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 28.341 -14.246 23.035 1.00 0.00 N ATOM 2 CA ALA A 1 29.498 -14.972 23.518 1.00 0.00 C ATOM 3 C ALA A 1 30.429 -15.267 22.351 1.00 0.00 C ATOM 4 O ALA A 1 30.702 -16.427 22.051 1.00 0.00 O ATOM 5 CB ALA A 1 30.207 -14.139 24.581 1.00 0.00 C ATOM 0 H1 ALA A 1 27.702 -14.042 23.830 1.00 0.00 H new ATOM 0 H2 ALA A 1 28.648 -13.353 22.600 1.00 0.00 H new ATOM 0 H3 ALA A 1 27.841 -14.821 22.327 1.00 0.00 H new ATOM 0 HA ALA A 1 29.190 -15.917 23.965 1.00 0.00 H new ATOM 0 HB1 ALA A 1 31.078 -14.682 24.947 1.00 0.00 H new ATOM 0 HB2 ALA A 1 30.526 -13.191 24.148 1.00 0.00 H new ATOM 0 HB3 ALA A 1 29.524 -13.948 25.409 1.00 0.00 H new ATOM 7 N ASP A 2 30.915 -14.213 21.692 1.00 0.00 N ATOM 8 CA ASP A 2 31.810 -14.361 20.562 1.00 0.00 C ATOM 9 C ASP A 2 33.204 -14.729 21.052 1.00 0.00 C ATOM 10 O ASP A 2 33.712 -15.802 20.734 1.00 0.00 O ATOM 11 CB ASP A 2 31.843 -13.060 19.766 1.00 0.00 C ATOM 0 H ASP A 2 30.697 -13.245 21.930 1.00 0.00 H new ATOM 0 HA ASP A 2 31.452 -15.160 19.913 1.00 0.00 H new ATOM 14 N THR A 3 33.821 -13.834 21.827 1.00 0.00 N ATOM 15 CA THR A 3 35.151 -14.063 22.354 1.00 0.00 C ATOM 16 C THR A 3 35.587 -12.859 23.178 1.00 0.00 C ATOM 17 O THR A 3 36.369 -12.036 22.707 1.00 0.00 O ATOM 18 CB THR A 3 36.120 -14.308 21.201 1.00 0.00 C ATOM 0 H THR A 3 33.410 -12.941 22.100 1.00 0.00 H new ATOM 0 HA THR A 3 35.147 -14.942 22.999 1.00 0.00 H new ATOM 21 N LYS A 4 35.078 -12.762 24.409 1.00 0.00 N ATOM 22 CA LYS A 4 35.407 -11.664 25.297 1.00 0.00 C ATOM 23 C LYS A 4 34.754 -10.386 24.789 1.00 0.00 C ATOM 24 O LYS A 4 35.432 -9.506 24.263 1.00 0.00 O ATOM 25 CB LYS A 4 36.922 -11.507 25.389 1.00 0.00 C ATOM 0 H LYS A 4 34.431 -13.442 24.808 1.00 0.00 H new ATOM 0 HA LYS A 4 35.027 -11.873 26.297 1.00 0.00 H new ATOM 28 N GLU A 5 33.433 -10.289 24.955 1.00 0.00 N ATOM 29 CA GLU A 5 32.680 -9.132 24.511 1.00 0.00 C ATOM 30 C GLU A 5 32.841 -7.989 25.505 1.00 0.00 C ATOM 31 O GLU A 5 32.869 -6.824 25.114 1.00 0.00 O ATOM 32 CB GLU A 5 31.210 -9.514 24.370 1.00 0.00 C ATOM 0 H GLU A 5 32.865 -11.010 25.399 1.00 0.00 H new ATOM 0 HA GLU A 5 33.058 -8.799 23.544 1.00 0.00 H new ATOM 35 N VAL A 6 32.952 -8.325 26.793 1.00 0.00 N ATOM 36 CA VAL A 6 33.097 -7.330 27.837 1.00 0.00 C ATOM 37 C VAL A 6 34.406 -6.573 27.676 1.00 0.00 C ATOM 38 O VAL A 6 34.421 -5.345 27.728 1.00 0.00 O ATOM 39 CB VAL A 6 33.030 -8.012 29.201 1.00 0.00 C ATOM 0 H VAL A 6 32.943 -9.288 27.130 1.00 0.00 H new ATOM 0 HA VAL A 6 32.283 -6.609 27.760 1.00 0.00 H new ATOM 42 N LEU A 7 35.508 -7.299 27.477 1.00 0.00 N ATOM 43 CA LEU A 7 36.806 -6.678 27.310 1.00 0.00 C ATOM 44 C LEU A 7 36.847 -5.960 25.969 1.00 0.00 C ATOM 45 O LEU A 7 37.206 -4.789 25.909 1.00 0.00 O ATOM 46 CB LEU A 7 37.896 -7.743 27.391 1.00 0.00 C ATOM 0 H LEU A 7 35.518 -8.318 27.429 1.00 0.00 H new ATOM 0 HA LEU A 7 36.978 -5.950 28.103 1.00 0.00 H new ATOM 49 N GLU A 8 36.481 -6.680 24.905 1.00 0.00 N ATOM 50 CA GLU A 8 36.459 -6.130 23.561 1.00 0.00 C ATOM 51 C GLU A 8 35.701 -4.809 23.527 1.00 0.00 C ATOM 52 O GLU A 8 36.165 -3.838 22.930 1.00 0.00 O ATOM 53 CB GLU A 8 35.823 -7.141 22.611 1.00 0.00 C ATOM 0 H GLU A 8 36.194 -7.657 24.958 1.00 0.00 H new ATOM 0 HA GLU A 8 37.482 -5.932 23.242 1.00 0.00 H new ATOM 56 N ALA A 9 34.540 -4.759 24.183 1.00 0.00 N ATOM 57 CA ALA A 9 33.746 -3.551 24.228 1.00 0.00 C ATOM 58 C ALA A 9 34.585 -2.487 24.907 1.00 0.00 C ATOM 59 O ALA A 9 34.660 -1.355 24.435 1.00 0.00 O ATOM 60 CB ALA A 9 32.452 -3.810 24.995 1.00 0.00 C ATOM 0 H ALA A 9 34.137 -5.548 24.688 1.00 0.00 H new ATOM 0 HA ALA A 9 33.469 -3.221 23.227 1.00 0.00 H new ATOM 0 HB1 ALA A 9 31.858 -2.897 25.026 1.00 0.00 H new ATOM 0 HB2 ALA A 9 31.884 -4.595 24.496 1.00 0.00 H new ATOM 0 HB3 ALA A 9 32.688 -4.123 26.012 1.00 0.00 H new ATOM 63 N ARG A 10 35.233 -2.860 26.012 1.00 0.00 N ATOM 64 CA ARG A 10 36.098 -1.950 26.727 1.00 0.00 C ATOM 65 C ARG A 10 37.198 -1.489 25.782 1.00 0.00 C ATOM 66 O ARG A 10 37.686 -0.367 25.898 1.00 0.00 O ATOM 67 CB ARG A 10 36.687 -2.657 27.944 1.00 0.00 C ATOM 0 H ARG A 10 35.168 -3.791 26.424 1.00 0.00 H new ATOM 0 HA ARG A 10 35.538 -1.083 27.076 1.00 0.00 H new ATOM 70 N GLU A 11 37.579 -2.349 24.832 1.00 0.00 N ATOM 71 CA GLU A 11 38.610 -2.000 23.877 1.00 0.00 C ATOM 72 C GLU A 11 38.101 -0.821 23.068 1.00 0.00 C ATOM 73 O GLU A 11 38.853 0.093 22.739 1.00 0.00 O ATOM 74 CB GLU A 11 38.901 -3.198 22.977 1.00 0.00 C ATOM 0 H GLU A 11 37.186 -3.283 24.712 1.00 0.00 H new ATOM 0 HA GLU A 11 39.539 -1.730 24.379 1.00 0.00 H new ATOM 77 N ALA A 12 36.802 -0.849 22.766 1.00 0.00 N ATOM 78 CA ALA A 12 36.157 0.204 22.005 1.00 0.00 C ATOM 79 C ALA A 12 36.108 1.474 22.844 1.00 0.00 C ATOM 80 O ALA A 12 36.391 2.562 22.349 1.00 0.00 O ATOM 81 CB ALA A 12 34.746 -0.241 21.631 1.00 0.00 C ATOM 0 H ALA A 12 36.175 -1.604 23.045 1.00 0.00 H new ATOM 0 HA ALA A 12 36.719 0.406 21.093 1.00 0.00 H new ATOM 0 HB1 ALA A 12 34.256 0.547 21.059 1.00 0.00 H new ATOM 0 HB2 ALA A 12 34.798 -1.148 21.029 1.00 0.00 H new ATOM 0 HB3 ALA A 12 34.175 -0.440 22.538 1.00 0.00 H new ATOM 84 N TYR A 13 35.754 1.324 24.123 1.00 0.00 N ATOM 85 CA TYR A 13 35.668 2.448 25.034 1.00 0.00 C ATOM 86 C TYR A 13 37.028 3.123 25.137 1.00 0.00 C ATOM 87 O TYR A 13 37.113 4.319 25.414 1.00 0.00 O ATOM 88 CB TYR A 13 35.203 1.956 26.402 1.00 0.00 C ATOM 0 H TYR A 13 35.522 0.425 24.545 1.00 0.00 H new ATOM 0 HA TYR A 13 34.947 3.176 24.661 1.00 0.00 H new ATOM 91 N PHE A 14 38.093 2.356 24.890 1.00 0.00 N ATOM 92 CA PHE A 14 39.443 2.876 24.951 1.00 0.00 C ATOM 93 C PHE A 14 39.702 3.678 23.686 1.00 0.00 C ATOM 94 O PHE A 14 40.314 4.742 23.735 1.00 0.00 O ATOM 95 CB PHE A 14 40.430 1.718 25.074 1.00 0.00 C ATOM 0 H PHE A 14 38.035 1.367 24.645 1.00 0.00 H new ATOM 0 HA PHE A 14 39.569 3.522 25.820 1.00 0.00 H new ATOM 98 N LYS A 15 39.221 3.165 22.552 1.00 0.00 N ATOM 99 CA LYS A 15 39.376 3.838 21.280 1.00 0.00 C ATOM 100 C LYS A 15 38.536 5.106 21.294 1.00 0.00 C ATOM 101 O LYS A 15 38.862 6.079 20.618 1.00 0.00 O ATOM 102 CB LYS A 15 38.933 2.907 20.154 1.00 0.00 C ATOM 0 H LYS A 15 38.719 2.279 22.499 1.00 0.00 H new ATOM 0 HA LYS A 15 40.420 4.103 21.114 1.00 0.00 H new ATOM 105 N SER A 16 37.455 5.093 22.078 1.00 0.00 N ATOM 106 CA SER A 16 36.578 6.240 22.192 1.00 0.00 C ATOM 107 C SER A 16 37.330 7.382 22.862 1.00 0.00 C ATOM 108 O SER A 16 37.605 8.401 22.232 1.00 0.00 O ATOM 109 CB SER A 16 35.341 5.857 22.999 1.00 0.00 C ATOM 0 H SER A 16 37.173 4.292 22.642 1.00 0.00 H new ATOM 0 HA SER A 16 36.257 6.566 21.203 1.00 0.00 H new ATOM 112 N LEU A 17 37.663 7.210 24.144 1.00 0.00 N ATOM 113 CA LEU A 17 38.389 8.226 24.882 1.00 0.00 C ATOM 114 C LEU A 17 39.731 8.474 24.208 1.00 0.00 C ATOM 115 O LEU A 17 40.263 9.582 24.253 1.00 0.00 O ATOM 116 CB LEU A 17 38.584 7.764 26.323 1.00 0.00 C ATOM 0 H LEU A 17 37.438 6.375 24.685 1.00 0.00 H new ATOM 0 HA LEU A 17 37.824 9.158 24.890 1.00 0.00 H new ATOM 119 N GLY A 18 40.267 7.435 23.564 1.00 0.00 N ATOM 120 CA GLY A 18 41.539 7.522 22.881 1.00 0.00 C ATOM 121 C GLY A 18 41.397 8.346 21.610 1.00 0.00 C ATOM 122 O GLY A 18 42.366 8.949 21.153 1.00 0.00 O ATOM 0 H GLY A 18 39.826 6.517 23.507 1.00 0.00 H new ATOM 0 HA2 GLY A 18 42.282 7.976 23.537 1.00 0.00 H new ATOM 0 HA3 GLY A 18 41.898 6.522 22.637 1.00 0.00 H new ATOM 126 N GLY A 19 40.188 8.391 21.041 1.00 0.00 N ATOM 127 CA GLY A 19 39.942 9.150 19.832 1.00 0.00 C ATOM 128 C GLY A 19 39.879 10.625 20.191 1.00 0.00 C ATOM 129 O GLY A 19 40.400 11.470 19.466 1.00 0.00 O ATOM 0 H GLY A 19 39.369 7.906 21.407 1.00 0.00 H new ATOM 0 HA2 GLY A 19 40.734 8.971 19.105 1.00 0.00 H new ATOM 0 HA3 GLY A 19 39.007 8.833 19.370 1.00 0.00 H new ATOM 133 N SER A 20 39.249 10.927 21.329 1.00 0.00 N ATOM 134 CA SER A 20 39.153 12.294 21.801 1.00 0.00 C ATOM 135 C SER A 20 40.572 12.835 21.954 1.00 0.00 C ATOM 136 O SER A 20 40.881 13.900 21.427 1.00 0.00 O ATOM 137 CB SER A 20 38.421 12.316 23.140 1.00 0.00 C ATOM 0 H SER A 20 38.801 10.238 21.934 1.00 0.00 H new ATOM 0 HA SER A 20 38.596 12.913 21.098 1.00 0.00 H new ATOM 140 N MET A 21 41.436 12.094 22.660 1.00 0.00 N ATOM 141 CA MET A 21 42.819 12.477 22.889 1.00 0.00 C ATOM 142 C MET A 21 43.580 12.745 21.591 1.00 0.00 C ATOM 143 O MET A 21 44.299 13.734 21.485 1.00 0.00 O ATOM 144 CB MET A 21 43.510 11.364 23.671 1.00 0.00 C ATOM 0 H MET A 21 41.183 11.204 23.089 1.00 0.00 H new ATOM 0 HA MET A 21 42.820 13.410 23.453 1.00 0.00 H new ATOM 147 N LYS A 22 43.427 11.846 20.618 1.00 0.00 N ATOM 148 CA LYS A 22 44.114 11.971 19.341 1.00 0.00 C ATOM 149 C LYS A 22 43.663 13.243 18.630 1.00 0.00 C ATOM 150 O LYS A 22 44.467 14.126 18.342 1.00 0.00 O ATOM 151 CB LYS A 22 43.824 10.741 18.486 1.00 0.00 C ATOM 0 H LYS A 22 42.830 11.022 20.695 1.00 0.00 H new ATOM 0 HA LYS A 22 45.189 12.036 19.508 1.00 0.00 H new ATOM 154 N ALA A 23 42.359 13.317 18.361 1.00 0.00 N ATOM 155 CA ALA A 23 41.779 14.481 17.707 1.00 0.00 C ATOM 156 C ALA A 23 42.033 15.746 18.536 1.00 0.00 C ATOM 157 O ALA A 23 42.002 16.858 18.014 1.00 0.00 O ATOM 158 CB ALA A 23 40.285 14.252 17.505 1.00 0.00 C ATOM 0 H ALA A 23 41.688 12.583 18.587 1.00 0.00 H new ATOM 0 HA ALA A 23 42.250 14.623 16.735 1.00 0.00 H new ATOM 0 HB1 ALA A 23 39.847 15.122 17.015 1.00 0.00 H new ATOM 0 HB2 ALA A 23 40.133 13.370 16.883 1.00 0.00 H new ATOM 0 HB3 ALA A 23 39.806 14.100 18.472 1.00 0.00 H new ATOM 161 N MET A 24 42.299 15.545 19.829 1.00 0.00 N ATOM 162 CA MET A 24 42.557 16.632 20.756 1.00 0.00 C ATOM 163 C MET A 24 43.994 17.114 20.624 1.00 0.00 C ATOM 164 O MET A 24 44.255 18.314 20.634 1.00 0.00 O ATOM 165 CB MET A 24 42.287 16.172 22.185 1.00 0.00 C ATOM 0 H MET A 24 42.340 14.620 20.256 1.00 0.00 H new ATOM 0 HA MET A 24 41.891 17.461 20.517 1.00 0.00 H new ATOM 168 N THR A 25 44.928 16.168 20.507 1.00 0.00 N ATOM 169 CA THR A 25 46.339 16.482 20.408 1.00 0.00 C ATOM 170 C THR A 25 46.702 16.988 19.020 1.00 0.00 C ATOM 171 O THR A 25 47.569 17.850 18.891 1.00 0.00 O ATOM 172 CB THR A 25 47.154 15.239 20.753 1.00 0.00 C ATOM 0 H THR A 25 44.720 15.170 20.479 1.00 0.00 H new ATOM 0 HA THR A 25 46.569 17.280 21.114 1.00 0.00 H new ATOM 175 N GLY A 26 46.044 16.470 17.979 1.00 0.00 N ATOM 176 CA GLY A 26 46.319 16.870 16.613 1.00 0.00 C ATOM 177 C GLY A 26 45.612 18.185 16.320 1.00 0.00 C ATOM 178 O GLY A 26 46.236 19.150 15.885 1.00 0.00 O ATOM 0 H GLY A 26 45.311 15.766 18.068 1.00 0.00 H new ATOM 0 HA2 GLY A 26 47.393 16.981 16.464 1.00 0.00 H new ATOM 0 HA3 GLY A 26 45.979 16.099 15.921 1.00 0.00 H new ATOM 182 N VAL A 27 44.299 18.214 16.566 1.00 0.00 N ATOM 183 CA VAL A 27 43.510 19.406 16.340 1.00 0.00 C ATOM 184 C VAL A 27 43.963 20.472 17.325 1.00 0.00 C ATOM 185 O VAL A 27 44.153 21.629 16.957 1.00 0.00 O ATOM 186 CB VAL A 27 42.030 19.083 16.526 1.00 0.00 C ATOM 0 H VAL A 27 43.769 17.419 16.922 1.00 0.00 H new ATOM 0 HA VAL A 27 43.649 19.773 15.323 1.00 0.00 H new ATOM 189 N ALA A 28 44.147 20.064 18.582 1.00 0.00 N ATOM 190 CA ALA A 28 44.588 20.961 19.629 1.00 0.00 C ATOM 191 C ALA A 28 45.942 21.560 19.273 1.00 0.00 C ATOM 192 O ALA A 28 46.173 22.743 19.511 1.00 0.00 O ATOM 193 CB ALA A 28 44.672 20.193 20.946 1.00 0.00 C ATOM 0 H ALA A 28 43.993 19.105 18.893 1.00 0.00 H new ATOM 0 HA ALA A 28 43.873 21.777 19.735 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.004 20.864 21.738 1.00 0.00 H new ATOM 0 HB2 ALA A 28 43.690 19.793 21.197 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.383 19.373 20.844 1.00 0.00 H new ATOM 196 N LYS A 29 46.834 20.746 18.699 1.00 0.00 N ATOM 197 CA LYS A 29 48.160 21.194 18.321 1.00 0.00 C ATOM 198 C LYS A 29 48.110 21.946 16.997 1.00 0.00 C ATOM 199 O LYS A 29 49.044 22.671 16.662 1.00 0.00 O ATOM 200 CB LYS A 29 49.084 19.985 18.210 1.00 0.00 C ATOM 0 H LYS A 29 46.650 19.765 18.488 1.00 0.00 H new ATOM 0 HA LYS A 29 48.542 21.874 19.083 1.00 0.00 H new ATOM 203 N ALA A 30 47.020 21.774 16.243 1.00 0.00 N ATOM 204 CA ALA A 30 46.859 22.428 14.959 1.00 0.00 C ATOM 205 C ALA A 30 46.666 23.928 15.149 1.00 0.00 C ATOM 206 O ALA A 30 47.319 24.537 15.993 1.00 0.00 O ATOM 207 CB ALA A 30 45.672 21.807 14.229 1.00 0.00 C ATOM 0 H ALA A 30 46.235 21.180 16.511 1.00 0.00 H new ATOM 0 HA ALA A 30 47.757 22.285 14.358 1.00 0.00 H new ATOM 0 HB1 ALA A 30 45.544 22.294 13.262 1.00 0.00 H new ATOM 0 HB2 ALA A 30 45.854 20.743 14.078 1.00 0.00 H new ATOM 0 HB3 ALA A 30 44.769 21.940 14.824 1.00 0.00 H new ATOM 210 N PHE A 31 45.764 24.525 14.367 1.00 0.00 N ATOM 211 CA PHE A 31 45.502 25.948 14.451 1.00 0.00 C ATOM 212 C PHE A 31 44.470 26.340 13.404 1.00 0.00 C ATOM 213 O PHE A 31 44.807 26.528 12.237 1.00 0.00 O ATOM 214 CB PHE A 31 46.804 26.715 14.239 1.00 0.00 C ATOM 0 H PHE A 31 45.205 24.035 13.668 1.00 0.00 H new ATOM 0 HA PHE A 31 45.106 26.195 15.436 1.00 0.00 H new ATOM 217 N ASP A 32 43.210 26.473 13.825 1.00 0.00 N ATOM 218 CA ASP A 32 42.141 26.843 12.921 1.00 0.00 C ATOM 219 C ASP A 32 40.829 26.968 13.683 1.00 0.00 C ATOM 220 O ASP A 32 40.506 28.047 14.176 1.00 0.00 O ATOM 221 CB ASP A 32 42.026 25.800 11.814 1.00 0.00 C ATOM 0 H ASP A 32 42.914 26.328 14.790 1.00 0.00 H new ATOM 0 HA ASP A 32 42.365 27.810 12.471 1.00 0.00 H new ATOM 224 N ALA A 33 40.087 25.859 13.772 1.00 0.00 N ATOM 225 CA ALA A 33 38.803 25.816 14.450 1.00 0.00 C ATOM 226 C ALA A 33 38.080 24.535 14.060 1.00 0.00 C ATOM 227 O ALA A 33 37.398 23.925 14.880 1.00 0.00 O ATOM 228 CB ALA A 33 37.953 27.021 14.053 1.00 0.00 C ATOM 0 H ALA A 33 40.369 24.965 13.371 1.00 0.00 H new ATOM 0 HA ALA A 33 38.965 25.841 15.528 1.00 0.00 H new ATOM 0 HB1 ALA A 33 36.994 26.975 14.569 1.00 0.00 H new ATOM 0 HB2 ALA A 33 38.471 27.939 14.331 1.00 0.00 H new ATOM 0 HB3 ALA A 33 37.787 27.010 12.976 1.00 0.00 H new ATOM 231 N GLU A 34 38.240 24.130 12.798 1.00 0.00 N ATOM 232 CA GLU A 34 37.595 22.942 12.277 1.00 0.00 C ATOM 233 C GLU A 34 38.057 21.695 13.020 1.00 0.00 C ATOM 234 O GLU A 34 37.232 20.882 13.431 1.00 0.00 O ATOM 235 CB GLU A 34 37.897 22.819 10.786 1.00 0.00 C ATOM 0 H GLU A 34 38.820 24.621 12.117 1.00 0.00 H new ATOM 0 HA GLU A 34 36.519 23.032 12.424 1.00 0.00 H new ATOM 238 N ALA A 35 39.372 21.538 13.193 1.00 0.00 N ATOM 239 CA ALA A 35 39.927 20.381 13.865 1.00 0.00 C ATOM 240 C ALA A 35 39.389 20.266 15.284 1.00 0.00 C ATOM 241 O ALA A 35 38.878 19.212 15.660 1.00 0.00 O ATOM 242 CB ALA A 35 41.449 20.489 13.876 1.00 0.00 C ATOM 0 H ALA A 35 40.070 22.209 12.871 1.00 0.00 H new ATOM 0 HA ALA A 35 39.631 19.481 13.326 1.00 0.00 H new ATOM 0 HB1 ALA A 35 41.872 19.620 14.381 1.00 0.00 H new ATOM 0 HB2 ALA A 35 41.818 20.529 12.851 1.00 0.00 H new ATOM 0 HB3 ALA A 35 41.746 21.395 14.404 1.00 0.00 H new ATOM 245 N ALA A 36 39.521 21.342 16.066 1.00 0.00 N ATOM 246 CA ALA A 36 39.061 21.376 17.444 1.00 0.00 C ATOM 247 C ALA A 36 37.636 20.854 17.556 1.00 0.00 C ATOM 248 O ALA A 36 37.367 19.971 18.368 1.00 0.00 O ATOM 249 CB ALA A 36 39.153 22.805 17.970 1.00 0.00 C ATOM 0 H ALA A 36 39.952 22.212 15.754 1.00 0.00 H new ATOM 0 HA ALA A 36 39.697 20.728 18.046 1.00 0.00 H new ATOM 0 HB1 ALA A 36 38.809 22.835 19.004 1.00 0.00 H new ATOM 0 HB2 ALA A 36 40.188 23.144 17.922 1.00 0.00 H new ATOM 0 HB3 ALA A 36 38.528 23.458 17.360 1.00 0.00 H new ATOM 252 N LYS A 37 36.729 21.403 16.743 1.00 0.00 N ATOM 253 CA LYS A 37 35.341 20.980 16.741 1.00 0.00 C ATOM 254 C LYS A 37 35.260 19.469 16.570 1.00 0.00 C ATOM 255 O LYS A 37 34.529 18.799 17.297 1.00 0.00 O ATOM 256 CB LYS A 37 34.597 21.692 15.614 1.00 0.00 C ATOM 0 H LYS A 37 36.941 22.146 16.077 1.00 0.00 H new ATOM 0 HA LYS A 37 34.876 21.242 17.691 1.00 0.00 H new ATOM 259 N VAL A 38 36.022 18.932 15.615 1.00 0.00 N ATOM 260 CA VAL A 38 36.044 17.506 15.359 1.00 0.00 C ATOM 261 C VAL A 38 36.417 16.753 16.628 1.00 0.00 C ATOM 262 O VAL A 38 35.858 15.693 16.918 1.00 0.00 O ATOM 263 CB VAL A 38 37.042 17.209 14.244 1.00 0.00 C ATOM 0 H VAL A 38 36.634 19.476 15.006 1.00 0.00 H new ATOM 0 HA VAL A 38 35.054 17.176 15.046 1.00 0.00 H new ATOM 266 N GLU A 39 37.352 17.302 17.410 1.00 0.00 N ATOM 267 CA GLU A 39 37.776 16.671 18.638 1.00 0.00 C ATOM 268 C GLU A 39 36.569 16.611 19.551 1.00 0.00 C ATOM 269 O GLU A 39 36.357 15.606 20.219 1.00 0.00 O ATOM 270 CB GLU A 39 38.906 17.479 19.270 1.00 0.00 C ATOM 0 H GLU A 39 37.823 18.183 17.204 1.00 0.00 H new ATOM 0 HA GLU A 39 38.156 15.665 18.457 1.00 0.00 H new ATOM 273 N ALA A 40 35.791 17.697 19.570 1.00 0.00 N ATOM 274 CA ALA A 40 34.579 17.767 20.361 1.00 0.00 C ATOM 275 C ALA A 40 33.701 16.559 20.060 1.00 0.00 C ATOM 276 O ALA A 40 33.190 15.920 20.976 1.00 0.00 O ATOM 277 CB ALA A 40 33.841 19.065 20.049 1.00 0.00 C ATOM 0 H ALA A 40 35.990 18.544 19.037 1.00 0.00 H new ATOM 0 HA ALA A 40 34.829 17.756 21.422 1.00 0.00 H new ATOM 0 HB1 ALA A 40 32.929 19.117 20.644 1.00 0.00 H new ATOM 0 HB2 ALA A 40 34.481 19.914 20.290 1.00 0.00 H new ATOM 0 HB3 ALA A 40 33.585 19.092 18.990 1.00 0.00 H new ATOM 280 N ALA A 41 33.524 16.244 18.774 1.00 0.00 N ATOM 281 CA ALA A 41 32.728 15.102 18.367 1.00 0.00 C ATOM 282 C ALA A 41 33.249 13.841 19.046 1.00 0.00 C ATOM 283 O ALA A 41 32.488 13.111 19.681 1.00 0.00 O ATOM 284 CB ALA A 41 32.784 14.960 16.848 1.00 0.00 C ATOM 0 H ALA A 41 33.927 16.772 18.000 1.00 0.00 H new ATOM 0 HA ALA A 41 31.691 15.251 18.668 1.00 0.00 H new ATOM 0 HB1 ALA A 41 32.186 14.102 16.540 1.00 0.00 H new ATOM 0 HB2 ALA A 41 32.388 15.863 16.383 1.00 0.00 H new ATOM 0 HB3 ALA A 41 33.817 14.813 16.534 1.00 0.00 H new ATOM 287 N LYS A 42 34.555 13.589 18.928 1.00 0.00 N ATOM 288 CA LYS A 42 35.151 12.421 19.550 1.00 0.00 C ATOM 289 C LYS A 42 34.919 12.506 21.053 1.00 0.00 C ATOM 290 O LYS A 42 34.708 11.491 21.716 1.00 0.00 O ATOM 291 CB LYS A 42 36.641 12.373 19.223 1.00 0.00 C ATOM 0 H LYS A 42 35.209 14.177 18.411 1.00 0.00 H new ATOM 0 HA LYS A 42 34.695 11.506 19.171 1.00 0.00 H new ATOM 294 N LEU A 43 34.954 13.737 21.570 1.00 0.00 N ATOM 295 CA LEU A 43 34.723 13.995 22.976 1.00 0.00 C ATOM 296 C LEU A 43 33.379 13.380 23.313 1.00 0.00 C ATOM 297 O LEU A 43 33.313 12.514 24.182 1.00 0.00 O ATOM 298 CB LEU A 43 34.741 15.496 23.251 1.00 0.00 C ATOM 0 H LEU A 43 35.144 14.574 21.019 1.00 0.00 H new ATOM 0 HA LEU A 43 35.505 13.558 23.597 1.00 0.00 H new ATOM 301 N GLU A 44 32.334 13.846 22.615 1.00 0.00 N ATOM 302 CA GLU A 44 30.986 13.322 22.742 1.00 0.00 C ATOM 303 C GLU A 44 31.025 11.807 22.872 1.00 0.00 C ATOM 304 O GLU A 44 30.345 11.248 23.725 1.00 0.00 O ATOM 305 CB GLU A 44 30.164 13.740 21.527 1.00 0.00 C ATOM 0 H GLU A 44 32.412 14.607 21.940 1.00 0.00 H new ATOM 0 HA GLU A 44 30.519 13.728 23.640 1.00 0.00 H new ATOM 308 N LYS A 45 31.828 11.137 22.041 1.00 0.00 N ATOM 309 CA LYS A 45 31.978 9.696 22.136 1.00 0.00 C ATOM 310 C LYS A 45 32.392 9.318 23.557 1.00 0.00 C ATOM 311 O LYS A 45 31.852 8.377 24.135 1.00 0.00 O ATOM 312 CB LYS A 45 33.022 9.227 21.125 1.00 0.00 C ATOM 0 H LYS A 45 32.378 11.573 21.301 1.00 0.00 H new ATOM 0 HA LYS A 45 31.030 9.208 21.910 1.00 0.00 H new ATOM 315 N ILE A 46 33.343 10.069 24.120 1.00 0.00 N ATOM 316 CA ILE A 46 33.808 9.825 25.477 1.00 0.00 C ATOM 317 C ILE A 46 32.668 10.114 26.448 1.00 0.00 C ATOM 318 O ILE A 46 32.413 9.336 27.364 1.00 0.00 O ATOM 319 CB ILE A 46 35.021 10.704 25.773 1.00 0.00 C ATOM 0 H ILE A 46 33.803 10.850 23.652 1.00 0.00 H new ATOM 0 HA ILE A 46 34.112 8.785 25.591 1.00 0.00 H new ATOM 322 N LEU A 47 31.974 11.233 26.222 1.00 0.00 N ATOM 323 CA LEU A 47 30.809 11.575 27.016 1.00 0.00 C ATOM 324 C LEU A 47 29.766 10.637 26.439 1.00 0.00 C ATOM 325 O LEU A 47 28.820 11.067 25.783 1.00 0.00 O ATOM 326 CB LEU A 47 30.436 13.039 26.802 1.00 0.00 C ATOM 0 H LEU A 47 32.204 11.911 25.496 1.00 0.00 H new ATOM 0 HA LEU A 47 30.939 11.469 28.093 1.00 0.00 H new ATOM 329 N ALA A 48 29.995 9.341 26.657 1.00 0.00 N ATOM 330 CA ALA A 48 29.192 8.299 26.057 1.00 0.00 C ATOM 331 C ALA A 48 27.954 8.106 26.919 1.00 0.00 C ATOM 332 O ALA A 48 27.386 9.064 27.440 1.00 0.00 O ATOM 333 CB ALA A 48 30.034 7.030 25.947 1.00 0.00 C ATOM 0 H ALA A 48 30.744 8.994 27.256 1.00 0.00 H new ATOM 0 HA ALA A 48 28.868 8.562 25.050 1.00 0.00 H new ATOM 0 HB1 ALA A 48 29.439 6.236 25.496 1.00 0.00 H new ATOM 0 HB2 ALA A 48 30.908 7.226 25.326 1.00 0.00 H new ATOM 0 HB3 ALA A 48 30.357 6.721 26.941 1.00 0.00 H new ATOM 336 N THR A 49 27.576 6.834 27.082 1.00 0.00 N ATOM 337 CA THR A 49 26.548 6.430 28.015 1.00 0.00 C ATOM 338 C THR A 49 27.302 6.366 29.341 1.00 0.00 C ATOM 339 O THR A 49 28.281 7.086 29.525 1.00 0.00 O ATOM 340 CB THR A 49 25.993 5.064 27.620 1.00 0.00 C ATOM 0 H THR A 49 27.985 6.058 26.561 1.00 0.00 H new ATOM 0 HA THR A 49 25.690 7.101 28.051 1.00 0.00 H new ATOM 343 N ASP A 50 26.893 5.467 30.241 1.00 0.00 N ATOM 344 CA ASP A 50 27.617 5.245 31.481 1.00 0.00 C ATOM 345 C ASP A 50 28.787 4.323 31.148 1.00 0.00 C ATOM 346 O ASP A 50 28.582 3.129 30.942 1.00 0.00 O ATOM 347 CB ASP A 50 26.687 4.594 32.501 1.00 0.00 C ATOM 0 H ASP A 50 26.063 4.885 30.128 1.00 0.00 H new ATOM 0 HA ASP A 50 27.980 6.179 31.910 1.00 0.00 H new ATOM 350 N VAL A 51 30.013 4.858 31.083 1.00 0.00 N ATOM 351 CA VAL A 51 31.169 4.069 30.717 1.00 0.00 C ATOM 352 C VAL A 51 31.585 3.116 31.827 1.00 0.00 C ATOM 353 O VAL A 51 31.975 1.985 31.547 1.00 0.00 O ATOM 354 CB VAL A 51 32.321 5.005 30.361 1.00 0.00 C ATOM 0 H VAL A 51 30.218 5.837 31.282 1.00 0.00 H new ATOM 0 HA VAL A 51 30.905 3.457 29.855 1.00 0.00 H new ATOM 357 N ALA A 52 31.514 3.572 33.081 1.00 0.00 N ATOM 358 CA ALA A 52 31.932 2.761 34.206 1.00 0.00 C ATOM 359 C ALA A 52 33.444 2.646 34.099 1.00 0.00 C ATOM 360 O ALA A 52 34.149 2.594 35.105 1.00 0.00 O ATOM 361 CB ALA A 52 31.256 1.392 34.161 1.00 0.00 C ATOM 0 H ALA A 52 31.170 4.499 33.333 1.00 0.00 H new ATOM 0 HA ALA A 52 31.646 3.208 35.158 1.00 0.00 H new ATOM 0 HB1 ALA A 52 31.582 0.797 35.014 1.00 0.00 H new ATOM 0 HB2 ALA A 52 30.174 1.519 34.200 1.00 0.00 H new ATOM 0 HB3 ALA A 52 31.529 0.882 33.237 1.00 0.00 H new ATOM 364 N PRO A 53 33.929 2.638 32.855 1.00 0.00 N ATOM 365 CA PRO A 53 35.344 2.587 32.556 1.00 0.00 C ATOM 366 C PRO A 53 35.976 1.260 32.944 1.00 0.00 C ATOM 367 O PRO A 53 36.948 1.273 33.696 1.00 0.00 O ATOM 368 CB PRO A 53 36.048 3.739 33.269 1.00 0.00 C ATOM 0 HA PRO A 53 35.461 2.684 31.477 1.00 0.00 H new ATOM 370 N LEU A 54 35.416 0.151 32.431 1.00 0.00 N ATOM 371 CA LEU A 54 35.884 -1.218 32.631 1.00 0.00 C ATOM 372 C LEU A 54 34.856 -2.017 33.423 1.00 0.00 C ATOM 373 O LEU A 54 33.973 -1.434 34.050 1.00 0.00 O ATOM 374 CB LEU A 54 37.266 -1.317 33.274 1.00 0.00 C ATOM 0 H LEU A 54 34.586 0.194 31.839 1.00 0.00 H new ATOM 0 HA LEU A 54 35.996 -1.649 31.636 1.00 0.00 H new ATOM 377 N PHE A 55 34.995 -3.348 33.369 1.00 0.00 N ATOM 378 CA PHE A 55 34.106 -4.283 34.042 1.00 0.00 C ATOM 379 C PHE A 55 34.822 -4.923 35.223 1.00 0.00 C ATOM 380 O PHE A 55 34.919 -4.325 36.292 1.00 0.00 O ATOM 381 CB PHE A 55 33.671 -5.356 33.047 1.00 0.00 C ATOM 0 H PHE A 55 35.742 -3.805 32.846 1.00 0.00 H new ATOM 0 HA PHE A 55 33.229 -3.754 34.415 1.00 0.00 H new ATOM 384 N PRO A 56 35.312 -6.150 35.026 1.00 0.00 N ATOM 385 CA PRO A 56 36.014 -6.879 36.063 1.00 0.00 C ATOM 386 C PRO A 56 36.578 -8.166 35.478 1.00 0.00 C ATOM 387 O PRO A 56 37.725 -8.196 35.039 1.00 0.00 O ATOM 388 CB PRO A 56 37.133 -6.008 36.628 1.00 0.00 C ATOM 0 HA PRO A 56 35.328 -7.132 36.872 1.00 0.00 H new ATOM 390 N ALA A 57 35.774 -9.232 35.477 1.00 0.00 N ATOM 391 CA ALA A 57 36.195 -10.510 34.938 1.00 0.00 C ATOM 392 C ALA A 57 36.396 -10.384 33.436 1.00 0.00 C ATOM 393 O ALA A 57 35.493 -10.693 32.660 1.00 0.00 O ATOM 394 CB ALA A 57 35.140 -11.565 35.256 1.00 0.00 C ATOM 0 H ALA A 57 34.824 -9.226 35.848 1.00 0.00 H new ATOM 0 HA ALA A 57 37.139 -10.813 35.391 1.00 0.00 H new ATOM 0 HB1 ALA A 57 35.454 -12.527 34.852 1.00 0.00 H new ATOM 0 HB2 ALA A 57 35.021 -11.647 36.336 1.00 0.00 H new ATOM 0 HB3 ALA A 57 34.190 -11.276 34.807 1.00 0.00 H new ATOM 397 N GLY A 58 37.587 -9.939 33.028 1.00 0.00 N ATOM 398 CA GLY A 58 37.899 -9.771 31.623 1.00 0.00 C ATOM 399 C GLY A 58 39.097 -8.848 31.460 1.00 0.00 C ATOM 400 O GLY A 58 38.934 -7.673 31.137 1.00 0.00 O ATOM 0 H GLY A 58 38.348 -9.690 33.660 1.00 0.00 H new ATOM 0 HA2 GLY A 58 38.113 -10.740 31.172 1.00 0.00 H new ATOM 0 HA3 GLY A 58 37.038 -9.358 31.098 1.00 0.00 H new ATOM 404 N THR A 59 40.299 -9.384 31.680 1.00 0.00 N ATOM 405 CA THR A 59 41.519 -8.614 31.556 1.00 0.00 C ATOM 406 C THR A 59 41.599 -7.609 32.696 1.00 0.00 C ATOM 407 O THR A 59 41.794 -6.418 32.466 1.00 0.00 O ATOM 408 CB THR A 59 41.551 -7.909 30.203 1.00 0.00 C ATOM 0 H THR A 59 40.444 -10.358 31.947 1.00 0.00 H new ATOM 0 HA THR A 59 42.382 -9.277 31.614 1.00 0.00 H new ATOM 411 N SER A 60 41.440 -8.096 33.928 1.00 0.00 N ATOM 412 CA SER A 60 41.493 -7.252 35.105 1.00 0.00 C ATOM 413 C SER A 60 41.598 -8.128 36.345 1.00 0.00 C ATOM 414 O SER A 60 41.480 -9.348 36.252 1.00 0.00 O ATOM 415 CB SER A 60 40.249 -6.371 35.161 1.00 0.00 C ATOM 0 H SER A 60 41.272 -9.082 34.129 1.00 0.00 H new ATOM 0 HA SER A 60 42.368 -6.603 35.061 1.00 0.00 H new ATOM 418 N SER A 61 41.823 -7.510 37.507 1.00 0.00 N ATOM 419 CA SER A 61 41.948 -8.252 38.747 1.00 0.00 C ATOM 420 C SER A 61 43.111 -9.226 38.625 1.00 0.00 C ATOM 421 O SER A 61 42.923 -10.367 38.208 1.00 0.00 O ATOM 422 CB SER A 61 40.646 -8.997 39.025 1.00 0.00 C ATOM 0 H SER A 61 41.921 -6.500 37.607 1.00 0.00 H new ATOM 0 HA SER A 61 42.141 -7.572 39.577 1.00 0.00 H new ATOM 425 N THR A 62 44.313 -8.775 38.994 1.00 0.00 N ATOM 426 CA THR A 62 45.502 -9.599 38.908 1.00 0.00 C ATOM 427 C THR A 62 45.841 -9.817 37.441 1.00 0.00 C ATOM 428 O THR A 62 45.393 -9.053 36.588 1.00 0.00 O ATOM 429 CB THR A 62 45.264 -10.927 39.622 1.00 0.00 C ATOM 0 H THR A 62 44.479 -7.836 39.356 1.00 0.00 H new ATOM 0 HA THR A 62 46.342 -9.103 39.395 1.00 0.00 H new ATOM 432 N ASP A 63 46.626 -10.859 37.151 1.00 0.00 N ATOM 433 CA ASP A 63 47.021 -11.185 35.793 1.00 0.00 C ATOM 434 C ASP A 63 47.323 -12.673 35.695 1.00 0.00 C ATOM 435 O ASP A 63 48.208 -13.178 36.382 1.00 0.00 O ATOM 436 CB ASP A 63 48.241 -10.356 35.404 1.00 0.00 C ATOM 0 H ASP A 63 47.001 -11.494 37.855 1.00 0.00 H new ATOM 0 HA ASP A 63 46.209 -10.950 35.104 1.00 0.00 H new ATOM 439 N LEU A 64 46.580 -13.373 34.835 1.00 0.00 N ATOM 440 CA LEU A 64 46.762 -14.798 34.646 1.00 0.00 C ATOM 441 C LEU A 64 48.207 -15.087 34.267 1.00 0.00 C ATOM 442 O LEU A 64 48.899 -15.824 34.966 1.00 0.00 O ATOM 443 CB LEU A 64 45.808 -15.293 33.562 1.00 0.00 C ATOM 0 H LEU A 64 45.844 -12.965 34.259 1.00 0.00 H new ATOM 0 HA LEU A 64 46.539 -15.324 35.574 1.00 0.00 H new ATOM 446 N PRO A 65 48.661 -14.503 33.156 1.00 0.00 N ATOM 447 CA PRO A 65 50.018 -14.699 32.687 1.00 0.00 C ATOM 448 C PRO A 65 50.327 -13.698 31.584 1.00 0.00 C ATOM 449 O PRO A 65 51.371 -13.049 31.614 1.00 0.00 O ATOM 450 CB PRO A 65 50.178 -16.129 32.180 1.00 0.00 C ATOM 0 HA PRO A 65 50.719 -14.538 33.506 1.00 0.00 H new ATOM 452 N GLY A 66 49.412 -13.582 30.616 1.00 0.00 N ATOM 453 CA GLY A 66 49.569 -12.665 29.501 1.00 0.00 C ATOM 454 C GLY A 66 48.209 -12.248 28.962 1.00 0.00 C ATOM 455 O GLY A 66 48.067 -12.000 27.766 1.00 0.00 O ATOM 0 H GLY A 66 48.547 -14.123 30.590 1.00 0.00 H new ATOM 0 HA2 GLY A 66 50.126 -11.784 29.822 1.00 0.00 H new ATOM 0 HA3 GLY A 66 50.151 -13.140 28.711 1.00 0.00 H new ATOM 459 N GLN A 67 47.212 -12.172 29.848 1.00 0.00 N ATOM 460 CA GLN A 67 45.871 -11.769 29.471 1.00 0.00 C ATOM 461 C GLN A 67 45.822 -10.250 29.388 1.00 0.00 C ATOM 462 O GLN A 67 46.751 -9.579 29.831 1.00 0.00 O ATOM 463 CB GLN A 67 44.876 -12.285 30.507 1.00 0.00 C ATOM 0 H GLN A 67 47.319 -12.388 30.839 1.00 0.00 H new ATOM 0 HA GLN A 67 45.607 -12.188 28.500 1.00 0.00 H new ATOM 466 N THR A 68 44.746 -9.707 28.814 1.00 0.00 N ATOM 467 CA THR A 68 44.579 -8.274 28.675 1.00 0.00 C ATOM 468 C THR A 68 45.547 -7.736 27.631 1.00 0.00 C ATOM 469 O THR A 68 46.576 -8.350 27.360 1.00 0.00 O ATOM 470 CB THR A 68 44.793 -7.594 30.025 1.00 0.00 C ATOM 0 H THR A 68 43.972 -10.254 28.436 1.00 0.00 H new ATOM 0 HA THR A 68 43.564 -8.058 28.340 1.00 0.00 H new ATOM 473 N GLU A 69 45.206 -6.589 27.038 1.00 0.00 N ATOM 474 CA GLU A 69 46.042 -5.974 26.028 1.00 0.00 C ATOM 475 C GLU A 69 47.434 -5.746 26.597 1.00 0.00 C ATOM 476 O GLU A 69 48.425 -6.180 26.014 1.00 0.00 O ATOM 477 CB GLU A 69 45.415 -4.656 25.583 1.00 0.00 C ATOM 0 H GLU A 69 44.351 -6.073 27.247 1.00 0.00 H new ATOM 0 HA GLU A 69 46.123 -6.629 25.161 1.00 0.00 H new ATOM 480 N ALA A 70 47.504 -5.066 27.743 1.00 0.00 N ATOM 481 CA ALA A 70 48.769 -4.786 28.390 1.00 0.00 C ATOM 482 C ALA A 70 48.542 -3.903 29.608 1.00 0.00 C ATOM 483 O ALA A 70 49.183 -2.864 29.749 1.00 0.00 O ATOM 484 CB ALA A 70 49.709 -4.108 27.398 1.00 0.00 C ATOM 0 H ALA A 70 46.690 -4.701 28.237 1.00 0.00 H new ATOM 0 HA ALA A 70 49.225 -5.719 28.722 1.00 0.00 H new ATOM 0 HB1 ALA A 70 50.661 -3.897 27.885 1.00 0.00 H new ATOM 0 HB2 ALA A 70 49.875 -4.767 26.546 1.00 0.00 H new ATOM 0 HB3 ALA A 70 49.263 -3.175 27.054 1.00 0.00 H new ATOM 487 N LYS A 71 47.625 -4.312 30.488 1.00 0.00 N ATOM 488 CA LYS A 71 47.333 -3.554 31.687 1.00 0.00 C ATOM 489 C LYS A 71 46.415 -4.345 32.610 1.00 0.00 C ATOM 490 O LYS A 71 45.384 -3.832 33.041 1.00 0.00 O ATOM 491 CB LYS A 71 46.699 -2.220 31.305 1.00 0.00 C ATOM 0 H LYS A 71 47.076 -5.166 30.384 1.00 0.00 H new ATOM 0 HA LYS A 71 48.262 -3.363 32.224 1.00 0.00 H new ATOM 494 N ALA A 72 46.793 -5.595 32.895 1.00 0.00 N ATOM 495 CA ALA A 72 46.026 -6.446 33.788 1.00 0.00 C ATOM 496 C ALA A 72 45.820 -5.695 35.094 1.00 0.00 C ATOM 497 O ALA A 72 44.707 -5.650 35.615 1.00 0.00 O ATOM 498 CB ALA A 72 46.772 -7.756 34.018 1.00 0.00 C ATOM 0 H ALA A 72 47.631 -6.035 32.514 1.00 0.00 H new ATOM 0 HA ALA A 72 45.056 -6.689 33.354 1.00 0.00 H new ATOM 0 HB1 ALA A 72 46.193 -8.391 34.688 1.00 0.00 H new ATOM 0 HB2 ALA A 72 46.913 -8.267 33.065 1.00 0.00 H new ATOM 0 HB3 ALA A 72 47.744 -7.548 34.465 1.00 0.00 H new ATOM 501 N ALA A 73 46.907 -5.090 35.584 1.00 0.00 N ATOM 502 CA ALA A 73 46.911 -4.272 36.783 1.00 0.00 C ATOM 503 C ALA A 73 47.074 -2.839 36.300 1.00 0.00 C ATOM 504 O ALA A 73 48.041 -2.551 35.597 1.00 0.00 O ATOM 505 CB ALA A 73 48.087 -4.678 37.667 1.00 0.00 C ATOM 0 H ALA A 73 47.824 -5.162 35.143 1.00 0.00 H new ATOM 0 HA ALA A 73 46.000 -4.389 37.370 1.00 0.00 H new ATOM 0 HB1 ALA A 73 48.093 -4.065 38.569 1.00 0.00 H new ATOM 0 HB2 ALA A 73 47.990 -5.728 37.942 1.00 0.00 H new ATOM 0 HB3 ALA A 73 49.020 -4.531 37.122 1.00 0.00 H new ATOM 508 N ILE A 74 46.139 -1.952 36.660 1.00 0.00 N ATOM 509 CA ILE A 74 46.147 -0.559 36.250 1.00 0.00 C ATOM 510 C ILE A 74 46.693 0.299 37.385 1.00 0.00 C ATOM 511 O ILE A 74 47.044 1.457 37.168 1.00 0.00 O ATOM 512 CB ILE A 74 44.718 -0.137 35.923 1.00 0.00 C ATOM 0 H ILE A 74 45.346 -2.195 37.254 1.00 0.00 H new ATOM 0 HA ILE A 74 46.779 -0.430 35.371 1.00 0.00 H new ATOM 515 N TRP A 75 46.757 -0.271 38.593 1.00 0.00 N ATOM 516 CA TRP A 75 47.250 0.417 39.769 1.00 0.00 C ATOM 517 C TRP A 75 46.216 1.405 40.286 1.00 0.00 C ATOM 518 O TRP A 75 46.142 2.530 39.795 1.00 0.00 O ATOM 519 CB TRP A 75 48.579 1.103 39.464 1.00 0.00 C ATOM 0 H TRP A 75 46.463 -1.231 38.773 1.00 0.00 H new ATOM 0 HA TRP A 75 47.425 -0.316 40.557 1.00 0.00 H new ATOM 522 N ALA A 76 45.453 0.972 41.297 1.00 0.00 N ATOM 523 CA ALA A 76 44.403 1.764 41.913 1.00 0.00 C ATOM 524 C ALA A 76 43.483 0.832 42.697 1.00 0.00 C ATOM 525 O ALA A 76 43.951 -0.069 43.391 1.00 0.00 O ATOM 526 CB ALA A 76 43.619 2.520 40.842 1.00 0.00 C ATOM 0 H ALA A 76 45.556 0.045 41.710 1.00 0.00 H new ATOM 0 HA ALA A 76 44.839 2.497 42.591 1.00 0.00 H new ATOM 0 HB1 ALA A 76 42.834 3.111 41.315 1.00 0.00 H new ATOM 0 HB2 ALA A 76 44.292 3.181 40.297 1.00 0.00 H new ATOM 0 HB3 ALA A 76 43.170 1.808 40.149 1.00 0.00 H new ATOM 529 N ASN A 77 42.172 1.047 42.570 1.00 0.00 N ATOM 530 CA ASN A 77 41.161 0.242 43.226 1.00 0.00 C ATOM 531 C ASN A 77 39.847 0.635 42.571 1.00 0.00 C ATOM 532 O ASN A 77 39.820 1.644 41.875 1.00 0.00 O ATOM 533 CB ASN A 77 41.148 0.543 44.722 1.00 0.00 C ATOM 0 H ASN A 77 41.786 1.798 41.998 1.00 0.00 H new ATOM 0 HA ASN A 77 41.347 -0.827 43.124 1.00 0.00 H new ATOM 536 N MET A 78 38.788 -0.160 42.747 1.00 0.00 N ATOM 537 CA MET A 78 37.486 0.137 42.166 1.00 0.00 C ATOM 538 C MET A 78 37.108 1.606 42.336 1.00 0.00 C ATOM 539 O MET A 78 36.591 2.226 41.410 1.00 0.00 O ATOM 540 CB MET A 78 36.434 -0.762 42.810 1.00 0.00 C ATOM 0 H MET A 78 38.813 -1.021 43.293 1.00 0.00 H new ATOM 0 HA MET A 78 37.535 -0.058 41.095 1.00 0.00 H new ATOM 543 N ASP A 79 37.386 2.165 43.516 1.00 0.00 N ATOM 544 CA ASP A 79 37.074 3.554 43.801 1.00 0.00 C ATOM 545 C ASP A 79 37.948 4.514 42.998 1.00 0.00 C ATOM 546 O ASP A 79 37.434 5.295 42.200 1.00 0.00 O ATOM 547 CB ASP A 79 37.235 3.809 45.297 1.00 0.00 C ATOM 0 H ASP A 79 37.829 1.668 44.289 1.00 0.00 H new ATOM 0 HA ASP A 79 36.042 3.740 43.503 1.00 0.00 H new ATOM 550 N ASP A 80 39.264 4.463 43.226 1.00 0.00 N ATOM 551 CA ASP A 80 40.206 5.340 42.548 1.00 0.00 C ATOM 552 C ASP A 80 40.010 5.281 41.039 1.00 0.00 C ATOM 553 O ASP A 80 39.963 6.312 40.370 1.00 0.00 O ATOM 554 CB ASP A 80 41.630 4.937 42.922 1.00 0.00 C ATOM 0 H ASP A 80 39.698 3.815 43.883 1.00 0.00 H new ATOM 0 HA ASP A 80 40.028 6.367 42.865 1.00 0.00 H new ATOM 557 N PHE A 81 39.892 4.062 40.513 1.00 0.00 N ATOM 558 CA PHE A 81 39.686 3.848 39.097 1.00 0.00 C ATOM 559 C PHE A 81 38.449 4.621 38.671 1.00 0.00 C ATOM 560 O PHE A 81 38.493 5.368 37.695 1.00 0.00 O ATOM 561 CB PHE A 81 39.521 2.356 38.822 1.00 0.00 C ATOM 0 H PHE A 81 39.938 3.203 41.062 1.00 0.00 H new ATOM 0 HA PHE A 81 40.545 4.202 38.526 1.00 0.00 H new ATOM 564 N GLY A 82 37.349 4.441 39.409 1.00 0.00 N ATOM 565 CA GLY A 82 36.111 5.139 39.132 1.00 0.00 C ATOM 566 C GLY A 82 36.380 6.634 39.064 1.00 0.00 C ATOM 567 O GLY A 82 35.817 7.327 38.219 1.00 0.00 O ATOM 0 H GLY A 82 37.302 3.809 40.208 1.00 0.00 H new ATOM 0 HA2 GLY A 82 35.687 4.791 38.190 1.00 0.00 H new ATOM 0 HA3 GLY A 82 35.378 4.925 39.910 1.00 0.00 H new ATOM 571 N ALA A 83 37.253 7.126 39.949 1.00 0.00 N ATOM 572 CA ALA A 83 37.614 8.528 39.977 1.00 0.00 C ATOM 573 C ALA A 83 38.092 8.967 38.600 1.00 0.00 C ATOM 574 O ALA A 83 37.436 9.792 37.971 1.00 0.00 O ATOM 575 CB ALA A 83 38.701 8.752 41.024 1.00 0.00 C ATOM 0 H ALA A 83 37.721 6.560 40.657 1.00 0.00 H new ATOM 0 HA ALA A 83 36.742 9.126 40.244 1.00 0.00 H new ATOM 0 HB1 ALA A 83 38.973 9.807 41.046 1.00 0.00 H new ATOM 0 HB2 ALA A 83 38.329 8.453 42.004 1.00 0.00 H new ATOM 0 HB3 ALA A 83 39.578 8.156 40.771 1.00 0.00 H new ATOM 578 N LYS A 84 39.235 8.426 38.156 1.00 0.00 N ATOM 579 CA LYS A 84 39.816 8.751 36.858 1.00 0.00 C ATOM 580 C LYS A 84 38.755 8.748 35.765 1.00 0.00 C ATOM 581 O LYS A 84 38.813 9.543 34.832 1.00 0.00 O ATOM 582 CB LYS A 84 40.920 7.749 36.536 1.00 0.00 C ATOM 0 H LYS A 84 39.779 7.750 38.692 1.00 0.00 H new ATOM 0 HA LYS A 84 40.238 9.755 36.902 1.00 0.00 H new ATOM 585 N GLY A 85 37.800 7.831 35.904 1.00 0.00 N ATOM 586 CA GLY A 85 36.694 7.729 34.973 1.00 0.00 C ATOM 587 C GLY A 85 36.025 9.094 34.895 1.00 0.00 C ATOM 588 O GLY A 85 36.181 9.805 33.903 1.00 0.00 O ATOM 0 H GLY A 85 37.776 7.147 36.660 1.00 0.00 H new ATOM 0 HA2 GLY A 85 37.049 7.421 33.990 1.00 0.00 H new ATOM 0 HA3 GLY A 85 35.983 6.973 35.306 1.00 0.00 H new ATOM 592 N LYS A 86 35.275 9.429 35.949 1.00 0.00 N ATOM 593 CA LYS A 86 34.600 10.711 36.054 1.00 0.00 C ATOM 594 C LYS A 86 35.529 11.859 35.659 1.00 0.00 C ATOM 595 O LYS A 86 35.132 12.739 34.899 1.00 0.00 O ATOM 596 CB LYS A 86 34.095 10.899 37.482 1.00 0.00 C ATOM 0 H LYS A 86 35.123 8.815 36.749 1.00 0.00 H new ATOM 0 HA LYS A 86 33.755 10.721 35.365 1.00 0.00 H new ATOM 599 N ALA A 87 36.764 11.838 36.174 1.00 0.00 N ATOM 600 CA ALA A 87 37.739 12.874 35.882 1.00 0.00 C ATOM 601 C ALA A 87 37.892 13.031 34.377 1.00 0.00 C ATOM 602 O ALA A 87 37.878 14.146 33.851 1.00 0.00 O ATOM 603 CB ALA A 87 39.074 12.509 36.525 1.00 0.00 C ATOM 0 H ALA A 87 37.105 11.107 36.798 1.00 0.00 H new ATOM 0 HA ALA A 87 37.399 13.825 36.293 1.00 0.00 H new ATOM 0 HB1 ALA A 87 39.807 13.285 36.307 1.00 0.00 H new ATOM 0 HB2 ALA A 87 38.947 12.423 37.604 1.00 0.00 H new ATOM 0 HB3 ALA A 87 39.423 11.557 36.124 1.00 0.00 H new ATOM 606 N MET A 88 38.024 11.894 33.692 1.00 0.00 N ATOM 607 CA MET A 88 38.164 11.861 32.256 1.00 0.00 C ATOM 608 C MET A 88 37.002 12.625 31.654 1.00 0.00 C ATOM 609 O MET A 88 37.206 13.469 30.786 1.00 0.00 O ATOM 610 CB MET A 88 38.176 10.413 31.775 1.00 0.00 C ATOM 0 H MET A 88 38.035 10.973 34.130 1.00 0.00 H new ATOM 0 HA MET A 88 39.101 12.323 31.947 1.00 0.00 H new ATOM 613 N HIS A 89 35.781 12.351 32.124 1.00 0.00 N ATOM 614 CA HIS A 89 34.599 13.039 31.650 1.00 0.00 C ATOM 615 C HIS A 89 34.691 14.531 31.942 1.00 0.00 C ATOM 616 O HIS A 89 34.197 15.331 31.156 1.00 0.00 O ATOM 617 CB HIS A 89 33.365 12.436 32.316 1.00 0.00 C ATOM 0 H HIS A 89 35.596 11.648 32.840 1.00 0.00 H new ATOM 0 HA HIS A 89 34.521 12.916 30.570 1.00 0.00 H new ATOM 620 N GLU A 90 35.291 14.910 33.076 1.00 0.00 N ATOM 621 CA GLU A 90 35.445 16.320 33.410 1.00 0.00 C ATOM 622 C GLU A 90 36.109 17.046 32.240 1.00 0.00 C ATOM 623 O GLU A 90 35.630 18.078 31.774 1.00 0.00 O ATOM 624 CB GLU A 90 36.284 16.454 34.678 1.00 0.00 C ATOM 0 H GLU A 90 35.672 14.264 33.767 1.00 0.00 H new ATOM 0 HA GLU A 90 34.469 16.770 33.592 1.00 0.00 H new ATOM 627 N ALA A 91 37.207 16.462 31.763 1.00 0.00 N ATOM 628 CA ALA A 91 37.929 17.022 30.623 1.00 0.00 C ATOM 629 C ALA A 91 37.151 16.765 29.325 1.00 0.00 C ATOM 630 O ALA A 91 37.137 17.585 28.414 1.00 0.00 O ATOM 631 CB ALA A 91 39.323 16.409 30.559 1.00 0.00 C ATOM 0 H ALA A 91 37.613 15.608 32.145 1.00 0.00 H new ATOM 0 HA ALA A 91 38.027 18.101 30.744 1.00 0.00 H new ATOM 0 HB1 ALA A 91 39.865 16.825 29.709 1.00 0.00 H new ATOM 0 HB2 ALA A 91 39.862 16.635 31.479 1.00 0.00 H new ATOM 0 HB3 ALA A 91 39.240 15.328 30.443 1.00 0.00 H new ATOM 634 N GLY A 92 36.516 15.597 29.282 1.00 0.00 N ATOM 635 CA GLY A 92 35.725 15.184 28.133 1.00 0.00 C ATOM 636 C GLY A 92 34.685 16.245 27.758 1.00 0.00 C ATOM 637 O GLY A 92 34.741 16.840 26.682 1.00 0.00 O ATOM 0 H GLY A 92 36.537 14.915 30.040 1.00 0.00 H new ATOM 0 HA2 GLY A 92 36.383 15.001 27.283 1.00 0.00 H new ATOM 0 HA3 GLY A 92 35.222 14.243 28.355 1.00 0.00 H new ATOM 641 N GLY A 93 33.738 16.470 28.669 1.00 0.00 N ATOM 642 CA GLY A 93 32.654 17.412 28.473 1.00 0.00 C ATOM 643 C GLY A 93 33.145 18.854 28.470 1.00 0.00 C ATOM 644 O GLY A 93 32.624 19.679 27.724 1.00 0.00 O ATOM 0 H GLY A 93 33.708 15.994 29.571 1.00 0.00 H new ATOM 0 HA2 GLY A 93 32.153 17.197 27.529 1.00 0.00 H new ATOM 0 HA3 GLY A 93 31.914 17.283 29.263 1.00 0.00 H new ATOM 648 N ALA A 94 34.146 19.167 29.298 1.00 0.00 N ATOM 649 CA ALA A 94 34.675 20.514 29.371 1.00 0.00 C ATOM 650 C ALA A 94 35.411 20.853 28.081 1.00 0.00 C ATOM 651 O ALA A 94 35.416 22.005 27.653 1.00 0.00 O ATOM 652 CB ALA A 94 35.611 20.624 30.571 1.00 0.00 C ATOM 0 H ALA A 94 34.600 18.500 29.923 1.00 0.00 H new ATOM 0 HA ALA A 94 33.857 21.224 29.495 1.00 0.00 H new ATOM 0 HB1 ALA A 94 36.011 21.636 30.629 1.00 0.00 H new ATOM 0 HB2 ALA A 94 35.060 20.399 31.484 1.00 0.00 H new ATOM 0 HB3 ALA A 94 36.432 19.916 30.458 1.00 0.00 H new ATOM 655 N VAL A 95 36.028 19.846 27.458 1.00 0.00 N ATOM 656 CA VAL A 95 36.776 20.033 26.231 1.00 0.00 C ATOM 657 C VAL A 95 35.842 20.288 25.060 1.00 0.00 C ATOM 658 O VAL A 95 36.084 21.199 24.272 1.00 0.00 O ATOM 659 CB VAL A 95 37.639 18.804 25.961 1.00 0.00 C ATOM 0 H VAL A 95 36.018 18.884 27.796 1.00 0.00 H new ATOM 0 HA VAL A 95 37.419 20.905 26.346 1.00 0.00 H new ATOM 662 N ILE A 96 34.777 19.493 24.930 1.00 0.00 N ATOM 663 CA ILE A 96 33.834 19.662 23.843 1.00 0.00 C ATOM 664 C ILE A 96 33.008 20.922 24.064 1.00 0.00 C ATOM 665 O ILE A 96 32.671 21.622 23.112 1.00 0.00 O ATOM 666 CB ILE A 96 32.932 18.434 23.762 1.00 0.00 C ATOM 0 H ILE A 96 34.554 18.729 25.568 1.00 0.00 H new ATOM 0 HA ILE A 96 34.374 19.767 22.902 1.00 0.00 H new ATOM 669 N ALA A 97 32.687 21.211 25.327 1.00 0.00 N ATOM 670 CA ALA A 97 31.904 22.382 25.666 1.00 0.00 C ATOM 671 C ALA A 97 32.621 23.642 25.198 1.00 0.00 C ATOM 672 O ALA A 97 32.069 24.424 24.427 1.00 0.00 O ATOM 673 CB ALA A 97 31.674 22.419 27.174 1.00 0.00 C ATOM 0 H ALA A 97 32.962 20.643 26.128 1.00 0.00 H new ATOM 0 HA ALA A 97 30.938 22.334 25.164 1.00 0.00 H new ATOM 0 HB1 ALA A 97 31.085 23.300 27.431 1.00 0.00 H new ATOM 0 HB2 ALA A 97 31.138 21.521 27.482 1.00 0.00 H new ATOM 0 HB3 ALA A 97 32.634 22.463 27.688 1.00 0.00 H new ATOM 676 N ALA A 98 33.856 23.835 25.668 1.00 0.00 N ATOM 677 CA ALA A 98 34.641 25.002 25.313 1.00 0.00 C ATOM 678 C ALA A 98 35.144 24.907 23.877 1.00 0.00 C ATOM 679 O ALA A 98 35.200 25.912 23.173 1.00 0.00 O ATOM 680 CB ALA A 98 35.813 25.132 26.281 1.00 0.00 C ATOM 0 H ALA A 98 34.329 23.189 26.299 1.00 0.00 H new ATOM 0 HA ALA A 98 34.010 25.888 25.384 1.00 0.00 H new ATOM 0 HB1 ALA A 98 36.406 26.008 26.018 1.00 0.00 H new ATOM 0 HB2 ALA A 98 35.435 25.241 27.297 1.00 0.00 H new ATOM 0 HB3 ALA A 98 36.436 24.240 26.220 1.00 0.00 H new ATOM 683 N ALA A 99 35.501 23.698 23.441 1.00 0.00 N ATOM 684 CA ALA A 99 36.013 23.488 22.100 1.00 0.00 C ATOM 685 C ALA A 99 34.957 23.860 21.069 1.00 0.00 C ATOM 686 O ALA A 99 35.209 24.672 20.182 1.00 0.00 O ATOM 687 CB ALA A 99 36.430 22.029 21.942 1.00 0.00 C ATOM 0 H ALA A 99 35.442 22.850 24.005 1.00 0.00 H new ATOM 0 HA ALA A 99 36.882 24.125 21.939 1.00 0.00 H new ATOM 0 HB1 ALA A 99 36.815 21.868 20.935 1.00 0.00 H new ATOM 0 HB2 ALA A 99 37.206 21.791 22.670 1.00 0.00 H new ATOM 0 HB3 ALA A 99 35.567 21.384 22.108 1.00 0.00 H new ATOM 690 N ASN A 100 33.771 23.261 21.192 1.00 0.00 N ATOM 691 CA ASN A 100 32.681 23.521 20.273 1.00 0.00 C ATOM 692 C ASN A 100 32.207 24.960 20.419 1.00 0.00 C ATOM 693 O ASN A 100 32.090 25.680 19.430 1.00 0.00 O ATOM 694 CB ASN A 100 31.541 22.547 20.551 1.00 0.00 C ATOM 0 H ASN A 100 33.548 22.590 21.927 1.00 0.00 H new ATOM 0 HA ASN A 100 33.025 23.378 19.249 1.00 0.00 H new ATOM 697 N ALA A 101 31.938 25.379 21.658 1.00 0.00 N ATOM 698 CA ALA A 101 31.470 26.724 21.926 1.00 0.00 C ATOM 699 C ALA A 101 32.523 27.760 21.550 1.00 0.00 C ATOM 700 O ALA A 101 32.346 28.942 21.838 1.00 0.00 O ATOM 701 CB ALA A 101 31.099 26.846 23.401 1.00 0.00 C ATOM 0 H ALA A 101 32.040 24.796 22.489 1.00 0.00 H new ATOM 0 HA ALA A 101 30.589 26.917 21.314 1.00 0.00 H new ATOM 0 HB1 ALA A 101 30.747 27.857 23.605 1.00 0.00 H new ATOM 0 HB2 ALA A 101 30.310 26.132 23.638 1.00 0.00 H new ATOM 0 HB3 ALA A 101 31.975 26.636 24.015 1.00 0.00 H new ATOM 704 N GLY A 102 33.616 27.320 20.916 1.00 0.00 N ATOM 705 CA GLY A 102 34.687 28.208 20.504 1.00 0.00 C ATOM 706 C GLY A 102 35.665 28.406 21.654 1.00 0.00 C ATOM 707 O GLY A 102 35.355 29.104 22.617 1.00 0.00 O ATOM 0 H GLY A 102 33.774 26.341 20.679 1.00 0.00 H new ATOM 0 HA2 GLY A 102 35.206 27.791 19.641 1.00 0.00 H new ATOM 0 HA3 GLY A 102 34.276 29.169 20.195 1.00 0.00 H new ATOM 711 N ASP A 103 36.848 27.796 21.538 1.00 0.00 N ATOM 712 CA ASP A 103 37.883 27.880 22.553 1.00 0.00 C ATOM 713 C ASP A 103 38.963 26.858 22.228 1.00 0.00 C ATOM 714 O ASP A 103 39.096 25.852 22.920 1.00 0.00 O ATOM 715 CB ASP A 103 37.291 27.606 23.933 1.00 0.00 C ATOM 0 H ASP A 103 37.108 27.229 20.731 1.00 0.00 H new ATOM 0 HA ASP A 103 38.314 28.881 22.562 1.00 0.00 H new ATOM 718 N GLY A 104 39.732 27.116 21.168 1.00 0.00 N ATOM 719 CA GLY A 104 40.787 26.216 20.744 1.00 0.00 C ATOM 720 C GLY A 104 41.806 26.007 21.858 1.00 0.00 C ATOM 721 O GLY A 104 42.458 24.963 21.917 1.00 0.00 O ATOM 0 H GLY A 104 39.636 27.950 20.589 1.00 0.00 H new ATOM 0 HA2 GLY A 104 40.357 25.257 20.454 1.00 0.00 H new ATOM 0 HA3 GLY A 104 41.284 26.622 19.863 1.00 0.00 H new ATOM 725 N ALA A 105 41.927 26.990 22.756 1.00 0.00 N ATOM 726 CA ALA A 105 42.857 26.921 23.863 1.00 0.00 C ATOM 727 C ALA A 105 42.198 26.073 24.938 1.00 0.00 C ATOM 728 O ALA A 105 42.865 25.348 25.673 1.00 0.00 O ATOM 729 CB ALA A 105 43.144 28.329 24.377 1.00 0.00 C ATOM 0 H ALA A 105 41.379 27.850 22.727 1.00 0.00 H new ATOM 0 HA ALA A 105 43.808 26.480 23.564 1.00 0.00 H new ATOM 0 HB1 ALA A 105 43.844 28.276 25.211 1.00 0.00 H new ATOM 0 HB2 ALA A 105 43.578 28.927 23.576 1.00 0.00 H new ATOM 0 HB3 ALA A 105 42.215 28.790 24.712 1.00 0.00 H new ATOM 732 N ALA A 106 40.867 26.173 25.008 1.00 0.00 N ATOM 733 CA ALA A 106 40.085 25.420 25.961 1.00 0.00 C ATOM 734 C ALA A 106 40.102 23.967 25.523 1.00 0.00 C ATOM 735 O ALA A 106 40.060 23.063 26.355 1.00 0.00 O ATOM 736 CB ALA A 106 38.659 25.964 25.996 1.00 0.00 C ATOM 0 H ALA A 106 40.314 26.780 24.402 1.00 0.00 H new ATOM 0 HA ALA A 106 40.499 25.507 26.966 1.00 0.00 H new ATOM 0 HB1 ALA A 106 38.070 25.395 26.715 1.00 0.00 H new ATOM 0 HB2 ALA A 106 38.677 27.013 26.291 1.00 0.00 H new ATOM 0 HB3 ALA A 106 38.210 25.873 25.007 1.00 0.00 H new ATOM 739 N PHE A 107 40.175 23.740 24.208 1.00 0.00 N ATOM 740 CA PHE A 107 40.226 22.403 23.661 1.00 0.00 C ATOM 741 C PHE A 107 41.525 21.748 24.098 1.00 0.00 C ATOM 742 O PHE A 107 41.503 20.783 24.853 1.00 0.00 O ATOM 743 CB PHE A 107 40.133 22.469 22.139 1.00 0.00 C ATOM 0 H PHE A 107 40.200 24.480 23.506 1.00 0.00 H new ATOM 0 HA PHE A 107 39.388 21.810 24.027 1.00 0.00 H new ATOM 746 N GLY A 108 42.661 22.257 23.619 1.00 0.00 N ATOM 747 CA GLY A 108 43.951 21.702 23.990 1.00 0.00 C ATOM 748 C GLY A 108 44.126 21.630 25.506 1.00 0.00 C ATOM 749 O GLY A 108 44.632 20.638 26.031 1.00 0.00 O ATOM 0 H GLY A 108 42.708 23.048 22.977 1.00 0.00 H new ATOM 0 HA2 GLY A 108 44.052 20.703 23.565 1.00 0.00 H new ATOM 0 HA3 GLY A 108 44.746 22.313 23.561 1.00 0.00 H new ATOM 753 N ALA A 109 43.681 22.670 26.214 1.00 0.00 N ATOM 754 CA ALA A 109 43.836 22.740 27.656 1.00 0.00 C ATOM 755 C ALA A 109 42.959 21.715 28.364 1.00 0.00 C ATOM 756 O ALA A 109 43.460 20.854 29.084 1.00 0.00 O ATOM 757 CB ALA A 109 43.496 24.151 28.129 1.00 0.00 C ATOM 0 H ALA A 109 43.209 23.476 25.803 1.00 0.00 H new ATOM 0 HA ALA A 109 44.871 22.507 27.906 1.00 0.00 H new ATOM 0 HB1 ALA A 109 43.611 24.209 29.211 1.00 0.00 H new ATOM 0 HB2 ALA A 109 44.168 24.866 27.654 1.00 0.00 H new ATOM 0 HB3 ALA A 109 42.466 24.387 27.860 1.00 0.00 H new ATOM 760 N ALA A 110 41.645 21.818 28.161 1.00 0.00 N ATOM 761 CA ALA A 110 40.698 20.918 28.790 1.00 0.00 C ATOM 762 C ALA A 110 40.957 19.482 28.349 1.00 0.00 C ATOM 763 O ALA A 110 41.097 18.582 29.177 1.00 0.00 O ATOM 764 CB ALA A 110 39.278 21.344 28.428 1.00 0.00 C ATOM 0 H ALA A 110 41.218 22.523 27.561 1.00 0.00 H new ATOM 0 HA ALA A 110 40.819 20.966 29.872 1.00 0.00 H new ATOM 0 HB1 ALA A 110 38.564 20.669 28.900 1.00 0.00 H new ATOM 0 HB2 ALA A 110 39.102 22.361 28.779 1.00 0.00 H new ATOM 0 HB3 ALA A 110 39.152 21.307 27.346 1.00 0.00 H new ATOM 767 N LEU A 111 41.030 19.270 27.034 1.00 0.00 N ATOM 768 CA LEU A 111 41.256 17.958 26.471 1.00 0.00 C ATOM 769 C LEU A 111 42.626 17.431 26.864 1.00 0.00 C ATOM 770 O LEU A 111 42.838 16.220 26.847 1.00 0.00 O ATOM 771 CB LEU A 111 41.117 18.020 24.952 1.00 0.00 C ATOM 0 H LEU A 111 40.933 20.009 26.338 1.00 0.00 H new ATOM 0 HA LEU A 111 40.509 17.271 26.867 1.00 0.00 H new ATOM 774 N GLN A 112 43.564 18.313 27.230 1.00 0.00 N ATOM 775 CA GLN A 112 44.882 17.891 27.651 1.00 0.00 C ATOM 776 C GLN A 112 44.736 17.341 29.057 1.00 0.00 C ATOM 777 O GLN A 112 45.424 16.395 29.433 1.00 0.00 O ATOM 778 CB GLN A 112 45.834 19.084 27.625 1.00 0.00 C ATOM 0 H GLN A 112 43.423 19.323 27.239 1.00 0.00 H new ATOM 0 HA GLN A 112 45.293 17.130 26.988 1.00 0.00 H new ATOM 781 N LYS A 113 43.818 17.929 29.830 1.00 0.00 N ATOM 782 CA LYS A 113 43.546 17.463 31.173 1.00 0.00 C ATOM 783 C LYS A 113 43.080 16.023 31.038 1.00 0.00 C ATOM 784 O LYS A 113 43.502 15.148 31.791 1.00 0.00 O ATOM 785 CB LYS A 113 42.466 18.334 31.810 1.00 0.00 C ATOM 0 H LYS A 113 43.256 18.729 29.539 1.00 0.00 H new ATOM 0 HA LYS A 113 44.427 17.522 31.812 1.00 0.00 H new ATOM 788 N LEU A 114 42.221 15.786 30.043 1.00 0.00 N ATOM 789 CA LEU A 114 41.730 14.452 29.763 1.00 0.00 C ATOM 790 C LEU A 114 42.899 13.619 29.255 1.00 0.00 C ATOM 791 O LEU A 114 42.950 12.409 29.468 1.00 0.00 O ATOM 792 CB LEU A 114 40.635 14.524 28.701 1.00 0.00 C ATOM 0 H LEU A 114 41.856 16.508 29.422 1.00 0.00 H new ATOM 0 HA LEU A 114 41.311 13.999 30.662 1.00 0.00 H new ATOM 795 N GLY A 115 43.847 14.289 28.593 1.00 0.00 N ATOM 796 CA GLY A 115 45.012 13.634 28.034 1.00 0.00 C ATOM 797 C GLY A 115 45.890 13.045 29.128 1.00 0.00 C ATOM 798 O GLY A 115 46.203 11.856 29.095 1.00 0.00 O ATOM 0 H GLY A 115 43.820 15.296 28.435 1.00 0.00 H new ATOM 0 HA2 GLY A 115 44.696 12.844 27.353 1.00 0.00 H new ATOM 0 HA3 GLY A 115 45.588 14.349 27.447 1.00 0.00 H new ATOM 802 N GLY A 116 46.295 13.870 30.097 1.00 0.00 N ATOM 803 CA GLY A 116 47.148 13.431 31.180 1.00 0.00 C ATOM 804 C GLY A 116 46.376 12.543 32.141 1.00 0.00 C ATOM 805 O GLY A 116 46.975 11.782 32.896 1.00 0.00 O ATOM 0 H GLY A 116 46.036 14.856 30.144 1.00 0.00 H new ATOM 0 HA2 GLY A 116 48.003 12.886 30.779 1.00 0.00 H new ATOM 0 HA3 GLY A 116 47.543 14.296 31.713 1.00 0.00 H new ATOM 809 N THR A 117 45.045 12.631 32.115 1.00 0.00 N ATOM 810 CA THR A 117 44.222 11.813 32.981 1.00 0.00 C ATOM 811 C THR A 117 44.406 10.357 32.578 1.00 0.00 C ATOM 812 O THR A 117 44.889 9.544 33.365 1.00 0.00 O ATOM 813 CB THR A 117 42.762 12.237 32.852 1.00 0.00 C ATOM 0 H THR A 117 44.524 13.260 31.504 1.00 0.00 H new ATOM 0 HA THR A 117 44.516 11.938 34.023 1.00 0.00 H new ATOM 816 N CYS A 118 44.029 10.035 31.339 1.00 0.00 N ATOM 817 CA CYS A 118 44.160 8.687 30.826 1.00 0.00 C ATOM 818 C CYS A 118 45.632 8.300 30.783 1.00 0.00 C ATOM 819 O CYS A 118 45.998 7.200 31.193 1.00 0.00 O ATOM 820 CB CYS A 118 43.540 8.611 29.434 1.00 0.00 C ATOM 0 H CYS A 118 43.630 10.699 30.676 1.00 0.00 H new ATOM 0 HA CYS A 118 43.637 7.989 31.479 1.00 0.00 H new ATOM 823 N LYS A 119 46.477 9.210 30.290 1.00 0.00 N ATOM 824 CA LYS A 119 47.902 8.966 30.190 1.00 0.00 C ATOM 825 C LYS A 119 48.470 8.560 31.543 1.00 0.00 C ATOM 826 O LYS A 119 49.036 7.476 31.668 1.00 0.00 O ATOM 827 CB LYS A 119 48.594 10.224 29.673 1.00 0.00 C ATOM 0 H LYS A 119 46.186 10.128 29.953 1.00 0.00 H new ATOM 0 HA LYS A 119 48.079 8.147 29.492 1.00 0.00 H new ATOM 830 N ALA A 120 48.327 9.440 32.540 1.00 0.00 N ATOM 831 CA ALA A 120 48.819 9.191 33.886 1.00 0.00 C ATOM 832 C ALA A 120 48.412 7.808 34.373 1.00 0.00 C ATOM 833 O ALA A 120 49.236 7.076 34.916 1.00 0.00 O ATOM 834 CB ALA A 120 48.291 10.265 34.832 1.00 0.00 C ATOM 0 H ALA A 120 47.866 10.343 32.429 1.00 0.00 H new ATOM 0 HA ALA A 120 49.908 9.230 33.869 1.00 0.00 H new ATOM 0 HB1 ALA A 120 48.661 10.076 35.840 1.00 0.00 H new ATOM 0 HB2 ALA A 120 48.633 11.244 34.498 1.00 0.00 H new ATOM 0 HB3 ALA A 120 47.201 10.243 34.836 1.00 0.00 H new ATOM 837 N CYS A 121 47.143 7.444 34.174 1.00 0.00 N ATOM 838 CA CYS A 121 46.659 6.142 34.587 1.00 0.00 C ATOM 839 C CYS A 121 47.496 5.056 33.922 1.00 0.00 C ATOM 840 O CYS A 121 48.032 4.177 34.595 1.00 0.00 O ATOM 841 CB CYS A 121 45.188 6.003 34.203 1.00 0.00 C ATOM 0 H CYS A 121 46.441 8.036 33.730 1.00 0.00 H new ATOM 0 HA CYS A 121 46.748 6.037 35.668 1.00 0.00 H new ATOM 844 N HIS A 122 47.614 5.129 32.593 1.00 0.00 N ATOM 845 CA HIS A 122 48.375 4.157 31.834 1.00 0.00 C ATOM 846 C HIS A 122 49.835 4.170 32.267 1.00 0.00 C ATOM 847 O HIS A 122 50.305 3.206 32.866 1.00 0.00 O ATOM 848 CB HIS A 122 48.252 4.468 30.345 1.00 0.00 C ATOM 0 H HIS A 122 47.185 5.860 32.026 1.00 0.00 H new ATOM 0 HA HIS A 122 47.977 3.160 32.023 1.00 0.00 H new ATOM 851 N ASP A 123 50.544 5.257 31.949 1.00 0.00 N ATOM 852 CA ASP A 123 51.947 5.407 32.291 1.00 0.00 C ATOM 853 C ASP A 123 52.189 5.085 33.760 1.00 0.00 C ATOM 854 O ASP A 123 53.302 4.731 34.144 1.00 0.00 O ATOM 855 CB ASP A 123 52.392 6.833 31.976 1.00 0.00 C ATOM 0 H ASP A 123 50.154 6.054 31.447 1.00 0.00 H new ATOM 0 HA ASP A 123 52.532 4.704 31.698 1.00 0.00 H new ATOM 858 N ASP A 124 51.142 5.195 34.579 1.00 0.00 N ATOM 859 CA ASP A 124 51.246 4.910 35.996 1.00 0.00 C ATOM 860 C ASP A 124 51.484 3.421 36.209 1.00 0.00 C ATOM 861 O ASP A 124 52.486 3.031 36.804 1.00 0.00 O ATOM 862 CB ASP A 124 49.968 5.358 36.699 1.00 0.00 C ATOM 0 H ASP A 124 50.211 5.481 34.276 1.00 0.00 H new ATOM 0 HA ASP A 124 52.089 5.456 36.419 1.00 0.00 H new ATOM 865 N TYR A 125 50.561 2.589 35.721 1.00 0.00 N ATOM 866 CA TYR A 125 50.674 1.150 35.869 1.00 0.00 C ATOM 867 C TYR A 125 51.722 0.597 34.911 1.00 0.00 C ATOM 868 O TYR A 125 52.648 -0.090 35.336 1.00 0.00 O ATOM 869 CB TYR A 125 49.317 0.507 35.608 1.00 0.00 C ATOM 0 H TYR A 125 49.727 2.896 35.220 1.00 0.00 H new ATOM 0 HA TYR A 125 50.990 0.917 36.886 1.00 0.00 H new ATOM 872 N ARG A 126 51.562 0.895 33.619 1.00 0.00 N ATOM 873 CA ARG A 126 52.476 0.441 32.588 1.00 0.00 C ATOM 874 C ARG A 126 52.260 -1.040 32.311 1.00 0.00 C ATOM 875 O ARG A 126 51.614 -1.733 33.094 1.00 0.00 O ATOM 876 CB ARG A 126 53.918 0.723 32.999 1.00 0.00 C ATOM 0 H ARG A 126 50.790 1.460 33.266 1.00 0.00 H new ATOM 0 HA ARG A 126 52.276 0.989 31.667 1.00 0.00 H new ATOM 879 N GLU A 127 52.796 -1.519 31.185 1.00 0.00 N ATOM 880 CA GLU A 127 52.663 -2.909 30.796 1.00 0.00 C ATOM 881 C GLU A 127 53.141 -3.818 31.919 1.00 0.00 C ATOM 882 O GLU A 127 52.375 -4.636 32.425 1.00 0.00 O ATOM 883 CB GLU A 127 53.464 -3.157 29.522 1.00 0.00 C ATOM 0 H GLU A 127 53.330 -0.951 30.527 1.00 0.00 H new ATOM 0 HA GLU A 127 51.614 -3.133 30.603 1.00 0.00 H new ATOM 886 N GLU A 128 54.410 -3.677 32.308 1.00 0.00 N ATOM 887 CA GLU A 128 54.978 -4.487 33.366 1.00 0.00 C ATOM 888 C GLU A 128 54.878 -5.959 32.993 1.00 0.00 C ATOM 889 O GLU A 128 54.549 -6.293 31.857 1.00 0.00 O ATOM 890 CB GLU A 128 54.237 -4.210 34.671 1.00 0.00 C ATOM 0 H GLU A 128 55.059 -3.004 31.899 1.00 0.00 H new ATOM 0 HA GLU A 128 56.030 -4.234 33.500 1.00 0.00 H new ATOM 893 N ASP A 129 55.160 -6.841 33.955 1.00 0.00 N ATOM 894 CA ASP A 129 55.101 -8.270 33.724 1.00 0.00 C ATOM 895 C ASP A 129 55.096 -9.007 35.056 1.00 0.00 C ATOM 896 O ASP A 129 54.045 -9.605 35.370 1.00 0.00 O ATOM 897 CB ASP A 129 56.293 -8.697 32.873 1.00 0.00 C ATOM 0 H ASP A 129 55.432 -6.580 34.903 1.00 0.00 H new ATOM 0 HA ASP A 129 54.184 -8.519 33.190 1.00 0.00 H new TER 900 ASP A 129 HETATM 901 FE HEM A 130 42.534 4.208 29.014 1.00 0.00 FE