB ALA A 97 31.402 22.863 29.272 1.00 0.00 C ATOM 0 H ALA A 97 31.748 20.756 28.119 1.00 0.00 H new ATOM 0 HA ALA A 97 29.999 22.890 27.647 1.00 0.00 H new ATOM 0 HB1 ALA A 97 31.176 23.882 29.587 1.00 0.00 H new ATOM 0 HB2 ALA A 97 30.811 22.162 29.861 1.00 0.00 H new ATOM 0 HB3 ALA A 97 32.462 22.663 29.426 1.00 0.00 H new ATOM 676 N ALA A 98 33.169 23.599 26.964 1.00 0.00 N ATOM 677 CA ALA A 98 34.025 24.501 26.215 1.00 0.00 C ATOM 678 C ALA A 98 33.621 24.533 24.747 1.00 0.00 C ATOM 679 O ALA A 98 33.674 25.582 24.109 1.00 0.00 O ATOM 680 CB ALA A 98 35.477 24.053 26.362 1.00 0.00 C ATOM 0 H ALA A 98 33.674 22.889 27.494 1.00 0.00 H new ATOM 0 HA ALA A 98 33.916 25.510 26.612 1.00 0.00 H new ATOM 0 HB1 ALA A 98 36.124 24.727 25.801 1.00 0.00 H new ATOM 0 HB2 ALA A 98 35.759 24.072 27.415 1.00 0.00 H new ATOM 0 HB3 ALA A 98 35.586 23.040 25.975 1.00 0.00 H new ATOM 683 N ALA A 99 33.211 23.380 24.216 1.00 0.00 N ATOM 684 CA ALA A 99 32.803 23.277 22.829 1.00 0.00 C ATOM 685 C ALA A 99 31.630 24.211 22.571 1.00 0.00 C ATOM 686 O ALA A 99 31.671 25.017 21.644 1.00 0.00 O ATOM 687 CB ALA A 99 32.422 21.832 22.519 1.00 0.00 C ATOM 0 H ALA A 99 33.155 22.504 24.736 1.00 0.00 H new ATOM 0 HA ALA A 99 33.627 23.569 22.178 1.00 0.00 H new ATOM 0 HB1 ALA A 99 32.115 21.752 21.476 1.00 0.00 H new ATOM 0 HB2 ALA A 99 33.280 21.184 22.695 1.00 0.00 H new ATOM 0 HB3 ALA A 99 31.598 21.526 23.164 1.00 0.00 H new ATOM 690 N ASN A 100 30.587 24.094 23.397 1.00 0.00 N ATOM 691 CA ASN A 100 29.400 24.918 23.272 1.00 0.00 C ATOM 692 C ASN A 100 29.773 26.394 23.224 1.00 0.00 C ATOM 693 O ASN A 100 29.189 27.154 22.455 1.00 0.00 O ATOM 694 CB ASN A 100 28.467 24.638 24.447 1.00 0.00 C ATOM 0 H ASN A 100 30.549 23.425 24.166 1.00 0.00 H new ATOM 0 HA ASN A 100 28.889 24.672 22.341 1.00 0.00 H new ATOM 697 N ALA A 101 30.748 26.797 24.042 1.00 0.00 N ATOM 698 CA ALA A 101 31.188 28.178 24.084 1.00 0.00 C ATOM 699 C ALA A 101 31.825 28.564 22.754 1.00 0.00 C ATOM 700 O ALA A 101 31.121 28.803 21.775 1.00 0.00 O ATOM 701 CB ALA A 101 32.167 28.367 25.239 1.00 0.00 C ATOM 0 H ALA A 101 31.244 26.178 24.683 1.00 0.00 H new ATOM 0 HA ALA A 101 30.330 28.831 24.248 1.00 0.00 H new ATOM 0 HB1 ALA A 101 32.497 29.405 25.270 1.00 0.00 H new ATOM 0 HB2 ALA A 101 31.675 28.115 26.178 1.00 0.00 H new ATOM 0 HB3 ALA A 101 33.029 27.716 25.095 1.00 0.00 H new ATOM 704 N GLY A 102 33.158 28.637 22.717 1.00 0.00 N ATOM 705 CA GLY A 102 33.882 28.993 21.512 1.00 0.00 C ATOM 706 C GLY A 102 35.295 29.414 21.893 1.00 0.00 C ATOM 707 O GLY A 102 35.851 30.327 21.284 1.00 0.00 O ATOM 0 H GLY A 102 33.756 28.450 23.522 1.00 0.00 H new ATOM 0 HA2 GLY A 102 33.913 28.146 20.826 1.00 0.00 H new ATOM 0 HA3 GLY A 102 33.374 29.805 20.993 1.00 0.00 H new ATOM 711 N ASP A 103 35.850 28.738 22.906 1.00 0.00 N ATOM 712 CA ASP A 103 37.183 29.004 23.422 1.00 0.00 C ATOM 713 C ASP A 103 38.153 27.946 22.916 1.00 0.00 C ATOM 714 O ASP A 103 38.336 26.915 23.558 1.00 0.00 O ATOM 715 CB ASP A 103 37.134 28.980 24.947 1.00 0.00 C ATOM 0 H ASP A 103 35.371 27.980 23.393 1.00 0.00 H new ATOM 0 HA ASP A 103 37.524 29.982 23.081 1.00 0.00 H new ATOM 718 N GLY A 104 38.778 28.203 21.765 1.00 0.00 N ATOM 719 CA GLY A 104 39.731 27.276 21.188 1.00 0.00 C ATOM 720 C GLY A 104 40.875 27.021 22.161 1.00 0.00 C ATOM 721 O GLY A 104 41.511 25.969 22.110 1.00 0.00 O ATOM 0 H GLY A 104 38.635 29.052 21.218 1.00 0.00 H new ATOM 0 HA2 GLY A 104 39.234 26.337 20.946 1.00 0.00 H new ATOM 0 HA3 GLY A 104 40.122 27.680 20.254 1.00 0.00 H new ATOM 725 N ALA A 105 41.124 27.976 23.061 1.00 0.00 N ATOM 726 CA ALA A 105 42.182 27.859 24.046 1.00 0.00 C ATOM 727 C ALA A 105 41.662 26.990 25.181 1.00 0.00 C ATOM 728 O ALA A 105 42.415 26.247 25.806 1.00 0.00 O ATOM 729 CB ALA A 105 42.559 29.248 24.553 1.00 0.00 C ATOM 0 H ALA A 105 40.595 28.846 23.121 1.00 0.00 H new ATOM 0 HA ALA A 105 43.074 27.405 23.614 1.00 0.00 H new ATOM 0 HB1 ALA A 105 43.354 29.162 25.294 1.00 0.00 H new ATOM 0 HB2 ALA A 105 42.905 29.858 23.719 1.00 0.00 H new ATOM 0 HB3 ALA A 105 41.688 29.718 25.009 1.00 0.00 H new ATOM 732 N ALA A 106 40.354 27.095 25.427 1.00 0.00 N ATOM 733 CA ALA A 106 39.699 26.333 26.468 1.00 0.00 C ATOM 734 C ALA A 106 39.553 24.890 26.012 1.00 0.00 C ATOM 735 O ALA A 106 39.618 23.973 26.828 1.00 0.00 O ATOM 736 CB ALA A 106 38.335 26.950 26.765 1.00 0.00 C ATOM 0 H ALA A 106 39.730 27.711 24.907 1.00 0.00 H new ATOM 0 HA ALA A 106 40.294 26.353 27.381 1.00 0.00 H new ATOM 0 HB1 ALA A 106 37.840 26.377 27.549 1.00 0.00 H new ATOM 0 HB2 ALA A 106 38.466 27.980 27.096 1.00 0.00 H new ATOM 0 HB3 ALA A 106 37.724 26.933 25.863 1.00 0.00 H new ATOM 739 N PHE A 107 39.371 24.690 24.703 1.00 0.00 N ATOM 740 CA PHE A 107 39.223 23.365 24.134 1.00 0.00 C ATOM 741 C PHE A 107 40.593 22.720 23.976 1.00 0.00 C ATOM 742 O PHE A 107 40.713 21.498 24.022 1.00 0.00 O ATOM 743 CB PHE A 107 38.524 23.475 22.782 1.00 0.00 C ATOM 0 H PHE A 107 39.324 25.444 24.018 1.00 0.00 H new ATOM 0 HA PHE A 107 38.621 22.742 24.795 1.00 0.00 H new ATOM 746 N GLY A 108 41.629 23.544 23.798 1.00 0.00 N ATOM 747 CA GLY A 108 42.983 23.048 23.644 1.00 0.00 C ATOM 748 C GLY A 108 43.537 22.652 25.006 1.00 0.00 C ATOM 749 O GLY A 108 44.114 21.576 25.162 1.00 0.00 O ATOM 0 H GLY A 108 41.547 24.560 23.758 1.00 0.00 H new ATOM 0 HA2 GLY A 108 42.993 22.190 22.972 1.00 0.00 H new ATOM 0 HA3 GLY A 108 43.613 23.814 23.192 1.00 0.00 H new ATOM 753 N ALA A 109 43.335 23.516 26.003 1.00 0.00 N ATOM 754 CA ALA A 109 43.808 23.251 27.345 1.00 0.00 C ATOM 755 C ALA A 109 42.949 22.135 27.914 1.00 0.00 C ATOM 756 O ALA A 109 43.438 21.263 28.628 1.00 0.00 O ATOM 757 CB ALA A 109 43.695 24.517 28.190 1.00 0.00 C ATOM 0 H ALA A 109 42.845 24.404 25.896 1.00 0.00 H new ATOM 0 HA ALA A 109 44.856 22.950 27.344 1.00 0.00 H new ATOM 0 HB1 ALA A 109 44.052 24.314 29.200 1.00 0.00 H new ATOM 0 HB2 ALA A 109 44.299 25.307 27.744 1.00 0.00 H new ATOM 0 HB3 ALA A 109 42.653 24.835 28.231 1.00 0.00 H new ATOM 760 N ALA A 110 41.660 22.166 27.571 1.00 0.00 N ATOM 761 CA ALA A 110 40.722 21.159 28.015 1.00 0.00 C ATOM 762 C ALA A 110 41.129 19.807 27.447 1.00 0.00 C ATOM 763 O ALA A 110 41.289 18.840 28.191 1.00 0.00 O ATOM 764 CB ALA A 110 39.315 21.536 27.559 1.00 0.00 C ATOM 0 H ALA A 110 41.249 22.889 26.981 1.00 0.00 H new ATOM 0 HA ALA A 110 40.728 21.098 29.103 1.00 0.00 H new ATOM 0 HB1 ALA A 110 38.608 20.777 27.894 1.00 0.00 H new ATOM 0 HB2 ALA A 110 39.040 22.501 27.986 1.00 0.00 H new ATOM 0 HB3 ALA A 110 39.290 21.600 26.471 1.00 0.00 H new ATOM 767 N LEU A 111 41.308 19.731 26.125 1.00 0.00 N ATOM 768 CA LEU A 111 41.686 18.504 25.462 1.00 0.00 C ATOM 769 C LEU A 111 43.003 17.973 25.999 1.00 0.00 C ATOM 770 O LEU A 111 43.209 16.762 26.017 1.00 0.00 O ATOM 771 CB LEU A 111 41.786 18.755 23.960 1.00 0.00 C ATOM 0 H LEU A 111 41.192 20.524 25.495 1.00 0.00 H new ATOM 0 HA LEU A 111 40.923 17.750 25.657 1.00 0.00 H new ATOM 774 N GLN A 112 43.904 18.854 26.449 1.00 0.00 N ATOM 775 CA GLN A 112 45.180 18.432 26.985 1.00 0.00 C ATOM 776 C GLN A 112 44.944 17.834 28.361 1.00 0.00 C ATOM 777 O GLN A 112 45.649 16.915 28.767 1.00 0.00 O ATOM 778 CB GLN A 112 46.118 19.633 27.067 1.00 0.00 C ATOM 0 H GLN A 112 43.762 19.864 26.448 1.00 0.00 H new ATOM 0 HA GLN A 112 45.642 17.684 26.341 1.00 0.00 H new ATOM 781 N LYS A 113 43.940 18.349 29.075 1.00 0.00 N ATOM 782 CA LYS A 113 43.605 17.835 30.387 1.00 0.00 C ATOM 783 C LYS A 113 43.255 16.365 30.217 1.00 0.00 C ATOM 784 O LYS A 113 43.736 15.510 30.959 1.00 0.00 O ATOM 785 CB LYS A 113 42.427 18.618 30.959 1.00 0.00 C ATOM 0 H LYS A 113 43.351 19.120 28.760 1.00 0.00 H new ATOM 0 HA LYS A 113 44.438 17.942 31.082 1.00 0.00 H new ATOM 788 N LEU A 114 42.429 16.078 29.209 1.00 0.00 N ATOM 789 CA LEU A 114 42.035 14.717 28.909 1.00 0.00 C ATOM 790 C LEU A 114 43.252 13.960 28.393 1.00 0.00 C ATOM 791 O LEU A 114 43.340 12.742 28.538 1.00 0.00 O ATOM 792 CB LEU A 114 40.930 14.729 27.857 1.00 0.00 C ATOM 0 H LEU A 114 42.023 16.779 28.589 1.00 0.00 H new ATOM 0 HA LEU A 114 41.657 14.225 29.805 1.00 0.00 H new ATOM 795 N GLY A 115 44.199 14.696 27.803 1.00 0.00 N ATOM 796 CA GLY A 115 45.401 14.106 27.251 1.00 0.00 C ATOM 797 C GLY A 115 46.298 13.553 28.350 1.00 0.00 C ATOM 798 O GLY A 115 46.666 12.381 28.316 1.00 0.00 O ATOM 0 H GLY A 115 44.146 15.709 27.700 1.00 0.00 H new ATOM 0 HA2 GLY A 115 45.133 13.307 26.560 1.00 0.00 H new ATOM 0 HA3 GLY A 115 45.946 14.855 26.676 1.00 0.00 H new ATOM 802 N GLY A 116 46.653 14.395 29.323 1.00 0.00 N ATOM 803 CA GLY A 116 47.517 13.999 30.414 1.00 0.00 C ATOM 804 C GLY A 116 46.810 13.004 31.318 1.00 0.00 C ATOM 805 O GLY A 116 47.460 12.203 31.984 1.00 0.00 O ATOM 0 H GLY A 116 46.345 15.366 29.368 1.00 0.00 H new ATOM 0 HA2 GLY A 116 48.431 13.555 30.019 1.00 0.00 H new ATOM 0 HA3 GLY A 116 47.812 14.877 30.989 1.00 0.00 H new ATOM 809 N THR A 117 45.476 13.043 31.339 1.00 0.00 N ATOM 810 CA THR A 117 44.712 12.128 32.162 1.00 0.00 C ATOM 811 C THR A 117 44.949 10.709 31.666 1.00 0.00 C ATOM 812 O THR A 117 45.495 9.875 32.386 1.00 0.00 O ATOM 813 CB THR A 117 43.231 12.492 32.092 1.00 0.00 C ATOM 0 H THR A 117 44.913 13.698 30.796 1.00 0.00 H new ATOM 0 HA THR A 117 45.030 12.197 33.202 1.00 0.00 H new ATOM 816 N CYS A 118 44.543 10.441 30.422 1.00 0.00 N ATOM 817 CA CYS A 118 44.712 9.131 29.827 1.00 0.00 C ATOM 818 C CYS A 118 46.193 8.796 29.723 1.00 0.00 C ATOM 819 O CYS A 118 46.608 7.700 30.093 1.00 0.00 O ATOM 820 CB CYS A 118 44.058 9.116 28.448 1.00 0.00 C ATOM 0 H CYS A 118 44.094 11.124 29.812 1.00 0.00 H new ATOM 0 HA CYS A 118 44.234 8.378 30.454 1.00 0.00 H new ATOM 823 N LYS A 119 46.988 9.745 29.220 1.00 0.00 N ATOM 824 CA LYS A 119 48.416 9.553 29.059 1.00 0.00 C ATOM 825 C LYS A 119 49.054 9.109 30.368 1.00 0.00 C ATOM 826 O LYS A 119 49.632 8.027 30.429 1.00 0.00 O ATOM 827 CB LYS A 119 49.046 10.853 28.566 1.00 0.00 C ATOM 0 H LYS A 119 46.654 10.660 28.917 1.00 0.00 H new ATOM 0 HA LYS A 119 48.590 8.767 28.324 1.00 0.00 H new ATOM 830 N ALA A 120 48.960 9.958 31.398 1.00 0.00 N ATOM 831 CA ALA A 120 49.524 9.667 32.706 1.00 0.00 C ATOM 832 C ALA A 120 49.139 8.268 33.169 1.00 0.00 C ATOM 833 O ALA A 120 49.970 7.547 33.714 1.00 0.00 O ATOM 834 CB ALA A 120 49.050 10.709 33.715 1.00 0.00 C ATOM 0 H ALA A 120 48.491 10.862 31.341 1.00 0.00 H new ATOM 0 HA ALA A 120 50.611 9.708 32.631 1.00 0.00 H new ATOM 0 HB1 ALA A 120 49.475 10.487 34.694 1.00 0.00 H new ATOM 0 HB2 ALA A 120 49.374 11.699 33.395 1.00 0.00 H new ATOM 0 HB3 ALA A 120 47.962 10.686 33.778 1.00 0.00 H new ATOM 837 N CYS A 121 47.880 7.884 32.947 1.00 0.00 N ATOM 838 CA CYS A 121 47.410 6.568 33.333 1.00 0.00 C ATOM 839 C CYS A 121 48.288 5.490 32.707 1.00 0.00 C ATOM 840 O CYS A 121 48.771 4.597 33.402 1.00 0.00 O ATOM 841 CB CYS A 121 45.957 6.403 32.895 1.00 0.00 C ATOM 0 H CYS A 121 47.174 8.471 32.502 1.00 0.00 H new ATOM 0 HA CYS A 121 47.468 6.464 34.416 1.00 0.00 H new ATOM 844 N HIS A 122 48.501 5.579 31.392 1.00 0.00 N ATOM 845 CA HIS A 122 49.304 4.606 30.675 1.00 0.00 C ATOM 846 C HIS A 122 50.774 4.729 31.055 1.00 0.00 C ATOM 847 O HIS A 122 51.373 3.763 31.524 1.00 0.00 O ATOM 848 CB HIS A 122 49.119 4.807 29.174 1.00 0.00 C ATOM 0 H HIS A 122 48.122 6.323 30.806 1.00 0.00 H new ATOM 0 HA HIS A 122 48.974 3.603 30.948 1.00 0.00 H new ATOM 851 N ASP A 123 51.351 5.915 30.840 1.00 0.00 N ATOM 852 CA ASP A 123 52.746 6.171 31.150 1.00 0.00 C ATOM 853 C ASP A 123 53.054 5.766 32.585 1.00 0.00 C ATOM 854 O ASP A 123 54.177 5.377 32.895 1.00 0.00 O ATOM 855 CB ASP A 123 53.048 7.651 30.934 1.00 0.00 C ATOM 0 H ASP A 123 50.859 6.718 30.447 1.00 0.00 H new ATOM 0 HA ASP A 123 53.377 5.577 30.489 1.00 0.00 H new ATOM 858 N ASP A 124 52.048 5.846 33.457 1.00 0.00 N ATOM 859 CA ASP A 124 52.211 5.478 34.848 1.00 0.00 C ATOM 860 C ASP A 124 52.426 3.975 34.927 1.00 0.00 C ATOM 861 O ASP A 124 53.422 3.514 35.482 1.00 0.00 O ATOM 862 CB ASP A 124 50.972 5.893 35.635 1.00 0.00 C ATOM 0 H ASP A 124 51.110 6.165 33.214 1.00 0.00 H new ATOM 0 HA ASP A 124 53.073 5.987 35.280 1.00 0.00 H new ATOM 865 N TYR A 125 51.488 3.211 34.361 1.00 0.00 N ATOM 866 CA TYR A 125 51.578 1.766 34.355 1.00 0.00 C ATOM 867 C TYR A 125 52.592 1.320 33.310 1.00 0.00 C ATOM 868 O TYR A 125 53.615 0.728 33.648 1.00 0.00 O ATOM 869 CB TYR A 125 50.204 1.177 34.054 1.00 0.00 C ATOM 0 H TYR A 125 50.656 3.581 33.901 1.00 0.00 H new ATOM 0 HA TYR A 125 51.908 1.412 35.332 1.00 0.00 H new ATOM 872 N ARG A 126 52.303 1.605 32.038 1.00 0.00 N ATOM 873 CA ARG A 126 53.183 1.238 30.947 1.00 0.00 C ATOM 874 C ARG A 126 52.524 1.581 29.618 1.00 0.00 C ATOM 875 O ARG A 126 51.313 1.784 29.561 1.00 0.00 O ATOM 876 CB ARG A 126 53.498 -0.253 31.025 1.00 0.00 C ATOM 0 H ARG A 126 51.457 2.093 31.746 1.00 0.00 H new ATOM 0 HA ARG A 126 54.116 1.796 31.024 1.00 0.00 H new ATOM 879 N GLU A 127 53.326 1.650 28.553 1.00 0.00 N ATOM 880 CA GLU A 127 52.827 1.969 27.230 1.00 0.00 C ATOM 881 C GLU A 127 52.171 0.741 26.614 1.00 0.00 C ATOM 882 O GLU A 127 50.977 0.752 26.323 1.00 0.00 O ATOM 883 CB GLU A 127 53.980 2.458 26.358 1.00 0.00 C ATOM 0 H GLU A 127 54.332 1.486 28.591 1.00 0.00 H new ATOM 0 HA GLU A 127 52.079 2.759 27.301 1.00 0.00 H new ATOM 886 N GLU A 128 52.957 -0.320 26.414 1.00 0.00 N ATOM 887 CA GLU A 128 52.452 -1.548 25.833 1.00 0.00 C ATOM 888 C GLU A 128 53.502 -2.644 25.952 1.00 0.00 C ATOM 889 O GLU A 128 53.935 -3.203 24.947 1.00 0.00 O ATOM 890 CB GLU A 128 52.088 -1.306 24.371 1.00 0.00 C ATOM 0 H GLU A 128 53.949 -0.344 26.650 1.00 0.00 H new ATOM 0 HA GLU A 128 51.558 -1.868 26.369 1.00 0.00 H new ATOM 893 N ASP A 129 53.912 -2.949 27.186 1.00 0.00 N ATOM 894 CA ASP A 129 54.906 -3.975 27.430 1.00 0.00 C ATOM 895 C ASP A 129 56.257 -3.521 26.897 1.00 0.00 C ATOM 896 O ASP A 129 57.260 -3.787 27.594 1.00 0.00 O ATOM 897 CB ASP A 129 54.469 -5.275 26.761 1.00 0.00 C ATOM 0 H ASP A 129 53.564 -2.493 28.029 1.00 0.00 H new ATOM 0 HA ASP A 129 55.001 -4.148 28.502 1.00 0.00 H new TER 900 ASP A 129 HETATM 901 FE HEM A 130 43.417 4.391 28.263 1.00 0.00 FE