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 40.633 -19.335 21.662 1.00 0.00 N ATOM 2 CA ALA A 1 39.880 -20.103 22.634 1.00 0.00 C ATOM 3 C ALA A 1 39.453 -19.189 23.773 1.00 0.00 C ATOM 4 O ALA A 1 38.262 -19.036 24.036 1.00 0.00 O ATOM 5 CB ALA A 1 38.666 -20.726 21.952 1.00 0.00 C ATOM 0 H1 ALA A 1 40.927 -19.956 20.881 1.00 0.00 H new ATOM 0 H2 ALA A 1 40.038 -18.568 21.289 1.00 0.00 H new ATOM 0 H3 ALA A 1 41.475 -18.929 22.117 1.00 0.00 H new ATOM 0 HA ALA A 1 40.497 -20.903 23.043 1.00 0.00 H new ATOM 0 HB1 ALA A 1 38.097 -21.305 22.680 1.00 0.00 H new ATOM 0 HB2 ALA A 1 38.035 -19.938 21.542 1.00 0.00 H new ATOM 0 HB3 ALA A 1 38.998 -21.381 21.147 1.00 0.00 H new ATOM 7 N ASP A 2 40.429 -18.580 24.450 1.00 0.00 N ATOM 8 CA ASP A 2 40.152 -17.686 25.556 1.00 0.00 C ATOM 9 C ASP A 2 39.281 -16.532 25.080 1.00 0.00 C ATOM 10 O ASP A 2 38.171 -16.347 25.574 1.00 0.00 O ATOM 11 CB ASP A 2 41.466 -17.169 26.134 1.00 0.00 C ATOM 0 H ASP A 2 41.421 -18.696 24.243 1.00 0.00 H new ATOM 0 HA ASP A 2 39.614 -18.224 26.337 1.00 0.00 H new ATOM 14 N THR A 3 39.792 -15.755 24.121 1.00 0.00 N ATOM 15 CA THR A 3 39.068 -14.622 23.578 1.00 0.00 C ATOM 16 C THR A 3 39.000 -13.512 24.616 1.00 0.00 C ATOM 17 O THR A 3 39.595 -13.624 25.686 1.00 0.00 O ATOM 18 CB THR A 3 37.670 -15.059 23.149 1.00 0.00 C ATOM 0 H THR A 3 40.713 -15.899 23.707 1.00 0.00 H new ATOM 0 HA THR A 3 39.590 -14.240 22.701 1.00 0.00 H new ATOM 21 N LYS A 4 38.273 -12.439 24.300 1.00 0.00 N ATOM 22 CA LYS A 4 38.139 -11.315 25.204 1.00 0.00 C ATOM 23 C LYS A 4 37.157 -10.302 24.633 1.00 0.00 C ATOM 24 O LYS A 4 37.566 -9.310 24.033 1.00 0.00 O ATOM 25 CB LYS A 4 39.507 -10.675 25.422 1.00 0.00 C ATOM 0 H LYS A 4 37.769 -12.333 23.419 1.00 0.00 H new ATOM 0 HA LYS A 4 37.754 -11.661 26.163 1.00 0.00 H new ATOM 28 N GLU A 5 35.860 -10.550 24.824 1.00 0.00 N ATOM 29 CA GLU A 5 34.828 -9.658 24.334 1.00 0.00 C ATOM 30 C GLU A 5 34.841 -8.363 25.134 1.00 0.00 C ATOM 31 O GLU A 5 34.879 -7.277 24.560 1.00 0.00 O ATOM 32 CB GLU A 5 33.471 -10.346 24.445 1.00 0.00 C ATOM 0 H GLU A 5 35.506 -11.369 25.319 1.00 0.00 H new ATOM 0 HA GLU A 5 35.017 -9.417 23.288 1.00 0.00 H new ATOM 35 N VAL A 6 34.812 -8.481 26.464 1.00 0.00 N ATOM 36 CA VAL A 6 34.814 -7.326 27.340 1.00 0.00 C ATOM 37 C VAL A 6 36.079 -6.504 27.136 1.00 0.00 C ATOM 38 O VAL A 6 36.022 -5.277 27.114 1.00 0.00 O ATOM 39 CB VAL A 6 34.700 -7.790 28.789 1.00 0.00 C ATOM 0 H VAL A 6 34.787 -9.376 26.953 1.00 0.00 H new ATOM 0 HA VAL A 6 33.960 -6.692 27.101 1.00 0.00 H new ATOM 42 N LEU A 7 37.221 -7.177 26.978 1.00 0.00 N ATOM 43 CA LEU A 7 38.482 -6.493 26.774 1.00 0.00 C ATOM 44 C LEU A 7 38.493 -5.871 25.386 1.00 0.00 C ATOM 45 O LEU A 7 38.800 -4.693 25.239 1.00 0.00 O ATOM 46 CB LEU A 7 39.632 -7.483 26.936 1.00 0.00 C ATOM 0 H LEU A 7 37.289 -8.195 26.989 1.00 0.00 H new ATOM 0 HA LEU A 7 38.604 -5.702 27.514 1.00 0.00 H new ATOM 49 N GLU A 8 38.160 -6.676 24.375 1.00 0.00 N ATOM 50 CA GLU A 8 38.113 -6.218 22.998 1.00 0.00 C ATOM 51 C GLU A 8 37.246 -4.972 22.874 1.00 0.00 C ATOM 52 O GLU A 8 37.647 -3.991 22.248 1.00 0.00 O ATOM 53 CB GLU A 8 37.580 -7.339 22.110 1.00 0.00 C ATOM 0 H GLU A 8 37.917 -7.659 24.494 1.00 0.00 H new ATOM 0 HA GLU A 8 39.120 -5.955 22.674 1.00 0.00 H new ATOM 56 N ALA A 9 36.052 -5.001 23.469 1.00 0.00 N ATOM 57 CA ALA A 9 35.161 -3.863 23.433 1.00 0.00 C ATOM 58 C ALA A 9 35.875 -2.731 24.142 1.00 0.00 C ATOM 59 O ALA A 9 35.815 -1.582 23.712 1.00 0.00 O ATOM 60 CB ALA A 9 33.847 -4.211 24.126 1.00 0.00 C ATOM 0 H ALA A 9 35.689 -5.806 23.980 1.00 0.00 H new ATOM 0 HA ALA A 9 34.917 -3.574 22.411 1.00 0.00 H new ATOM 0 HB1 ALA A 9 33.180 -3.349 24.095 1.00 0.00 H new ATOM 0 HB2 ALA A 9 33.378 -5.051 23.615 1.00 0.00 H new ATOM 0 HB3 ALA A 9 34.043 -4.481 25.164 1.00 0.00 H new ATOM 63 N ARG A 10 36.574 -3.070 25.228 1.00 0.00 N ATOM 64 CA ARG A 10 37.342 -2.099 25.973 1.00 0.00 C ATOM 65 C ARG A 10 38.388 -1.506 25.042 1.00 0.00 C ATOM 66 O ARG A 10 38.788 -0.356 25.211 1.00 0.00 O ATOM 67 CB ARG A 10 37.999 -2.779 27.170 1.00 0.00 C ATOM 0 H ARG A 10 36.617 -4.017 25.604 1.00 0.00 H new ATOM 0 HA ARG A 10 36.700 -1.302 26.348 1.00 0.00 H new ATOM 70 N GLU A 11 38.822 -2.283 24.042 1.00 0.00 N ATOM 71 CA GLU A 11 39.802 -1.799 23.094 1.00 0.00 C ATOM 72 C GLU A 11 39.129 -0.697 22.296 1.00 0.00 C ATOM 73 O GLU A 11 39.732 0.332 21.998 1.00 0.00 O ATOM 74 CB GLU A 11 40.248 -2.941 22.186 1.00 0.00 C ATOM 0 H GLU A 11 38.507 -3.239 23.879 1.00 0.00 H new ATOM 0 HA GLU A 11 40.691 -1.416 23.594 1.00 0.00 H new ATOM 77 N ALA A 12 37.855 -0.923 21.974 1.00 0.00 N ATOM 78 CA ALA A 12 37.061 0.035 21.228 1.00 0.00 C ATOM 79 C ALA A 12 36.927 1.305 22.055 1.00 0.00 C ATOM 80 O ALA A 12 37.095 2.408 21.541 1.00 0.00 O ATOM 81 CB ALA A 12 35.688 -0.565 20.939 1.00 0.00 C ATOM 0 H ALA A 12 37.352 -1.774 22.225 1.00 0.00 H new ATOM 0 HA ALA A 12 37.542 0.274 20.280 1.00 0.00 H new ATOM 0 HB1 ALA A 12 35.088 0.152 20.378 1.00 0.00 H new ATOM 0 HB2 ALA A 12 35.805 -1.477 20.353 1.00 0.00 H new ATOM 0 HB3 ALA A 12 35.188 -0.800 21.879 1.00 0.00 H new ATOM 84 N TYR A 13 36.627 1.139 23.346 1.00 0.00 N ATOM 85 CA TYR A 13 36.485 2.261 24.251 1.00 0.00 C ATOM 86 C TYR A 13 37.795 3.033 24.289 1.00 0.00 C ATOM 87 O TYR A 13 37.803 4.242 24.516 1.00 0.00 O ATOM 88 CB TYR A 13 36.118 1.748 25.641 1.00 0.00 C ATOM 0 H TYR A 13 36.479 0.228 23.781 1.00 0.00 H new ATOM 0 HA TYR A 13 35.692 2.926 23.908 1.00 0.00 H new ATOM 91 N PHE A 14 38.903 2.331 24.042 1.00 0.00 N ATOM 92 CA PHE A 14 40.215 2.944 24.036 1.00 0.00 C ATOM 93 C PHE A 14 40.360 3.755 22.758 1.00 0.00 C ATOM 94 O PHE A 14 41.043 4.775 22.740 1.00 0.00 O ATOM 95 CB PHE A 14 41.285 1.859 24.116 1.00 0.00 C ATOM 0 H PHE A 14 38.907 1.331 23.843 1.00 0.00 H new ATOM 0 HA PHE A 14 40.335 3.603 24.896 1.00 0.00 H new ATOM 98 N LYS A 15 39.704 3.297 21.688 1.00 0.00 N ATOM 99 CA LYS A 15 39.737 3.984 20.414 1.00 0.00 C ATOM 100 C LYS A 15 38.955 5.286 20.528 1.00 0.00 C ATOM 101 O LYS A 15 39.338 6.296 19.945 1.00 0.00 O ATOM 102 CB LYS A 15 39.137 3.085 19.337 1.00 0.00 C ATOM 0 H LYS A 15 39.142 2.446 21.690 1.00 0.00 H new ATOM 0 HA LYS A 15 40.766 4.215 20.138 1.00 0.00 H new ATOM 105 N SER A 16 37.859 5.258 21.289 1.00 0.00 N ATOM 106 CA SER A 16 37.038 6.437 21.487 1.00 0.00 C ATOM 107 C SER A 16 37.857 7.505 22.197 1.00 0.00 C ATOM 108 O SER A 16 38.134 8.562 21.629 1.00 0.00 O ATOM 109 CB SER A 16 35.802 6.068 22.302 1.00 0.00 C ATOM 0 H SER A 16 37.525 4.426 21.776 1.00 0.00 H new ATOM 0 HA SER A 16 36.710 6.830 20.525 1.00 0.00 H new ATOM 112 N LEU A 17 38.248 7.224 23.444 1.00 0.00 N ATOM 113 CA LEU A 17 39.046 8.152 24.220 1.00 0.00 C ATOM 114 C LEU A 17 40.310 8.467 23.435 1.00 0.00 C ATOM 115 O LEU A 17 40.805 9.593 23.461 1.00 0.00 O ATOM 116 CB LEU A 17 39.384 7.528 25.571 1.00 0.00 C ATOM 0 H LEU A 17 38.019 6.357 23.930 1.00 0.00 H new ATOM 0 HA LEU A 17 38.496 9.075 24.402 1.00 0.00 H new ATOM 119 N GLY A 18 40.814 7.463 22.715 1.00 0.00 N ATOM 120 CA GLY A 18 42.002 7.620 21.906 1.00 0.00 C ATOM 121 C GLY A 18 41.774 8.752 20.920 1.00 0.00 C ATOM 122 O GLY A 18 42.337 9.831 21.091 1.00 0.00 O ATOM 0 H GLY A 18 40.406 6.529 22.683 1.00 0.00 H new ATOM 0 HA2 GLY A 18 42.863 7.837 22.538 1.00 0.00 H new ATOM 0 HA3 GLY A 18 42.222 6.694 21.374 1.00 0.00 H new ATOM 126 N GLY A 19 40.956 8.500 19.891 1.00 0.00 N ATOM 127 CA GLY A 19 40.622 9.461 18.857 1.00 0.00 C ATOM 128 C GLY A 19 40.406 10.879 19.361 1.00 0.00 C ATOM 129 O GLY A 19 40.869 11.821 18.722 1.00 0.00 O ATOM 0 H GLY A 19 40.501 7.596 19.760 1.00 0.00 H new ATOM 0 HA2 GLY A 19 41.421 9.470 18.115 1.00 0.00 H new ATOM 0 HA3 GLY A 19 39.718 9.128 18.348 1.00 0.00 H new ATOM 133 N SER A 20 39.721 11.066 20.493 1.00 0.00 N ATOM 134 CA SER A 20 39.510 12.398 21.022 1.00 0.00 C ATOM 135 C SER A 20 40.873 13.026 21.303 1.00 0.00 C ATOM 136 O SER A 20 41.170 14.095 20.778 1.00 0.00 O ATOM 137 CB SER A 20 38.687 12.308 22.303 1.00 0.00 C ATOM 0 H SER A 20 39.311 10.315 21.049 1.00 0.00 H new ATOM 0 HA SER A 20 38.968 13.015 20.306 1.00 0.00 H new ATOM 140 N MET A 21 41.711 12.363 22.113 1.00 0.00 N ATOM 141 CA MET A 21 43.030 12.844 22.469 1.00 0.00 C ATOM 142 C MET A 21 43.851 13.281 21.261 1.00 0.00 C ATOM 143 O MET A 21 44.464 14.342 21.289 1.00 0.00 O ATOM 144 CB MET A 21 43.766 11.738 23.219 1.00 0.00 C ATOM 0 H MET A 21 41.477 11.466 22.539 1.00 0.00 H new ATOM 0 HA MET A 21 42.904 13.727 23.095 1.00 0.00 H new ATOM 147 N LYS A 22 43.893 12.444 20.223 1.00 0.00 N ATOM 148 CA LYS A 22 44.664 12.719 19.022 1.00 0.00 C ATOM 149 C LYS A 22 44.111 13.901 18.231 1.00 0.00 C ATOM 150 O LYS A 22 44.827 14.867 17.978 1.00 0.00 O ATOM 151 CB LYS A 22 44.693 11.467 18.150 1.00 0.00 C ATOM 0 H LYS A 22 43.391 11.557 20.197 1.00 0.00 H new ATOM 0 HA LYS A 22 45.675 12.991 19.327 1.00 0.00 H new ATOM 154 N ALA A 23 42.840 13.819 17.832 1.00 0.00 N ATOM 155 CA ALA A 23 42.213 14.882 17.062 1.00 0.00 C ATOM 156 C ALA A 23 42.246 16.180 17.864 1.00 0.00 C ATOM 157 O ALA A 23 42.313 17.272 17.302 1.00 0.00 O ATOM 158 CB ALA A 23 40.777 14.487 16.730 1.00 0.00 C ATOM 0 H ALA A 23 42.230 13.026 18.032 1.00 0.00 H new ATOM 0 HA ALA A 23 42.757 15.037 16.130 1.00 0.00 H new ATOM 0 HB1 ALA A 23 40.305 15.282 16.153 1.00 0.00 H new ATOM 0 HB2 ALA A 23 40.779 13.567 16.146 1.00 0.00 H new ATOM 0 HB3 ALA A 23 40.220 14.330 17.654 1.00 0.00 H new ATOM 161 N MET A 24 42.226 16.028 19.188 1.00 0.00 N ATOM 162 CA MET A 24 42.255 17.155 20.097 1.00 0.00 C ATOM 163 C MET A 24 43.691 17.639 20.228 1.00 0.00 C ATOM 164 O MET A 24 43.937 18.816 20.485 1.00 0.00 O ATOM 165 CB MET A 24 41.699 16.736 21.453 1.00 0.00 C ATOM 0 H MET A 24 42.189 15.120 19.651 1.00 0.00 H new ATOM 0 HA MET A 24 41.637 17.967 19.713 1.00 0.00 H new ATOM 168 N THR A 25 44.638 16.717 20.041 1.00 0.00 N ATOM 169 CA THR A 25 46.049 17.017 20.146 1.00 0.00 C ATOM 170 C THR A 25 46.512 17.780 18.918 1.00 0.00 C ATOM 171 O THR A 25 46.973 18.913 19.037 1.00 0.00 O ATOM 172 CB THR A 25 46.833 15.717 20.303 1.00 0.00 C ATOM 0 H THR A 25 44.438 15.743 19.813 1.00 0.00 H new ATOM 0 HA THR A 25 46.225 17.643 21.021 1.00 0.00 H new ATOM 175 N GLY A 26 46.398 17.172 17.733 1.00 0.00 N ATOM 176 CA GLY A 26 46.811 17.806 16.500 1.00 0.00 C ATOM 177 C GLY A 26 46.003 19.069 16.259 1.00 0.00 C ATOM 178 O GLY A 26 46.547 20.066 15.792 1.00 0.00 O ATOM 0 H GLY A 26 46.018 16.233 17.613 1.00 0.00 H new ATOM 0 HA2 GLY A 26 47.873 18.049 16.546 1.00 0.00 H new ATOM 0 HA3 GLY A 26 46.678 17.116 15.666 1.00 0.00 H new ATOM 182 N VAL A 27 44.705 19.040 16.570 1.00 0.00 N ATOM 183 CA VAL A 27 43.862 20.203 16.393 1.00 0.00 C ATOM 184 C VAL A 27 44.334 21.296 17.340 1.00 0.00 C ATOM 185 O VAL A 27 44.311 22.475 16.996 1.00 0.00 O ATOM 186 CB VAL A 27 42.412 19.825 16.682 1.00 0.00 C ATOM 0 H VAL A 27 44.225 18.222 16.944 1.00 0.00 H new ATOM 0 HA VAL A 27 43.925 20.568 15.368 1.00 0.00 H new ATOM 189 N ALA A 28 44.773 20.893 18.535 1.00 0.00 N ATOM 190 CA ALA A 28 45.242 21.824 19.542 1.00 0.00 C ATOM 191 C ALA A 28 46.591 22.425 19.164 1.00 0.00 C ATOM 192 O ALA A 28 46.809 23.616 19.372 1.00 0.00 O ATOM 193 CB ALA A 28 45.337 21.104 20.884 1.00 0.00 C ATOM 0 H ALA A 28 44.810 19.915 18.823 1.00 0.00 H new ATOM 0 HA ALA A 28 44.530 22.646 19.614 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.689 21.799 21.646 1.00 0.00 H new ATOM 0 HB2 ALA A 28 44.354 20.726 21.165 1.00 0.00 H new ATOM 0 HB3 ALA A 28 46.036 20.271 20.802 1.00 0.00 H new ATOM 196 N LYS A 29 47.495 21.611 18.609 1.00 0.00 N ATOM 197 CA LYS A 29 48.820 22.068 18.230 1.00 0.00 C ATOM 198 C LYS A 29 48.763 22.798 16.896 1.00 0.00 C ATOM 199 O LYS A 29 49.596 23.659 16.623 1.00 0.00 O ATOM 200 CB LYS A 29 49.757 20.867 18.141 1.00 0.00 C ATOM 0 H LYS A 29 47.323 20.625 18.414 1.00 0.00 H new ATOM 0 HA LYS A 29 49.195 22.762 18.982 1.00 0.00 H new ATOM 203 N ALA A 30 47.770 22.452 16.074 1.00 0.00 N ATOM 204 CA ALA A 30 47.592 23.062 14.772 1.00 0.00 C ATOM 205 C ALA A 30 46.901 24.403 14.970 1.00 0.00 C ATOM 206 O ALA A 30 47.456 25.276 15.635 1.00 0.00 O ATOM 207 CB ALA A 30 46.779 22.127 13.881 1.00 0.00 C ATOM 0 H ALA A 30 47.073 21.742 16.299 1.00 0.00 H new ATOM 0 HA ALA A 30 48.549 23.231 14.279 1.00 0.00 H new ATOM 0 HB1 ALA A 30 46.644 22.584 12.901 1.00 0.00 H new ATOM 0 HB2 ALA A 30 47.307 21.180 13.770 1.00 0.00 H new ATOM 0 HB3 ALA A 30 45.804 21.948 14.335 1.00 0.00 H new ATOM 210 N PHE A 31 45.695 24.560 14.412 1.00 0.00 N ATOM 211 CA PHE A 31 44.917 25.778 14.542 1.00 0.00 C ATOM 212 C PHE A 31 43.992 25.638 15.742 1.00 0.00 C ATOM 213 O PHE A 31 44.267 24.852 16.647 1.00 0.00 O ATOM 214 CB PHE A 31 44.102 25.984 13.268 1.00 0.00 C ATOM 0 H PHE A 31 45.237 23.837 13.857 1.00 0.00 H new ATOM 0 HA PHE A 31 45.571 26.638 14.688 1.00 0.00 H new ATOM 217 N ASP A 32 42.895 26.399 15.734 1.00 0.00 N ATOM 218 CA ASP A 32 41.922 26.360 16.810 1.00 0.00 C ATOM 219 C ASP A 32 40.563 26.817 16.306 1.00 0.00 C ATOM 220 O ASP A 32 40.152 27.946 16.567 1.00 0.00 O ATOM 221 CB ASP A 32 42.399 27.249 17.955 1.00 0.00 C ATOM 0 H ASP A 32 42.664 27.052 14.985 1.00 0.00 H new ATOM 0 HA ASP A 32 41.822 25.337 17.173 1.00 0.00 H new ATOM 224 N ALA A 33 39.856 25.937 15.593 1.00 0.00 N ATOM 225 CA ALA A 33 38.544 26.254 15.069 1.00 0.00 C ATOM 226 C ALA A 33 37.844 24.979 14.618 1.00 0.00 C ATOM 227 O ALA A 33 37.167 24.325 15.410 1.00 0.00 O ATOM 228 CB ALA A 33 38.681 27.238 13.911 1.00 0.00 C ATOM 0 H ALA A 33 40.181 24.996 15.369 1.00 0.00 H new ATOM 0 HA ALA A 33 37.940 26.717 15.849 1.00 0.00 H new ATOM 0 HB1 ALA A 33 37.693 27.476 13.517 1.00 0.00 H new ATOM 0 HB2 ALA A 33 39.161 28.151 14.264 1.00 0.00 H new ATOM 0 HB3 ALA A 33 39.287 26.791 13.123 1.00 0.00 H new ATOM 231 N GLU A 34 38.002 24.628 13.339 1.00 0.00 N ATOM 232 CA GLU A 34 37.373 23.453 12.771 1.00 0.00 C ATOM 233 C GLU A 34 37.818 22.172 13.465 1.00 0.00 C ATOM 234 O GLU A 34 36.979 21.392 13.911 1.00 0.00 O ATOM 235 CB GLU A 34 37.692 23.387 11.280 1.00 0.00 C ATOM 0 H GLU A 34 38.570 25.156 12.676 1.00 0.00 H new ATOM 0 HA GLU A 34 36.296 23.537 12.920 1.00 0.00 H new ATOM 238 N ALA A 35 39.130 21.941 13.556 1.00 0.00 N ATOM 239 CA ALA A 35 39.661 20.739 14.168 1.00 0.00 C ATOM 240 C ALA A 35 39.131 20.574 15.584 1.00 0.00 C ATOM 241 O ALA A 35 38.670 19.493 15.943 1.00 0.00 O ATOM 242 CB ALA A 35 41.185 20.806 14.167 1.00 0.00 C ATOM 0 H ALA A 35 39.843 22.582 13.208 1.00 0.00 H new ATOM 0 HA ALA A 35 39.339 19.872 13.592 1.00 0.00 H new ATOM 0 HB1 ALA A 35 41.589 19.904 14.626 1.00 0.00 H new ATOM 0 HB2 ALA A 35 41.545 20.883 13.141 1.00 0.00 H new ATOM 0 HB3 ALA A 35 41.511 21.679 14.733 1.00 0.00 H new ATOM 245 N ALA A 36 39.211 21.643 16.383 1.00 0.00 N ATOM 246 CA ALA A 36 38.742 21.625 17.756 1.00 0.00 C ATOM 247 C ALA A 36 37.322 21.083 17.815 1.00 0.00 C ATOM 248 O ALA A 36 37.038 20.180 18.600 1.00 0.00 O ATOM 249 CB ALA A 36 38.804 23.038 18.330 1.00 0.00 C ATOM 0 H ALA A 36 39.603 22.538 16.089 1.00 0.00 H new ATOM 0 HA ALA A 36 39.381 20.973 18.352 1.00 0.00 H new ATOM 0 HB1 ALA A 36 38.452 23.027 19.362 1.00 0.00 H new ATOM 0 HB2 ALA A 36 39.833 23.398 18.301 1.00 0.00 H new ATOM 0 HB3 ALA A 36 38.172 23.699 17.738 1.00 0.00 H new ATOM 252 N LYS A 37 36.438 21.634 16.980 1.00 0.00 N ATOM 253 CA LYS A 37 35.056 21.199 16.918 1.00 0.00 C ATOM 254 C LYS A 37 34.976 19.687 16.741 1.00 0.00 C ATOM 255 O LYS A 37 34.254 19.016 17.475 1.00 0.00 O ATOM 256 CB LYS A 37 34.353 21.913 15.767 1.00 0.00 C ATOM 0 H LYS A 37 36.666 22.390 16.334 1.00 0.00 H new ATOM 0 HA LYS A 37 34.558 21.452 17.854 1.00 0.00 H new ATOM 259 N VAL A 38 35.721 19.147 15.772 1.00 0.00 N ATOM 260 CA VAL A 38 35.723 17.721 15.503 1.00 0.00 C ATOM 261 C VAL A 38 36.248 16.938 16.701 1.00 0.00 C ATOM 262 O VAL A 38 35.759 15.846 16.999 1.00 0.00 O ATOM 263 CB VAL A 38 36.577 17.445 14.269 1.00 0.00 C ATOM 0 H VAL A 38 36.333 19.688 15.161 1.00 0.00 H new ATOM 0 HA VAL A 38 34.700 17.394 15.319 1.00 0.00 H new ATOM 266 N GLU A 39 37.233 17.494 17.411 1.00 0.00 N ATOM 267 CA GLU A 39 37.800 16.829 18.562 1.00 0.00 C ATOM 268 C GLU A 39 36.698 16.727 19.598 1.00 0.00 C ATOM 269 O GLU A 39 36.544 15.692 20.237 1.00 0.00 O ATOM 270 CB GLU A 39 38.979 17.638 19.093 1.00 0.00 C ATOM 0 H GLU A 39 37.647 18.402 17.201 1.00 0.00 H new ATOM 0 HA GLU A 39 38.172 15.836 18.309 1.00 0.00 H new ATOM 273 N ALA A 40 35.945 17.819 19.750 1.00 0.00 N ATOM 274 CA ALA A 40 34.824 17.863 20.667 1.00 0.00 C ATOM 275 C ALA A 40 33.904 16.681 20.390 1.00 0.00 C ATOM 276 O ALA A 40 33.462 16.007 21.316 1.00 0.00 O ATOM 277 CB ALA A 40 34.078 19.183 20.495 1.00 0.00 C ATOM 0 H ALA A 40 36.101 18.688 19.240 1.00 0.00 H new ATOM 0 HA ALA A 40 35.178 17.798 21.696 1.00 0.00 H new ATOM 0 HB1 ALA A 40 33.235 19.217 21.185 1.00 0.00 H new ATOM 0 HB2 ALA A 40 34.753 20.013 20.706 1.00 0.00 H new ATOM 0 HB3 ALA A 40 33.713 19.264 19.471 1.00 0.00 H new ATOM 280 N ALA A 41 33.619 16.428 19.110 1.00 0.00 N ATOM 281 CA ALA A 41 32.771 15.320 18.715 1.00 0.00 C ATOM 282 C ALA A 41 33.306 14.017 19.296 1.00 0.00 C ATOM 283 O ALA A 41 32.584 13.293 19.984 1.00 0.00 O ATOM 284 CB ALA A 41 32.710 15.246 17.192 1.00 0.00 C ATOM 0 H ALA A 41 33.970 16.985 18.331 1.00 0.00 H new ATOM 0 HA ALA A 41 31.764 15.477 19.102 1.00 0.00 H new ATOM 0 HB1 ALA A 41 32.073 14.414 16.893 1.00 0.00 H new ATOM 0 HB2 ALA A 41 32.300 16.176 16.799 1.00 0.00 H new ATOM 0 HB3 ALA A 41 33.714 15.095 16.795 1.00 0.00 H new ATOM 287 N LYS A 42 34.581 13.711 19.038 1.00 0.00 N ATOM 288 CA LYS A 42 35.174 12.492 19.551 1.00 0.00 C ATOM 289 C LYS A 42 35.133 12.543 21.072 1.00 0.00 C ATOM 290 O LYS A 42 34.983 11.514 21.728 1.00 0.00 O ATOM 291 CB LYS A 42 36.607 12.366 19.041 1.00 0.00 C ATOM 0 H LYS A 42 35.210 14.290 18.482 1.00 0.00 H new ATOM 0 HA LYS A 42 34.619 11.619 19.208 1.00 0.00 H new ATOM 294 N LEU A 43 35.261 13.757 21.613 1.00 0.00 N ATOM 295 CA LEU A 43 35.210 13.978 23.044 1.00 0.00 C ATOM 296 C LEU A 43 33.905 13.384 23.538 1.00 0.00 C ATOM 297 O LEU A 43 33.925 12.481 24.372 1.00 0.00 O ATOM 298 CB LEU A 43 35.297 15.470 23.349 1.00 0.00 C ATOM 0 H LEU A 43 35.402 14.606 21.066 1.00 0.00 H new ATOM 0 HA LEU A 43 36.051 13.503 23.550 1.00 0.00 H new ATOM 301 N GLU A 44 32.791 13.913 23.015 1.00 0.00 N ATOM 302 CA GLU A 44 31.459 13.426 23.314 1.00 0.00 C ATOM 303 C GLU A 44 31.450 11.905 23.336 1.00 0.00 C ATOM 304 O GLU A 44 30.882 11.313 24.247 1.00 0.00 O ATOM 305 CB GLU A 44 30.480 13.957 22.271 1.00 0.00 C ATOM 0 H GLU A 44 32.801 14.700 22.366 1.00 0.00 H new ATOM 0 HA GLU A 44 31.154 13.781 24.298 1.00 0.00 H new ATOM 308 N LYS A 45 32.098 11.268 22.357 1.00 0.00 N ATOM 309 CA LYS A 45 32.182 9.817 22.322 1.00 0.00 C ATOM 310 C LYS A 45 32.764 9.291 23.634 1.00 0.00 C ATOM 311 O LYS A 45 32.236 8.342 24.210 1.00 0.00 O ATOM 312 CB LYS A 45 33.046 9.389 21.139 1.00 0.00 C ATOM 0 H LYS A 45 32.569 11.738 21.584 1.00 0.00 H new ATOM 0 HA LYS A 45 31.183 9.397 22.202 1.00 0.00 H new ATOM 315 N ILE A 46 33.851 9.917 24.097 1.00 0.00 N ATOM 316 CA ILE A 46 34.484 9.524 25.349 1.00 0.00 C ATOM 317 C ILE A 46 33.428 9.600 26.445 1.00 0.00 C ATOM 318 O ILE A 46 33.388 8.764 27.344 1.00 0.00 O ATOM 319 CB ILE A 46 35.666 10.442 25.647 1.00 0.00 C ATOM 0 H ILE A 46 34.306 10.696 23.621 1.00 0.00 H new ATOM 0 HA ILE A 46 34.873 8.508 25.288 1.00 0.00 H new ATOM 322 N LEU A 47 32.565 10.612 26.326 1.00 0.00 N ATOM 323 CA LEU A 47 31.417 10.761 27.205 1.00 0.00 C ATOM 324 C LEU A 47 30.412 9.790 26.602 1.00 0.00 C ATOM 325 O LEU A 47 29.400 10.202 26.039 1.00 0.00 O ATOM 326 CB LEU A 47 30.907 12.198 27.163 1.00 0.00 C ATOM 0 H LEU A 47 32.647 11.344 25.620 1.00 0.00 H new ATOM 0 HA LEU A 47 31.626 10.555 28.255 1.00 0.00 H new ATOM 329 N ALA A 48 30.738 8.496 26.676 1.00 0.00 N ATOM 330 CA ALA A 48 29.971 7.460 26.023 1.00 0.00 C ATOM 331 C ALA A 48 28.811 7.095 26.936 1.00 0.00 C ATOM 332 O ALA A 48 28.172 7.959 27.534 1.00 0.00 O ATOM 333 CB ALA A 48 30.893 6.278 25.730 1.00 0.00 C ATOM 0 H ALA A 48 31.545 8.149 27.194 1.00 0.00 H new ATOM 0 HA ALA A 48 29.559 7.789 25.069 1.00 0.00 H new ATOM 0 HB1 ALA A 48 30.326 5.488 25.237 1.00 0.00 H new ATOM 0 HB2 ALA A 48 31.705 6.603 25.079 1.00 0.00 H new ATOM 0 HB3 ALA A 48 31.306 5.899 26.665 1.00 0.00 H new ATOM 336 N THR A 49 28.584 5.783 27.052 1.00 0.00 N ATOM 337 CA THR A 49 27.665 5.221 28.012 1.00 0.00 C ATOM 338 C THR A 49 28.491 5.177 29.295 1.00 0.00 C ATOM 339 O THR A 49 29.394 5.993 29.469 1.00 0.00 O ATOM 340 CB THR A 49 27.242 3.822 27.571 1.00 0.00 C ATOM 0 H THR A 49 29.045 5.084 26.469 1.00 0.00 H new ATOM 0 HA THR A 49 26.743 5.790 28.128 1.00 0.00 H new ATOM 343 N ASP A 50 28.224 4.195 30.159 1.00 0.00 N ATOM 344 CA ASP A 50 29.008 3.996 31.368 1.00 0.00 C ATOM 345 C ASP A 50 30.244 3.163 31.028 1.00 0.00 C ATOM 346 O ASP A 50 30.112 1.981 30.717 1.00 0.00 O ATOM 347 CB ASP A 50 28.152 3.277 32.407 1.00 0.00 C ATOM 0 H ASP A 50 27.465 3.524 30.038 1.00 0.00 H new ATOM 0 HA ASP A 50 29.326 4.956 31.775 1.00 0.00 H new ATOM 350 N VAL A 51 31.441 3.764 31.080 1.00 0.00 N ATOM 351 CA VAL A 51 32.671 3.057 30.770 1.00 0.00 C ATOM 352 C VAL A 51 32.786 1.814 31.640 1.00 0.00 C ATOM 353 O VAL A 51 33.289 0.785 31.192 1.00 0.00 O ATOM 354 CB VAL A 51 33.860 3.987 30.996 1.00 0.00 C ATOM 0 H VAL A 51 31.573 4.742 31.336 1.00 0.00 H new ATOM 0 HA VAL A 51 32.663 2.745 29.726 1.00 0.00 H new ATOM 357 N ALA A 52 32.309 1.926 32.882 1.00 0.00 N ATOM 358 CA ALA A 52 32.322 0.823 33.825 1.00 0.00 C ATOM 359 C ALA A 52 31.703 -0.416 33.187 1.00 0.00 C ATOM 360 O ALA A 52 32.100 -1.538 33.493 1.00 0.00 O ATOM 361 CB ALA A 52 31.552 1.223 35.080 1.00 0.00 C ATOM 0 H ALA A 52 31.905 2.785 33.255 1.00 0.00 H new ATOM 0 HA ALA A 52 33.350 0.588 34.100 1.00 0.00 H new ATOM 0 HB1 ALA A 52 31.560 0.396 35.791 1.00 0.00 H new ATOM 0 HB2 ALA A 52 32.023 2.096 35.533 1.00 0.00 H new ATOM 0 HB3 ALA A 52 30.523 1.463 34.814 1.00 0.00 H new ATOM 364 N PRO A 53 30.738 -0.207 32.287 1.00 0.00 N ATOM 365 CA PRO A 53 30.073 -1.296 31.600 1.00 0.00 C ATOM 366 C PRO A 53 31.053 -2.071 30.723 1.00 0.00 C ATOM 367 O PRO A 53 30.652 -3.001 30.026 1.00 0.00 O ATOM 368 CB PRO A 53 29.426 -2.221 32.627 1.00 0.00 C ATOM 0 HA PRO A 53 29.303 -0.884 30.948 1.00 0.00 H new ATOM 370 N LEU A 54 32.335 -1.695 30.751 1.00 0.00 N ATOM 371 CA LEU A 54 33.345 -2.378 29.969 1.00 0.00 C ATOM 372 C LEU A 54 33.632 -3.734 30.599 1.00 0.00 C ATOM 373 O LEU A 54 34.034 -4.662 29.899 1.00 0.00 O ATOM 374 CB LEU A 54 34.609 -1.524 29.910 1.00 0.00 C ATOM 0 H LEU A 54 32.689 -0.919 31.311 1.00 0.00 H new ATOM 0 HA LEU A 54 32.990 -2.534 28.950 1.00 0.00 H new ATOM 377 N PHE A 55 33.412 -3.829 31.917 1.00 0.00 N ATOM 378 CA PHE A 55 33.613 -5.049 32.686 1.00 0.00 C ATOM 379 C PHE A 55 32.398 -5.293 33.574 1.00 0.00 C ATOM 380 O PHE A 55 31.487 -4.468 33.613 1.00 0.00 O ATOM 381 CB PHE A 55 34.877 -4.903 33.526 1.00 0.00 C ATOM 0 H PHE A 55 33.085 -3.045 32.481 1.00 0.00 H new ATOM 0 HA PHE A 55 33.730 -5.903 32.018 1.00 0.00 H new ATOM 384 N PRO A 56 32.382 -6.433 34.275 1.00 0.00 N ATOM 385 CA PRO A 56 31.286 -6.788 35.162 1.00 0.00 C ATOM 386 C PRO A 56 31.046 -5.650 36.142 1.00 0.00 C ATOM 387 O PRO A 56 29.905 -5.305 36.441 1.00 0.00 O ATOM 388 CB PRO A 56 30.033 -7.076 34.340 1.00 0.00 C ATOM 0 HA PRO A 56 31.538 -7.686 35.726 1.00 0.00 H new ATOM 390 N ALA A 57 32.141 -5.064 36.625 1.00 0.00 N ATOM 391 CA ALA A 57 32.117 -3.940 37.541 1.00 0.00 C ATOM 392 C ALA A 57 33.523 -3.340 37.558 1.00 0.00 C ATOM 393 O ALA A 57 33.940 -2.758 38.557 1.00 0.00 O ATOM 394 CB ALA A 57 31.701 -4.412 38.931 1.00 0.00 C ATOM 0 H ALA A 57 33.084 -5.368 36.382 1.00 0.00 H new ATOM 0 HA ALA A 57 31.395 -3.187 37.225 1.00 0.00 H new ATOM 0 HB1 ALA A 57 31.685 -3.563 39.614 1.00 0.00 H new ATOM 0 HB2 ALA A 57 30.707 -4.857 38.882 1.00 0.00 H new ATOM 0 HB3 ALA A 57 32.413 -5.154 39.292 1.00 0.00 H new ATOM 397 N GLY A 58 34.236 -3.523 36.438 1.00 0.00 N ATOM 398 CA GLY A 58 35.605 -3.073 36.264 1.00 0.00 C ATOM 399 C GLY A 58 36.529 -4.276 36.418 1.00 0.00 C ATOM 400 O GLY A 58 37.694 -4.125 36.779 1.00 0.00 O ATOM 0 H GLY A 58 33.861 -3.998 35.617 1.00 0.00 H new ATOM 0 HA2 GLY A 58 35.733 -2.619 35.281 1.00 0.00 H new ATOM 0 HA3 GLY A 58 35.850 -2.309 37.002 1.00 0.00 H new ATOM 404 N THR A 59 35.996 -5.473 36.149 1.00 0.00 N ATOM 405 CA THR A 59 36.754 -6.706 36.250 1.00 0.00 C ATOM 406 C THR A 59 37.385 -6.819 37.629 1.00 0.00 C ATOM 407 O THR A 59 37.081 -7.743 38.380 1.00 0.00 O ATOM 408 CB THR A 59 37.825 -6.732 35.163 1.00 0.00 C ATOM 0 H THR A 59 35.028 -5.605 35.856 1.00 0.00 H new ATOM 0 HA THR A 59 36.087 -7.557 36.110 1.00 0.00 H new ATOM 411 N SER A 60 38.272 -5.873 37.945 1.00 0.00 N ATOM 412 CA SER A 60 38.963 -5.839 39.221 1.00 0.00 C ATOM 413 C SER A 60 40.022 -6.931 39.256 1.00 0.00 C ATOM 414 O SER A 60 39.855 -7.941 39.937 1.00 0.00 O ATOM 415 CB SER A 60 37.963 -6.002 40.363 1.00 0.00 C ATOM 0 H SER A 60 38.527 -5.111 37.317 1.00 0.00 H new ATOM 0 HA SER A 60 39.457 -4.875 39.344 1.00 0.00 H new ATOM 418 N SER A 61 41.118 -6.722 38.522 1.00 0.00 N ATOM 419 CA SER A 61 42.197 -7.689 38.466 1.00 0.00 C ATOM 420 C SER A 61 42.981 -7.675 39.771 1.00 0.00 C ATOM 421 O SER A 61 42.636 -6.946 40.698 1.00 0.00 O ATOM 422 CB SER A 61 43.108 -7.365 37.285 1.00 0.00 C ATOM 0 H SER A 61 41.274 -5.886 37.959 1.00 0.00 H new ATOM 0 HA SER A 61 41.783 -8.688 38.329 1.00 0.00 H new ATOM 425 N THR A 62 44.040 -8.485 39.838 1.00 0.00 N ATOM 426 CA THR A 62 44.869 -8.565 41.024 1.00 0.00 C ATOM 427 C THR A 62 46.160 -9.306 40.703 1.00 0.00 C ATOM 428 O THR A 62 46.756 -9.925 41.582 1.00 0.00 O ATOM 429 CB THR A 62 44.101 -9.271 42.137 1.00 0.00 C ATOM 0 H THR A 62 44.338 -9.094 39.076 1.00 0.00 H new ATOM 0 HA THR A 62 45.125 -7.560 41.361 1.00 0.00 H new ATOM 432 N ASP A 63 46.585 -9.245 39.439 1.00 0.00 N ATOM 433 CA ASP A 63 47.801 -9.903 39.002 1.00 0.00 C ATOM 434 C ASP A 63 47.763 -11.381 39.360 1.00 0.00 C ATOM 435 O ASP A 63 48.672 -11.882 40.020 1.00 0.00 O ATOM 436 CB ASP A 63 49.005 -9.222 39.647 1.00 0.00 C ATOM 0 H ASP A 63 46.095 -8.740 38.701 1.00 0.00 H new ATOM 0 HA ASP A 63 47.885 -9.822 37.918 1.00 0.00 H new ATOM 439 N LEU A 64 46.711 -12.079 38.924 1.00 0.00 N ATOM 440 CA LEU A 64 46.562 -13.495 39.195 1.00 0.00 C ATOM 441 C LEU A 64 47.466 -14.288 38.262 1.00 0.00 C ATOM 442 O LEU A 64 48.653 -14.447 38.537 1.00 0.00 O ATOM 443 CB LEU A 64 45.103 -13.898 39.007 1.00 0.00 C ATOM 0 H LEU A 64 45.950 -11.675 38.379 1.00 0.00 H new ATOM 0 HA LEU A 64 46.852 -13.709 40.224 1.00 0.00 H new ATOM 446 N PRO A 65 46.895 -14.787 37.161 1.00 0.00 N ATOM 447 CA PRO A 65 47.635 -15.560 36.182 1.00 0.00 C ATOM 448 C PRO A 65 48.378 -14.619 35.244 1.00 0.00 C ATOM 449 O PRO A 65 49.569 -14.373 35.424 1.00 0.00 O ATOM 450 CB PRO A 65 46.668 -16.444 35.400 1.00 0.00 C ATOM 0 HA PRO A 65 48.364 -16.195 36.686 1.00 0.00 H new ATOM 452 N GLY A 66 47.673 -14.101 34.236 1.00 0.00 N ATOM 453 CA GLY A 66 48.265 -13.190 33.278 1.00 0.00 C ATOM 454 C GLY A 66 47.379 -13.068 32.045 1.00 0.00 C ATOM 455 O GLY A 66 46.383 -13.779 31.922 1.00 0.00 O ATOM 0 H GLY A 66 46.687 -14.304 34.069 1.00 0.00 H new ATOM 0 HA2 GLY A 66 48.401 -12.210 33.735 1.00 0.00 H new ATOM 0 HA3 GLY A 66 49.254 -13.547 32.990 1.00 0.00 H new ATOM 459 N GLN A 67 47.746 -12.163 31.135 1.00 0.00 N ATOM 460 CA GLN A 67 46.993 -11.942 29.916 1.00 0.00 C ATOM 461 C GLN A 67 47.578 -10.752 29.170 1.00 0.00 C ATOM 462 O GLN A 67 48.447 -10.067 29.707 1.00 0.00 O ATOM 463 CB GLN A 67 45.526 -11.696 30.258 1.00 0.00 C ATOM 0 H GLN A 67 48.570 -11.570 31.229 1.00 0.00 H new ATOM 0 HA GLN A 67 47.057 -12.822 29.276 1.00 0.00 H new ATOM 466 N THR A 68 47.098 -10.529 27.939 1.00 0.00 N ATOM 467 CA THR A 68 47.541 -9.438 27.082 1.00 0.00 C ATOM 468 C THR A 68 46.334 -8.652 26.589 1.00 0.00 C ATOM 469 O THR A 68 45.404 -9.227 26.029 1.00 0.00 O ATOM 470 CB THR A 68 48.317 -10.015 25.901 1.00 0.00 C ATOM 0 H THR A 68 46.381 -11.114 27.511 1.00 0.00 H new ATOM 0 HA THR A 68 48.190 -8.765 27.643 1.00 0.00 H new ATOM 473 N GLU A 69 46.353 -7.333 26.800 1.00 0.00 N ATOM 474 CA GLU A 69 45.267 -6.471 26.376 1.00 0.00 C ATOM 475 C GLU A 69 45.512 -5.050 26.864 1.00 0.00 C ATOM 476 O GLU A 69 44.621 -4.430 27.440 1.00 0.00 O ATOM 477 CB GLU A 69 43.947 -7.008 26.921 1.00 0.00 C ATOM 0 H GLU A 69 47.118 -6.845 27.266 1.00 0.00 H new ATOM 0 HA GLU A 69 45.217 -6.456 25.287 1.00 0.00 H new ATOM 480 N ALA A 70 46.724 -4.537 26.635 1.00 0.00 N ATOM 481 CA ALA A 70 47.081 -3.194 27.050 1.00 0.00 C ATOM 482 C ALA A 70 46.831 -3.029 28.542 1.00 0.00 C ATOM 483 O ALA A 70 45.985 -2.235 28.946 1.00 0.00 O ATOM 484 CB ALA A 70 46.265 -2.182 26.250 1.00 0.00 C ATOM 0 H ALA A 70 47.473 -5.042 26.161 1.00 0.00 H new ATOM 0 HA ALA A 70 48.140 -3.021 26.859 1.00 0.00 H new ATOM 0 HB1 ALA A 70 46.532 -1.172 26.561 1.00 0.00 H new ATOM 0 HB2 ALA A 70 46.476 -2.303 25.188 1.00 0.00 H new ATOM 0 HB3 ALA A 70 45.203 -2.348 26.430 1.00 0.00 H new ATOM 487 N LYS A 71 47.573 -3.780 29.361 1.00 0.00 N ATOM 488 CA LYS A 71 47.424 -3.721 30.801 1.00 0.00 C ATOM 489 C LYS A 71 45.974 -4.005 31.168 1.00 0.00 C ATOM 490 O LYS A 71 45.374 -3.276 31.954 1.00 0.00 O ATOM 491 CB LYS A 71 47.852 -2.345 31.303 1.00 0.00 C ATOM 0 H LYS A 71 48.284 -4.437 29.040 1.00 0.00 H new ATOM 0 HA LYS A 71 48.058 -4.472 31.273 1.00 0.00 H new ATOM 494 N ALA A 72 45.413 -5.064 30.581 1.00 0.00 N ATOM 495 CA ALA A 72 44.038 -5.441 30.836 1.00 0.00 C ATOM 496 C ALA A 72 43.825 -5.694 32.322 1.00 0.00 C ATOM 497 O ALA A 72 42.762 -5.382 32.854 1.00 0.00 O ATOM 498 CB ALA A 72 43.690 -6.681 30.018 1.00 0.00 C ATOM 0 H ALA A 72 45.900 -5.673 29.924 1.00 0.00 H new ATOM 0 HA ALA A 72 43.379 -4.626 30.537 1.00 0.00 H new ATOM 0 HB1 ALA A 72 42.655 -6.965 30.210 1.00 0.00 H new ATOM 0 HB2 ALA A 72 43.816 -6.464 28.957 1.00 0.00 H new ATOM 0 HB3 ALA A 72 44.350 -7.501 30.302 1.00 0.00 H new ATOM 501 N ALA A 73 44.842 -6.246 32.990 1.00 0.00 N ATOM 502 CA ALA A 73 44.770 -6.535 34.409 1.00 0.00 C ATOM 503 C ALA A 73 45.023 -5.272 35.223 1.00 0.00 C ATOM 504 O ALA A 73 44.775 -5.282 36.427 1.00 0.00 O ATOM 505 CB ALA A 73 45.795 -7.611 34.757 1.00 0.00 C ATOM 0 H ALA A 73 45.730 -6.501 32.557 1.00 0.00 H new ATOM 0 HA ALA A 73 43.772 -6.899 34.653 1.00 0.00 H new ATOM 0 HB1 ALA A 73 45.744 -7.831 35.823 1.00 0.00 H new ATOM 0 HB2 ALA A 73 45.580 -8.516 34.189 1.00 0.00 H new ATOM 0 HB3 ALA A 73 46.795 -7.255 34.507 1.00 0.00 H new ATOM 508 N ILE A 74 45.499 -4.217 34.542 1.00 0.00 N ATOM 509 CA ILE A 74 45.815 -2.903 35.089 1.00 0.00 C ATOM 510 C ILE A 74 45.728 -2.758 36.602 1.00 0.00 C ATOM 511 O ILE A 74 45.074 -1.837 37.088 1.00 0.00 O ATOM 512 CB ILE A 74 44.914 -1.869 34.421 1.00 0.00 C ATOM 0 H ILE A 74 45.681 -4.269 33.540 1.00 0.00 H new ATOM 0 HA ILE A 74 46.871 -2.746 34.868 1.00 0.00 H new ATOM 515 N TRP A 75 46.376 -3.656 37.349 1.00 0.00 N ATOM 516 CA TRP A 75 46.379 -3.569 38.795 1.00 0.00 C ATOM 517 C TRP A 75 46.968 -2.215 39.156 1.00 0.00 C ATOM 518 O TRP A 75 47.715 -1.652 38.358 1.00 0.00 O ATOM 519 CB TRP A 75 47.213 -4.706 39.380 1.00 0.00 C ATOM 0 H TRP A 75 46.900 -4.445 36.970 1.00 0.00 H new ATOM 0 HA TRP A 75 45.372 -3.662 39.203 1.00 0.00 H new ATOM 522 N ALA A 76 46.635 -1.693 40.341 1.00 0.00 N ATOM 523 CA ALA A 76 47.098 -0.394 40.793 1.00 0.00 C ATOM 524 C ALA A 76 46.239 0.026 41.976 1.00 0.00 C ATOM 525 O ALA A 76 46.768 0.376 43.029 1.00 0.00 O ATOM 526 CB ALA A 76 46.968 0.640 39.677 1.00 0.00 C ATOM 0 H ALA A 76 46.032 -2.170 41.012 1.00 0.00 H new ATOM 0 HA ALA A 76 48.148 -0.457 41.080 1.00 0.00 H new ATOM 0 HB1 ALA A 76 47.320 1.608 40.035 1.00 0.00 H new ATOM 0 HB2 ALA A 76 47.568 0.329 38.821 1.00 0.00 H new ATOM 0 HB3 ALA A 76 45.923 0.722 39.377 1.00 0.00 H new ATOM 529 N ASN A 77 44.916 -0.043 41.779 1.00 0.00 N ATOM 530 CA ASN A 77 43.919 0.327 42.772 1.00 0.00 C ATOM 531 C ASN A 77 42.623 0.647 42.041 1.00 0.00 C ATOM 532 O ASN A 77 42.508 1.730 41.475 1.00 0.00 O ATOM 533 CB ASN A 77 44.365 1.554 43.565 1.00 0.00 C ATOM 0 H ASN A 77 44.508 -0.366 40.902 1.00 0.00 H new ATOM 0 HA ASN A 77 43.782 -0.498 43.471 1.00 0.00 H new ATOM 536 N MET A 78 41.669 -0.293 42.051 1.00 0.00 N ATOM 537 CA MET A 78 40.382 -0.131 41.390 1.00 0.00 C ATOM 538 C MET A 78 39.778 1.242 41.661 1.00 0.00 C ATOM 539 O MET A 78 39.206 1.860 40.766 1.00 0.00 O ATOM 540 CB MET A 78 39.436 -1.230 41.863 1.00 0.00 C ATOM 0 H MET A 78 41.776 -1.191 42.523 1.00 0.00 H new ATOM 0 HA MET A 78 40.533 -0.210 40.313 1.00 0.00 H new ATOM 543 N ASP A 79 39.921 1.721 42.897 1.00 0.00 N ATOM 544 CA ASP A 79 39.411 3.027 43.263 1.00 0.00 C ATOM 545 C ASP A 79 40.128 4.071 42.417 1.00 0.00 C ATOM 546 O ASP A 79 39.497 4.937 41.816 1.00 0.00 O ATOM 547 CB ASP A 79 39.648 3.272 44.751 1.00 0.00 C ATOM 0 H ASP A 79 40.386 1.220 43.654 1.00 0.00 H new ATOM 0 HA ASP A 79 38.338 3.088 43.080 1.00 0.00 H new ATOM 550 N ASP A 80 41.457 3.964 42.370 1.00 0.00 N ATOM 551 CA ASP A 80 42.271 4.876 41.592 1.00 0.00 C ATOM 552 C ASP A 80 41.847 4.814 40.131 1.00 0.00 C ATOM 553 O ASP A 80 41.678 5.845 39.480 1.00 0.00 O ATOM 554 CB ASP A 80 43.743 4.507 41.748 1.00 0.00 C ATOM 0 H ASP A 80 41.987 3.248 42.867 1.00 0.00 H new ATOM 0 HA ASP A 80 42.132 5.896 41.950 1.00 0.00 H new ATOM 557 N PHE A 81 41.668 3.594 39.618 1.00 0.00 N ATOM 558 CA PHE A 81 41.263 3.392 38.246 1.00 0.00 C ATOM 559 C PHE A 81 39.962 4.135 37.997 1.00 0.00 C ATOM 560 O PHE A 81 39.872 4.910 37.045 1.00 0.00 O ATOM 561 CB PHE A 81 41.106 1.899 37.970 1.00 0.00 C ATOM 0 H PHE A 81 41.801 2.732 40.146 1.00 0.00 H new ATOM 0 HA PHE A 81 42.023 3.783 37.569 1.00 0.00 H new ATOM 564 N GLY A 82 38.958 3.894 38.849 1.00 0.00 N ATOM 565 CA GLY A 82 37.672 4.554 38.747 1.00 0.00 C ATOM 566 C GLY A 82 37.883 6.054 38.639 1.00 0.00 C ATOM 567 O GLY A 82 37.178 6.724 37.887 1.00 0.00 O ATOM 0 H GLY A 82 39.025 3.235 39.624 1.00 0.00 H new ATOM 0 HA2 GLY A 82 37.131 4.188 37.874 1.00 0.00 H new ATOM 0 HA3 GLY A 82 37.062 4.323 39.620 1.00 0.00 H new ATOM 571 N ALA A 83 38.865 6.573 39.383 1.00 0.00 N ATOM 572 CA ALA A 83 39.199 7.980 39.340 1.00 0.00 C ATOM 573 C ALA A 83 39.459 8.380 37.895 1.00 0.00 C ATOM 574 O ALA A 83 38.711 9.192 37.362 1.00 0.00 O ATOM 575 CB ALA A 83 40.426 8.243 40.208 1.00 0.00 C ATOM 0 H ALA A 83 39.440 6.026 40.024 1.00 0.00 H new ATOM 0 HA ALA A 83 38.374 8.576 39.729 1.00 0.00 H new ATOM 0 HB1 ALA A 83 40.675 9.304 40.174 1.00 0.00 H new ATOM 0 HB2 ALA A 83 40.213 7.953 41.237 1.00 0.00 H new ATOM 0 HB3 ALA A 83 41.268 7.660 39.834 1.00 0.00 H new ATOM 578 N LYS A 84 40.515 7.813 37.295 1.00 0.00 N ATOM 579 CA LYS A 84 40.886 8.081 35.907 1.00 0.00 C ATOM 580 C LYS A 84 39.658 8.139 35.006 1.00 0.00 C ATOM 581 O LYS A 84 39.606 8.916 34.059 1.00 0.00 O ATOM 582 CB LYS A 84 41.856 7.005 35.428 1.00 0.00 C ATOM 0 H LYS A 84 41.135 7.154 37.765 1.00 0.00 H new ATOM 0 HA LYS A 84 41.372 9.056 35.856 1.00 0.00 H new ATOM 585 N GLY A 85 38.688 7.286 35.321 1.00 0.00 N ATOM 586 CA GLY A 85 37.437 7.257 34.586 1.00 0.00 C ATOM 587 C GLY A 85 36.856 8.663 34.642 1.00 0.00 C ATOM 588 O GLY A 85 36.804 9.363 33.633 1.00 0.00 O ATOM 0 H GLY A 85 38.748 6.608 36.080 1.00 0.00 H new ATOM 0 HA2 GLY A 85 37.603 6.949 33.554 1.00 0.00 H new ATOM 0 HA3 GLY A 85 36.747 6.537 35.026 1.00 0.00 H new ATOM 592 N LYS A 86 36.426 9.035 35.848 1.00 0.00 N ATOM 593 CA LYS A 86 35.888 10.357 36.111 1.00 0.00 C ATOM 594 C LYS A 86 36.774 11.442 35.495 1.00 0.00 C ATOM 595 O LYS A 86 36.274 12.325 34.801 1.00 0.00 O ATOM 596 CB LYS A 86 35.761 10.559 37.618 1.00 0.00 C ATOM 0 H LYS A 86 36.444 8.424 36.665 1.00 0.00 H new ATOM 0 HA LYS A 86 34.903 10.436 35.652 1.00 0.00 H new ATOM 599 N ALA A 87 38.086 11.371 35.746 1.00 0.00 N ATOM 600 CA ALA A 87 39.031 12.352 35.244 1.00 0.00 C ATOM 601 C ALA A 87 38.900 12.530 33.739 1.00 0.00 C ATOM 602 O ALA A 87 38.719 13.646 33.258 1.00 0.00 O ATOM 603 CB ALA A 87 40.448 11.924 35.615 1.00 0.00 C ATOM 0 H ALA A 87 38.513 10.631 36.302 1.00 0.00 H new ATOM 0 HA ALA A 87 38.811 13.316 35.704 1.00 0.00 H new ATOM 0 HB1 ALA A 87 41.160 12.659 35.239 1.00 0.00 H new ATOM 0 HB2 ALA A 87 40.535 11.856 36.699 1.00 0.00 H new ATOM 0 HB3 ALA A 87 40.662 10.952 35.172 1.00 0.00 H new ATOM 606 N MET A 88 39.004 11.421 33.006 1.00 0.00 N ATOM 607 CA MET A 88 38.892 11.428 31.563 1.00 0.00 C ATOM 608 C MET A 88 37.580 12.094 31.196 1.00 0.00 C ATOM 609 O MET A 88 37.537 12.930 30.300 1.00 0.00 O ATOM 610 CB MET A 88 38.943 9.996 31.039 1.00 0.00 C ATOM 0 H MET A 88 39.168 10.497 33.404 1.00 0.00 H new ATOM 0 HA MET A 88 39.717 11.980 31.113 1.00 0.00 H new ATOM 613 N HIS A 89 36.512 11.725 31.906 1.00 0.00 N ATOM 614 CA HIS A 89 35.204 12.309 31.682 1.00 0.00 C ATOM 615 C HIS A 89 35.261 13.824 31.871 1.00 0.00 C ATOM 616 O HIS A 89 34.668 14.563 31.090 1.00 0.00 O ATOM 617 CB HIS A 89 34.201 11.685 32.648 1.00 0.00 C ATOM 0 H HIS A 89 36.536 11.020 32.643 1.00 0.00 H new ATOM 0 HA HIS A 89 34.887 12.107 30.659 1.00 0.00 H new ATOM 620 N GLU A 90 35.969 14.272 32.913 1.00 0.00 N ATOM 621 CA GLU A 90 36.101 15.697 33.194 1.00 0.00 C ATOM 622 C GLU A 90 36.561 16.445 31.941 1.00 0.00 C ATOM 623 O GLU A 90 35.979 17.454 31.550 1.00 0.00 O ATOM 624 CB GLU A 90 37.094 15.897 34.335 1.00 0.00 C ATOM 0 H GLU A 90 36.457 13.666 33.572 1.00 0.00 H new ATOM 0 HA GLU A 90 35.132 16.099 33.491 1.00 0.00 H new ATOM 627 N ALA A 91 37.612 15.911 31.321 1.00 0.00 N ATOM 628 CA ALA A 91 38.158 16.489 30.099 1.00 0.00 C ATOM 629 C ALA A 91 37.208 16.230 28.927 1.00 0.00 C ATOM 630 O ALA A 91 37.070 17.049 28.022 1.00 0.00 O ATOM 631 CB ALA A 91 39.531 15.883 29.829 1.00 0.00 C ATOM 0 H ALA A 91 38.102 15.078 31.647 1.00 0.00 H new ATOM 0 HA ALA A 91 38.264 17.567 30.216 1.00 0.00 H new ATOM 0 HB1 ALA A 91 39.945 16.311 28.916 1.00 0.00 H new ATOM 0 HB2 ALA A 91 40.195 16.100 30.665 1.00 0.00 H new ATOM 0 HB3 ALA A 91 39.436 14.803 29.712 1.00 0.00 H new ATOM 634 N GLY A 92 36.565 15.066 28.978 1.00 0.00 N ATOM 635 CA GLY A 92 35.626 14.642 27.957 1.00 0.00 C ATOM 636 C GLY A 92 34.488 15.647 27.800 1.00 0.00 C ATOM 637 O GLY A 92 34.372 16.307 26.768 1.00 0.00 O ATOM 0 H GLY A 92 36.685 14.392 29.734 1.00 0.00 H new ATOM 0 HA2 GLY A 92 36.146 14.527 27.006 1.00 0.00 H new ATOM 0 HA3 GLY A 92 35.218 13.665 28.218 1.00 0.00 H new ATOM 641 N GLY A 93 33.645 15.755 28.829 1.00 0.00 N ATOM 642 CA GLY A 93 32.501 16.643 28.814 1.00 0.00 C ATOM 643 C GLY A 93 32.920 18.106 28.809 1.00 0.00 C ATOM 644 O GLY A 93 32.311 18.916 28.114 1.00 0.00 O ATOM 0 H GLY A 93 33.744 15.224 29.694 1.00 0.00 H new ATOM 0 HA2 GLY A 93 31.892 16.436 27.934 1.00 0.00 H new ATOM 0 HA3 GLY A 93 31.877 16.447 29.686 1.00 0.00 H new ATOM 648 N ALA A 94 33.955 18.457 29.577 1.00 0.00 N ATOM 649 CA ALA A 94 34.421 19.826 29.652 1.00 0.00 C ATOM 650 C ALA A 94 35.018 20.252 28.319 1.00 0.00 C ATOM 651 O ALA A 94 34.887 21.407 27.924 1.00 0.00 O ATOM 652 CB ALA A 94 35.456 19.946 30.767 1.00 0.00 C ATOM 0 H ALA A 94 34.482 17.802 30.154 1.00 0.00 H new ATOM 0 HA ALA A 94 33.581 20.484 29.873 1.00 0.00 H new ATOM 0 HB1 ALA A 94 35.809 20.975 30.826 1.00 0.00 H new ATOM 0 HB2 ALA A 94 35.002 19.663 31.717 1.00 0.00 H new ATOM 0 HB3 ALA A 94 36.297 19.286 30.555 1.00 0.00 H new ATOM 655 N VAL A 95 35.670 19.319 27.621 1.00 0.00 N ATOM 656 CA VAL A 95 36.282 19.604 26.339 1.00 0.00 C ATOM 657 C VAL A 95 35.198 19.899 25.315 1.00 0.00 C ATOM 658 O VAL A 95 35.322 20.839 24.533 1.00 0.00 O ATOM 659 CB VAL A 95 37.129 18.412 25.904 1.00 0.00 C ATOM 0 H VAL A 95 35.783 18.355 27.933 1.00 0.00 H new ATOM 0 HA VAL A 95 36.929 20.478 26.421 1.00 0.00 H new ATOM 662 N ILE A 96 34.129 19.100 25.324 1.00 0.00 N ATOM 663 CA ILE A 96 33.028 19.293 24.404 1.00 0.00 C ATOM 664 C ILE A 96 32.327 20.603 24.736 1.00 0.00 C ATOM 665 O ILE A 96 31.904 21.328 23.839 1.00 0.00 O ATOM 666 CB ILE A 96 32.061 18.118 24.516 1.00 0.00 C ATOM 0 H ILE A 96 34.011 18.314 25.963 1.00 0.00 H new ATOM 0 HA ILE A 96 33.397 19.340 23.379 1.00 0.00 H new ATOM 669 N ALA A 97 32.215 20.908 26.031 1.00 0.00 N ATOM 670 CA ALA A 97 31.573 22.126 26.482 1.00 0.00 C ATOM 671 C ALA A 97 32.369 23.335 26.012 1.00 0.00 C ATOM 672 O ALA A 97 31.820 24.232 25.376 1.00 0.00 O ATOM 673 CB ALA A 97 31.464 22.109 28.004 1.00 0.00 C ATOM 0 H ALA A 97 32.567 20.317 26.784 1.00 0.00 H new ATOM 0 HA ALA A 97 30.570 22.190 26.059 1.00 0.00 H new ATOM 0 HB1 ALA A 97 30.981 23.025 28.344 1.00 0.00 H new ATOM 0 HB2 ALA A 97 30.872 21.249 28.317 1.00 0.00 H new ATOM 0 HB3 ALA A 97 32.461 22.041 28.439 1.00 0.00 H new ATOM 676 N ALA A 98 33.668 23.359 26.324 1.00 0.00 N ATOM 677 CA ALA A 98 34.527 24.457 25.930 1.00 0.00 C ATOM 678 C ALA A 98 34.611 24.497 24.410 1.00 0.00 C ATOM 679 O ALA A 98 34.761 25.560 23.811 1.00 0.00 O ATOM 680 CB ALA A 98 35.909 24.271 26.549 1.00 0.00 C ATOM 0 H ALA A 98 34.140 22.624 26.850 1.00 0.00 H new ATOM 0 HA ALA A 98 34.119 25.403 26.285 1.00 0.00 H new ATOM 0 HB1 ALA A 98 36.555 25.097 26.252 1.00 0.00 H new ATOM 0 HB2 ALA A 98 35.821 24.251 27.635 1.00 0.00 H new ATOM 0 HB3 ALA A 98 36.339 23.332 26.202 1.00 0.00 H new ATOM 683 N ALA A 99 34.516 23.320 23.795 1.00 0.00 N ATOM 684 CA ALA A 99 34.553 23.218 22.351 1.00 0.00 C ATOM 685 C ALA A 99 33.444 24.089 21.770 1.00 0.00 C ATOM 686 O ALA A 99 33.683 24.891 20.870 1.00 0.00 O ATOM 687 CB ALA A 99 34.371 21.760 21.938 1.00 0.00 C ATOM 0 H ALA A 99 34.413 22.429 24.280 1.00 0.00 H new ATOM 0 HA ALA A 99 35.514 23.564 21.970 1.00 0.00 H new ATOM 0 HB1 ALA A 99 34.399 21.684 20.851 1.00 0.00 H new ATOM 0 HB2 ALA A 99 35.173 21.158 22.365 1.00 0.00 H new ATOM 0 HB3 ALA A 99 33.411 21.396 22.303 1.00 0.00 H new ATOM 690 N ASN A 100 32.232 23.923 22.305 1.00 0.00 N ATOM 691 CA ASN A 100 31.069 24.663 21.848 1.00 0.00 C ATOM 692 C ASN A 100 30.997 26.078 22.417 1.00 0.00 C ATOM 693 O ASN A 100 31.020 27.049 21.665 1.00 0.00 O ATOM 694 CB ASN A 100 29.810 23.883 22.216 1.00 0.00 C ATOM 0 H ASN A 100 32.037 23.272 23.065 1.00 0.00 H new ATOM 0 HA ASN A 100 31.152 24.772 20.767 1.00 0.00 H new ATOM 697 N ALA A 101 30.891 26.193 23.744 1.00 0.00 N ATOM 698 CA ALA A 101 30.744 27.481 24.403 1.00 0.00 C ATOM 699 C ALA A 101 32.057 28.247 24.518 1.00 0.00 C ATOM 700 O ALA A 101 32.077 29.465 24.356 1.00 0.00 O ATOM 701 CB ALA A 101 30.142 27.262 25.788 1.00 0.00 C ATOM 0 H ALA A 101 30.905 25.398 24.383 1.00 0.00 H new ATOM 0 HA ALA A 101 30.084 28.093 23.788 1.00 0.00 H new ATOM 0 HB1 ALA A 101 30.028 28.222 26.291 1.00 0.00 H new ATOM 0 HB2 ALA A 101 29.167 26.785 25.690 1.00 0.00 H new ATOM 0 HB3 ALA A 101 30.801 26.622 26.374 1.00 0.00 H new ATOM 704 N GLY A 102 33.151 27.538 24.799 1.00 0.00 N ATOM 705 CA GLY A 102 34.448 28.169 24.962 1.00 0.00 C ATOM 706 C GLY A 102 35.058 28.517 23.613 1.00 0.00 C ATOM 707 O GLY A 102 34.331 28.852 22.679 1.00 0.00 O ATOM 0 H GLY A 102 33.158 26.525 24.917 1.00 0.00 H new ATOM 0 HA2 GLY A 102 34.344 29.073 25.562 1.00 0.00 H new ATOM 0 HA3 GLY A 102 35.116 27.501 25.506 1.00 0.00 H new ATOM 711 N ASP A 103 36.392 28.423 23.539 1.00 0.00 N ATOM 712 CA ASP A 103 37.162 28.715 22.341 1.00 0.00 C ATOM 713 C ASP A 103 38.062 27.529 22.026 1.00 0.00 C ATOM 714 O ASP A 103 38.030 26.519 22.726 1.00 0.00 O ATOM 715 CB ASP A 103 37.997 29.972 22.574 1.00 0.00 C ATOM 0 H ASP A 103 36.969 28.136 24.329 1.00 0.00 H new ATOM 0 HA ASP A 103 36.494 28.887 21.497 1.00 0.00 H new ATOM 718 N GLY A 104 38.865 27.655 20.968 1.00 0.00 N ATOM 719 CA GLY A 104 39.760 26.594 20.550 1.00 0.00 C ATOM 720 C GLY A 104 40.896 26.398 21.545 1.00 0.00 C ATOM 721 O GLY A 104 41.522 25.339 21.567 1.00 0.00 O ATOM 0 H GLY A 104 38.908 28.492 20.386 1.00 0.00 H new ATOM 0 HA2 GLY A 104 39.201 25.664 20.447 1.00 0.00 H new ATOM 0 HA3 GLY A 104 40.171 26.829 19.568 1.00 0.00 H new ATOM 725 N ALA A 105 41.157 27.402 22.388 1.00 0.00 N ATOM 726 CA ALA A 105 42.214 27.331 23.376 1.00 0.00 C ATOM 727 C ALA A 105 41.673 26.539 24.556 1.00 0.00 C ATOM 728 O ALA A 105 42.410 25.830 25.237 1.00 0.00 O ATOM 729 CB ALA A 105 42.606 28.743 23.802 1.00 0.00 C ATOM 0 H ALA A 105 40.638 28.280 22.397 1.00 0.00 H new ATOM 0 HA ALA A 105 43.103 26.844 22.976 1.00 0.00 H new ATOM 0 HB1 ALA A 105 43.401 28.691 24.546 1.00 0.00 H new ATOM 0 HB2 ALA A 105 42.957 29.301 22.934 1.00 0.00 H new ATOM 0 HB3 ALA A 105 41.740 29.247 24.231 1.00 0.00 H new ATOM 732 N ALA A 106 40.362 26.674 24.779 1.00 0.00 N ATOM 733 CA ALA A 106 39.685 25.991 25.858 1.00 0.00 C ATOM 734 C ALA A 106 39.526 24.526 25.488 1.00 0.00 C ATOM 735 O ALA A 106 39.604 23.658 26.353 1.00 0.00 O ATOM 736 CB ALA A 106 38.324 26.642 26.095 1.00 0.00 C ATOM 0 H ALA A 106 39.751 27.261 24.211 1.00 0.00 H new ATOM 0 HA ALA A 106 40.266 26.063 26.777 1.00 0.00 H new ATOM 0 HB1 ALA A 106 37.812 26.128 26.908 1.00 0.00 H new ATOM 0 HB2 ALA A 106 38.463 27.690 26.358 1.00 0.00 H new ATOM 0 HB3 ALA A 106 37.724 26.572 25.187 1.00 0.00 H new ATOM 739 N PHE A 107 39.319 24.253 24.197 1.00 0.00 N ATOM 740 CA PHE A 107 39.152 22.899 23.709 1.00 0.00 C ATOM 741 C PHE A 107 40.510 22.223 23.584 1.00 0.00 C ATOM 742 O PHE A 107 40.605 21.001 23.676 1.00 0.00 O ATOM 743 CB PHE A 107 38.444 22.934 22.358 1.00 0.00 C ATOM 0 H PHE A 107 39.264 24.967 23.471 1.00 0.00 H new ATOM 0 HA PHE A 107 38.546 22.327 24.412 1.00 0.00 H new ATOM 746 N GLY A 108 41.564 23.018 23.382 1.00 0.00 N ATOM 747 CA GLY A 108 42.906 22.486 23.252 1.00 0.00 C ATOM 748 C GLY A 108 43.474 22.119 24.619 1.00 0.00 C ATOM 749 O GLY A 108 44.042 21.041 24.795 1.00 0.00 O ATOM 0 H GLY A 108 41.505 24.033 23.306 1.00 0.00 H new ATOM 0 HA2 GLY A 108 42.893 21.606 22.610 1.00 0.00 H new ATOM 0 HA3 GLY A 108 43.550 23.222 22.771 1.00 0.00 H new ATOM 753 N ALA A 109 43.295 23.002 25.604 1.00 0.00 N ATOM 754 CA ALA A 109 43.811 22.774 26.937 1.00 0.00 C ATOM 755 C ALA A 109 42.953 21.719 27.615 1.00 0.00 C ATOM 756 O ALA A 109 43.464 20.851 28.320 1.00 0.00 O ATOM 757 CB ALA A 109 43.782 24.082 27.724 1.00 0.00 C ATOM 0 H ALA A 109 42.793 23.883 25.493 1.00 0.00 H new ATOM 0 HA ALA A 109 44.842 22.423 26.892 1.00 0.00 H new ATOM 0 HB1 ALA A 109 44.170 23.911 28.728 1.00 0.00 H new ATOM 0 HB2 ALA A 109 44.399 24.825 27.218 1.00 0.00 H new ATOM 0 HB3 ALA A 109 42.756 24.445 27.789 1.00 0.00 H new ATOM 760 N ALA A 110 41.642 21.789 27.382 1.00 0.00 N ATOM 761 CA ALA A 110 40.726 20.830 27.956 1.00 0.00 C ATOM 762 C ALA A 110 41.058 19.461 27.390 1.00 0.00 C ATOM 763 O ALA A 110 41.189 18.494 28.139 1.00 0.00 O ATOM 764 CB ALA A 110 39.285 21.216 27.637 1.00 0.00 C ATOM 0 H ALA A 110 41.201 22.501 26.800 1.00 0.00 H new ATOM 0 HA ALA A 110 40.828 20.813 29.041 1.00 0.00 H new ATOM 0 HB1 ALA A 110 38.607 20.484 28.076 1.00 0.00 H new ATOM 0 HB2 ALA A 110 39.072 22.202 28.051 1.00 0.00 H new ATOM 0 HB3 ALA A 110 39.145 21.238 26.556 1.00 0.00 H new ATOM 767 N LEU A 111 41.209 19.369 26.066 1.00 0.00 N ATOM 768 CA LEU A 111 41.527 18.128 25.400 1.00 0.00 C ATOM 769 C LEU A 111 42.847 17.567 25.900 1.00 0.00 C ATOM 770 O LEU A 111 43.005 16.350 25.961 1.00 0.00 O ATOM 771 CB LEU A 111 41.587 18.380 23.898 1.00 0.00 C ATOM 0 H LEU A 111 41.111 20.163 25.434 1.00 0.00 H new ATOM 0 HA LEU A 111 40.754 17.392 25.619 1.00 0.00 H new ATOM 774 N GLN A 112 43.801 18.428 26.266 1.00 0.00 N ATOM 775 CA GLN A 112 45.075 17.973 26.781 1.00 0.00 C ATOM 776 C GLN A 112 44.837 17.432 28.181 1.00 0.00 C ATOM 777 O GLN A 112 45.561 16.554 28.643 1.00 0.00 O ATOM 778 CB GLN A 112 46.061 19.137 26.805 1.00 0.00 C ATOM 0 H GLN A 112 43.706 19.442 26.211 1.00 0.00 H new ATOM 0 HA GLN A 112 45.498 17.191 26.151 1.00 0.00 H new ATOM 781 N LYS A 113 43.802 17.950 28.851 1.00 0.00 N ATOM 782 CA LYS A 113 43.454 17.484 30.176 1.00 0.00 C ATOM 783 C LYS A 113 43.096 16.015 30.031 1.00 0.00 C ATOM 784 O LYS A 113 43.519 15.178 30.826 1.00 0.00 O ATOM 785 CB LYS A 113 42.276 18.290 30.714 1.00 0.00 C ATOM 0 H LYS A 113 43.199 18.689 28.490 1.00 0.00 H new ATOM 0 HA LYS A 113 44.276 17.609 30.881 1.00 0.00 H new ATOM 788 N LEU A 114 42.324 15.714 28.984 1.00 0.00 N ATOM 789 CA LEU A 114 41.927 14.354 28.684 1.00 0.00 C ATOM 790 C LEU A 114 43.137 13.590 28.165 1.00 0.00 C ATOM 791 O LEU A 114 43.204 12.369 28.287 1.00 0.00 O ATOM 792 CB LEU A 114 40.818 14.367 27.636 1.00 0.00 C ATOM 0 H LEU A 114 41.963 16.408 28.329 1.00 0.00 H new ATOM 0 HA LEU A 114 41.552 13.866 29.583 1.00 0.00 H new ATOM 795 N GLY A 115 44.100 14.317 27.592 1.00 0.00 N ATOM 796 CA GLY A 115 45.302 13.715 27.052 1.00 0.00 C ATOM 797 C GLY A 115 46.148 13.141 28.178 1.00 0.00 C ATOM 798 O GLY A 115 46.494 11.962 28.157 1.00 0.00 O ATOM 0 H GLY A 115 44.061 15.332 27.494 1.00 0.00 H new ATOM 0 HA2 GLY A 115 45.038 12.927 26.346 1.00 0.00 H new ATOM 0 HA3 GLY A 115 45.875 14.460 26.499 1.00 0.00 H new ATOM 802 N GLY A 116 46.481 13.977 29.165 1.00 0.00 N ATOM 803 CA GLY A 116 47.283 13.550 30.293 1.00 0.00 C ATOM 804 C GLY A 116 46.441 12.712 31.245 1.00 0.00 C ATOM 805 O GLY A 116 46.978 11.930 32.026 1.00 0.00 O ATOM 0 H GLY A 116 46.201 14.957 29.197 1.00 0.00 H new ATOM 0 HA2 GLY A 116 48.137 12.970 29.943 1.00 0.00 H new ATOM 0 HA3 GLY A 116 47.681 14.419 30.816 1.00 0.00 H new ATOM 809 N THR A 117 45.117 12.872 31.176 1.00 0.00 N ATOM 810 CA THR A 117 44.210 12.130 32.029 1.00 0.00 C ATOM 811 C THR A 117 44.284 10.646 31.697 1.00 0.00 C ATOM 812 O THR A 117 44.629 9.833 32.553 1.00 0.00 O ATOM 813 CB THR A 117 42.790 12.655 31.837 1.00 0.00 C ATOM 0 H THR A 117 44.656 13.514 30.532 1.00 0.00 H new ATOM 0 HA THR A 117 44.497 12.263 33.072 1.00 0.00 H new ATOM 816 N CYS A 118 43.959 10.294 30.451 1.00 0.00 N ATOM 817 CA CYS A 118 43.987 8.913 30.011 1.00 0.00 C ATOM 818 C CYS A 118 45.410 8.378 30.074 1.00 0.00 C ATOM 819 O CYS A 118 45.646 7.291 30.599 1.00 0.00 O ATOM 820 CB CYS A 118 43.439 8.824 28.590 1.00 0.00 C ATOM 0 H CYS A 118 43.673 10.957 29.731 1.00 0.00 H new ATOM 0 HA CYS A 118 43.364 8.306 30.667 1.00 0.00 H new ATOM 823 N LYS A 119 46.362 9.148 29.543 1.00 0.00 N ATOM 824 CA LYS A 119 47.756 8.750 29.542 1.00 0.00 C ATOM 825 C LYS A 119 48.210 8.496 30.971 1.00 0.00 C ATOM 826 O LYS A 119 48.937 7.541 31.235 1.00 0.00 O ATOM 827 CB LYS A 119 48.595 9.848 28.894 1.00 0.00 C ATOM 0 H LYS A 119 46.184 10.053 29.108 1.00 0.00 H new ATOM 0 HA LYS A 119 47.882 7.831 28.969 1.00 0.00 H new ATOM 830 N ALA A 120 47.769 9.352 31.896 1.00 0.00 N ATOM 831 CA ALA A 120 48.124 9.221 33.294 1.00 0.00 C ATOM 832 C ALA A 120 47.686 7.857 33.805 1.00 0.00 C ATOM 833 O ALA A 120 48.447 7.174 34.486 1.00 0.00 O ATOM 834 CB ALA A 120 47.457 10.337 34.093 1.00 0.00 C ATOM 0 H ALA A 120 47.162 10.145 31.691 1.00 0.00 H new ATOM 0 HA ALA A 120 49.204 9.305 33.412 1.00 0.00 H new ATOM 0 HB1 ALA A 120 47.723 10.240 35.146 1.00 0.00 H new ATOM 0 HB2 ALA A 120 47.796 11.304 33.721 1.00 0.00 H new ATOM 0 HB3 ALA A 120 46.375 10.266 33.984 1.00 0.00 H new ATOM 837 N CYS A 121 46.457 7.459 33.471 1.00 0.00 N ATOM 838 CA CYS A 121 45.924 6.178 33.890 1.00 0.00 C ATOM 839 C CYS A 121 46.855 5.059 33.444 1.00 0.00 C ATOM 840 O CYS A 121 47.171 4.164 34.224 1.00 0.00 O ATOM 841 CB CYS A 121 44.531 5.990 33.296 1.00 0.00 C ATOM 0 H CYS A 121 45.815 8.016 32.907 1.00 0.00 H new ATOM 0 HA CYS A 121 45.850 6.149 34.977 1.00 0.00 H new ATOM 844 N HIS A 122 47.299 5.116 32.186 1.00 0.00 N ATOM 845 CA HIS A 122 48.186 4.108 31.641 1.00 0.00 C ATOM 846 C HIS A 122 49.538 4.169 32.340 1.00 0.00 C ATOM 847 O HIS A 122 49.940 3.208 32.993 1.00 0.00 O ATOM 848 CB HIS A 122 48.344 4.328 30.139 1.00 0.00 C ATOM 0 H HIS A 122 47.052 5.857 31.530 1.00 0.00 H new ATOM 0 HA HIS A 122 47.760 3.119 31.809 1.00 0.00 H new ATOM 851 N ASP A 123 50.236 5.298 32.187 1.00 0.00 N ATOM 852 CA ASP A 123 51.539 5.500 32.794 1.00 0.00 C ATOM 853 C ASP A 123 51.498 5.171 34.280 1.00 0.00 C ATOM 854 O ASP A 123 52.522 4.830 34.869 1.00 0.00 O ATOM 855 CB ASP A 123 51.975 6.947 32.577 1.00 0.00 C ATOM 0 H ASP A 123 49.907 6.092 31.638 1.00 0.00 H new ATOM 0 HA ASP A 123 52.260 4.831 32.325 1.00 0.00 H new ATOM 858 N ASP A 124 50.309 5.262 34.880 1.00 0.00 N ATOM 859 CA ASP A 124 50.133 4.970 36.289 1.00 0.00 C ATOM 860 C ASP A 124 50.098 3.462 36.491 1.00 0.00 C ATOM 861 O ASP A 124 50.992 2.897 37.116 1.00 0.00 O ATOM 862 CB ASP A 124 48.839 5.611 36.782 1.00 0.00 C ATOM 0 H ASP A 124 49.452 5.539 34.400 1.00 0.00 H new ATOM 0 HA ASP A 124 50.965 5.380 36.862 1.00 0.00 H new ATOM 865 N TYR A 125 49.060 2.814 35.956 1.00 0.00 N ATOM 866 CA TYR A 125 48.907 1.377 36.069 1.00 0.00 C ATOM 867 C TYR A 125 49.829 0.689 35.072 1.00 0.00 C ATOM 868 O TYR A 125 50.577 1.353 34.357 1.00 0.00 O ATOM 869 CB TYR A 125 47.452 1.000 35.807 1.00 0.00 C ATOM 0 H TYR A 125 48.312 3.274 35.438 1.00 0.00 H new ATOM 0 HA TYR A 125 49.176 1.052 37.074 1.00 0.00 H new ATOM 872 N ARG A 126 49.770 -0.644 35.024 1.00 0.00 N ATOM 873 CA ARG A 126 50.597 -1.415 34.117 1.00 0.00 C ATOM 874 C ARG A 126 52.064 -1.068 34.332 1.00 0.00 C ATOM 875 O ARG A 126 52.853 -1.920 34.734 1.00 0.00 O ATOM 876 CB ARG A 126 50.180 -1.126 32.679 1.00 0.00 C ATOM 0 H ARG A 126 49.152 -1.206 35.609 1.00 0.00 H new ATOM 0 HA ARG A 126 50.463 -2.479 34.314 1.00 0.00 H new ATOM 879 N GLU A 127 52.426 0.187 34.059 1.00 0.00 N ATOM 880 CA GLU A 127 53.792 0.642 34.221 1.00 0.00 C ATOM 881 C GLU A 127 54.120 0.775 35.701 1.00 0.00 C ATOM 882 O GLU A 127 54.453 1.861 36.170 1.00 0.00 O ATOM 883 CB GLU A 127 53.970 1.978 33.505 1.00 0.00 C ATOM 0 H GLU A 127 51.782 0.903 33.723 1.00 0.00 H new ATOM 0 HA GLU A 127 54.476 -0.085 33.782 1.00 0.00 H new ATOM 886 N GLU A 128 54.026 -0.335 36.437 1.00 0.00 N ATOM 887 CA GLU A 128 54.313 -0.338 37.857 1.00 0.00 C ATOM 888 C GLU A 128 55.775 0.016 38.087 1.00 0.00 C ATOM 889 O GLU A 128 56.520 0.237 37.134 1.00 0.00 O ATOM 890 CB GLU A 128 53.992 -1.712 38.437 1.00 0.00 C ATOM 0 H GLU A 128 53.751 -1.243 36.062 1.00 0.00 H new ATOM 0 HA GLU A 128 53.695 0.407 38.359 1.00 0.00 H new ATOM 893 N ASP A 129 56.186 0.070 39.356 1.00 0.00 N ATOM 894 CA ASP A 129 57.554 0.397 39.705 1.00 0.00 C ATOM 895 C ASP A 129 57.824 0.005 41.151 1.00 0.00 C ATOM 896 O ASP A 129 58.799 0.548 41.713 1.00 0.00 O ATOM 897 CB ASP A 129 57.789 1.890 39.496 1.00 0.00 C ATOM 0 H ASP A 129 55.581 -0.111 40.157 1.00 0.00 H new ATOM 0 HA ASP A 129 58.240 -0.158 39.065 1.00 0.00 H new TER 900 ASP A 129 HETATM 901 FE HEM A 130 43.234 4.452 28.131 1.00 0.00 FE