USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=1 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+ -124:sc= 0.189 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 40.667 -19.556 19.532 1.00 0.00 N ATOM 2 CA ALA A 1 41.698 -18.774 20.184 1.00 0.00 C ATOM 3 C ALA A 1 41.082 -17.991 21.334 1.00 0.00 C ATOM 4 O ALA A 1 39.880 -18.081 21.575 1.00 0.00 O ATOM 5 CB ALA A 1 42.336 -17.833 19.166 1.00 0.00 C ATOM 0 H1 ALA A 1 40.943 -20.559 19.526 1.00 0.00 H new ATOM 0 H2 ALA A 1 39.770 -19.447 20.047 1.00 0.00 H new ATOM 0 H3 ALA A 1 40.547 -19.225 18.554 1.00 0.00 H new ATOM 0 HA ALA A 1 42.472 -19.429 20.584 1.00 0.00 H new ATOM 0 HB1 ALA A 1 43.112 -17.243 19.653 1.00 0.00 H new ATOM 0 HB2 ALA A 1 42.777 -18.416 18.358 1.00 0.00 H new ATOM 0 HB3 ALA A 1 41.575 -17.167 18.759 1.00 0.00 H new ATOM 7 N ASP A 2 41.909 -17.222 22.046 1.00 0.00 N ATOM 8 CA ASP A 2 41.444 -16.428 23.165 1.00 0.00 C ATOM 9 C ASP A 2 40.319 -15.509 22.710 1.00 0.00 C ATOM 10 O ASP A 2 39.204 -15.595 23.220 1.00 0.00 O ATOM 11 CB ASP A 2 42.607 -15.619 23.733 1.00 0.00 C ATOM 0 H ASP A 2 42.908 -17.138 21.859 1.00 0.00 H new ATOM 0 HA ASP A 2 41.059 -17.083 23.947 1.00 0.00 H new ATOM 14 N THR A 3 40.617 -14.634 21.745 1.00 0.00 N ATOM 15 CA THR A 3 39.640 -13.701 21.217 1.00 0.00 C ATOM 16 C THR A 3 38.992 -12.912 22.346 1.00 0.00 C ATOM 17 O THR A 3 37.774 -12.946 22.506 1.00 0.00 O ATOM 18 CB THR A 3 38.587 -14.467 20.421 1.00 0.00 C ATOM 0 H THR A 3 41.539 -14.559 21.316 1.00 0.00 H new ATOM 0 HA THR A 3 40.140 -12.992 20.557 1.00 0.00 H new ATOM 21 N LYS A 4 39.806 -12.202 23.130 1.00 0.00 N ATOM 22 CA LYS A 4 39.308 -11.409 24.236 1.00 0.00 C ATOM 23 C LYS A 4 38.252 -10.431 23.740 1.00 0.00 C ATOM 24 O LYS A 4 38.583 -9.382 23.192 1.00 0.00 O ATOM 25 CB LYS A 4 40.470 -10.663 24.887 1.00 0.00 C ATOM 0 H LYS A 4 40.818 -12.166 23.011 1.00 0.00 H new ATOM 0 HA LYS A 4 38.848 -12.062 24.977 1.00 0.00 H new ATOM 28 N GLU A 5 36.978 -10.776 23.938 1.00 0.00 N ATOM 29 CA GLU A 5 35.880 -9.930 23.515 1.00 0.00 C ATOM 30 C GLU A 5 35.816 -8.688 24.393 1.00 0.00 C ATOM 31 O GLU A 5 35.776 -7.569 23.886 1.00 0.00 O ATOM 32 CB GLU A 5 34.575 -10.717 23.599 1.00 0.00 C ATOM 0 H GLU A 5 36.689 -11.642 24.392 1.00 0.00 H new ATOM 0 HA GLU A 5 36.036 -9.613 22.484 1.00 0.00 H new ATOM 35 N VAL A 6 35.811 -8.888 25.713 1.00 0.00 N ATOM 36 CA VAL A 6 35.746 -7.791 26.658 1.00 0.00 C ATOM 37 C VAL A 6 36.959 -6.885 26.503 1.00 0.00 C ATOM 38 O VAL A 6 36.827 -5.664 26.529 1.00 0.00 O ATOM 39 CB VAL A 6 35.665 -8.348 28.076 1.00 0.00 C ATOM 0 H VAL A 6 35.852 -9.811 26.146 1.00 0.00 H new ATOM 0 HA VAL A 6 34.855 -7.196 26.460 1.00 0.00 H new ATOM 42 N LEU A 7 38.142 -7.481 26.337 1.00 0.00 N ATOM 43 CA LEU A 7 39.362 -6.714 26.178 1.00 0.00 C ATOM 44 C LEU A 7 39.349 -6.020 24.824 1.00 0.00 C ATOM 45 O LEU A 7 39.572 -4.816 24.746 1.00 0.00 O ATOM 46 CB LEU A 7 40.566 -7.644 26.300 1.00 0.00 C ATOM 0 H LEU A 7 38.272 -8.492 26.310 1.00 0.00 H new ATOM 0 HA LEU A 7 39.430 -5.955 26.957 1.00 0.00 H new ATOM 49 N GLU A 8 39.094 -6.794 23.768 1.00 0.00 N ATOM 50 CA GLU A 8 39.039 -6.272 22.413 1.00 0.00 C ATOM 51 C GLU A 8 38.110 -5.067 22.332 1.00 0.00 C ATOM 52 O GLU A 8 38.467 -4.040 21.755 1.00 0.00 O ATOM 53 CB GLU A 8 38.578 -7.375 21.464 1.00 0.00 C ATOM 0 H GLU A 8 38.921 -7.797 23.834 1.00 0.00 H new ATOM 0 HA GLU A 8 40.035 -5.940 22.119 1.00 0.00 H new ATOM 56 N ALA A 9 36.917 -5.181 22.918 1.00 0.00 N ATOM 57 CA ALA A 9 35.966 -4.091 22.917 1.00 0.00 C ATOM 58 C ALA A 9 36.622 -2.938 23.650 1.00 0.00 C ATOM 59 O ALA A 9 36.537 -1.790 23.219 1.00 0.00 O ATOM 60 CB ALA A 9 34.678 -4.527 23.608 1.00 0.00 C ATOM 0 H ALA A 9 36.595 -6.022 23.397 1.00 0.00 H new ATOM 0 HA ALA A 9 35.700 -3.790 21.904 1.00 0.00 H new ATOM 0 HB1 ALA A 9 33.966 -3.702 23.604 1.00 0.00 H new ATOM 0 HB2 ALA A 9 34.251 -5.378 23.078 1.00 0.00 H new ATOM 0 HB3 ALA A 9 34.896 -4.813 24.637 1.00 0.00 H new ATOM 63 N ARG A 10 37.299 -3.257 24.755 1.00 0.00 N ATOM 64 CA ARG A 10 38.007 -2.261 25.526 1.00 0.00 C ATOM 65 C ARG A 10 39.045 -1.607 24.626 1.00 0.00 C ATOM 66 O ARG A 10 39.369 -0.434 24.803 1.00 0.00 O ATOM 67 CB ARG A 10 38.670 -2.925 26.729 1.00 0.00 C ATOM 0 H ARG A 10 37.365 -4.204 25.128 1.00 0.00 H new ATOM 0 HA ARG A 10 37.320 -1.499 25.895 1.00 0.00 H new ATOM 70 N GLU A 11 39.557 -2.358 23.646 1.00 0.00 N ATOM 71 CA GLU A 11 40.543 -1.824 22.729 1.00 0.00 C ATOM 72 C GLU A 11 39.868 -0.732 21.919 1.00 0.00 C ATOM 73 O GLU A 11 40.462 0.306 21.636 1.00 0.00 O ATOM 74 CB GLU A 11 41.057 -2.939 21.824 1.00 0.00 C ATOM 0 H GLU A 11 39.301 -3.331 23.476 1.00 0.00 H new ATOM 0 HA GLU A 11 41.398 -1.412 23.265 1.00 0.00 H new ATOM 77 N ALA A 12 38.606 -0.976 21.565 1.00 0.00 N ATOM 78 CA ALA A 12 37.817 -0.032 20.796 1.00 0.00 C ATOM 79 C ALA A 12 37.578 1.218 21.632 1.00 0.00 C ATOM 80 O ALA A 12 37.754 2.335 21.153 1.00 0.00 O ATOM 81 CB ALA A 12 36.488 -0.681 20.418 1.00 0.00 C ATOM 0 H ALA A 12 38.109 -1.834 21.806 1.00 0.00 H new ATOM 0 HA ALA A 12 38.347 0.247 19.885 1.00 0.00 H new ATOM 0 HB1 ALA A 12 35.890 0.024 19.840 1.00 0.00 H new ATOM 0 HB2 ALA A 12 36.676 -1.573 19.821 1.00 0.00 H new ATOM 0 HB3 ALA A 12 35.948 -0.958 21.323 1.00 0.00 H new ATOM 84 N TYR A 13 37.180 1.017 22.891 1.00 0.00 N ATOM 85 CA TYR A 13 36.917 2.115 23.801 1.00 0.00 C ATOM 86 C TYR A 13 38.168 2.969 23.949 1.00 0.00 C ATOM 87 O TYR A 13 38.078 4.172 24.193 1.00 0.00 O ATOM 88 CB TYR A 13 36.480 1.557 25.152 1.00 0.00 C ATOM 0 H TYR A 13 37.034 0.093 23.298 1.00 0.00 H new ATOM 0 HA TYR A 13 36.118 2.741 23.405 1.00 0.00 H new ATOM 91 N PHE A 14 39.338 2.347 23.783 1.00 0.00 N ATOM 92 CA PHE A 14 40.599 3.049 23.895 1.00 0.00 C ATOM 93 C PHE A 14 40.771 3.934 22.670 1.00 0.00 C ATOM 94 O PHE A 14 41.218 5.073 22.780 1.00 0.00 O ATOM 95 CB PHE A 14 41.737 2.038 24.000 1.00 0.00 C ATOM 0 H PHE A 14 39.428 1.354 23.570 1.00 0.00 H new ATOM 0 HA PHE A 14 40.612 3.671 24.790 1.00 0.00 H new ATOM 98 N LYS A 15 40.403 3.404 21.501 1.00 0.00 N ATOM 99 CA LYS A 15 40.499 4.145 20.260 1.00 0.00 C ATOM 100 C LYS A 15 39.583 5.358 20.327 1.00 0.00 C ATOM 101 O LYS A 15 39.906 6.412 19.785 1.00 0.00 O ATOM 102 CB LYS A 15 40.110 3.237 19.097 1.00 0.00 C ATOM 0 H LYS A 15 40.035 2.458 21.397 1.00 0.00 H new ATOM 0 HA LYS A 15 41.522 4.488 20.106 1.00 0.00 H new ATOM 105 N SER A 16 38.441 5.209 21.004 1.00 0.00 N ATOM 106 CA SER A 16 37.487 6.291 21.146 1.00 0.00 C ATOM 107 C SER A 16 38.124 7.434 21.923 1.00 0.00 C ATOM 108 O SER A 16 38.324 8.519 21.381 1.00 0.00 O ATOM 109 CB SER A 16 36.241 5.778 21.862 1.00 0.00 C ATOM 0 H SER A 16 38.162 4.341 21.461 1.00 0.00 H new ATOM 0 HA SER A 16 37.197 6.661 20.163 1.00 0.00 H new ATOM 112 N LEU A 17 38.435 7.194 23.199 1.00 0.00 N ATOM 113 CA LEU A 17 39.054 8.204 24.035 1.00 0.00 C ATOM 114 C LEU A 17 40.339 8.695 23.381 1.00 0.00 C ATOM 115 O LEU A 17 40.651 9.884 23.423 1.00 0.00 O ATOM 116 CB LEU A 17 39.342 7.613 25.412 1.00 0.00 C ATOM 0 H LEU A 17 38.265 6.305 23.669 1.00 0.00 H new ATOM 0 HA LEU A 17 38.379 9.052 24.150 1.00 0.00 H new ATOM 119 N GLY A 18 41.078 7.772 22.763 1.00 0.00 N ATOM 120 CA GLY A 18 42.325 8.096 22.103 1.00 0.00 C ATOM 121 C GLY A 18 42.064 8.945 20.867 1.00 0.00 C ATOM 122 O GLY A 18 42.952 9.661 20.408 1.00 0.00 O ATOM 0 H GLY A 18 40.823 6.786 22.711 1.00 0.00 H new ATOM 0 HA2 GLY A 18 42.979 8.633 22.790 1.00 0.00 H new ATOM 0 HA3 GLY A 18 42.843 7.180 21.820 1.00 0.00 H new ATOM 126 N GLY A 19 40.842 8.884 20.332 1.00 0.00 N ATOM 127 CA GLY A 19 40.483 9.650 19.155 1.00 0.00 C ATOM 128 C GLY A 19 40.263 11.095 19.571 1.00 0.00 C ATOM 129 O GLY A 19 40.672 12.017 18.869 1.00 0.00 O ATOM 0 H GLY A 19 40.088 8.307 20.704 1.00 0.00 H new ATOM 0 HA2 GLY A 19 41.273 9.587 18.406 1.00 0.00 H new ATOM 0 HA3 GLY A 19 39.579 9.245 18.700 1.00 0.00 H new ATOM 133 N SER A 20 39.624 11.284 20.728 1.00 0.00 N ATOM 134 CA SER A 20 39.389 12.614 21.253 1.00 0.00 C ATOM 135 C SER A 20 40.753 13.278 21.413 1.00 0.00 C ATOM 136 O SER A 20 40.953 14.400 20.955 1.00 0.00 O ATOM 137 CB SER A 20 38.676 12.510 22.598 1.00 0.00 C ATOM 0 H SER A 20 39.264 10.529 21.312 1.00 0.00 H new ATOM 0 HA SER A 20 38.759 13.203 20.586 1.00 0.00 H new ATOM 140 N MET A 21 41.697 12.576 22.055 1.00 0.00 N ATOM 141 CA MET A 21 43.046 13.061 22.267 1.00 0.00 C ATOM 142 C MET A 21 43.700 13.553 20.978 1.00 0.00 C ATOM 143 O MET A 21 44.202 14.672 20.929 1.00 0.00 O ATOM 144 CB MET A 21 43.881 11.938 22.876 1.00 0.00 C ATOM 0 H MET A 21 41.532 11.647 22.442 1.00 0.00 H new ATOM 0 HA MET A 21 42.995 13.915 22.942 1.00 0.00 H new ATOM 147 N LYS A 22 43.709 12.711 19.941 1.00 0.00 N ATOM 148 CA LYS A 22 44.331 13.052 18.671 1.00 0.00 C ATOM 149 C LYS A 22 43.675 14.285 18.059 1.00 0.00 C ATOM 150 O LYS A 22 44.342 15.281 17.787 1.00 0.00 O ATOM 151 CB LYS A 22 44.224 11.862 17.721 1.00 0.00 C ATOM 0 H LYS A 22 43.287 11.782 19.963 1.00 0.00 H new ATOM 0 HA LYS A 22 45.382 13.285 18.842 1.00 0.00 H new ATOM 154 N ALA A 23 42.359 14.207 17.853 1.00 0.00 N ATOM 155 CA ALA A 23 41.606 15.319 17.290 1.00 0.00 C ATOM 156 C ALA A 23 41.752 16.558 18.176 1.00 0.00 C ATOM 157 O ALA A 23 41.574 17.686 17.720 1.00 0.00 O ATOM 158 CB ALA A 23 40.139 14.920 17.160 1.00 0.00 C ATOM 0 H ALA A 23 41.797 13.384 18.069 1.00 0.00 H new ATOM 0 HA ALA A 23 41.998 15.561 16.302 1.00 0.00 H new ATOM 0 HB1 ALA A 23 39.572 15.750 16.739 1.00 0.00 H new ATOM 0 HB2 ALA A 23 40.054 14.053 16.505 1.00 0.00 H new ATOM 0 HB3 ALA A 23 39.741 14.671 18.144 1.00 0.00 H new ATOM 161 N MET A 24 42.092 16.322 19.444 1.00 0.00 N ATOM 162 CA MET A 24 42.266 17.378 20.420 1.00 0.00 C ATOM 163 C MET A 24 43.638 18.015 20.252 1.00 0.00 C ATOM 164 O MET A 24 43.772 19.236 20.306 1.00 0.00 O ATOM 165 CB MET A 24 42.112 16.799 21.824 1.00 0.00 C ATOM 0 H MET A 24 42.253 15.386 19.816 1.00 0.00 H new ATOM 0 HA MET A 24 41.508 18.147 20.269 1.00 0.00 H new ATOM 168 N THR A 25 44.657 17.178 20.042 1.00 0.00 N ATOM 169 CA THR A 25 46.023 17.642 19.892 1.00 0.00 C ATOM 170 C THR A 25 46.246 18.300 18.538 1.00 0.00 C ATOM 171 O THR A 25 46.975 19.287 18.446 1.00 0.00 O ATOM 172 CB THR A 25 46.974 16.463 20.075 1.00 0.00 C ATOM 0 H THR A 25 44.551 16.166 19.973 1.00 0.00 H new ATOM 0 HA THR A 25 46.220 18.397 20.654 1.00 0.00 H new ATOM 175 N GLY A 26 45.617 17.778 17.481 1.00 0.00 N ATOM 176 CA GLY A 26 45.782 18.322 16.148 1.00 0.00 C ATOM 177 C GLY A 26 44.953 19.590 16.020 1.00 0.00 C ATOM 178 O GLY A 26 45.459 20.625 15.594 1.00 0.00 O ATOM 0 H GLY A 26 44.988 16.976 17.533 1.00 0.00 H new ATOM 0 HA2 GLY A 26 46.833 18.540 15.959 1.00 0.00 H new ATOM 0 HA3 GLY A 26 45.468 17.591 15.403 1.00 0.00 H new ATOM 182 N VAL A 27 43.676 19.509 16.400 1.00 0.00 N ATOM 183 CA VAL A 27 42.800 20.659 16.350 1.00 0.00 C ATOM 184 C VAL A 27 43.392 21.721 17.262 1.00 0.00 C ATOM 185 O VAL A 27 43.293 22.915 16.989 1.00 0.00 O ATOM 186 CB VAL A 27 41.404 20.258 16.818 1.00 0.00 C ATOM 0 H VAL A 27 43.235 18.656 16.744 1.00 0.00 H new ATOM 0 HA VAL A 27 42.713 21.046 15.335 1.00 0.00 H new ATOM 189 N ALA A 28 44.025 21.265 18.346 1.00 0.00 N ATOM 190 CA ALA A 28 44.646 22.145 19.313 1.00 0.00 C ATOM 191 C ALA A 28 45.795 22.921 18.683 1.00 0.00 C ATOM 192 O ALA A 28 45.947 24.113 18.939 1.00 0.00 O ATOM 193 CB ALA A 28 45.152 21.313 20.488 1.00 0.00 C ATOM 0 H ALA A 28 44.116 20.274 18.569 1.00 0.00 H new ATOM 0 HA ALA A 28 43.909 22.867 19.663 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.622 21.968 21.222 1.00 0.00 H new ATOM 0 HB2 ALA A 28 44.315 20.790 20.951 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.881 20.586 20.131 1.00 0.00 H new ATOM 196 N LYS A 29 46.607 22.252 17.860 1.00 0.00 N ATOM 197 CA LYS A 29 47.748 22.885 17.228 1.00 0.00 C ATOM 198 C LYS A 29 47.328 23.829 16.107 1.00 0.00 C ATOM 199 O LYS A 29 48.048 24.777 15.801 1.00 0.00 O ATOM 200 CB LYS A 29 48.683 21.806 16.689 1.00 0.00 C ATOM 0 H LYS A 29 46.487 21.268 17.620 1.00 0.00 H new ATOM 0 HA LYS A 29 48.264 23.486 17.976 1.00 0.00 H new ATOM 203 N ALA A 30 46.169 23.577 15.492 1.00 0.00 N ATOM 204 CA ALA A 30 45.681 24.396 14.397 1.00 0.00 C ATOM 205 C ALA A 30 45.285 25.789 14.878 1.00 0.00 C ATOM 206 O ALA A 30 45.933 26.338 15.768 1.00 0.00 O ATOM 207 CB ALA A 30 44.501 23.687 13.740 1.00 0.00 C ATOM 0 H ALA A 30 45.552 22.804 15.742 1.00 0.00 H new ATOM 0 HA ALA A 30 46.479 24.529 13.666 1.00 0.00 H new ATOM 0 HB1 ALA A 30 44.126 24.293 12.915 1.00 0.00 H new ATOM 0 HB2 ALA A 30 44.824 22.718 13.360 1.00 0.00 H new ATOM 0 HB3 ALA A 30 43.709 23.543 14.474 1.00 0.00 H new ATOM 210 N PHE A 31 44.221 26.342 14.279 1.00 0.00 N ATOM 211 CA PHE A 31 43.701 27.662 14.603 1.00 0.00 C ATOM 212 C PHE A 31 42.185 27.565 14.690 1.00 0.00 C ATOM 213 O PHE A 31 41.609 27.839 15.741 1.00 0.00 O ATOM 214 CB PHE A 31 44.120 28.653 13.521 1.00 0.00 C ATOM 0 H PHE A 31 43.694 25.870 13.544 1.00 0.00 H new ATOM 0 HA PHE A 31 44.098 28.012 15.556 1.00 0.00 H new ATOM 217 N ASP A 32 41.546 27.185 13.577 1.00 0.00 N ATOM 218 CA ASP A 32 40.104 27.004 13.512 1.00 0.00 C ATOM 219 C ASP A 32 39.584 26.149 14.667 1.00 0.00 C ATOM 220 O ASP A 32 40.367 25.593 15.434 1.00 0.00 O ATOM 221 CB ASP A 32 39.737 26.371 12.173 1.00 0.00 C ATOM 0 H ASP A 32 42.024 26.995 12.696 1.00 0.00 H new ATOM 0 HA ASP A 32 39.632 27.982 13.601 1.00 0.00 H new ATOM 224 N ALA A 33 38.254 26.011 14.756 1.00 0.00 N ATOM 225 CA ALA A 33 37.583 25.276 15.815 1.00 0.00 C ATOM 226 C ALA A 33 36.835 24.083 15.235 1.00 0.00 C ATOM 227 O ALA A 33 36.273 23.287 15.985 1.00 0.00 O ATOM 228 CB ALA A 33 36.601 26.214 16.511 1.00 0.00 C ATOM 0 H ALA A 33 37.611 26.418 14.077 1.00 0.00 H new ATOM 0 HA ALA A 33 38.319 24.907 16.530 1.00 0.00 H new ATOM 0 HB1 ALA A 33 36.089 25.677 17.309 1.00 0.00 H new ATOM 0 HB2 ALA A 33 37.143 27.060 16.933 1.00 0.00 H new ATOM 0 HB3 ALA A 33 35.869 26.575 15.789 1.00 0.00 H new ATOM 231 N GLU A 34 36.818 23.950 13.905 1.00 0.00 N ATOM 232 CA GLU A 34 36.135 22.850 13.258 1.00 0.00 C ATOM 233 C GLU A 34 36.692 21.536 13.783 1.00 0.00 C ATOM 234 O GLU A 34 35.934 20.645 14.161 1.00 0.00 O ATOM 235 CB GLU A 34 36.324 22.953 11.747 1.00 0.00 C ATOM 0 H GLU A 34 37.274 24.598 13.263 1.00 0.00 H new ATOM 0 HA GLU A 34 35.068 22.891 13.477 1.00 0.00 H new ATOM 238 N ALA A 35 38.022 21.420 13.816 1.00 0.00 N ATOM 239 CA ALA A 35 38.674 20.222 14.301 1.00 0.00 C ATOM 240 C ALA A 35 38.320 20.008 15.765 1.00 0.00 C ATOM 241 O ALA A 35 37.878 18.923 16.138 1.00 0.00 O ATOM 242 CB ALA A 35 40.183 20.357 14.118 1.00 0.00 C ATOM 0 H ALA A 35 38.663 22.151 13.509 1.00 0.00 H new ATOM 0 HA ALA A 35 38.332 19.356 13.734 1.00 0.00 H new ATOM 0 HB1 ALA A 35 40.676 19.456 14.483 1.00 0.00 H new ATOM 0 HB2 ALA A 35 40.411 20.492 13.061 1.00 0.00 H new ATOM 0 HB3 ALA A 35 40.542 21.219 14.680 1.00 0.00 H new ATOM 245 N ALA A 36 38.520 21.043 16.589 1.00 0.00 N ATOM 246 CA ALA A 36 38.225 20.987 18.009 1.00 0.00 C ATOM 247 C ALA A 36 36.825 20.445 18.257 1.00 0.00 C ATOM 248 O ALA A 36 36.664 19.494 19.017 1.00 0.00 O ATOM 249 CB ALA A 36 38.365 22.384 18.606 1.00 0.00 C ATOM 0 H ALA A 36 38.892 21.941 16.280 1.00 0.00 H new ATOM 0 HA ALA A 36 38.932 20.310 18.489 1.00 0.00 H new ATOM 0 HB1 ALA A 36 38.144 22.348 19.673 1.00 0.00 H new ATOM 0 HB2 ALA A 36 39.384 22.742 18.458 1.00 0.00 H new ATOM 0 HB3 ALA A 36 37.667 23.061 18.114 1.00 0.00 H new ATOM 252 N LYS A 37 35.817 21.055 17.627 1.00 0.00 N ATOM 253 CA LYS A 37 34.442 20.619 17.773 1.00 0.00 C ATOM 254 C LYS A 37 34.337 19.135 17.447 1.00 0.00 C ATOM 255 O LYS A 37 33.702 18.378 18.178 1.00 0.00 O ATOM 256 CB LYS A 37 33.548 21.440 16.849 1.00 0.00 C ATOM 0 H LYS A 37 35.938 21.857 17.009 1.00 0.00 H new ATOM 0 HA LYS A 37 34.114 20.770 18.801 1.00 0.00 H new ATOM 259 N VAL A 38 34.975 18.722 16.349 1.00 0.00 N ATOM 260 CA VAL A 38 34.966 17.331 15.941 1.00 0.00 C ATOM 261 C VAL A 38 35.588 16.494 17.049 1.00 0.00 C ATOM 262 O VAL A 38 35.162 15.367 17.309 1.00 0.00 O ATOM 263 CB VAL A 38 35.748 17.178 14.640 1.00 0.00 C ATOM 0 H VAL A 38 35.503 19.339 15.731 1.00 0.00 H new ATOM 0 HA VAL A 38 33.945 16.991 15.768 1.00 0.00 H new ATOM 266 N GLU A 39 36.583 17.061 17.735 1.00 0.00 N ATOM 267 CA GLU A 39 37.250 16.374 18.815 1.00 0.00 C ATOM 268 C GLU A 39 36.235 16.217 19.931 1.00 0.00 C ATOM 269 O GLU A 39 36.132 15.146 20.515 1.00 0.00 O ATOM 270 CB GLU A 39 38.456 17.186 19.277 1.00 0.00 C ATOM 0 H GLU A 39 36.937 18.000 17.551 1.00 0.00 H new ATOM 0 HA GLU A 39 37.618 15.397 18.501 1.00 0.00 H new ATOM 273 N ALA A 40 35.497 17.295 20.211 1.00 0.00 N ATOM 274 CA ALA A 40 34.459 17.286 21.225 1.00 0.00 C ATOM 275 C ALA A 40 33.508 16.126 20.964 1.00 0.00 C ATOM 276 O ALA A 40 33.140 15.406 21.890 1.00 0.00 O ATOM 277 CB ALA A 40 33.711 18.617 21.198 1.00 0.00 C ATOM 0 H ALA A 40 35.608 18.192 19.738 1.00 0.00 H new ATOM 0 HA ALA A 40 34.903 17.157 22.212 1.00 0.00 H new ATOM 0 HB1 ALA A 40 32.931 18.611 21.959 1.00 0.00 H new ATOM 0 HB2 ALA A 40 34.408 19.430 21.399 1.00 0.00 H new ATOM 0 HB3 ALA A 40 33.259 18.761 20.217 1.00 0.00 H new ATOM 280 N ALA A 41 33.102 15.960 19.702 1.00 0.00 N ATOM 281 CA ALA A 41 32.227 14.870 19.312 1.00 0.00 C ATOM 282 C ALA A 41 32.826 13.555 19.796 1.00 0.00 C ATOM 283 O ALA A 41 32.149 12.752 20.438 1.00 0.00 O ATOM 284 CB ALA A 41 32.064 14.867 17.795 1.00 0.00 C ATOM 0 H ALA A 41 33.372 16.575 18.934 1.00 0.00 H new ATOM 0 HA ALA A 41 31.243 14.996 19.763 1.00 0.00 H new ATOM 0 HB1 ALA A 41 31.407 14.048 17.501 1.00 0.00 H new ATOM 0 HB2 ALA A 41 31.630 15.814 17.474 1.00 0.00 H new ATOM 0 HB3 ALA A 41 33.039 14.736 17.325 1.00 0.00 H new ATOM 287 N LYS A 42 34.115 13.350 19.513 1.00 0.00 N ATOM 288 CA LYS A 42 34.794 12.146 19.950 1.00 0.00 C ATOM 289 C LYS A 42 34.783 12.124 21.474 1.00 0.00 C ATOM 290 O LYS A 42 34.645 11.069 22.090 1.00 0.00 O ATOM 291 CB LYS A 42 36.224 12.145 19.415 1.00 0.00 C ATOM 0 H LYS A 42 34.698 14.001 18.987 1.00 0.00 H new ATOM 0 HA LYS A 42 34.291 11.257 19.570 1.00 0.00 H new ATOM 294 N LEU A 43 34.917 13.312 22.068 1.00 0.00 N ATOM 295 CA LEU A 43 34.920 13.470 23.506 1.00 0.00 C ATOM 296 C LEU A 43 33.651 12.860 24.064 1.00 0.00 C ATOM 297 O LEU A 43 33.740 11.870 24.786 1.00 0.00 O ATOM 298 CB LEU A 43 35.040 14.947 23.873 1.00 0.00 C ATOM 0 H LEU A 43 35.026 14.187 21.556 1.00 0.00 H new ATOM 0 HA LEU A 43 35.778 12.957 23.940 1.00 0.00 H new ATOM 301 N GLU A 44 32.498 13.460 23.732 1.00 0.00 N ATOM 302 CA GLU A 44 31.192 12.984 24.159 1.00 0.00 C ATOM 303 C GLU A 44 31.130 11.468 24.068 1.00 0.00 C ATOM 304 O GLU A 44 30.596 10.815 24.962 1.00 0.00 O ATOM 305 CB GLU A 44 30.112 13.621 23.289 1.00 0.00 C ATOM 0 H GLU A 44 32.456 14.298 23.153 1.00 0.00 H new ATOM 0 HA GLU A 44 31.024 13.268 25.198 1.00 0.00 H new ATOM 308 N LYS A 45 31.697 10.915 22.992 1.00 0.00 N ATOM 309 CA LYS A 45 31.768 9.476 22.832 1.00 0.00 C ATOM 310 C LYS A 45 32.464 8.906 24.065 1.00 0.00 C ATOM 311 O LYS A 45 32.041 7.892 24.615 1.00 0.00 O ATOM 312 CB LYS A 45 32.544 9.140 21.562 1.00 0.00 C ATOM 0 H LYS A 45 32.110 11.447 22.226 1.00 0.00 H new ATOM 0 HA LYS A 45 30.772 9.042 22.739 1.00 0.00 H new ATOM 315 N ILE A 46 33.526 9.590 24.499 1.00 0.00 N ATOM 316 CA ILE A 46 34.276 9.187 25.677 1.00 0.00 C ATOM 317 C ILE A 46 33.426 9.413 26.925 1.00 0.00 C ATOM 318 O ILE A 46 33.342 8.547 27.793 1.00 0.00 O ATOM 319 CB ILE A 46 35.575 9.984 25.753 1.00 0.00 C ATOM 0 H ILE A 46 33.883 10.430 24.044 1.00 0.00 H new ATOM 0 HA ILE A 46 34.524 8.127 25.614 1.00 0.00 H new ATOM 322 N LEU A 47 32.789 10.584 26.996 1.00 0.00 N ATOM 323 CA LEU A 47 31.915 10.921 28.100 1.00 0.00 C ATOM 324 C LEU A 47 30.670 10.056 27.968 1.00 0.00 C ATOM 325 O LEU A 47 30.040 9.706 28.964 1.00 0.00 O ATOM 326 CB LEU A 47 31.562 12.404 28.042 1.00 0.00 C ATOM 0 H LEU A 47 32.870 11.315 26.290 1.00 0.00 H new ATOM 0 HA LEU A 47 32.397 10.736 29.060 1.00 0.00 H new ATOM 329 N ALA A 48 30.339 9.718 26.717 1.00 0.00 N ATOM 330 CA ALA A 48 29.205 8.869 26.423 1.00 0.00 C ATOM 331 C ALA A 48 29.322 7.596 27.249 1.00 0.00 C ATOM 332 O ALA A 48 28.460 7.322 28.082 1.00 0.00 O ATOM 333 CB ALA A 48 29.168 8.552 24.932 1.00 0.00 C ATOM 0 H ALA A 48 30.853 10.029 25.892 1.00 0.00 H new ATOM 0 HA ALA A 48 28.276 9.377 26.681 1.00 0.00 H new ATOM 0 HB1 ALA A 48 28.312 7.912 24.717 1.00 0.00 H new ATOM 0 HB2 ALA A 48 29.080 9.479 24.365 1.00 0.00 H new ATOM 0 HB3 ALA A 48 30.086 8.038 24.646 1.00 0.00 H new ATOM 336 N THR A 49 30.381 6.814 27.014 1.00 0.00 N ATOM 337 CA THR A 49 30.640 5.593 27.750 1.00 0.00 C ATOM 338 C THR A 49 31.306 5.953 29.073 1.00 0.00 C ATOM 339 O THR A 49 32.157 6.841 29.089 1.00 0.00 O ATOM 340 CB THR A 49 31.540 4.680 26.922 1.00 0.00 C ATOM 0 H THR A 49 31.081 7.020 26.301 1.00 0.00 H new ATOM 0 HA THR A 49 29.708 5.065 27.951 1.00 0.00 H new ATOM 343 N ASP A 50 30.910 5.265 30.152 1.00 0.00 N ATOM 344 CA ASP A 50 31.471 5.482 31.482 1.00 0.00 C ATOM 345 C ASP A 50 31.963 4.167 32.069 1.00 0.00 C ATOM 346 O ASP A 50 31.787 3.908 33.257 1.00 0.00 O ATOM 347 CB ASP A 50 30.409 6.107 32.382 1.00 0.00 C ATOM 0 H ASP A 50 30.191 4.543 30.122 1.00 0.00 H new ATOM 0 HA ASP A 50 32.322 6.160 31.410 1.00 0.00 H new ATOM 350 N VAL A 51 32.572 3.334 31.224 1.00 0.00 N ATOM 351 CA VAL A 51 33.015 2.018 31.647 1.00 0.00 C ATOM 352 C VAL A 51 31.696 1.356 32.002 1.00 0.00 C ATOM 353 O VAL A 51 30.684 1.733 31.415 1.00 0.00 O ATOM 354 CB VAL A 51 33.948 2.129 32.849 1.00 0.00 C ATOM 0 H VAL A 51 32.766 3.552 30.247 1.00 0.00 H new ATOM 0 HA VAL A 51 33.588 1.465 30.903 1.00 0.00 H new ATOM 357 N ALA A 52 31.622 0.406 32.938 1.00 0.00 N ATOM 358 CA ALA A 52 30.343 -0.178 33.285 1.00 0.00 C ATOM 359 C ALA A 52 29.782 -0.881 32.060 1.00 0.00 C ATOM 360 O ALA A 52 28.568 -0.974 31.894 1.00 0.00 O ATOM 361 CB ALA A 52 29.395 0.916 33.767 1.00 0.00 C ATOM 0 H ALA A 52 32.420 0.037 33.455 1.00 0.00 H new ATOM 0 HA ALA A 52 30.461 -0.903 34.090 1.00 0.00 H new ATOM 0 HB1 ALA A 52 28.433 0.475 34.028 1.00 0.00 H new ATOM 0 HB2 ALA A 52 29.820 1.405 34.644 1.00 0.00 H new ATOM 0 HB3 ALA A 52 29.254 1.651 32.974 1.00 0.00 H new ATOM 364 N PRO A 53 30.678 -1.359 31.194 1.00 0.00 N ATOM 365 CA PRO A 53 30.282 -2.037 29.978 1.00 0.00 C ATOM 366 C PRO A 53 31.443 -2.854 29.431 1.00 0.00 C ATOM 367 O PRO A 53 31.210 -3.854 28.753 1.00 0.00 O ATOM 368 CB PRO A 53 29.821 -1.005 28.953 1.00 0.00 C ATOM 0 HA PRO A 53 29.459 -2.718 30.192 1.00 0.00 H new ATOM 370 N LEU A 54 32.678 -2.428 29.730 1.00 0.00 N ATOM 371 CA LEU A 54 33.893 -3.090 29.284 1.00 0.00 C ATOM 372 C LEU A 54 34.871 -3.229 30.446 1.00 0.00 C ATOM 373 O LEU A 54 35.764 -4.072 30.383 1.00 0.00 O ATOM 374 CB LEU A 54 34.522 -2.264 28.165 1.00 0.00 C ATOM 0 H LEU A 54 32.854 -1.600 30.298 1.00 0.00 H new ATOM 0 HA LEU A 54 33.653 -4.087 28.914 1.00 0.00 H new ATOM 377 N PHE A 55 34.689 -2.415 31.497 1.00 0.00 N ATOM 378 CA PHE A 55 35.548 -2.415 32.671 1.00 0.00 C ATOM 379 C PHE A 55 34.858 -3.141 33.816 1.00 0.00 C ATOM 380 O PHE A 55 33.781 -2.735 34.247 1.00 0.00 O ATOM 381 CB PHE A 55 35.841 -0.971 33.067 1.00 0.00 C ATOM 0 H PHE A 55 33.931 -1.734 31.547 1.00 0.00 H new ATOM 0 HA PHE A 55 36.482 -2.929 32.446 1.00 0.00 H new ATOM 384 N PRO A 56 35.487 -4.211 34.311 1.00 0.00 N ATOM 385 CA PRO A 56 34.942 -4.990 35.406 1.00 0.00 C ATOM 386 C PRO A 56 35.550 -6.385 35.403 1.00 0.00 C ATOM 387 O PRO A 56 36.714 -6.558 35.048 1.00 0.00 O ATOM 388 CB PRO A 56 35.225 -4.279 36.727 1.00 0.00 C ATOM 0 HA PRO A 56 33.863 -5.087 35.284 1.00 0.00 H new ATOM 390 N ALA A 57 34.751 -7.381 35.791 1.00 0.00 N ATOM 391 CA ALA A 57 35.204 -8.757 35.834 1.00 0.00 C ATOM 392 C ALA A 57 35.688 -9.188 34.457 1.00 0.00 C ATOM 393 O ALA A 57 34.870 -9.501 33.594 1.00 0.00 O ATOM 394 CB ALA A 57 34.060 -9.650 36.306 1.00 0.00 C ATOM 0 H ALA A 57 33.782 -7.250 36.080 1.00 0.00 H new ATOM 0 HA ALA A 57 36.036 -8.848 36.533 1.00 0.00 H new ATOM 0 HB1 ALA A 57 34.397 -10.686 36.340 1.00 0.00 H new ATOM 0 HB2 ALA A 57 33.743 -9.339 37.301 1.00 0.00 H new ATOM 0 HB3 ALA A 57 33.222 -9.563 35.615 1.00 0.00 H new ATOM 397 N GLY A 58 37.013 -9.200 34.271 1.00 0.00 N ATOM 398 CA GLY A 58 37.641 -9.598 33.021 1.00 0.00 C ATOM 399 C GLY A 58 38.106 -8.360 32.273 1.00 0.00 C ATOM 400 O GLY A 58 37.937 -8.262 31.059 1.00 0.00 O ATOM 0 H GLY A 58 37.679 -8.930 34.995 1.00 0.00 H new ATOM 0 HA2 GLY A 58 38.487 -10.256 33.220 1.00 0.00 H new ATOM 0 HA3 GLY A 58 36.936 -10.162 32.410 1.00 0.00 H new ATOM 404 N THR A 59 38.687 -7.413 33.013 1.00 0.00 N ATOM 405 CA THR A 59 39.187 -6.181 32.436 1.00 0.00 C ATOM 406 C THR A 59 40.231 -5.538 33.339 1.00 0.00 C ATOM 407 O THR A 59 40.829 -4.534 32.956 1.00 0.00 O ATOM 408 CB THR A 59 38.021 -5.226 32.193 1.00 0.00 C ATOM 0 H THR A 59 38.820 -7.485 34.022 1.00 0.00 H new ATOM 0 HA THR A 59 39.670 -6.407 31.486 1.00 0.00 H new ATOM 411 N SER A 60 40.464 -6.114 34.524 1.00 0.00 N ATOM 412 CA SER A 60 41.435 -5.591 35.465 1.00 0.00 C ATOM 413 C SER A 60 41.339 -6.357 36.782 1.00 0.00 C ATOM 414 O SER A 60 41.330 -7.586 36.777 1.00 0.00 O ATOM 415 CB SER A 60 41.203 -4.095 35.671 1.00 0.00 C ATOM 0 H SER A 60 39.982 -6.952 34.848 1.00 0.00 H new ATOM 0 HA SER A 60 42.442 -5.724 35.068 1.00 0.00 H new ATOM 418 N SER A 61 41.269 -5.636 37.907 1.00 0.00 N ATOM 419 CA SER A 61 41.180 -6.253 39.216 1.00 0.00 C ATOM 420 C SER A 61 40.015 -7.230 39.262 1.00 0.00 C ATOM 421 O SER A 61 38.874 -6.854 39.006 1.00 0.00 O ATOM 422 CB SER A 61 41.017 -5.168 40.277 1.00 0.00 C ATOM 0 H SER A 61 41.273 -4.616 37.926 1.00 0.00 H new ATOM 0 HA SER A 61 42.095 -6.810 39.416 1.00 0.00 H new ATOM 425 N THR A 62 40.316 -8.488 39.594 1.00 0.00 N ATOM 426 CA THR A 62 39.313 -9.532 39.672 1.00 0.00 C ATOM 427 C THR A 62 39.989 -10.880 39.891 1.00 0.00 C ATOM 428 O THR A 62 39.353 -11.806 40.390 1.00 0.00 O ATOM 429 CB THR A 62 38.495 -9.551 38.383 1.00 0.00 C ATOM 0 H THR A 62 41.261 -8.802 39.814 1.00 0.00 H new ATOM 0 HA THR A 62 38.646 -9.335 40.511 1.00 0.00 H new ATOM 432 N ASP A 63 41.267 -10.969 39.498 1.00 0.00 N ATOM 433 CA ASP A 63 42.073 -12.174 39.621 1.00 0.00 C ATOM 434 C ASP A 63 41.856 -13.038 38.388 1.00 0.00 C ATOM 435 O ASP A 63 41.614 -12.511 37.305 1.00 0.00 O ATOM 436 CB ASP A 63 41.775 -12.931 40.914 1.00 0.00 C ATOM 0 H ASP A 63 41.771 -10.187 39.079 1.00 0.00 H new ATOM 0 HA ASP A 63 43.125 -11.896 39.678 1.00 0.00 H new ATOM 439 N LEU A 64 41.937 -14.362 38.541 1.00 0.00 N ATOM 440 CA LEU A 64 41.759 -15.269 37.425 1.00 0.00 C ATOM 441 C LEU A 64 42.920 -15.101 36.457 1.00 0.00 C ATOM 442 O LEU A 64 42.720 -14.743 35.298 1.00 0.00 O ATOM 443 CB LEU A 64 40.427 -14.981 36.737 1.00 0.00 C ATOM 0 H LEU A 64 42.125 -14.822 39.432 1.00 0.00 H new ATOM 0 HA LEU A 64 41.744 -16.300 37.778 1.00 0.00 H new ATOM 446 N PRO A 65 44.138 -15.358 36.939 1.00 0.00 N ATOM 447 CA PRO A 65 45.330 -15.224 36.127 1.00 0.00 C ATOM 448 C PRO A 65 45.673 -13.749 35.985 1.00 0.00 C ATOM 449 O PRO A 65 46.012 -13.098 36.971 1.00 0.00 O ATOM 450 CB PRO A 65 46.479 -15.988 36.780 1.00 0.00 C ATOM 0 HA PRO A 65 45.158 -15.642 35.135 1.00 0.00 H new ATOM 452 N GLY A 66 45.585 -13.233 34.755 1.00 0.00 N ATOM 453 CA GLY A 66 45.870 -11.840 34.467 1.00 0.00 C ATOM 454 C GLY A 66 45.070 -11.396 33.251 1.00 0.00 C ATOM 455 O GLY A 66 45.618 -11.261 32.160 1.00 0.00 O ATOM 0 H GLY A 66 45.313 -13.777 33.936 1.00 0.00 H new ATOM 0 HA2 GLY A 66 45.616 -11.221 35.328 1.00 0.00 H new ATOM 0 HA3 GLY A 66 46.936 -11.707 34.282 1.00 0.00 H new ATOM 459 N GLN A 67 43.770 -11.160 33.446 1.00 0.00 N ATOM 460 CA GLN A 67 42.895 -10.726 32.374 1.00 0.00 C ATOM 461 C GLN A 67 43.304 -9.339 31.895 1.00 0.00 C ATOM 462 O GLN A 67 44.354 -8.837 32.292 1.00 0.00 O ATOM 463 CB GLN A 67 41.452 -10.720 32.871 1.00 0.00 C ATOM 0 H GLN A 67 43.305 -11.266 34.348 1.00 0.00 H new ATOM 0 HA GLN A 67 42.977 -11.415 31.533 1.00 0.00 H new ATOM 466 N THR A 68 42.471 -8.741 31.036 1.00 0.00 N ATOM 467 CA THR A 68 42.696 -7.423 30.465 1.00 0.00 C ATOM 468 C THR A 68 43.572 -7.553 29.227 1.00 0.00 C ATOM 469 O THR A 68 44.630 -8.176 29.279 1.00 0.00 O ATOM 470 CB THR A 68 43.287 -6.454 31.488 1.00 0.00 C ATOM 0 H THR A 68 41.605 -9.175 30.716 1.00 0.00 H new ATOM 0 HA THR A 68 41.737 -6.998 30.169 1.00 0.00 H new ATOM 473 N GLU A 69 43.113 -6.979 28.111 1.00 0.00 N ATOM 474 CA GLU A 69 43.838 -7.037 26.856 1.00 0.00 C ATOM 475 C GLU A 69 45.257 -6.534 27.063 1.00 0.00 C ATOM 476 O GLU A 69 46.208 -7.310 27.003 1.00 0.00 O ATOM 477 CB GLU A 69 43.113 -6.198 25.809 1.00 0.00 C ATOM 0 H GLU A 69 42.233 -6.466 28.061 1.00 0.00 H new ATOM 0 HA GLU A 69 43.884 -8.067 26.504 1.00 0.00 H new ATOM 480 N ALA A 70 45.400 -5.230 27.307 1.00 0.00 N ATOM 481 CA ALA A 70 46.701 -4.643 27.542 1.00 0.00 C ATOM 482 C ALA A 70 47.270 -5.238 28.821 1.00 0.00 C ATOM 483 O ALA A 70 48.387 -5.751 28.829 1.00 0.00 O ATOM 484 CB ALA A 70 46.565 -3.128 27.659 1.00 0.00 C ATOM 0 H ALA A 70 44.625 -4.568 27.345 1.00 0.00 H new ATOM 0 HA ALA A 70 47.375 -4.858 26.713 1.00 0.00 H new ATOM 0 HB1 ALA A 70 47.546 -2.687 27.836 1.00 0.00 H new ATOM 0 HB2 ALA A 70 46.149 -2.728 26.735 1.00 0.00 H new ATOM 0 HB3 ALA A 70 45.903 -2.885 28.490 1.00 0.00 H new ATOM 487 N LYS A 71 46.489 -5.172 29.903 1.00 0.00 N ATOM 488 CA LYS A 71 46.900 -5.704 31.187 1.00 0.00 C ATOM 489 C LYS A 71 48.007 -4.835 31.757 1.00 0.00 C ATOM 490 O LYS A 71 48.762 -4.227 31.001 1.00 0.00 O ATOM 491 CB LYS A 71 47.358 -7.150 31.027 1.00 0.00 C ATOM 0 H LYS A 71 45.561 -4.749 29.905 1.00 0.00 H new ATOM 0 HA LYS A 71 46.059 -5.694 31.881 1.00 0.00 H new ATOM 494 N ALA A 72 48.100 -4.786 33.089 1.00 0.00 N ATOM 495 CA ALA A 72 49.093 -3.968 33.758 1.00 0.00 C ATOM 496 C ALA A 72 48.801 -3.855 35.245 1.00 0.00 C ATOM 497 O ALA A 72 47.934 -4.543 35.780 1.00 0.00 O ATOM 498 CB ALA A 72 49.110 -2.565 33.154 1.00 0.00 C ATOM 0 H ALA A 72 47.493 -5.309 33.720 1.00 0.00 H new ATOM 0 HA ALA A 72 50.062 -4.448 33.622 1.00 0.00 H new ATOM 0 HB1 ALA A 72 49.859 -1.959 33.663 1.00 0.00 H new ATOM 0 HB2 ALA A 72 49.354 -2.628 32.094 1.00 0.00 H new ATOM 0 HB3 ALA A 72 48.129 -2.106 33.273 1.00 0.00 H new ATOM 501 N ALA A 73 49.543 -2.959 35.895 1.00 0.00 N ATOM 502 CA ALA A 73 49.384 -2.722 37.315 1.00 0.00 C ATOM 503 C ALA A 73 48.032 -2.082 37.606 1.00 0.00 C ATOM 504 O ALA A 73 47.707 -1.826 38.764 1.00 0.00 O ATOM 505 CB ALA A 73 50.525 -1.840 37.817 1.00 0.00 C ATOM 0 H ALA A 73 50.261 -2.387 35.451 1.00 0.00 H new ATOM 0 HA ALA A 73 49.419 -3.676 37.842 1.00 0.00 H new ATOM 0 HB1 ALA A 73 50.404 -1.662 38.886 1.00 0.00 H new ATOM 0 HB2 ALA A 73 51.477 -2.339 37.637 1.00 0.00 H new ATOM 0 HB3 ALA A 73 50.509 -0.888 37.287 1.00 0.00 H new ATOM 508 N ILE A 74 47.242 -1.825 36.561 1.00 0.00 N ATOM 509 CA ILE A 74 45.941 -1.210 36.717 1.00 0.00 C ATOM 510 C ILE A 74 44.913 -2.191 37.266 1.00 0.00 C ATOM 511 O ILE A 74 43.718 -1.945 37.113 1.00 0.00 O ATOM 512 CB ILE A 74 45.483 -0.661 35.369 1.00 0.00 C ATOM 0 H ILE A 74 47.491 -2.039 35.595 1.00 0.00 H new ATOM 0 HA ILE A 74 46.028 -0.398 37.439 1.00 0.00 H new ATOM 515 N TRP A 75 45.365 -3.290 37.889 1.00 0.00 N ATOM 516 CA TRP A 75 44.498 -4.307 38.470 1.00 0.00 C ATOM 517 C TRP A 75 44.931 -4.562 39.906 1.00 0.00 C ATOM 518 O TRP A 75 45.533 -5.592 40.204 1.00 0.00 O ATOM 519 CB TRP A 75 44.606 -5.586 37.645 1.00 0.00 C ATOM 0 H TRP A 75 46.358 -3.493 38.001 1.00 0.00 H new ATOM 0 HA TRP A 75 43.461 -3.971 38.465 1.00 0.00 H new ATOM 522 N ALA A 76 44.613 -3.619 40.795 1.00 0.00 N ATOM 523 CA ALA A 76 44.959 -3.727 42.199 1.00 0.00 C ATOM 524 C ALA A 76 44.593 -2.448 42.949 1.00 0.00 C ATOM 525 O ALA A 76 45.046 -2.240 44.072 1.00 0.00 O ATOM 526 CB ALA A 76 46.451 -4.019 42.333 1.00 0.00 C ATOM 0 H ALA A 76 44.110 -2.765 40.555 1.00 0.00 H new ATOM 0 HA ALA A 76 44.392 -4.546 42.641 1.00 0.00 H new ATOM 0 HB1 ALA A 76 46.712 -4.100 43.388 1.00 0.00 H new ATOM 0 HB2 ALA A 76 46.685 -4.956 41.828 1.00 0.00 H new ATOM 0 HB3 ALA A 76 47.022 -3.209 41.879 1.00 0.00 H new ATOM 529 N ASN A 77 43.779 -1.588 42.329 1.00 0.00 N ATOM 530 CA ASN A 77 43.354 -0.343 42.929 1.00 0.00 C ATOM 531 C ASN A 77 42.168 0.188 42.139 1.00 0.00 C ATOM 532 O ASN A 77 42.233 1.289 41.595 1.00 0.00 O ATOM 533 CB ASN A 77 44.510 0.653 42.917 1.00 0.00 C ATOM 0 H ASN A 77 43.401 -1.746 41.395 1.00 0.00 H new ATOM 0 HA ASN A 77 43.055 -0.498 43.966 1.00 0.00 H new ATOM 536 N MET A 78 41.106 -0.623 42.069 1.00 0.00 N ATOM 537 CA MET A 78 39.888 -0.280 41.355 1.00 0.00 C ATOM 538 C MET A 78 39.458 1.139 41.693 1.00 0.00 C ATOM 539 O MET A 78 38.869 1.829 40.864 1.00 0.00 O ATOM 540 CB MET A 78 38.791 -1.275 41.722 1.00 0.00 C ATOM 0 H MET A 78 41.076 -1.541 42.512 1.00 0.00 H new ATOM 0 HA MET A 78 40.072 -0.331 40.282 1.00 0.00 H new ATOM 543 N ASP A 79 39.769 1.577 42.914 1.00 0.00 N ATOM 544 CA ASP A 79 39.439 2.919 43.346 1.00 0.00 C ATOM 545 C ASP A 79 40.241 3.919 42.524 1.00 0.00 C ATOM 546 O ASP A 79 39.676 4.828 41.921 1.00 0.00 O ATOM 547 CB ASP A 79 39.743 3.067 44.834 1.00 0.00 C ATOM 0 H ASP A 79 40.250 1.014 43.616 1.00 0.00 H new ATOM 0 HA ASP A 79 38.377 3.112 43.193 1.00 0.00 H new ATOM 550 N ASP A 80 41.564 3.740 42.500 1.00 0.00 N ATOM 551 CA ASP A 80 42.441 4.617 41.750 1.00 0.00 C ATOM 552 C ASP A 80 42.050 4.597 40.280 1.00 0.00 C ATOM 553 O ASP A 80 41.892 5.650 39.664 1.00 0.00 O ATOM 554 CB ASP A 80 43.888 4.169 41.934 1.00 0.00 C ATOM 0 H ASP A 80 42.045 2.990 42.996 1.00 0.00 H new ATOM 0 HA ASP A 80 42.344 5.639 42.118 1.00 0.00 H new ATOM 557 N PHE A 81 41.895 3.392 39.725 1.00 0.00 N ATOM 558 CA PHE A 81 41.516 3.228 38.337 1.00 0.00 C ATOM 559 C PHE A 81 40.236 4.007 38.070 1.00 0.00 C ATOM 560 O PHE A 81 40.203 4.854 37.178 1.00 0.00 O ATOM 561 CB PHE A 81 41.325 1.745 38.031 1.00 0.00 C ATOM 0 H PHE A 81 42.030 2.515 40.228 1.00 0.00 H new ATOM 0 HA PHE A 81 42.301 3.614 37.687 1.00 0.00 H new ATOM 564 N GLY A 82 39.188 3.718 38.848 1.00 0.00 N ATOM 565 CA GLY A 82 37.914 4.396 38.722 1.00 0.00 C ATOM 566 C GLY A 82 38.121 5.903 38.749 1.00 0.00 C ATOM 567 O GLY A 82 37.445 6.630 38.025 1.00 0.00 O ATOM 0 H GLY A 82 39.209 3.007 39.579 1.00 0.00 H new ATOM 0 HA2 GLY A 82 37.428 4.104 37.791 1.00 0.00 H new ATOM 0 HA3 GLY A 82 37.252 4.097 39.535 1.00 0.00 H new ATOM 571 N ALA A 83 39.061 6.367 39.579 1.00 0.00 N ATOM 572 CA ALA A 83 39.369 7.780 39.674 1.00 0.00 C ATOM 573 C ALA A 83 39.685 8.329 38.289 1.00 0.00 C ATOM 574 O ALA A 83 38.948 9.179 37.792 1.00 0.00 O ATOM 575 CB ALA A 83 40.551 7.980 40.619 1.00 0.00 C ATOM 0 H ALA A 83 39.619 5.774 40.193 1.00 0.00 H new ATOM 0 HA ALA A 83 38.510 8.320 40.072 1.00 0.00 H new ATOM 0 HB1 ALA A 83 40.783 9.042 40.691 1.00 0.00 H new ATOM 0 HB2 ALA A 83 40.296 7.596 41.607 1.00 0.00 H new ATOM 0 HB3 ALA A 83 41.419 7.444 40.235 1.00 0.00 H new ATOM 578 N LYS A 84 40.785 7.852 37.693 1.00 0.00 N ATOM 579 CA LYS A 84 41.216 8.271 36.365 1.00 0.00 C ATOM 580 C LYS A 84 40.044 8.318 35.396 1.00 0.00 C ATOM 581 O LYS A 84 39.984 9.184 34.530 1.00 0.00 O ATOM 582 CB LYS A 84 42.295 7.317 35.860 1.00 0.00 C ATOM 0 H LYS A 84 41.400 7.162 38.125 1.00 0.00 H new ATOM 0 HA LYS A 84 41.626 9.279 36.430 1.00 0.00 H new ATOM 585 N GLY A 85 39.130 7.363 35.559 1.00 0.00 N ATOM 586 CA GLY A 85 37.935 7.304 34.739 1.00 0.00 C ATOM 587 C GLY A 85 37.235 8.653 34.836 1.00 0.00 C ATOM 588 O GLY A 85 37.250 9.429 33.882 1.00 0.00 O ATOM 0 H GLY A 85 39.200 6.621 36.255 1.00 0.00 H new ATOM 0 HA2 GLY A 85 38.193 7.081 33.704 1.00 0.00 H new ATOM 0 HA3 GLY A 85 37.276 6.506 35.082 1.00 0.00 H new ATOM 592 N LYS A 86 36.623 8.892 36.000 1.00 0.00 N ATOM 593 CA LYS A 86 35.946 10.144 36.292 1.00 0.00 C ATOM 594 C LYS A 86 36.781 11.338 35.832 1.00 0.00 C ATOM 595 O LYS A 86 36.254 12.248 35.196 1.00 0.00 O ATOM 596 CB LYS A 86 35.672 10.228 37.791 1.00 0.00 C ATOM 0 H LYS A 86 36.587 8.216 36.763 1.00 0.00 H new ATOM 0 HA LYS A 86 35.002 10.173 35.748 1.00 0.00 H new ATOM 599 N ALA A 87 38.081 11.325 36.149 1.00 0.00 N ATOM 600 CA ALA A 87 38.970 12.410 35.769 1.00 0.00 C ATOM 601 C ALA A 87 38.890 12.655 34.268 1.00 0.00 C ATOM 602 O ALA A 87 38.706 13.788 33.820 1.00 0.00 O ATOM 603 CB ALA A 87 40.398 12.064 36.184 1.00 0.00 C ATOM 0 H ALA A 87 38.533 10.572 36.668 1.00 0.00 H new ATOM 0 HA ALA A 87 38.665 13.324 36.278 1.00 0.00 H new ATOM 0 HB1 ALA A 87 41.067 12.877 35.900 1.00 0.00 H new ATOM 0 HB2 ALA A 87 40.439 11.921 37.264 1.00 0.00 H new ATOM 0 HB3 ALA A 87 40.710 11.146 35.685 1.00 0.00 H new ATOM 606 N MET A 88 39.028 11.569 33.507 1.00 0.00 N ATOM 607 CA MET A 88 38.972 11.604 32.062 1.00 0.00 C ATOM 608 C MET A 88 37.724 12.343 31.614 1.00 0.00 C ATOM 609 O MET A 88 37.814 13.274 30.818 1.00 0.00 O ATOM 610 CB MET A 88 38.981 10.178 31.518 1.00 0.00 C ATOM 0 H MET A 88 39.183 10.636 33.889 1.00 0.00 H new ATOM 0 HA MET A 88 39.843 12.132 31.673 1.00 0.00 H new ATOM 613 N HIS A 89 36.556 11.944 32.125 1.00 0.00 N ATOM 614 CA HIS A 89 35.303 12.585 31.781 1.00 0.00 C ATOM 615 C HIS A 89 35.319 14.057 32.173 1.00 0.00 C ATOM 616 O HIS A 89 34.746 14.878 31.465 1.00 0.00 O ATOM 617 CB HIS A 89 34.158 11.857 32.480 1.00 0.00 C ATOM 0 H HIS A 89 36.462 11.171 32.784 1.00 0.00 H new ATOM 0 HA HIS A 89 35.161 12.532 30.702 1.00 0.00 H new ATOM 620 N GLU A 90 35.946 14.386 33.307 1.00 0.00 N ATOM 621 CA GLU A 90 36.031 15.772 33.750 1.00 0.00 C ATOM 622 C GLU A 90 36.554 16.653 32.615 1.00 0.00 C ATOM 623 O GLU A 90 35.930 17.646 32.245 1.00 0.00 O ATOM 624 CB GLU A 90 36.947 15.859 34.967 1.00 0.00 C ATOM 0 H GLU A 90 36.397 13.714 33.927 1.00 0.00 H new ATOM 0 HA GLU A 90 35.039 16.128 34.029 1.00 0.00 H new ATOM 627 N ALA A 91 37.695 16.251 32.058 1.00 0.00 N ATOM 628 CA ALA A 91 38.297 16.987 30.953 1.00 0.00 C ATOM 629 C ALA A 91 37.518 16.739 29.659 1.00 0.00 C ATOM 630 O ALA A 91 37.410 17.616 28.807 1.00 0.00 O ATOM 631 CB ALA A 91 39.758 16.586 30.803 1.00 0.00 C ATOM 0 H ALA A 91 38.217 15.425 32.353 1.00 0.00 H new ATOM 0 HA ALA A 91 38.254 18.055 31.166 1.00 0.00 H new ATOM 0 HB1 ALA A 91 40.204 17.139 29.976 1.00 0.00 H new ATOM 0 HB2 ALA A 91 40.295 16.815 31.724 1.00 0.00 H new ATOM 0 HB3 ALA A 91 39.823 15.517 30.602 1.00 0.00 H new ATOM 634 N GLY A 92 37.002 15.520 29.528 1.00 0.00 N ATOM 635 CA GLY A 92 36.222 15.139 28.361 1.00 0.00 C ATOM 636 C GLY A 92 35.046 16.095 28.140 1.00 0.00 C ATOM 637 O GLY A 92 35.008 16.842 27.162 1.00 0.00 O ATOM 0 H GLY A 92 37.112 14.779 30.220 1.00 0.00 H new ATOM 0 HA2 GLY A 92 36.862 15.136 27.479 1.00 0.00 H new ATOM 0 HA3 GLY A 92 35.848 14.123 28.487 1.00 0.00 H new ATOM 641 N GLY A 93 34.086 16.058 29.066 1.00 0.00 N ATOM 642 CA GLY A 93 32.890 16.877 29.000 1.00 0.00 C ATOM 643 C GLY A 93 33.217 18.360 29.111 1.00 0.00 C ATOM 644 O GLY A 93 32.584 19.182 28.452 1.00 0.00 O ATOM 0 H GLY A 93 34.124 15.452 29.886 1.00 0.00 H new ATOM 0 HA2 GLY A 93 32.371 16.688 28.060 1.00 0.00 H new ATOM 0 HA3 GLY A 93 32.210 16.593 29.803 1.00 0.00 H new ATOM 648 N ALA A 94 34.205 18.709 29.939 1.00 0.00 N ATOM 649 CA ALA A 94 34.590 20.095 30.113 1.00 0.00 C ATOM 650 C ALA A 94 35.206 20.613 28.820 1.00 0.00 C ATOM 651 O ALA A 94 35.046 21.781 28.475 1.00 0.00 O ATOM 652 CB ALA A 94 35.582 20.204 31.268 1.00 0.00 C ATOM 0 H ALA A 94 34.746 18.046 30.494 1.00 0.00 H new ATOM 0 HA ALA A 94 33.715 20.700 30.349 1.00 0.00 H new ATOM 0 HB1 ALA A 94 35.873 21.246 31.401 1.00 0.00 H new ATOM 0 HB2 ALA A 94 35.117 19.838 32.183 1.00 0.00 H new ATOM 0 HB3 ALA A 94 36.466 19.606 31.046 1.00 0.00 H new ATOM 655 N VAL A 95 35.904 19.730 28.103 1.00 0.00 N ATOM 656 CA VAL A 95 36.563 20.071 26.858 1.00 0.00 C ATOM 657 C VAL A 95 35.541 20.390 25.780 1.00 0.00 C ATOM 658 O VAL A 95 35.697 21.369 25.056 1.00 0.00 O ATOM 659 CB VAL A 95 37.456 18.912 26.426 1.00 0.00 C ATOM 0 H VAL A 95 36.024 18.755 28.378 1.00 0.00 H new ATOM 0 HA VAL A 95 37.176 20.959 27.009 1.00 0.00 H new ATOM 662 N ILE A 96 34.496 19.567 25.663 1.00 0.00 N ATOM 663 CA ILE A 96 33.463 19.802 24.673 1.00 0.00 C ATOM 664 C ILE A 96 32.724 21.083 25.037 1.00 0.00 C ATOM 665 O ILE A 96 32.313 21.842 24.162 1.00 0.00 O ATOM 666 CB ILE A 96 32.507 18.613 24.644 1.00 0.00 C ATOM 0 H ILE A 96 34.350 18.739 26.241 1.00 0.00 H new ATOM 0 HA ILE A 96 33.902 19.912 23.681 1.00 0.00 H new ATOM 669 N ALA A 97 32.571 21.318 26.342 1.00 0.00 N ATOM 670 CA ALA A 97 31.890 22.497 26.837 1.00 0.00 C ATOM 671 C ALA A 97 32.577 23.759 26.329 1.00 0.00 C ATOM 672 O ALA A 97 31.944 24.602 25.698 1.00 0.00 O ATOM 673 CB ALA A 97 31.873 22.469 28.362 1.00 0.00 C ATOM 0 H ALA A 97 32.916 20.696 27.073 1.00 0.00 H new ATOM 0 HA ALA A 97 30.863 22.502 26.471 1.00 0.00 H new ATOM 0 HB1 ALA A 97 31.361 23.355 28.736 1.00 0.00 H new ATOM 0 HB2 ALA A 97 31.350 21.576 28.704 1.00 0.00 H new ATOM 0 HB3 ALA A 97 32.896 22.456 28.737 1.00 0.00 H new ATOM 676 N ALA A 98 33.877 23.888 26.609 1.00 0.00 N ATOM 677 CA ALA A 98 34.642 25.050 26.199 1.00 0.00 C ATOM 678 C ALA A 98 34.876 25.052 24.694 1.00 0.00 C ATOM 679 O ALA A 98 34.826 26.103 24.059 1.00 0.00 O ATOM 680 CB ALA A 98 35.972 25.064 26.947 1.00 0.00 C ATOM 0 H ALA A 98 34.417 23.192 27.122 1.00 0.00 H new ATOM 0 HA ALA A 98 34.076 25.949 26.444 1.00 0.00 H new ATOM 0 HB1 ALA A 98 36.551 25.936 26.643 1.00 0.00 H new ATOM 0 HB2 ALA A 98 35.786 25.109 28.020 1.00 0.00 H new ATOM 0 HB3 ALA A 98 36.530 24.158 26.713 1.00 0.00 H new ATOM 683 N ALA A 99 35.129 23.873 24.122 1.00 0.00 N ATOM 684 CA ALA A 99 35.381 23.747 22.699 1.00 0.00 C ATOM 685 C ALA A 99 34.206 24.307 21.910 1.00 0.00 C ATOM 686 O ALA A 99 34.383 25.191 21.075 1.00 0.00 O ATOM 687 CB ALA A 99 35.611 22.278 22.355 1.00 0.00 C ATOM 0 H ALA A 99 35.163 22.991 24.633 1.00 0.00 H new ATOM 0 HA ALA A 99 36.272 24.316 22.433 1.00 0.00 H new ATOM 0 HB1 ALA A 99 35.801 22.180 21.286 1.00 0.00 H new ATOM 0 HB2 ALA A 99 36.470 21.904 22.912 1.00 0.00 H new ATOM 0 HB3 ALA A 99 34.727 21.699 22.621 1.00 0.00 H new ATOM 690 N ASN A 100 33.008 23.781 22.179 1.00 0.00 N ATOM 691 CA ASN A 100 31.805 24.226 21.503 1.00 0.00 C ATOM 692 C ASN A 100 31.667 25.735 21.651 1.00 0.00 C ATOM 693 O ASN A 100 31.455 26.441 20.668 1.00 0.00 O ATOM 694 CB ASN A 100 30.595 23.511 22.098 1.00 0.00 C ATOM 0 H ASN A 100 32.854 23.043 22.866 1.00 0.00 H new ATOM 0 HA ASN A 100 31.865 23.986 20.441 1.00 0.00 H new ATOM 697 N ALA A 101 31.799 26.221 22.888 1.00 0.00 N ATOM 698 CA ALA A 101 31.701 27.638 23.180 1.00 0.00 C ATOM 699 C ALA A 101 33.012 28.344 22.849 1.00 0.00 C ATOM 700 O ALA A 101 33.020 29.565 22.700 1.00 0.00 O ATOM 701 CB ALA A 101 31.355 27.821 24.655 1.00 0.00 C ATOM 0 H ALA A 101 31.976 25.639 23.707 1.00 0.00 H new ATOM 0 HA ALA A 101 30.916 28.080 22.566 1.00 0.00 H new ATOM 0 HB1 ALA A 101 31.280 28.884 24.882 1.00 0.00 H new ATOM 0 HB2 ALA A 101 30.402 27.336 24.868 1.00 0.00 H new ATOM 0 HB3 ALA A 101 32.136 27.373 25.270 1.00 0.00 H new ATOM 704 N GLY A 102 34.098 27.568 22.731 1.00 0.00 N ATOM 705 CA GLY A 102 35.429 28.082 22.442 1.00 0.00 C ATOM 706 C GLY A 102 35.881 27.670 21.047 1.00 0.00 C ATOM 707 O GLY A 102 35.239 28.006 20.054 1.00 0.00 O ATOM 0 H GLY A 102 34.069 26.554 22.836 1.00 0.00 H new ATOM 0 HA2 GLY A 102 35.428 29.169 22.522 1.00 0.00 H new ATOM 0 HA3 GLY A 102 36.136 27.708 23.183 1.00 0.00 H new ATOM 711 N ASP A 103 36.998 26.941 20.982 1.00 0.00 N ATOM 712 CA ASP A 103 37.558 26.482 19.725 1.00 0.00 C ATOM 713 C ASP A 103 38.819 25.682 20.020 1.00 0.00 C ATOM 714 O ASP A 103 39.014 25.256 21.153 1.00 0.00 O ATOM 715 CB ASP A 103 37.869 27.683 18.835 1.00 0.00 C ATOM 0 H ASP A 103 37.533 26.657 21.803 1.00 0.00 H new ATOM 0 HA ASP A 103 36.846 25.846 19.199 1.00 0.00 H new ATOM 718 N GLY A 104 39.669 25.482 19.009 1.00 0.00 N ATOM 719 CA GLY A 104 40.907 24.736 19.173 1.00 0.00 C ATOM 720 C GLY A 104 41.704 25.245 20.370 1.00 0.00 C ATOM 721 O GLY A 104 42.409 24.480 21.024 1.00 0.00 O ATOM 0 H GLY A 104 39.515 25.832 18.063 1.00 0.00 H new ATOM 0 HA2 GLY A 104 40.682 23.678 19.306 1.00 0.00 H new ATOM 0 HA3 GLY A 104 41.509 24.822 18.269 1.00 0.00 H new ATOM 725 N ALA A 105 41.574 26.541 20.658 1.00 0.00 N ATOM 726 CA ALA A 105 42.281 27.155 21.766 1.00 0.00 C ATOM 727 C ALA A 105 41.839 26.566 23.104 1.00 0.00 C ATOM 728 O ALA A 105 42.562 25.779 23.713 1.00 0.00 O ATOM 729 CB ALA A 105 42.048 28.662 21.741 1.00 0.00 C ATOM 0 H ALA A 105 40.981 27.183 20.132 1.00 0.00 H new ATOM 0 HA ALA A 105 43.346 26.950 21.656 1.00 0.00 H new ATOM 0 HB1 ALA A 105 42.578 29.126 22.573 1.00 0.00 H new ATOM 0 HB2 ALA A 105 42.418 29.072 20.801 1.00 0.00 H new ATOM 0 HB3 ALA A 105 40.981 28.867 21.831 1.00 0.00 H new ATOM 732 N ALA A 106 40.648 26.958 23.562 1.00 0.00 N ATOM 733 CA ALA A 106 40.123 26.499 24.834 1.00 0.00 C ATOM 734 C ALA A 106 39.946 24.987 24.823 1.00 0.00 C ATOM 735 O ALA A 106 40.240 24.316 25.810 1.00 0.00 O ATOM 736 CB ALA A 106 38.792 27.193 25.110 1.00 0.00 C ATOM 0 H ALA A 106 40.031 27.597 23.061 1.00 0.00 H new ATOM 0 HA ALA A 106 40.829 26.749 25.626 1.00 0.00 H new ATOM 0 HB1 ALA A 106 38.394 26.850 26.065 1.00 0.00 H new ATOM 0 HB2 ALA A 106 38.945 28.272 25.146 1.00 0.00 H new ATOM 0 HB3 ALA A 106 38.085 26.953 24.316 1.00 0.00 H new ATOM 739 N PHE A 107 39.468 24.455 23.698 1.00 0.00 N ATOM 740 CA PHE A 107 39.244 23.031 23.555 1.00 0.00 C ATOM 741 C PHE A 107 40.562 22.279 23.642 1.00 0.00 C ATOM 742 O PHE A 107 40.649 21.283 24.351 1.00 0.00 O ATOM 743 CB PHE A 107 38.542 22.739 22.232 1.00 0.00 C ATOM 0 H PHE A 107 39.229 25.001 22.870 1.00 0.00 H new ATOM 0 HA PHE A 107 38.602 22.692 24.368 1.00 0.00 H new ATOM 746 N GLY A 108 41.583 22.738 22.914 1.00 0.00 N ATOM 747 CA GLY A 108 42.888 22.101 22.922 1.00 0.00 C ATOM 748 C GLY A 108 43.500 22.069 24.320 1.00 0.00 C ATOM 749 O GLY A 108 44.183 21.112 24.678 1.00 0.00 O ATOM 0 H GLY A 108 41.522 23.557 22.309 1.00 0.00 H new ATOM 0 HA2 GLY A 108 42.797 21.083 22.543 1.00 0.00 H new ATOM 0 HA3 GLY A 108 43.556 22.635 22.246 1.00 0.00 H new ATOM 753 N ALA A 109 43.248 23.113 25.111 1.00 0.00 N ATOM 754 CA ALA A 109 43.795 23.190 26.454 1.00 0.00 C ATOM 755 C ALA A 109 43.136 22.139 27.341 1.00 0.00 C ATOM 756 O ALA A 109 43.802 21.270 27.901 1.00 0.00 O ATOM 757 CB ALA A 109 43.567 24.591 27.016 1.00 0.00 C ATOM 0 H ALA A 109 42.671 23.910 24.841 1.00 0.00 H new ATOM 0 HA ALA A 109 44.867 22.994 26.426 1.00 0.00 H new ATOM 0 HB1 ALA A 109 43.977 24.650 28.024 1.00 0.00 H new ATOM 0 HB2 ALA A 109 44.063 25.324 26.379 1.00 0.00 H new ATOM 0 HB3 ALA A 109 42.498 24.801 27.047 1.00 0.00 H new ATOM 760 N ALA A 110 41.811 22.227 27.451 1.00 0.00 N ATOM 761 CA ALA A 110 41.054 21.293 28.259 1.00 0.00 C ATOM 762 C ALA A 110 41.306 19.879 27.750 1.00 0.00 C ATOM 763 O ALA A 110 41.401 18.937 28.533 1.00 0.00 O ATOM 764 CB ALA A 110 39.571 21.644 28.187 1.00 0.00 C ATOM 0 H ALA A 110 41.246 22.939 26.987 1.00 0.00 H new ATOM 0 HA ALA A 110 41.369 21.352 29.301 1.00 0.00 H new ATOM 0 HB1 ALA A 110 39.001 20.941 28.795 1.00 0.00 H new ATOM 0 HB2 ALA A 110 39.418 22.656 28.562 1.00 0.00 H new ATOM 0 HB3 ALA A 110 39.233 21.586 27.152 1.00 0.00 H new ATOM 767 N LEU A 111 41.424 19.745 26.427 1.00 0.00 N ATOM 768 CA LEU A 111 41.649 18.469 25.779 1.00 0.00 C ATOM 769 C LEU A 111 43.024 17.910 26.106 1.00 0.00 C ATOM 770 O LEU A 111 43.198 16.694 26.127 1.00 0.00 O ATOM 771 CB LEU A 111 41.486 18.625 24.270 1.00 0.00 C ATOM 0 H LEU A 111 41.364 20.530 25.778 1.00 0.00 H new ATOM 0 HA LEU A 111 40.910 17.761 26.155 1.00 0.00 H new ATOM 774 N GLN A 112 44.007 18.776 26.366 1.00 0.00 N ATOM 775 CA GLN A 112 45.341 18.330 26.709 1.00 0.00 C ATOM 776 C GLN A 112 45.281 17.827 28.139 1.00 0.00 C ATOM 777 O GLN A 112 46.006 16.905 28.512 1.00 0.00 O ATOM 778 CB GLN A 112 46.319 19.493 26.577 1.00 0.00 C ATOM 0 H GLN A 112 43.894 19.789 26.343 1.00 0.00 H new ATOM 0 HA GLN A 112 45.684 17.537 26.045 1.00 0.00 H new ATOM 781 N LYS A 113 44.387 18.428 28.931 1.00 0.00 N ATOM 782 CA LYS A 113 44.195 18.025 30.306 1.00 0.00 C ATOM 783 C LYS A 113 43.655 16.604 30.282 1.00 0.00 C ATOM 784 O LYS A 113 44.175 15.724 30.962 1.00 0.00 O ATOM 785 CB LYS A 113 43.210 18.972 30.985 1.00 0.00 C ATOM 0 H LYS A 113 43.788 19.197 28.631 1.00 0.00 H new ATOM 0 HA LYS A 113 45.129 18.063 30.867 1.00 0.00 H new ATOM 788 N LEU A 114 42.618 16.387 29.468 1.00 0.00 N ATOM 789 CA LEU A 114 42.017 15.077 29.323 1.00 0.00 C ATOM 790 C LEU A 114 43.073 14.107 28.820 1.00 0.00 C ATOM 791 O LEU A 114 43.099 12.948 29.228 1.00 0.00 O ATOM 792 CB LEU A 114 40.843 15.158 28.352 1.00 0.00 C ATOM 0 H LEU A 114 42.182 17.113 28.900 1.00 0.00 H new ATOM 0 HA LEU A 114 41.640 14.724 30.283 1.00 0.00 H new ATOM 795 N GLY A 115 43.956 14.587 27.943 1.00 0.00 N ATOM 796 CA GLY A 115 45.011 13.758 27.402 1.00 0.00 C ATOM 797 C GLY A 115 45.922 13.322 28.538 1.00 0.00 C ATOM 798 O GLY A 115 45.733 12.241 29.092 1.00 0.00 O ATOM 0 H GLY A 115 43.954 15.547 27.598 1.00 0.00 H new ATOM 0 HA2 GLY A 115 44.588 12.887 26.902 1.00 0.00 H new ATOM 0 HA3 GLY A 115 45.579 14.310 26.653 1.00 0.00 H new ATOM 802 N GLY A 116 46.909 14.166 28.857 1.00 0.00 N ATOM 803 CA GLY A 116 47.872 13.914 29.919 1.00 0.00 C ATOM 804 C GLY A 116 47.260 13.280 31.164 1.00 0.00 C ATOM 805 O GLY A 116 47.915 12.479 31.828 1.00 0.00 O ATOM 0 H GLY A 116 47.058 15.053 28.375 1.00 0.00 H new ATOM 0 HA2 GLY A 116 48.657 13.261 29.538 1.00 0.00 H new ATOM 0 HA3 GLY A 116 48.347 14.855 30.197 1.00 0.00 H new ATOM 809 N THR A 117 46.009 13.617 31.483 1.00 0.00 N ATOM 810 CA THR A 117 45.351 13.047 32.643 1.00 0.00 C ATOM 811 C THR A 117 45.238 11.539 32.471 1.00 0.00 C ATOM 812 O THR A 117 45.788 10.778 33.263 1.00 0.00 O ATOM 813 CB THR A 117 43.970 13.670 32.824 1.00 0.00 C ATOM 0 H THR A 117 45.441 14.278 30.954 1.00 0.00 H new ATOM 0 HA THR A 117 45.941 13.260 33.534 1.00 0.00 H new ATOM 816 N CYS A 118 44.521 11.109 31.429 1.00 0.00 N ATOM 817 CA CYS A 118 44.338 9.698 31.153 1.00 0.00 C ATOM 818 C CYS A 118 45.691 9.032 30.955 1.00 0.00 C ATOM 819 O CYS A 118 45.915 7.923 31.435 1.00 0.00 O ATOM 820 CB CYS A 118 43.468 9.534 29.910 1.00 0.00 C ATOM 0 H CYS A 118 44.059 11.729 30.764 1.00 0.00 H new ATOM 0 HA CYS A 118 43.840 9.219 31.996 1.00 0.00 H new ATOM 823 N LYS A 119 46.597 9.716 30.252 1.00 0.00 N ATOM 824 CA LYS A 119 47.922 9.190 29.993 1.00 0.00 C ATOM 825 C LYS A 119 48.645 8.944 31.309 1.00 0.00 C ATOM 826 O LYS A 119 49.313 7.926 31.472 1.00 0.00 O ATOM 827 CB LYS A 119 48.698 10.179 29.127 1.00 0.00 C ATOM 0 H LYS A 119 46.427 10.640 29.854 1.00 0.00 H new ATOM 0 HA LYS A 119 47.845 8.242 29.461 1.00 0.00 H new ATOM 830 N ALA A 120 48.503 9.879 32.252 1.00 0.00 N ATOM 831 CA ALA A 120 49.139 9.764 33.549 1.00 0.00 C ATOM 832 C ALA A 120 48.684 8.483 34.233 1.00 0.00 C ATOM 833 O ALA A 120 49.500 7.746 34.782 1.00 0.00 O ATOM 834 CB ALA A 120 48.786 10.983 34.395 1.00 0.00 C ATOM 0 H ALA A 120 47.948 10.726 32.131 1.00 0.00 H new ATOM 0 HA ALA A 120 50.221 9.723 33.427 1.00 0.00 H new ATOM 0 HB1 ALA A 120 49.263 10.899 35.371 1.00 0.00 H new ATOM 0 HB2 ALA A 120 49.137 11.886 33.896 1.00 0.00 H new ATOM 0 HB3 ALA A 120 47.705 11.036 34.523 1.00 0.00 H new ATOM 837 N CYS A 121 47.377 8.216 34.194 1.00 0.00 N ATOM 838 CA CYS A 121 46.817 7.029 34.808 1.00 0.00 C ATOM 839 C CYS A 121 47.468 5.784 34.221 1.00 0.00 C ATOM 840 O CYS A 121 47.834 4.869 34.954 1.00 0.00 O ATOM 841 CB CYS A 121 45.308 7.006 34.581 1.00 0.00 C ATOM 0 H CYS A 121 46.689 8.816 33.738 1.00 0.00 H new ATOM 0 HA CYS A 121 47.013 7.044 35.880 1.00 0.00 H new ATOM 844 N HIS A 122 47.615 5.755 32.894 1.00 0.00 N ATOM 845 CA HIS A 122 48.216 4.625 32.215 1.00 0.00 C ATOM 846 C HIS A 122 49.602 4.356 32.785 1.00 0.00 C ATOM 847 O HIS A 122 49.809 3.360 33.475 1.00 0.00 O ATOM 848 CB HIS A 122 48.291 4.912 30.719 1.00 0.00 C ATOM 0 H HIS A 122 47.322 6.510 32.274 1.00 0.00 H new ATOM 0 HA HIS A 122 47.604 3.736 32.370 1.00 0.00 H new ATOM 851 N ASP A 123 50.552 5.245 32.488 1.00 0.00 N ATOM 852 CA ASP A 123 51.913 5.104 32.968 1.00 0.00 C ATOM 853 C ASP A 123 51.922 4.976 34.486 1.00 0.00 C ATOM 854 O ASP A 123 52.881 4.465 35.060 1.00 0.00 O ATOM 855 CB ASP A 123 52.732 6.313 32.525 1.00 0.00 C ATOM 0 H ASP A 123 50.394 6.073 31.913 1.00 0.00 H new ATOM 0 HA ASP A 123 52.357 4.201 32.548 1.00 0.00 H new ATOM 858 N ASP A 124 50.849 5.435 35.134 1.00 0.00 N ATOM 859 CA ASP A 124 50.742 5.373 36.578 1.00 0.00 C ATOM 860 C ASP A 124 50.813 3.925 37.042 1.00 0.00 C ATOM 861 O ASP A 124 51.703 3.561 37.808 1.00 0.00 O ATOM 862 CB ASP A 124 49.431 6.018 37.017 1.00 0.00 C ATOM 0 H ASP A 124 50.043 5.854 34.671 1.00 0.00 H new ATOM 0 HA ASP A 124 51.571 5.918 37.031 1.00 0.00 H new ATOM 865 N TYR A 125 49.873 3.099 36.577 1.00 0.00 N ATOM 866 CA TYR A 125 49.833 1.700 36.950 1.00 0.00 C ATOM 867 C TYR A 125 51.158 1.033 36.608 1.00 0.00 C ATOM 868 O TYR A 125 52.007 0.858 37.479 1.00 0.00 O ATOM 869 CB TYR A 125 48.678 1.013 36.227 1.00 0.00 C ATOM 0 H TYR A 125 49.130 3.385 35.939 1.00 0.00 H new ATOM 0 HA TYR A 125 49.674 1.613 38.025 1.00 0.00 H new ATOM 872 N ARG A 126 51.329 0.657 35.339 1.00 0.00 N ATOM 873 CA ARG A 126 52.544 0.009 34.886 1.00 0.00 C ATOM 874 C ARG A 126 52.390 -0.421 33.435 1.00 0.00 C ATOM 875 O ARG A 126 52.488 -1.606 33.124 1.00 0.00 O ATOM 876 CB ARG A 126 52.841 -1.197 35.774 1.00 0.00 C ATOM 0 H ARG A 126 50.631 0.795 34.608 1.00 0.00 H new ATOM 0 HA ARG A 126 53.377 0.709 34.953 1.00 0.00 H new ATOM 879 N GLU A 127 52.149 0.544 32.545 1.00 0.00 N ATOM 880 CA GLU A 127 51.983 0.258 31.134 1.00 0.00 C ATOM 881 C GLU A 127 53.308 -0.199 30.540 1.00 0.00 C ATOM 882 O GLU A 127 54.332 -0.184 31.220 1.00 0.00 O ATOM 883 CB GLU A 127 51.472 1.506 30.419 1.00 0.00 C ATOM 0 H GLU A 127 52.066 1.532 32.786 1.00 0.00 H new ATOM 0 HA GLU A 127 51.255 -0.543 31.005 1.00 0.00 H new ATOM 886 N GLU A 128 53.285 -0.608 29.270 1.00 0.00 N ATOM 887 CA GLU A 128 54.480 -1.067 28.591 1.00 0.00 C ATOM 888 C GLU A 128 54.119 -1.570 27.200 1.00 0.00 C ATOM 889 O GLU A 128 52.949 -1.578 26.825 1.00 0.00 O ATOM 890 CB GLU A 128 55.139 -2.172 29.412 1.00 0.00 C ATOM 0 H GLU A 128 52.443 -0.627 28.695 1.00 0.00 H new ATOM 0 HA GLU A 128 55.185 -0.242 28.487 1.00 0.00 H new ATOM 893 N ASP A 129 55.129 -1.990 26.435 1.00 0.00 N ATOM 894 CA ASP A 129 54.915 -2.491 25.092 1.00 0.00 C ATOM 895 C ASP A 129 56.254 -2.787 24.433 1.00 0.00 C ATOM 896 O ASP A 129 56.638 -1.994 23.546 1.00 0.00 O ATOM 897 CB ASP A 129 54.130 -1.461 24.285 1.00 0.00 C ATOM 0 H ASP A 129 56.105 -1.990 26.732 1.00 0.00 H new ATOM 0 HA ASP A 129 54.340 -3.416 25.132 1.00 0.00 H new TER 900 ASP A 129 HETATM 901 FE HEM A 130 43.754 4.626 27.996 1.00 0.00 FE