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 33.295 -18.537 22.927 1.00 0.00 N ATOM 2 CA ALA A 1 32.179 -17.821 22.341 1.00 0.00 C ATOM 3 C ALA A 1 32.422 -16.324 22.467 1.00 0.00 C ATOM 4 O ALA A 1 31.643 -15.618 23.104 1.00 0.00 O ATOM 5 CB ALA A 1 32.033 -18.227 20.877 1.00 0.00 C ATOM 0 H1 ALA A 1 33.133 -19.561 22.843 1.00 0.00 H new ATOM 0 H2 ALA A 1 34.171 -18.283 22.428 1.00 0.00 H new ATOM 0 H3 ALA A 1 33.382 -18.282 23.931 1.00 0.00 H new ATOM 0 HA ALA A 1 31.255 -18.069 22.864 1.00 0.00 H new ATOM 0 HB1 ALA A 1 31.195 -17.691 20.433 1.00 0.00 H new ATOM 0 HB2 ALA A 1 32.948 -17.981 20.338 1.00 0.00 H new ATOM 0 HB3 ALA A 1 31.852 -19.300 20.813 1.00 0.00 H new ATOM 7 N ASP A 2 33.506 -15.840 21.856 1.00 0.00 N ATOM 8 CA ASP A 2 33.846 -14.432 21.902 1.00 0.00 C ATOM 9 C ASP A 2 34.247 -14.044 23.318 1.00 0.00 C ATOM 10 O ASP A 2 33.614 -13.188 23.932 1.00 0.00 O ATOM 11 CB ASP A 2 32.652 -13.606 21.432 1.00 0.00 C ATOM 0 H ASP A 2 34.161 -16.413 21.323 1.00 0.00 H new ATOM 0 HA ASP A 2 34.690 -14.236 21.241 1.00 0.00 H new ATOM 14 N THR A 3 35.301 -14.678 23.836 1.00 0.00 N ATOM 15 CA THR A 3 35.781 -14.399 25.174 1.00 0.00 C ATOM 16 C THR A 3 36.486 -13.050 25.201 1.00 0.00 C ATOM 17 O THR A 3 36.184 -12.207 26.043 1.00 0.00 O ATOM 18 CB THR A 3 36.727 -15.512 25.617 1.00 0.00 C ATOM 0 H THR A 3 35.835 -15.391 23.339 1.00 0.00 H new ATOM 0 HA THR A 3 34.938 -14.359 25.864 1.00 0.00 H new ATOM 21 N LYS A 4 37.425 -12.846 24.274 1.00 0.00 N ATOM 22 CA LYS A 4 38.165 -11.602 24.200 1.00 0.00 C ATOM 23 C LYS A 4 37.238 -10.480 23.754 1.00 0.00 C ATOM 24 O LYS A 4 37.691 -9.481 23.200 1.00 0.00 O ATOM 25 CB LYS A 4 39.333 -11.760 23.231 1.00 0.00 C ATOM 0 H LYS A 4 37.685 -13.533 23.567 1.00 0.00 H new ATOM 0 HA LYS A 4 38.562 -11.350 25.183 1.00 0.00 H new ATOM 28 N GLU A 5 35.935 -10.652 23.989 1.00 0.00 N ATOM 29 CA GLU A 5 34.948 -9.660 23.612 1.00 0.00 C ATOM 30 C GLU A 5 34.985 -8.494 24.589 1.00 0.00 C ATOM 31 O GLU A 5 34.933 -7.336 24.179 1.00 0.00 O ATOM 32 CB GLU A 5 33.565 -10.305 23.597 1.00 0.00 C ATOM 0 H GLU A 5 35.545 -11.478 24.443 1.00 0.00 H new ATOM 0 HA GLU A 5 35.172 -9.279 22.616 1.00 0.00 H new ATOM 35 N VAL A 6 35.082 -8.801 25.885 1.00 0.00 N ATOM 36 CA VAL A 6 35.120 -7.783 26.916 1.00 0.00 C ATOM 37 C VAL A 6 36.350 -6.905 26.742 1.00 0.00 C ATOM 38 O VAL A 6 36.268 -5.688 26.893 1.00 0.00 O ATOM 39 CB VAL A 6 35.121 -8.451 28.287 1.00 0.00 C ATOM 0 H VAL A 6 35.135 -9.756 26.238 1.00 0.00 H new ATOM 0 HA VAL A 6 34.238 -7.148 26.833 1.00 0.00 H new ATOM 42 N LEU A 7 37.490 -7.517 26.416 1.00 0.00 N ATOM 43 CA LEU A 7 38.720 -6.775 26.219 1.00 0.00 C ATOM 44 C LEU A 7 38.628 -5.998 24.915 1.00 0.00 C ATOM 45 O LEU A 7 38.876 -4.796 24.896 1.00 0.00 O ATOM 46 CB LEU A 7 39.901 -7.742 26.196 1.00 0.00 C ATOM 0 H LEU A 7 37.579 -8.525 26.285 1.00 0.00 H new ATOM 0 HA LEU A 7 38.870 -6.071 27.037 1.00 0.00 H new ATOM 49 N GLU A 8 38.276 -6.696 23.833 1.00 0.00 N ATOM 50 CA GLU A 8 38.135 -6.087 22.522 1.00 0.00 C ATOM 51 C GLU A 8 37.241 -4.856 22.591 1.00 0.00 C ATOM 52 O GLU A 8 37.575 -3.812 22.032 1.00 0.00 O ATOM 53 CB GLU A 8 37.567 -7.113 21.546 1.00 0.00 C ATOM 0 H GLU A 8 38.082 -7.697 23.848 1.00 0.00 H new ATOM 0 HA GLU A 8 39.115 -5.765 22.171 1.00 0.00 H new ATOM 56 N ALA A 9 36.106 -4.965 23.284 1.00 0.00 N ATOM 57 CA ALA A 9 35.197 -3.850 23.427 1.00 0.00 C ATOM 58 C ALA A 9 35.960 -2.749 24.135 1.00 0.00 C ATOM 59 O ALA A 9 35.896 -1.588 23.739 1.00 0.00 O ATOM 60 CB ALA A 9 33.972 -4.280 24.229 1.00 0.00 C ATOM 0 H ALA A 9 35.803 -5.819 23.752 1.00 0.00 H new ATOM 0 HA ALA A 9 34.840 -3.497 22.460 1.00 0.00 H new ATOM 0 HB1 ALA A 9 33.291 -3.436 24.333 1.00 0.00 H new ATOM 0 HB2 ALA A 9 33.465 -5.094 23.710 1.00 0.00 H new ATOM 0 HB3 ALA A 9 34.284 -4.618 25.217 1.00 0.00 H new ATOM 63 N ARG A 10 36.702 -3.124 25.179 1.00 0.00 N ATOM 64 CA ARG A 10 37.512 -2.179 25.914 1.00 0.00 C ATOM 65 C ARG A 10 38.514 -1.551 24.957 1.00 0.00 C ATOM 66 O ARG A 10 38.921 -0.406 25.147 1.00 0.00 O ATOM 67 CB ARG A 10 38.227 -2.900 27.053 1.00 0.00 C ATOM 0 H ARG A 10 36.752 -4.081 25.527 1.00 0.00 H new ATOM 0 HA ARG A 10 36.889 -1.395 26.344 1.00 0.00 H new ATOM 70 N GLU A 11 38.902 -2.289 23.911 1.00 0.00 N ATOM 71 CA GLU A 11 39.842 -1.771 22.939 1.00 0.00 C ATOM 72 C GLU A 11 39.166 -0.603 22.244 1.00 0.00 C ATOM 73 O GLU A 11 39.796 0.413 21.958 1.00 0.00 O ATOM 74 CB GLU A 11 40.210 -2.867 21.943 1.00 0.00 C ATOM 0 H GLU A 11 38.577 -3.238 23.726 1.00 0.00 H new ATOM 0 HA GLU A 11 40.765 -1.439 23.414 1.00 0.00 H new ATOM 77 N ALA A 12 37.865 -0.757 21.993 1.00 0.00 N ATOM 78 CA ALA A 12 37.071 0.273 21.351 1.00 0.00 C ATOM 79 C ALA A 12 37.003 1.479 22.278 1.00 0.00 C ATOM 80 O ALA A 12 37.135 2.618 21.835 1.00 0.00 O ATOM 81 CB ALA A 12 35.671 -0.270 21.076 1.00 0.00 C ATOM 0 H ALA A 12 37.340 -1.599 22.231 1.00 0.00 H new ATOM 0 HA ALA A 12 37.521 0.571 20.404 1.00 0.00 H new ATOM 0 HB1 ALA A 12 35.070 0.501 20.593 1.00 0.00 H new ATOM 0 HB2 ALA A 12 35.740 -1.139 20.422 1.00 0.00 H new ATOM 0 HB3 ALA A 12 35.202 -0.560 22.016 1.00 0.00 H new ATOM 84 N TYR A 13 36.806 1.215 23.572 1.00 0.00 N ATOM 85 CA TYR A 13 36.733 2.263 24.569 1.00 0.00 C ATOM 86 C TYR A 13 38.055 3.016 24.593 1.00 0.00 C ATOM 87 O TYR A 13 38.098 4.194 24.946 1.00 0.00 O ATOM 88 CB TYR A 13 36.434 1.649 25.933 1.00 0.00 C ATOM 0 H TYR A 13 36.694 0.273 23.947 1.00 0.00 H new ATOM 0 HA TYR A 13 35.933 2.961 24.324 1.00 0.00 H new ATOM 91 N PHE A 14 39.134 2.336 24.195 1.00 0.00 N ATOM 92 CA PHE A 14 40.449 2.940 24.155 1.00 0.00 C ATOM 93 C PHE A 14 40.515 3.831 22.924 1.00 0.00 C ATOM 94 O PHE A 14 41.171 4.870 22.935 1.00 0.00 O ATOM 95 CB PHE A 14 41.512 1.847 24.099 1.00 0.00 C ATOM 0 H PHE A 14 39.111 1.361 23.896 1.00 0.00 H new ATOM 0 HA PHE A 14 40.633 3.538 25.048 1.00 0.00 H new ATOM 98 N LYS A 15 39.814 3.419 21.865 1.00 0.00 N ATOM 99 CA LYS A 15 39.762 4.177 20.633 1.00 0.00 C ATOM 100 C LYS A 15 38.871 5.391 20.850 1.00 0.00 C ATOM 101 O LYS A 15 39.047 6.420 20.203 1.00 0.00 O ATOM 102 CB LYS A 15 39.215 3.294 19.515 1.00 0.00 C ATOM 0 H LYS A 15 39.273 2.555 21.846 1.00 0.00 H new ATOM 0 HA LYS A 15 40.759 4.511 20.346 1.00 0.00 H new ATOM 105 N SER A 16 37.912 5.265 21.771 1.00 0.00 N ATOM 106 CA SER A 16 37.010 6.353 22.090 1.00 0.00 C ATOM 107 C SER A 16 37.805 7.478 22.737 1.00 0.00 C ATOM 108 O SER A 16 37.929 8.560 22.168 1.00 0.00 O ATOM 109 CB SER A 16 35.914 5.850 23.026 1.00 0.00 C ATOM 0 H SER A 16 37.747 4.412 22.306 1.00 0.00 H new ATOM 0 HA SER A 16 36.537 6.731 21.184 1.00 0.00 H new ATOM 112 N LEU A 17 38.345 7.220 23.930 1.00 0.00 N ATOM 113 CA LEU A 17 39.137 8.205 24.640 1.00 0.00 C ATOM 114 C LEU A 17 40.386 8.524 23.832 1.00 0.00 C ATOM 115 O LEU A 17 40.916 9.631 23.902 1.00 0.00 O ATOM 116 CB LEU A 17 39.505 7.661 26.018 1.00 0.00 C ATOM 0 H LEU A 17 38.243 6.331 24.420 1.00 0.00 H new ATOM 0 HA LEU A 17 38.564 9.123 24.771 1.00 0.00 H new ATOM 119 N GLY A 18 40.841 7.548 23.045 1.00 0.00 N ATOM 120 CA GLY A 18 42.029 7.711 22.237 1.00 0.00 C ATOM 121 C GLY A 18 41.767 8.646 21.064 1.00 0.00 C ATOM 122 O GLY A 18 42.657 9.395 20.658 1.00 0.00 O ATOM 0 H GLY A 18 40.395 6.635 22.957 1.00 0.00 H new ATOM 0 HA2 GLY A 18 42.838 8.108 22.850 1.00 0.00 H new ATOM 0 HA3 GLY A 18 42.357 6.740 21.866 1.00 0.00 H new ATOM 126 N GLY A 19 40.543 8.641 20.529 1.00 0.00 N ATOM 127 CA GLY A 19 40.206 9.462 19.382 1.00 0.00 C ATOM 128 C GLY A 19 40.016 10.901 19.829 1.00 0.00 C ATOM 129 O GLY A 19 40.445 11.829 19.146 1.00 0.00 O ATOM 0 H GLY A 19 39.772 8.072 20.879 1.00 0.00 H new ATOM 0 HA2 GLY A 19 40.997 9.403 18.634 1.00 0.00 H new ATOM 0 HA3 GLY A 19 39.295 9.092 18.912 1.00 0.00 H new ATOM 133 N SER A 20 39.379 11.077 20.987 1.00 0.00 N ATOM 134 CA SER A 20 39.157 12.396 21.538 1.00 0.00 C ATOM 135 C SER A 20 40.512 13.071 21.699 1.00 0.00 C ATOM 136 O SER A 20 40.713 14.166 21.187 1.00 0.00 O ATOM 137 CB SER A 20 38.475 12.261 22.896 1.00 0.00 C ATOM 0 H SER A 20 39.010 10.315 21.556 1.00 0.00 H new ATOM 0 HA SER A 20 38.521 12.990 20.882 1.00 0.00 H new ATOM 140 N MET A 21 41.447 12.403 22.387 1.00 0.00 N ATOM 141 CA MET A 21 42.780 12.914 22.643 1.00 0.00 C ATOM 142 C MET A 21 43.529 13.309 21.373 1.00 0.00 C ATOM 143 O MET A 21 44.119 14.383 21.314 1.00 0.00 O ATOM 144 CB MET A 21 43.572 11.852 23.401 1.00 0.00 C ATOM 0 H MET A 21 41.285 11.477 22.784 1.00 0.00 H new ATOM 0 HA MET A 21 42.676 13.824 23.233 1.00 0.00 H new ATOM 147 N LYS A 22 43.525 12.431 20.367 1.00 0.00 N ATOM 148 CA LYS A 22 44.233 12.694 19.124 1.00 0.00 C ATOM 149 C LYS A 22 43.637 13.904 18.411 1.00 0.00 C ATOM 150 O LYS A 22 44.311 14.910 18.200 1.00 0.00 O ATOM 151 CB LYS A 22 44.168 11.460 18.230 1.00 0.00 C ATOM 0 H LYS A 22 43.039 11.535 20.394 1.00 0.00 H new ATOM 0 HA LYS A 22 45.276 12.917 19.349 1.00 0.00 H new ATOM 154 N ALA A 23 42.364 13.782 18.043 1.00 0.00 N ATOM 155 CA ALA A 23 41.664 14.852 17.353 1.00 0.00 C ATOM 156 C ALA A 23 41.673 16.138 18.190 1.00 0.00 C ATOM 157 O ALA A 23 41.544 17.235 17.652 1.00 0.00 O ATOM 158 CB ALA A 23 40.250 14.387 17.036 1.00 0.00 C ATOM 0 H ALA A 23 41.799 12.950 18.213 1.00 0.00 H new ATOM 0 HA ALA A 23 42.172 15.087 16.418 1.00 0.00 H new ATOM 0 HB1 ALA A 23 39.713 15.182 16.518 1.00 0.00 H new ATOM 0 HB2 ALA A 23 40.292 13.503 16.400 1.00 0.00 H new ATOM 0 HB3 ALA A 23 39.731 14.143 17.963 1.00 0.00 H new ATOM 161 N MET A 24 41.848 15.974 19.504 1.00 0.00 N ATOM 162 CA MET A 24 41.887 17.108 20.418 1.00 0.00 C ATOM 163 C MET A 24 43.250 17.783 20.364 1.00 0.00 C ATOM 164 O MET A 24 43.337 19.004 20.259 1.00 0.00 O ATOM 165 CB MET A 24 41.589 16.672 21.849 1.00 0.00 C ATOM 0 H MET A 24 41.964 15.066 19.954 1.00 0.00 H new ATOM 0 HA MET A 24 41.119 17.815 20.104 1.00 0.00 H new ATOM 168 N THR A 25 44.312 16.980 20.439 1.00 0.00 N ATOM 169 CA THR A 25 45.670 17.486 20.439 1.00 0.00 C ATOM 170 C THR A 25 46.061 18.041 19.077 1.00 0.00 C ATOM 171 O THR A 25 46.835 18.993 19.003 1.00 0.00 O ATOM 172 CB THR A 25 46.619 16.365 20.852 1.00 0.00 C ATOM 0 H THR A 25 44.247 15.964 20.501 1.00 0.00 H new ATOM 0 HA THR A 25 45.736 18.308 21.152 1.00 0.00 H new ATOM 175 N GLY A 26 45.529 17.460 17.998 1.00 0.00 N ATOM 176 CA GLY A 26 45.842 17.897 16.650 1.00 0.00 C ATOM 177 C GLY A 26 45.020 19.130 16.303 1.00 0.00 C ATOM 178 O GLY A 26 45.565 20.155 15.905 1.00 0.00 O ATOM 0 H GLY A 26 44.874 16.679 18.042 1.00 0.00 H new ATOM 0 HA2 GLY A 26 46.905 18.123 16.569 1.00 0.00 H new ATOM 0 HA3 GLY A 26 45.631 17.097 15.940 1.00 0.00 H new ATOM 182 N VAL A 27 43.699 19.014 16.454 1.00 0.00 N ATOM 183 CA VAL A 27 42.810 20.123 16.169 1.00 0.00 C ATOM 184 C VAL A 27 43.199 21.290 17.065 1.00 0.00 C ATOM 185 O VAL A 27 43.287 22.428 16.610 1.00 0.00 O ATOM 186 CB VAL A 27 41.360 19.713 16.404 1.00 0.00 C ATOM 0 H VAL A 27 43.231 18.165 16.771 1.00 0.00 H new ATOM 0 HA VAL A 27 42.901 20.420 15.124 1.00 0.00 H new ATOM 189 N ALA A 28 43.445 20.992 18.342 1.00 0.00 N ATOM 190 CA ALA A 28 43.832 21.997 19.311 1.00 0.00 C ATOM 191 C ALA A 28 45.188 22.592 18.954 1.00 0.00 C ATOM 192 O ALA A 28 45.415 23.780 19.169 1.00 0.00 O ATOM 193 CB ALA A 28 43.873 21.366 20.700 1.00 0.00 C ATOM 0 H ALA A 28 43.380 20.049 18.724 1.00 0.00 H new ATOM 0 HA ALA A 28 43.100 22.804 19.303 1.00 0.00 H new ATOM 0 HB1 ALA A 28 44.164 22.118 21.433 1.00 0.00 H new ATOM 0 HB2 ALA A 28 42.887 20.976 20.952 1.00 0.00 H new ATOM 0 HB3 ALA A 28 44.598 20.552 20.709 1.00 0.00 H new ATOM 196 N LYS A 29 46.089 21.772 18.403 1.00 0.00 N ATOM 197 CA LYS A 29 47.416 22.223 18.028 1.00 0.00 C ATOM 198 C LYS A 29 47.360 22.982 16.709 1.00 0.00 C ATOM 199 O LYS A 29 48.257 23.766 16.405 1.00 0.00 O ATOM 200 CB LYS A 29 48.338 21.013 17.907 1.00 0.00 C ATOM 0 H LYS A 29 45.913 20.786 18.209 1.00 0.00 H new ATOM 0 HA LYS A 29 47.803 22.897 18.793 1.00 0.00 H new ATOM 203 N ALA A 30 46.304 22.748 15.927 1.00 0.00 N ATOM 204 CA ALA A 30 46.131 23.400 14.645 1.00 0.00 C ATOM 205 C ALA A 30 45.818 24.875 14.856 1.00 0.00 C ATOM 206 O ALA A 30 46.438 25.528 15.693 1.00 0.00 O ATOM 207 CB ALA A 30 45.017 22.698 13.874 1.00 0.00 C ATOM 0 H ALA A 30 45.553 22.103 16.171 1.00 0.00 H new ATOM 0 HA ALA A 30 47.049 23.334 14.062 1.00 0.00 H new ATOM 0 HB1 ALA A 30 44.881 23.184 12.908 1.00 0.00 H new ATOM 0 HB2 ALA A 30 45.284 21.652 13.720 1.00 0.00 H new ATOM 0 HB3 ALA A 30 44.089 22.756 14.443 1.00 0.00 H new ATOM 210 N PHE A 31 44.851 25.405 14.102 1.00 0.00 N ATOM 211 CA PHE A 31 44.473 26.799 14.215 1.00 0.00 C ATOM 212 C PHE A 31 43.365 27.108 13.219 1.00 0.00 C ATOM 213 O PHE A 31 43.637 27.377 12.051 1.00 0.00 O ATOM 214 CB PHE A 31 45.694 27.677 13.955 1.00 0.00 C ATOM 0 H PHE A 31 44.320 24.880 13.407 1.00 0.00 H new ATOM 0 HA PHE A 31 44.103 27.004 15.220 1.00 0.00 H new ATOM 217 N ASP A 32 42.115 27.076 13.684 1.00 0.00 N ATOM 218 CA ASP A 32 40.979 27.354 12.828 1.00 0.00 C ATOM 219 C ASP A 32 39.689 27.340 13.635 1.00 0.00 C ATOM 220 O ASP A 32 39.304 28.365 14.195 1.00 0.00 O ATOM 221 CB ASP A 32 40.925 26.322 11.705 1.00 0.00 C ATOM 0 H ASP A 32 41.872 26.859 14.651 1.00 0.00 H new ATOM 0 HA ASP A 32 41.091 28.347 12.392 1.00 0.00 H new ATOM 224 N ALA A 33 39.034 26.175 13.687 1.00 0.00 N ATOM 225 CA ALA A 33 37.780 26.001 14.398 1.00 0.00 C ATOM 226 C ALA A 33 37.133 24.695 13.959 1.00 0.00 C ATOM 227 O ALA A 33 36.509 24.005 14.762 1.00 0.00 O ATOM 228 CB ALA A 33 36.833 27.161 14.096 1.00 0.00 C ATOM 0 H ALA A 33 39.368 25.326 13.231 1.00 0.00 H new ATOM 0 HA ALA A 33 37.979 25.978 15.469 1.00 0.00 H new ATOM 0 HB1 ALA A 33 35.897 27.017 14.636 1.00 0.00 H new ATOM 0 HB2 ALA A 33 37.293 28.098 14.411 1.00 0.00 H new ATOM 0 HB3 ALA A 33 36.632 27.197 13.025 1.00 0.00 H new ATOM 231 N GLU A 34 37.291 24.359 12.676 1.00 0.00 N ATOM 232 CA GLU A 34 36.710 23.157 12.114 1.00 0.00 C ATOM 233 C GLU A 34 37.295 21.911 12.764 1.00 0.00 C ATOM 234 O GLU A 34 36.553 21.010 13.149 1.00 0.00 O ATOM 235 CB GLU A 34 36.954 23.138 10.608 1.00 0.00 C ATOM 0 H GLU A 34 37.824 24.916 12.008 1.00 0.00 H new ATOM 0 HA GLU A 34 35.638 23.158 12.309 1.00 0.00 H new ATOM 238 N ALA A 35 38.623 21.854 12.890 1.00 0.00 N ATOM 239 CA ALA A 35 39.291 20.708 13.475 1.00 0.00 C ATOM 240 C ALA A 35 38.800 20.465 14.895 1.00 0.00 C ATOM 241 O ALA A 35 38.389 19.353 15.219 1.00 0.00 O ATOM 242 CB ALA A 35 40.799 20.944 13.461 1.00 0.00 C ATOM 0 H ALA A 35 39.253 22.598 12.590 1.00 0.00 H new ATOM 0 HA ALA A 35 39.060 19.820 12.887 1.00 0.00 H new ATOM 0 HB1 ALA A 35 41.306 20.085 13.900 1.00 0.00 H new ATOM 0 HB2 ALA A 35 41.137 21.078 12.433 1.00 0.00 H new ATOM 0 HB3 ALA A 35 41.033 21.838 14.040 1.00 0.00 H new ATOM 245 N ALA A 36 38.855 21.502 15.736 1.00 0.00 N ATOM 246 CA ALA A 36 38.428 21.412 17.121 1.00 0.00 C ATOM 247 C ALA A 36 37.043 20.791 17.227 1.00 0.00 C ATOM 248 O ALA A 36 36.856 19.837 17.979 1.00 0.00 O ATOM 249 CB ALA A 36 38.437 22.806 17.742 1.00 0.00 C ATOM 0 H ALA A 36 39.198 22.425 15.468 1.00 0.00 H new ATOM 0 HA ALA A 36 39.121 20.768 17.663 1.00 0.00 H new ATOM 0 HB1 ALA A 36 38.117 22.743 18.782 1.00 0.00 H new ATOM 0 HB2 ALA A 36 39.445 23.218 17.697 1.00 0.00 H new ATOM 0 HB3 ALA A 36 37.755 23.454 17.191 1.00 0.00 H new ATOM 252 N LYS A 37 36.079 21.339 16.481 1.00 0.00 N ATOM 253 CA LYS A 37 34.717 20.837 16.478 1.00 0.00 C ATOM 254 C LYS A 37 34.713 19.334 16.236 1.00 0.00 C ATOM 255 O LYS A 37 34.031 18.594 16.942 1.00 0.00 O ATOM 256 CB LYS A 37 33.914 21.558 15.399 1.00 0.00 C ATOM 0 H LYS A 37 36.228 22.140 15.867 1.00 0.00 H new ATOM 0 HA LYS A 37 34.257 21.027 17.448 1.00 0.00 H new ATOM 259 N VAL A 38 35.484 18.882 15.245 1.00 0.00 N ATOM 260 CA VAL A 38 35.575 17.472 14.927 1.00 0.00 C ATOM 261 C VAL A 38 36.120 16.707 16.125 1.00 0.00 C ATOM 262 O VAL A 38 35.700 15.580 16.402 1.00 0.00 O ATOM 263 CB VAL A 38 36.478 17.285 13.712 1.00 0.00 C ATOM 0 H VAL A 38 36.054 19.483 14.651 1.00 0.00 H new ATOM 0 HA VAL A 38 34.584 17.083 14.693 1.00 0.00 H new ATOM 266 N GLU A 39 37.045 17.316 16.874 1.00 0.00 N ATOM 267 CA GLU A 39 37.623 16.672 18.025 1.00 0.00 C ATOM 268 C GLU A 39 36.521 16.493 19.044 1.00 0.00 C ATOM 269 O GLU A 39 36.431 15.436 19.655 1.00 0.00 O ATOM 270 CB GLU A 39 38.770 17.515 18.577 1.00 0.00 C ATOM 0 H GLU A 39 37.400 18.255 16.692 1.00 0.00 H new ATOM 0 HA GLU A 39 38.041 15.700 17.764 1.00 0.00 H new ATOM 273 N ALA A 40 35.697 17.531 19.220 1.00 0.00 N ATOM 274 CA ALA A 40 34.565 17.471 20.122 1.00 0.00 C ATOM 275 C ALA A 40 33.745 16.229 19.803 1.00 0.00 C ATOM 276 O ALA A 40 33.292 15.531 20.705 1.00 0.00 O ATOM 277 CB ALA A 40 33.722 18.734 19.967 1.00 0.00 C ATOM 0 H ALA A 40 35.803 18.425 18.741 1.00 0.00 H new ATOM 0 HA ALA A 40 34.908 17.412 21.155 1.00 0.00 H new ATOM 0 HB1 ALA A 40 32.870 18.689 20.646 1.00 0.00 H new ATOM 0 HB2 ALA A 40 34.329 19.608 20.204 1.00 0.00 H new ATOM 0 HB3 ALA A 40 33.364 18.809 18.940 1.00 0.00 H new ATOM 280 N ALA A 41 33.561 15.945 18.511 1.00 0.00 N ATOM 281 CA ALA A 41 32.833 14.766 18.088 1.00 0.00 C ATOM 282 C ALA A 41 33.489 13.531 18.694 1.00 0.00 C ATOM 283 O ALA A 41 32.829 12.718 19.343 1.00 0.00 O ATOM 284 CB ALA A 41 32.826 14.688 16.564 1.00 0.00 C ATOM 0 H ALA A 41 33.910 16.522 17.746 1.00 0.00 H new ATOM 0 HA ALA A 41 31.800 14.819 18.432 1.00 0.00 H new ATOM 0 HB1 ALA A 41 32.278 13.800 16.248 1.00 0.00 H new ATOM 0 HB2 ALA A 41 32.344 15.577 16.156 1.00 0.00 H new ATOM 0 HB3 ALA A 41 33.851 14.631 16.198 1.00 0.00 H new ATOM 287 N LYS A 42 34.804 13.392 18.505 1.00 0.00 N ATOM 288 CA LYS A 42 35.522 12.258 19.055 1.00 0.00 C ATOM 289 C LYS A 42 35.362 12.280 20.570 1.00 0.00 C ATOM 290 O LYS A 42 35.293 11.232 21.212 1.00 0.00 O ATOM 291 CB LYS A 42 36.993 12.345 18.658 1.00 0.00 C ATOM 0 H LYS A 42 35.381 14.048 17.979 1.00 0.00 H new ATOM 0 HA LYS A 42 35.123 11.322 18.665 1.00 0.00 H new ATOM 294 N LEU A 43 35.290 13.493 21.126 1.00 0.00 N ATOM 295 CA LEU A 43 35.110 13.688 22.547 1.00 0.00 C ATOM 296 C LEU A 43 33.849 12.945 22.922 1.00 0.00 C ATOM 297 O LEU A 43 33.935 11.984 23.676 1.00 0.00 O ATOM 298 CB LEU A 43 35.004 15.176 22.869 1.00 0.00 C ATOM 0 H LEU A 43 35.356 14.361 20.594 1.00 0.00 H new ATOM 0 HA LEU A 43 35.958 13.309 23.117 1.00 0.00 H new ATOM 301 N GLU A 44 32.716 13.388 22.362 1.00 0.00 N ATOM 302 CA GLU A 44 31.423 12.768 22.574 1.00 0.00 C ATOM 303 C GLU A 44 31.556 11.252 22.597 1.00 0.00 C ATOM 304 O GLU A 44 30.950 10.598 23.441 1.00 0.00 O ATOM 305 CB GLU A 44 30.465 13.208 21.471 1.00 0.00 C ATOM 0 H GLU A 44 32.682 14.198 21.743 1.00 0.00 H new ATOM 0 HA GLU A 44 31.026 13.084 23.539 1.00 0.00 H new ATOM 308 N LYS A 45 32.369 10.680 21.705 1.00 0.00 N ATOM 309 CA LYS A 45 32.601 9.248 21.710 1.00 0.00 C ATOM 310 C LYS A 45 33.172 8.803 23.057 1.00 0.00 C ATOM 311 O LYS A 45 32.718 7.812 23.625 1.00 0.00 O ATOM 312 CB LYS A 45 33.558 8.889 20.577 1.00 0.00 C ATOM 0 H LYS A 45 32.871 11.189 20.978 1.00 0.00 H new ATOM 0 HA LYS A 45 31.655 8.729 21.558 1.00 0.00 H new ATOM 315 N ILE A 46 34.164 9.539 23.569 1.00 0.00 N ATOM 316 CA ILE A 46 34.798 9.223 24.843 1.00 0.00 C ATOM 317 C ILE A 46 33.819 9.470 25.985 1.00 0.00 C ATOM 318 O ILE A 46 33.587 8.596 26.818 1.00 0.00 O ATOM 319 CB ILE A 46 36.033 10.098 25.018 1.00 0.00 C ATOM 0 H ILE A 46 34.545 10.366 23.110 1.00 0.00 H new ATOM 0 HA ILE A 46 35.092 8.173 24.854 1.00 0.00 H new ATOM 322 N LEU A 47 33.246 10.673 26.006 1.00 0.00 N ATOM 323 CA LEU A 47 32.237 11.018 26.978 1.00 0.00 C ATOM 324 C LEU A 47 31.057 10.235 26.444 1.00 0.00 C ATOM 325 O LEU A 47 30.111 10.808 25.909 1.00 0.00 O ATOM 326 CB LEU A 47 31.979 12.522 26.965 1.00 0.00 C ATOM 0 H LEU A 47 33.473 11.422 25.352 1.00 0.00 H new ATOM 0 HA LEU A 47 32.487 10.789 28.014 1.00 0.00 H new ATOM 329 N ALA A 48 31.188 8.910 26.531 1.00 0.00 N ATOM 330 CA ALA A 48 30.197 8.010 25.988 1.00 0.00 C ATOM 331 C ALA A 48 29.146 7.901 27.068 1.00 0.00 C ATOM 332 O ALA A 48 29.541 7.795 28.227 1.00 0.00 O ATOM 333 CB ALA A 48 30.829 6.652 25.695 1.00 0.00 C ATOM 0 H ALA A 48 31.979 8.445 26.977 1.00 0.00 H new ATOM 0 HA ALA A 48 29.774 8.364 25.048 1.00 0.00 H new ATOM 0 HB1 ALA A 48 30.074 5.980 25.286 1.00 0.00 H new ATOM 0 HB2 ALA A 48 31.636 6.774 24.972 1.00 0.00 H new ATOM 0 HB3 ALA A 48 31.229 6.230 26.617 1.00 0.00 H new ATOM 336 N THR A 49 27.846 7.894 26.768 1.00 0.00 N ATOM 337 CA THR A 49 26.856 7.659 27.798 1.00 0.00 C ATOM 338 C THR A 49 26.823 6.152 28.007 1.00 0.00 C ATOM 339 O THR A 49 25.779 5.529 27.823 1.00 0.00 O ATOM 340 CB THR A 49 25.496 8.158 27.317 1.00 0.00 C ATOM 0 H THR A 49 27.467 8.047 25.833 1.00 0.00 H new ATOM 0 HA THR A 49 27.095 8.181 28.725 1.00 0.00 H new ATOM 343 N ASP A 50 27.967 5.558 28.368 1.00 0.00 N ATOM 344 CA ASP A 50 28.046 4.126 28.536 1.00 0.00 C ATOM 345 C ASP A 50 29.337 3.634 29.194 1.00 0.00 C ATOM 346 O ASP A 50 29.355 2.488 29.636 1.00 0.00 O ATOM 347 CB ASP A 50 27.857 3.462 27.175 1.00 0.00 C ATOM 0 H ASP A 50 28.840 6.055 28.546 1.00 0.00 H new ATOM 0 HA ASP A 50 27.251 3.845 29.227 1.00 0.00 H new ATOM 350 N VAL A 51 30.420 4.431 29.262 1.00 0.00 N ATOM 351 CA VAL A 51 31.655 3.990 29.877 1.00 0.00 C ATOM 352 C VAL A 51 31.466 3.739 31.366 1.00 0.00 C ATOM 353 O VAL A 51 30.828 2.758 31.737 1.00 0.00 O ATOM 354 CB VAL A 51 32.743 5.033 29.632 1.00 0.00 C ATOM 0 H VAL A 51 30.450 5.382 28.894 1.00 0.00 H new ATOM 0 HA VAL A 51 31.958 3.046 29.425 1.00 0.00 H new ATOM 357 N ALA A 52 31.998 4.633 32.208 1.00 0.00 N ATOM 358 CA ALA A 52 31.923 4.485 33.651 1.00 0.00 C ATOM 359 C ALA A 52 32.806 3.340 34.140 1.00 0.00 C ATOM 360 O ALA A 52 33.651 3.533 35.011 1.00 0.00 O ATOM 361 CB ALA A 52 30.471 4.264 34.069 1.00 0.00 C ATOM 0 H ALA A 52 32.489 5.473 31.902 1.00 0.00 H new ATOM 0 HA ALA A 52 32.293 5.401 34.112 1.00 0.00 H new ATOM 0 HB1 ALA A 52 30.417 4.153 35.152 1.00 0.00 H new ATOM 0 HB2 ALA A 52 29.870 5.119 33.761 1.00 0.00 H new ATOM 0 HB3 ALA A 52 30.089 3.361 33.592 1.00 0.00 H new ATOM 364 N PRO A 53 32.604 2.145 33.579 1.00 0.00 N ATOM 365 CA PRO A 53 33.336 0.952 33.943 1.00 0.00 C ATOM 366 C PRO A 53 34.806 1.060 33.571 1.00 0.00 C ATOM 367 O PRO A 53 35.630 1.364 34.432 1.00 0.00 O ATOM 368 CB PRO A 53 33.176 0.708 35.440 1.00 0.00 C ATOM 0 HA PRO A 53 32.928 0.108 33.387 1.00 0.00 H new ATOM 370 N LEU A 54 35.147 0.781 32.306 1.00 0.00 N ATOM 371 CA LEU A 54 36.535 0.804 31.894 1.00 0.00 C ATOM 372 C LEU A 54 37.191 -0.376 32.595 1.00 0.00 C ATOM 373 O LEU A 54 38.293 -0.256 33.126 1.00 0.00 O ATOM 374 CB LEU A 54 37.189 2.134 32.265 1.00 0.00 C ATOM 0 H LEU A 54 34.484 0.542 31.569 1.00 0.00 H new ATOM 0 HA LEU A 54 36.644 0.718 30.813 1.00 0.00 H new ATOM 377 N PHE A 55 36.456 -1.495 32.564 1.00 0.00 N ATOM 378 CA PHE A 55 36.835 -2.759 33.173 1.00 0.00 C ATOM 379 C PHE A 55 35.584 -3.545 33.540 1.00 0.00 C ATOM 380 O PHE A 55 34.981 -4.188 32.683 1.00 0.00 O ATOM 381 CB PHE A 55 37.685 -2.555 34.424 1.00 0.00 C ATOM 0 H PHE A 55 35.551 -1.538 32.096 1.00 0.00 H new ATOM 0 HA PHE A 55 37.431 -3.311 32.446 1.00 0.00 H new ATOM 384 N PRO A 56 35.203 -3.505 34.822 1.00 0.00 N ATOM 385 CA PRO A 56 34.048 -4.240 35.301 1.00 0.00 C ATOM 386 C PRO A 56 34.263 -5.710 34.972 1.00 0.00 C ATOM 387 O PRO A 56 35.387 -6.115 34.680 1.00 0.00 O ATOM 388 CB PRO A 56 33.896 -4.033 36.805 1.00 0.00 C ATOM 0 HA PRO A 56 33.135 -3.887 34.822 1.00 0.00 H new ATOM 390 N ALA A 57 33.209 -6.527 35.012 1.00 0.00 N ATOM 391 CA ALA A 57 33.336 -7.930 34.685 1.00 0.00 C ATOM 392 C ALA A 57 33.808 -8.062 33.244 1.00 0.00 C ATOM 393 O ALA A 57 33.025 -8.444 32.376 1.00 0.00 O ATOM 394 CB ALA A 57 31.989 -8.622 34.879 1.00 0.00 C ATOM 0 H ALA A 57 32.266 -6.234 35.268 1.00 0.00 H new ATOM 0 HA ALA A 57 34.065 -8.405 35.341 1.00 0.00 H new ATOM 0 HB1 ALA A 57 32.084 -9.679 34.633 1.00 0.00 H new ATOM 0 HB2 ALA A 57 31.673 -8.518 35.917 1.00 0.00 H new ATOM 0 HB3 ALA A 57 31.247 -8.163 34.226 1.00 0.00 H new ATOM 397 N GLY A 58 35.084 -7.737 33.008 1.00 0.00 N ATOM 398 CA GLY A 58 35.693 -7.812 31.690 1.00 0.00 C ATOM 399 C GLY A 58 37.121 -8.304 31.856 1.00 0.00 C ATOM 400 O GLY A 58 37.625 -9.064 31.033 1.00 0.00 O ATOM 0 H GLY A 58 35.721 -7.413 33.736 1.00 0.00 H new ATOM 0 HA2 GLY A 58 35.129 -8.489 31.048 1.00 0.00 H new ATOM 0 HA3 GLY A 58 35.681 -6.834 31.209 1.00 0.00 H new ATOM 404 N THR A 59 37.761 -7.871 32.942 1.00 0.00 N ATOM 405 CA THR A 59 39.116 -8.262 33.257 1.00 0.00 C ATOM 406 C THR A 59 39.385 -7.848 34.693 1.00 0.00 C ATOM 407 O THR A 59 39.488 -8.692 35.580 1.00 0.00 O ATOM 408 CB THR A 59 40.086 -7.580 32.296 1.00 0.00 C ATOM 0 H THR A 59 37.344 -7.237 33.624 1.00 0.00 H new ATOM 0 HA THR A 59 39.252 -9.338 33.150 1.00 0.00 H new ATOM 411 N SER A 60 39.489 -6.537 34.917 1.00 0.00 N ATOM 412 CA SER A 60 39.724 -5.993 36.240 1.00 0.00 C ATOM 413 C SER A 60 38.484 -6.155 37.107 1.00 0.00 C ATOM 414 O SER A 60 37.508 -6.773 36.689 1.00 0.00 O ATOM 415 CB SER A 60 40.087 -4.516 36.116 1.00 0.00 C ATOM 0 H SER A 60 39.412 -5.831 34.184 1.00 0.00 H new ATOM 0 HA SER A 60 40.545 -6.533 36.711 1.00 0.00 H new ATOM 418 N SER A 61 38.530 -5.584 38.314 1.00 0.00 N ATOM 419 CA SER A 61 37.422 -5.653 39.247 1.00 0.00 C ATOM 420 C SER A 61 36.985 -7.096 39.453 1.00 0.00 C ATOM 421 O SER A 61 35.800 -7.405 39.348 1.00 0.00 O ATOM 422 CB SER A 61 36.264 -4.807 38.724 1.00 0.00 C ATOM 0 H SER A 61 39.336 -5.065 38.663 1.00 0.00 H new ATOM 0 HA SER A 61 37.742 -5.260 40.212 1.00 0.00 H new ATOM 425 N THR A 62 37.942 -7.980 39.743 1.00 0.00 N ATOM 426 CA THR A 62 37.643 -9.382 39.960 1.00 0.00 C ATOM 427 C THR A 62 38.926 -10.174 40.166 1.00 0.00 C ATOM 428 O THR A 62 39.065 -10.876 41.165 1.00 0.00 O ATOM 429 CB THR A 62 36.865 -9.926 38.766 1.00 0.00 C ATOM 0 H THR A 62 38.930 -7.741 39.831 1.00 0.00 H new ATOM 0 HA THR A 62 37.035 -9.483 40.859 1.00 0.00 H new ATOM 432 N ASP A 63 39.862 -10.050 39.220 1.00 0.00 N ATOM 433 CA ASP A 63 41.127 -10.759 39.282 1.00 0.00 C ATOM 434 C ASP A 63 41.867 -10.596 37.962 1.00 0.00 C ATOM 435 O ASP A 63 42.784 -9.785 37.859 1.00 0.00 O ATOM 436 CB ASP A 63 40.880 -12.239 39.564 1.00 0.00 C ATOM 0 H ASP A 63 39.757 -9.457 38.397 1.00 0.00 H new ATOM 0 HA ASP A 63 41.734 -10.344 40.087 1.00 0.00 H new ATOM 439 N LEU A 64 41.468 -11.384 36.960 1.00 0.00 N ATOM 440 CA LEU A 64 42.082 -11.341 35.648 1.00 0.00 C ATOM 441 C LEU A 64 43.473 -11.954 35.712 1.00 0.00 C ATOM 442 O LEU A 64 43.613 -13.174 35.750 1.00 0.00 O ATOM 443 CB LEU A 64 42.138 -9.900 35.146 1.00 0.00 C ATOM 0 H LEU A 64 40.713 -12.064 37.044 1.00 0.00 H new ATOM 0 HA LEU A 64 41.483 -11.921 34.946 1.00 0.00 H new ATOM 446 N PRO A 65 44.505 -11.106 35.713 1.00 0.00 N ATOM 447 CA PRO A 65 45.878 -11.568 35.769 1.00 0.00 C ATOM 448 C PRO A 65 46.222 -12.340 34.503 1.00 0.00 C ATOM 449 O PRO A 65 45.342 -12.607 33.686 1.00 0.00 O ATOM 450 CB PRO A 65 46.808 -10.370 35.939 1.00 0.00 C ATOM 0 HA PRO A 65 46.003 -12.237 36.620 1.00 0.00 H new ATOM 452 N GLY A 66 47.500 -12.711 34.363 1.00 0.00 N ATOM 453 CA GLY A 66 47.998 -13.449 33.213 1.00 0.00 C ATOM 454 C GLY A 66 47.479 -12.911 31.884 1.00 0.00 C ATOM 455 O GLY A 66 46.959 -11.799 31.813 1.00 0.00 O ATOM 0 H GLY A 66 48.219 -12.502 35.056 1.00 0.00 H new ATOM 0 HA2 GLY A 66 49.087 -13.414 33.211 1.00 0.00 H new ATOM 0 HA3 GLY A 66 47.712 -14.496 33.310 1.00 0.00 H new ATOM 459 N GLN A 67 47.631 -13.718 30.830 1.00 0.00 N ATOM 460 CA GLN A 67 47.166 -13.375 29.499 1.00 0.00 C ATOM 461 C GLN A 67 47.630 -11.991 29.065 1.00 0.00 C ATOM 462 O GLN A 67 48.473 -11.373 29.712 1.00 0.00 O ATOM 463 CB GLN A 67 45.643 -13.458 29.466 1.00 0.00 C ATOM 0 H GLN A 67 48.083 -14.631 30.885 1.00 0.00 H new ATOM 0 HA GLN A 67 47.596 -14.087 28.795 1.00 0.00 H new ATOM 466 N THR A 68 47.068 -11.514 27.953 1.00 0.00 N ATOM 467 CA THR A 68 47.398 -10.207 27.422 1.00 0.00 C ATOM 468 C THR A 68 46.739 -9.134 28.278 1.00 0.00 C ATOM 469 O THR A 68 45.533 -9.179 28.506 1.00 0.00 O ATOM 470 CB THR A 68 46.925 -10.111 25.974 1.00 0.00 C ATOM 0 H THR A 68 46.377 -12.025 27.404 1.00 0.00 H new ATOM 0 HA THR A 68 48.477 -10.057 27.444 1.00 0.00 H new ATOM 473 N GLU A 69 47.534 -8.172 28.753 1.00 0.00 N ATOM 474 CA GLU A 69 47.027 -7.099 29.585 1.00 0.00 C ATOM 475 C GLU A 69 48.183 -6.245 30.084 1.00 0.00 C ATOM 476 O GLU A 69 49.342 -6.635 29.963 1.00 0.00 O ATOM 477 CB GLU A 69 46.247 -7.684 30.759 1.00 0.00 C ATOM 0 H GLU A 69 48.536 -8.122 28.569 1.00 0.00 H new ATOM 0 HA GLU A 69 46.357 -6.470 28.999 1.00 0.00 H new ATOM 480 N ALA A 70 47.859 -5.077 30.645 1.00 0.00 N ATOM 481 CA ALA A 70 48.857 -4.161 31.162 1.00 0.00 C ATOM 482 C ALA A 70 48.177 -2.859 31.554 1.00 0.00 C ATOM 483 O ALA A 70 46.966 -2.833 31.766 1.00 0.00 O ATOM 484 CB ALA A 70 49.921 -3.908 30.097 1.00 0.00 C ATOM 0 H ALA A 70 46.899 -4.748 30.749 1.00 0.00 H new ATOM 0 HA ALA A 70 49.340 -4.591 32.039 1.00 0.00 H new ATOM 0 HB1 ALA A 70 50.670 -3.219 30.488 1.00 0.00 H new ATOM 0 HB2 ALA A 70 50.399 -4.850 29.829 1.00 0.00 H new ATOM 0 HB3 ALA A 70 49.455 -3.474 29.213 1.00 0.00 H new ATOM 487 N LYS A 71 48.957 -1.778 31.643 1.00 0.00 N ATOM 488 CA LYS A 71 48.426 -0.473 31.991 1.00 0.00 C ATOM 489 C LYS A 71 48.033 -0.429 33.461 1.00 0.00 C ATOM 490 O LYS A 71 46.918 -0.012 33.769 1.00 0.00 O ATOM 491 CB LYS A 71 47.235 -0.143 31.096 1.00 0.00 C ATOM 0 H LYS A 71 49.963 -1.790 31.476 1.00 0.00 H new ATOM 0 HA LYS A 71 49.199 0.279 31.831 1.00 0.00 H new ATOM 494 N ALA A 72 48.954 -0.882 34.324 1.00 0.00 N ATOM 495 CA ALA A 72 48.798 -0.923 35.776 1.00 0.00 C ATOM 496 C ALA A 72 48.538 -2.356 36.208 1.00 0.00 C ATOM 497 O ALA A 72 49.203 -3.267 35.721 1.00 0.00 O ATOM 498 CB ALA A 72 47.732 0.035 36.304 1.00 0.00 C ATOM 0 H ALA A 72 49.857 -1.241 34.014 1.00 0.00 H new ATOM 0 HA ALA A 72 49.729 -0.571 36.220 1.00 0.00 H new ATOM 0 HB1 ALA A 72 47.672 -0.050 37.389 1.00 0.00 H new ATOM 0 HB2 ALA A 72 47.996 1.058 36.034 1.00 0.00 H new ATOM 0 HB3 ALA A 72 46.766 -0.218 35.866 1.00 0.00 H new ATOM 501 N ALA A 73 47.580 -2.557 37.117 1.00 0.00 N ATOM 502 CA ALA A 73 47.205 -3.868 37.604 1.00 0.00 C ATOM 503 C ALA A 73 45.718 -3.804 37.925 1.00 0.00 C ATOM 504 O ALA A 73 45.352 -3.416 39.030 1.00 0.00 O ATOM 505 CB ALA A 73 48.028 -4.209 38.843 1.00 0.00 C ATOM 0 H ALA A 73 47.042 -1.798 37.535 1.00 0.00 H new ATOM 0 HA ALA A 73 47.397 -4.647 36.866 1.00 0.00 H new ATOM 0 HB1 ALA A 73 47.744 -5.196 39.208 1.00 0.00 H new ATOM 0 HB2 ALA A 73 49.088 -4.207 38.588 1.00 0.00 H new ATOM 0 HB3 ALA A 73 47.841 -3.467 39.620 1.00 0.00 H new ATOM 508 N ILE A 74 44.894 -4.142 36.924 1.00 0.00 N ATOM 509 CA ILE A 74 43.437 -4.155 36.987 1.00 0.00 C ATOM 510 C ILE A 74 42.813 -4.249 38.377 1.00 0.00 C ATOM 511 O ILE A 74 42.366 -3.242 38.922 1.00 0.00 O ATOM 512 CB ILE A 74 42.937 -5.301 36.114 1.00 0.00 C ATOM 0 H ILE A 74 45.247 -4.426 36.010 1.00 0.00 H new ATOM 0 HA ILE A 74 43.118 -3.177 36.628 1.00 0.00 H new ATOM 515 N TRP A 75 42.758 -5.459 38.941 1.00 0.00 N ATOM 516 CA TRP A 75 42.144 -5.677 40.240 1.00 0.00 C ATOM 517 C TRP A 75 43.039 -5.203 41.381 1.00 0.00 C ATOM 518 O TRP A 75 42.600 -5.133 42.527 1.00 0.00 O ATOM 519 CB TRP A 75 41.820 -7.160 40.398 1.00 0.00 C ATOM 0 H TRP A 75 43.136 -6.303 38.510 1.00 0.00 H new ATOM 0 HA TRP A 75 41.227 -5.089 40.289 1.00 0.00 H new ATOM 522 N ALA A 76 44.292 -4.875 41.065 1.00 0.00 N ATOM 523 CA ALA A 76 45.228 -4.412 42.069 1.00 0.00 C ATOM 524 C ALA A 76 44.681 -3.156 42.733 1.00 0.00 C ATOM 525 O ALA A 76 44.170 -3.229 43.849 1.00 0.00 O ATOM 526 CB ALA A 76 46.587 -4.145 41.431 1.00 0.00 C ATOM 0 H ALA A 76 44.674 -4.924 40.121 1.00 0.00 H new ATOM 0 HA ALA A 76 45.357 -5.180 42.831 1.00 0.00 H new ATOM 0 HB1 ALA A 76 47.285 -3.797 42.193 1.00 0.00 H new ATOM 0 HB2 ALA A 76 46.966 -5.064 40.984 1.00 0.00 H new ATOM 0 HB3 ALA A 76 46.483 -3.382 40.659 1.00 0.00 H new ATOM 529 N ASN A 77 44.797 -2.019 42.034 1.00 0.00 N ATOM 530 CA ASN A 77 44.338 -0.728 42.523 1.00 0.00 C ATOM 531 C ASN A 77 43.008 -0.354 41.883 1.00 0.00 C ATOM 532 O ASN A 77 42.883 0.740 41.341 1.00 0.00 O ATOM 533 CB ASN A 77 45.391 0.326 42.193 1.00 0.00 C ATOM 0 H ASN A 77 45.217 -1.978 41.105 1.00 0.00 H new ATOM 0 HA ASN A 77 44.192 -0.782 43.602 1.00 0.00 H new ATOM 536 N MET A 78 42.033 -1.268 41.938 1.00 0.00 N ATOM 537 CA MET A 78 40.710 -1.049 41.373 1.00 0.00 C ATOM 538 C MET A 78 40.143 0.317 41.748 1.00 0.00 C ATOM 539 O MET A 78 39.552 0.996 40.911 1.00 0.00 O ATOM 540 CB MET A 78 39.776 -2.158 41.850 1.00 0.00 C ATOM 0 H MET A 78 42.146 -2.181 42.378 1.00 0.00 H new ATOM 0 HA MET A 78 40.795 -1.070 40.287 1.00 0.00 H new ATOM 543 N ASP A 79 40.332 0.721 43.005 1.00 0.00 N ATOM 544 CA ASP A 79 39.838 2.002 43.475 1.00 0.00 C ATOM 545 C ASP A 79 40.503 3.124 42.687 1.00 0.00 C ATOM 546 O ASP A 79 39.825 3.962 42.097 1.00 0.00 O ATOM 547 CB ASP A 79 40.123 2.142 44.967 1.00 0.00 C ATOM 0 H ASP A 79 40.825 0.174 43.711 1.00 0.00 H new ATOM 0 HA ASP A 79 38.761 2.063 43.322 1.00 0.00 H new ATOM 550 N ASP A 80 41.838 3.125 42.692 1.00 0.00 N ATOM 551 CA ASP A 80 42.606 4.127 41.976 1.00 0.00 C ATOM 552 C ASP A 80 42.164 4.153 40.520 1.00 0.00 C ATOM 553 O ASP A 80 41.989 5.219 39.930 1.00 0.00 O ATOM 554 CB ASP A 80 44.094 3.806 42.089 1.00 0.00 C ATOM 0 H ASP A 80 42.405 2.437 43.188 1.00 0.00 H new ATOM 0 HA ASP A 80 42.433 5.112 42.410 1.00 0.00 H new ATOM 557 N PHE A 81 41.970 2.963 39.949 1.00 0.00 N ATOM 558 CA PHE A 81 41.540 2.831 38.576 1.00 0.00 C ATOM 559 C PHE A 81 40.236 3.588 38.394 1.00 0.00 C ATOM 560 O PHE A 81 40.123 4.403 37.480 1.00 0.00 O ATOM 561 CB PHE A 81 41.370 1.354 38.231 1.00 0.00 C ATOM 0 H PHE A 81 42.108 2.075 40.431 1.00 0.00 H new ATOM 0 HA PHE A 81 42.288 3.251 37.904 1.00 0.00 H new ATOM 564 N GLY A 82 39.255 3.316 39.262 1.00 0.00 N ATOM 565 CA GLY A 82 37.970 3.984 39.215 1.00 0.00 C ATOM 566 C GLY A 82 38.184 5.488 39.198 1.00 0.00 C ATOM 567 O GLY A 82 37.472 6.206 38.498 1.00 0.00 O ATOM 0 H GLY A 82 39.339 2.628 40.010 1.00 0.00 H new ATOM 0 HA2 GLY A 82 37.419 3.674 38.327 1.00 0.00 H new ATOM 0 HA3 GLY A 82 37.369 3.701 40.079 1.00 0.00 H new ATOM 571 N ALA A 83 39.174 5.960 39.961 1.00 0.00 N ATOM 572 CA ALA A 83 39.501 7.370 40.011 1.00 0.00 C ATOM 573 C ALA A 83 39.740 7.885 38.599 1.00 0.00 C ATOM 574 O ALA A 83 38.986 8.735 38.133 1.00 0.00 O ATOM 575 CB ALA A 83 40.737 7.576 40.881 1.00 0.00 C ATOM 0 H ALA A 83 39.761 5.373 40.553 1.00 0.00 H new ATOM 0 HA ALA A 83 38.673 7.928 40.449 1.00 0.00 H new ATOM 0 HB1 ALA A 83 40.983 8.637 40.918 1.00 0.00 H new ATOM 0 HB2 ALA A 83 40.537 7.214 41.889 1.00 0.00 H new ATOM 0 HB3 ALA A 83 41.576 7.024 40.458 1.00 0.00 H new ATOM 578 N LYS A 84 40.792 7.374 37.944 1.00 0.00 N ATOM 579 CA LYS A 84 41.144 7.764 36.582 1.00 0.00 C ATOM 580 C LYS A 84 39.911 7.823 35.689 1.00 0.00 C ATOM 581 O LYS A 84 39.820 8.660 34.799 1.00 0.00 O ATOM 582 CB LYS A 84 42.167 6.779 36.024 1.00 0.00 C ATOM 0 H LYS A 84 41.420 6.679 38.348 1.00 0.00 H new ATOM 0 HA LYS A 84 41.578 8.763 36.604 1.00 0.00 H new ATOM 585 N GLY A 85 38.990 6.901 35.947 1.00 0.00 N ATOM 586 CA GLY A 85 37.736 6.850 35.218 1.00 0.00 C ATOM 587 C GLY A 85 37.089 8.223 35.334 1.00 0.00 C ATOM 588 O GLY A 85 37.007 8.962 34.354 1.00 0.00 O ATOM 0 H GLY A 85 39.093 6.178 36.659 1.00 0.00 H new ATOM 0 HA2 GLY A 85 37.909 6.594 34.173 1.00 0.00 H new ATOM 0 HA3 GLY A 85 37.083 6.081 35.630 1.00 0.00 H new ATOM 592 N LYS A 86 36.638 8.524 36.552 1.00 0.00 N ATOM 593 CA LYS A 86 36.039 9.809 36.867 1.00 0.00 C ATOM 594 C LYS A 86 36.888 10.948 36.301 1.00 0.00 C ATOM 595 O LYS A 86 36.355 11.869 35.686 1.00 0.00 O ATOM 596 CB LYS A 86 35.900 9.943 38.381 1.00 0.00 C ATOM 0 H LYS A 86 36.680 7.881 37.343 1.00 0.00 H new ATOM 0 HA LYS A 86 35.051 9.868 36.411 1.00 0.00 H new ATOM 599 N ALA A 87 38.208 10.873 36.504 1.00 0.00 N ATOM 600 CA ALA A 87 39.123 11.897 36.031 1.00 0.00 C ATOM 601 C ALA A 87 38.932 12.159 34.544 1.00 0.00 C ATOM 602 O ALA A 87 38.732 13.299 34.128 1.00 0.00 O ATOM 603 CB ALA A 87 40.557 11.467 36.323 1.00 0.00 C ATOM 0 H ALA A 87 38.661 10.104 36.998 1.00 0.00 H new ATOM 0 HA ALA A 87 38.912 12.828 36.557 1.00 0.00 H new ATOM 0 HB1 ALA A 87 41.246 12.234 35.969 1.00 0.00 H new ATOM 0 HB2 ALA A 87 40.685 11.332 37.397 1.00 0.00 H new ATOM 0 HB3 ALA A 87 40.766 10.527 35.812 1.00 0.00 H new ATOM 606 N MET A 88 38.996 11.092 33.748 1.00 0.00 N ATOM 607 CA MET A 88 38.834 11.175 32.313 1.00 0.00 C ATOM 608 C MET A 88 37.514 11.859 32.010 1.00 0.00 C ATOM 609 O MET A 88 37.462 12.741 31.161 1.00 0.00 O ATOM 610 CB MET A 88 38.867 9.771 31.716 1.00 0.00 C ATOM 0 H MET A 88 39.163 10.146 34.091 1.00 0.00 H new ATOM 0 HA MET A 88 39.645 11.755 31.871 1.00 0.00 H new ATOM 613 N HIS A 89 36.454 11.450 32.710 1.00 0.00 N ATOM 614 CA HIS A 89 35.140 12.041 32.529 1.00 0.00 C ATOM 615 C HIS A 89 35.187 13.542 32.809 1.00 0.00 C ATOM 616 O HIS A 89 34.588 14.322 32.074 1.00 0.00 O ATOM 617 CB HIS A 89 34.144 11.351 33.457 1.00 0.00 C ATOM 0 H HIS A 89 36.487 10.708 33.409 1.00 0.00 H new ATOM 0 HA HIS A 89 34.821 11.902 31.496 1.00 0.00 H new ATOM 620 N GLU A 90 35.887 13.921 33.884 1.00 0.00 N ATOM 621 CA GLU A 90 36.024 15.327 34.254 1.00 0.00 C ATOM 622 C GLU A 90 36.471 16.140 33.037 1.00 0.00 C ATOM 623 O GLU A 90 35.920 17.197 32.736 1.00 0.00 O ATOM 624 CB GLU A 90 37.033 15.456 35.391 1.00 0.00 C ATOM 0 H GLU A 90 36.365 13.272 34.509 1.00 0.00 H new ATOM 0 HA GLU A 90 35.063 15.715 34.593 1.00 0.00 H new ATOM 627 N ALA A 91 37.470 15.600 32.343 1.00 0.00 N ATOM 628 CA ALA A 91 37.993 16.225 31.133 1.00 0.00 C ATOM 629 C ALA A 91 37.010 16.027 29.971 1.00 0.00 C ATOM 630 O ALA A 91 36.897 16.862 29.082 1.00 0.00 O ATOM 631 CB ALA A 91 39.357 15.627 30.808 1.00 0.00 C ATOM 0 H ALA A 91 37.934 14.729 32.600 1.00 0.00 H new ATOM 0 HA ALA A 91 38.111 17.297 31.292 1.00 0.00 H new ATOM 0 HB1 ALA A 91 39.752 16.091 29.904 1.00 0.00 H new ATOM 0 HB2 ALA A 91 40.041 15.808 31.637 1.00 0.00 H new ATOM 0 HB3 ALA A 91 39.255 14.553 30.650 1.00 0.00 H new ATOM 634 N GLY A 92 36.324 14.889 30.010 1.00 0.00 N ATOM 635 CA GLY A 92 35.337 14.532 29.006 1.00 0.00 C ATOM 636 C GLY A 92 34.245 15.596 28.913 1.00 0.00 C ATOM 637 O GLY A 92 34.115 16.286 27.902 1.00 0.00 O ATOM 0 H GLY A 92 36.440 14.189 30.742 1.00 0.00 H new ATOM 0 HA2 GLY A 92 35.823 14.418 28.037 1.00 0.00 H new ATOM 0 HA3 GLY A 92 34.892 13.569 29.254 1.00 0.00 H new ATOM 641 N GLY A 93 33.461 15.730 29.985 1.00 0.00 N ATOM 642 CA GLY A 93 32.368 16.677 30.034 1.00 0.00 C ATOM 643 C GLY A 93 32.893 18.105 29.995 1.00 0.00 C ATOM 644 O GLY A 93 32.293 18.968 29.357 1.00 0.00 O ATOM 0 H GLY A 93 33.574 15.181 30.838 1.00 0.00 H new ATOM 0 HA2 GLY A 93 31.696 16.508 29.193 1.00 0.00 H new ATOM 0 HA3 GLY A 93 31.787 16.522 30.943 1.00 0.00 H new ATOM 648 N ALA A 94 34.018 18.358 30.667 1.00 0.00 N ATOM 649 CA ALA A 94 34.607 19.679 30.706 1.00 0.00 C ATOM 650 C ALA A 94 35.055 20.092 29.311 1.00 0.00 C ATOM 651 O ALA A 94 34.930 21.257 28.945 1.00 0.00 O ATOM 652 CB ALA A 94 35.789 19.677 31.671 1.00 0.00 C ATOM 0 H ALA A 94 34.535 17.653 31.192 1.00 0.00 H new ATOM 0 HA ALA A 94 33.866 20.399 31.054 1.00 0.00 H new ATOM 0 HB1 ALA A 94 36.235 20.671 31.702 1.00 0.00 H new ATOM 0 HB2 ALA A 94 35.444 19.402 32.668 1.00 0.00 H new ATOM 0 HB3 ALA A 94 36.533 18.956 31.333 1.00 0.00 H new ATOM 655 N VAL A 95 35.573 19.139 28.531 1.00 0.00 N ATOM 656 CA VAL A 95 36.036 19.403 27.184 1.00 0.00 C ATOM 657 C VAL A 95 34.857 19.793 26.315 1.00 0.00 C ATOM 658 O VAL A 95 34.956 20.725 25.523 1.00 0.00 O ATOM 659 CB VAL A 95 36.734 18.168 26.622 1.00 0.00 C ATOM 0 H VAL A 95 35.679 18.168 28.823 1.00 0.00 H new ATOM 0 HA VAL A 95 36.752 20.225 27.197 1.00 0.00 H new ATOM 662 N ILE A 96 33.736 19.083 26.445 1.00 0.00 N ATOM 663 CA ILE A 96 32.555 19.420 25.681 1.00 0.00 C ATOM 664 C ILE A 96 32.164 20.857 26.007 1.00 0.00 C ATOM 665 O ILE A 96 31.722 21.600 25.134 1.00 0.00 O ATOM 666 CB ILE A 96 31.426 18.458 26.038 1.00 0.00 C ATOM 0 H ILE A 96 33.630 18.282 27.067 1.00 0.00 H new ATOM 0 HA ILE A 96 32.752 19.333 24.612 1.00 0.00 H new ATOM 669 N ALA A 97 32.353 21.245 27.271 1.00 0.00 N ATOM 670 CA ALA A 97 32.008 22.576 27.738 1.00 0.00 C ATOM 671 C ALA A 97 32.952 23.647 27.198 1.00 0.00 C ATOM 672 O ALA A 97 32.499 24.648 26.647 1.00 0.00 O ATOM 673 CB ALA A 97 32.015 22.585 29.264 1.00 0.00 C ATOM 0 H ALA A 97 32.749 20.642 27.992 1.00 0.00 H new ATOM 0 HA ALA A 97 31.013 22.818 27.363 1.00 0.00 H new ATOM 0 HB1 ALA A 97 31.757 23.581 29.623 1.00 0.00 H new ATOM 0 HB2 ALA A 97 31.286 21.865 29.635 1.00 0.00 H new ATOM 0 HB3 ALA A 97 33.007 22.315 29.625 1.00 0.00 H new ATOM 676 N ALA A 98 34.262 23.446 27.363 1.00 0.00 N ATOM 677 CA ALA A 98 35.252 24.415 26.926 1.00 0.00 C ATOM 678 C ALA A 98 35.349 24.453 25.407 1.00 0.00 C ATOM 679 O ALA A 98 35.337 25.523 24.805 1.00 0.00 O ATOM 680 CB ALA A 98 36.604 24.064 27.541 1.00 0.00 C ATOM 0 H ALA A 98 34.657 22.613 27.800 1.00 0.00 H new ATOM 0 HA ALA A 98 34.947 25.407 27.260 1.00 0.00 H new ATOM 0 HB1 ALA A 98 37.351 24.789 27.216 1.00 0.00 H new ATOM 0 HB2 ALA A 98 36.526 24.086 28.628 1.00 0.00 H new ATOM 0 HB3 ALA A 98 36.902 23.066 27.219 1.00 0.00 H new ATOM 683 N ALA A 99 35.456 23.278 24.788 1.00 0.00 N ATOM 684 CA ALA A 99 35.554 23.176 23.346 1.00 0.00 C ATOM 685 C ALA A 99 34.354 23.851 22.697 1.00 0.00 C ATOM 686 O ALA A 99 34.517 24.718 21.842 1.00 0.00 O ATOM 687 CB ALA A 99 35.627 21.705 22.945 1.00 0.00 C ATOM 0 H ALA A 99 35.476 22.381 25.274 1.00 0.00 H new ATOM 0 HA ALA A 99 36.458 23.679 23.004 1.00 0.00 H new ATOM 0 HB1 ALA A 99 35.701 21.627 21.860 1.00 0.00 H new ATOM 0 HB2 ALA A 99 36.504 21.246 23.402 1.00 0.00 H new ATOM 0 HB3 ALA A 99 34.729 21.190 23.286 1.00 0.00 H new ATOM 690 N ASN A 100 33.148 23.454 23.110 1.00 0.00 N ATOM 691 CA ASN A 100 31.931 24.021 22.564 1.00 0.00 C ATOM 692 C ASN A 100 31.943 25.535 22.725 1.00 0.00 C ATOM 693 O ASN A 100 31.234 26.238 22.008 1.00 0.00 O ATOM 694 CB ASN A 100 30.719 23.416 23.265 1.00 0.00 C ATOM 0 H ASN A 100 32.997 22.740 23.823 1.00 0.00 H new ATOM 0 HA ASN A 100 31.871 23.788 21.501 1.00 0.00 H new ATOM 697 N ALA A 101 32.751 26.039 23.663 1.00 0.00 N ATOM 698 CA ALA A 101 32.843 27.466 23.902 1.00 0.00 C ATOM 699 C ALA A 101 33.421 28.162 22.678 1.00 0.00 C ATOM 700 O ALA A 101 32.700 28.403 21.713 1.00 0.00 O ATOM 701 CB ALA A 101 33.688 27.739 25.143 1.00 0.00 C ATOM 0 H ALA A 101 33.348 25.472 24.265 1.00 0.00 H new ATOM 0 HA ALA A 101 31.845 27.865 24.081 1.00 0.00 H new ATOM 0 HB1 ALA A 101 33.750 28.814 25.312 1.00 0.00 H new ATOM 0 HB2 ALA A 101 33.228 27.261 26.008 1.00 0.00 H new ATOM 0 HB3 ALA A 101 34.690 27.337 24.996 1.00 0.00 H new ATOM 704 N GLY A 102 34.715 28.500 22.715 1.00 0.00 N ATOM 705 CA GLY A 102 35.371 29.182 21.616 1.00 0.00 C ATOM 706 C GLY A 102 35.781 28.228 20.502 1.00 0.00 C ATOM 707 O GLY A 102 35.288 28.352 19.383 1.00 0.00 O ATOM 0 H GLY A 102 35.326 28.305 23.508 1.00 0.00 H new ATOM 0 HA2 GLY A 102 34.702 29.942 21.212 1.00 0.00 H new ATOM 0 HA3 GLY A 102 36.254 29.701 21.989 1.00 0.00 H new ATOM 711 N ASP A 103 36.680 27.282 20.800 1.00 0.00 N ATOM 712 CA ASP A 103 37.166 26.345 19.801 1.00 0.00 C ATOM 713 C ASP A 103 38.313 25.495 20.341 1.00 0.00 C ATOM 714 O ASP A 103 38.390 25.235 21.540 1.00 0.00 O ATOM 715 CB ASP A 103 37.632 27.116 18.568 1.00 0.00 C ATOM 0 H ASP A 103 37.081 27.152 21.729 1.00 0.00 H new ATOM 0 HA ASP A 103 36.349 25.674 19.536 1.00 0.00 H new ATOM 718 N GLY A 104 39.199 25.071 19.433 1.00 0.00 N ATOM 719 CA GLY A 104 40.347 24.241 19.764 1.00 0.00 C ATOM 720 C GLY A 104 41.120 24.780 20.962 1.00 0.00 C ATOM 721 O GLY A 104 41.871 24.044 21.596 1.00 0.00 O ATOM 0 H GLY A 104 39.133 25.300 18.441 1.00 0.00 H new ATOM 0 HA2 GLY A 104 40.010 23.226 19.977 1.00 0.00 H new ATOM 0 HA3 GLY A 104 41.011 24.182 18.902 1.00 0.00 H new ATOM 725 N ALA A 105 40.952 26.068 21.260 1.00 0.00 N ATOM 726 CA ALA A 105 41.630 26.674 22.391 1.00 0.00 C ATOM 727 C ALA A 105 41.151 26.033 23.690 1.00 0.00 C ATOM 728 O ALA A 105 41.867 25.246 24.312 1.00 0.00 O ATOM 729 CB ALA A 105 41.363 28.177 22.398 1.00 0.00 C ATOM 0 H ALA A 105 40.354 26.704 20.733 1.00 0.00 H new ATOM 0 HA ALA A 105 42.704 26.509 22.305 1.00 0.00 H new ATOM 0 HB1 ALA A 105 41.872 28.633 23.247 1.00 0.00 H new ATOM 0 HB2 ALA A 105 41.735 28.617 21.473 1.00 0.00 H new ATOM 0 HB3 ALA A 105 40.291 28.356 22.479 1.00 0.00 H new ATOM 732 N ALA A 106 39.925 26.371 24.093 1.00 0.00 N ATOM 733 CA ALA A 106 39.348 25.839 25.310 1.00 0.00 C ATOM 734 C ALA A 106 39.315 24.322 25.217 1.00 0.00 C ATOM 735 O ALA A 106 39.558 23.628 26.202 1.00 0.00 O ATOM 736 CB ALA A 106 37.941 26.402 25.494 1.00 0.00 C ATOM 0 H ALA A 106 39.317 27.014 23.586 1.00 0.00 H new ATOM 0 HA ALA A 106 39.949 26.128 26.172 1.00 0.00 H new ATOM 0 HB1 ALA A 106 37.506 26.002 26.410 1.00 0.00 H new ATOM 0 HB2 ALA A 106 37.990 27.489 25.560 1.00 0.00 H new ATOM 0 HB3 ALA A 106 37.321 26.118 24.644 1.00 0.00 H new ATOM 739 N PHE A 107 39.025 23.811 24.018 1.00 0.00 N ATOM 740 CA PHE A 107 38.961 22.384 23.786 1.00 0.00 C ATOM 741 C PHE A 107 40.289 21.729 24.133 1.00 0.00 C ATOM 742 O PHE A 107 40.322 20.762 24.884 1.00 0.00 O ATOM 743 CB PHE A 107 38.613 22.124 22.323 1.00 0.00 C ATOM 0 H PHE A 107 38.831 24.378 23.193 1.00 0.00 H new ATOM 0 HA PHE A 107 38.189 21.953 24.424 1.00 0.00 H new ATOM 746 N GLY A 108 41.384 22.257 23.585 1.00 0.00 N ATOM 747 CA GLY A 108 42.709 21.709 23.809 1.00 0.00 C ATOM 748 C GLY A 108 43.082 21.671 25.286 1.00 0.00 C ATOM 749 O GLY A 108 43.661 20.692 25.754 1.00 0.00 O ATOM 0 H GLY A 108 41.371 23.075 22.976 1.00 0.00 H new ATOM 0 HA2 GLY A 108 42.755 20.700 23.400 1.00 0.00 H new ATOM 0 HA3 GLY A 108 43.442 22.307 23.268 1.00 0.00 H new ATOM 753 N ALA A 109 42.747 22.729 26.026 1.00 0.00 N ATOM 754 CA ALA A 109 43.088 22.792 27.438 1.00 0.00 C ATOM 755 C ALA A 109 42.406 21.665 28.211 1.00 0.00 C ATOM 756 O ALA A 109 43.063 20.786 28.767 1.00 0.00 O ATOM 757 CB ALA A 109 42.678 24.151 27.997 1.00 0.00 C ATOM 0 H ALA A 109 42.245 23.543 25.671 1.00 0.00 H new ATOM 0 HA ALA A 109 44.165 22.668 27.550 1.00 0.00 H new ATOM 0 HB1 ALA A 109 42.933 24.201 29.056 1.00 0.00 H new ATOM 0 HB2 ALA A 109 43.205 24.939 27.460 1.00 0.00 H new ATOM 0 HB3 ALA A 109 41.603 24.285 27.876 1.00 0.00 H new ATOM 760 N ALA A 110 41.074 21.704 28.236 1.00 0.00 N ATOM 761 CA ALA A 110 40.295 20.708 28.949 1.00 0.00 C ATOM 762 C ALA A 110 40.595 19.314 28.405 1.00 0.00 C ATOM 763 O ALA A 110 40.814 18.371 29.167 1.00 0.00 O ATOM 764 CB ALA A 110 38.812 21.037 28.819 1.00 0.00 C ATOM 0 H ALA A 110 40.517 22.419 27.768 1.00 0.00 H new ATOM 0 HA ALA A 110 40.566 20.721 30.005 1.00 0.00 H new ATOM 0 HB1 ALA A 110 38.225 20.290 29.354 1.00 0.00 H new ATOM 0 HB2 ALA A 110 38.619 22.022 29.244 1.00 0.00 H new ATOM 0 HB3 ALA A 110 38.530 21.034 27.766 1.00 0.00 H new ATOM 767 N LEU A 111 40.620 19.188 27.078 1.00 0.00 N ATOM 768 CA LEU A 111 40.876 17.917 26.435 1.00 0.00 C ATOM 769 C LEU A 111 42.296 17.459 26.718 1.00 0.00 C ATOM 770 O LEU A 111 42.599 16.279 26.553 1.00 0.00 O ATOM 771 CB LEU A 111 40.629 18.015 24.933 1.00 0.00 C ATOM 0 H LEU A 111 40.464 19.961 26.431 1.00 0.00 H new ATOM 0 HA LEU A 111 40.188 17.177 26.844 1.00 0.00 H new ATOM 774 N GLN A 112 43.173 18.371 27.152 1.00 0.00 N ATOM 775 CA GLN A 112 44.541 18.037 27.487 1.00 0.00 C ATOM 776 C GLN A 112 44.493 17.434 28.877 1.00 0.00 C ATOM 777 O GLN A 112 45.275 16.545 29.199 1.00 0.00 O ATOM 778 CB GLN A 112 45.396 19.300 27.465 1.00 0.00 C ATOM 0 H GLN A 112 42.944 19.357 27.277 1.00 0.00 H new ATOM 0 HA GLN A 112 44.982 17.337 26.777 1.00 0.00 H new ATOM 781 N LYS A 113 43.554 17.917 29.695 1.00 0.00 N ATOM 782 CA LYS A 113 43.361 17.369 31.020 1.00 0.00 C ATOM 783 C LYS A 113 43.032 15.898 30.815 1.00 0.00 C ATOM 784 O LYS A 113 43.560 15.026 31.503 1.00 0.00 O ATOM 785 CB LYS A 113 42.216 18.098 31.717 1.00 0.00 C ATOM 0 H LYS A 113 42.924 18.682 29.456 1.00 0.00 H new ATOM 0 HA LYS A 113 44.244 17.486 31.649 1.00 0.00 H new ATOM 788 N LEU A 114 42.178 15.634 29.822 1.00 0.00 N ATOM 789 CA LEU A 114 41.797 14.278 29.474 1.00 0.00 C ATOM 790 C LEU A 114 42.993 13.595 28.823 1.00 0.00 C ATOM 791 O LEU A 114 43.168 12.383 28.941 1.00 0.00 O ATOM 792 CB LEU A 114 40.629 14.317 28.493 1.00 0.00 C ATOM 0 H LEU A 114 41.739 16.353 29.246 1.00 0.00 H new ATOM 0 HA LEU A 114 41.494 13.729 30.365 1.00 0.00 H new ATOM 795 N GLY A 115 43.821 14.395 28.147 1.00 0.00 N ATOM 796 CA GLY A 115 44.985 13.900 27.442 1.00 0.00 C ATOM 797 C GLY A 115 45.993 13.285 28.400 1.00 0.00 C ATOM 798 O GLY A 115 46.396 12.138 28.218 1.00 0.00 O ATOM 0 H GLY A 115 43.695 15.405 28.079 1.00 0.00 H new ATOM 0 HA2 GLY A 115 44.678 13.156 26.707 1.00 0.00 H new ATOM 0 HA3 GLY A 115 45.454 14.716 26.892 1.00 0.00 H new ATOM 802 N GLY A 116 46.409 14.040 29.420 1.00 0.00 N ATOM 803 CA GLY A 116 47.379 13.570 30.385 1.00 0.00 C ATOM 804 C GLY A 116 46.718 12.616 31.363 1.00 0.00 C ATOM 805 O GLY A 116 47.397 11.823 32.008 1.00 0.00 O ATOM 0 H GLY A 116 46.078 14.990 29.591 1.00 0.00 H new ATOM 0 HA2 GLY A 116 48.200 13.068 29.873 1.00 0.00 H new ATOM 0 HA3 GLY A 116 47.808 14.415 30.923 1.00 0.00 H new ATOM 809 N THR A 117 45.391 12.680 31.480 1.00 0.00 N ATOM 810 CA THR A 117 44.684 11.784 32.368 1.00 0.00 C ATOM 811 C THR A 117 44.958 10.361 31.902 1.00 0.00 C ATOM 812 O THR A 117 45.581 9.574 32.613 1.00 0.00 O ATOM 813 CB THR A 117 43.190 12.096 32.331 1.00 0.00 C ATOM 0 H THR A 117 44.798 13.338 30.974 1.00 0.00 H new ATOM 0 HA THR A 117 45.022 11.905 33.397 1.00 0.00 H new ATOM 816 N CYS A 118 44.507 10.043 30.686 1.00 0.00 N ATOM 817 CA CYS A 118 44.701 8.725 30.117 1.00 0.00 C ATOM 818 C CYS A 118 46.177 8.487 29.829 1.00 0.00 C ATOM 819 O CYS A 118 46.697 7.407 30.102 1.00 0.00 O ATOM 820 CB CYS A 118 43.876 8.601 28.839 1.00 0.00 C ATOM 0 H CYS A 118 44.003 10.691 30.080 1.00 0.00 H new ATOM 0 HA CYS A 118 44.370 7.969 30.829 1.00 0.00 H new ATOM 823 N LYS A 119 46.855 9.498 29.280 1.00 0.00 N ATOM 824 CA LYS A 119 48.262 9.392 28.945 1.00 0.00 C ATOM 825 C LYS A 119 49.086 9.013 30.167 1.00 0.00 C ATOM 826 O LYS A 119 49.739 7.972 30.172 1.00 0.00 O ATOM 827 CB LYS A 119 48.743 10.719 28.363 1.00 0.00 C ATOM 0 H LYS A 119 46.440 10.404 29.060 1.00 0.00 H new ATOM 0 HA LYS A 119 48.391 8.604 28.203 1.00 0.00 H new ATOM 830 N ALA A 120 49.064 9.864 31.197 1.00 0.00 N ATOM 831 CA ALA A 120 49.818 9.624 32.414 1.00 0.00 C ATOM 832 C ALA A 120 49.496 8.249 32.978 1.00 0.00 C ATOM 833 O ALA A 120 50.398 7.543 33.421 1.00 0.00 O ATOM 834 CB ALA A 120 49.510 10.711 33.439 1.00 0.00 C ATOM 0 H ALA A 120 48.525 10.730 31.204 1.00 0.00 H new ATOM 0 HA ALA A 120 50.882 9.654 32.181 1.00 0.00 H new ATOM 0 HB1 ALA A 120 50.079 10.524 34.350 1.00 0.00 H new ATOM 0 HB2 ALA A 120 49.786 11.684 33.032 1.00 0.00 H new ATOM 0 HB3 ALA A 120 48.445 10.703 33.669 1.00 0.00 H new ATOM 837 N CYS A 121 48.215 7.870 32.964 1.00 0.00 N ATOM 838 CA CYS A 121 47.796 6.576 33.468 1.00 0.00 C ATOM 839 C CYS A 121 48.600 5.462 32.807 1.00 0.00 C ATOM 840 O CYS A 121 49.067 4.545 33.481 1.00 0.00 O ATOM 841 CB CYS A 121 46.304 6.391 33.204 1.00 0.00 C ATOM 0 H CYS A 121 47.455 8.448 32.607 1.00 0.00 H new ATOM 0 HA CYS A 121 47.977 6.531 34.542 1.00 0.00 H new ATOM 844 N HIS A 122 48.775 5.552 31.486 1.00 0.00 N ATOM 845 CA HIS A 122 49.508 4.550 30.737 1.00 0.00 C ATOM 846 C HIS A 122 51.011 4.708 30.934 1.00 0.00 C ATOM 847 O HIS A 122 51.684 3.768 31.352 1.00 0.00 O ATOM 848 CB HIS A 122 49.148 4.664 29.258 1.00 0.00 C ATOM 0 H HIS A 122 48.413 6.318 30.917 1.00 0.00 H new ATOM 0 HA HIS A 122 49.230 3.562 31.104 1.00 0.00 H new ATOM 851 N ASP A 123 51.538 5.895 30.627 1.00 0.00 N ATOM 852 CA ASP A 123 52.958 6.168 30.752 1.00 0.00 C ATOM 853 C ASP A 123 53.449 5.847 32.157 1.00 0.00 C ATOM 854 O ASP A 123 54.615 5.505 32.342 1.00 0.00 O ATOM 855 CB ASP A 123 53.220 7.634 30.416 1.00 0.00 C ATOM 0 H ASP A 123 50.990 6.685 30.287 1.00 0.00 H new ATOM 0 HA ASP A 123 53.505 5.533 30.055 1.00 0.00 H new ATOM 858 N ASP A 124 52.557 5.948 33.144 1.00 0.00 N ATOM 859 CA ASP A 124 52.905 5.671 34.524 1.00 0.00 C ATOM 860 C ASP A 124 52.970 4.166 34.731 1.00 0.00 C ATOM 861 O ASP A 124 53.945 3.654 35.277 1.00 0.00 O ATOM 862 CB ASP A 124 51.867 6.298 35.450 1.00 0.00 C ATOM 0 H ASP A 124 51.584 6.222 33.004 1.00 0.00 H new ATOM 0 HA ASP A 124 53.879 6.101 34.756 1.00 0.00 H new ATOM 865 N TYR A 125 51.928 3.460 34.288 1.00 0.00 N ATOM 866 CA TYR A 125 51.867 2.019 34.422 1.00 0.00 C ATOM 867 C TYR A 125 53.032 1.377 33.682 1.00 0.00 C ATOM 868 O TYR A 125 54.120 1.239 34.237 1.00 0.00 O ATOM 869 CB TYR A 125 50.536 1.522 33.869 1.00 0.00 C ATOM 0 H TYR A 125 51.115 3.874 33.832 1.00 0.00 H new ATOM 0 HA TYR A 125 51.940 1.743 35.474 1.00 0.00 H new ATOM 872 N ARG A 126 52.798 0.975 32.430 1.00 0.00 N ATOM 873 CA ARG A 126 53.822 0.347 31.618 1.00 0.00 C ATOM 874 C ARG A 126 53.220 -0.131 30.304 1.00 0.00 C ATOM 875 O ARG A 126 53.308 -1.312 29.974 1.00 0.00 O ATOM 876 CB ARG A 126 54.434 -0.825 32.381 1.00 0.00 C ATOM 0 H ARG A 126 51.898 1.078 31.961 1.00 0.00 H new ATOM 0 HA ARG A 126 54.605 1.072 31.398 1.00 0.00 H new ATOM 879 N GLU A 127 52.609 0.789 29.554 1.00 0.00 N ATOM 880 CA GLU A 127 51.997 0.457 28.283 1.00 0.00 C ATOM 881 C GLU A 127 53.074 0.282 27.222 1.00 0.00 C ATOM 882 O GLU A 127 54.248 0.538 27.478 1.00 0.00 O ATOM 883 CB GLU A 127 51.022 1.562 27.885 1.00 0.00 C ATOM 0 H GLU A 127 52.529 1.772 29.814 1.00 0.00 H new ATOM 0 HA GLU A 127 51.448 -0.480 28.373 1.00 0.00 H new ATOM 886 N GLU A 128 52.672 -0.160 26.027 1.00 0.00 N ATOM 887 CA GLU A 128 53.601 -0.366 24.934 1.00 0.00 C ATOM 888 C GLU A 128 54.698 -1.329 25.363 1.00 0.00 C ATOM 889 O GLU A 128 55.874 -0.970 25.369 1.00 0.00 O ATOM 890 CB GLU A 128 54.193 0.976 24.512 1.00 0.00 C ATOM 0 H GLU A 128 51.702 -0.380 25.800 1.00 0.00 H new ATOM 0 HA GLU A 128 53.077 -0.801 24.083 1.00 0.00 H new ATOM 893 N ASP A 129 54.312 -2.556 25.720 1.00 0.00 N ATOM 894 CA ASP A 129 55.262 -3.563 26.147 1.00 0.00 C ATOM 895 C ASP A 129 56.253 -3.843 25.026 1.00 0.00 C ATOM 896 O ASP A 129 55.940 -3.450 23.881 1.00 0.00 O ATOM 897 CB ASP A 129 54.514 -4.834 26.538 1.00 0.00 C ATOM 0 H ASP A 129 53.341 -2.869 25.719 1.00 0.00 H new ATOM 0 HA ASP A 129 55.816 -3.203 27.014 1.00 0.00 H new TER 900 ASP A 129 HETATM 901 FE HEM A 130 43.339 4.409 28.324 1.00 0.00 FE