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 36.084 -11.266 17.621 1.00 0.00 N ATOM 2 CA ALA A 1 37.454 -11.563 17.989 1.00 0.00 C ATOM 3 C ALA A 1 37.499 -12.897 18.721 1.00 0.00 C ATOM 4 O ALA A 1 38.171 -13.826 18.278 1.00 0.00 O ATOM 5 CB ALA A 1 38.316 -11.603 16.731 1.00 0.00 C ATOM 0 H1 ALA A 1 36.049 -10.355 17.120 1.00 0.00 H new ATOM 0 H2 ALA A 1 35.721 -12.017 17.000 1.00 0.00 H new ATOM 0 H3 ALA A 1 35.498 -11.213 18.479 1.00 0.00 H new ATOM 0 HA ALA A 1 37.843 -10.790 18.652 1.00 0.00 H new ATOM 0 HB1 ALA A 1 39.347 -11.826 17.004 1.00 0.00 H new ATOM 0 HB2 ALA A 1 37.943 -12.376 16.059 1.00 0.00 H new ATOM 0 HB3 ALA A 1 38.274 -10.636 16.230 1.00 0.00 H new ATOM 7 N ASP A 2 36.782 -12.989 19.843 1.00 0.00 N ATOM 8 CA ASP A 2 36.743 -14.206 20.629 1.00 0.00 C ATOM 9 C ASP A 2 35.939 -13.972 21.899 1.00 0.00 C ATOM 10 O ASP A 2 35.428 -12.876 22.117 1.00 0.00 O ATOM 11 CB ASP A 2 38.168 -14.640 20.963 1.00 0.00 C ATOM 0 H ASP A 2 36.221 -12.226 20.222 1.00 0.00 H new ATOM 0 HA ASP A 2 36.260 -14.999 20.057 1.00 0.00 H new ATOM 14 N THR A 3 35.826 -15.010 22.734 1.00 0.00 N ATOM 15 CA THR A 3 35.089 -14.923 23.979 1.00 0.00 C ATOM 16 C THR A 3 35.588 -13.748 24.808 1.00 0.00 C ATOM 17 O THR A 3 36.218 -13.942 25.845 1.00 0.00 O ATOM 18 CB THR A 3 35.243 -16.231 24.750 1.00 0.00 C ATOM 0 H THR A 3 36.243 -15.924 22.559 1.00 0.00 H new ATOM 0 HA THR A 3 34.033 -14.759 23.764 1.00 0.00 H new ATOM 21 N LYS A 4 35.299 -12.530 24.343 1.00 0.00 N ATOM 22 CA LYS A 4 35.707 -11.320 25.031 1.00 0.00 C ATOM 23 C LYS A 4 34.818 -10.166 24.590 1.00 0.00 C ATOM 24 O LYS A 4 35.297 -9.198 24.004 1.00 0.00 O ATOM 25 CB LYS A 4 37.172 -11.027 24.720 1.00 0.00 C ATOM 0 H LYS A 4 34.778 -12.364 23.482 1.00 0.00 H new ATOM 0 HA LYS A 4 35.602 -11.449 26.108 1.00 0.00 H new ATOM 28 N GLU A 5 33.518 -10.274 24.875 1.00 0.00 N ATOM 29 CA GLU A 5 32.562 -9.250 24.507 1.00 0.00 C ATOM 30 C GLU A 5 32.748 -8.022 25.387 1.00 0.00 C ATOM 31 O GLU A 5 32.821 -6.902 24.887 1.00 0.00 O ATOM 32 CB GLU A 5 31.148 -9.805 24.650 1.00 0.00 C ATOM 0 H GLU A 5 33.110 -11.071 25.364 1.00 0.00 H new ATOM 0 HA GLU A 5 32.724 -8.954 23.470 1.00 0.00 H new ATOM 35 N VAL A 6 32.829 -8.235 26.703 1.00 0.00 N ATOM 36 CA VAL A 6 32.999 -7.150 27.648 1.00 0.00 C ATOM 37 C VAL A 6 34.312 -6.428 27.389 1.00 0.00 C ATOM 38 O VAL A 6 34.359 -5.200 27.418 1.00 0.00 O ATOM 39 CB VAL A 6 32.956 -7.703 29.070 1.00 0.00 C ATOM 0 H VAL A 6 32.778 -9.159 27.132 1.00 0.00 H new ATOM 0 HA VAL A 6 32.189 -6.432 27.525 1.00 0.00 H new ATOM 42 N LEU A 7 35.380 -7.184 27.126 1.00 0.00 N ATOM 43 CA LEU A 7 36.678 -6.598 26.859 1.00 0.00 C ATOM 44 C LEU A 7 36.643 -5.917 25.500 1.00 0.00 C ATOM 45 O LEU A 7 37.039 -4.762 25.378 1.00 0.00 O ATOM 46 CB LEU A 7 37.746 -7.687 26.895 1.00 0.00 C ATOM 0 H LEU A 7 35.363 -8.203 27.094 1.00 0.00 H new ATOM 0 HA LEU A 7 36.920 -5.855 27.619 1.00 0.00 H new ATOM 49 N GLU A 8 36.176 -6.650 24.487 1.00 0.00 N ATOM 50 CA GLU A 8 36.069 -6.139 23.131 1.00 0.00 C ATOM 51 C GLU A 8 35.368 -4.786 23.103 1.00 0.00 C ATOM 52 O GLU A 8 35.853 -3.844 22.477 1.00 0.00 O ATOM 53 CB GLU A 8 35.319 -7.151 22.268 1.00 0.00 C ATOM 0 H GLU A 8 35.863 -7.615 24.591 1.00 0.00 H new ATOM 0 HA GLU A 8 37.073 -5.994 22.731 1.00 0.00 H new ATOM 56 N ALA A 9 34.228 -4.674 23.790 1.00 0.00 N ATOM 57 CA ALA A 9 33.492 -3.430 23.838 1.00 0.00 C ATOM 58 C ALA A 9 34.400 -2.400 24.475 1.00 0.00 C ATOM 59 O ALA A 9 34.477 -1.263 24.014 1.00 0.00 O ATOM 60 CB ALA A 9 32.212 -3.618 24.648 1.00 0.00 C ATOM 0 H ALA A 9 33.803 -5.436 24.318 1.00 0.00 H new ATOM 0 HA ALA A 9 33.199 -3.101 22.841 1.00 0.00 H new ATOM 0 HB1 ALA A 9 31.661 -2.678 24.681 1.00 0.00 H new ATOM 0 HB2 ALA A 9 31.594 -4.384 24.180 1.00 0.00 H new ATOM 0 HB3 ALA A 9 32.465 -3.926 25.662 1.00 0.00 H new ATOM 63 N ARG A 10 35.106 -2.806 25.532 1.00 0.00 N ATOM 64 CA ARG A 10 36.044 -1.933 26.199 1.00 0.00 C ATOM 65 C ARG A 10 37.094 -1.497 25.188 1.00 0.00 C ATOM 66 O ARG A 10 37.615 -0.386 25.275 1.00 0.00 O ATOM 67 CB ARG A 10 36.688 -2.674 27.367 1.00 0.00 C ATOM 0 H ARG A 10 35.038 -3.739 25.938 1.00 0.00 H new ATOM 0 HA ARG A 10 35.537 -1.053 26.594 1.00 0.00 H new ATOM 70 N GLU A 11 37.397 -2.361 24.212 1.00 0.00 N ATOM 71 CA GLU A 11 38.374 -2.023 23.198 1.00 0.00 C ATOM 72 C GLU A 11 37.830 -0.823 22.444 1.00 0.00 C ATOM 73 O GLU A 11 38.565 0.102 22.103 1.00 0.00 O ATOM 74 CB GLU A 11 38.578 -3.213 22.265 1.00 0.00 C ATOM 0 H GLU A 11 36.980 -3.286 24.112 1.00 0.00 H new ATOM 0 HA GLU A 11 39.342 -1.783 23.637 1.00 0.00 H new ATOM 77 N ALA A 12 36.518 -0.845 22.209 1.00 0.00 N ATOM 78 CA ALA A 12 35.837 0.229 21.511 1.00 0.00 C ATOM 79 C ALA A 12 35.946 1.505 22.333 1.00 0.00 C ATOM 80 O ALA A 12 36.185 2.581 21.790 1.00 0.00 O ATOM 81 CB ALA A 12 34.373 -0.153 21.307 1.00 0.00 C ATOM 0 H ALA A 12 35.905 -1.607 22.498 1.00 0.00 H new ATOM 0 HA ALA A 12 36.296 0.396 20.536 1.00 0.00 H new ATOM 0 HB1 ALA A 12 33.857 0.651 20.783 1.00 0.00 H new ATOM 0 HB2 ALA A 12 34.314 -1.067 20.717 1.00 0.00 H new ATOM 0 HB3 ALA A 12 33.901 -0.316 22.276 1.00 0.00 H new ATOM 84 N TYR A 13 35.779 1.373 23.651 1.00 0.00 N ATOM 85 CA TYR A 13 35.868 2.505 24.551 1.00 0.00 C ATOM 86 C TYR A 13 37.271 3.088 24.476 1.00 0.00 C ATOM 87 O TYR A 13 37.467 4.282 24.703 1.00 0.00 O ATOM 88 CB TYR A 13 35.545 2.050 25.972 1.00 0.00 C ATOM 0 H TYR A 13 35.581 0.485 24.112 1.00 0.00 H new ATOM 0 HA TYR A 13 35.151 3.274 24.263 1.00 0.00 H new ATOM 91 N PHE A 14 38.245 2.242 24.129 1.00 0.00 N ATOM 92 CA PHE A 14 39.625 2.665 24.014 1.00 0.00 C ATOM 93 C PHE A 14 39.782 3.467 22.732 1.00 0.00 C ATOM 94 O PHE A 14 40.554 4.421 22.683 1.00 0.00 O ATOM 95 CB PHE A 14 40.533 1.439 24.004 1.00 0.00 C ATOM 0 H PHE A 14 38.091 1.255 23.923 1.00 0.00 H new ATOM 0 HA PHE A 14 39.905 3.290 24.862 1.00 0.00 H new ATOM 98 N LYS A 15 39.038 3.077 21.693 1.00 0.00 N ATOM 99 CA LYS A 15 39.079 3.766 20.419 1.00 0.00 C ATOM 100 C LYS A 15 38.426 5.135 20.559 1.00 0.00 C ATOM 101 O LYS A 15 38.895 6.112 19.979 1.00 0.00 O ATOM 102 CB LYS A 15 38.358 2.928 19.367 1.00 0.00 C ATOM 0 H LYS A 15 38.399 2.282 21.719 1.00 0.00 H new ATOM 0 HA LYS A 15 40.113 3.906 20.105 1.00 0.00 H new ATOM 105 N SER A 16 37.344 5.205 21.337 1.00 0.00 N ATOM 106 CA SER A 16 36.639 6.454 21.553 1.00 0.00 C ATOM 107 C SER A 16 37.585 7.460 22.197 1.00 0.00 C ATOM 108 O SER A 16 37.931 8.475 21.590 1.00 0.00 O ATOM 109 CB SER A 16 35.423 6.206 22.441 1.00 0.00 C ATOM 0 H SER A 16 36.942 4.405 21.826 1.00 0.00 H new ATOM 0 HA SER A 16 36.294 6.858 20.601 1.00 0.00 H new ATOM 112 N LEU A 17 38.009 7.168 23.430 1.00 0.00 N ATOM 113 CA LEU A 17 38.924 8.037 24.141 1.00 0.00 C ATOM 114 C LEU A 17 40.176 8.180 23.290 1.00 0.00 C ATOM 115 O LEU A 17 40.819 9.229 23.282 1.00 0.00 O ATOM 116 CB LEU A 17 39.253 7.430 25.502 1.00 0.00 C ATOM 0 H LEU A 17 37.728 6.335 23.948 1.00 0.00 H new ATOM 0 HA LEU A 17 38.482 9.018 24.313 1.00 0.00 H new ATOM 119 N GLY A 18 40.497 7.115 22.551 1.00 0.00 N ATOM 120 CA GLY A 18 41.649 7.105 21.678 1.00 0.00 C ATOM 121 C GLY A 18 41.527 8.265 20.706 1.00 0.00 C ATOM 122 O GLY A 18 42.189 9.285 20.886 1.00 0.00 O ATOM 0 H GLY A 18 39.963 6.246 22.548 1.00 0.00 H new ATOM 0 HA2 GLY A 18 42.566 7.194 22.260 1.00 0.00 H new ATOM 0 HA3 GLY A 18 41.705 6.161 21.136 1.00 0.00 H new ATOM 126 N GLY A 19 40.687 8.108 19.677 1.00 0.00 N ATOM 127 CA GLY A 19 40.440 9.106 18.657 1.00 0.00 C ATOM 128 C GLY A 19 40.352 10.537 19.160 1.00 0.00 C ATOM 129 O GLY A 19 40.900 11.426 18.512 1.00 0.00 O ATOM 0 H GLY A 19 40.149 7.253 19.536 1.00 0.00 H new ATOM 0 HA2 GLY A 19 41.235 9.047 17.914 1.00 0.00 H new ATOM 0 HA3 GLY A 19 39.509 8.859 18.148 1.00 0.00 H new ATOM 133 N SER A 20 39.680 10.803 20.286 1.00 0.00 N ATOM 134 CA SER A 20 39.586 12.159 20.789 1.00 0.00 C ATOM 135 C SER A 20 40.999 12.669 21.055 1.00 0.00 C ATOM 136 O SER A 20 41.361 13.742 20.580 1.00 0.00 O ATOM 137 CB SER A 20 38.761 12.165 22.073 1.00 0.00 C ATOM 0 H SER A 20 39.203 10.102 20.852 1.00 0.00 H new ATOM 0 HA SER A 20 39.097 12.808 20.063 1.00 0.00 H new ATOM 140 N MET A 21 41.806 11.905 21.806 1.00 0.00 N ATOM 141 CA MET A 21 43.174 12.265 22.116 1.00 0.00 C ATOM 142 C MET A 21 43.988 12.551 20.859 1.00 0.00 C ATOM 143 O MET A 21 44.679 13.563 20.790 1.00 0.00 O ATOM 144 CB MET A 21 43.814 11.123 22.901 1.00 0.00 C ATOM 0 H MET A 21 41.514 11.016 22.212 1.00 0.00 H new ATOM 0 HA MET A 21 43.164 13.180 22.709 1.00 0.00 H new ATOM 147 N LYS A 22 43.918 11.649 19.878 1.00 0.00 N ATOM 148 CA LYS A 22 44.660 11.789 18.637 1.00 0.00 C ATOM 149 C LYS A 22 44.209 13.041 17.895 1.00 0.00 C ATOM 150 O LYS A 22 45.013 13.924 17.605 1.00 0.00 O ATOM 151 CB LYS A 22 44.446 10.547 17.776 1.00 0.00 C ATOM 0 H LYS A 22 43.346 10.806 19.927 1.00 0.00 H new ATOM 0 HA LYS A 22 45.723 11.888 18.858 1.00 0.00 H new ATOM 154 N ALA A 23 42.911 13.106 17.594 1.00 0.00 N ATOM 155 CA ALA A 23 42.356 14.265 16.917 1.00 0.00 C ATOM 156 C ALA A 23 42.644 15.508 17.761 1.00 0.00 C ATOM 157 O ALA A 23 42.596 16.633 17.267 1.00 0.00 O ATOM 158 CB ALA A 23 40.855 14.072 16.724 1.00 0.00 C ATOM 0 H ALA A 23 42.234 12.373 17.809 1.00 0.00 H new ATOM 0 HA ALA A 23 42.812 14.388 15.935 1.00 0.00 H new ATOM 0 HB1 ALA A 23 40.439 14.942 16.216 1.00 0.00 H new ATOM 0 HB2 ALA A 23 40.677 13.181 16.122 1.00 0.00 H new ATOM 0 HB3 ALA A 23 40.375 13.955 17.696 1.00 0.00 H new ATOM 161 N MET A 24 42.958 15.275 19.038 1.00 0.00 N ATOM 162 CA MET A 24 43.247 16.333 19.981 1.00 0.00 C ATOM 163 C MET A 24 44.680 16.812 19.804 1.00 0.00 C ATOM 164 O MET A 24 44.933 18.012 19.732 1.00 0.00 O ATOM 165 CB MET A 24 43.023 15.820 21.401 1.00 0.00 C ATOM 0 H MET A 24 43.016 14.339 19.439 1.00 0.00 H new ATOM 0 HA MET A 24 42.580 17.176 19.800 1.00 0.00 H new ATOM 168 N THR A 25 45.615 15.861 19.734 1.00 0.00 N ATOM 169 CA THR A 25 47.026 16.161 19.605 1.00 0.00 C ATOM 170 C THR A 25 47.349 16.743 18.238 1.00 0.00 C ATOM 171 O THR A 25 48.272 17.546 18.117 1.00 0.00 O ATOM 172 CB THR A 25 47.832 14.888 19.846 1.00 0.00 C ATOM 0 H THR A 25 45.405 14.863 19.766 1.00 0.00 H new ATOM 0 HA THR A 25 47.292 16.912 20.349 1.00 0.00 H new ATOM 175 N GLY A 26 46.593 16.356 17.206 1.00 0.00 N ATOM 176 CA GLY A 26 46.818 16.845 15.861 1.00 0.00 C ATOM 177 C GLY A 26 46.199 18.227 15.727 1.00 0.00 C ATOM 178 O GLY A 26 46.844 19.156 15.248 1.00 0.00 O ATOM 0 H GLY A 26 45.816 15.700 17.288 1.00 0.00 H new ATOM 0 HA2 GLY A 26 47.887 16.889 15.650 1.00 0.00 H new ATOM 0 HA3 GLY A 26 46.377 16.163 15.134 1.00 0.00 H new ATOM 182 N VAL A 27 44.943 18.360 16.162 1.00 0.00 N ATOM 183 CA VAL A 27 44.253 19.630 16.105 1.00 0.00 C ATOM 184 C VAL A 27 45.004 20.621 16.981 1.00 0.00 C ATOM 185 O VAL A 27 45.098 21.802 16.652 1.00 0.00 O ATOM 186 CB VAL A 27 42.817 19.451 16.591 1.00 0.00 C ATOM 0 H VAL A 27 44.392 17.597 16.556 1.00 0.00 H new ATOM 0 HA VAL A 27 44.220 20.006 15.083 1.00 0.00 H new ATOM 189 N ALA A 28 45.550 20.129 18.096 1.00 0.00 N ATOM 190 CA ALA A 28 46.295 20.961 19.020 1.00 0.00 C ATOM 191 C ALA A 28 47.582 21.458 18.379 1.00 0.00 C ATOM 192 O ALA A 28 47.937 22.623 18.539 1.00 0.00 O ATOM 193 CB ALA A 28 46.604 20.171 20.289 1.00 0.00 C ATOM 0 H ALA A 28 45.484 19.150 18.374 1.00 0.00 H new ATOM 0 HA ALA A 28 45.688 21.829 19.278 1.00 0.00 H new ATOM 0 HB1 ALA A 28 47.164 20.799 20.981 1.00 0.00 H new ATOM 0 HB2 ALA A 28 45.672 19.856 20.758 1.00 0.00 H new ATOM 0 HB3 ALA A 28 47.197 19.292 20.035 1.00 0.00 H new ATOM 196 N LYS A 29 48.286 20.587 17.649 1.00 0.00 N ATOM 197 CA LYS A 29 49.530 20.963 17.007 1.00 0.00 C ATOM 198 C LYS A 29 49.238 21.839 15.798 1.00 0.00 C ATOM 199 O LYS A 29 49.425 23.052 15.858 1.00 0.00 O ATOM 200 CB LYS A 29 50.292 19.706 16.595 1.00 0.00 C ATOM 0 H LYS A 29 48.007 19.618 17.493 1.00 0.00 H new ATOM 0 HA LYS A 29 50.147 21.531 17.703 1.00 0.00 H new ATOM 203 N ALA A 30 48.781 21.219 14.706 1.00 0.00 N ATOM 204 CA ALA A 30 48.450 21.929 13.485 1.00 0.00 C ATOM 205 C ALA A 30 47.026 22.450 13.596 1.00 0.00 C ATOM 206 O ALA A 30 46.144 21.992 12.873 1.00 0.00 O ATOM 207 CB ALA A 30 48.581 20.978 12.298 1.00 0.00 C ATOM 0 H ALA A 30 48.633 20.211 14.652 1.00 0.00 H new ATOM 0 HA ALA A 30 49.129 22.768 13.335 1.00 0.00 H new ATOM 0 HB1 ALA A 30 48.333 21.508 11.378 1.00 0.00 H new ATOM 0 HB2 ALA A 30 49.605 20.608 12.239 1.00 0.00 H new ATOM 0 HB3 ALA A 30 47.899 20.138 12.428 1.00 0.00 H new ATOM 210 N PHE A 31 46.814 23.395 14.518 1.00 0.00 N ATOM 211 CA PHE A 31 45.509 23.983 14.759 1.00 0.00 C ATOM 212 C PHE A 31 44.833 24.397 13.459 1.00 0.00 C ATOM 213 O PHE A 31 45.502 24.705 12.475 1.00 0.00 O ATOM 214 CB PHE A 31 45.659 25.182 15.691 1.00 0.00 C ATOM 0 H PHE A 31 47.551 23.769 15.116 1.00 0.00 H new ATOM 0 HA PHE A 31 44.873 23.233 15.229 1.00 0.00 H new ATOM 217 N ASP A 32 43.498 24.385 13.465 1.00 0.00 N ATOM 218 CA ASP A 32 42.718 24.746 12.297 1.00 0.00 C ATOM 219 C ASP A 32 41.285 25.111 12.674 1.00 0.00 C ATOM 220 O ASP A 32 40.530 25.567 11.818 1.00 0.00 O ATOM 221 CB ASP A 32 42.731 23.587 11.305 1.00 0.00 C ATOM 0 H ASP A 32 42.938 24.126 14.277 1.00 0.00 H new ATOM 0 HA ASP A 32 43.167 25.626 11.837 1.00 0.00 H new ATOM 224 N ALA A 33 40.911 24.904 13.943 1.00 0.00 N ATOM 225 CA ALA A 33 39.581 25.213 14.434 1.00 0.00 C ATOM 226 C ALA A 33 38.592 24.145 13.987 1.00 0.00 C ATOM 227 O ALA A 33 37.868 23.591 14.811 1.00 0.00 O ATOM 228 CB ALA A 33 39.148 26.604 13.974 1.00 0.00 C ATOM 0 H ALA A 33 41.532 24.516 14.653 1.00 0.00 H new ATOM 0 HA ALA A 33 39.600 25.217 15.524 1.00 0.00 H new ATOM 0 HB1 ALA A 33 38.148 26.817 14.352 1.00 0.00 H new ATOM 0 HB2 ALA A 33 39.847 27.348 14.357 1.00 0.00 H new ATOM 0 HB3 ALA A 33 39.139 26.641 12.885 1.00 0.00 H new ATOM 231 N GLU A 34 38.562 23.849 12.686 1.00 0.00 N ATOM 232 CA GLU A 34 37.660 22.853 12.146 1.00 0.00 C ATOM 233 C GLU A 34 37.964 21.479 12.729 1.00 0.00 C ATOM 234 O GLU A 34 37.059 20.786 13.188 1.00 0.00 O ATOM 235 CB GLU A 34 37.786 22.830 10.625 1.00 0.00 C ATOM 0 H GLU A 34 39.160 24.294 11.990 1.00 0.00 H new ATOM 0 HA GLU A 34 36.637 23.112 12.418 1.00 0.00 H new ATOM 238 N ALA A 35 39.240 21.083 12.716 1.00 0.00 N ATOM 239 CA ALA A 35 39.648 19.791 13.232 1.00 0.00 C ATOM 240 C ALA A 35 39.247 19.662 14.693 1.00 0.00 C ATOM 241 O ALA A 35 38.664 18.654 15.088 1.00 0.00 O ATOM 242 CB ALA A 35 41.158 19.638 13.072 1.00 0.00 C ATOM 0 H ALA A 35 40.006 21.649 12.350 1.00 0.00 H new ATOM 0 HA ALA A 35 39.150 19.000 12.672 1.00 0.00 H new ATOM 0 HB1 ALA A 35 41.468 18.667 13.459 1.00 0.00 H new ATOM 0 HB2 ALA A 35 41.421 19.709 12.017 1.00 0.00 H new ATOM 0 HB3 ALA A 35 41.665 20.428 13.626 1.00 0.00 H new ATOM 245 N ALA A 36 39.564 20.683 15.493 1.00 0.00 N ATOM 246 CA ALA A 36 39.238 20.687 16.906 1.00 0.00 C ATOM 247 C ALA A 36 37.751 20.428 17.092 1.00 0.00 C ATOM 248 O ALA A 36 37.368 19.573 17.889 1.00 0.00 O ATOM 249 CB ALA A 36 39.633 22.030 17.513 1.00 0.00 C ATOM 0 H ALA A 36 40.051 21.521 15.175 1.00 0.00 H new ATOM 0 HA ALA A 36 39.790 19.896 17.414 1.00 0.00 H new ATOM 0 HB1 ALA A 36 39.389 22.035 18.575 1.00 0.00 H new ATOM 0 HB2 ALA A 36 40.704 22.186 17.386 1.00 0.00 H new ATOM 0 HB3 ALA A 36 39.088 22.830 17.012 1.00 0.00 H new ATOM 252 N LYS A 37 36.919 21.170 16.355 1.00 0.00 N ATOM 253 CA LYS A 37 35.477 21.028 16.421 1.00 0.00 C ATOM 254 C LYS A 37 35.063 19.570 16.266 1.00 0.00 C ATOM 255 O LYS A 37 34.262 19.069 17.051 1.00 0.00 O ATOM 256 CB LYS A 37 34.837 21.885 15.334 1.00 0.00 C ATOM 0 H LYS A 37 37.235 21.884 15.698 1.00 0.00 H new ATOM 0 HA LYS A 37 35.133 21.366 17.399 1.00 0.00 H new ATOM 259 N VAL A 38 35.610 18.885 15.258 1.00 0.00 N ATOM 260 CA VAL A 38 35.288 17.492 15.016 1.00 0.00 C ATOM 261 C VAL A 38 35.803 16.632 16.162 1.00 0.00 C ATOM 262 O VAL A 38 35.221 15.594 16.482 1.00 0.00 O ATOM 263 CB VAL A 38 35.908 17.053 13.692 1.00 0.00 C ATOM 0 H VAL A 38 36.280 19.282 14.599 1.00 0.00 H new ATOM 0 HA VAL A 38 34.206 17.371 14.958 1.00 0.00 H new ATOM 266 N GLU A 39 36.881 17.077 16.811 1.00 0.00 N ATOM 267 CA GLU A 39 37.452 16.342 17.915 1.00 0.00 C ATOM 268 C GLU A 39 36.452 16.437 19.050 1.00 0.00 C ATOM 269 O GLU A 39 36.149 15.440 19.699 1.00 0.00 O ATOM 270 CB GLU A 39 38.794 16.956 18.306 1.00 0.00 C ATOM 0 H GLU A 39 37.368 17.944 16.583 1.00 0.00 H new ATOM 0 HA GLU A 39 37.641 15.300 17.658 1.00 0.00 H new ATOM 273 N ALA A 40 35.935 17.648 19.271 1.00 0.00 N ATOM 274 CA ALA A 40 34.938 17.890 20.290 1.00 0.00 C ATOM 275 C ALA A 40 33.769 16.940 20.083 1.00 0.00 C ATOM 276 O ALA A 40 33.242 16.395 21.047 1.00 0.00 O ATOM 277 CB ALA A 40 34.477 19.343 20.215 1.00 0.00 C ATOM 0 H ALA A 40 36.202 18.480 18.744 1.00 0.00 H new ATOM 0 HA ALA A 40 35.362 17.712 21.278 1.00 0.00 H new ATOM 0 HB1 ALA A 40 33.725 19.526 20.983 1.00 0.00 H new ATOM 0 HB2 ALA A 40 35.329 20.004 20.376 1.00 0.00 H new ATOM 0 HB3 ALA A 40 34.047 19.538 19.233 1.00 0.00 H new ATOM 280 N ALA A 41 33.359 16.735 18.828 1.00 0.00 N ATOM 281 CA ALA A 41 32.267 15.833 18.520 1.00 0.00 C ATOM 282 C ALA A 41 32.579 14.454 19.083 1.00 0.00 C ATOM 283 O ALA A 41 31.772 13.874 19.811 1.00 0.00 O ATOM 284 CB ALA A 41 32.070 15.770 17.008 1.00 0.00 C ATOM 0 H ALA A 41 33.774 17.187 18.013 1.00 0.00 H new ATOM 0 HA ALA A 41 31.345 16.195 18.974 1.00 0.00 H new ATOM 0 HB1 ALA A 41 31.249 15.092 16.776 1.00 0.00 H new ATOM 0 HB2 ALA A 41 31.837 16.765 16.630 1.00 0.00 H new ATOM 0 HB3 ALA A 41 32.984 15.408 16.537 1.00 0.00 H new ATOM 287 N LYS A 42 33.767 13.930 18.766 1.00 0.00 N ATOM 288 CA LYS A 42 34.167 12.632 19.270 1.00 0.00 C ATOM 289 C LYS A 42 34.180 12.718 20.789 1.00 0.00 C ATOM 290 O LYS A 42 33.802 11.770 21.480 1.00 0.00 O ATOM 291 CB LYS A 42 35.549 12.276 18.729 1.00 0.00 C ATOM 0 H LYS A 42 34.456 14.387 18.168 1.00 0.00 H new ATOM 0 HA LYS A 42 33.476 11.853 18.949 1.00 0.00 H new ATOM 294 N LEU A 43 34.600 13.882 21.296 1.00 0.00 N ATOM 295 CA LEU A 43 34.654 14.132 22.719 1.00 0.00 C ATOM 296 C LEU A 43 33.284 13.841 23.300 1.00 0.00 C ATOM 297 O LEU A 43 33.154 12.896 24.072 1.00 0.00 O ATOM 298 CB LEU A 43 35.077 15.574 22.984 1.00 0.00 C ATOM 0 H LEU A 43 34.909 14.668 20.724 1.00 0.00 H new ATOM 0 HA LEU A 43 35.392 13.486 23.195 1.00 0.00 H new ATOM 301 N GLU A 44 32.278 14.640 22.920 1.00 0.00 N ATOM 302 CA GLU A 44 30.903 14.486 23.355 1.00 0.00 C ATOM 303 C GLU A 44 30.459 13.033 23.401 1.00 0.00 C ATOM 304 O GLU A 44 29.859 12.616 24.389 1.00 0.00 O ATOM 305 CB GLU A 44 29.995 15.284 22.423 1.00 0.00 C ATOM 0 H GLU A 44 32.412 15.428 22.286 1.00 0.00 H new ATOM 0 HA GLU A 44 30.832 14.865 24.375 1.00 0.00 H new ATOM 308 N LYS A 45 30.743 12.252 22.351 1.00 0.00 N ATOM 309 CA LYS A 45 30.369 10.850 22.332 1.00 0.00 C ATOM 310 C LYS A 45 30.981 10.165 23.546 1.00 0.00 C ATOM 311 O LYS A 45 30.350 9.320 24.176 1.00 0.00 O ATOM 312 CB LYS A 45 30.865 10.209 21.039 1.00 0.00 C ATOM 0 H LYS A 45 31.228 12.573 21.513 1.00 0.00 H new ATOM 0 HA LYS A 45 29.285 10.744 22.372 1.00 0.00 H new ATOM 315 N ILE A 46 32.214 10.554 23.877 1.00 0.00 N ATOM 316 CA ILE A 46 32.890 10.002 25.037 1.00 0.00 C ATOM 317 C ILE A 46 32.224 10.550 26.298 1.00 0.00 C ATOM 318 O ILE A 46 32.026 9.824 27.270 1.00 0.00 O ATOM 319 CB ILE A 46 34.368 10.380 24.994 1.00 0.00 C ATOM 0 H ILE A 46 32.756 11.245 23.358 1.00 0.00 H new ATOM 0 HA ILE A 46 32.816 8.914 25.039 1.00 0.00 H new ATOM 322 N LEU A 47 31.881 11.840 26.253 1.00 0.00 N ATOM 323 CA LEU A 47 31.235 12.529 27.357 1.00 0.00 C ATOM 324 C LEU A 47 30.034 11.741 27.857 1.00 0.00 C ATOM 325 O LEU A 47 29.904 11.513 29.058 1.00 0.00 O ATOM 326 CB LEU A 47 30.813 13.925 26.913 1.00 0.00 C ATOM 0 H LEU A 47 32.048 12.434 25.441 1.00 0.00 H new ATOM 0 HA LEU A 47 31.944 12.616 28.180 1.00 0.00 H new ATOM 329 N ALA A 48 29.157 11.316 26.943 1.00 0.00 N ATOM 330 CA ALA A 48 27.990 10.539 27.309 1.00 0.00 C ATOM 331 C ALA A 48 28.481 9.132 27.600 1.00 0.00 C ATOM 332 O ALA A 48 28.552 8.751 28.767 1.00 0.00 O ATOM 333 CB ALA A 48 26.983 10.546 26.162 1.00 0.00 C ATOM 0 H ALA A 48 29.242 11.502 25.944 1.00 0.00 H new ATOM 0 HA ALA A 48 27.486 10.954 28.182 1.00 0.00 H new ATOM 0 HB1 ALA A 48 26.108 9.960 26.443 1.00 0.00 H new ATOM 0 HB2 ALA A 48 26.681 11.571 25.950 1.00 0.00 H new ATOM 0 HB3 ALA A 48 27.441 10.111 25.273 1.00 0.00 H new ATOM 336 N THR A 49 28.791 8.397 26.520 1.00 0.00 N ATOM 337 CA THR A 49 29.342 7.051 26.611 1.00 0.00 C ATOM 338 C THR A 49 30.334 7.004 27.764 1.00 0.00 C ATOM 339 O THR A 49 31.367 7.670 27.737 1.00 0.00 O ATOM 340 CB THR A 49 30.020 6.687 25.293 1.00 0.00 C ATOM 0 H THR A 49 28.664 8.726 25.563 1.00 0.00 H new ATOM 0 HA THR A 49 28.548 6.328 26.797 1.00 0.00 H new ATOM 343 N ASP A 50 29.966 6.230 28.789 1.00 0.00 N ATOM 344 CA ASP A 50 30.715 6.157 30.028 1.00 0.00 C ATOM 345 C ASP A 50 31.845 5.143 29.995 1.00 0.00 C ATOM 346 O ASP A 50 31.791 4.155 29.266 1.00 0.00 O ATOM 347 CB ASP A 50 29.754 5.835 31.169 1.00 0.00 C ATOM 0 H ASP A 50 29.136 5.638 28.774 1.00 0.00 H new ATOM 0 HA ASP A 50 31.187 7.128 30.179 1.00 0.00 H new ATOM 350 N VAL A 51 32.871 5.409 30.807 1.00 0.00 N ATOM 351 CA VAL A 51 34.014 4.532 30.936 1.00 0.00 C ATOM 352 C VAL A 51 33.549 3.250 31.607 1.00 0.00 C ATOM 353 O VAL A 51 33.973 2.157 31.236 1.00 0.00 O ATOM 354 CB VAL A 51 35.089 5.221 31.771 1.00 0.00 C ATOM 0 H VAL A 51 32.923 6.244 31.391 1.00 0.00 H new ATOM 0 HA VAL A 51 34.439 4.299 29.960 1.00 0.00 H new ATOM 357 N ALA A 52 32.661 3.395 32.592 1.00 0.00 N ATOM 358 CA ALA A 52 32.114 2.263 33.308 1.00 0.00 C ATOM 359 C ALA A 52 31.103 1.570 32.406 1.00 0.00 C ATOM 360 O ALA A 52 29.950 1.991 32.338 1.00 0.00 O ATOM 361 CB ALA A 52 31.448 2.749 34.592 1.00 0.00 C ATOM 0 H ALA A 52 32.308 4.299 32.907 1.00 0.00 H new ATOM 0 HA ALA A 52 32.902 1.559 33.576 1.00 0.00 H new ATOM 0 HB1 ALA A 52 31.035 1.897 35.133 1.00 0.00 H new ATOM 0 HB2 ALA A 52 32.186 3.252 35.217 1.00 0.00 H new ATOM 0 HB3 ALA A 52 30.646 3.445 34.345 1.00 0.00 H new ATOM 364 N PRO A 53 31.549 0.520 31.710 1.00 0.00 N ATOM 365 CA PRO A 53 30.713 -0.241 30.798 1.00 0.00 C ATOM 366 C PRO A 53 31.412 -1.534 30.395 1.00 0.00 C ATOM 367 O PRO A 53 30.835 -2.335 29.662 1.00 0.00 O ATOM 368 CB PRO A 53 29.377 -0.566 31.461 1.00 0.00 C ATOM 0 HA PRO A 53 30.535 0.360 29.906 1.00 0.00 H new ATOM 370 N LEU A 54 32.640 -1.742 30.884 1.00 0.00 N ATOM 371 CA LEU A 54 33.398 -2.946 30.606 1.00 0.00 C ATOM 372 C LEU A 54 33.009 -4.035 31.601 1.00 0.00 C ATOM 373 O LEU A 54 33.556 -5.134 31.550 1.00 0.00 O ATOM 374 CB LEU A 54 34.889 -2.638 30.706 1.00 0.00 C ATOM 0 H LEU A 54 33.127 -1.075 31.482 1.00 0.00 H new ATOM 0 HA LEU A 54 33.177 -3.299 29.599 1.00 0.00 H new ATOM 377 N PHE A 55 32.060 -3.730 32.495 1.00 0.00 N ATOM 378 CA PHE A 55 31.582 -4.662 33.503 1.00 0.00 C ATOM 379 C PHE A 55 30.751 -3.879 34.509 1.00 0.00 C ATOM 380 O PHE A 55 30.726 -2.651 34.455 1.00 0.00 O ATOM 381 CB PHE A 55 32.760 -5.336 34.201 1.00 0.00 C ATOM 0 H PHE A 55 31.603 -2.819 32.533 1.00 0.00 H new ATOM 0 HA PHE A 55 30.977 -5.441 33.039 1.00 0.00 H new ATOM 384 N PRO A 56 30.065 -4.579 35.420 1.00 0.00 N ATOM 385 CA PRO A 56 29.276 -3.916 36.441 1.00 0.00 C ATOM 386 C PRO A 56 30.231 -3.015 37.206 1.00 0.00 C ATOM 387 O PRO A 56 30.160 -1.793 37.105 1.00 0.00 O ATOM 388 CB PRO A 56 28.157 -3.109 35.788 1.00 0.00 C ATOM 0 HA PRO A 56 28.804 -4.630 37.116 1.00 0.00 H new ATOM 390 N ALA A 57 31.143 -3.637 37.954 1.00 0.00 N ATOM 391 CA ALA A 57 32.202 -2.984 38.691 1.00 0.00 C ATOM 392 C ALA A 57 33.226 -4.107 38.737 1.00 0.00 C ATOM 393 O ALA A 57 32.946 -5.168 38.184 1.00 0.00 O ATOM 394 CB ALA A 57 31.719 -2.588 40.084 1.00 0.00 C ATOM 0 H ALA A 57 31.156 -4.651 38.061 1.00 0.00 H new ATOM 0 HA ALA A 57 32.576 -2.056 38.259 1.00 0.00 H new ATOM 0 HB1 ALA A 57 32.529 -2.098 40.624 1.00 0.00 H new ATOM 0 HB2 ALA A 57 30.875 -1.903 39.996 1.00 0.00 H new ATOM 0 HB3 ALA A 57 31.407 -3.480 40.628 1.00 0.00 H new ATOM 397 N GLY A 58 34.397 -3.956 39.359 1.00 0.00 N ATOM 398 CA GLY A 58 35.353 -5.044 39.402 1.00 0.00 C ATOM 399 C GLY A 58 35.873 -5.372 38.010 1.00 0.00 C ATOM 400 O GLY A 58 36.978 -4.971 37.651 1.00 0.00 O ATOM 0 H GLY A 58 34.695 -3.102 39.830 1.00 0.00 H new ATOM 0 HA2 GLY A 58 36.186 -4.774 40.051 1.00 0.00 H new ATOM 0 HA3 GLY A 58 34.884 -5.927 39.836 1.00 0.00 H new ATOM 404 N THR A 59 35.082 -6.113 37.229 1.00 0.00 N ATOM 405 CA THR A 59 35.482 -6.505 35.892 1.00 0.00 C ATOM 406 C THR A 59 36.800 -7.264 35.985 1.00 0.00 C ATOM 407 O THR A 59 36.831 -8.385 36.488 1.00 0.00 O ATOM 408 CB THR A 59 35.607 -5.264 35.012 1.00 0.00 C ATOM 0 H THR A 59 34.161 -6.450 37.508 1.00 0.00 H new ATOM 0 HA THR A 59 34.735 -7.157 35.439 1.00 0.00 H new ATOM 411 N SER A 60 37.888 -6.659 35.497 1.00 0.00 N ATOM 412 CA SER A 60 39.208 -7.257 35.551 1.00 0.00 C ATOM 413 C SER A 60 39.687 -7.373 36.993 1.00 0.00 C ATOM 414 O SER A 60 38.890 -7.594 37.902 1.00 0.00 O ATOM 415 CB SER A 60 40.169 -6.398 34.736 1.00 0.00 C ATOM 0 H SER A 60 37.869 -5.740 35.055 1.00 0.00 H new ATOM 0 HA SER A 60 39.170 -8.263 35.132 1.00 0.00 H new ATOM 418 N SER A 61 40.997 -7.214 37.205 1.00 0.00 N ATOM 419 CA SER A 61 41.573 -7.319 38.531 1.00 0.00 C ATOM 420 C SER A 61 41.458 -8.753 39.023 1.00 0.00 C ATOM 421 O SER A 61 40.755 -9.025 39.993 1.00 0.00 O ATOM 422 CB SER A 61 40.856 -6.360 39.477 1.00 0.00 C ATOM 0 H SER A 61 41.672 -7.012 36.468 1.00 0.00 H new ATOM 0 HA SER A 61 42.628 -7.048 38.499 1.00 0.00 H new ATOM 425 N THR A 62 42.154 -9.672 38.350 1.00 0.00 N ATOM 426 CA THR A 62 42.125 -11.073 38.719 1.00 0.00 C ATOM 427 C THR A 62 43.229 -11.831 37.995 1.00 0.00 C ATOM 428 O THR A 62 43.854 -12.709 38.588 1.00 0.00 O ATOM 429 CB THR A 62 40.757 -11.657 38.376 1.00 0.00 C ATOM 0 H THR A 62 42.744 -9.461 37.545 1.00 0.00 H new ATOM 0 HA THR A 62 42.295 -11.170 39.791 1.00 0.00 H new ATOM 432 N ASP A 63 43.462 -11.474 36.726 1.00 0.00 N ATOM 433 CA ASP A 63 44.471 -12.103 35.887 1.00 0.00 C ATOM 434 C ASP A 63 45.705 -11.214 35.808 1.00 0.00 C ATOM 435 O ASP A 63 45.676 -10.072 36.261 1.00 0.00 O ATOM 436 CB ASP A 63 43.889 -12.320 34.493 1.00 0.00 C ATOM 0 H ASP A 63 42.946 -10.731 36.254 1.00 0.00 H new ATOM 0 HA ASP A 63 44.761 -13.063 36.314 1.00 0.00 H new ATOM 439 N LEU A 64 46.786 -11.751 35.234 1.00 0.00 N ATOM 440 CA LEU A 64 48.031 -11.021 35.080 1.00 0.00 C ATOM 441 C LEU A 64 48.817 -11.606 33.914 1.00 0.00 C ATOM 442 O LEU A 64 48.276 -12.389 33.136 1.00 0.00 O ATOM 443 CB LEU A 64 48.835 -11.108 36.374 1.00 0.00 C ATOM 0 H LEU A 64 46.815 -12.702 34.867 1.00 0.00 H new ATOM 0 HA LEU A 64 47.825 -9.971 34.870 1.00 0.00 H new ATOM 446 N PRO A 65 50.093 -11.228 33.795 1.00 0.00 N ATOM 447 CA PRO A 65 50.937 -11.720 32.724 1.00 0.00 C ATOM 448 C PRO A 65 52.367 -11.226 32.898 1.00 0.00 C ATOM 449 O PRO A 65 52.638 -10.388 33.755 1.00 0.00 O ATOM 450 CB PRO A 65 50.902 -13.246 32.710 1.00 0.00 C ATOM 0 HA PRO A 65 50.561 -11.342 31.773 1.00 0.00 H new ATOM 452 N GLY A 66 53.275 -11.758 32.076 1.00 0.00 N ATOM 453 CA GLY A 66 54.679 -11.392 32.126 1.00 0.00 C ATOM 454 C GLY A 66 54.919 -10.098 31.360 1.00 0.00 C ATOM 455 O GLY A 66 54.541 -9.986 30.196 1.00 0.00 O ATOM 0 H GLY A 66 53.051 -12.451 31.362 1.00 0.00 H new ATOM 0 HA2 GLY A 66 54.993 -11.272 33.163 1.00 0.00 H new ATOM 0 HA3 GLY A 66 55.285 -12.192 31.700 1.00 0.00 H new ATOM 459 N GLN A 67 55.555 -9.124 32.018 1.00 0.00 N ATOM 460 CA GLN A 67 55.846 -7.842 31.406 1.00 0.00 C ATOM 461 C GLN A 67 54.552 -7.068 31.195 1.00 0.00 C ATOM 462 O GLN A 67 53.524 -7.660 30.879 1.00 0.00 O ATOM 463 CB GLN A 67 56.572 -8.060 30.081 1.00 0.00 C ATOM 0 H GLN A 67 55.877 -9.209 32.982 1.00 0.00 H new ATOM 0 HA GLN A 67 56.492 -7.259 32.063 1.00 0.00 H new ATOM 466 N THR A 68 54.603 -5.747 31.393 1.00 0.00 N ATOM 467 CA THR A 68 53.445 -4.886 31.236 1.00 0.00 C ATOM 468 C THR A 68 52.746 -5.122 29.902 1.00 0.00 C ATOM 469 O THR A 68 51.841 -5.949 29.813 1.00 0.00 O ATOM 470 CB THR A 68 53.882 -3.429 31.358 1.00 0.00 C ATOM 0 H THR A 68 55.452 -5.252 31.666 1.00 0.00 H new ATOM 0 HA THR A 68 52.729 -5.123 32.023 1.00 0.00 H new ATOM 473 N GLU A 69 53.150 -4.378 28.870 1.00 0.00 N ATOM 474 CA GLU A 69 52.551 -4.506 27.556 1.00 0.00 C ATOM 475 C GLU A 69 51.054 -4.256 27.667 1.00 0.00 C ATOM 476 O GLU A 69 50.588 -3.150 27.399 1.00 0.00 O ATOM 477 CB GLU A 69 52.832 -5.898 26.998 1.00 0.00 C ATOM 0 H GLU A 69 53.892 -3.681 28.928 1.00 0.00 H new ATOM 0 HA GLU A 69 52.981 -3.772 26.874 1.00 0.00 H new ATOM 480 N ALA A 70 50.307 -5.290 28.063 1.00 0.00 N ATOM 481 CA ALA A 70 48.871 -5.190 28.233 1.00 0.00 C ATOM 482 C ALA A 70 48.591 -4.558 29.588 1.00 0.00 C ATOM 483 O ALA A 70 49.412 -3.799 30.098 1.00 0.00 O ATOM 484 CB ALA A 70 48.254 -6.583 28.150 1.00 0.00 C ATOM 0 H ALA A 70 50.687 -6.213 28.272 1.00 0.00 H new ATOM 0 HA ALA A 70 48.433 -4.572 27.449 1.00 0.00 H new ATOM 0 HB1 ALA A 70 47.174 -6.511 28.278 1.00 0.00 H new ATOM 0 HB2 ALA A 70 48.476 -7.022 27.177 1.00 0.00 H new ATOM 0 HB3 ALA A 70 48.671 -7.213 28.936 1.00 0.00 H new ATOM 487 N LYS A 71 47.439 -4.880 30.182 1.00 0.00 N ATOM 488 CA LYS A 71 47.084 -4.342 31.479 1.00 0.00 C ATOM 489 C LYS A 71 45.694 -4.804 31.891 1.00 0.00 C ATOM 490 O LYS A 71 44.982 -4.083 32.587 1.00 0.00 O ATOM 491 CB LYS A 71 47.154 -2.818 31.436 1.00 0.00 C ATOM 0 H LYS A 71 46.744 -5.509 29.780 1.00 0.00 H new ATOM 0 HA LYS A 71 47.792 -4.710 32.222 1.00 0.00 H new ATOM 494 N ALA A 72 45.301 -6.004 31.457 1.00 0.00 N ATOM 495 CA ALA A 72 44.004 -6.550 31.800 1.00 0.00 C ATOM 496 C ALA A 72 43.901 -6.670 33.314 1.00 0.00 C ATOM 497 O ALA A 72 42.823 -6.506 33.880 1.00 0.00 O ATOM 498 CB ALA A 72 43.844 -7.917 31.142 1.00 0.00 C ATOM 0 H ALA A 72 45.870 -6.610 30.867 1.00 0.00 H new ATOM 0 HA ALA A 72 43.211 -5.894 31.442 1.00 0.00 H new ATOM 0 HB1 ALA A 72 42.869 -8.332 31.397 1.00 0.00 H new ATOM 0 HB2 ALA A 72 43.921 -7.811 30.060 1.00 0.00 H new ATOM 0 HB3 ALA A 72 44.628 -8.586 31.498 1.00 0.00 H new ATOM 501 N ALA A 73 45.035 -6.954 33.959 1.00 0.00 N ATOM 502 CA ALA A 73 45.110 -7.129 35.396 1.00 0.00 C ATOM 503 C ALA A 73 44.383 -6.054 36.194 1.00 0.00 C ATOM 504 O ALA A 73 43.399 -6.375 36.858 1.00 0.00 O ATOM 505 CB ALA A 73 46.576 -7.198 35.815 1.00 0.00 C ATOM 0 H ALA A 73 45.931 -7.068 33.486 1.00 0.00 H new ATOM 0 HA ALA A 73 44.595 -8.062 35.626 1.00 0.00 H new ATOM 0 HB1 ALA A 73 46.640 -7.330 36.895 1.00 0.00 H new ATOM 0 HB2 ALA A 73 47.057 -8.040 35.318 1.00 0.00 H new ATOM 0 HB3 ALA A 73 47.079 -6.274 35.532 1.00 0.00 H new ATOM 508 N ILE A 74 44.865 -4.805 36.108 1.00 0.00 N ATOM 509 CA ILE A 74 44.320 -3.685 36.867 1.00 0.00 C ATOM 510 C ILE A 74 45.387 -2.619 37.082 1.00 0.00 C ATOM 511 O ILE A 74 46.345 -2.529 36.316 1.00 0.00 O ATOM 512 CB ILE A 74 43.835 -4.134 38.245 1.00 0.00 C ATOM 0 H ILE A 74 45.647 -4.549 35.505 1.00 0.00 H new ATOM 0 HA ILE A 74 43.485 -3.286 36.291 1.00 0.00 H new ATOM 515 N TRP A 75 45.200 -1.833 38.149 1.00 0.00 N ATOM 516 CA TRP A 75 46.107 -0.776 38.556 1.00 0.00 C ATOM 517 C TRP A 75 46.194 -0.855 40.071 1.00 0.00 C ATOM 518 O TRP A 75 46.390 -1.941 40.613 1.00 0.00 O ATOM 519 CB TRP A 75 45.558 0.575 38.106 1.00 0.00 C ATOM 0 H TRP A 75 44.390 -1.924 38.763 1.00 0.00 H new ATOM 0 HA TRP A 75 47.094 -0.888 38.107 1.00 0.00 H new ATOM 522 N ALA A 76 46.033 0.270 40.772 1.00 0.00 N ATOM 523 CA ALA A 76 46.072 0.260 42.218 1.00 0.00 C ATOM 524 C ALA A 76 44.901 -0.564 42.733 1.00 0.00 C ATOM 525 O ALA A 76 45.097 -1.578 43.398 1.00 0.00 O ATOM 526 CB ALA A 76 46.006 1.692 42.743 1.00 0.00 C ATOM 0 H ALA A 76 45.876 1.188 40.356 1.00 0.00 H new ATOM 0 HA ALA A 76 47.002 -0.187 42.569 1.00 0.00 H new ATOM 0 HB1 ALA A 76 46.036 1.682 43.833 1.00 0.00 H new ATOM 0 HB2 ALA A 76 46.856 2.259 42.362 1.00 0.00 H new ATOM 0 HB3 ALA A 76 45.080 2.159 42.410 1.00 0.00 H new ATOM 529 N ASN A 77 43.680 -0.127 42.417 1.00 0.00 N ATOM 530 CA ASN A 77 42.484 -0.829 42.837 1.00 0.00 C ATOM 531 C ASN A 77 41.278 -0.275 42.092 1.00 0.00 C ATOM 532 O ASN A 77 41.356 0.812 41.525 1.00 0.00 O ATOM 533 CB ASN A 77 42.307 -0.677 44.345 1.00 0.00 C ATOM 0 H ASN A 77 43.502 0.715 41.869 1.00 0.00 H new ATOM 0 HA ASN A 77 42.577 -1.890 42.603 1.00 0.00 H new ATOM 536 N MET A 78 40.186 -1.047 42.086 1.00 0.00 N ATOM 537 CA MET A 78 38.949 -0.667 41.423 1.00 0.00 C ATOM 538 C MET A 78 38.579 0.779 41.729 1.00 0.00 C ATOM 539 O MET A 78 38.034 1.476 40.875 1.00 0.00 O ATOM 540 CB MET A 78 37.833 -1.609 41.866 1.00 0.00 C ATOM 0 H MET A 78 40.143 -1.957 42.545 1.00 0.00 H new ATOM 0 HA MET A 78 39.089 -0.747 40.345 1.00 0.00 H new ATOM 543 N ASP A 79 38.891 1.234 42.944 1.00 0.00 N ATOM 544 CA ASP A 79 38.600 2.596 43.346 1.00 0.00 C ATOM 545 C ASP A 79 39.456 3.561 42.536 1.00 0.00 C ATOM 546 O ASP A 79 38.930 4.464 41.889 1.00 0.00 O ATOM 547 CB ASP A 79 38.869 2.754 44.840 1.00 0.00 C ATOM 0 H ASP A 79 39.346 0.671 43.663 1.00 0.00 H new ATOM 0 HA ASP A 79 37.551 2.822 43.156 1.00 0.00 H new ATOM 550 N ASP A 80 40.776 3.362 42.576 1.00 0.00 N ATOM 551 CA ASP A 80 41.701 4.204 41.842 1.00 0.00 C ATOM 552 C ASP A 80 41.311 4.212 40.372 1.00 0.00 C ATOM 553 O ASP A 80 41.219 5.272 39.754 1.00 0.00 O ATOM 554 CB ASP A 80 43.123 3.682 42.027 1.00 0.00 C ATOM 0 H ASP A 80 41.222 2.619 43.114 1.00 0.00 H new ATOM 0 HA ASP A 80 41.659 5.226 42.220 1.00 0.00 H new ATOM 557 N PHE A 81 41.077 3.019 39.821 1.00 0.00 N ATOM 558 CA PHE A 81 40.676 2.879 38.438 1.00 0.00 C ATOM 559 C PHE A 81 39.426 3.715 38.213 1.00 0.00 C ATOM 560 O PHE A 81 39.357 4.479 37.253 1.00 0.00 O ATOM 561 CB PHE A 81 40.416 1.408 38.126 1.00 0.00 C ATOM 0 H PHE A 81 41.162 2.136 40.324 1.00 0.00 H new ATOM 0 HA PHE A 81 41.465 3.229 37.772 1.00 0.00 H new ATOM 564 N GLY A 82 38.443 3.570 39.107 1.00 0.00 N ATOM 565 CA GLY A 82 37.212 4.328 39.027 1.00 0.00 C ATOM 566 C GLY A 82 37.545 5.810 38.966 1.00 0.00 C ATOM 567 O GLY A 82 36.912 6.556 38.222 1.00 0.00 O ATOM 0 H GLY A 82 38.487 2.926 39.897 1.00 0.00 H new ATOM 0 HA2 GLY A 82 36.645 4.033 38.144 1.00 0.00 H new ATOM 0 HA3 GLY A 82 36.584 4.119 39.893 1.00 0.00 H new ATOM 571 N ALA A 83 38.548 6.230 39.742 1.00 0.00 N ATOM 572 CA ALA A 83 38.979 7.614 39.765 1.00 0.00 C ATOM 573 C ALA A 83 39.285 8.092 38.352 1.00 0.00 C ATOM 574 O ALA A 83 38.586 8.967 37.849 1.00 0.00 O ATOM 575 CB ALA A 83 40.209 7.748 40.659 1.00 0.00 C ATOM 0 H ALA A 83 39.075 5.618 40.365 1.00 0.00 H new ATOM 0 HA ALA A 83 38.180 8.237 40.168 1.00 0.00 H new ATOM 0 HB1 ALA A 83 40.534 8.788 40.677 1.00 0.00 H new ATOM 0 HB2 ALA A 83 39.960 7.428 41.671 1.00 0.00 H new ATOM 0 HB3 ALA A 83 41.012 7.124 40.268 1.00 0.00 H new ATOM 578 N LYS A 84 40.335 7.525 37.741 1.00 0.00 N ATOM 579 CA LYS A 84 40.749 7.879 36.386 1.00 0.00 C ATOM 580 C LYS A 84 39.544 7.958 35.457 1.00 0.00 C ATOM 581 O LYS A 84 39.499 8.785 34.552 1.00 0.00 O ATOM 582 CB LYS A 84 41.755 6.849 35.880 1.00 0.00 C ATOM 0 H LYS A 84 40.917 6.809 38.176 1.00 0.00 H new ATOM 0 HA LYS A 84 41.220 8.862 36.401 1.00 0.00 H new ATOM 585 N GLY A 85 38.591 7.066 35.713 1.00 0.00 N ATOM 586 CA GLY A 85 37.350 7.034 34.962 1.00 0.00 C ATOM 587 C GLY A 85 36.757 8.436 35.016 1.00 0.00 C ATOM 588 O GLY A 85 36.715 9.139 34.009 1.00 0.00 O ATOM 0 H GLY A 85 38.660 6.354 36.440 1.00 0.00 H new ATOM 0 HA2 GLY A 85 37.532 6.732 33.930 1.00 0.00 H new ATOM 0 HA3 GLY A 85 36.660 6.307 35.390 1.00 0.00 H new ATOM 592 N LYS A 86 36.312 8.817 36.215 1.00 0.00 N ATOM 593 CA LYS A 86 35.763 10.138 36.456 1.00 0.00 C ATOM 594 C LYS A 86 36.680 11.224 35.893 1.00 0.00 C ATOM 595 O LYS A 86 36.205 12.145 35.235 1.00 0.00 O ATOM 596 CB LYS A 86 35.562 10.333 37.956 1.00 0.00 C ATOM 0 H LYS A 86 36.325 8.216 37.039 1.00 0.00 H new ATOM 0 HA LYS A 86 34.803 10.220 35.947 1.00 0.00 H new ATOM 599 N ALA A 87 37.987 11.109 36.155 1.00 0.00 N ATOM 600 CA ALA A 87 38.962 12.086 35.695 1.00 0.00 C ATOM 601 C ALA A 87 38.825 12.331 34.199 1.00 0.00 C ATOM 602 O ALA A 87 38.702 13.474 33.757 1.00 0.00 O ATOM 603 CB ALA A 87 40.367 11.594 36.033 1.00 0.00 C ATOM 0 H ALA A 87 38.390 10.339 36.689 1.00 0.00 H new ATOM 0 HA ALA A 87 38.780 13.034 36.202 1.00 0.00 H new ATOM 0 HB1 ALA A 87 41.100 12.324 35.690 1.00 0.00 H new ATOM 0 HB2 ALA A 87 40.458 11.467 37.112 1.00 0.00 H new ATOM 0 HB3 ALA A 87 40.547 10.639 35.539 1.00 0.00 H new ATOM 606 N MET A 88 38.846 11.244 33.428 1.00 0.00 N ATOM 607 CA MET A 88 38.709 11.317 31.989 1.00 0.00 C ATOM 608 C MET A 88 37.414 12.052 31.692 1.00 0.00 C ATOM 609 O MET A 88 37.354 12.848 30.762 1.00 0.00 O ATOM 610 CB MET A 88 38.688 9.908 31.403 1.00 0.00 C ATOM 0 H MET A 88 38.958 10.297 33.789 1.00 0.00 H new ATOM 0 HA MET A 88 39.547 11.849 31.539 1.00 0.00 H new ATOM 613 N HIS A 89 36.389 11.781 32.503 1.00 0.00 N ATOM 614 CA HIS A 89 35.100 12.441 32.368 1.00 0.00 C ATOM 615 C HIS A 89 35.248 13.949 32.579 1.00 0.00 C ATOM 616 O HIS A 89 34.645 14.734 31.852 1.00 0.00 O ATOM 617 CB HIS A 89 34.122 11.851 33.380 1.00 0.00 C ATOM 0 H HIS A 89 36.433 11.103 33.264 1.00 0.00 H new ATOM 0 HA HIS A 89 34.715 12.277 31.362 1.00 0.00 H new ATOM 620 N GLU A 90 36.028 14.329 33.597 1.00 0.00 N ATOM 621 CA GLU A 90 36.279 15.739 33.888 1.00 0.00 C ATOM 622 C GLU A 90 36.716 16.450 32.606 1.00 0.00 C ATOM 623 O GLU A 90 36.265 17.550 32.294 1.00 0.00 O ATOM 624 CB GLU A 90 37.356 15.852 34.964 1.00 0.00 C ATOM 0 H GLU A 90 36.494 13.679 34.230 1.00 0.00 H new ATOM 0 HA GLU A 90 35.369 16.212 34.257 1.00 0.00 H new ATOM 627 N ALA A 91 37.590 15.767 31.870 1.00 0.00 N ATOM 628 CA ALA A 91 38.077 16.277 30.590 1.00 0.00 C ATOM 629 C ALA A 91 36.981 16.132 29.525 1.00 0.00 C ATOM 630 O ALA A 91 36.815 16.977 28.648 1.00 0.00 O ATOM 631 CB ALA A 91 39.332 15.510 30.190 1.00 0.00 C ATOM 0 H ALA A 91 37.975 14.861 32.137 1.00 0.00 H new ATOM 0 HA ALA A 91 38.327 17.334 30.680 1.00 0.00 H new ATOM 0 HB1 ALA A 91 39.700 15.886 29.235 1.00 0.00 H new ATOM 0 HB2 ALA A 91 40.099 15.644 30.953 1.00 0.00 H new ATOM 0 HB3 ALA A 91 39.096 14.450 30.095 1.00 0.00 H new ATOM 634 N GLY A 92 36.243 15.032 29.654 1.00 0.00 N ATOM 635 CA GLY A 92 35.149 14.700 28.763 1.00 0.00 C ATOM 636 C GLY A 92 34.174 15.869 28.678 1.00 0.00 C ATOM 637 O GLY A 92 34.015 16.478 27.621 1.00 0.00 O ATOM 0 H GLY A 92 36.394 14.343 30.390 1.00 0.00 H new ATOM 0 HA2 GLY A 92 35.535 14.465 27.771 1.00 0.00 H new ATOM 0 HA3 GLY A 92 34.633 13.810 29.123 1.00 0.00 H new ATOM 641 N GLY A 93 33.521 16.185 29.800 1.00 0.00 N ATOM 642 CA GLY A 93 32.563 17.267 29.861 1.00 0.00 C ATOM 643 C GLY A 93 33.263 18.601 29.653 1.00 0.00 C ATOM 644 O GLY A 93 32.715 19.490 29.005 1.00 0.00 O ATOM 0 H GLY A 93 33.649 15.693 30.684 1.00 0.00 H new ATOM 0 HA2 GLY A 93 31.797 17.127 29.098 1.00 0.00 H new ATOM 0 HA3 GLY A 93 32.057 17.260 30.826 1.00 0.00 H new ATOM 648 N ALA A 94 34.477 18.745 30.193 1.00 0.00 N ATOM 649 CA ALA A 94 35.238 19.968 30.053 1.00 0.00 C ATOM 650 C ALA A 94 35.439 20.289 28.579 1.00 0.00 C ATOM 651 O ALA A 94 35.366 21.450 28.184 1.00 0.00 O ATOM 652 CB ALA A 94 36.582 19.810 30.759 1.00 0.00 C ATOM 0 H ALA A 94 34.947 18.018 30.733 1.00 0.00 H new ATOM 0 HA ALA A 94 34.693 20.794 30.511 1.00 0.00 H new ATOM 0 HB1 ALA A 94 37.158 20.730 30.655 1.00 0.00 H new ATOM 0 HB2 ALA A 94 36.416 19.603 31.816 1.00 0.00 H new ATOM 0 HB3 ALA A 94 37.134 18.984 30.310 1.00 0.00 H new ATOM 655 N VAL A 95 35.684 19.261 27.760 1.00 0.00 N ATOM 656 CA VAL A 95 35.882 19.447 26.337 1.00 0.00 C ATOM 657 C VAL A 95 34.561 19.866 25.713 1.00 0.00 C ATOM 658 O VAL A 95 34.528 20.751 24.863 1.00 0.00 O ATOM 659 CB VAL A 95 36.387 18.146 25.720 1.00 0.00 C ATOM 0 H VAL A 95 35.748 18.291 28.069 1.00 0.00 H new ATOM 0 HA VAL A 95 36.625 20.223 26.153 1.00 0.00 H new ATOM 662 N ILE A 96 33.474 19.223 26.146 1.00 0.00 N ATOM 663 CA ILE A 96 32.151 19.552 25.648 1.00 0.00 C ATOM 664 C ILE A 96 31.898 21.035 25.893 1.00 0.00 C ATOM 665 O ILE A 96 31.488 21.764 24.990 1.00 0.00 O ATOM 666 CB ILE A 96 31.110 18.696 26.362 1.00 0.00 C ATOM 0 H ILE A 96 33.491 18.475 26.839 1.00 0.00 H new ATOM 0 HA ILE A 96 32.082 19.349 24.579 1.00 0.00 H new ATOM 669 N ALA A 97 32.164 21.475 27.124 1.00 0.00 N ATOM 670 CA ALA A 97 31.987 22.863 27.497 1.00 0.00 C ATOM 671 C ALA A 97 32.811 23.735 26.560 1.00 0.00 C ATOM 672 O ALA A 97 32.315 24.729 26.034 1.00 0.00 O ATOM 673 CB ALA A 97 32.424 23.060 28.946 1.00 0.00 C ATOM 0 H ALA A 97 32.505 20.879 27.878 1.00 0.00 H new ATOM 0 HA ALA A 97 30.938 23.146 27.413 1.00 0.00 H new ATOM 0 HB1 ALA A 97 32.291 24.105 29.227 1.00 0.00 H new ATOM 0 HB2 ALA A 97 31.819 22.429 29.597 1.00 0.00 H new ATOM 0 HB3 ALA A 97 33.474 22.787 29.050 1.00 0.00 H new ATOM 676 N ALA A 98 34.072 23.351 26.347 1.00 0.00 N ATOM 677 CA ALA A 98 34.963 24.085 25.472 1.00 0.00 C ATOM 678 C ALA A 98 34.382 24.129 24.065 1.00 0.00 C ATOM 679 O ALA A 98 34.508 25.141 23.378 1.00 0.00 O ATOM 680 CB ALA A 98 36.335 23.419 25.473 1.00 0.00 C ATOM 0 H ALA A 98 34.493 22.527 26.777 1.00 0.00 H new ATOM 0 HA ALA A 98 35.072 25.109 25.829 1.00 0.00 H new ATOM 0 HB1 ALA A 98 37.007 23.970 24.815 1.00 0.00 H new ATOM 0 HB2 ALA A 98 36.738 23.418 26.486 1.00 0.00 H new ATOM 0 HB3 ALA A 98 36.241 22.392 25.119 1.00 0.00 H new ATOM 683 N ALA A 99 33.749 23.029 23.648 1.00 0.00 N ATOM 684 CA ALA A 99 33.132 22.935 22.338 1.00 0.00 C ATOM 685 C ALA A 99 32.189 24.113 22.159 1.00 0.00 C ATOM 686 O ALA A 99 32.260 24.820 21.156 1.00 0.00 O ATOM 687 CB ALA A 99 32.380 21.613 22.222 1.00 0.00 C ATOM 0 H ALA A 99 33.654 22.185 24.213 1.00 0.00 H new ATOM 0 HA ALA A 99 33.891 22.964 21.556 1.00 0.00 H new ATOM 0 HB1 ALA A 99 31.917 21.543 21.238 1.00 0.00 H new ATOM 0 HB2 ALA A 99 33.077 20.785 22.355 1.00 0.00 H new ATOM 0 HB3 ALA A 99 31.608 21.565 22.990 1.00 0.00 H new ATOM 690 N ASN A 100 31.315 24.326 23.146 1.00 0.00 N ATOM 691 CA ASN A 100 30.390 25.443 23.116 1.00 0.00 C ATOM 692 C ASN A 100 31.184 26.732 22.945 1.00 0.00 C ATOM 693 O ASN A 100 32.393 26.748 23.171 1.00 0.00 O ATOM 694 CB ASN A 100 29.577 25.470 24.407 1.00 0.00 C ATOM 0 H ASN A 100 31.235 23.735 23.973 1.00 0.00 H new ATOM 0 HA ASN A 100 29.697 25.339 22.281 1.00 0.00 H new ATOM 697 N ALA A 101 30.515 27.813 22.538 1.00 0.00 N ATOM 698 CA ALA A 101 31.175 29.086 22.323 1.00 0.00 C ATOM 699 C ALA A 101 31.932 29.518 23.571 1.00 0.00 C ATOM 700 O ALA A 101 31.678 30.602 24.094 1.00 0.00 O ATOM 701 CB ALA A 101 30.137 30.134 21.933 1.00 0.00 C ATOM 0 H ALA A 101 29.512 27.824 22.352 1.00 0.00 H new ATOM 0 HA ALA A 101 31.899 28.981 21.515 1.00 0.00 H new ATOM 0 HB1 ALA A 101 30.631 31.092 21.771 1.00 0.00 H new ATOM 0 HB2 ALA A 101 29.634 29.825 21.016 1.00 0.00 H new ATOM 0 HB3 ALA A 101 29.403 30.235 22.733 1.00 0.00 H new ATOM 704 N GLY A 102 32.861 28.669 24.029 1.00 0.00 N ATOM 705 CA GLY A 102 33.676 28.932 25.203 1.00 0.00 C ATOM 706 C GLY A 102 35.054 29.417 24.775 1.00 0.00 C ATOM 707 O GLY A 102 35.222 30.590 24.450 1.00 0.00 O ATOM 0 H GLY A 102 33.063 27.774 23.584 1.00 0.00 H new ATOM 0 HA2 GLY A 102 33.195 29.682 25.831 1.00 0.00 H new ATOM 0 HA3 GLY A 102 33.769 28.027 25.803 1.00 0.00 H new ATOM 711 N ASP A 103 36.034 28.506 24.794 1.00 0.00 N ATOM 712 CA ASP A 103 37.399 28.828 24.411 1.00 0.00 C ATOM 713 C ASP A 103 38.134 27.601 23.888 1.00 0.00 C ATOM 714 O ASP A 103 38.170 26.556 24.538 1.00 0.00 O ATOM 715 CB ASP A 103 38.132 29.424 25.609 1.00 0.00 C ATOM 0 H ASP A 103 35.897 27.535 25.074 1.00 0.00 H new ATOM 0 HA ASP A 103 37.371 29.558 23.602 1.00 0.00 H new ATOM 718 N GLY A 104 38.727 27.736 22.699 1.00 0.00 N ATOM 719 CA GLY A 104 39.478 26.662 22.083 1.00 0.00 C ATOM 720 C GLY A 104 40.697 26.318 22.930 1.00 0.00 C ATOM 721 O GLY A 104 41.295 25.258 22.749 1.00 0.00 O ATOM 0 H GLY A 104 38.695 28.592 22.146 1.00 0.00 H new ATOM 0 HA2 GLY A 104 38.844 25.783 21.972 1.00 0.00 H new ATOM 0 HA3 GLY A 104 39.793 26.957 21.082 1.00 0.00 H new ATOM 725 N ALA A 105 41.064 27.205 23.860 1.00 0.00 N ATOM 726 CA ALA A 105 42.184 26.986 24.752 1.00 0.00 C ATOM 727 C ALA A 105 41.676 26.085 25.870 1.00 0.00 C ATOM 728 O ALA A 105 42.431 25.315 26.459 1.00 0.00 O ATOM 729 CB ALA A 105 42.667 28.324 25.304 1.00 0.00 C ATOM 0 H ALA A 105 40.586 28.094 24.008 1.00 0.00 H new ATOM 0 HA ALA A 105 43.026 26.521 24.240 1.00 0.00 H new ATOM 0 HB1 ALA A 105 43.510 28.158 25.975 1.00 0.00 H new ATOM 0 HB2 ALA A 105 42.980 28.966 24.480 1.00 0.00 H new ATOM 0 HB3 ALA A 105 41.857 28.806 25.851 1.00 0.00 H new ATOM 732 N ALA A 106 40.373 26.205 26.148 1.00 0.00 N ATOM 733 CA ALA A 106 39.720 25.424 27.173 1.00 0.00 C ATOM 734 C ALA A 106 39.573 23.997 26.674 1.00 0.00 C ATOM 735 O ALA A 106 39.703 23.054 27.452 1.00 0.00 O ATOM 736 CB ALA A 106 38.356 26.034 27.485 1.00 0.00 C ATOM 0 H ALA A 106 39.752 26.851 25.661 1.00 0.00 H new ATOM 0 HA ALA A 106 40.311 25.423 28.089 1.00 0.00 H new ATOM 0 HB1 ALA A 106 37.862 25.445 28.258 1.00 0.00 H new ATOM 0 HB2 ALA A 106 38.487 27.058 27.836 1.00 0.00 H new ATOM 0 HB3 ALA A 106 37.743 26.035 26.584 1.00 0.00 H new ATOM 739 N PHE A 107 39.315 23.836 25.372 1.00 0.00 N ATOM 740 CA PHE A 107 39.165 22.527 24.766 1.00 0.00 C ATOM 741 C PHE A 107 40.535 21.917 24.498 1.00 0.00 C ATOM 742 O PHE A 107 40.671 20.696 24.460 1.00 0.00 O ATOM 743 CB PHE A 107 38.380 22.663 23.464 1.00 0.00 C ATOM 0 H PHE A 107 39.206 24.612 24.719 1.00 0.00 H new ATOM 0 HA PHE A 107 38.622 21.870 25.445 1.00 0.00 H new ATOM 746 N GLY A 108 41.550 22.767 24.314 1.00 0.00 N ATOM 747 CA GLY A 108 42.903 22.306 24.058 1.00 0.00 C ATOM 748 C GLY A 108 43.559 21.888 25.368 1.00 0.00 C ATOM 749 O GLY A 108 44.115 20.794 25.475 1.00 0.00 O ATOM 0 H GLY A 108 41.451 23.782 24.339 1.00 0.00 H new ATOM 0 HA2 GLY A 108 42.886 21.466 23.364 1.00 0.00 H new ATOM 0 HA3 GLY A 108 43.484 23.098 23.585 1.00 0.00 H new ATOM 753 N ALA A 109 43.466 22.753 26.379 1.00 0.00 N ATOM 754 CA ALA A 109 44.040 22.471 27.677 1.00 0.00 C ATOM 755 C ALA A 109 43.151 21.421 28.318 1.00 0.00 C ATOM 756 O ALA A 109 43.625 20.531 29.021 1.00 0.00 O ATOM 757 CB ALA A 109 44.077 23.747 28.513 1.00 0.00 C ATOM 0 H ALA A 109 42.995 23.655 26.314 1.00 0.00 H new ATOM 0 HA ALA A 109 45.065 22.108 27.599 1.00 0.00 H new ATOM 0 HB1 ALA A 109 44.510 23.530 29.489 1.00 0.00 H new ATOM 0 HB2 ALA A 109 44.684 24.497 28.006 1.00 0.00 H new ATOM 0 HB3 ALA A 109 43.064 24.127 28.642 1.00 0.00 H new ATOM 760 N ALA A 110 41.851 21.529 28.041 1.00 0.00 N ATOM 761 CA ALA A 110 40.878 20.587 28.545 1.00 0.00 C ATOM 762 C ALA A 110 41.177 19.215 27.958 1.00 0.00 C ATOM 763 O ALA A 110 41.340 18.244 28.696 1.00 0.00 O ATOM 764 CB ALA A 110 39.475 21.049 28.160 1.00 0.00 C ATOM 0 H ALA A 110 41.455 22.271 27.464 1.00 0.00 H new ATOM 0 HA ALA A 110 40.932 20.529 29.632 1.00 0.00 H new ATOM 0 HB1 ALA A 110 38.741 20.339 28.540 1.00 0.00 H new ATOM 0 HB2 ALA A 110 39.285 22.032 28.590 1.00 0.00 H new ATOM 0 HB3 ALA A 110 39.396 21.107 27.074 1.00 0.00 H new ATOM 767 N LEU A 111 41.264 19.124 26.627 1.00 0.00 N ATOM 768 CA LEU A 111 41.533 17.880 25.945 1.00 0.00 C ATOM 769 C LEU A 111 42.876 17.301 26.354 1.00 0.00 C ATOM 770 O LEU A 111 43.051 16.086 26.298 1.00 0.00 O ATOM 771 CB LEU A 111 41.491 18.116 24.438 1.00 0.00 C ATOM 0 H LEU A 111 41.147 19.921 26.001 1.00 0.00 H new ATOM 0 HA LEU A 111 40.768 17.156 26.226 1.00 0.00 H new ATOM 774 N GLN A 112 43.832 18.138 26.772 1.00 0.00 N ATOM 775 CA GLN A 112 45.127 17.655 27.203 1.00 0.00 C ATOM 776 C GLN A 112 44.933 17.044 28.580 1.00 0.00 C ATOM 777 O GLN A 112 45.609 16.084 28.941 1.00 0.00 O ATOM 778 CB GLN A 112 46.114 18.818 27.255 1.00 0.00 C ATOM 0 H GLN A 112 43.723 19.151 26.817 1.00 0.00 H new ATOM 0 HA GLN A 112 45.529 16.912 26.514 1.00 0.00 H new ATOM 781 N LYS A 113 43.983 17.597 29.339 1.00 0.00 N ATOM 782 CA LYS A 113 43.664 17.080 30.651 1.00 0.00 C ATOM 783 C LYS A 113 43.233 15.639 30.443 1.00 0.00 C ATOM 784 O LYS A 113 43.618 14.748 31.197 1.00 0.00 O ATOM 785 CB LYS A 113 42.541 17.907 31.271 1.00 0.00 C ATOM 0 H LYS A 113 43.426 18.404 29.057 1.00 0.00 H new ATOM 0 HA LYS A 113 44.515 17.133 31.330 1.00 0.00 H new ATOM 788 N LEU A 114 42.443 15.419 29.388 1.00 0.00 N ATOM 789 CA LEU A 114 41.985 14.091 29.034 1.00 0.00 C ATOM 790 C LEU A 114 43.150 13.318 28.431 1.00 0.00 C ATOM 791 O LEU A 114 43.203 12.094 28.523 1.00 0.00 O ATOM 792 CB LEU A 114 40.849 14.198 28.021 1.00 0.00 C ATOM 0 H LEU A 114 42.110 16.156 28.766 1.00 0.00 H new ATOM 0 HA LEU A 114 41.619 13.571 29.919 1.00 0.00 H new ATOM 795 N GLY A 115 44.089 14.046 27.820 1.00 0.00 N ATOM 796 CA GLY A 115 45.247 13.439 27.196 1.00 0.00 C ATOM 797 C GLY A 115 46.113 12.747 28.238 1.00 0.00 C ATOM 798 O GLY A 115 46.427 11.566 28.099 1.00 0.00 O ATOM 0 H GLY A 115 44.060 15.063 27.749 1.00 0.00 H new ATOM 0 HA2 GLY A 115 44.926 12.718 26.444 1.00 0.00 H new ATOM 0 HA3 GLY A 115 45.830 14.201 26.678 1.00 0.00 H new ATOM 802 N GLY A 116 46.498 13.479 29.287 1.00 0.00 N ATOM 803 CA GLY A 116 47.331 12.934 30.339 1.00 0.00 C ATOM 804 C GLY A 116 46.503 12.071 31.282 1.00 0.00 C ATOM 805 O GLY A 116 47.049 11.233 31.996 1.00 0.00 O ATOM 0 H GLY A 116 46.239 14.456 29.422 1.00 0.00 H new ATOM 0 HA2 GLY A 116 48.134 12.340 29.904 1.00 0.00 H new ATOM 0 HA3 GLY A 116 47.800 13.745 30.896 1.00 0.00 H new ATOM 809 N THR A 117 45.183 12.269 31.279 1.00 0.00 N ATOM 810 CA THR A 117 44.296 11.504 32.132 1.00 0.00 C ATOM 811 C THR A 117 44.275 10.057 31.662 1.00 0.00 C ATOM 812 O THR A 117 44.628 9.150 32.414 1.00 0.00 O ATOM 813 CB THR A 117 42.896 12.111 32.087 1.00 0.00 C ATOM 0 H THR A 117 44.712 12.956 30.691 1.00 0.00 H new ATOM 0 HA THR A 117 44.650 11.532 33.162 1.00 0.00 H new ATOM 816 N CYS A 118 43.863 9.843 30.410 1.00 0.00 N ATOM 817 CA CYS A 118 43.809 8.512 29.841 1.00 0.00 C ATOM 818 C CYS A 118 45.211 7.918 29.833 1.00 0.00 C ATOM 819 O CYS A 118 45.405 6.769 30.225 1.00 0.00 O ATOM 820 CB CYS A 118 43.244 8.588 28.425 1.00 0.00 C ATOM 0 H CYS A 118 43.563 10.584 29.776 1.00 0.00 H new ATOM 0 HA CYS A 118 43.159 7.872 30.438 1.00 0.00 H new ATOM 823 N LYS A 119 46.190 8.713 29.394 1.00 0.00 N ATOM 824 CA LYS A 119 47.569 8.274 29.339 1.00 0.00 C ATOM 825 C LYS A 119 48.021 7.821 30.719 1.00 0.00 C ATOM 826 O LYS A 119 48.654 6.777 30.853 1.00 0.00 O ATOM 827 CB LYS A 119 48.444 9.417 28.833 1.00 0.00 C ATOM 0 H LYS A 119 46.042 9.669 29.071 1.00 0.00 H new ATOM 0 HA LYS A 119 47.660 7.431 28.654 1.00 0.00 H new ATOM 830 N ALA A 120 47.690 8.606 31.747 1.00 0.00 N ATOM 831 CA ALA A 120 48.060 8.280 33.111 1.00 0.00 C ATOM 832 C ALA A 120 47.554 6.890 33.468 1.00 0.00 C ATOM 833 O ALA A 120 48.275 6.100 34.075 1.00 0.00 O ATOM 834 CB ALA A 120 47.477 9.325 34.057 1.00 0.00 C ATOM 0 H ALA A 120 47.164 9.474 31.651 1.00 0.00 H new ATOM 0 HA ALA A 120 49.146 8.284 33.207 1.00 0.00 H new ATOM 0 HB1 ALA A 120 47.754 9.082 35.083 1.00 0.00 H new ATOM 0 HB2 ALA A 120 47.869 10.309 33.799 1.00 0.00 H new ATOM 0 HB3 ALA A 120 46.391 9.332 33.966 1.00 0.00 H new ATOM 837 N CYS A 121 46.311 6.590 33.082 1.00 0.00 N ATOM 838 CA CYS A 121 45.708 5.302 33.363 1.00 0.00 C ATOM 839 C CYS A 121 46.566 4.179 32.794 1.00 0.00 C ATOM 840 O CYS A 121 46.918 3.243 33.509 1.00 0.00 O ATOM 841 CB CYS A 121 44.304 5.261 32.766 1.00 0.00 C ATOM 0 H CYS A 121 45.706 7.233 32.571 1.00 0.00 H new ATOM 0 HA CYS A 121 45.641 5.162 34.442 1.00 0.00 H new ATOM 844 N HIS A 122 46.902 4.273 31.505 1.00 0.00 N ATOM 845 CA HIS A 122 47.709 3.262 30.849 1.00 0.00 C ATOM 846 C HIS A 122 49.108 3.238 31.449 1.00 0.00 C ATOM 847 O HIS A 122 49.531 2.218 31.990 1.00 0.00 O ATOM 848 CB HIS A 122 47.768 3.555 29.352 1.00 0.00 C ATOM 0 H HIS A 122 46.622 5.045 30.900 1.00 0.00 H new ATOM 0 HA HIS A 122 47.258 2.281 31.000 1.00 0.00 H new ATOM 851 N ASP A 123 49.819 4.364 31.331 1.00 0.00 N ATOM 852 CA ASP A 123 51.166 4.504 31.856 1.00 0.00 C ATOM 853 C ASP A 123 51.231 4.024 33.300 1.00 0.00 C ATOM 854 O ASP A 123 52.281 3.584 33.762 1.00 0.00 O ATOM 855 CB ASP A 123 51.595 5.965 31.759 1.00 0.00 C ATOM 0 H ASP A 123 49.469 5.202 30.866 1.00 0.00 H new ATOM 0 HA ASP A 123 51.846 3.889 31.267 1.00 0.00 H new ATOM 858 N ASP A 124 50.101 4.097 34.006 1.00 0.00 N ATOM 859 CA ASP A 124 50.033 3.657 35.385 1.00 0.00 C ATOM 860 C ASP A 124 50.118 2.138 35.431 1.00 0.00 C ATOM 861 O ASP A 124 50.960 1.583 36.134 1.00 0.00 O ATOM 862 CB ASP A 124 48.731 4.148 36.011 1.00 0.00 C ATOM 0 H ASP A 124 49.222 4.459 33.636 1.00 0.00 H new ATOM 0 HA ASP A 124 50.866 4.071 35.953 1.00 0.00 H new ATOM 865 N TYR A 125 49.247 1.470 34.671 1.00 0.00 N ATOM 866 CA TYR A 125 49.224 0.021 34.619 1.00 0.00 C ATOM 867 C TYR A 125 50.359 -0.480 33.738 1.00 0.00 C ATOM 868 O TYR A 125 51.159 -1.310 34.168 1.00 0.00 O ATOM 869 CB TYR A 125 47.876 -0.443 34.074 1.00 0.00 C ATOM 0 H TYR A 125 48.547 1.921 34.082 1.00 0.00 H new ATOM 0 HA TYR A 125 49.359 -0.386 35.621 1.00 0.00 H new ATOM 872 N ARG A 126 50.427 0.027 32.505 1.00 0.00 N ATOM 873 CA ARG A 126 51.457 -0.367 31.564 1.00 0.00 C ATOM 874 C ARG A 126 51.583 0.683 30.469 1.00 0.00 C ATOM 875 O ARG A 126 50.835 1.659 30.453 1.00 0.00 O ATOM 876 CB ARG A 126 51.108 -1.728 30.969 1.00 0.00 C ATOM 0 H ARG A 126 49.770 0.717 32.140 1.00 0.00 H new ATOM 0 HA ARG A 126 52.415 -0.445 32.079 1.00 0.00 H new ATOM 879 N GLU A 127 52.532 0.481 29.552 1.00 0.00 N ATOM 880 CA GLU A 127 52.757 1.410 28.463 1.00 0.00 C ATOM 881 C GLU A 127 53.746 0.813 27.472 1.00 0.00 C ATOM 882 O GLU A 127 54.924 1.162 27.484 1.00 0.00 O ATOM 883 CB GLU A 127 53.284 2.728 29.023 1.00 0.00 C ATOM 0 H GLU A 127 53.156 -0.326 29.550 1.00 0.00 H new ATOM 0 HA GLU A 127 51.819 1.599 27.941 1.00 0.00 H new ATOM 886 N GLU A 128 53.259 -0.084 26.610 1.00 0.00 N ATOM 887 CA GLU A 128 54.092 -0.729 25.614 1.00 0.00 C ATOM 888 C GLU A 128 53.222 -1.278 24.492 1.00 0.00 C ATOM 889 O GLU A 128 53.473 -1.006 23.321 1.00 0.00 O ATOM 890 CB GLU A 128 54.895 -1.847 26.273 1.00 0.00 C ATOM 0 H GLU A 128 52.282 -0.376 26.590 1.00 0.00 H new ATOM 0 HA GLU A 128 54.785 -0.004 25.187 1.00 0.00 H new ATOM 893 N ASP A 129 52.195 -2.050 24.854 1.00 0.00 N ATOM 894 CA ASP A 129 51.295 -2.633 23.878 1.00 0.00 C ATOM 895 C ASP A 129 52.088 -3.462 22.878 1.00 0.00 C ATOM 896 O ASP A 129 52.275 -2.961 21.748 1.00 0.00 O ATOM 897 CB ASP A 129 50.524 -1.522 23.171 1.00 0.00 C ATOM 0 H ASP A 129 51.972 -2.282 25.822 1.00 0.00 H new ATOM 0 HA ASP A 129 50.582 -3.288 24.379 1.00 0.00 H new TER 900 ASP A 129 HETATM 901 FE HEM A 130 42.713 3.973 28.179 1.00 0.00 FE