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 41.374 -19.027 22.027 1.00 0.00 N ATOM 2 CA ALA A 1 40.198 -18.347 21.522 1.00 0.00 C ATOM 3 C ALA A 1 39.504 -17.625 22.669 1.00 0.00 C ATOM 4 O ALA A 1 38.347 -17.907 22.972 1.00 0.00 O ATOM 5 CB ALA A 1 40.615 -17.362 20.434 1.00 0.00 C ATOM 0 H1 ALA A 1 41.851 -19.522 21.246 1.00 0.00 H new ATOM 0 H2 ALA A 1 42.024 -18.332 22.445 1.00 0.00 H new ATOM 0 H3 ALA A 1 41.092 -19.717 22.752 1.00 0.00 H new ATOM 0 HA ALA A 1 39.502 -19.067 21.092 1.00 0.00 H new ATOM 0 HB1 ALA A 1 39.733 -16.848 20.051 1.00 0.00 H new ATOM 0 HB2 ALA A 1 41.308 -16.632 20.851 1.00 0.00 H new ATOM 0 HB3 ALA A 1 41.102 -17.902 19.622 1.00 0.00 H new ATOM 7 N ASP A 2 40.215 -16.692 23.306 1.00 0.00 N ATOM 8 CA ASP A 2 39.667 -15.936 24.414 1.00 0.00 C ATOM 9 C ASP A 2 38.382 -15.246 23.981 1.00 0.00 C ATOM 10 O ASP A 2 37.334 -15.441 24.592 1.00 0.00 O ATOM 11 CB ASP A 2 40.696 -14.914 24.889 1.00 0.00 C ATOM 0 H ASP A 2 41.176 -16.447 23.065 1.00 0.00 H new ATOM 0 HA ASP A 2 39.434 -16.609 25.240 1.00 0.00 H new ATOM 14 N THR A 3 38.465 -14.438 22.921 1.00 0.00 N ATOM 15 CA THR A 3 37.313 -13.723 22.410 1.00 0.00 C ATOM 16 C THR A 3 36.689 -12.886 23.518 1.00 0.00 C ATOM 17 O THR A 3 35.490 -12.983 23.772 1.00 0.00 O ATOM 18 CB THR A 3 36.302 -14.720 21.850 1.00 0.00 C ATOM 0 H THR A 3 39.327 -14.268 22.403 1.00 0.00 H new ATOM 0 HA THR A 3 37.624 -13.053 21.609 1.00 0.00 H new ATOM 21 N LYS A 4 37.507 -12.066 24.181 1.00 0.00 N ATOM 22 CA LYS A 4 37.036 -11.215 25.256 1.00 0.00 C ATOM 23 C LYS A 4 36.033 -10.207 24.715 1.00 0.00 C ATOM 24 O LYS A 4 36.419 -9.197 24.132 1.00 0.00 O ATOM 25 CB LYS A 4 38.225 -10.504 25.896 1.00 0.00 C ATOM 0 H LYS A 4 38.504 -11.979 23.984 1.00 0.00 H new ATOM 0 HA LYS A 4 36.539 -11.820 26.014 1.00 0.00 H new ATOM 28 N GLU A 5 34.741 -10.481 24.912 1.00 0.00 N ATOM 29 CA GLU A 5 33.690 -9.599 24.447 1.00 0.00 C ATOM 30 C GLU A 5 33.669 -8.329 25.287 1.00 0.00 C ATOM 31 O GLU A 5 33.736 -7.225 24.749 1.00 0.00 O ATOM 32 CB GLU A 5 32.349 -10.322 24.530 1.00 0.00 C ATOM 0 H GLU A 5 34.405 -11.315 25.395 1.00 0.00 H new ATOM 0 HA GLU A 5 33.877 -9.321 23.410 1.00 0.00 H new ATOM 35 N VAL A 6 33.576 -8.487 26.610 1.00 0.00 N ATOM 36 CA VAL A 6 33.542 -7.358 27.518 1.00 0.00 C ATOM 37 C VAL A 6 34.815 -6.537 27.384 1.00 0.00 C ATOM 38 O VAL A 6 34.769 -5.310 27.421 1.00 0.00 O ATOM 39 CB VAL A 6 33.371 -7.863 28.948 1.00 0.00 C ATOM 0 H VAL A 6 33.523 -9.396 27.070 1.00 0.00 H new ATOM 0 HA VAL A 6 32.698 -6.715 27.267 1.00 0.00 H new ATOM 42 N LEU A 7 35.955 -7.212 27.217 1.00 0.00 N ATOM 43 CA LEU A 7 37.225 -6.531 27.071 1.00 0.00 C ATOM 44 C LEU A 7 37.262 -5.849 25.713 1.00 0.00 C ATOM 45 O LEU A 7 37.625 -4.681 25.620 1.00 0.00 O ATOM 46 CB LEU A 7 38.363 -7.539 27.206 1.00 0.00 C ATOM 0 H LEU A 7 36.015 -8.230 27.181 1.00 0.00 H new ATOM 0 HA LEU A 7 37.343 -5.777 27.849 1.00 0.00 H new ATOM 49 N GLU A 8 36.887 -6.592 24.670 1.00 0.00 N ATOM 50 CA GLU A 8 36.860 -6.073 23.314 1.00 0.00 C ATOM 51 C GLU A 8 36.076 -4.768 23.253 1.00 0.00 C ATOM 52 O GLU A 8 36.533 -3.792 22.658 1.00 0.00 O ATOM 53 CB GLU A 8 36.249 -7.116 22.383 1.00 0.00 C ATOM 0 H GLU A 8 36.596 -7.566 24.748 1.00 0.00 H new ATOM 0 HA GLU A 8 37.880 -5.863 22.991 1.00 0.00 H new ATOM 56 N ALA A 9 34.900 -4.736 23.883 1.00 0.00 N ATOM 57 CA ALA A 9 34.083 -3.543 23.901 1.00 0.00 C ATOM 58 C ALA A 9 34.899 -2.464 24.581 1.00 0.00 C ATOM 59 O ALA A 9 34.935 -1.323 24.125 1.00 0.00 O ATOM 60 CB ALA A 9 32.784 -3.815 24.653 1.00 0.00 C ATOM 0 H ALA A 9 34.500 -5.529 24.385 1.00 0.00 H new ATOM 0 HA ALA A 9 33.810 -3.228 22.894 1.00 0.00 H new ATOM 0 HB1 ALA A 9 32.173 -2.912 24.663 1.00 0.00 H new ATOM 0 HB2 ALA A 9 32.238 -4.617 24.157 1.00 0.00 H new ATOM 0 HB3 ALA A 9 33.012 -4.110 25.677 1.00 0.00 H new ATOM 63 N ARG A 10 35.576 -2.836 25.669 1.00 0.00 N ATOM 64 CA ARG A 10 36.427 -1.914 26.386 1.00 0.00 C ATOM 65 C ARG A 10 37.500 -1.409 25.433 1.00 0.00 C ATOM 66 O ARG A 10 37.933 -0.264 25.539 1.00 0.00 O ATOM 67 CB ARG A 10 37.052 -2.624 27.583 1.00 0.00 C ATOM 0 H ARG A 10 35.544 -3.775 26.066 1.00 0.00 H new ATOM 0 HA ARG A 10 35.850 -1.067 26.757 1.00 0.00 H new ATOM 70 N GLU A 11 37.921 -2.257 24.489 1.00 0.00 N ATOM 71 CA GLU A 11 38.929 -1.867 23.527 1.00 0.00 C ATOM 72 C GLU A 11 38.370 -0.697 22.738 1.00 0.00 C ATOM 73 O GLU A 11 39.084 0.251 22.419 1.00 0.00 O ATOM 74 CB GLU A 11 39.247 -3.045 22.610 1.00 0.00 C ATOM 0 H GLU A 11 37.575 -3.210 24.379 1.00 0.00 H new ATOM 0 HA GLU A 11 39.856 -1.574 24.020 1.00 0.00 H new ATOM 77 N ALA A 12 37.071 -0.772 22.443 1.00 0.00 N ATOM 78 CA ALA A 12 36.383 0.267 21.702 1.00 0.00 C ATOM 79 C ALA A 12 36.335 1.532 22.548 1.00 0.00 C ATOM 80 O ALA A 12 36.589 2.627 22.051 1.00 0.00 O ATOM 81 CB ALA A 12 34.971 -0.206 21.368 1.00 0.00 C ATOM 0 H ALA A 12 36.475 -1.555 22.713 1.00 0.00 H new ATOM 0 HA ALA A 12 36.911 0.481 20.773 1.00 0.00 H new ATOM 0 HB1 ALA A 12 34.449 0.572 20.811 1.00 0.00 H new ATOM 0 HB2 ALA A 12 35.024 -1.112 20.764 1.00 0.00 H new ATOM 0 HB3 ALA A 12 34.430 -0.416 22.291 1.00 0.00 H new ATOM 84 N TYR A 13 36.014 1.370 23.834 1.00 0.00 N ATOM 85 CA TYR A 13 35.936 2.488 24.753 1.00 0.00 C ATOM 86 C TYR A 13 37.285 3.189 24.812 1.00 0.00 C ATOM 87 O TYR A 13 37.356 4.383 25.100 1.00 0.00 O ATOM 88 CB TYR A 13 35.528 1.981 26.133 1.00 0.00 C ATOM 0 H TYR A 13 35.804 0.466 24.256 1.00 0.00 H new ATOM 0 HA TYR A 13 35.188 3.203 24.409 1.00 0.00 H new ATOM 91 N PHE A 14 38.355 2.446 24.517 1.00 0.00 N ATOM 92 CA PHE A 14 39.698 2.987 24.534 1.00 0.00 C ATOM 93 C PHE A 14 39.912 3.782 23.256 1.00 0.00 C ATOM 94 O PHE A 14 40.564 4.824 23.269 1.00 0.00 O ATOM 95 CB PHE A 14 40.705 1.846 24.638 1.00 0.00 C ATOM 0 H PHE A 14 38.306 1.460 24.262 1.00 0.00 H new ATOM 0 HA PHE A 14 39.837 3.643 25.393 1.00 0.00 H new ATOM 98 N LYS A 15 39.349 3.288 22.150 1.00 0.00 N ATOM 99 CA LYS A 15 39.457 3.958 20.871 1.00 0.00 C ATOM 100 C LYS A 15 38.638 5.238 20.918 1.00 0.00 C ATOM 101 O LYS A 15 38.978 6.222 20.265 1.00 0.00 O ATOM 102 CB LYS A 15 38.954 3.031 19.768 1.00 0.00 C ATOM 0 H LYS A 15 38.813 2.421 22.125 1.00 0.00 H new ATOM 0 HA LYS A 15 40.496 4.210 20.660 1.00 0.00 H new ATOM 105 N SER A 16 37.558 5.224 21.705 1.00 0.00 N ATOM 106 CA SER A 16 36.699 6.381 21.848 1.00 0.00 C ATOM 107 C SER A 16 37.462 7.495 22.551 1.00 0.00 C ATOM 108 O SER A 16 37.752 8.525 21.948 1.00 0.00 O ATOM 109 CB SER A 16 35.452 5.995 22.638 1.00 0.00 C ATOM 0 H SER A 16 37.265 4.414 22.252 1.00 0.00 H new ATOM 0 HA SER A 16 36.390 6.738 20.866 1.00 0.00 H new ATOM 112 N LEU A 17 37.786 7.287 23.829 1.00 0.00 N ATOM 113 CA LEU A 17 38.519 8.274 24.598 1.00 0.00 C ATOM 114 C LEU A 17 39.853 8.551 23.919 1.00 0.00 C ATOM 115 O LEU A 17 40.350 9.676 23.945 1.00 0.00 O ATOM 116 CB LEU A 17 38.732 7.755 26.017 1.00 0.00 C ATOM 0 H LEU A 17 37.549 6.441 24.346 1.00 0.00 H new ATOM 0 HA LEU A 17 37.953 9.204 24.649 1.00 0.00 H new ATOM 119 N GLY A 18 40.421 7.518 23.294 1.00 0.00 N ATOM 120 CA GLY A 18 41.687 7.632 22.604 1.00 0.00 C ATOM 121 C GLY A 18 41.512 8.447 21.332 1.00 0.00 C ATOM 122 O GLY A 18 42.478 9.010 20.822 1.00 0.00 O ATOM 0 H GLY A 18 40.010 6.585 23.258 1.00 0.00 H new ATOM 0 HA2 GLY A 18 42.423 8.107 23.252 1.00 0.00 H new ATOM 0 HA3 GLY A 18 42.069 6.641 22.361 1.00 0.00 H new ATOM 126 N GLY A 19 40.279 8.521 20.820 1.00 0.00 N ATOM 127 CA GLY A 19 39.993 9.279 19.617 1.00 0.00 C ATOM 128 C GLY A 19 39.939 10.756 19.974 1.00 0.00 C ATOM 129 O GLY A 19 40.452 11.597 19.239 1.00 0.00 O ATOM 0 H GLY A 19 39.466 8.060 21.229 1.00 0.00 H new ATOM 0 HA2 GLY A 19 40.762 9.100 18.865 1.00 0.00 H new ATOM 0 HA3 GLY A 19 39.044 8.959 19.185 1.00 0.00 H new ATOM 133 N SER A 20 39.323 11.063 21.118 1.00 0.00 N ATOM 134 CA SER A 20 39.236 12.431 21.587 1.00 0.00 C ATOM 135 C SER A 20 40.662 12.959 21.724 1.00 0.00 C ATOM 136 O SER A 20 40.958 14.062 21.275 1.00 0.00 O ATOM 137 CB SER A 20 38.516 12.460 22.932 1.00 0.00 C ATOM 0 H SER A 20 38.880 10.377 21.730 1.00 0.00 H new ATOM 0 HA SER A 20 38.675 13.054 20.891 1.00 0.00 H new ATOM 140 N MET A 21 41.546 12.166 22.345 1.00 0.00 N ATOM 141 CA MET A 21 42.942 12.518 22.537 1.00 0.00 C ATOM 142 C MET A 21 43.679 12.753 21.219 1.00 0.00 C ATOM 143 O MET A 21 44.424 13.719 21.091 1.00 0.00 O ATOM 144 CB MET A 21 43.624 11.398 23.319 1.00 0.00 C ATOM 0 H MET A 21 41.300 11.254 22.729 1.00 0.00 H new ATOM 0 HA MET A 21 42.979 13.458 23.088 1.00 0.00 H new ATOM 147 N LYS A 22 43.487 11.852 20.253 1.00 0.00 N ATOM 148 CA LYS A 22 44.148 11.957 18.960 1.00 0.00 C ATOM 149 C LYS A 22 43.689 13.222 18.245 1.00 0.00 C ATOM 150 O LYS A 22 44.490 14.106 17.945 1.00 0.00 O ATOM 151 CB LYS A 22 43.831 10.719 18.126 1.00 0.00 C ATOM 0 H LYS A 22 42.876 11.041 20.347 1.00 0.00 H new ATOM 0 HA LYS A 22 45.227 12.017 19.103 1.00 0.00 H new ATOM 154 N ALA A 23 42.383 13.295 17.987 1.00 0.00 N ATOM 155 CA ALA A 23 41.795 14.459 17.339 1.00 0.00 C ATOM 156 C ALA A 23 42.042 15.717 18.178 1.00 0.00 C ATOM 157 O ALA A 23 41.975 16.837 17.676 1.00 0.00 O ATOM 158 CB ALA A 23 40.299 14.226 17.143 1.00 0.00 C ATOM 0 H ALA A 23 41.715 12.560 18.218 1.00 0.00 H new ATOM 0 HA ALA A 23 42.262 14.606 16.365 1.00 0.00 H new ATOM 0 HB1 ALA A 23 39.856 15.096 16.658 1.00 0.00 H new ATOM 0 HB2 ALA A 23 40.147 13.346 16.519 1.00 0.00 H new ATOM 0 HB3 ALA A 23 39.825 14.070 18.112 1.00 0.00 H new ATOM 161 N MET A 24 42.334 15.503 19.462 1.00 0.00 N ATOM 162 CA MET A 24 42.586 16.573 20.408 1.00 0.00 C ATOM 163 C MET A 24 44.014 17.090 20.271 1.00 0.00 C ATOM 164 O MET A 24 44.247 18.295 20.316 1.00 0.00 O ATOM 165 CB MET A 24 42.335 16.062 21.824 1.00 0.00 C ATOM 0 H MET A 24 42.401 14.571 19.871 1.00 0.00 H new ATOM 0 HA MET A 24 41.910 17.402 20.198 1.00 0.00 H new ATOM 168 N THR A 25 44.967 16.168 20.112 1.00 0.00 N ATOM 169 CA THR A 25 46.372 16.510 20.001 1.00 0.00 C ATOM 170 C THR A 25 46.692 17.096 18.635 1.00 0.00 C ATOM 171 O THR A 25 47.570 17.951 18.521 1.00 0.00 O ATOM 172 CB THR A 25 47.212 15.261 20.257 1.00 0.00 C ATOM 0 H THR A 25 44.778 15.167 20.058 1.00 0.00 H new ATOM 0 HA THR A 25 46.609 17.270 20.745 1.00 0.00 H new ATOM 175 N GLY A 26 45.974 16.663 17.595 1.00 0.00 N ATOM 176 CA GLY A 26 46.199 17.163 16.255 1.00 0.00 C ATOM 177 C GLY A 26 45.541 18.529 16.174 1.00 0.00 C ATOM 178 O GLY A 26 46.141 19.489 15.696 1.00 0.00 O ATOM 0 H GLY A 26 45.233 15.966 17.666 1.00 0.00 H new ATOM 0 HA2 GLY A 26 47.266 17.236 16.045 1.00 0.00 H new ATOM 0 HA3 GLY A 26 45.774 16.486 15.514 1.00 0.00 H new ATOM 182 N VAL A 27 44.304 18.610 16.667 1.00 0.00 N ATOM 183 CA VAL A 27 43.581 19.860 16.701 1.00 0.00 C ATOM 184 C VAL A 27 44.370 20.812 17.587 1.00 0.00 C ATOM 185 O VAL A 27 44.435 22.010 17.324 1.00 0.00 O ATOM 186 CB VAL A 27 42.178 19.629 17.256 1.00 0.00 C ATOM 0 H VAL A 27 43.790 17.815 17.047 1.00 0.00 H new ATOM 0 HA VAL A 27 43.473 20.283 15.702 1.00 0.00 H new ATOM 189 N ALA A 28 44.989 20.273 18.639 1.00 0.00 N ATOM 190 CA ALA A 28 45.787 21.066 19.549 1.00 0.00 C ATOM 191 C ALA A 28 46.938 21.708 18.791 1.00 0.00 C ATOM 192 O ALA A 28 47.243 22.879 19.007 1.00 0.00 O ATOM 193 CB ALA A 28 46.312 20.172 20.670 1.00 0.00 C ATOM 0 H ALA A 28 44.946 19.282 18.875 1.00 0.00 H new ATOM 0 HA ALA A 28 45.177 21.856 19.986 1.00 0.00 H new ATOM 0 HB1 ALA A 28 46.914 20.766 21.358 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.472 19.733 21.209 1.00 0.00 H new ATOM 0 HB3 ALA A 28 46.925 19.378 20.245 1.00 0.00 H new ATOM 196 N LYS A 29 47.576 20.948 17.896 1.00 0.00 N ATOM 197 CA LYS A 29 48.690 21.455 17.121 1.00 0.00 C ATOM 198 C LYS A 29 48.196 22.379 16.016 1.00 0.00 C ATOM 199 O LYS A 29 48.340 23.595 16.124 1.00 0.00 O ATOM 200 CB LYS A 29 49.472 20.283 16.533 1.00 0.00 C ATOM 0 H LYS A 29 47.332 19.978 17.697 1.00 0.00 H new ATOM 0 HA LYS A 29 49.347 22.032 17.772 1.00 0.00 H new ATOM 203 N ALA A 30 47.621 21.794 14.959 1.00 0.00 N ATOM 204 CA ALA A 30 47.117 22.538 13.816 1.00 0.00 C ATOM 205 C ALA A 30 45.648 22.887 14.015 1.00 0.00 C ATOM 206 O ALA A 30 44.799 22.463 13.235 1.00 0.00 O ATOM 207 CB ALA A 30 47.290 21.691 12.559 1.00 0.00 C ATOM 0 H ALA A 30 47.495 20.785 14.879 1.00 0.00 H new ATOM 0 HA ALA A 30 47.677 23.468 13.713 1.00 0.00 H new ATOM 0 HB1 ALA A 30 46.915 22.240 11.696 1.00 0.00 H new ATOM 0 HB2 ALA A 30 48.347 21.466 12.415 1.00 0.00 H new ATOM 0 HB3 ALA A 30 46.732 20.761 12.667 1.00 0.00 H new ATOM 210 N PHE A 31 45.349 23.662 15.059 1.00 0.00 N ATOM 211 CA PHE A 31 43.987 24.060 15.351 1.00 0.00 C ATOM 212 C PHE A 31 43.472 25.027 14.297 1.00 0.00 C ATOM 213 O PHE A 31 44.151 25.303 13.311 1.00 0.00 O ATOM 214 CB PHE A 31 43.929 24.698 16.737 1.00 0.00 C ATOM 0 H PHE A 31 46.042 24.024 15.714 1.00 0.00 H new ATOM 0 HA PHE A 31 43.348 23.177 15.336 1.00 0.00 H new ATOM 217 N ASP A 32 42.259 25.538 14.518 1.00 0.00 N ATOM 218 CA ASP A 32 41.633 26.468 13.602 1.00 0.00 C ATOM 219 C ASP A 32 40.215 26.750 14.076 1.00 0.00 C ATOM 220 O ASP A 32 39.901 27.880 14.446 1.00 0.00 O ATOM 221 CB ASP A 32 41.628 25.874 12.196 1.00 0.00 C ATOM 0 H ASP A 32 41.693 25.314 15.336 1.00 0.00 H new ATOM 0 HA ASP A 32 42.190 27.405 13.576 1.00 0.00 H new ATOM 224 N ALA A 33 39.369 25.715 14.072 1.00 0.00 N ATOM 225 CA ALA A 33 37.986 25.829 14.495 1.00 0.00 C ATOM 226 C ALA A 33 37.237 24.560 14.114 1.00 0.00 C ATOM 227 O ALA A 33 36.553 23.963 14.943 1.00 0.00 O ATOM 228 CB ALA A 33 37.334 27.037 13.826 1.00 0.00 C ATOM 0 H ALA A 33 39.633 24.776 13.773 1.00 0.00 H new ATOM 0 HA ALA A 33 37.948 25.963 15.576 1.00 0.00 H new ATOM 0 HB1 ALA A 33 36.296 27.115 14.149 1.00 0.00 H new ATOM 0 HB2 ALA A 33 37.871 27.943 14.108 1.00 0.00 H new ATOM 0 HB3 ALA A 33 37.369 26.916 12.743 1.00 0.00 H new ATOM 231 N GLU A 34 37.378 24.150 12.852 1.00 0.00 N ATOM 232 CA GLU A 34 36.709 22.972 12.339 1.00 0.00 C ATOM 233 C GLU A 34 37.172 21.713 13.058 1.00 0.00 C ATOM 234 O GLU A 34 36.347 20.905 13.479 1.00 0.00 O ATOM 235 CB GLU A 34 36.972 22.859 10.840 1.00 0.00 C ATOM 0 H GLU A 34 37.960 24.630 12.165 1.00 0.00 H new ATOM 0 HA GLU A 34 35.638 23.072 12.517 1.00 0.00 H new ATOM 238 N ALA A 35 38.488 21.536 13.200 1.00 0.00 N ATOM 239 CA ALA A 35 39.042 20.362 13.846 1.00 0.00 C ATOM 240 C ALA A 35 38.546 20.244 15.279 1.00 0.00 C ATOM 241 O ALA A 35 38.019 19.201 15.660 1.00 0.00 O ATOM 242 CB ALA A 35 40.566 20.441 13.811 1.00 0.00 C ATOM 0 H ALA A 35 39.188 22.201 12.871 1.00 0.00 H new ATOM 0 HA ALA A 35 38.713 19.473 13.309 1.00 0.00 H new ATOM 0 HB1 ALA A 35 40.987 19.560 14.296 1.00 0.00 H new ATOM 0 HB2 ALA A 35 40.905 20.482 12.776 1.00 0.00 H new ATOM 0 HB3 ALA A 35 40.896 21.337 14.337 1.00 0.00 H new ATOM 245 N ALA A 36 38.730 21.307 16.069 1.00 0.00 N ATOM 246 CA ALA A 36 38.317 21.332 17.460 1.00 0.00 C ATOM 247 C ALA A 36 36.879 20.859 17.616 1.00 0.00 C ATOM 248 O ALA A 36 36.609 19.962 18.411 1.00 0.00 O ATOM 249 CB ALA A 36 38.476 22.748 18.007 1.00 0.00 C ATOM 0 H ALA A 36 39.171 22.171 15.753 1.00 0.00 H new ATOM 0 HA ALA A 36 38.950 20.649 18.027 1.00 0.00 H new ATOM 0 HB1 ALA A 36 38.167 22.771 19.052 1.00 0.00 H new ATOM 0 HB2 ALA A 36 39.520 23.052 17.931 1.00 0.00 H new ATOM 0 HB3 ALA A 36 37.855 23.433 17.430 1.00 0.00 H new ATOM 252 N LYS A 37 35.958 21.462 16.859 1.00 0.00 N ATOM 253 CA LYS A 37 34.556 21.094 16.915 1.00 0.00 C ATOM 254 C LYS A 37 34.388 19.594 16.700 1.00 0.00 C ATOM 255 O LYS A 37 33.670 18.936 17.448 1.00 0.00 O ATOM 256 CB LYS A 37 33.787 21.878 15.857 1.00 0.00 C ATOM 0 H LYS A 37 36.168 22.211 16.199 1.00 0.00 H new ATOM 0 HA LYS A 37 34.159 21.338 17.900 1.00 0.00 H new ATOM 259 N VAL A 38 35.056 19.055 15.677 1.00 0.00 N ATOM 260 CA VAL A 38 34.974 17.642 15.360 1.00 0.00 C ATOM 261 C VAL A 38 35.518 16.792 16.501 1.00 0.00 C ATOM 262 O VAL A 38 34.961 15.740 16.822 1.00 0.00 O ATOM 263 CB VAL A 38 35.748 17.370 14.074 1.00 0.00 C ATOM 0 H VAL A 38 35.663 19.588 15.054 1.00 0.00 H new ATOM 0 HA VAL A 38 33.928 17.372 15.218 1.00 0.00 H new ATOM 266 N GLU A 39 36.596 17.250 17.145 1.00 0.00 N ATOM 267 CA GLU A 39 37.195 16.511 18.232 1.00 0.00 C ATOM 268 C GLU A 39 36.190 16.499 19.367 1.00 0.00 C ATOM 269 O GLU A 39 35.977 15.467 19.991 1.00 0.00 O ATOM 270 CB GLU A 39 38.497 17.185 18.656 1.00 0.00 C ATOM 0 H GLU A 39 37.063 18.130 16.924 1.00 0.00 H new ATOM 0 HA GLU A 39 37.437 15.490 17.936 1.00 0.00 H new ATOM 273 N ALA A 40 35.581 17.660 19.619 1.00 0.00 N ATOM 274 CA ALA A 40 34.570 17.799 20.647 1.00 0.00 C ATOM 275 C ALA A 40 33.482 16.750 20.451 1.00 0.00 C ATOM 276 O ALA A 40 33.073 16.096 21.406 1.00 0.00 O ATOM 277 CB ALA A 40 33.979 19.204 20.583 1.00 0.00 C ATOM 0 H ALA A 40 35.780 18.523 19.113 1.00 0.00 H new ATOM 0 HA ALA A 40 35.020 17.647 21.628 1.00 0.00 H new ATOM 0 HB1 ALA A 40 33.217 19.314 21.355 1.00 0.00 H new ATOM 0 HB2 ALA A 40 34.768 19.938 20.745 1.00 0.00 H new ATOM 0 HB3 ALA A 40 33.529 19.365 19.603 1.00 0.00 H new ATOM 280 N ALA A 41 33.011 16.595 19.210 1.00 0.00 N ATOM 281 CA ALA A 41 31.980 15.622 18.896 1.00 0.00 C ATOM 282 C ALA A 41 32.414 14.241 19.371 1.00 0.00 C ATOM 283 O ALA A 41 31.670 13.552 20.072 1.00 0.00 O ATOM 284 CB ALA A 41 31.725 15.622 17.392 1.00 0.00 C ATOM 0 H ALA A 41 33.334 17.137 18.409 1.00 0.00 H new ATOM 0 HA ALA A 41 31.055 15.886 19.408 1.00 0.00 H new ATOM 0 HB1 ALA A 41 30.951 14.892 17.154 1.00 0.00 H new ATOM 0 HB2 ALA A 41 31.397 16.613 17.078 1.00 0.00 H new ATOM 0 HB3 ALA A 41 32.644 15.361 16.867 1.00 0.00 H new ATOM 287 N LYS A 42 33.637 13.845 19.010 1.00 0.00 N ATOM 288 CA LYS A 42 34.150 12.554 19.425 1.00 0.00 C ATOM 289 C LYS A 42 34.186 12.547 20.947 1.00 0.00 C ATOM 290 O LYS A 42 33.860 11.548 21.590 1.00 0.00 O ATOM 291 CB LYS A 42 35.546 12.347 18.843 1.00 0.00 C ATOM 0 H LYS A 42 34.277 14.397 18.439 1.00 0.00 H new ATOM 0 HA LYS A 42 33.518 11.742 19.065 1.00 0.00 H new ATOM 294 N LEU A 43 34.571 13.695 21.508 1.00 0.00 N ATOM 295 CA LEU A 43 34.661 13.879 22.938 1.00 0.00 C ATOM 296 C LEU A 43 33.342 13.487 23.573 1.00 0.00 C ATOM 297 O LEU A 43 33.302 12.481 24.270 1.00 0.00 O ATOM 298 CB LEU A 43 35.019 15.328 23.255 1.00 0.00 C ATOM 0 H LEU A 43 34.829 14.522 20.970 1.00 0.00 H new ATOM 0 HA LEU A 43 35.447 13.244 23.347 1.00 0.00 H new ATOM 301 N GLU A 44 32.286 14.269 23.313 1.00 0.00 N ATOM 302 CA GLU A 44 30.955 14.028 23.846 1.00 0.00 C ATOM 303 C GLU A 44 30.581 12.553 23.788 1.00 0.00 C ATOM 304 O GLU A 44 30.016 12.024 24.743 1.00 0.00 O ATOM 305 CB GLU A 44 29.945 14.865 23.066 1.00 0.00 C ATOM 0 H GLU A 44 32.342 15.096 22.718 1.00 0.00 H new ATOM 0 HA GLU A 44 30.946 14.320 24.896 1.00 0.00 H new ATOM 308 N LYS A 45 30.904 11.885 22.678 1.00 0.00 N ATOM 309 CA LYS A 45 30.616 10.468 22.546 1.00 0.00 C ATOM 310 C LYS A 45 31.287 9.717 23.693 1.00 0.00 C ATOM 311 O LYS A 45 30.703 8.807 24.277 1.00 0.00 O ATOM 312 CB LYS A 45 31.128 9.969 21.197 1.00 0.00 C ATOM 0 H LYS A 45 31.361 12.304 21.868 1.00 0.00 H new ATOM 0 HA LYS A 45 29.541 10.295 22.592 1.00 0.00 H new ATOM 315 N ILE A 46 32.518 10.123 24.013 1.00 0.00 N ATOM 316 CA ILE A 46 33.270 9.499 25.091 1.00 0.00 C ATOM 317 C ILE A 46 32.727 9.924 26.456 1.00 0.00 C ATOM 318 O ILE A 46 32.516 9.097 27.340 1.00 0.00 O ATOM 319 CB ILE A 46 34.743 9.876 24.960 1.00 0.00 C ATOM 0 H ILE A 46 33.010 10.880 23.539 1.00 0.00 H new ATOM 0 HA ILE A 46 33.164 8.417 25.016 1.00 0.00 H new ATOM 322 N LEU A 47 32.511 11.230 26.605 1.00 0.00 N ATOM 323 CA LEU A 47 32.023 11.816 27.835 1.00 0.00 C ATOM 324 C LEU A 47 30.778 11.109 28.352 1.00 0.00 C ATOM 325 O LEU A 47 30.784 10.596 29.469 1.00 0.00 O ATOM 326 CB LEU A 47 31.739 13.298 27.607 1.00 0.00 C ATOM 0 H LEU A 47 32.674 11.911 25.863 1.00 0.00 H new ATOM 0 HA LEU A 47 32.793 11.698 28.597 1.00 0.00 H new ATOM 329 N ALA A 48 29.700 11.116 27.562 1.00 0.00 N ATOM 330 CA ALA A 48 28.438 10.510 27.944 1.00 0.00 C ATOM 331 C ALA A 48 28.453 9.006 27.700 1.00 0.00 C ATOM 332 O ALA A 48 27.420 8.355 27.836 1.00 0.00 O ATOM 333 CB ALA A 48 27.310 11.165 27.153 1.00 0.00 C ATOM 0 H ALA A 48 29.687 11.546 26.637 1.00 0.00 H new ATOM 0 HA ALA A 48 28.279 10.669 29.011 1.00 0.00 H new ATOM 0 HB1 ALA A 48 26.358 10.714 27.435 1.00 0.00 H new ATOM 0 HB2 ALA A 48 27.285 12.233 27.371 1.00 0.00 H new ATOM 0 HB3 ALA A 48 27.480 11.017 26.087 1.00 0.00 H new ATOM 336 N THR A 49 29.605 8.455 27.307 1.00 0.00 N ATOM 337 CA THR A 49 29.723 7.051 26.965 1.00 0.00 C ATOM 338 C THR A 49 29.158 6.120 28.026 1.00 0.00 C ATOM 339 O THR A 49 28.119 5.511 27.781 1.00 0.00 O ATOM 340 CB THR A 49 31.188 6.719 26.694 1.00 0.00 C ATOM 0 H THR A 49 30.477 8.977 27.220 1.00 0.00 H new ATOM 0 HA THR A 49 29.123 6.887 26.070 1.00 0.00 H new ATOM 343 N ASP A 50 29.864 6.024 29.164 1.00 0.00 N ATOM 344 CA ASP A 50 29.555 5.161 30.302 1.00 0.00 C ATOM 345 C ASP A 50 30.790 4.313 30.575 1.00 0.00 C ATOM 346 O ASP A 50 30.816 3.131 30.241 1.00 0.00 O ATOM 347 CB ASP A 50 28.341 4.259 30.090 1.00 0.00 C ATOM 0 H ASP A 50 30.707 6.577 29.317 1.00 0.00 H new ATOM 0 HA ASP A 50 29.295 5.798 31.147 1.00 0.00 H new ATOM 350 N VAL A 51 31.814 4.923 31.180 1.00 0.00 N ATOM 351 CA VAL A 51 33.054 4.232 31.474 1.00 0.00 C ATOM 352 C VAL A 51 32.776 2.973 32.282 1.00 0.00 C ATOM 353 O VAL A 51 33.206 1.885 31.906 1.00 0.00 O ATOM 354 CB VAL A 51 33.987 5.168 32.237 1.00 0.00 C ATOM 0 H VAL A 51 31.799 5.900 31.474 1.00 0.00 H new ATOM 0 HA VAL A 51 33.534 3.936 30.541 1.00 0.00 H new ATOM 357 N ALA A 52 32.052 3.121 33.394 1.00 0.00 N ATOM 358 CA ALA A 52 31.722 1.997 34.245 1.00 0.00 C ATOM 359 C ALA A 52 30.719 1.099 33.536 1.00 0.00 C ATOM 360 O ALA A 52 29.530 1.134 33.846 1.00 0.00 O ATOM 361 CB ALA A 52 31.149 2.512 35.563 1.00 0.00 C ATOM 0 H ALA A 52 31.686 4.016 33.719 1.00 0.00 H new ATOM 0 HA ALA A 52 32.619 1.415 34.457 1.00 0.00 H new ATOM 0 HB1 ALA A 52 30.900 1.668 36.206 1.00 0.00 H new ATOM 0 HB2 ALA A 52 31.888 3.141 36.060 1.00 0.00 H new ATOM 0 HB3 ALA A 52 30.250 3.096 35.365 1.00 0.00 H new ATOM 364 N PRO A 53 31.202 0.293 32.586 1.00 0.00 N ATOM 365 CA PRO A 53 30.346 -0.609 31.841 1.00 0.00 C ATOM 366 C PRO A 53 31.163 -1.507 30.919 1.00 0.00 C ATOM 367 O PRO A 53 30.584 -2.224 30.105 1.00 0.00 O ATOM 368 CB PRO A 53 29.533 -1.458 32.814 1.00 0.00 C ATOM 0 HA PRO A 53 29.673 -0.016 31.221 1.00 0.00 H new ATOM 370 N LEU A 54 32.496 -1.461 31.040 1.00 0.00 N ATOM 371 CA LEU A 54 33.391 -2.276 30.238 1.00 0.00 C ATOM 372 C LEU A 54 34.649 -2.640 31.023 1.00 0.00 C ATOM 373 O LEU A 54 35.488 -3.370 30.499 1.00 0.00 O ATOM 374 CB LEU A 54 33.754 -1.521 28.963 1.00 0.00 C ATOM 0 H LEU A 54 32.977 -0.852 31.702 1.00 0.00 H new ATOM 0 HA LEU A 54 32.885 -3.205 29.976 1.00 0.00 H new ATOM 377 N PHE A 55 34.765 -2.141 32.264 1.00 0.00 N ATOM 378 CA PHE A 55 35.899 -2.401 33.137 1.00 0.00 C ATOM 379 C PHE A 55 35.432 -3.253 34.309 1.00 0.00 C ATOM 380 O PHE A 55 34.984 -2.719 35.321 1.00 0.00 O ATOM 381 CB PHE A 55 36.452 -1.070 33.640 1.00 0.00 C ATOM 0 H PHE A 55 34.059 -1.538 32.686 1.00 0.00 H new ATOM 0 HA PHE A 55 36.683 -2.932 32.597 1.00 0.00 H new ATOM 384 N PRO A 56 35.542 -4.577 34.169 1.00 0.00 N ATOM 385 CA PRO A 56 35.123 -5.499 35.206 1.00 0.00 C ATOM 386 C PRO A 56 35.809 -6.846 35.016 1.00 0.00 C ATOM 387 O PRO A 56 36.961 -6.896 34.589 1.00 0.00 O ATOM 388 CB PRO A 56 33.604 -5.648 35.156 1.00 0.00 C ATOM 0 HA PRO A 56 35.409 -5.112 36.184 1.00 0.00 H new ATOM 390 N ALA A 57 35.092 -7.926 35.343 1.00 0.00 N ATOM 391 CA ALA A 57 35.606 -9.277 35.214 1.00 0.00 C ATOM 392 C ALA A 57 36.205 -9.488 33.831 1.00 0.00 C ATOM 393 O ALA A 57 35.577 -10.113 32.978 1.00 0.00 O ATOM 394 CB ALA A 57 34.475 -10.271 35.465 1.00 0.00 C ATOM 0 H ALA A 57 34.139 -7.879 35.704 1.00 0.00 H new ATOM 0 HA ALA A 57 36.394 -9.436 35.950 1.00 0.00 H new ATOM 0 HB1 ALA A 57 34.856 -11.288 35.369 1.00 0.00 H new ATOM 0 HB2 ALA A 57 34.079 -10.125 36.470 1.00 0.00 H new ATOM 0 HB3 ALA A 57 33.681 -10.111 34.735 1.00 0.00 H new ATOM 397 N GLY A 58 37.424 -8.970 33.632 1.00 0.00 N ATOM 398 CA GLY A 58 38.142 -9.074 32.373 1.00 0.00 C ATOM 399 C GLY A 58 39.179 -10.184 32.466 1.00 0.00 C ATOM 400 O GLY A 58 38.865 -11.287 32.910 1.00 0.00 O ATOM 0 H GLY A 58 37.937 -8.463 34.353 1.00 0.00 H new ATOM 0 HA2 GLY A 58 37.445 -9.281 31.561 1.00 0.00 H new ATOM 0 HA3 GLY A 58 38.629 -8.127 32.141 1.00 0.00 H new ATOM 404 N THR A 59 40.415 -9.877 32.060 1.00 0.00 N ATOM 405 CA THR A 59 41.509 -10.829 32.092 1.00 0.00 C ATOM 406 C THR A 59 42.156 -10.806 33.469 1.00 0.00 C ATOM 407 O THR A 59 42.376 -11.854 34.073 1.00 0.00 O ATOM 408 CB THR A 59 42.528 -10.457 31.019 1.00 0.00 C ATOM 0 H THR A 59 40.676 -8.959 31.701 1.00 0.00 H new ATOM 0 HA THR A 59 41.137 -11.834 31.895 1.00 0.00 H new ATOM 411 N SER A 60 42.456 -9.603 33.963 1.00 0.00 N ATOM 412 CA SER A 60 43.076 -9.434 35.262 1.00 0.00 C ATOM 413 C SER A 60 44.508 -9.950 35.221 1.00 0.00 C ATOM 414 O SER A 60 44.782 -11.060 35.671 1.00 0.00 O ATOM 415 CB SER A 60 42.261 -10.179 36.316 1.00 0.00 C ATOM 0 H SER A 60 42.274 -8.728 33.471 1.00 0.00 H new ATOM 0 HA SER A 60 43.100 -8.376 35.523 1.00 0.00 H new ATOM 418 N SER A 61 45.423 -9.138 34.686 1.00 0.00 N ATOM 419 CA SER A 61 46.819 -9.516 34.583 1.00 0.00 C ATOM 420 C SER A 61 47.417 -9.703 35.971 1.00 0.00 C ATOM 421 O SER A 61 47.958 -10.763 36.277 1.00 0.00 O ATOM 422 CB SER A 61 47.578 -8.441 33.810 1.00 0.00 C ATOM 0 H SER A 61 45.212 -8.211 34.318 1.00 0.00 H new ATOM 0 HA SER A 61 46.901 -10.462 34.048 1.00 0.00 H new ATOM 425 N THR A 62 47.320 -8.666 36.806 1.00 0.00 N ATOM 426 CA THR A 62 47.848 -8.703 38.156 1.00 0.00 C ATOM 427 C THR A 62 47.310 -9.914 38.905 1.00 0.00 C ATOM 428 O THR A 62 47.999 -10.468 39.759 1.00 0.00 O ATOM 429 CB THR A 62 47.471 -7.413 38.879 1.00 0.00 C ATOM 0 H THR A 62 46.873 -7.783 36.559 1.00 0.00 H new ATOM 0 HA THR A 62 48.934 -8.788 38.117 1.00 0.00 H new ATOM 432 N ASP A 63 46.081 -10.325 38.582 1.00 0.00 N ATOM 433 CA ASP A 63 45.459 -11.467 39.224 1.00 0.00 C ATOM 434 C ASP A 63 46.364 -12.684 39.099 1.00 0.00 C ATOM 435 O ASP A 63 46.956 -13.108 40.090 1.00 0.00 O ATOM 436 CB ASP A 63 44.100 -11.734 38.583 1.00 0.00 C ATOM 0 H ASP A 63 45.501 -9.875 37.874 1.00 0.00 H new ATOM 0 HA ASP A 63 45.310 -11.257 40.283 1.00 0.00 H new ATOM 439 N LEU A 64 46.450 -13.236 37.883 1.00 0.00 N ATOM 440 CA LEU A 64 47.277 -14.394 37.586 1.00 0.00 C ATOM 441 C LEU A 64 47.962 -14.187 36.243 1.00 0.00 C ATOM 442 O LEU A 64 47.653 -13.236 35.528 1.00 0.00 O ATOM 443 CB LEU A 64 46.407 -15.647 37.562 1.00 0.00 C ATOM 0 H LEU A 64 45.939 -12.882 37.074 1.00 0.00 H new ATOM 0 HA LEU A 64 48.040 -14.517 38.355 1.00 0.00 H new ATOM 446 N PRO A 65 48.898 -15.077 35.905 1.00 0.00 N ATOM 447 CA PRO A 65 49.630 -14.982 34.659 1.00 0.00 C ATOM 448 C PRO A 65 48.707 -15.256 33.480 1.00 0.00 C ATOM 449 O PRO A 65 47.735 -15.997 33.606 1.00 0.00 O ATOM 450 CB PRO A 65 50.253 -13.593 34.543 1.00 0.00 C ATOM 0 HA PRO A 65 50.423 -15.730 34.648 1.00 0.00 H new ATOM 452 N GLY A 66 49.014 -14.644 32.334 1.00 0.00 N ATOM 453 CA GLY A 66 48.222 -14.820 31.133 1.00 0.00 C ATOM 454 C GLY A 66 48.778 -13.948 30.016 1.00 0.00 C ATOM 455 O GLY A 66 49.726 -13.196 30.230 1.00 0.00 O ATOM 0 H GLY A 66 49.813 -14.020 32.221 1.00 0.00 H new ATOM 0 HA2 GLY A 66 48.233 -15.867 30.829 1.00 0.00 H new ATOM 0 HA3 GLY A 66 47.183 -14.556 31.330 1.00 0.00 H new ATOM 459 N GLN A 67 48.187 -14.049 28.823 1.00 0.00 N ATOM 460 CA GLN A 67 48.629 -13.267 27.686 1.00 0.00 C ATOM 461 C GLN A 67 48.377 -11.790 27.959 1.00 0.00 C ATOM 462 O GLN A 67 49.170 -11.155 28.651 1.00 0.00 O ATOM 463 CB GLN A 67 47.894 -13.728 26.431 1.00 0.00 C ATOM 0 H GLN A 67 47.400 -14.668 28.628 1.00 0.00 H new ATOM 0 HA GLN A 67 49.698 -13.411 27.527 1.00 0.00 H new ATOM 466 N THR A 68 47.268 -11.267 27.422 1.00 0.00 N ATOM 467 CA THR A 68 46.870 -9.878 27.588 1.00 0.00 C ATOM 468 C THR A 68 48.044 -8.915 27.457 1.00 0.00 C ATOM 469 O THR A 68 49.030 -9.216 26.788 1.00 0.00 O ATOM 470 CB THR A 68 46.201 -9.712 28.950 1.00 0.00 C ATOM 0 H THR A 68 46.618 -11.810 26.854 1.00 0.00 H new ATOM 0 HA THR A 68 46.171 -9.631 26.789 1.00 0.00 H new ATOM 473 N GLU A 69 47.925 -7.760 28.118 1.00 0.00 N ATOM 474 CA GLU A 69 48.955 -6.739 28.122 1.00 0.00 C ATOM 475 C GLU A 69 48.803 -5.941 29.409 1.00 0.00 C ATOM 476 O GLU A 69 49.787 -5.602 30.062 1.00 0.00 O ATOM 477 CB GLU A 69 48.792 -5.842 26.899 1.00 0.00 C ATOM 0 H GLU A 69 47.101 -7.514 28.667 1.00 0.00 H new ATOM 0 HA GLU A 69 49.950 -7.182 28.077 1.00 0.00 H new ATOM 480 N ALA A 70 47.549 -5.662 29.772 1.00 0.00 N ATOM 481 CA ALA A 70 47.224 -4.935 30.982 1.00 0.00 C ATOM 482 C ALA A 70 45.768 -5.230 31.314 1.00 0.00 C ATOM 483 O ALA A 70 44.932 -5.253 30.413 1.00 0.00 O ATOM 484 CB ALA A 70 47.447 -3.442 30.764 1.00 0.00 C ATOM 0 H ALA A 70 46.733 -5.939 29.226 1.00 0.00 H new ATOM 0 HA ALA A 70 47.862 -5.243 31.810 1.00 0.00 H new ATOM 0 HB1 ALA A 70 47.201 -2.900 31.677 1.00 0.00 H new ATOM 0 HB2 ALA A 70 48.491 -3.264 30.506 1.00 0.00 H new ATOM 0 HB3 ALA A 70 46.809 -3.093 29.952 1.00 0.00 H new ATOM 487 N LYS A 71 45.471 -5.479 32.593 1.00 0.00 N ATOM 488 CA LYS A 71 44.118 -5.795 33.014 1.00 0.00 C ATOM 489 C LYS A 71 43.899 -5.493 34.492 1.00 0.00 C ATOM 490 O LYS A 71 43.054 -4.664 34.825 1.00 0.00 O ATOM 491 CB LYS A 71 43.839 -7.266 32.723 1.00 0.00 C ATOM 0 H LYS A 71 46.155 -5.466 33.349 1.00 0.00 H new ATOM 0 HA LYS A 71 43.425 -5.167 32.454 1.00 0.00 H new ATOM 494 N ALA A 72 44.655 -6.170 35.364 1.00 0.00 N ATOM 495 CA ALA A 72 44.513 -6.039 36.805 1.00 0.00 C ATOM 496 C ALA A 72 45.443 -4.997 37.414 1.00 0.00 C ATOM 497 O ALA A 72 45.207 -4.562 38.539 1.00 0.00 O ATOM 498 CB ALA A 72 44.774 -7.396 37.449 1.00 0.00 C ATOM 0 H ALA A 72 45.384 -6.825 35.081 1.00 0.00 H new ATOM 0 HA ALA A 72 43.497 -5.697 37.000 1.00 0.00 H new ATOM 0 HB1 ALA A 72 44.671 -7.311 38.531 1.00 0.00 H new ATOM 0 HB2 ALA A 72 44.054 -8.122 37.071 1.00 0.00 H new ATOM 0 HB3 ALA A 72 45.784 -7.726 37.206 1.00 0.00 H new ATOM 501 N ALA A 73 46.497 -4.589 36.703 1.00 0.00 N ATOM 502 CA ALA A 73 47.440 -3.621 37.231 1.00 0.00 C ATOM 503 C ALA A 73 46.733 -2.338 37.640 1.00 0.00 C ATOM 504 O ALA A 73 46.419 -2.153 38.814 1.00 0.00 O ATOM 505 CB ALA A 73 48.518 -3.339 36.189 1.00 0.00 C ATOM 0 H ALA A 73 46.712 -4.918 35.762 1.00 0.00 H new ATOM 0 HA ALA A 73 47.908 -4.035 38.124 1.00 0.00 H new ATOM 0 HB1 ALA A 73 49.226 -2.612 36.586 1.00 0.00 H new ATOM 0 HB2 ALA A 73 49.043 -4.264 35.949 1.00 0.00 H new ATOM 0 HB3 ALA A 73 48.056 -2.940 35.286 1.00 0.00 H new ATOM 508 N ILE A 74 46.492 -1.451 36.672 1.00 0.00 N ATOM 509 CA ILE A 74 45.826 -0.182 36.885 1.00 0.00 C ATOM 510 C ILE A 74 46.296 0.583 38.108 1.00 0.00 C ATOM 511 O ILE A 74 46.583 1.773 38.003 1.00 0.00 O ATOM 512 CB ILE A 74 44.316 -0.399 36.925 1.00 0.00 C ATOM 0 H ILE A 74 46.763 -1.606 35.701 1.00 0.00 H new ATOM 0 HA ILE A 74 46.097 0.451 36.040 1.00 0.00 H new ATOM 515 N TRP A 75 46.381 -0.072 39.267 1.00 0.00 N ATOM 516 CA TRP A 75 46.774 0.608 40.483 1.00 0.00 C ATOM 517 C TRP A 75 45.744 1.688 40.775 1.00 0.00 C ATOM 518 O TRP A 75 45.892 2.813 40.301 1.00 0.00 O ATOM 519 CB TRP A 75 48.171 1.201 40.318 1.00 0.00 C ATOM 0 H TRP A 75 46.183 -1.066 39.380 1.00 0.00 H new ATOM 0 HA TRP A 75 46.811 -0.089 41.321 1.00 0.00 H new ATOM 522 N ALA A 76 44.742 1.316 41.584 1.00 0.00 N ATOM 523 CA ALA A 76 43.608 2.147 41.963 1.00 0.00 C ATOM 524 C ALA A 76 42.377 1.254 41.966 1.00 0.00 C ATOM 525 O ALA A 76 41.920 0.835 40.905 1.00 0.00 O ATOM 526 CB ALA A 76 43.372 3.302 40.992 1.00 0.00 C ATOM 0 H ALA A 76 44.705 0.388 42.006 1.00 0.00 H new ATOM 0 HA ALA A 76 43.810 2.586 42.940 1.00 0.00 H new ATOM 0 HB1 ALA A 76 42.515 3.887 41.324 1.00 0.00 H new ATOM 0 HB2 ALA A 76 44.256 3.939 40.962 1.00 0.00 H new ATOM 0 HB3 ALA A 76 43.176 2.906 39.996 1.00 0.00 H new ATOM 529 N ASN A 77 41.831 0.963 43.149 1.00 0.00 N ATOM 530 CA ASN A 77 40.656 0.121 43.269 1.00 0.00 C ATOM 531 C ASN A 77 39.516 0.660 42.415 1.00 0.00 C ATOM 532 O ASN A 77 39.628 1.745 41.849 1.00 0.00 O ATOM 533 CB ASN A 77 40.238 0.047 44.735 1.00 0.00 C ATOM 0 H ASN A 77 42.193 1.305 44.039 1.00 0.00 H new ATOM 0 HA ASN A 77 40.896 -0.880 42.911 1.00 0.00 H new ATOM 536 N MET A 78 38.430 -0.115 42.327 1.00 0.00 N ATOM 537 CA MET A 78 37.254 0.247 41.551 1.00 0.00 C ATOM 538 C MET A 78 36.879 1.709 41.761 1.00 0.00 C ATOM 539 O MET A 78 36.386 2.361 40.844 1.00 0.00 O ATOM 540 CB MET A 78 36.094 -0.663 41.944 1.00 0.00 C ATOM 0 H MET A 78 38.348 -1.016 42.798 1.00 0.00 H new ATOM 0 HA MET A 78 37.480 0.117 40.493 1.00 0.00 H new ATOM 543 N ASP A 79 37.135 2.228 42.964 1.00 0.00 N ATOM 544 CA ASP A 79 36.835 3.610 43.282 1.00 0.00 C ATOM 545 C ASP A 79 37.807 4.554 42.584 1.00 0.00 C ATOM 546 O ASP A 79 37.385 5.413 41.813 1.00 0.00 O ATOM 547 CB ASP A 79 36.890 3.804 44.795 1.00 0.00 C ATOM 0 H ASP A 79 37.552 1.702 43.732 1.00 0.00 H new ATOM 0 HA ASP A 79 35.833 3.846 42.925 1.00 0.00 H new ATOM 550 N ASP A 80 39.106 4.401 42.855 1.00 0.00 N ATOM 551 CA ASP A 80 40.120 5.250 42.257 1.00 0.00 C ATOM 552 C ASP A 80 40.009 5.192 40.741 1.00 0.00 C ATOM 553 O ASP A 80 40.001 6.228 40.078 1.00 0.00 O ATOM 554 CB ASP A 80 41.500 4.802 42.727 1.00 0.00 C ATOM 0 H ASP A 80 39.474 3.691 43.489 1.00 0.00 H new ATOM 0 HA ASP A 80 39.970 6.284 42.569 1.00 0.00 H new ATOM 557 N PHE A 81 39.925 3.974 40.200 1.00 0.00 N ATOM 558 CA PHE A 81 39.776 3.776 38.774 1.00 0.00 C ATOM 559 C PHE A 81 38.550 4.559 38.335 1.00 0.00 C ATOM 560 O PHE A 81 38.604 5.305 37.360 1.00 0.00 O ATOM 561 CB PHE A 81 39.613 2.289 38.475 1.00 0.00 C ATOM 0 H PHE A 81 39.959 3.110 40.741 1.00 0.00 H new ATOM 0 HA PHE A 81 40.655 4.126 38.232 1.00 0.00 H new ATOM 564 N GLY A 82 37.451 4.394 39.078 1.00 0.00 N ATOM 565 CA GLY A 82 36.224 5.111 38.806 1.00 0.00 C ATOM 566 C GLY A 82 36.519 6.602 38.758 1.00 0.00 C ATOM 567 O GLY A 82 35.974 7.314 37.917 1.00 0.00 O ATOM 0 H GLY A 82 37.397 3.762 39.877 1.00 0.00 H new ATOM 0 HA2 GLY A 82 35.798 4.781 37.858 1.00 0.00 H new ATOM 0 HA3 GLY A 82 35.485 4.899 39.579 1.00 0.00 H new ATOM 571 N ALA A 83 37.394 7.075 39.653 1.00 0.00 N ATOM 572 CA ALA A 83 37.769 8.474 39.697 1.00 0.00 C ATOM 573 C ALA A 83 38.268 8.927 38.333 1.00 0.00 C ATOM 574 O ALA A 83 37.615 9.755 37.702 1.00 0.00 O ATOM 575 CB ALA A 83 38.841 8.682 40.763 1.00 0.00 C ATOM 0 H ALA A 83 37.853 6.497 40.357 1.00 0.00 H new ATOM 0 HA ALA A 83 36.897 9.075 39.955 1.00 0.00 H new ATOM 0 HB1 ALA A 83 39.122 9.735 40.795 1.00 0.00 H new ATOM 0 HB2 ALA A 83 38.451 8.381 41.735 1.00 0.00 H new ATOM 0 HB3 ALA A 83 39.717 8.080 40.521 1.00 0.00 H new ATOM 578 N LYS A 84 39.425 8.401 37.904 1.00 0.00 N ATOM 579 CA LYS A 84 40.029 8.738 36.618 1.00 0.00 C ATOM 580 C LYS A 84 38.980 8.769 35.515 1.00 0.00 C ATOM 581 O LYS A 84 39.067 9.569 34.588 1.00 0.00 O ATOM 582 CB LYS A 84 41.119 7.721 36.293 1.00 0.00 C ATOM 0 H LYS A 84 39.966 7.727 38.446 1.00 0.00 H new ATOM 0 HA LYS A 84 40.469 9.733 36.682 1.00 0.00 H new ATOM 585 N GLY A 85 38.003 7.875 35.642 1.00 0.00 N ATOM 586 CA GLY A 85 36.895 7.813 34.710 1.00 0.00 C ATOM 587 C GLY A 85 36.276 9.203 34.663 1.00 0.00 C ATOM 588 O GLY A 85 36.440 9.919 33.678 1.00 0.00 O ATOM 0 H GLY A 85 37.962 7.182 36.389 1.00 0.00 H new ATOM 0 HA2 GLY A 85 37.239 7.510 33.721 1.00 0.00 H new ATOM 0 HA3 GLY A 85 36.161 7.074 35.032 1.00 0.00 H new ATOM 592 N LYS A 86 35.567 9.554 35.740 1.00 0.00 N ATOM 593 CA LYS A 86 34.954 10.864 35.880 1.00 0.00 C ATOM 594 C LYS A 86 35.923 11.976 35.477 1.00 0.00 C ATOM 595 O LYS A 86 35.545 12.877 34.731 1.00 0.00 O ATOM 596 CB LYS A 86 34.494 11.052 37.323 1.00 0.00 C ATOM 0 H LYS A 86 35.406 8.934 36.534 1.00 0.00 H new ATOM 0 HA LYS A 86 34.094 10.922 35.212 1.00 0.00 H new ATOM 599 N ALA A 87 37.166 11.907 35.968 1.00 0.00 N ATOM 600 CA ALA A 87 38.179 12.904 35.664 1.00 0.00 C ATOM 601 C ALA A 87 38.296 13.098 34.160 1.00 0.00 C ATOM 602 O ALA A 87 38.274 14.226 33.666 1.00 0.00 O ATOM 603 CB ALA A 87 39.515 12.464 36.256 1.00 0.00 C ATOM 0 H ALA A 87 37.489 11.160 36.583 1.00 0.00 H new ATOM 0 HA ALA A 87 37.891 13.858 36.105 1.00 0.00 H new ATOM 0 HB1 ALA A 87 40.277 13.210 36.029 1.00 0.00 H new ATOM 0 HB2 ALA A 87 39.418 12.361 37.337 1.00 0.00 H new ATOM 0 HB3 ALA A 87 39.806 11.506 35.825 1.00 0.00 H new ATOM 606 N MET A 88 38.410 11.982 33.439 1.00 0.00 N ATOM 607 CA MET A 88 38.505 12.004 31.997 1.00 0.00 C ATOM 608 C MET A 88 37.286 12.743 31.478 1.00 0.00 C ATOM 609 O MET A 88 37.398 13.574 30.581 1.00 0.00 O ATOM 610 CB MET A 88 38.550 10.575 31.464 1.00 0.00 C ATOM 0 H MET A 88 38.438 11.047 33.845 1.00 0.00 H new ATOM 0 HA MET A 88 39.414 12.507 31.666 1.00 0.00 H new ATOM 613 N HIS A 89 36.122 12.449 32.064 1.00 0.00 N ATOM 614 CA HIS A 89 34.884 13.105 31.697 1.00 0.00 C ATOM 615 C HIS A 89 34.997 14.607 31.936 1.00 0.00 C ATOM 616 O HIS A 89 34.503 15.387 31.129 1.00 0.00 O ATOM 617 CB HIS A 89 33.738 12.515 32.513 1.00 0.00 C ATOM 0 H HIS A 89 36.021 11.752 32.802 1.00 0.00 H new ATOM 0 HA HIS A 89 34.685 12.942 30.638 1.00 0.00 H new ATOM 620 N GLU A 90 35.631 15.002 33.047 1.00 0.00 N ATOM 621 CA GLU A 90 35.817 16.415 33.359 1.00 0.00 C ATOM 622 C GLU A 90 36.421 17.122 32.146 1.00 0.00 C ATOM 623 O GLU A 90 35.953 18.176 31.722 1.00 0.00 O ATOM 624 CB GLU A 90 36.724 16.553 34.578 1.00 0.00 C ATOM 0 H GLU A 90 36.021 14.362 33.739 1.00 0.00 H new ATOM 0 HA GLU A 90 34.858 16.877 33.591 1.00 0.00 H new ATOM 627 N ALA A 91 37.457 16.494 31.591 1.00 0.00 N ATOM 628 CA ALA A 91 38.109 17.011 30.393 1.00 0.00 C ATOM 629 C ALA A 91 37.188 16.817 29.181 1.00 0.00 C ATOM 630 O ALA A 91 37.137 17.644 28.277 1.00 0.00 O ATOM 631 CB ALA A 91 39.435 16.285 30.184 1.00 0.00 C ATOM 0 H ALA A 91 37.860 15.629 31.952 1.00 0.00 H new ATOM 0 HA ALA A 91 38.308 18.076 30.510 1.00 0.00 H new ATOM 0 HB1 ALA A 91 39.924 16.670 29.289 1.00 0.00 H new ATOM 0 HB2 ALA A 91 40.079 16.448 31.048 1.00 0.00 H new ATOM 0 HB3 ALA A 91 39.250 15.217 30.066 1.00 0.00 H new ATOM 634 N GLY A 92 36.465 15.700 29.211 1.00 0.00 N ATOM 635 CA GLY A 92 35.540 15.336 28.151 1.00 0.00 C ATOM 636 C GLY A 92 34.522 16.446 27.884 1.00 0.00 C ATOM 637 O GLY A 92 34.529 17.070 26.823 1.00 0.00 O ATOM 0 H GLY A 92 36.507 15.024 29.974 1.00 0.00 H new ATOM 0 HA2 GLY A 92 36.097 15.126 27.238 1.00 0.00 H new ATOM 0 HA3 GLY A 92 35.016 14.420 28.423 1.00 0.00 H new ATOM 641 N GLY A 93 33.644 16.684 28.861 1.00 0.00 N ATOM 642 CA GLY A 93 32.594 17.675 28.751 1.00 0.00 C ATOM 643 C GLY A 93 33.155 19.089 28.699 1.00 0.00 C ATOM 644 O GLY A 93 32.633 19.929 27.970 1.00 0.00 O ATOM 0 H GLY A 93 33.649 16.187 29.752 1.00 0.00 H new ATOM 0 HA2 GLY A 93 32.006 17.484 27.853 1.00 0.00 H new ATOM 0 HA3 GLY A 93 31.917 17.583 29.600 1.00 0.00 H new ATOM 648 N ALA A 94 34.216 19.363 29.463 1.00 0.00 N ATOM 649 CA ALA A 94 34.815 20.681 29.493 1.00 0.00 C ATOM 650 C ALA A 94 35.468 20.997 28.156 1.00 0.00 C ATOM 651 O ALA A 94 35.447 22.145 27.715 1.00 0.00 O ATOM 652 CB ALA A 94 35.841 20.747 30.621 1.00 0.00 C ATOM 0 H ALA A 94 34.672 18.680 30.068 1.00 0.00 H new ATOM 0 HA ALA A 94 34.039 21.425 29.674 1.00 0.00 H new ATOM 0 HB1 ALA A 94 36.293 21.739 30.645 1.00 0.00 H new ATOM 0 HB2 ALA A 94 35.348 20.550 31.573 1.00 0.00 H new ATOM 0 HB3 ALA A 94 36.616 19.999 30.452 1.00 0.00 H new ATOM 655 N VAL A 95 36.045 19.985 27.501 1.00 0.00 N ATOM 656 CA VAL A 95 36.695 20.176 26.221 1.00 0.00 C ATOM 657 C VAL A 95 35.647 20.518 25.177 1.00 0.00 C ATOM 658 O VAL A 95 35.840 21.438 24.385 1.00 0.00 O ATOM 659 CB VAL A 95 37.452 18.912 25.823 1.00 0.00 C ATOM 0 H VAL A 95 36.070 19.025 27.846 1.00 0.00 H new ATOM 0 HA VAL A 95 37.411 20.994 26.293 1.00 0.00 H new ATOM 662 N ILE A 96 34.529 19.786 25.175 1.00 0.00 N ATOM 663 CA ILE A 96 33.460 20.041 24.233 1.00 0.00 C ATOM 664 C ILE A 96 32.931 21.447 24.474 1.00 0.00 C ATOM 665 O ILE A 96 32.582 22.155 23.532 1.00 0.00 O ATOM 666 CB ILE A 96 32.358 19.003 24.420 1.00 0.00 C ATOM 0 H ILE A 96 34.350 19.015 25.819 1.00 0.00 H new ATOM 0 HA ILE A 96 33.825 19.967 23.208 1.00 0.00 H new ATOM 669 N ALA A 97 32.888 21.853 25.746 1.00 0.00 N ATOM 670 CA ALA A 97 32.423 23.175 26.110 1.00 0.00 C ATOM 671 C ALA A 97 33.281 24.204 25.392 1.00 0.00 C ATOM 672 O ALA A 97 32.760 25.126 24.767 1.00 0.00 O ATOM 673 CB ALA A 97 32.516 23.349 27.623 1.00 0.00 C ATOM 0 H ALA A 97 33.173 21.275 26.537 1.00 0.00 H new ATOM 0 HA ALA A 97 31.382 23.309 25.815 1.00 0.00 H new ATOM 0 HB1 ALA A 97 32.166 24.344 27.897 1.00 0.00 H new ATOM 0 HB2 ALA A 97 31.897 22.599 28.114 1.00 0.00 H new ATOM 0 HB3 ALA A 97 33.552 23.229 27.940 1.00 0.00 H new ATOM 676 N ALA A 98 34.603 24.037 25.475 1.00 0.00 N ATOM 677 CA ALA A 98 35.532 24.937 24.823 1.00 0.00 C ATOM 678 C ALA A 98 35.278 24.908 23.323 1.00 0.00 C ATOM 679 O ALA A 98 35.398 25.929 22.650 1.00 0.00 O ATOM 680 CB ALA A 98 36.961 24.509 25.141 1.00 0.00 C ATOM 0 H ALA A 98 35.047 23.279 25.993 1.00 0.00 H new ATOM 0 HA ALA A 98 35.390 25.955 25.185 1.00 0.00 H new ATOM 0 HB1 ALA A 98 37.661 25.186 24.651 1.00 0.00 H new ATOM 0 HB2 ALA A 98 37.119 24.542 26.219 1.00 0.00 H new ATOM 0 HB3 ALA A 98 37.125 23.493 24.781 1.00 0.00 H new ATOM 683 N ALA A 99 34.913 23.733 22.805 1.00 0.00 N ATOM 684 CA ALA A 99 34.630 23.574 21.393 1.00 0.00 C ATOM 685 C ALA A 99 33.508 24.525 21.003 1.00 0.00 C ATOM 686 O ALA A 99 33.644 25.295 20.055 1.00 0.00 O ATOM 687 CB ALA A 99 34.237 22.127 21.113 1.00 0.00 C ATOM 0 H ALA A 99 34.809 22.879 23.353 1.00 0.00 H new ATOM 0 HA ALA A 99 35.514 23.811 20.802 1.00 0.00 H new ATOM 0 HB1 ALA A 99 34.024 22.007 20.051 1.00 0.00 H new ATOM 0 HB2 ALA A 99 35.056 21.466 21.396 1.00 0.00 H new ATOM 0 HB3 ALA A 99 33.349 21.872 21.692 1.00 0.00 H new ATOM 690 N ASN A 100 32.398 24.472 21.744 1.00 0.00 N ATOM 691 CA ASN A 100 31.261 25.331 21.484 1.00 0.00 C ATOM 692 C ASN A 100 31.642 26.774 21.781 1.00 0.00 C ATOM 693 O ASN A 100 31.466 27.650 20.938 1.00 0.00 O ATOM 694 CB ASN A 100 30.084 24.891 22.350 1.00 0.00 C ATOM 0 H ASN A 100 32.271 23.836 22.531 1.00 0.00 H new ATOM 0 HA ASN A 100 30.968 25.257 20.437 1.00 0.00 H new ATOM 697 N ALA A 101 32.168 27.015 22.985 1.00 0.00 N ATOM 698 CA ALA A 101 32.582 28.343 23.392 1.00 0.00 C ATOM 699 C ALA A 101 33.564 28.913 22.377 1.00 0.00 C ATOM 700 O ALA A 101 33.721 30.128 22.278 1.00 0.00 O ATOM 701 CB ALA A 101 33.220 28.271 24.777 1.00 0.00 C ATOM 0 H ALA A 101 32.314 26.296 23.693 1.00 0.00 H new ATOM 0 HA ALA A 101 31.714 29.001 23.437 1.00 0.00 H new ATOM 0 HB1 ALA A 101 33.533 29.268 25.086 1.00 0.00 H new ATOM 0 HB2 ALA A 101 32.496 27.880 25.491 1.00 0.00 H new ATOM 0 HB3 ALA A 101 34.088 27.613 24.744 1.00 0.00 H new ATOM 704 N GLY A 102 34.217 28.032 21.616 1.00 0.00 N ATOM 705 CA GLY A 102 35.172 28.444 20.607 1.00 0.00 C ATOM 706 C GLY A 102 36.505 28.823 21.238 1.00 0.00 C ATOM 707 O GLY A 102 37.323 29.480 20.598 1.00 0.00 O ATOM 0 H GLY A 102 34.094 27.022 21.687 1.00 0.00 H new ATOM 0 HA2 GLY A 102 35.321 27.636 19.891 1.00 0.00 H new ATOM 0 HA3 GLY A 102 34.775 29.293 20.051 1.00 0.00 H new ATOM 711 N ASP A 103 36.720 28.410 22.491 1.00 0.00 N ATOM 712 CA ASP A 103 37.950 28.696 23.205 1.00 0.00 C ATOM 713 C ASP A 103 39.002 27.665 22.819 1.00 0.00 C ATOM 714 O ASP A 103 39.151 26.650 23.492 1.00 0.00 O ATOM 715 CB ASP A 103 37.680 28.649 24.705 1.00 0.00 C ATOM 0 H ASP A 103 36.043 27.870 23.030 1.00 0.00 H new ATOM 0 HA ASP A 103 38.316 29.689 22.944 1.00 0.00 H new ATOM 718 N GLY A 104 39.730 27.928 21.731 1.00 0.00 N ATOM 719 CA GLY A 104 40.754 27.021 21.249 1.00 0.00 C ATOM 720 C GLY A 104 41.799 26.729 22.319 1.00 0.00 C ATOM 721 O GLY A 104 42.371 25.639 22.345 1.00 0.00 O ATOM 0 H GLY A 104 39.621 28.772 21.168 1.00 0.00 H new ATOM 0 HA2 GLY A 104 40.291 26.088 20.928 1.00 0.00 H new ATOM 0 HA3 GLY A 104 41.240 27.453 20.374 1.00 0.00 H new ATOM 725 N ALA A 105 42.035 27.684 23.222 1.00 0.00 N ATOM 726 CA ALA A 105 43.017 27.525 24.276 1.00 0.00 C ATOM 727 C ALA A 105 42.371 26.701 25.378 1.00 0.00 C ATOM 728 O ALA A 105 43.044 25.971 26.101 1.00 0.00 O ATOM 729 CB ALA A 105 43.431 28.898 24.798 1.00 0.00 C ATOM 0 H ALA A 105 41.549 28.581 23.236 1.00 0.00 H new ATOM 0 HA ALA A 105 43.912 27.022 23.910 1.00 0.00 H new ATOM 0 HB1 ALA A 105 44.170 28.778 25.591 1.00 0.00 H new ATOM 0 HB2 ALA A 105 43.863 29.481 23.985 1.00 0.00 H new ATOM 0 HB3 ALA A 105 42.557 29.416 25.192 1.00 0.00 H new ATOM 732 N ALA A 106 41.046 26.828 25.487 1.00 0.00 N ATOM 733 CA ALA A 106 40.281 26.111 26.481 1.00 0.00 C ATOM 734 C ALA A 106 40.140 24.659 26.054 1.00 0.00 C ATOM 735 O ALA A 106 40.173 23.769 26.897 1.00 0.00 O ATOM 736 CB ALA A 106 38.911 26.763 26.637 1.00 0.00 C ATOM 0 H ALA A 106 40.485 27.431 24.885 1.00 0.00 H new ATOM 0 HA ALA A 106 40.793 26.146 27.443 1.00 0.00 H new ATOM 0 HB1 ALA A 106 38.334 26.222 27.387 1.00 0.00 H new ATOM 0 HB2 ALA A 106 39.035 27.799 26.952 1.00 0.00 H new ATOM 0 HB3 ALA A 106 38.384 26.735 25.683 1.00 0.00 H new ATOM 739 N PHE A 107 40.000 24.417 24.747 1.00 0.00 N ATOM 740 CA PHE A 107 39.842 23.078 24.215 1.00 0.00 C ATOM 741 C PHE A 107 41.191 22.378 24.119 1.00 0.00 C ATOM 742 O PHE A 107 41.255 21.152 24.179 1.00 0.00 O ATOM 743 CB PHE A 107 39.187 23.161 22.839 1.00 0.00 C ATOM 0 H PHE A 107 39.994 25.149 24.037 1.00 0.00 H new ATOM 0 HA PHE A 107 39.208 22.497 24.885 1.00 0.00 H new ATOM 746 N GLY A 108 42.269 23.154 23.979 1.00 0.00 N ATOM 747 CA GLY A 108 43.601 22.590 23.885 1.00 0.00 C ATOM 748 C GLY A 108 44.093 22.193 25.273 1.00 0.00 C ATOM 749 O GLY A 108 44.614 21.095 25.469 1.00 0.00 O ATOM 0 H GLY A 108 42.237 24.172 23.929 1.00 0.00 H new ATOM 0 HA2 GLY A 108 43.592 21.719 23.230 1.00 0.00 H new ATOM 0 HA3 GLY A 108 44.283 23.316 23.441 1.00 0.00 H new ATOM 753 N ALA A 109 43.892 23.083 26.248 1.00 0.00 N ATOM 754 CA ALA A 109 44.331 22.847 27.608 1.00 0.00 C ATOM 755 C ALA A 109 43.425 21.815 28.261 1.00 0.00 C ATOM 756 O ALA A 109 43.894 20.954 29.002 1.00 0.00 O ATOM 757 CB ALA A 109 44.302 24.161 28.383 1.00 0.00 C ATOM 0 H ALA A 109 43.423 23.978 26.110 1.00 0.00 H new ATOM 0 HA ALA A 109 45.351 22.463 27.610 1.00 0.00 H new ATOM 0 HB1 ALA A 109 44.632 23.987 29.407 1.00 0.00 H new ATOM 0 HB2 ALA A 109 44.967 24.880 27.905 1.00 0.00 H new ATOM 0 HB3 ALA A 109 43.286 24.556 28.391 1.00 0.00 H new ATOM 760 N ALA A 110 42.124 21.899 27.975 1.00 0.00 N ATOM 761 CA ALA A 110 41.172 20.961 28.532 1.00 0.00 C ATOM 762 C ALA A 110 41.457 19.572 27.986 1.00 0.00 C ATOM 763 O ALA A 110 41.551 18.616 28.754 1.00 0.00 O ATOM 764 CB ALA A 110 39.742 21.379 28.206 1.00 0.00 C ATOM 0 H ALA A 110 41.716 22.606 27.363 1.00 0.00 H new ATOM 0 HA ALA A 110 41.277 20.952 29.617 1.00 0.00 H new ATOM 0 HB1 ALA A 110 39.046 20.659 28.635 1.00 0.00 H new ATOM 0 HB2 ALA A 110 39.547 22.366 28.625 1.00 0.00 H new ATOM 0 HB3 ALA A 110 39.610 21.411 27.125 1.00 0.00 H new ATOM 767 N LEU A 111 41.604 19.445 26.664 1.00 0.00 N ATOM 768 CA LEU A 111 41.865 18.173 26.031 1.00 0.00 C ATOM 769 C LEU A 111 43.213 17.612 26.450 1.00 0.00 C ATOM 770 O LEU A 111 43.387 16.395 26.454 1.00 0.00 O ATOM 771 CB LEU A 111 41.804 18.345 24.516 1.00 0.00 C ATOM 0 H LEU A 111 41.543 20.228 26.013 1.00 0.00 H new ATOM 0 HA LEU A 111 41.104 17.461 26.349 1.00 0.00 H new ATOM 774 N GLN A 112 44.176 18.467 26.810 1.00 0.00 N ATOM 775 CA GLN A 112 45.476 18.002 27.242 1.00 0.00 C ATOM 776 C GLN A 112 45.312 17.419 28.635 1.00 0.00 C ATOM 777 O GLN A 112 45.994 16.462 28.995 1.00 0.00 O ATOM 778 CB GLN A 112 46.460 19.168 27.251 1.00 0.00 C ATOM 0 H GLN A 112 44.069 19.481 26.807 1.00 0.00 H new ATOM 0 HA GLN A 112 45.868 17.242 26.566 1.00 0.00 H new ATOM 781 N LYS A 113 44.389 17.991 29.413 1.00 0.00 N ATOM 782 CA LYS A 113 44.111 17.506 30.747 1.00 0.00 C ATOM 783 C LYS A 113 43.605 16.082 30.598 1.00 0.00 C ATOM 784 O LYS A 113 43.980 15.197 31.363 1.00 0.00 O ATOM 785 CB LYS A 113 43.064 18.397 31.410 1.00 0.00 C ATOM 0 H LYS A 113 43.825 18.793 29.131 1.00 0.00 H new ATOM 0 HA LYS A 113 45.000 17.526 31.377 1.00 0.00 H new ATOM 788 N LEU A 114 42.761 15.867 29.585 1.00 0.00 N ATOM 789 CA LEU A 114 42.237 14.552 29.289 1.00 0.00 C ATOM 790 C LEU A 114 43.389 13.708 28.760 1.00 0.00 C ATOM 791 O LEU A 114 43.421 12.495 28.958 1.00 0.00 O ATOM 792 CB LEU A 114 41.129 14.670 28.247 1.00 0.00 C ATOM 0 H LEU A 114 42.430 16.600 28.958 1.00 0.00 H new ATOM 0 HA LEU A 114 41.814 14.086 30.179 1.00 0.00 H new ATOM 795 N GLY A 115 44.343 14.368 28.096 1.00 0.00 N ATOM 796 CA GLY A 115 45.502 13.696 27.543 1.00 0.00 C ATOM 797 C GLY A 115 46.304 13.052 28.663 1.00 0.00 C ATOM 798 O GLY A 115 46.609 11.862 28.608 1.00 0.00 O ATOM 0 H GLY A 115 44.326 15.375 27.933 1.00 0.00 H new ATOM 0 HA2 GLY A 115 45.187 12.938 26.826 1.00 0.00 H new ATOM 0 HA3 GLY A 115 46.124 14.409 27.001 1.00 0.00 H new ATOM 802 N GLY A 116 46.643 13.841 29.686 1.00 0.00 N ATOM 803 CA GLY A 116 47.400 13.350 30.818 1.00 0.00 C ATOM 804 C GLY A 116 46.514 12.484 31.704 1.00 0.00 C ATOM 805 O GLY A 116 47.017 11.694 32.501 1.00 0.00 O ATOM 0 H GLY A 116 46.398 14.829 29.744 1.00 0.00 H new ATOM 0 HA2 GLY A 116 48.256 12.772 30.470 1.00 0.00 H new ATOM 0 HA3 GLY A 116 47.794 14.188 31.393 1.00 0.00 H new ATOM 809 N THR A 117 45.194 12.625 31.561 1.00 0.00 N ATOM 810 CA THR A 117 44.254 11.850 32.344 1.00 0.00 C ATOM 811 C THR A 117 44.278 10.407 31.861 1.00 0.00 C ATOM 812 O THR A 117 44.605 9.500 32.623 1.00 0.00 O ATOM 813 CB THR A 117 42.857 12.447 32.202 1.00 0.00 C ATOM 0 H THR A 117 44.760 13.274 30.905 1.00 0.00 H new ATOM 0 HA THR A 117 44.532 11.874 33.398 1.00 0.00 H new ATOM 816 N CYS A 118 43.934 10.198 30.588 1.00 0.00 N ATOM 817 CA CYS A 118 43.931 8.873 30.005 1.00 0.00 C ATOM 818 C CYS A 118 45.340 8.303 30.064 1.00 0.00 C ATOM 819 O CYS A 118 45.536 7.165 30.486 1.00 0.00 O ATOM 820 CB CYS A 118 43.437 8.952 28.563 1.00 0.00 C ATOM 0 H CYS A 118 43.654 10.940 29.946 1.00 0.00 H new ATOM 0 HA CYS A 118 43.262 8.217 30.562 1.00 0.00 H new ATOM 823 N LYS A 119 46.323 9.104 29.644 1.00 0.00 N ATOM 824 CA LYS A 119 47.712 8.690 29.659 1.00 0.00 C ATOM 825 C LYS A 119 48.092 8.257 31.067 1.00 0.00 C ATOM 826 O LYS A 119 48.707 7.209 31.246 1.00 0.00 O ATOM 827 CB LYS A 119 48.591 9.848 29.193 1.00 0.00 C ATOM 0 H LYS A 119 46.172 10.048 29.289 1.00 0.00 H new ATOM 0 HA LYS A 119 47.859 7.848 28.983 1.00 0.00 H new ATOM 830 N ALA A 120 47.720 9.070 32.059 1.00 0.00 N ATOM 831 CA ALA A 120 48.005 8.776 33.451 1.00 0.00 C ATOM 832 C ALA A 120 47.512 7.379 33.803 1.00 0.00 C ATOM 833 O ALA A 120 48.197 6.635 34.501 1.00 0.00 O ATOM 834 CB ALA A 120 47.334 9.823 34.336 1.00 0.00 C ATOM 0 H ALA A 120 47.216 9.944 31.913 1.00 0.00 H new ATOM 0 HA ALA A 120 49.082 8.808 33.617 1.00 0.00 H new ATOM 0 HB1 ALA A 120 47.546 9.605 35.383 1.00 0.00 H new ATOM 0 HB2 ALA A 120 47.719 10.812 34.086 1.00 0.00 H new ATOM 0 HB3 ALA A 120 46.257 9.801 34.172 1.00 0.00 H new ATOM 837 N CYS A 121 46.326 7.018 33.308 1.00 0.00 N ATOM 838 CA CYS A 121 45.755 5.712 33.569 1.00 0.00 C ATOM 839 C CYS A 121 46.710 4.636 33.069 1.00 0.00 C ATOM 840 O CYS A 121 47.091 3.743 33.821 1.00 0.00 O ATOM 841 CB CYS A 121 44.401 5.600 32.874 1.00 0.00 C ATOM 0 H CYS A 121 45.747 7.620 32.723 1.00 0.00 H new ATOM 0 HA CYS A 121 45.606 5.577 34.640 1.00 0.00 H new ATOM 844 N HIS A 122 47.098 4.730 31.795 1.00 0.00 N ATOM 845 CA HIS A 122 48.011 3.773 31.201 1.00 0.00 C ATOM 846 C HIS A 122 49.313 3.761 31.989 1.00 0.00 C ATOM 847 O HIS A 122 49.894 2.703 32.219 1.00 0.00 O ATOM 848 CB HIS A 122 48.262 4.149 29.744 1.00 0.00 C ATOM 0 H HIS A 122 46.788 5.465 31.159 1.00 0.00 H new ATOM 0 HA HIS A 122 47.577 2.774 31.232 1.00 0.00 H new ATOM 851 N ASP A 123 49.764 4.945 32.409 1.00 0.00 N ATOM 852 CA ASP A 123 50.988 5.077 33.172 1.00 0.00 C ATOM 853 C ASP A 123 50.835 4.361 34.506 1.00 0.00 C ATOM 854 O ASP A 123 51.825 3.961 35.115 1.00 0.00 O ATOM 855 CB ASP A 123 51.296 6.556 33.385 1.00 0.00 C ATOM 0 H ASP A 123 49.288 5.829 32.227 1.00 0.00 H new ATOM 0 HA ASP A 123 51.816 4.623 32.627 1.00 0.00 H new ATOM 858 N ASP A 124 49.589 4.191 34.954 1.00 0.00 N ATOM 859 CA ASP A 124 49.310 3.518 36.206 1.00 0.00 C ATOM 860 C ASP A 124 49.471 2.017 36.014 1.00 0.00 C ATOM 861 O ASP A 124 50.222 1.372 36.742 1.00 0.00 O ATOM 862 CB ASP A 124 47.894 3.858 36.662 1.00 0.00 C ATOM 0 H ASP A 124 48.759 4.516 34.458 1.00 0.00 H new ATOM 0 HA ASP A 124 50.009 3.850 36.974 1.00 0.00 H new ATOM 865 N TYR A 125 48.765 1.465 35.023 1.00 0.00 N ATOM 866 CA TYR A 125 48.829 0.047 34.729 1.00 0.00 C ATOM 867 C TYR A 125 50.113 -0.266 33.974 1.00 0.00 C ATOM 868 O TYR A 125 50.085 -0.954 32.956 1.00 0.00 O ATOM 869 CB TYR A 125 47.610 -0.358 33.905 1.00 0.00 C ATOM 0 H TYR A 125 48.141 1.991 34.412 1.00 0.00 H new ATOM 0 HA TYR A 125 48.828 -0.520 35.660 1.00 0.00 H new ATOM 872 N ARG A 126 51.240 0.247 34.472 1.00 0.00 N ATOM 873 CA ARG A 126 52.526 0.017 33.846 1.00 0.00 C ATOM 874 C ARG A 126 52.773 -1.480 33.725 1.00 0.00 C ATOM 875 O ARG A 126 53.748 -1.996 34.267 1.00 0.00 O ATOM 876 CB ARG A 126 53.622 0.682 34.674 1.00 0.00 C ATOM 0 H ARG A 126 51.279 0.826 35.311 1.00 0.00 H new ATOM 0 HA ARG A 126 52.534 0.451 32.846 1.00 0.00 H new ATOM 879 N GLU A 127 51.885 -2.177 33.013 1.00 0.00 N ATOM 880 CA GLU A 127 52.006 -3.609 32.827 1.00 0.00 C ATOM 881 C GLU A 127 53.318 -3.933 32.125 1.00 0.00 C ATOM 882 O GLU A 127 54.040 -3.031 31.706 1.00 0.00 O ATOM 883 CB GLU A 127 50.819 -4.119 32.016 1.00 0.00 C ATOM 0 H GLU A 127 51.073 -1.762 32.557 1.00 0.00 H new ATOM 0 HA GLU A 127 52.006 -4.105 33.798 1.00 0.00 H new ATOM 886 N GLU A 128 53.625 -5.226 32.000 1.00 0.00 N ATOM 887 CA GLU A 128 54.845 -5.665 31.353 1.00 0.00 C ATOM 888 C GLU A 128 54.706 -5.525 29.844 1.00 0.00 C ATOM 889 O GLU A 128 55.468 -4.794 29.214 1.00 0.00 O ATOM 890 CB GLU A 128 55.130 -7.114 31.738 1.00 0.00 C ATOM 0 H GLU A 128 53.036 -5.985 32.343 1.00 0.00 H new ATOM 0 HA GLU A 128 55.680 -5.045 31.680 1.00 0.00 H new ATOM 893 N ASP A 129 53.731 -6.228 29.265 1.00 0.00 N ATOM 894 CA ASP A 129 53.497 -6.180 27.836 1.00 0.00 C ATOM 895 C ASP A 129 54.658 -6.837 27.102 1.00 0.00 C ATOM 896 O ASP A 129 54.551 -6.955 25.862 1.00 0.00 O ATOM 897 CB ASP A 129 53.332 -4.728 27.397 1.00 0.00 C ATOM 0 H ASP A 129 53.092 -6.838 29.774 1.00 0.00 H new ATOM 0 HA ASP A 129 52.584 -6.725 27.594 1.00 0.00 H new TER 900 ASP A 129 HETATM 901 FE HEM A 130 42.694 4.312 28.693 1.00 0.00 FE