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+ -119:sc= 0.176 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 45.987 -12.518 18.385 1.00 0.00 N ATOM 2 CA ALA A 1 44.858 -12.473 19.292 1.00 0.00 C ATOM 3 C ALA A 1 43.609 -12.948 18.564 1.00 0.00 C ATOM 4 O ALA A 1 43.667 -13.281 17.382 1.00 0.00 O ATOM 5 CB ALA A 1 44.680 -11.046 19.804 1.00 0.00 C ATOM 0 H1 ALA A 1 46.705 -13.172 18.757 1.00 0.00 H new ATOM 0 H2 ALA A 1 45.669 -12.847 17.451 1.00 0.00 H new ATOM 0 H3 ALA A 1 46.398 -11.567 18.295 1.00 0.00 H new ATOM 0 HA ALA A 1 45.033 -13.129 20.145 1.00 0.00 H new ATOM 0 HB1 ALA A 1 43.831 -11.008 20.487 1.00 0.00 H new ATOM 0 HB2 ALA A 1 45.582 -10.732 20.329 1.00 0.00 H new ATOM 0 HB3 ALA A 1 44.499 -10.377 18.962 1.00 0.00 H new ATOM 7 N ASP A 2 42.478 -12.977 19.272 1.00 0.00 N ATOM 8 CA ASP A 2 41.222 -13.410 18.692 1.00 0.00 C ATOM 9 C ASP A 2 40.145 -13.444 19.767 1.00 0.00 C ATOM 10 O ASP A 2 39.119 -12.779 19.641 1.00 0.00 O ATOM 11 CB ASP A 2 41.402 -14.789 18.064 1.00 0.00 C ATOM 0 H ASP A 2 42.415 -12.703 20.252 1.00 0.00 H new ATOM 0 HA ASP A 2 40.913 -12.710 17.916 1.00 0.00 H new ATOM 14 N THR A 3 40.381 -14.221 20.826 1.00 0.00 N ATOM 15 CA THR A 3 39.433 -14.339 21.916 1.00 0.00 C ATOM 16 C THR A 3 39.434 -13.061 22.742 1.00 0.00 C ATOM 17 O THR A 3 40.040 -12.067 22.348 1.00 0.00 O ATOM 18 CB THR A 3 39.801 -15.542 22.780 1.00 0.00 C ATOM 0 H THR A 3 41.228 -14.777 20.944 1.00 0.00 H new ATOM 0 HA THR A 3 38.430 -14.488 21.516 1.00 0.00 H new ATOM 21 N LYS A 4 38.750 -13.094 23.889 1.00 0.00 N ATOM 22 CA LYS A 4 38.667 -11.948 24.774 1.00 0.00 C ATOM 23 C LYS A 4 37.783 -10.880 24.147 1.00 0.00 C ATOM 24 O LYS A 4 38.280 -9.874 23.645 1.00 0.00 O ATOM 25 CB LYS A 4 40.066 -11.408 25.056 1.00 0.00 C ATOM 0 H LYS A 4 38.244 -13.915 24.221 1.00 0.00 H new ATOM 0 HA LYS A 4 38.222 -12.249 25.722 1.00 0.00 H new ATOM 28 N GLU A 5 36.467 -11.099 24.185 1.00 0.00 N ATOM 29 CA GLU A 5 35.515 -10.162 23.625 1.00 0.00 C ATOM 30 C GLU A 5 35.443 -8.922 24.504 1.00 0.00 C ATOM 31 O GLU A 5 35.470 -7.800 24.003 1.00 0.00 O ATOM 32 CB GLU A 5 34.147 -10.831 23.523 1.00 0.00 C ATOM 0 H GLU A 5 36.042 -11.927 24.603 1.00 0.00 H new ATOM 0 HA GLU A 5 35.833 -9.861 22.627 1.00 0.00 H new ATOM 35 N VAL A 6 35.358 -9.127 25.820 1.00 0.00 N ATOM 36 CA VAL A 6 35.283 -8.032 26.766 1.00 0.00 C ATOM 37 C VAL A 6 36.529 -7.167 26.659 1.00 0.00 C ATOM 38 O VAL A 6 36.440 -5.942 26.710 1.00 0.00 O ATOM 39 CB VAL A 6 35.131 -8.590 28.178 1.00 0.00 C ATOM 0 H VAL A 6 35.340 -10.052 26.249 1.00 0.00 H new ATOM 0 HA VAL A 6 34.416 -7.411 26.539 1.00 0.00 H new ATOM 42 N LEU A 7 37.694 -7.800 26.501 1.00 0.00 N ATOM 43 CA LEU A 7 38.943 -7.076 26.381 1.00 0.00 C ATOM 44 C LEU A 7 38.973 -6.348 25.046 1.00 0.00 C ATOM 45 O LEU A 7 39.284 -5.162 24.997 1.00 0.00 O ATOM 46 CB LEU A 7 40.111 -8.053 26.494 1.00 0.00 C ATOM 0 H LEU A 7 37.789 -8.814 26.454 1.00 0.00 H new ATOM 0 HA LEU A 7 39.029 -6.342 27.182 1.00 0.00 H new ATOM 49 N GLU A 8 38.647 -7.067 23.970 1.00 0.00 N ATOM 50 CA GLU A 8 38.624 -6.495 22.637 1.00 0.00 C ATOM 51 C GLU A 8 37.746 -5.251 22.616 1.00 0.00 C ATOM 52 O GLU A 8 38.131 -4.222 22.062 1.00 0.00 O ATOM 53 CB GLU A 8 38.115 -7.536 21.645 1.00 0.00 C ATOM 0 H GLU A 8 38.394 -8.055 24.005 1.00 0.00 H new ATOM 0 HA GLU A 8 39.634 -6.202 22.349 1.00 0.00 H new ATOM 56 N ALA A 9 36.567 -5.336 23.235 1.00 0.00 N ATOM 57 CA ALA A 9 35.658 -4.213 23.292 1.00 0.00 C ATOM 58 C ALA A 9 36.373 -3.103 24.036 1.00 0.00 C ATOM 59 O ALA A 9 36.332 -1.946 23.624 1.00 0.00 O ATOM 60 CB ALA A 9 34.374 -4.622 24.007 1.00 0.00 C ATOM 0 H ALA A 9 36.228 -6.177 23.702 1.00 0.00 H new ATOM 0 HA ALA A 9 35.378 -3.874 22.295 1.00 0.00 H new ATOM 0 HB1 ALA A 9 33.693 -3.772 24.047 1.00 0.00 H new ATOM 0 HB2 ALA A 9 33.901 -5.441 23.465 1.00 0.00 H new ATOM 0 HB3 ALA A 9 34.609 -4.946 25.021 1.00 0.00 H new ATOM 63 N ARG A 10 37.049 -3.465 25.128 1.00 0.00 N ATOM 64 CA ARG A 10 37.806 -2.509 25.904 1.00 0.00 C ATOM 65 C ARG A 10 38.869 -1.895 25.006 1.00 0.00 C ATOM 66 O ARG A 10 39.254 -0.744 25.199 1.00 0.00 O ATOM 67 CB ARG A 10 38.443 -3.213 27.098 1.00 0.00 C ATOM 0 H ARG A 10 37.081 -4.419 25.487 1.00 0.00 H new ATOM 0 HA ARG A 10 37.156 -1.720 26.282 1.00 0.00 H new ATOM 70 N GLU A 11 39.335 -2.657 24.010 1.00 0.00 N ATOM 71 CA GLU A 11 40.339 -2.158 23.094 1.00 0.00 C ATOM 72 C GLU A 11 39.720 -1.008 22.318 1.00 0.00 C ATOM 73 O GLU A 11 40.371 0.001 22.054 1.00 0.00 O ATOM 74 CB GLU A 11 40.777 -3.278 22.155 1.00 0.00 C ATOM 0 H GLU A 11 39.029 -3.613 23.827 1.00 0.00 H new ATOM 0 HA GLU A 11 41.222 -1.809 23.629 1.00 0.00 H new ATOM 77 N ALA A 12 38.443 -1.170 21.971 1.00 0.00 N ATOM 78 CA ALA A 12 37.704 -0.163 21.233 1.00 0.00 C ATOM 79 C ALA A 12 37.511 1.063 22.114 1.00 0.00 C ATOM 80 O ALA A 12 37.735 2.190 21.677 1.00 0.00 O ATOM 81 CB ALA A 12 36.352 -0.738 20.818 1.00 0.00 C ATOM 0 H ALA A 12 37.899 -2.003 22.196 1.00 0.00 H new ATOM 0 HA ALA A 12 38.255 0.128 20.339 1.00 0.00 H new ATOM 0 HB1 ALA A 12 35.792 0.014 20.263 1.00 0.00 H new ATOM 0 HB2 ALA A 12 36.507 -1.614 20.188 1.00 0.00 H new ATOM 0 HB3 ALA A 12 35.791 -1.026 21.707 1.00 0.00 H new ATOM 84 N TYR A 13 37.099 0.834 23.363 1.00 0.00 N ATOM 85 CA TYR A 13 36.874 1.907 24.310 1.00 0.00 C ATOM 86 C TYR A 13 38.150 2.715 24.490 1.00 0.00 C ATOM 87 O TYR A 13 38.097 3.909 24.785 1.00 0.00 O ATOM 88 CB TYR A 13 36.418 1.317 25.642 1.00 0.00 C ATOM 0 H TYR A 13 36.915 -0.097 23.736 1.00 0.00 H new ATOM 0 HA TYR A 13 36.097 2.573 23.933 1.00 0.00 H new ATOM 91 N PHE A 14 39.302 2.069 24.292 1.00 0.00 N ATOM 92 CA PHE A 14 40.583 2.729 24.430 1.00 0.00 C ATOM 93 C PHE A 14 40.798 3.618 23.217 1.00 0.00 C ATOM 94 O PHE A 14 41.276 4.743 23.344 1.00 0.00 O ATOM 95 CB PHE A 14 41.687 1.681 24.539 1.00 0.00 C ATOM 0 H PHE A 14 39.363 1.084 24.034 1.00 0.00 H new ATOM 0 HA PHE A 14 40.605 3.340 25.332 1.00 0.00 H new ATOM 98 N LYS A 15 40.430 3.111 22.038 1.00 0.00 N ATOM 99 CA LYS A 15 40.558 3.863 20.808 1.00 0.00 C ATOM 100 C LYS A 15 39.621 5.061 20.867 1.00 0.00 C ATOM 101 O LYS A 15 39.891 6.095 20.260 1.00 0.00 O ATOM 102 CB LYS A 15 40.215 2.964 19.624 1.00 0.00 C ATOM 0 H LYS A 15 40.040 2.176 21.919 1.00 0.00 H new ATOM 0 HA LYS A 15 41.581 4.217 20.684 1.00 0.00 H new ATOM 105 N SER A 16 38.522 4.919 21.612 1.00 0.00 N ATOM 106 CA SER A 16 37.551 5.985 21.759 1.00 0.00 C ATOM 107 C SER A 16 38.181 7.143 22.520 1.00 0.00 C ATOM 108 O SER A 16 38.390 8.215 21.958 1.00 0.00 O ATOM 109 CB SER A 16 36.321 5.457 22.492 1.00 0.00 C ATOM 0 H SER A 16 38.289 4.067 22.122 1.00 0.00 H new ATOM 0 HA SER A 16 37.241 6.343 20.777 1.00 0.00 H new ATOM 112 N LEU A 17 38.478 6.929 23.805 1.00 0.00 N ATOM 113 CA LEU A 17 39.092 7.956 24.624 1.00 0.00 C ATOM 114 C LEU A 17 40.414 8.377 23.995 1.00 0.00 C ATOM 115 O LEU A 17 40.825 9.531 24.105 1.00 0.00 O ATOM 116 CB LEU A 17 39.312 7.415 26.034 1.00 0.00 C ATOM 0 H LEU A 17 38.300 6.051 24.293 1.00 0.00 H new ATOM 0 HA LEU A 17 38.440 8.827 24.684 1.00 0.00 H new ATOM 119 N GLY A 18 41.068 7.433 23.316 1.00 0.00 N ATOM 120 CA GLY A 18 42.334 7.686 22.665 1.00 0.00 C ATOM 121 C GLY A 18 42.112 8.564 21.444 1.00 0.00 C ATOM 122 O GLY A 18 43.018 9.282 21.026 1.00 0.00 O ATOM 0 H GLY A 18 40.728 6.477 23.208 1.00 0.00 H new ATOM 0 HA2 GLY A 18 43.019 8.175 23.357 1.00 0.00 H new ATOM 0 HA3 GLY A 18 42.797 6.745 22.369 1.00 0.00 H new ATOM 126 N GLY A 19 40.905 8.521 20.872 1.00 0.00 N ATOM 127 CA GLY A 19 40.576 9.324 19.710 1.00 0.00 C ATOM 128 C GLY A 19 40.389 10.768 20.148 1.00 0.00 C ATOM 129 O GLY A 19 40.823 11.689 19.460 1.00 0.00 O ATOM 0 H GLY A 19 40.141 7.932 21.204 1.00 0.00 H new ATOM 0 HA2 GLY A 19 41.370 9.255 18.967 1.00 0.00 H new ATOM 0 HA3 GLY A 19 39.666 8.952 19.240 1.00 0.00 H new ATOM 133 N SER A 20 39.744 10.956 21.303 1.00 0.00 N ATOM 134 CA SER A 20 39.548 12.284 21.853 1.00 0.00 C ATOM 135 C SER A 20 40.933 12.908 22.013 1.00 0.00 C ATOM 136 O SER A 20 41.154 14.040 21.592 1.00 0.00 O ATOM 137 CB SER A 20 38.840 12.178 23.200 1.00 0.00 C ATOM 0 H SER A 20 39.353 10.202 21.868 1.00 0.00 H new ATOM 0 HA SER A 20 38.929 12.901 21.201 1.00 0.00 H new ATOM 140 N MET A 21 41.869 12.163 22.617 1.00 0.00 N ATOM 141 CA MET A 21 43.237 12.610 22.802 1.00 0.00 C ATOM 142 C MET A 21 43.926 12.872 21.463 1.00 0.00 C ATOM 143 O MET A 21 44.697 13.818 21.332 1.00 0.00 O ATOM 144 CB MET A 21 44.001 11.545 23.582 1.00 0.00 C ATOM 0 H MET A 21 41.687 11.231 22.989 1.00 0.00 H new ATOM 0 HA MET A 21 43.227 13.549 23.355 1.00 0.00 H new ATOM 147 N LYS A 22 43.657 12.007 20.483 1.00 0.00 N ATOM 148 CA LYS A 22 44.253 12.124 19.160 1.00 0.00 C ATOM 149 C LYS A 22 43.725 13.349 18.421 1.00 0.00 C ATOM 150 O LYS A 22 44.453 14.316 18.208 1.00 0.00 O ATOM 151 CB LYS A 22 43.972 10.853 18.365 1.00 0.00 C ATOM 0 H LYS A 22 43.025 11.214 20.587 1.00 0.00 H new ATOM 0 HA LYS A 22 45.330 12.250 19.271 1.00 0.00 H new ATOM 154 N ALA A 23 42.453 13.290 18.024 1.00 0.00 N ATOM 155 CA ALA A 23 41.828 14.397 17.316 1.00 0.00 C ATOM 156 C ALA A 23 41.910 15.659 18.175 1.00 0.00 C ATOM 157 O ALA A 23 41.840 16.777 17.669 1.00 0.00 O ATOM 158 CB ALA A 23 40.376 14.045 17.006 1.00 0.00 C ATOM 0 H ALA A 23 41.841 12.489 18.182 1.00 0.00 H new ATOM 0 HA ALA A 23 42.349 14.582 16.376 1.00 0.00 H new ATOM 0 HB1 ALA A 23 39.906 14.873 16.476 1.00 0.00 H new ATOM 0 HB2 ALA A 23 40.343 13.151 16.384 1.00 0.00 H new ATOM 0 HB3 ALA A 23 39.840 13.859 17.937 1.00 0.00 H new ATOM 161 N MET A 24 42.067 15.447 19.482 1.00 0.00 N ATOM 162 CA MET A 24 42.149 16.526 20.447 1.00 0.00 C ATOM 163 C MET A 24 43.527 17.179 20.448 1.00 0.00 C ATOM 164 O MET A 24 43.628 18.403 20.442 1.00 0.00 O ATOM 165 CB MET A 24 41.816 15.983 21.834 1.00 0.00 C ATOM 0 H MET A 24 42.140 14.517 19.895 1.00 0.00 H new ATOM 0 HA MET A 24 41.429 17.295 20.168 1.00 0.00 H new ATOM 168 N THR A 25 44.585 16.365 20.460 1.00 0.00 N ATOM 169 CA THR A 25 45.949 16.864 20.497 1.00 0.00 C ATOM 170 C THR A 25 46.374 17.424 19.146 1.00 0.00 C ATOM 171 O THR A 25 47.255 18.280 19.083 1.00 0.00 O ATOM 172 CB THR A 25 46.884 15.735 20.923 1.00 0.00 C ATOM 0 H THR A 25 44.514 15.348 20.444 1.00 0.00 H new ATOM 0 HA THR A 25 46.003 17.679 21.219 1.00 0.00 H new ATOM 175 N GLY A 26 45.744 16.953 18.068 1.00 0.00 N ATOM 176 CA GLY A 26 46.054 17.420 16.730 1.00 0.00 C ATOM 177 C GLY A 26 45.330 18.742 16.532 1.00 0.00 C ATOM 178 O GLY A 26 45.921 19.734 16.111 1.00 0.00 O ATOM 0 H GLY A 26 45.012 16.244 18.104 1.00 0.00 H new ATOM 0 HA2 GLY A 26 47.129 17.549 16.608 1.00 0.00 H new ATOM 0 HA3 GLY A 26 45.734 16.691 15.985 1.00 0.00 H new ATOM 182 N VAL A 27 44.036 18.736 16.858 1.00 0.00 N ATOM 183 CA VAL A 27 43.214 19.922 16.754 1.00 0.00 C ATOM 184 C VAL A 27 43.773 20.969 17.707 1.00 0.00 C ATOM 185 O VAL A 27 43.689 22.166 17.443 1.00 0.00 O ATOM 186 CB VAL A 27 41.771 19.576 17.110 1.00 0.00 C ATOM 0 H VAL A 27 43.541 17.912 17.198 1.00 0.00 H new ATOM 0 HA VAL A 27 43.225 20.314 15.737 1.00 0.00 H new ATOM 189 N ALA A 28 44.358 20.503 18.814 1.00 0.00 N ATOM 190 CA ALA A 28 44.938 21.380 19.811 1.00 0.00 C ATOM 191 C ALA A 28 46.195 22.045 19.270 1.00 0.00 C ATOM 192 O ALA A 28 46.410 23.234 19.495 1.00 0.00 O ATOM 193 CB ALA A 28 45.266 20.576 21.065 1.00 0.00 C ATOM 0 H ALA A 28 44.438 19.511 19.035 1.00 0.00 H new ATOM 0 HA ALA A 28 44.219 22.160 20.060 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.702 21.235 21.816 1.00 0.00 H new ATOM 0 HB2 ALA A 28 44.353 20.130 21.460 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.977 19.788 20.816 1.00 0.00 H new ATOM 196 N LYS A 29 47.028 21.284 18.554 1.00 0.00 N ATOM 197 CA LYS A 29 48.260 21.810 18.001 1.00 0.00 C ATOM 198 C LYS A 29 47.954 22.743 16.839 1.00 0.00 C ATOM 199 O LYS A 29 48.711 23.675 16.576 1.00 0.00 O ATOM 200 CB LYS A 29 49.142 20.652 17.544 1.00 0.00 C ATOM 0 H LYS A 29 46.862 20.299 18.348 1.00 0.00 H new ATOM 0 HA LYS A 29 48.790 22.380 18.764 1.00 0.00 H new ATOM 203 N ALA A 30 46.840 22.496 16.147 1.00 0.00 N ATOM 204 CA ALA A 30 46.440 23.313 15.019 1.00 0.00 C ATOM 205 C ALA A 30 45.978 24.676 15.520 1.00 0.00 C ATOM 206 O ALA A 30 46.618 25.266 16.387 1.00 0.00 O ATOM 207 CB ALA A 30 45.333 22.596 14.251 1.00 0.00 C ATOM 0 H ALA A 30 46.201 21.729 16.357 1.00 0.00 H new ATOM 0 HA ALA A 30 47.281 23.469 14.344 1.00 0.00 H new ATOM 0 HB1 ALA A 30 45.027 23.205 13.401 1.00 0.00 H new ATOM 0 HB2 ALA A 30 45.702 21.634 13.894 1.00 0.00 H new ATOM 0 HB3 ALA A 30 44.479 22.436 14.909 1.00 0.00 H new ATOM 210 N PHE A 31 44.863 25.176 14.981 1.00 0.00 N ATOM 211 CA PHE A 31 44.335 26.464 15.382 1.00 0.00 C ATOM 212 C PHE A 31 43.008 26.717 14.681 1.00 0.00 C ATOM 213 O PHE A 31 42.960 27.448 13.694 1.00 0.00 O ATOM 214 CB PHE A 31 45.345 27.554 15.036 1.00 0.00 C ATOM 0 H PHE A 31 44.314 24.700 14.265 1.00 0.00 H new ATOM 0 HA PHE A 31 44.162 26.473 16.458 1.00 0.00 H new ATOM 217 N ASP A 32 41.933 26.114 15.197 1.00 0.00 N ATOM 218 CA ASP A 32 40.605 26.267 14.636 1.00 0.00 C ATOM 219 C ASP A 32 39.579 25.982 15.723 1.00 0.00 C ATOM 220 O ASP A 32 39.910 26.059 16.905 1.00 0.00 O ATOM 221 CB ASP A 32 40.435 25.306 13.463 1.00 0.00 C ATOM 0 H ASP A 32 41.968 25.507 16.016 1.00 0.00 H new ATOM 0 HA ASP A 32 40.461 27.283 14.270 1.00 0.00 H new ATOM 224 N ALA A 33 38.348 25.654 15.312 1.00 0.00 N ATOM 225 CA ALA A 33 37.259 25.355 16.228 1.00 0.00 C ATOM 226 C ALA A 33 36.418 24.209 15.682 1.00 0.00 C ATOM 227 O ALA A 33 35.807 23.470 16.450 1.00 0.00 O ATOM 228 CB ALA A 33 36.403 26.605 16.414 1.00 0.00 C ATOM 0 H ALA A 33 38.086 25.590 14.328 1.00 0.00 H new ATOM 0 HA ALA A 33 37.665 25.052 17.193 1.00 0.00 H new ATOM 0 HB1 ALA A 33 35.585 26.387 17.100 1.00 0.00 H new ATOM 0 HB2 ALA A 33 37.016 27.408 16.824 1.00 0.00 H new ATOM 0 HB3 ALA A 33 35.997 26.914 15.451 1.00 0.00 H new ATOM 231 N GLU A 34 36.393 24.053 14.357 1.00 0.00 N ATOM 232 CA GLU A 34 35.628 22.997 13.726 1.00 0.00 C ATOM 233 C GLU A 34 36.127 21.639 14.199 1.00 0.00 C ATOM 234 O GLU A 34 35.331 20.775 14.561 1.00 0.00 O ATOM 235 CB GLU A 34 35.754 23.118 12.210 1.00 0.00 C ATOM 0 H GLU A 34 36.899 24.652 13.705 1.00 0.00 H new ATOM 0 HA GLU A 34 34.578 23.091 14.002 1.00 0.00 H new ATOM 238 N ALA A 35 37.450 21.453 14.201 1.00 0.00 N ATOM 239 CA ALA A 35 38.050 20.202 14.621 1.00 0.00 C ATOM 240 C ALA A 35 37.682 19.897 16.066 1.00 0.00 C ATOM 241 O ALA A 35 37.259 18.784 16.372 1.00 0.00 O ATOM 242 CB ALA A 35 39.565 20.292 14.461 1.00 0.00 C ATOM 0 H ALA A 35 38.123 22.164 13.913 1.00 0.00 H new ATOM 0 HA ALA A 35 37.671 19.392 13.998 1.00 0.00 H new ATOM 0 HB1 ALA A 35 40.021 19.353 14.776 1.00 0.00 H new ATOM 0 HB2 ALA A 35 39.810 20.482 13.416 1.00 0.00 H new ATOM 0 HB3 ALA A 35 39.948 21.106 15.077 1.00 0.00 H new ATOM 245 N ALA A 36 37.850 20.886 16.949 1.00 0.00 N ATOM 246 CA ALA A 36 37.546 20.733 18.360 1.00 0.00 C ATOM 247 C ALA A 36 36.144 20.174 18.558 1.00 0.00 C ATOM 248 O ALA A 36 35.964 19.199 19.284 1.00 0.00 O ATOM 249 CB ALA A 36 37.688 22.084 19.055 1.00 0.00 C ATOM 0 H ALA A 36 38.200 21.811 16.698 1.00 0.00 H new ATOM 0 HA ALA A 36 38.249 20.025 18.799 1.00 0.00 H new ATOM 0 HB1 ALA A 36 37.460 21.973 20.115 1.00 0.00 H new ATOM 0 HB2 ALA A 36 38.709 22.447 18.939 1.00 0.00 H new ATOM 0 HB3 ALA A 36 36.996 22.798 18.608 1.00 0.00 H new ATOM 252 N LYS A 37 35.151 20.790 17.912 1.00 0.00 N ATOM 253 CA LYS A 37 33.775 20.345 18.020 1.00 0.00 C ATOM 254 C LYS A 37 33.674 18.875 17.637 1.00 0.00 C ATOM 255 O LYS A 37 33.062 18.085 18.353 1.00 0.00 O ATOM 256 CB LYS A 37 32.893 21.201 17.114 1.00 0.00 C ATOM 0 H LYS A 37 35.284 21.601 17.308 1.00 0.00 H new ATOM 0 HA LYS A 37 33.434 20.455 19.049 1.00 0.00 H new ATOM 259 N VAL A 38 34.284 18.511 16.507 1.00 0.00 N ATOM 260 CA VAL A 38 34.267 17.141 16.034 1.00 0.00 C ATOM 261 C VAL A 38 34.818 16.221 17.115 1.00 0.00 C ATOM 262 O VAL A 38 34.256 15.159 17.389 1.00 0.00 O ATOM 263 CB VAL A 38 35.097 17.035 14.758 1.00 0.00 C ATOM 0 H VAL A 38 34.796 19.156 15.905 1.00 0.00 H new ATOM 0 HA VAL A 38 33.244 16.838 15.811 1.00 0.00 H new ATOM 266 N GLU A 39 35.910 16.640 17.759 1.00 0.00 N ATOM 267 CA GLU A 39 36.520 15.850 18.802 1.00 0.00 C ATOM 268 C GLU A 39 35.511 15.740 19.928 1.00 0.00 C ATOM 269 O GLU A 39 35.341 14.669 20.499 1.00 0.00 O ATOM 270 CB GLU A 39 37.802 16.529 19.277 1.00 0.00 C ATOM 0 H GLU A 39 36.381 17.524 17.568 1.00 0.00 H new ATOM 0 HA GLU A 39 36.788 14.856 18.444 1.00 0.00 H new ATOM 273 N ALA A 40 34.842 16.856 20.229 1.00 0.00 N ATOM 274 CA ALA A 40 33.826 16.909 21.263 1.00 0.00 C ATOM 275 C ALA A 40 32.802 15.802 21.060 1.00 0.00 C ATOM 276 O ALA A 40 32.528 15.041 21.985 1.00 0.00 O ATOM 277 CB ALA A 40 33.140 18.271 21.212 1.00 0.00 C ATOM 0 H ALA A 40 34.996 17.747 19.756 1.00 0.00 H new ATOM 0 HA ALA A 40 34.294 16.767 22.237 1.00 0.00 H new ATOM 0 HB1 ALA A 40 32.374 18.322 21.986 1.00 0.00 H new ATOM 0 HB2 ALA A 40 33.877 19.056 21.379 1.00 0.00 H new ATOM 0 HB3 ALA A 40 32.678 18.409 20.234 1.00 0.00 H new ATOM 280 N ALA A 41 32.235 15.732 19.851 1.00 0.00 N ATOM 281 CA ALA A 41 31.250 14.721 19.514 1.00 0.00 C ATOM 282 C ALA A 41 31.806 13.350 19.868 1.00 0.00 C ATOM 283 O ALA A 41 31.114 12.527 20.467 1.00 0.00 O ATOM 284 CB ALA A 41 30.921 14.806 18.027 1.00 0.00 C ATOM 0 H ALA A 41 32.450 16.374 19.088 1.00 0.00 H new ATOM 0 HA ALA A 41 30.332 14.886 20.079 1.00 0.00 H new ATOM 0 HB1 ALA A 41 30.181 14.047 17.774 1.00 0.00 H new ATOM 0 HB2 ALA A 41 30.520 15.794 17.799 1.00 0.00 H new ATOM 0 HB3 ALA A 41 31.827 14.639 17.444 1.00 0.00 H new ATOM 287 N LYS A 42 33.074 13.123 19.521 1.00 0.00 N ATOM 288 CA LYS A 42 33.720 11.865 19.837 1.00 0.00 C ATOM 289 C LYS A 42 33.729 11.692 21.353 1.00 0.00 C ATOM 290 O LYS A 42 33.388 10.630 21.868 1.00 0.00 O ATOM 291 CB LYS A 42 35.142 11.869 19.282 1.00 0.00 C ATOM 0 H LYS A 42 33.663 13.792 19.026 1.00 0.00 H new ATOM 0 HA LYS A 42 33.180 11.033 19.385 1.00 0.00 H new ATOM 294 N LEU A 43 34.116 12.758 22.058 1.00 0.00 N ATOM 295 CA LEU A 43 34.194 12.768 23.504 1.00 0.00 C ATOM 296 C LEU A 43 32.885 12.336 24.147 1.00 0.00 C ATOM 297 O LEU A 43 32.852 11.322 24.840 1.00 0.00 O ATOM 298 CB LEU A 43 34.585 14.166 23.976 1.00 0.00 C ATOM 0 H LEU A 43 34.385 13.643 21.628 1.00 0.00 H new ATOM 0 HA LEU A 43 34.952 12.048 23.811 1.00 0.00 H new ATOM 301 N GLU A 44 31.812 13.107 23.948 1.00 0.00 N ATOM 302 CA GLU A 44 30.517 12.815 24.535 1.00 0.00 C ATOM 303 C GLU A 44 30.085 11.371 24.308 1.00 0.00 C ATOM 304 O GLU A 44 29.660 10.692 25.240 1.00 0.00 O ATOM 305 CB GLU A 44 29.483 13.770 23.945 1.00 0.00 C ATOM 0 H GLU A 44 31.825 13.950 23.374 1.00 0.00 H new ATOM 0 HA GLU A 44 30.596 12.953 25.613 1.00 0.00 H new ATOM 308 N LYS A 45 30.187 10.906 23.063 1.00 0.00 N ATOM 309 CA LYS A 45 29.769 9.561 22.721 1.00 0.00 C ATOM 310 C LYS A 45 30.656 8.499 23.363 1.00 0.00 C ATOM 311 O LYS A 45 30.156 7.582 24.011 1.00 0.00 O ATOM 312 CB LYS A 45 29.772 9.408 21.202 1.00 0.00 C ATOM 0 H LYS A 45 30.556 11.446 22.280 1.00 0.00 H new ATOM 0 HA LYS A 45 28.763 9.409 23.111 1.00 0.00 H new ATOM 315 N ILE A 46 31.970 8.626 23.164 1.00 0.00 N ATOM 316 CA ILE A 46 32.926 7.650 23.657 1.00 0.00 C ATOM 317 C ILE A 46 33.273 7.811 25.135 1.00 0.00 C ATOM 318 O ILE A 46 32.943 6.960 25.959 1.00 0.00 O ATOM 319 CB ILE A 46 34.194 7.731 22.812 1.00 0.00 C ATOM 0 H ILE A 46 32.392 9.405 22.659 1.00 0.00 H new ATOM 0 HA ILE A 46 32.455 6.671 23.569 1.00 0.00 H new ATOM 322 N LEU A 47 33.971 8.902 25.444 1.00 0.00 N ATOM 323 CA LEU A 47 34.450 9.157 26.790 1.00 0.00 C ATOM 324 C LEU A 47 33.339 9.351 27.819 1.00 0.00 C ATOM 325 O LEU A 47 33.445 8.854 28.938 1.00 0.00 O ATOM 326 CB LEU A 47 35.374 10.371 26.769 1.00 0.00 C ATOM 0 H LEU A 47 34.216 9.627 24.769 1.00 0.00 H new ATOM 0 HA LEU A 47 34.990 8.265 27.109 1.00 0.00 H new ATOM 329 N ALA A 48 32.281 10.076 27.453 1.00 0.00 N ATOM 330 CA ALA A 48 31.207 10.373 28.385 1.00 0.00 C ATOM 331 C ALA A 48 30.350 9.166 28.745 1.00 0.00 C ATOM 332 O ALA A 48 30.790 8.025 28.620 1.00 0.00 O ATOM 333 CB ALA A 48 30.334 11.491 27.830 1.00 0.00 C ATOM 0 H ALA A 48 32.150 10.465 26.519 1.00 0.00 H new ATOM 0 HA ALA A 48 31.685 10.690 29.312 1.00 0.00 H new ATOM 0 HB1 ALA A 48 29.531 11.709 28.534 1.00 0.00 H new ATOM 0 HB2 ALA A 48 30.939 12.386 27.682 1.00 0.00 H new ATOM 0 HB3 ALA A 48 29.907 11.180 26.877 1.00 0.00 H new ATOM 336 N THR A 49 29.130 9.472 29.205 1.00 0.00 N ATOM 337 CA THR A 49 28.147 8.492 29.636 1.00 0.00 C ATOM 338 C THR A 49 28.122 7.264 28.742 1.00 0.00 C ATOM 339 O THR A 49 27.099 6.953 28.136 1.00 0.00 O ATOM 340 CB THR A 49 26.770 9.149 29.675 1.00 0.00 C ATOM 0 H THR A 49 28.799 10.433 29.286 1.00 0.00 H new ATOM 0 HA THR A 49 28.428 8.149 30.632 1.00 0.00 H new ATOM 343 N ASP A 50 29.258 6.564 28.674 1.00 0.00 N ATOM 344 CA ASP A 50 29.401 5.355 27.895 1.00 0.00 C ATOM 345 C ASP A 50 30.516 4.521 28.517 1.00 0.00 C ATOM 346 O ASP A 50 30.435 3.295 28.540 1.00 0.00 O ATOM 347 CB ASP A 50 29.728 5.713 26.449 1.00 0.00 C ATOM 0 H ASP A 50 30.108 6.834 29.169 1.00 0.00 H new ATOM 0 HA ASP A 50 28.474 4.781 27.896 1.00 0.00 H new ATOM 350 N VAL A 51 31.554 5.189 29.035 1.00 0.00 N ATOM 351 CA VAL A 51 32.683 4.525 29.653 1.00 0.00 C ATOM 352 C VAL A 51 32.246 3.591 30.772 1.00 0.00 C ATOM 353 O VAL A 51 32.539 2.398 30.722 1.00 0.00 O ATOM 354 CB VAL A 51 33.653 5.576 30.185 1.00 0.00 C ATOM 0 H VAL A 51 31.624 6.207 29.032 1.00 0.00 H new ATOM 0 HA VAL A 51 33.178 3.913 28.899 1.00 0.00 H new ATOM 357 N ALA A 52 31.555 4.115 31.789 1.00 0.00 N ATOM 358 CA ALA A 52 31.117 3.308 32.910 1.00 0.00 C ATOM 359 C ALA A 52 30.169 2.218 32.432 1.00 0.00 C ATOM 360 O ALA A 52 29.050 2.106 32.930 1.00 0.00 O ATOM 361 CB ALA A 52 30.433 4.202 33.940 1.00 0.00 C ATOM 0 H ALA A 52 31.291 5.098 31.850 1.00 0.00 H new ATOM 0 HA ALA A 52 31.980 2.829 33.373 1.00 0.00 H new ATOM 0 HB1 ALA A 52 30.102 3.597 34.784 1.00 0.00 H new ATOM 0 HB2 ALA A 52 31.136 4.959 34.289 1.00 0.00 H new ATOM 0 HB3 ALA A 52 29.571 4.690 33.484 1.00 0.00 H new ATOM 364 N PRO A 53 30.616 1.415 31.465 1.00 0.00 N ATOM 365 CA PRO A 53 29.806 0.338 30.932 1.00 0.00 C ATOM 366 C PRO A 53 30.677 -0.647 30.163 1.00 0.00 C ATOM 367 O PRO A 53 30.166 -1.454 29.389 1.00 0.00 O ATOM 368 CB PRO A 53 28.720 0.916 30.030 1.00 0.00 C ATOM 0 HA PRO A 53 29.333 -0.199 31.754 1.00 0.00 H new ATOM 370 N LEU A 54 31.995 -0.580 30.370 1.00 0.00 N ATOM 371 CA LEU A 54 32.921 -1.464 29.699 1.00 0.00 C ATOM 372 C LEU A 54 32.759 -2.893 30.197 1.00 0.00 C ATOM 373 O LEU A 54 32.954 -3.834 29.431 1.00 0.00 O ATOM 374 CB LEU A 54 34.348 -0.969 29.915 1.00 0.00 C ATOM 0 H LEU A 54 32.436 0.086 31.004 1.00 0.00 H new ATOM 0 HA LEU A 54 32.706 -1.461 28.631 1.00 0.00 H new ATOM 377 N PHE A 55 32.397 -3.070 31.471 1.00 0.00 N ATOM 378 CA PHE A 55 32.217 -4.404 32.011 1.00 0.00 C ATOM 379 C PHE A 55 31.615 -4.396 33.409 1.00 0.00 C ATOM 380 O PHE A 55 32.278 -4.767 34.375 1.00 0.00 O ATOM 381 CB PHE A 55 33.544 -5.154 31.982 1.00 0.00 C ATOM 0 H PHE A 55 32.227 -2.313 32.133 1.00 0.00 H new ATOM 0 HA PHE A 55 31.498 -4.924 31.378 1.00 0.00 H new ATOM 384 N PRO A 56 30.345 -3.995 33.507 1.00 0.00 N ATOM 385 CA PRO A 56 29.620 -4.005 34.762 1.00 0.00 C ATOM 386 C PRO A 56 29.967 -2.844 35.686 1.00 0.00 C ATOM 387 O PRO A 56 29.976 -1.689 35.263 1.00 0.00 O ATOM 388 CB PRO A 56 28.123 -4.014 34.469 1.00 0.00 C ATOM 0 HA PRO A 56 29.920 -4.907 35.296 1.00 0.00 H new ATOM 390 N ALA A 57 30.240 -3.191 36.949 1.00 0.00 N ATOM 391 CA ALA A 57 30.527 -2.229 38.000 1.00 0.00 C ATOM 392 C ALA A 57 32.023 -2.043 38.224 1.00 0.00 C ATOM 393 O ALA A 57 32.413 -1.422 39.210 1.00 0.00 O ATOM 394 CB ALA A 57 29.868 -2.705 39.291 1.00 0.00 C ATOM 0 H ALA A 57 30.266 -4.160 37.266 1.00 0.00 H new ATOM 0 HA ALA A 57 30.127 -1.262 37.694 1.00 0.00 H new ATOM 0 HB1 ALA A 57 30.075 -1.992 40.089 1.00 0.00 H new ATOM 0 HB2 ALA A 57 28.791 -2.781 39.143 1.00 0.00 H new ATOM 0 HB3 ALA A 57 30.267 -3.682 39.564 1.00 0.00 H new ATOM 397 N GLY A 58 32.857 -2.583 37.329 1.00 0.00 N ATOM 398 CA GLY A 58 34.297 -2.455 37.474 1.00 0.00 C ATOM 399 C GLY A 58 35.044 -2.693 36.169 1.00 0.00 C ATOM 400 O GLY A 58 35.719 -1.791 35.677 1.00 0.00 O ATOM 0 H GLY A 58 32.556 -3.106 36.507 1.00 0.00 H new ATOM 0 HA2 GLY A 58 34.533 -1.458 37.846 1.00 0.00 H new ATOM 0 HA3 GLY A 58 34.647 -3.166 38.223 1.00 0.00 H new ATOM 404 N THR A 59 34.945 -3.906 35.620 1.00 0.00 N ATOM 405 CA THR A 59 35.647 -4.248 34.398 1.00 0.00 C ATOM 406 C THR A 59 37.139 -4.295 34.694 1.00 0.00 C ATOM 407 O THR A 59 37.917 -3.550 34.102 1.00 0.00 O ATOM 408 CB THR A 59 35.338 -3.218 33.315 1.00 0.00 C ATOM 0 H THR A 59 34.383 -4.663 36.009 1.00 0.00 H new ATOM 0 HA THR A 59 35.321 -5.223 34.035 1.00 0.00 H new ATOM 411 N SER A 60 37.527 -5.178 35.618 1.00 0.00 N ATOM 412 CA SER A 60 38.909 -5.338 36.033 1.00 0.00 C ATOM 413 C SER A 60 38.921 -6.230 37.267 1.00 0.00 C ATOM 414 O SER A 60 37.916 -6.307 37.971 1.00 0.00 O ATOM 415 CB SER A 60 39.519 -3.975 36.347 1.00 0.00 C ATOM 0 H SER A 60 36.880 -5.803 36.098 1.00 0.00 H new ATOM 0 HA SER A 60 39.501 -5.792 35.239 1.00 0.00 H new ATOM 418 N SER A 61 40.046 -6.904 37.531 1.00 0.00 N ATOM 419 CA SER A 61 40.146 -7.793 38.676 1.00 0.00 C ATOM 420 C SER A 61 41.457 -8.567 38.669 1.00 0.00 C ATOM 421 O SER A 61 42.147 -8.617 39.685 1.00 0.00 O ATOM 422 CB SER A 61 38.976 -8.774 38.664 1.00 0.00 C ATOM 0 H SER A 61 40.893 -6.846 36.965 1.00 0.00 H new ATOM 0 HA SER A 61 40.117 -7.184 39.580 1.00 0.00 H new ATOM 425 N THR A 62 41.785 -9.180 37.528 1.00 0.00 N ATOM 426 CA THR A 62 42.990 -9.978 37.387 1.00 0.00 C ATOM 427 C THR A 62 44.216 -9.213 37.868 1.00 0.00 C ATOM 428 O THR A 62 44.521 -8.140 37.354 1.00 0.00 O ATOM 429 CB THR A 62 43.155 -10.391 35.928 1.00 0.00 C ATOM 0 H THR A 62 41.218 -9.133 36.681 1.00 0.00 H new ATOM 0 HA THR A 62 42.895 -10.869 38.007 1.00 0.00 H new ATOM 432 N ASP A 63 44.917 -9.772 38.859 1.00 0.00 N ATOM 433 CA ASP A 63 46.106 -9.158 39.416 1.00 0.00 C ATOM 434 C ASP A 63 47.299 -9.414 38.509 1.00 0.00 C ATOM 435 O ASP A 63 47.898 -8.474 37.991 1.00 0.00 O ATOM 436 CB ASP A 63 46.360 -9.726 40.810 1.00 0.00 C ATOM 0 H ASP A 63 44.669 -10.662 39.291 1.00 0.00 H new ATOM 0 HA ASP A 63 45.960 -8.080 39.492 1.00 0.00 H new ATOM 439 N LEU A 64 47.649 -10.689 38.317 1.00 0.00 N ATOM 440 CA LEU A 64 48.770 -11.053 37.476 1.00 0.00 C ATOM 441 C LEU A 64 48.484 -10.627 36.044 1.00 0.00 C ATOM 442 O LEU A 64 47.327 -10.576 35.631 1.00 0.00 O ATOM 443 CB LEU A 64 49.006 -12.558 37.560 1.00 0.00 C ATOM 0 H LEU A 64 47.164 -11.481 38.738 1.00 0.00 H new ATOM 0 HA LEU A 64 49.672 -10.545 37.817 1.00 0.00 H new ATOM 446 N PRO A 65 49.541 -10.315 35.291 1.00 0.00 N ATOM 447 CA PRO A 65 49.404 -9.886 33.914 1.00 0.00 C ATOM 448 C PRO A 65 48.936 -11.041 33.044 1.00 0.00 C ATOM 449 O PRO A 65 47.750 -11.138 32.737 1.00 0.00 O ATOM 450 CB PRO A 65 48.410 -8.730 33.838 1.00 0.00 C ATOM 0 HA PRO A 65 50.374 -9.551 33.546 1.00 0.00 H new ATOM 452 N GLY A 66 49.872 -11.912 32.652 1.00 0.00 N ATOM 453 CA GLY A 66 49.565 -13.047 31.803 1.00 0.00 C ATOM 454 C GLY A 66 48.805 -12.578 30.571 1.00 0.00 C ATOM 455 O GLY A 66 49.364 -12.539 29.476 1.00 0.00 O ATOM 0 H GLY A 66 50.855 -11.843 32.917 1.00 0.00 H new ATOM 0 HA2 GLY A 66 50.485 -13.549 31.505 1.00 0.00 H new ATOM 0 HA3 GLY A 66 48.969 -13.775 32.354 1.00 0.00 H new ATOM 459 N GLN A 67 47.531 -12.222 30.775 1.00 0.00 N ATOM 460 CA GLN A 67 46.656 -11.739 29.721 1.00 0.00 C ATOM 461 C GLN A 67 46.652 -10.217 29.727 1.00 0.00 C ATOM 462 O GLN A 67 47.421 -9.599 30.461 1.00 0.00 O ATOM 463 CB GLN A 67 45.246 -12.271 29.965 1.00 0.00 C ATOM 0 H GLN A 67 47.082 -12.265 31.690 1.00 0.00 H new ATOM 0 HA GLN A 67 47.009 -12.087 28.750 1.00 0.00 H new ATOM 466 N THR A 68 45.769 -9.627 28.915 1.00 0.00 N ATOM 467 CA THR A 68 45.640 -8.184 28.810 1.00 0.00 C ATOM 468 C THR A 68 47.003 -7.537 28.604 1.00 0.00 C ATOM 469 O THR A 68 47.574 -6.981 29.540 1.00 0.00 O ATOM 470 CB THR A 68 44.975 -7.645 30.073 1.00 0.00 C ATOM 0 H THR A 68 45.126 -10.144 28.315 1.00 0.00 H new ATOM 0 HA THR A 68 45.021 -7.941 27.946 1.00 0.00 H new ATOM 473 N GLU A 69 47.524 -7.604 27.377 1.00 0.00 N ATOM 474 CA GLU A 69 48.819 -7.034 27.063 1.00 0.00 C ATOM 475 C GLU A 69 48.712 -5.520 26.959 1.00 0.00 C ATOM 476 O GLU A 69 48.778 -4.968 25.862 1.00 0.00 O ATOM 477 CB GLU A 69 49.329 -7.629 25.754 1.00 0.00 C ATOM 0 H GLU A 69 47.060 -8.051 26.587 1.00 0.00 H new ATOM 0 HA GLU A 69 49.525 -7.272 27.859 1.00 0.00 H new ATOM 480 N ALA A 70 48.555 -4.844 28.100 1.00 0.00 N ATOM 481 CA ALA A 70 48.444 -3.400 28.115 1.00 0.00 C ATOM 482 C ALA A 70 48.364 -2.876 29.542 1.00 0.00 C ATOM 483 O ALA A 70 47.295 -2.470 29.992 1.00 0.00 O ATOM 484 CB ALA A 70 47.209 -2.983 27.321 1.00 0.00 C ATOM 0 H ALA A 70 48.503 -5.281 29.020 1.00 0.00 H new ATOM 0 HA ALA A 70 49.333 -2.970 27.654 1.00 0.00 H new ATOM 0 HB1 ALA A 70 47.121 -1.897 27.329 1.00 0.00 H new ATOM 0 HB2 ALA A 70 47.303 -3.332 26.293 1.00 0.00 H new ATOM 0 HB3 ALA A 70 46.320 -3.423 27.773 1.00 0.00 H new ATOM 487 N LYS A 71 49.498 -2.878 30.250 1.00 0.00 N ATOM 488 CA LYS A 71 49.555 -2.378 31.611 1.00 0.00 C ATOM 489 C LYS A 71 48.832 -3.315 32.568 1.00 0.00 C ATOM 490 O LYS A 71 47.711 -3.025 32.982 1.00 0.00 O ATOM 491 CB LYS A 71 48.953 -0.976 31.668 1.00 0.00 C ATOM 0 H LYS A 71 50.389 -3.224 29.893 1.00 0.00 H new ATOM 0 HA LYS A 71 50.598 -2.330 31.923 1.00 0.00 H new ATOM 494 N ALA A 72 49.484 -4.431 32.911 1.00 0.00 N ATOM 495 CA ALA A 72 48.950 -5.435 33.816 1.00 0.00 C ATOM 496 C ALA A 72 48.244 -4.851 35.035 1.00 0.00 C ATOM 497 O ALA A 72 47.515 -5.577 35.707 1.00 0.00 O ATOM 498 CB ALA A 72 50.094 -6.339 34.265 1.00 0.00 C ATOM 0 H ALA A 72 50.413 -4.659 32.557 1.00 0.00 H new ATOM 0 HA ALA A 72 48.190 -5.994 33.269 1.00 0.00 H new ATOM 0 HB1 ALA A 72 49.711 -7.099 34.946 1.00 0.00 H new ATOM 0 HB2 ALA A 72 50.539 -6.822 33.395 1.00 0.00 H new ATOM 0 HB3 ALA A 72 50.850 -5.743 34.776 1.00 0.00 H new ATOM 501 N ALA A 73 48.474 -3.560 35.312 1.00 0.00 N ATOM 502 CA ALA A 73 47.892 -2.822 36.427 1.00 0.00 C ATOM 503 C ALA A 73 46.534 -3.309 36.925 1.00 0.00 C ATOM 504 O ALA A 73 46.157 -2.937 38.034 1.00 0.00 O ATOM 505 CB ALA A 73 47.797 -1.350 36.037 1.00 0.00 C ATOM 0 H ALA A 73 49.094 -2.986 34.741 1.00 0.00 H new ATOM 0 HA ALA A 73 48.563 -2.991 37.269 1.00 0.00 H new ATOM 0 HB1 ALA A 73 47.363 -0.783 36.860 1.00 0.00 H new ATOM 0 HB2 ALA A 73 48.793 -0.967 35.817 1.00 0.00 H new ATOM 0 HB3 ALA A 73 47.166 -1.248 35.154 1.00 0.00 H new ATOM 508 N ILE A 74 45.809 -4.085 36.101 1.00 0.00 N ATOM 509 CA ILE A 74 44.510 -4.663 36.449 1.00 0.00 C ATOM 510 C ILE A 74 44.442 -5.070 37.917 1.00 0.00 C ATOM 511 O ILE A 74 45.474 -5.381 38.510 1.00 0.00 O ATOM 512 CB ILE A 74 44.233 -5.862 35.547 1.00 0.00 C ATOM 0 H ILE A 74 46.119 -4.329 35.160 1.00 0.00 H new ATOM 0 HA ILE A 74 43.745 -3.902 36.294 1.00 0.00 H new ATOM 515 N TRP A 75 43.238 -5.076 38.505 1.00 0.00 N ATOM 516 CA TRP A 75 43.041 -5.344 39.920 1.00 0.00 C ATOM 517 C TRP A 75 43.344 -4.049 40.660 1.00 0.00 C ATOM 518 O TRP A 75 42.761 -3.015 40.343 1.00 0.00 O ATOM 519 CB TRP A 75 43.887 -6.516 40.412 1.00 0.00 C ATOM 0 H TRP A 75 42.371 -4.892 38.000 1.00 0.00 H new ATOM 0 HA TRP A 75 42.013 -5.653 40.111 1.00 0.00 H new ATOM 522 N ALA A 76 44.254 -4.083 41.635 1.00 0.00 N ATOM 523 CA ALA A 76 44.622 -2.890 42.368 1.00 0.00 C ATOM 524 C ALA A 76 43.400 -2.292 43.056 1.00 0.00 C ATOM 525 O ALA A 76 42.691 -3.013 43.756 1.00 0.00 O ATOM 526 CB ALA A 76 45.283 -1.902 41.410 1.00 0.00 C ATOM 0 H ALA A 76 44.745 -4.928 41.929 1.00 0.00 H new ATOM 0 HA ALA A 76 45.338 -3.137 43.152 1.00 0.00 H new ATOM 0 HB1 ALA A 76 45.564 -1.000 41.954 1.00 0.00 H new ATOM 0 HB2 ALA A 76 46.174 -2.356 40.976 1.00 0.00 H new ATOM 0 HB3 ALA A 76 44.584 -1.643 40.615 1.00 0.00 H new ATOM 529 N ASN A 77 43.165 -0.987 42.849 1.00 0.00 N ATOM 530 CA ASN A 77 42.058 -0.260 43.449 1.00 0.00 C ATOM 531 C ASN A 77 41.031 0.105 42.388 1.00 0.00 C ATOM 532 O ASN A 77 41.083 1.204 41.839 1.00 0.00 O ATOM 533 CB ASN A 77 42.601 1.006 44.105 1.00 0.00 C ATOM 0 H ASN A 77 43.753 -0.407 42.250 1.00 0.00 H new ATOM 0 HA ASN A 77 41.572 -0.886 44.197 1.00 0.00 H new ATOM 536 N MET A 78 40.111 -0.826 42.109 1.00 0.00 N ATOM 537 CA MET A 78 39.049 -0.624 41.137 1.00 0.00 C ATOM 538 C MET A 78 38.389 0.733 41.341 1.00 0.00 C ATOM 539 O MET A 78 37.864 1.321 40.398 1.00 0.00 O ATOM 540 CB MET A 78 38.022 -1.744 41.275 1.00 0.00 C ATOM 0 H MET A 78 40.089 -1.742 42.557 1.00 0.00 H new ATOM 0 HA MET A 78 39.472 -0.644 40.133 1.00 0.00 H new ATOM 543 N ASP A 79 38.436 1.235 42.577 1.00 0.00 N ATOM 544 CA ASP A 79 37.867 2.528 42.898 1.00 0.00 C ATOM 545 C ASP A 79 38.703 3.617 42.241 1.00 0.00 C ATOM 546 O ASP A 79 38.172 4.467 41.530 1.00 0.00 O ATOM 547 CB ASP A 79 37.832 2.708 44.413 1.00 0.00 C ATOM 0 H ASP A 79 38.866 0.757 43.369 1.00 0.00 H new ATOM 0 HA ASP A 79 36.846 2.594 42.521 1.00 0.00 H new ATOM 550 N ASP A 80 40.017 3.583 42.475 1.00 0.00 N ATOM 551 CA ASP A 80 40.922 4.557 41.897 1.00 0.00 C ATOM 552 C ASP A 80 40.777 4.527 40.384 1.00 0.00 C ATOM 553 O ASP A 80 40.681 5.573 39.744 1.00 0.00 O ATOM 554 CB ASP A 80 42.354 4.234 42.315 1.00 0.00 C ATOM 0 H ASP A 80 40.471 2.885 43.064 1.00 0.00 H new ATOM 0 HA ASP A 80 40.680 5.558 42.255 1.00 0.00 H new ATOM 557 N PHE A 81 40.755 3.318 39.818 1.00 0.00 N ATOM 558 CA PHE A 81 40.597 3.150 38.389 1.00 0.00 C ATOM 559 C PHE A 81 39.306 3.839 37.976 1.00 0.00 C ATOM 560 O PHE A 81 39.301 4.639 37.040 1.00 0.00 O ATOM 561 CB PHE A 81 40.560 1.663 38.047 1.00 0.00 C ATOM 0 H PHE A 81 40.846 2.445 40.337 1.00 0.00 H new ATOM 0 HA PHE A 81 41.434 3.594 37.850 1.00 0.00 H new ATOM 564 N GLY A 82 38.218 3.527 38.690 1.00 0.00 N ATOM 565 CA GLY A 82 36.924 4.128 38.441 1.00 0.00 C ATOM 566 C GLY A 82 37.071 5.640 38.394 1.00 0.00 C ATOM 567 O GLY A 82 36.456 6.294 37.555 1.00 0.00 O ATOM 0 H GLY A 82 38.221 2.850 39.453 1.00 0.00 H new ATOM 0 HA2 GLY A 82 36.516 3.762 37.499 1.00 0.00 H new ATOM 0 HA3 GLY A 82 36.222 3.844 39.225 1.00 0.00 H new ATOM 571 N ALA A 83 37.901 6.194 39.284 1.00 0.00 N ATOM 572 CA ALA A 83 38.156 7.618 39.316 1.00 0.00 C ATOM 573 C ALA A 83 38.615 8.077 37.941 1.00 0.00 C ATOM 574 O ALA A 83 37.896 8.839 37.302 1.00 0.00 O ATOM 575 CB ALA A 83 39.214 7.923 40.372 1.00 0.00 C ATOM 0 H ALA A 83 38.406 5.663 39.993 1.00 0.00 H new ATOM 0 HA ALA A 83 37.244 8.155 39.577 1.00 0.00 H new ATOM 0 HB1 ALA A 83 39.406 8.996 40.396 1.00 0.00 H new ATOM 0 HB2 ALA A 83 38.858 7.596 41.349 1.00 0.00 H new ATOM 0 HB3 ALA A 83 40.136 7.395 40.127 1.00 0.00 H new ATOM 578 N LYS A 84 39.803 7.615 37.517 1.00 0.00 N ATOM 579 CA LYS A 84 40.386 7.956 36.223 1.00 0.00 C ATOM 580 C LYS A 84 39.320 7.986 35.139 1.00 0.00 C ATOM 581 O LYS A 84 39.372 8.806 34.226 1.00 0.00 O ATOM 582 CB LYS A 84 41.474 6.943 35.879 1.00 0.00 C ATOM 0 H LYS A 84 40.385 6.989 38.073 1.00 0.00 H new ATOM 0 HA LYS A 84 40.825 8.952 36.282 1.00 0.00 H new ATOM 585 N GLY A 85 38.352 7.081 35.269 1.00 0.00 N ATOM 586 CA GLY A 85 37.231 7.043 34.354 1.00 0.00 C ATOM 587 C GLY A 85 36.579 8.417 34.417 1.00 0.00 C ATOM 588 O GLY A 85 36.663 9.189 33.464 1.00 0.00 O ATOM 0 H GLY A 85 38.328 6.369 35.999 1.00 0.00 H new ATOM 0 HA2 GLY A 85 37.564 6.817 33.341 1.00 0.00 H new ATOM 0 HA3 GLY A 85 36.524 6.264 34.638 1.00 0.00 H new ATOM 592 N LYS A 86 35.935 8.691 35.556 1.00 0.00 N ATOM 593 CA LYS A 86 35.300 9.973 35.807 1.00 0.00 C ATOM 594 C LYS A 86 36.195 11.143 35.389 1.00 0.00 C ATOM 595 O LYS A 86 35.760 12.009 34.634 1.00 0.00 O ATOM 596 CB LYS A 86 34.945 10.076 37.288 1.00 0.00 C ATOM 0 H LYS A 86 35.844 8.026 36.324 1.00 0.00 H new ATOM 0 HA LYS A 86 34.394 10.032 35.205 1.00 0.00 H new ATOM 599 N ALA A 87 37.440 11.166 35.879 1.00 0.00 N ATOM 600 CA ALA A 87 38.377 12.236 35.576 1.00 0.00 C ATOM 601 C ALA A 87 38.500 12.442 34.074 1.00 0.00 C ATOM 602 O ALA A 87 38.420 13.572 33.588 1.00 0.00 O ATOM 603 CB ALA A 87 39.736 11.904 36.186 1.00 0.00 C ATOM 0 H ALA A 87 37.818 10.444 36.493 1.00 0.00 H new ATOM 0 HA ALA A 87 38.005 13.166 36.007 1.00 0.00 H new ATOM 0 HB1 ALA A 87 40.441 12.704 35.961 1.00 0.00 H new ATOM 0 HB2 ALA A 87 39.635 11.803 37.267 1.00 0.00 H new ATOM 0 HB3 ALA A 87 40.104 10.968 35.767 1.00 0.00 H new ATOM 606 N MET A 88 38.698 11.337 33.353 1.00 0.00 N ATOM 607 CA MET A 88 38.822 11.360 31.912 1.00 0.00 C ATOM 608 C MET A 88 37.629 12.103 31.343 1.00 0.00 C ATOM 609 O MET A 88 37.796 13.016 30.536 1.00 0.00 O ATOM 610 CB MET A 88 38.880 9.930 31.381 1.00 0.00 C ATOM 0 H MET A 88 38.776 10.405 33.761 1.00 0.00 H new ATOM 0 HA MET A 88 39.739 11.868 31.612 1.00 0.00 H new ATOM 613 N HIS A 89 36.422 11.733 31.777 1.00 0.00 N ATOM 614 CA HIS A 89 35.208 12.382 31.335 1.00 0.00 C ATOM 615 C HIS A 89 35.211 13.863 31.691 1.00 0.00 C ATOM 616 O HIS A 89 34.657 14.666 30.947 1.00 0.00 O ATOM 617 CB HIS A 89 34.007 11.684 31.968 1.00 0.00 C ATOM 0 H HIS A 89 36.270 10.976 32.443 1.00 0.00 H new ATOM 0 HA HIS A 89 35.146 12.307 30.249 1.00 0.00 H new ATOM 620 N GLU A 90 35.804 14.250 32.824 1.00 0.00 N ATOM 621 CA GLU A 90 35.845 15.652 33.202 1.00 0.00 C ATOM 622 C GLU A 90 36.510 16.476 32.102 1.00 0.00 C ATOM 623 O GLU A 90 35.946 17.457 31.623 1.00 0.00 O ATOM 624 CB GLU A 90 36.601 15.800 34.519 1.00 0.00 C ATOM 0 H GLU A 90 36.255 13.616 33.483 1.00 0.00 H new ATOM 0 HA GLU A 90 34.828 16.022 33.334 1.00 0.00 H new ATOM 627 N ALA A 91 37.715 16.060 31.709 1.00 0.00 N ATOM 628 CA ALA A 91 38.455 16.764 30.667 1.00 0.00 C ATOM 629 C ALA A 91 37.843 16.495 29.289 1.00 0.00 C ATOM 630 O ALA A 91 37.839 17.357 28.414 1.00 0.00 O ATOM 631 CB ALA A 91 39.917 16.335 30.713 1.00 0.00 C ATOM 0 H ALA A 91 38.194 15.246 32.094 1.00 0.00 H new ATOM 0 HA ALA A 91 38.395 17.838 30.845 1.00 0.00 H new ATOM 0 HB1 ALA A 91 40.474 16.858 29.936 1.00 0.00 H new ATOM 0 HB2 ALA A 91 40.337 16.580 31.688 1.00 0.00 H new ATOM 0 HB3 ALA A 91 39.986 15.260 30.547 1.00 0.00 H new ATOM 634 N GLY A 92 37.336 15.276 29.128 1.00 0.00 N ATOM 635 CA GLY A 92 36.713 14.855 27.885 1.00 0.00 C ATOM 636 C GLY A 92 35.524 15.750 27.536 1.00 0.00 C ATOM 637 O GLY A 92 35.525 16.435 26.514 1.00 0.00 O ATOM 0 H GLY A 92 37.347 14.559 29.853 1.00 0.00 H new ATOM 0 HA2 GLY A 92 37.445 14.887 27.078 1.00 0.00 H new ATOM 0 HA3 GLY A 92 36.380 13.821 27.973 1.00 0.00 H new ATOM 641 N GLY A 93 34.510 15.736 28.403 1.00 0.00 N ATOM 642 CA GLY A 93 33.294 16.501 28.211 1.00 0.00 C ATOM 643 C GLY A 93 33.537 18.000 28.325 1.00 0.00 C ATOM 644 O GLY A 93 32.959 18.775 27.565 1.00 0.00 O ATOM 0 H GLY A 93 34.518 15.187 29.262 1.00 0.00 H new ATOM 0 HA2 GLY A 93 32.875 16.276 27.230 1.00 0.00 H new ATOM 0 HA3 GLY A 93 32.554 16.197 28.951 1.00 0.00 H new ATOM 648 N ALA A 94 34.389 18.423 29.263 1.00 0.00 N ATOM 649 CA ALA A 94 34.677 19.830 29.446 1.00 0.00 C ATOM 650 C ALA A 94 35.478 20.315 28.249 1.00 0.00 C ATOM 651 O ALA A 94 35.379 21.476 27.856 1.00 0.00 O ATOM 652 CB ALA A 94 35.459 20.026 30.741 1.00 0.00 C ATOM 0 H ALA A 94 34.887 17.804 29.903 1.00 0.00 H new ATOM 0 HA ALA A 94 33.754 20.405 29.517 1.00 0.00 H new ATOM 0 HB1 ALA A 94 35.676 21.085 30.878 1.00 0.00 H new ATOM 0 HB2 ALA A 94 34.867 19.665 31.582 1.00 0.00 H new ATOM 0 HB3 ALA A 94 36.394 19.468 30.689 1.00 0.00 H new ATOM 655 N VAL A 95 36.264 19.411 27.660 1.00 0.00 N ATOM 656 CA VAL A 95 37.069 19.730 26.501 1.00 0.00 C ATOM 657 C VAL A 95 36.130 20.047 25.353 1.00 0.00 C ATOM 658 O VAL A 95 36.337 21.018 24.629 1.00 0.00 O ATOM 659 CB VAL A 95 37.969 18.546 26.161 1.00 0.00 C ATOM 0 H VAL A 95 36.353 18.446 27.978 1.00 0.00 H new ATOM 0 HA VAL A 95 37.709 20.591 26.696 1.00 0.00 H new ATOM 662 N ILE A 96 35.083 19.233 25.194 1.00 0.00 N ATOM 663 CA ILE A 96 34.102 19.448 24.154 1.00 0.00 C ATOM 664 C ILE A 96 33.409 20.779 24.403 1.00 0.00 C ATOM 665 O ILE A 96 33.031 21.471 23.460 1.00 0.00 O ATOM 666 CB ILE A 96 33.091 18.305 24.174 1.00 0.00 C ATOM 0 H ILE A 96 34.902 18.418 25.781 1.00 0.00 H new ATOM 0 HA ILE A 96 34.582 19.473 23.176 1.00 0.00 H new ATOM 669 N ALA A 97 33.256 21.139 25.679 1.00 0.00 N ATOM 670 CA ALA A 97 32.625 22.390 26.048 1.00 0.00 C ATOM 671 C ALA A 97 33.415 23.535 25.434 1.00 0.00 C ATOM 672 O ALA A 97 32.838 24.456 24.860 1.00 0.00 O ATOM 673 CB ALA A 97 32.583 22.510 27.568 1.00 0.00 C ATOM 0 H ALA A 97 33.564 20.574 26.470 1.00 0.00 H new ATOM 0 HA ALA A 97 31.601 22.425 25.675 1.00 0.00 H new ATOM 0 HB1 ALA A 97 32.108 23.451 27.846 1.00 0.00 H new ATOM 0 HB2 ALA A 97 32.012 21.679 27.983 1.00 0.00 H new ATOM 0 HB3 ALA A 97 33.599 22.485 27.963 1.00 0.00 H new ATOM 676 N ALA A 98 34.744 23.468 25.549 1.00 0.00 N ATOM 677 CA ALA A 98 35.615 24.488 25.000 1.00 0.00 C ATOM 678 C ALA A 98 35.495 24.496 23.482 1.00 0.00 C ATOM 679 O ALA A 98 35.552 25.553 22.858 1.00 0.00 O ATOM 680 CB ALA A 98 37.053 24.205 25.425 1.00 0.00 C ATOM 0 H ALA A 98 35.234 22.709 26.022 1.00 0.00 H new ATOM 0 HA ALA A 98 35.324 25.469 25.377 1.00 0.00 H new ATOM 0 HB1 ALA A 98 37.711 24.970 25.014 1.00 0.00 H new ATOM 0 HB2 ALA A 98 37.120 24.215 26.513 1.00 0.00 H new ATOM 0 HB3 ALA A 98 37.357 23.227 25.052 1.00 0.00 H new ATOM 683 N ALA A 99 35.318 23.311 22.892 1.00 0.00 N ATOM 684 CA ALA A 99 35.183 23.187 21.455 1.00 0.00 C ATOM 685 C ALA A 99 34.000 24.025 20.991 1.00 0.00 C ATOM 686 O ALA A 99 34.138 24.864 20.104 1.00 0.00 O ATOM 687 CB ALA A 99 34.984 21.719 21.088 1.00 0.00 C ATOM 0 H ALA A 99 35.266 22.426 23.397 1.00 0.00 H new ATOM 0 HA ALA A 99 36.085 23.548 20.960 1.00 0.00 H new ATOM 0 HB1 ALA A 99 34.882 21.625 20.007 1.00 0.00 H new ATOM 0 HB2 ALA A 99 35.845 21.140 21.423 1.00 0.00 H new ATOM 0 HB3 ALA A 99 34.083 21.342 21.571 1.00 0.00 H new ATOM 690 N ASN A 100 32.836 23.796 21.602 1.00 0.00 N ATOM 691 CA ASN A 100 31.635 24.531 21.261 1.00 0.00 C ATOM 692 C ASN A 100 31.893 26.023 21.419 1.00 0.00 C ATOM 693 O ASN A 100 31.616 26.804 20.511 1.00 0.00 O ATOM 694 CB ASN A 100 30.490 24.082 22.164 1.00 0.00 C ATOM 0 H ASN A 100 32.708 23.102 22.338 1.00 0.00 H new ATOM 0 HA ASN A 100 31.359 24.332 20.225 1.00 0.00 H new ATOM 697 N ALA A 101 32.433 26.415 22.575 1.00 0.00 N ATOM 698 CA ALA A 101 32.733 27.806 22.853 1.00 0.00 C ATOM 699 C ALA A 101 33.701 28.360 21.814 1.00 0.00 C ATOM 700 O ALA A 101 33.854 29.574 21.698 1.00 0.00 O ATOM 701 CB ALA A 101 33.323 27.924 24.255 1.00 0.00 C ATOM 0 H ALA A 101 32.670 25.777 23.334 1.00 0.00 H new ATOM 0 HA ALA A 101 31.814 28.391 22.802 1.00 0.00 H new ATOM 0 HB1 ALA A 101 33.550 28.969 24.468 1.00 0.00 H new ATOM 0 HB2 ALA A 101 32.603 27.553 24.985 1.00 0.00 H new ATOM 0 HB3 ALA A 101 34.238 27.334 24.316 1.00 0.00 H new ATOM 704 N GLY A 102 34.351 27.473 21.056 1.00 0.00 N ATOM 705 CA GLY A 102 35.296 27.883 20.036 1.00 0.00 C ATOM 706 C GLY A 102 36.621 28.287 20.670 1.00 0.00 C ATOM 707 O GLY A 102 37.400 29.012 20.055 1.00 0.00 O ATOM 0 H GLY A 102 34.233 26.463 21.137 1.00 0.00 H new ATOM 0 HA2 GLY A 102 35.457 27.067 19.331 1.00 0.00 H new ATOM 0 HA3 GLY A 102 34.888 28.719 19.468 1.00 0.00 H new ATOM 711 N ASP A 103 36.865 27.814 21.897 1.00 0.00 N ATOM 712 CA ASP A 103 38.086 28.110 22.624 1.00 0.00 C ATOM 713 C ASP A 103 39.146 27.081 22.257 1.00 0.00 C ATOM 714 O ASP A 103 39.260 26.050 22.913 1.00 0.00 O ATOM 715 CB ASP A 103 37.798 28.064 24.122 1.00 0.00 C ATOM 0 H ASP A 103 36.215 27.215 22.407 1.00 0.00 H new ATOM 0 HA ASP A 103 38.450 29.104 22.362 1.00 0.00 H new ATOM 718 N GLY A 104 39.923 27.363 21.210 1.00 0.00 N ATOM 719 CA GLY A 104 40.960 26.456 20.756 1.00 0.00 C ATOM 720 C GLY A 104 41.978 26.183 21.856 1.00 0.00 C ATOM 721 O GLY A 104 42.556 25.097 21.909 1.00 0.00 O ATOM 0 H GLY A 104 39.847 28.220 20.662 1.00 0.00 H new ATOM 0 HA2 GLY A 104 40.509 25.517 20.434 1.00 0.00 H new ATOM 0 HA3 GLY A 104 41.464 26.882 19.889 1.00 0.00 H new ATOM 725 N ALA A 105 42.186 27.160 22.743 1.00 0.00 N ATOM 726 CA ALA A 105 43.136 27.035 23.832 1.00 0.00 C ATOM 727 C ALA A 105 42.481 26.239 24.951 1.00 0.00 C ATOM 728 O ALA A 105 43.154 25.541 25.706 1.00 0.00 O ATOM 729 CB ALA A 105 43.535 28.425 24.318 1.00 0.00 C ATOM 0 H ALA A 105 41.697 28.055 22.719 1.00 0.00 H new ATOM 0 HA ALA A 105 44.036 26.517 23.501 1.00 0.00 H new ATOM 0 HB1 ALA A 105 44.249 28.333 25.137 1.00 0.00 H new ATOM 0 HB2 ALA A 105 43.992 28.980 23.498 1.00 0.00 H new ATOM 0 HB3 ALA A 105 42.650 28.957 24.667 1.00 0.00 H new ATOM 732 N ALA A 106 41.153 26.348 25.040 1.00 0.00 N ATOM 733 CA ALA A 106 40.390 25.654 26.055 1.00 0.00 C ATOM 734 C ALA A 106 40.274 24.197 25.643 1.00 0.00 C ATOM 735 O ALA A 106 40.268 23.306 26.490 1.00 0.00 O ATOM 736 CB ALA A 106 39.013 26.298 26.186 1.00 0.00 C ATOM 0 H ALA A 106 40.589 26.918 24.410 1.00 0.00 H new ATOM 0 HA ALA A 106 40.884 25.717 27.025 1.00 0.00 H new ATOM 0 HB1 ALA A 106 38.438 25.775 26.950 1.00 0.00 H new ATOM 0 HB2 ALA A 106 39.126 27.344 26.469 1.00 0.00 H new ATOM 0 HB3 ALA A 106 38.490 26.235 25.232 1.00 0.00 H new ATOM 739 N PHE A 107 40.198 23.957 24.332 1.00 0.00 N ATOM 740 CA PHE A 107 40.098 22.618 23.798 1.00 0.00 C ATOM 741 C PHE A 107 41.387 21.871 24.091 1.00 0.00 C ATOM 742 O PHE A 107 41.372 20.876 24.809 1.00 0.00 O ATOM 743 CB PHE A 107 39.837 22.685 22.295 1.00 0.00 C ATOM 0 H PHE A 107 40.205 24.689 23.622 1.00 0.00 H new ATOM 0 HA PHE A 107 39.269 22.087 24.266 1.00 0.00 H new ATOM 746 N GLY A 108 42.506 22.335 23.532 1.00 0.00 N ATOM 747 CA GLY A 108 43.788 21.693 23.750 1.00 0.00 C ATOM 748 C GLY A 108 44.163 21.628 25.228 1.00 0.00 C ATOM 749 O GLY A 108 44.812 20.676 25.658 1.00 0.00 O ATOM 0 H GLY A 108 42.543 23.154 22.926 1.00 0.00 H new ATOM 0 HA2 GLY A 108 43.760 20.683 23.341 1.00 0.00 H new ATOM 0 HA3 GLY A 108 44.560 22.236 23.206 1.00 0.00 H new ATOM 753 N ALA A 109 43.742 22.620 26.016 1.00 0.00 N ATOM 754 CA ALA A 109 44.085 22.670 27.426 1.00 0.00 C ATOM 755 C ALA A 109 43.264 21.663 28.220 1.00 0.00 C ATOM 756 O ALA A 109 43.816 20.817 28.923 1.00 0.00 O ATOM 757 CB ALA A 109 43.855 24.084 27.951 1.00 0.00 C ATOM 0 H ALA A 109 43.163 23.396 25.695 1.00 0.00 H new ATOM 0 HA ALA A 109 45.136 22.408 27.546 1.00 0.00 H new ATOM 0 HB1 ALA A 109 44.112 24.125 29.010 1.00 0.00 H new ATOM 0 HB2 ALA A 109 44.482 24.784 27.398 1.00 0.00 H new ATOM 0 HB3 ALA A 109 42.807 24.354 27.821 1.00 0.00 H new ATOM 760 N ALA A 110 41.939 21.754 28.101 1.00 0.00 N ATOM 761 CA ALA A 110 41.053 20.856 28.813 1.00 0.00 C ATOM 762 C ALA A 110 41.316 19.434 28.340 1.00 0.00 C ATOM 763 O ALA A 110 41.416 18.511 29.146 1.00 0.00 O ATOM 764 CB ALA A 110 39.605 21.261 28.559 1.00 0.00 C ATOM 0 H ALA A 110 41.464 22.442 27.517 1.00 0.00 H new ATOM 0 HA ALA A 110 41.236 20.910 29.886 1.00 0.00 H new ATOM 0 HB1 ALA A 110 38.939 20.585 29.095 1.00 0.00 H new ATOM 0 HB2 ALA A 110 39.446 22.281 28.909 1.00 0.00 H new ATOM 0 HB3 ALA A 110 39.394 21.207 27.491 1.00 0.00 H new ATOM 767 N LEU A 111 41.443 19.268 27.022 1.00 0.00 N ATOM 768 CA LEU A 111 41.698 17.979 26.419 1.00 0.00 C ATOM 769 C LEU A 111 43.078 17.472 26.805 1.00 0.00 C ATOM 770 O LEU A 111 43.299 16.263 26.824 1.00 0.00 O ATOM 771 CB LEU A 111 41.570 18.089 24.903 1.00 0.00 C ATOM 0 H LEU A 111 41.370 20.032 26.350 1.00 0.00 H new ATOM 0 HA LEU A 111 40.962 17.263 26.786 1.00 0.00 H new ATOM 774 N GLN A 112 44.015 18.373 27.121 1.00 0.00 N ATOM 775 CA GLN A 112 45.347 17.976 27.522 1.00 0.00 C ATOM 776 C GLN A 112 45.250 17.369 28.910 1.00 0.00 C ATOM 777 O GLN A 112 45.973 16.429 29.228 1.00 0.00 O ATOM 778 CB GLN A 112 46.269 19.192 27.527 1.00 0.00 C ATOM 0 H GLN A 112 43.864 19.382 27.103 1.00 0.00 H new ATOM 0 HA GLN A 112 45.761 17.246 26.826 1.00 0.00 H new ATOM 781 N LYS A 113 44.343 17.901 29.735 1.00 0.00 N ATOM 782 CA LYS A 113 44.132 17.379 31.068 1.00 0.00 C ATOM 783 C LYS A 113 43.629 15.952 30.920 1.00 0.00 C ATOM 784 O LYS A 113 44.090 15.046 31.614 1.00 0.00 O ATOM 785 CB LYS A 113 43.110 18.245 31.799 1.00 0.00 C ATOM 0 H LYS A 113 43.748 18.693 29.493 1.00 0.00 H new ATOM 0 HA LYS A 113 45.054 17.390 31.650 1.00 0.00 H new ATOM 788 N LEU A 114 42.691 15.759 29.989 1.00 0.00 N ATOM 789 CA LEU A 114 42.141 14.448 29.713 1.00 0.00 C ATOM 790 C LEU A 114 43.275 13.566 29.218 1.00 0.00 C ATOM 791 O LEU A 114 43.319 12.373 29.510 1.00 0.00 O ATOM 792 CB LEU A 114 41.059 14.564 28.642 1.00 0.00 C ATOM 0 H LEU A 114 42.300 16.506 29.415 1.00 0.00 H new ATOM 0 HA LEU A 114 41.694 14.019 30.609 1.00 0.00 H new ATOM 795 N GLY A 115 44.201 14.173 28.472 1.00 0.00 N ATOM 796 CA GLY A 115 45.336 13.460 27.928 1.00 0.00 C ATOM 797 C GLY A 115 46.229 12.965 29.054 1.00 0.00 C ATOM 798 O GLY A 115 46.616 11.798 29.074 1.00 0.00 O ATOM 0 H GLY A 115 44.177 15.165 28.235 1.00 0.00 H new ATOM 0 HA2 GLY A 115 44.993 12.617 27.328 1.00 0.00 H new ATOM 0 HA3 GLY A 115 45.902 14.114 27.265 1.00 0.00 H new ATOM 802 N GLY A 116 46.554 13.852 29.998 1.00 0.00 N ATOM 803 CA GLY A 116 47.406 13.513 31.118 1.00 0.00 C ATOM 804 C GLY A 116 46.871 12.302 31.865 1.00 0.00 C ATOM 805 O GLY A 116 47.533 11.268 31.904 1.00 0.00 O ATOM 0 H GLY A 116 46.230 14.819 29.999 1.00 0.00 H new ATOM 0 HA2 GLY A 116 48.416 13.308 30.762 1.00 0.00 H new ATOM 0 HA3 GLY A 116 47.474 14.363 31.797 1.00 0.00 H new ATOM 809 N THR A 117 45.685 12.437 32.468 1.00 0.00 N ATOM 810 CA THR A 117 45.070 11.363 33.229 1.00 0.00 C ATOM 811 C THR A 117 45.073 10.046 32.460 1.00 0.00 C ATOM 812 O THR A 117 45.548 9.033 32.968 1.00 0.00 O ATOM 813 CB THR A 117 43.644 11.762 33.595 1.00 0.00 C ATOM 0 H THR A 117 45.132 13.294 32.438 1.00 0.00 H new ATOM 0 HA THR A 117 45.656 11.205 34.135 1.00 0.00 H new ATOM 816 N CYS A 118 44.549 10.062 31.233 1.00 0.00 N ATOM 817 CA CYS A 118 44.482 8.868 30.415 1.00 0.00 C ATOM 818 C CYS A 118 45.876 8.340 30.099 1.00 0.00 C ATOM 819 O CYS A 118 46.240 7.249 30.535 1.00 0.00 O ATOM 820 CB CYS A 118 43.723 9.180 29.128 1.00 0.00 C ATOM 0 H CYS A 118 44.165 10.897 30.790 1.00 0.00 H new ATOM 0 HA CYS A 118 43.954 8.091 30.968 1.00 0.00 H new ATOM 823 N LYS A 119 46.650 9.111 29.331 1.00 0.00 N ATOM 824 CA LYS A 119 47.987 8.717 28.929 1.00 0.00 C ATOM 825 C LYS A 119 48.843 8.312 30.122 1.00 0.00 C ATOM 826 O LYS A 119 49.268 7.162 30.204 1.00 0.00 O ATOM 827 CB LYS A 119 48.641 9.868 28.169 1.00 0.00 C ATOM 0 H LYS A 119 46.361 10.022 28.975 1.00 0.00 H new ATOM 0 HA LYS A 119 47.908 7.843 28.282 1.00 0.00 H new ATOM 830 N ALA A 120 49.109 9.265 31.020 1.00 0.00 N ATOM 831 CA ALA A 120 49.932 9.039 32.197 1.00 0.00 C ATOM 832 C ALA A 120 49.578 7.747 32.924 1.00 0.00 C ATOM 833 O ALA A 120 50.456 6.920 33.158 1.00 0.00 O ATOM 834 CB ALA A 120 49.809 10.231 33.142 1.00 0.00 C ATOM 0 H ALA A 120 48.754 10.218 30.944 1.00 0.00 H new ATOM 0 HA ALA A 120 50.964 8.935 31.861 1.00 0.00 H new ATOM 0 HB1 ALA A 120 50.426 10.061 34.024 1.00 0.00 H new ATOM 0 HB2 ALA A 120 50.144 11.135 32.633 1.00 0.00 H new ATOM 0 HB3 ALA A 120 48.769 10.350 33.444 1.00 0.00 H new ATOM 837 N CYS A 121 48.303 7.579 33.288 1.00 0.00 N ATOM 838 CA CYS A 121 47.845 6.396 33.994 1.00 0.00 C ATOM 839 C CYS A 121 48.296 5.120 33.296 1.00 0.00 C ATOM 840 O CYS A 121 49.000 4.304 33.888 1.00 0.00 O ATOM 841 CB CYS A 121 46.323 6.435 34.106 1.00 0.00 C ATOM 0 H CYS A 121 47.568 8.261 33.099 1.00 0.00 H new ATOM 0 HA CYS A 121 48.286 6.393 34.991 1.00 0.00 H new ATOM 844 N HIS A 122 47.892 4.944 32.036 1.00 0.00 N ATOM 845 CA HIS A 122 48.254 3.764 31.276 1.00 0.00 C ATOM 846 C HIS A 122 49.769 3.623 31.215 1.00 0.00 C ATOM 847 O HIS A 122 50.307 2.549 31.477 1.00 0.00 O ATOM 848 CB HIS A 122 47.668 3.868 29.871 1.00 0.00 C ATOM 0 H HIS A 122 47.312 5.611 31.526 1.00 0.00 H new ATOM 0 HA HIS A 122 47.849 2.878 31.766 1.00 0.00 H new ATOM 851 N ASP A 123 50.454 4.715 30.871 1.00 0.00 N ATOM 852 CA ASP A 123 51.899 4.721 30.763 1.00 0.00 C ATOM 853 C ASP A 123 52.537 4.330 32.089 1.00 0.00 C ATOM 854 O ASP A 123 53.637 3.783 32.109 1.00 0.00 O ATOM 855 CB ASP A 123 52.365 6.109 30.333 1.00 0.00 C ATOM 0 H ASP A 123 50.017 5.613 30.662 1.00 0.00 H new ATOM 0 HA ASP A 123 52.206 3.990 30.015 1.00 0.00 H new ATOM 858 N ASP A 124 51.847 4.602 33.198 1.00 0.00 N ATOM 859 CA ASP A 124 52.360 4.280 34.514 1.00 0.00 C ATOM 860 C ASP A 124 52.377 2.771 34.712 1.00 0.00 C ATOM 861 O ASP A 124 53.410 2.200 35.054 1.00 0.00 O ATOM 862 CB ASP A 124 51.494 4.954 35.575 1.00 0.00 C ATOM 0 H ASP A 124 50.929 5.046 33.202 1.00 0.00 H new ATOM 0 HA ASP A 124 53.382 4.648 34.607 1.00 0.00 H new ATOM 865 N TYR A 125 51.228 2.127 34.493 1.00 0.00 N ATOM 866 CA TYR A 125 51.112 0.691 34.652 1.00 0.00 C ATOM 867 C TYR A 125 52.152 -0.018 33.796 1.00 0.00 C ATOM 868 O TYR A 125 53.032 -0.697 34.322 1.00 0.00 O ATOM 869 CB TYR A 125 49.703 0.250 34.266 1.00 0.00 C ATOM 0 H TYR A 125 50.365 2.588 34.204 1.00 0.00 H new ATOM 0 HA TYR A 125 51.292 0.425 35.694 1.00 0.00 H new ATOM 872 N ARG A 126 52.050 0.137 32.474 1.00 0.00 N ATOM 873 CA ARG A 126 52.978 -0.493 31.556 1.00 0.00 C ATOM 874 C ARG A 126 54.311 0.241 31.578 1.00 0.00 C ATOM 875 O ARG A 126 55.275 -0.236 32.175 1.00 0.00 O ATOM 876 CB ARG A 126 52.383 -0.493 30.151 1.00 0.00 C ATOM 0 H ARG A 126 51.328 0.698 32.022 1.00 0.00 H new ATOM 0 HA ARG A 126 53.152 -1.524 31.863 1.00 0.00 H new ATOM 879 N GLU A 127 54.368 1.400 30.919 1.00 0.00 N ATOM 880 CA GLU A 127 55.581 2.192 30.864 1.00 0.00 C ATOM 881 C GLU A 127 56.674 1.422 30.137 1.00 0.00 C ATOM 882 O GLU A 127 56.465 0.284 29.724 1.00 0.00 O ATOM 883 CB GLU A 127 56.020 2.547 32.282 1.00 0.00 C ATOM 0 H GLU A 127 53.579 1.806 30.416 1.00 0.00 H new ATOM 0 HA GLU A 127 55.391 3.114 30.314 1.00 0.00 H new ATOM 886 N GLU A 128 57.843 2.048 29.983 1.00 0.00 N ATOM 887 CA GLU A 128 58.965 1.424 29.308 1.00 0.00 C ATOM 888 C GLU A 128 59.619 0.405 30.230 1.00 0.00 C ATOM 889 O GLU A 128 59.647 -0.784 29.924 1.00 0.00 O ATOM 890 CB GLU A 128 59.966 2.497 28.892 1.00 0.00 C ATOM 0 H GLU A 128 58.030 2.992 30.322 1.00 0.00 H new ATOM 0 HA GLU A 128 58.616 0.905 28.415 1.00 0.00 H new ATOM 893 N ASP A 129 60.147 0.876 31.363 1.00 0.00 N ATOM 894 CA ASP A 129 60.799 0.007 32.322 1.00 0.00 C ATOM 895 C ASP A 129 59.755 -0.811 33.068 1.00 0.00 C ATOM 896 O ASP A 129 59.995 -1.081 34.265 1.00 0.00 O ATOM 897 CB ASP A 129 61.622 0.850 33.293 1.00 0.00 C ATOM 0 H ASP A 129 60.131 1.860 31.631 1.00 0.00 H new ATOM 0 HA ASP A 129 61.467 -0.680 31.802 1.00 0.00 H new TER 900 ASP A 129 HETATM 901 FE HEM A 130 43.555 4.131 28.541 1.00 0.00 FE