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 29.882 -18.728 28.980 1.00 0.00 N ATOM 2 CA ALA A 1 30.088 -17.635 28.051 1.00 0.00 C ATOM 3 C ALA A 1 31.150 -18.032 27.036 1.00 0.00 C ATOM 4 O ALA A 1 30.880 -18.077 25.838 1.00 0.00 O ATOM 5 CB ALA A 1 30.513 -16.390 28.824 1.00 0.00 C ATOM 0 H1 ALA A 1 29.157 -18.460 29.676 1.00 0.00 H new ATOM 0 H2 ALA A 1 29.568 -19.572 28.459 1.00 0.00 H new ATOM 0 H3 ALA A 1 30.774 -18.937 29.473 1.00 0.00 H new ATOM 0 HA ALA A 1 29.163 -17.414 27.518 1.00 0.00 H new ATOM 0 HB1 ALA A 1 30.669 -15.565 28.128 1.00 0.00 H new ATOM 0 HB2 ALA A 1 29.734 -16.121 29.537 1.00 0.00 H new ATOM 0 HB3 ALA A 1 31.440 -16.593 29.360 1.00 0.00 H new ATOM 7 N ASP A 2 32.361 -18.321 27.518 1.00 0.00 N ATOM 8 CA ASP A 2 33.456 -18.711 26.654 1.00 0.00 C ATOM 9 C ASP A 2 33.681 -17.641 25.595 1.00 0.00 C ATOM 10 O ASP A 2 33.599 -17.921 24.401 1.00 0.00 O ATOM 11 CB ASP A 2 33.138 -20.055 26.006 1.00 0.00 C ATOM 0 H ASP A 2 32.600 -18.289 28.509 1.00 0.00 H new ATOM 0 HA ASP A 2 34.369 -18.813 27.240 1.00 0.00 H new ATOM 14 N THR A 3 33.964 -16.413 26.037 1.00 0.00 N ATOM 15 CA THR A 3 34.196 -15.306 25.130 1.00 0.00 C ATOM 16 C THR A 3 34.922 -14.182 25.856 1.00 0.00 C ATOM 17 O THR A 3 35.523 -14.405 26.905 1.00 0.00 O ATOM 18 CB THR A 3 32.861 -14.817 24.578 1.00 0.00 C ATOM 0 H THR A 3 34.036 -16.168 27.025 1.00 0.00 H new ATOM 0 HA THR A 3 34.821 -15.637 24.301 1.00 0.00 H new ATOM 21 N LYS A 4 34.856 -12.974 25.291 1.00 0.00 N ATOM 22 CA LYS A 4 35.498 -11.811 25.872 1.00 0.00 C ATOM 23 C LYS A 4 34.833 -10.550 25.339 1.00 0.00 C ATOM 24 O LYS A 4 35.494 -9.697 24.751 1.00 0.00 O ATOM 25 CB LYS A 4 36.985 -11.826 25.530 1.00 0.00 C ATOM 0 H LYS A 4 34.357 -12.784 24.422 1.00 0.00 H new ATOM 0 HA LYS A 4 35.393 -11.829 26.957 1.00 0.00 H new ATOM 28 N GLU A 5 33.520 -10.438 25.551 1.00 0.00 N ATOM 29 CA GLU A 5 32.759 -9.292 25.095 1.00 0.00 C ATOM 30 C GLU A 5 32.972 -8.120 26.044 1.00 0.00 C ATOM 31 O GLU A 5 32.959 -6.966 25.622 1.00 0.00 O ATOM 32 CB GLU A 5 31.281 -9.664 25.030 1.00 0.00 C ATOM 0 H GLU A 5 32.965 -11.139 26.041 1.00 0.00 H new ATOM 0 HA GLU A 5 33.096 -8.998 24.101 1.00 0.00 H new ATOM 35 N VAL A 6 33.177 -8.422 27.329 1.00 0.00 N ATOM 36 CA VAL A 6 33.381 -7.400 28.336 1.00 0.00 C ATOM 37 C VAL A 6 34.681 -6.649 28.088 1.00 0.00 C ATOM 38 O VAL A 6 34.683 -5.422 28.031 1.00 0.00 O ATOM 39 CB VAL A 6 33.384 -8.045 29.719 1.00 0.00 C ATOM 0 H VAL A 6 33.205 -9.376 27.689 1.00 0.00 H new ATOM 0 HA VAL A 6 32.566 -6.678 28.281 1.00 0.00 H new ATOM 42 N LEU A 7 35.789 -7.379 27.939 1.00 0.00 N ATOM 43 CA LEU A 7 37.080 -6.762 27.703 1.00 0.00 C ATOM 44 C LEU A 7 37.108 -6.154 26.309 1.00 0.00 C ATOM 45 O LEU A 7 37.480 -4.998 26.148 1.00 0.00 O ATOM 46 CB LEU A 7 38.180 -7.808 27.860 1.00 0.00 C ATOM 0 H LEU A 7 35.810 -8.398 27.979 1.00 0.00 H new ATOM 0 HA LEU A 7 37.249 -5.968 28.430 1.00 0.00 H new ATOM 49 N GLU A 8 36.727 -6.954 25.311 1.00 0.00 N ATOM 50 CA GLU A 8 36.688 -6.510 23.927 1.00 0.00 C ATOM 51 C GLU A 8 35.918 -5.199 23.794 1.00 0.00 C ATOM 52 O GLU A 8 36.397 -4.251 23.173 1.00 0.00 O ATOM 53 CB GLU A 8 36.057 -7.598 23.063 1.00 0.00 C ATOM 0 H GLU A 8 36.439 -7.923 25.444 1.00 0.00 H new ATOM 0 HA GLU A 8 37.707 -6.328 23.586 1.00 0.00 H new ATOM 56 N ALA A 9 34.722 -5.140 24.383 1.00 0.00 N ATOM 57 CA ALA A 9 33.914 -3.941 24.336 1.00 0.00 C ATOM 58 C ALA A 9 34.717 -2.843 25.005 1.00 0.00 C ATOM 59 O ALA A 9 34.735 -1.705 24.543 1.00 0.00 O ATOM 60 CB ALA A 9 32.591 -4.179 25.057 1.00 0.00 C ATOM 0 H ALA A 9 34.300 -5.914 24.896 1.00 0.00 H new ATOM 0 HA ALA A 9 33.675 -3.659 23.311 1.00 0.00 H new ATOM 0 HB1 ALA A 9 31.987 -3.272 25.018 1.00 0.00 H new ATOM 0 HB2 ALA A 9 32.054 -4.994 24.572 1.00 0.00 H new ATOM 0 HB3 ALA A 9 32.785 -4.441 26.097 1.00 0.00 H new ATOM 63 N ARG A 10 35.402 -3.204 26.091 1.00 0.00 N ATOM 64 CA ARG A 10 36.244 -2.272 26.807 1.00 0.00 C ATOM 65 C ARG A 10 37.326 -1.769 25.861 1.00 0.00 C ATOM 66 O ARG A 10 37.756 -0.622 25.965 1.00 0.00 O ATOM 67 CB ARG A 10 36.861 -2.969 28.016 1.00 0.00 C ATOM 0 H ARG A 10 35.383 -4.143 26.488 1.00 0.00 H new ATOM 0 HA ARG A 10 35.659 -1.424 27.163 1.00 0.00 H new ATOM 70 N GLU A 11 37.757 -2.618 24.922 1.00 0.00 N ATOM 71 CA GLU A 11 38.775 -2.226 23.970 1.00 0.00 C ATOM 72 C GLU A 11 38.199 -1.090 23.144 1.00 0.00 C ATOM 73 O GLU A 11 38.887 -0.121 22.829 1.00 0.00 O ATOM 74 CB GLU A 11 39.139 -3.417 23.088 1.00 0.00 C ATOM 0 H GLU A 11 37.413 -3.572 24.809 1.00 0.00 H new ATOM 0 HA GLU A 11 39.686 -1.899 24.471 1.00 0.00 H new ATOM 77 N ALA A 12 36.913 -1.217 22.816 1.00 0.00 N ATOM 78 CA ALA A 12 36.209 -0.215 22.040 1.00 0.00 C ATOM 79 C ALA A 12 36.177 1.085 22.830 1.00 0.00 C ATOM 80 O ALA A 12 36.369 2.164 22.274 1.00 0.00 O ATOM 81 CB ALA A 12 34.792 -0.703 21.754 1.00 0.00 C ATOM 0 H ALA A 12 36.339 -2.016 23.083 1.00 0.00 H new ATOM 0 HA ALA A 12 36.717 -0.044 21.091 1.00 0.00 H new ATOM 0 HB1 ALA A 12 34.259 0.048 21.171 1.00 0.00 H new ATOM 0 HB2 ALA A 12 34.835 -1.636 21.192 1.00 0.00 H new ATOM 0 HB3 ALA A 12 34.268 -0.870 22.695 1.00 0.00 H new ATOM 84 N TYR A 13 35.940 0.970 24.139 1.00 0.00 N ATOM 85 CA TYR A 13 35.888 2.122 25.015 1.00 0.00 C ATOM 86 C TYR A 13 37.250 2.800 25.036 1.00 0.00 C ATOM 87 O TYR A 13 37.345 4.008 25.248 1.00 0.00 O ATOM 88 CB TYR A 13 35.485 1.675 26.417 1.00 0.00 C ATOM 0 H TYR A 13 35.781 0.079 24.610 1.00 0.00 H new ATOM 0 HA TYR A 13 35.148 2.835 24.651 1.00 0.00 H new ATOM 91 N PHE A 14 38.307 2.019 24.794 1.00 0.00 N ATOM 92 CA PHE A 14 39.659 2.538 24.784 1.00 0.00 C ATOM 93 C PHE A 14 39.865 3.373 23.529 1.00 0.00 C ATOM 94 O PHE A 14 40.508 4.419 23.577 1.00 0.00 O ATOM 95 CB PHE A 14 40.648 1.378 24.831 1.00 0.00 C ATOM 0 H PHE A 14 38.241 1.019 24.602 1.00 0.00 H new ATOM 0 HA PHE A 14 39.825 3.170 25.656 1.00 0.00 H new ATOM 98 N LYS A 15 39.313 2.910 22.405 1.00 0.00 N ATOM 99 CA LYS A 15 39.427 3.620 21.146 1.00 0.00 C ATOM 100 C LYS A 15 38.695 4.952 21.245 1.00 0.00 C ATOM 101 O LYS A 15 39.159 5.960 20.718 1.00 0.00 O ATOM 102 CB LYS A 15 38.841 2.764 20.027 1.00 0.00 C ATOM 0 H LYS A 15 38.782 2.041 22.350 1.00 0.00 H new ATOM 0 HA LYS A 15 40.476 3.816 20.924 1.00 0.00 H new ATOM 105 N SER A 16 37.551 4.951 21.933 1.00 0.00 N ATOM 106 CA SER A 16 36.765 6.157 22.106 1.00 0.00 C ATOM 107 C SER A 16 37.614 7.206 22.811 1.00 0.00 C ATOM 108 O SER A 16 37.920 8.253 22.239 1.00 0.00 O ATOM 109 CB SER A 16 35.511 5.837 22.916 1.00 0.00 C ATOM 0 H SER A 16 37.155 4.123 22.377 1.00 0.00 H new ATOM 0 HA SER A 16 36.456 6.548 21.136 1.00 0.00 H new ATOM 112 N LEU A 17 37.997 6.916 24.058 1.00 0.00 N ATOM 113 CA LEU A 17 38.823 7.820 24.831 1.00 0.00 C ATOM 114 C LEU A 17 40.095 8.094 24.045 1.00 0.00 C ATOM 115 O LEU A 17 40.658 9.185 24.120 1.00 0.00 O ATOM 116 CB LEU A 17 39.143 7.188 26.183 1.00 0.00 C ATOM 0 H LEU A 17 37.742 6.057 24.546 1.00 0.00 H new ATOM 0 HA LEU A 17 38.302 8.760 25.012 1.00 0.00 H new ATOM 119 N GLY A 18 40.529 7.099 23.269 1.00 0.00 N ATOM 120 CA GLY A 18 41.717 7.226 22.454 1.00 0.00 C ATOM 121 C GLY A 18 41.521 8.378 21.484 1.00 0.00 C ATOM 122 O GLY A 18 42.096 9.447 21.680 1.00 0.00 O ATOM 0 H GLY A 18 40.065 6.194 23.195 1.00 0.00 H new ATOM 0 HA2 GLY A 18 42.589 7.406 23.083 1.00 0.00 H new ATOM 0 HA3 GLY A 18 41.902 6.300 21.909 1.00 0.00 H new ATOM 126 N GLY A 19 40.711 8.152 20.442 1.00 0.00 N ATOM 127 CA GLY A 19 40.404 9.132 19.420 1.00 0.00 C ATOM 128 C GLY A 19 40.209 10.548 19.937 1.00 0.00 C ATOM 129 O GLY A 19 40.709 11.482 19.315 1.00 0.00 O ATOM 0 H GLY A 19 40.245 7.257 20.292 1.00 0.00 H new ATOM 0 HA2 GLY A 19 41.209 9.135 18.685 1.00 0.00 H new ATOM 0 HA3 GLY A 19 39.498 8.822 18.899 1.00 0.00 H new ATOM 133 N SER A 20 39.506 10.753 21.057 1.00 0.00 N ATOM 134 CA SER A 20 39.322 12.091 21.581 1.00 0.00 C ATOM 135 C SER A 20 40.686 12.675 21.928 1.00 0.00 C ATOM 136 O SER A 20 41.028 13.748 21.439 1.00 0.00 O ATOM 137 CB SER A 20 38.434 12.029 22.820 1.00 0.00 C ATOM 0 H SER A 20 39.065 10.014 21.604 1.00 0.00 H new ATOM 0 HA SER A 20 38.840 12.727 20.839 1.00 0.00 H new ATOM 140 N MET A 21 41.473 11.975 22.757 1.00 0.00 N ATOM 141 CA MET A 21 42.786 12.416 23.178 1.00 0.00 C ATOM 142 C MET A 21 43.660 12.876 22.018 1.00 0.00 C ATOM 143 O MET A 21 44.219 13.967 22.063 1.00 0.00 O ATOM 144 CB MET A 21 43.472 11.270 23.918 1.00 0.00 C ATOM 0 H MET A 21 41.200 11.075 23.153 1.00 0.00 H new ATOM 0 HA MET A 21 42.653 13.280 23.829 1.00 0.00 H new ATOM 147 N LYS A 22 43.801 12.032 20.993 1.00 0.00 N ATOM 148 CA LYS A 22 44.636 12.328 19.841 1.00 0.00 C ATOM 149 C LYS A 22 44.149 13.530 19.035 1.00 0.00 C ATOM 150 O LYS A 22 44.921 14.449 18.768 1.00 0.00 O ATOM 151 CB LYS A 22 44.703 11.091 18.949 1.00 0.00 C ATOM 0 H LYS A 22 43.336 11.125 20.945 1.00 0.00 H new ATOM 0 HA LYS A 22 45.626 12.592 20.213 1.00 0.00 H new ATOM 154 N ALA A 23 42.875 13.520 18.639 1.00 0.00 N ATOM 155 CA ALA A 23 42.312 14.602 17.842 1.00 0.00 C ATOM 156 C ALA A 23 42.243 15.889 18.661 1.00 0.00 C ATOM 157 O ALA A 23 42.287 16.991 18.116 1.00 0.00 O ATOM 158 CB ALA A 23 40.922 14.199 17.356 1.00 0.00 C ATOM 0 H ALA A 23 42.217 12.773 18.859 1.00 0.00 H new ATOM 0 HA ALA A 23 42.953 14.787 16.980 1.00 0.00 H new ATOM 0 HB1 ALA A 23 40.497 15.006 16.759 1.00 0.00 H new ATOM 0 HB2 ALA A 23 40.996 13.298 16.747 1.00 0.00 H new ATOM 0 HB3 ALA A 23 40.279 14.005 18.214 1.00 0.00 H new ATOM 161 N MET A 24 42.156 15.719 19.979 1.00 0.00 N ATOM 162 CA MET A 24 42.082 16.835 20.903 1.00 0.00 C ATOM 163 C MET A 24 43.484 17.380 21.118 1.00 0.00 C ATOM 164 O MET A 24 43.674 18.585 21.269 1.00 0.00 O ATOM 165 CB MET A 24 41.472 16.377 22.223 1.00 0.00 C ATOM 0 H MET A 24 42.135 14.804 20.429 1.00 0.00 H new ATOM 0 HA MET A 24 41.448 17.621 20.493 1.00 0.00 H new ATOM 168 N THR A 25 44.465 16.477 21.122 1.00 0.00 N ATOM 169 CA THR A 25 45.851 16.838 21.323 1.00 0.00 C ATOM 170 C THR A 25 46.367 17.626 20.131 1.00 0.00 C ATOM 171 O THR A 25 46.806 18.762 20.289 1.00 0.00 O ATOM 172 CB THR A 25 46.678 15.573 21.533 1.00 0.00 C ATOM 0 H THR A 25 44.312 15.478 20.985 1.00 0.00 H new ATOM 0 HA THR A 25 45.937 17.468 22.208 1.00 0.00 H new ATOM 175 N GLY A 26 46.320 17.034 18.934 1.00 0.00 N ATOM 176 CA GLY A 26 46.802 17.677 17.729 1.00 0.00 C ATOM 177 C GLY A 26 45.991 18.915 17.376 1.00 0.00 C ATOM 178 O GLY A 26 46.562 19.914 16.946 1.00 0.00 O ATOM 0 H GLY A 26 45.946 16.097 18.783 1.00 0.00 H new ATOM 0 HA2 GLY A 26 47.848 17.955 17.861 1.00 0.00 H new ATOM 0 HA3 GLY A 26 46.762 16.970 16.901 1.00 0.00 H new ATOM 182 N VAL A 27 44.666 18.869 17.545 1.00 0.00 N ATOM 183 CA VAL A 27 43.826 20.006 17.230 1.00 0.00 C ATOM 184 C VAL A 27 44.145 21.138 18.194 1.00 0.00 C ATOM 185 O VAL A 27 44.096 22.309 17.821 1.00 0.00 O ATOM 186 CB VAL A 27 42.360 19.598 17.339 1.00 0.00 C ATOM 0 H VAL A 27 44.163 18.055 17.898 1.00 0.00 H new ATOM 0 HA VAL A 27 44.015 20.346 16.212 1.00 0.00 H new ATOM 189 N ALA A 28 44.485 20.782 19.434 1.00 0.00 N ATOM 190 CA ALA A 28 44.814 21.758 20.453 1.00 0.00 C ATOM 191 C ALA A 28 46.191 22.351 20.187 1.00 0.00 C ATOM 192 O ALA A 28 46.399 23.544 20.399 1.00 0.00 O ATOM 193 CB ALA A 28 44.772 21.089 21.824 1.00 0.00 C ATOM 0 H ALA A 28 44.537 19.814 19.750 1.00 0.00 H new ATOM 0 HA ALA A 28 44.085 22.568 20.430 1.00 0.00 H new ATOM 0 HB1 ALA A 28 45.019 21.820 22.593 1.00 0.00 H new ATOM 0 HB2 ALA A 28 43.772 20.695 22.006 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.495 20.273 21.853 1.00 0.00 H new ATOM 196 N LYS A 29 47.129 21.520 19.724 1.00 0.00 N ATOM 197 CA LYS A 29 48.481 21.955 19.429 1.00 0.00 C ATOM 198 C LYS A 29 48.530 22.633 18.064 1.00 0.00 C ATOM 199 O LYS A 29 49.498 23.320 17.747 1.00 0.00 O ATOM 200 CB LYS A 29 49.414 20.747 19.458 1.00 0.00 C ATOM 0 H LYS A 29 46.964 20.529 19.546 1.00 0.00 H new ATOM 0 HA LYS A 29 48.803 22.677 20.180 1.00 0.00 H new ATOM 203 N ALA A 30 47.485 22.430 17.257 1.00 0.00 N ATOM 204 CA ALA A 30 47.414 22.994 15.924 1.00 0.00 C ATOM 205 C ALA A 30 47.246 24.506 15.995 1.00 0.00 C ATOM 206 O ALA A 30 47.858 25.162 16.835 1.00 0.00 O ATOM 207 CB ALA A 30 46.256 22.345 15.171 1.00 0.00 C ATOM 0 H ALA A 30 46.672 21.871 17.516 1.00 0.00 H new ATOM 0 HA ALA A 30 48.342 22.792 15.389 1.00 0.00 H new ATOM 0 HB1 ALA A 30 46.195 22.764 14.166 1.00 0.00 H new ATOM 0 HB2 ALA A 30 46.421 21.270 15.107 1.00 0.00 H new ATOM 0 HB3 ALA A 30 45.324 22.538 15.702 1.00 0.00 H new ATOM 210 N PHE A 31 46.410 25.061 15.114 1.00 0.00 N ATOM 211 CA PHE A 31 46.174 26.489 15.076 1.00 0.00 C ATOM 212 C PHE A 31 45.214 26.810 13.941 1.00 0.00 C ATOM 213 O PHE A 31 45.571 27.547 13.024 1.00 0.00 O ATOM 214 CB PHE A 31 47.500 27.220 14.889 1.00 0.00 C ATOM 0 H PHE A 31 45.887 24.531 14.417 1.00 0.00 H new ATOM 0 HA PHE A 31 45.728 26.819 16.014 1.00 0.00 H new ATOM 217 N ASP A 32 44.004 26.242 14.015 1.00 0.00 N ATOM 218 CA ASP A 32 42.967 26.445 13.018 1.00 0.00 C ATOM 219 C ASP A 32 41.615 26.501 13.712 1.00 0.00 C ATOM 220 O ASP A 32 41.246 27.541 14.254 1.00 0.00 O ATOM 221 CB ASP A 32 43.009 25.310 11.999 1.00 0.00 C ATOM 0 H ASP A 32 43.723 25.625 14.778 1.00 0.00 H new ATOM 0 HA ASP A 32 43.131 27.385 12.491 1.00 0.00 H new ATOM 224 N ALA A 33 40.878 25.386 13.695 1.00 0.00 N ATOM 225 CA ALA A 33 39.569 25.308 14.314 1.00 0.00 C ATOM 226 C ALA A 33 38.906 23.995 13.923 1.00 0.00 C ATOM 227 O ALA A 33 38.217 23.378 14.733 1.00 0.00 O ATOM 228 CB ALA A 33 38.709 26.484 13.858 1.00 0.00 C ATOM 0 H ALA A 33 41.179 24.519 13.251 1.00 0.00 H new ATOM 0 HA ALA A 33 39.675 25.351 15.398 1.00 0.00 H new ATOM 0 HB1 ALA A 33 37.727 26.420 14.326 1.00 0.00 H new ATOM 0 HB2 ALA A 33 39.189 27.419 14.147 1.00 0.00 H new ATOM 0 HB3 ALA A 33 38.597 26.454 12.774 1.00 0.00 H new ATOM 231 N GLU A 34 39.122 23.568 12.677 1.00 0.00 N ATOM 232 CA GLU A 34 38.539 22.347 12.159 1.00 0.00 C ATOM 233 C GLU A 34 38.850 21.151 13.049 1.00 0.00 C ATOM 234 O GLU A 34 37.935 20.454 13.483 1.00 0.00 O ATOM 235 CB GLU A 34 39.055 22.106 10.743 1.00 0.00 C ATOM 0 H GLU A 34 39.707 24.065 12.006 1.00 0.00 H new ATOM 0 HA GLU A 34 37.455 22.462 12.143 1.00 0.00 H new ATOM 238 N ALA A 35 40.135 20.901 13.316 1.00 0.00 N ATOM 239 CA ALA A 35 40.553 19.774 14.128 1.00 0.00 C ATOM 240 C ALA A 35 39.843 19.769 15.473 1.00 0.00 C ATOM 241 O ALA A 35 39.292 18.744 15.870 1.00 0.00 O ATOM 242 CB ALA A 35 42.065 19.829 14.322 1.00 0.00 C ATOM 0 H ALA A 35 40.905 21.476 12.974 1.00 0.00 H new ATOM 0 HA ALA A 35 40.284 18.852 13.613 1.00 0.00 H new ATOM 0 HB1 ALA A 35 42.385 18.984 14.932 1.00 0.00 H new ATOM 0 HB2 ALA A 35 42.558 19.783 13.351 1.00 0.00 H new ATOM 0 HB3 ALA A 35 42.334 20.759 14.822 1.00 0.00 H new ATOM 245 N ALA A 36 39.871 20.909 16.172 1.00 0.00 N ATOM 246 CA ALA A 36 39.241 21.044 17.473 1.00 0.00 C ATOM 247 C ALA A 36 37.810 20.528 17.439 1.00 0.00 C ATOM 248 O ALA A 36 37.450 19.659 18.231 1.00 0.00 O ATOM 249 CB ALA A 36 39.274 22.510 17.898 1.00 0.00 C ATOM 0 H ALA A 36 40.332 21.758 15.845 1.00 0.00 H new ATOM 0 HA ALA A 36 39.791 20.445 18.199 1.00 0.00 H new ATOM 0 HB1 ALA A 36 38.802 22.616 18.875 1.00 0.00 H new ATOM 0 HB2 ALA A 36 40.308 22.849 17.956 1.00 0.00 H new ATOM 0 HB3 ALA A 36 38.735 23.113 17.167 1.00 0.00 H new ATOM 252 N LYS A 37 36.999 21.067 16.525 1.00 0.00 N ATOM 253 CA LYS A 37 35.615 20.661 16.379 1.00 0.00 C ATOM 254 C LYS A 37 35.495 19.146 16.263 1.00 0.00 C ATOM 255 O LYS A 37 34.732 18.529 17.004 1.00 0.00 O ATOM 256 CB LYS A 37 35.018 21.340 15.149 1.00 0.00 C ATOM 0 H LYS A 37 37.290 21.794 15.872 1.00 0.00 H new ATOM 0 HA LYS A 37 35.063 20.967 17.268 1.00 0.00 H new ATOM 259 N VAL A 38 36.247 18.543 15.339 1.00 0.00 N ATOM 260 CA VAL A 38 36.209 17.108 15.128 1.00 0.00 C ATOM 261 C VAL A 38 36.658 16.359 16.375 1.00 0.00 C ATOM 262 O VAL A 38 36.104 15.310 16.710 1.00 0.00 O ATOM 263 CB VAL A 38 37.100 16.752 13.941 1.00 0.00 C ATOM 0 H VAL A 38 36.893 19.038 14.724 1.00 0.00 H new ATOM 0 HA VAL A 38 35.183 16.809 14.916 1.00 0.00 H new ATOM 266 N GLU A 39 37.649 16.895 17.092 1.00 0.00 N ATOM 267 CA GLU A 39 38.140 16.253 18.288 1.00 0.00 C ATOM 268 C GLU A 39 36.992 16.246 19.278 1.00 0.00 C ATOM 269 O GLU A 39 36.740 15.232 19.922 1.00 0.00 O ATOM 270 CB GLU A 39 39.337 17.026 18.832 1.00 0.00 C ATOM 0 H GLU A 39 38.118 17.770 16.856 1.00 0.00 H new ATOM 0 HA GLU A 39 38.476 15.235 18.093 1.00 0.00 H new ATOM 273 N ALA A 40 36.303 17.387 19.379 1.00 0.00 N ATOM 274 CA ALA A 40 35.150 17.536 20.243 1.00 0.00 C ATOM 275 C ALA A 40 34.175 16.396 19.988 1.00 0.00 C ATOM 276 O ALA A 40 33.643 15.811 20.927 1.00 0.00 O ATOM 277 CB ALA A 40 34.489 18.881 19.951 1.00 0.00 C ATOM 0 H ALA A 40 36.538 18.231 18.857 1.00 0.00 H new ATOM 0 HA ALA A 40 35.454 17.504 21.289 1.00 0.00 H new ATOM 0 HB1 ALA A 40 33.619 19.006 20.595 1.00 0.00 H new ATOM 0 HB2 ALA A 40 35.200 19.685 20.141 1.00 0.00 H new ATOM 0 HB3 ALA A 40 34.176 18.914 18.908 1.00 0.00 H new ATOM 280 N ALA A 41 33.939 16.088 18.710 1.00 0.00 N ATOM 281 CA ALA A 41 33.061 14.996 18.339 1.00 0.00 C ATOM 282 C ALA A 41 33.534 13.725 19.032 1.00 0.00 C ATOM 283 O ALA A 41 32.758 13.043 19.704 1.00 0.00 O ATOM 284 CB ALA A 41 33.073 14.826 16.823 1.00 0.00 C ATOM 0 H ALA A 41 34.349 16.586 17.920 1.00 0.00 H new ATOM 0 HA ALA A 41 32.039 15.209 18.652 1.00 0.00 H new ATOM 0 HB1 ALA A 41 32.413 14.005 16.544 1.00 0.00 H new ATOM 0 HB2 ALA A 41 32.728 15.746 16.351 1.00 0.00 H new ATOM 0 HB3 ALA A 41 34.087 14.606 16.490 1.00 0.00 H new ATOM 287 N LYS A 42 34.824 13.408 18.898 1.00 0.00 N ATOM 288 CA LYS A 42 35.373 12.227 19.533 1.00 0.00 C ATOM 289 C LYS A 42 35.224 12.370 21.044 1.00 0.00 C ATOM 290 O LYS A 42 35.041 11.375 21.743 1.00 0.00 O ATOM 291 CB LYS A 42 36.830 12.052 19.119 1.00 0.00 C ATOM 0 H LYS A 42 35.496 13.953 18.358 1.00 0.00 H new ATOM 0 HA LYS A 42 34.834 11.334 19.217 1.00 0.00 H new ATOM 294 N LEU A 43 35.304 13.614 21.534 1.00 0.00 N ATOM 295 CA LEU A 43 35.117 13.895 22.945 1.00 0.00 C ATOM 296 C LEU A 43 33.764 13.309 23.297 1.00 0.00 C ATOM 297 O LEU A 43 33.685 12.457 24.181 1.00 0.00 O ATOM 298 CB LEU A 43 35.168 15.398 23.208 1.00 0.00 C ATOM 0 H LEU A 43 35.498 14.437 20.964 1.00 0.00 H new ATOM 0 HA LEU A 43 35.905 13.459 23.558 1.00 0.00 H new ATOM 301 N GLU A 44 32.731 13.775 22.581 1.00 0.00 N ATOM 302 CA GLU A 44 31.376 13.270 22.701 1.00 0.00 C ATOM 303 C GLU A 44 31.415 11.759 22.852 1.00 0.00 C ATOM 304 O GLU A 44 30.696 11.200 23.669 1.00 0.00 O ATOM 305 CB GLU A 44 30.582 13.666 21.459 1.00 0.00 C ATOM 0 H GLU A 44 32.825 14.524 21.895 1.00 0.00 H new ATOM 0 HA GLU A 44 30.892 13.697 23.579 1.00 0.00 H new ATOM 308 N LYS A 45 32.260 11.077 22.079 1.00 0.00 N ATOM 309 CA LYS A 45 32.406 9.640 22.233 1.00 0.00 C ATOM 310 C LYS A 45 32.806 9.277 23.668 1.00 0.00 C ATOM 311 O LYS A 45 32.237 8.361 24.257 1.00 0.00 O ATOM 312 CB LYS A 45 33.446 9.129 21.239 1.00 0.00 C ATOM 0 H LYS A 45 32.843 11.493 21.353 1.00 0.00 H new ATOM 0 HA LYS A 45 31.447 9.164 22.029 1.00 0.00 H new ATOM 315 N ILE A 46 33.786 9.998 24.224 1.00 0.00 N ATOM 316 CA ILE A 46 34.277 9.728 25.574 1.00 0.00 C ATOM 317 C ILE A 46 33.233 10.063 26.640 1.00 0.00 C ATOM 318 O ILE A 46 33.049 9.289 27.577 1.00 0.00 O ATOM 319 CB ILE A 46 35.577 10.490 25.816 1.00 0.00 C ATOM 0 H ILE A 46 34.254 10.774 23.756 1.00 0.00 H new ATOM 0 HA ILE A 46 34.474 8.659 25.654 1.00 0.00 H new ATOM 322 N LEU A 47 32.576 11.220 26.500 1.00 0.00 N ATOM 323 CA LEU A 47 31.474 11.581 27.383 1.00 0.00 C ATOM 324 C LEU A 47 30.409 10.691 26.777 1.00 0.00 C ATOM 325 O LEU A 47 29.634 11.125 25.932 1.00 0.00 O ATOM 326 CB LEU A 47 31.135 13.062 27.238 1.00 0.00 C ATOM 0 H LEU A 47 32.791 11.916 25.786 1.00 0.00 H new ATOM 0 HA LEU A 47 31.638 11.450 28.453 1.00 0.00 H new ATOM 329 N ALA A 48 30.375 9.432 27.208 1.00 0.00 N ATOM 330 CA ALA A 48 29.657 8.395 26.521 1.00 0.00 C ATOM 331 C ALA A 48 28.173 8.318 26.779 1.00 0.00 C ATOM 332 O ALA A 48 27.590 9.082 27.545 1.00 0.00 O ATOM 333 CB ALA A 48 30.310 7.052 26.834 1.00 0.00 C ATOM 0 H ALA A 48 30.853 9.114 28.051 1.00 0.00 H new ATOM 0 HA ALA A 48 29.726 8.654 25.464 1.00 0.00 H new ATOM 0 HB1 ALA A 48 29.773 6.257 26.317 1.00 0.00 H new ATOM 0 HB2 ALA A 48 31.347 7.065 26.500 1.00 0.00 H new ATOM 0 HB3 ALA A 48 30.277 6.873 27.909 1.00 0.00 H new ATOM 336 N THR A 49 27.601 7.346 26.079 1.00 0.00 N ATOM 337 CA THR A 49 26.208 7.016 26.185 1.00 0.00 C ATOM 338 C THR A 49 25.978 6.128 27.400 1.00 0.00 C ATOM 339 O THR A 49 24.919 5.504 27.441 1.00 0.00 O ATOM 340 CB THR A 49 25.752 6.317 24.907 1.00 0.00 C ATOM 0 H THR A 49 28.110 6.763 25.415 1.00 0.00 H new ATOM 0 HA THR A 49 25.623 7.927 26.312 1.00 0.00 H new ATOM 343 N ASP A 50 26.940 6.037 28.347 1.00 0.00 N ATOM 344 CA ASP A 50 26.924 5.196 29.546 1.00 0.00 C ATOM 345 C ASP A 50 28.155 4.285 29.504 1.00 0.00 C ATOM 346 O ASP A 50 27.999 3.086 29.282 1.00 0.00 O ATOM 347 CB ASP A 50 25.656 4.359 29.702 1.00 0.00 C ATOM 0 H ASP A 50 27.797 6.586 28.282 1.00 0.00 H new ATOM 0 HA ASP A 50 26.942 5.858 30.412 1.00 0.00 H new ATOM 350 N VAL A 51 29.373 4.824 29.716 1.00 0.00 N ATOM 351 CA VAL A 51 30.594 4.050 29.639 1.00 0.00 C ATOM 352 C VAL A 51 30.908 3.263 30.906 1.00 0.00 C ATOM 353 O VAL A 51 31.249 2.087 30.806 1.00 0.00 O ATOM 354 CB VAL A 51 31.750 4.990 29.307 1.00 0.00 C ATOM 0 H VAL A 51 29.520 5.807 29.944 1.00 0.00 H new ATOM 0 HA VAL A 51 30.453 3.305 28.856 1.00 0.00 H new ATOM 357 N ALA A 52 30.827 3.892 32.087 1.00 0.00 N ATOM 358 CA ALA A 52 31.150 3.228 33.338 1.00 0.00 C ATOM 359 C ALA A 52 32.662 3.074 33.432 1.00 0.00 C ATOM 360 O ALA A 52 33.246 3.328 34.484 1.00 0.00 O ATOM 361 CB ALA A 52 30.433 1.883 33.438 1.00 0.00 C ATOM 0 H ALA A 52 30.538 4.865 32.192 1.00 0.00 H new ATOM 0 HA ALA A 52 30.805 3.829 34.179 1.00 0.00 H new ATOM 0 HB1 ALA A 52 30.689 1.403 34.383 1.00 0.00 H new ATOM 0 HB2 ALA A 52 29.355 2.041 33.392 1.00 0.00 H new ATOM 0 HB3 ALA A 52 30.742 1.244 32.611 1.00 0.00 H new ATOM 364 N PRO A 53 33.286 2.674 32.320 1.00 0.00 N ATOM 365 CA PRO A 53 34.728 2.516 32.238 1.00 0.00 C ATOM 366 C PRO A 53 35.181 1.151 32.735 1.00 0.00 C ATOM 367 O PRO A 53 36.196 1.082 33.424 1.00 0.00 O ATOM 368 CB PRO A 53 35.168 2.721 30.792 1.00 0.00 C ATOM 0 HA PRO A 53 35.192 3.262 32.883 1.00 0.00 H new ATOM 370 N LEU A 54 34.437 0.099 32.359 1.00 0.00 N ATOM 371 CA LEU A 54 34.699 -1.296 32.695 1.00 0.00 C ATOM 372 C LEU A 54 33.372 -1.982 32.986 1.00 0.00 C ATOM 373 O LEU A 54 32.315 -1.362 32.888 1.00 0.00 O ATOM 374 CB LEU A 54 35.626 -1.468 33.898 1.00 0.00 C ATOM 0 H LEU A 54 33.600 0.210 31.787 1.00 0.00 H new ATOM 0 HA LEU A 54 35.207 -1.745 31.841 1.00 0.00 H new ATOM 377 N PHE A 55 33.433 -3.263 33.353 1.00 0.00 N ATOM 378 CA PHE A 55 32.246 -4.029 33.671 1.00 0.00 C ATOM 379 C PHE A 55 32.649 -5.440 34.065 1.00 0.00 C ATOM 380 O PHE A 55 33.782 -5.849 33.822 1.00 0.00 O ATOM 381 CB PHE A 55 31.306 -4.042 32.469 1.00 0.00 C ATOM 0 H PHE A 55 34.304 -3.788 33.435 1.00 0.00 H new ATOM 0 HA PHE A 55 31.720 -3.572 34.509 1.00 0.00 H new ATOM 384 N PRO A 56 31.724 -6.181 34.678 1.00 0.00 N ATOM 385 CA PRO A 56 32.003 -7.532 35.116 1.00 0.00 C ATOM 386 C PRO A 56 33.201 -7.502 36.052 1.00 0.00 C ATOM 387 O PRO A 56 34.302 -7.893 35.674 1.00 0.00 O ATOM 388 CB PRO A 56 32.276 -8.418 33.905 1.00 0.00 C ATOM 0 HA PRO A 56 31.146 -7.944 35.649 1.00 0.00 H new ATOM 390 N ALA A 57 32.978 -7.031 37.281 1.00 0.00 N ATOM 391 CA ALA A 57 34.024 -6.938 38.278 1.00 0.00 C ATOM 392 C ALA A 57 35.229 -6.160 37.763 1.00 0.00 C ATOM 393 O ALA A 57 36.250 -6.103 38.444 1.00 0.00 O ATOM 394 CB ALA A 57 34.436 -8.343 38.703 1.00 0.00 C ATOM 0 H ALA A 57 32.066 -6.706 37.604 1.00 0.00 H new ATOM 0 HA ALA A 57 33.635 -6.392 39.137 1.00 0.00 H new ATOM 0 HB1 ALA A 57 35.224 -8.280 39.454 1.00 0.00 H new ATOM 0 HB2 ALA A 57 33.575 -8.863 39.123 1.00 0.00 H new ATOM 0 HB3 ALA A 57 34.804 -8.892 37.836 1.00 0.00 H new ATOM 397 N GLY A 58 35.115 -5.577 36.564 1.00 0.00 N ATOM 398 CA GLY A 58 36.189 -4.819 35.946 1.00 0.00 C ATOM 399 C GLY A 58 36.978 -5.763 35.050 1.00 0.00 C ATOM 400 O GLY A 58 37.295 -6.879 35.454 1.00 0.00 O ATOM 0 H GLY A 58 34.267 -5.623 35.999 1.00 0.00 H new ATOM 0 HA2 GLY A 58 35.785 -3.991 35.364 1.00 0.00 H new ATOM 0 HA3 GLY A 58 36.837 -4.387 36.708 1.00 0.00 H new ATOM 404 N THR A 59 37.277 -5.325 33.825 1.00 0.00 N ATOM 405 CA THR A 59 37.989 -6.151 32.869 1.00 0.00 C ATOM 406 C THR A 59 39.424 -6.416 33.311 1.00 0.00 C ATOM 407 O THR A 59 39.637 -7.134 34.285 1.00 0.00 O ATOM 408 CB THR A 59 37.934 -5.500 31.490 1.00 0.00 C ATOM 0 H THR A 59 37.032 -4.398 33.478 1.00 0.00 H new ATOM 0 HA THR A 59 37.499 -7.123 32.815 1.00 0.00 H new ATOM 411 N SER A 60 40.394 -5.836 32.593 1.00 0.00 N ATOM 412 CA SER A 60 41.810 -6.012 32.867 1.00 0.00 C ATOM 413 C SER A 60 42.164 -7.466 33.162 1.00 0.00 C ATOM 414 O SER A 60 42.212 -8.289 32.251 1.00 0.00 O ATOM 415 CB SER A 60 42.230 -5.090 34.009 1.00 0.00 C ATOM 0 H SER A 60 40.206 -5.226 31.798 1.00 0.00 H new ATOM 0 HA SER A 60 42.367 -5.740 31.970 1.00 0.00 H new ATOM 418 N SER A 61 42.418 -7.777 34.437 1.00 0.00 N ATOM 419 CA SER A 61 42.767 -9.123 34.847 1.00 0.00 C ATOM 420 C SER A 61 44.154 -9.484 34.334 1.00 0.00 C ATOM 421 O SER A 61 44.517 -9.129 33.215 1.00 0.00 O ATOM 422 CB SER A 61 41.722 -10.105 34.325 1.00 0.00 C ATOM 0 H SER A 61 42.386 -7.102 35.201 1.00 0.00 H new ATOM 0 HA SER A 61 42.783 -9.177 35.936 1.00 0.00 H new ATOM 425 N THR A 62 44.932 -10.186 35.162 1.00 0.00 N ATOM 426 CA THR A 62 46.272 -10.600 34.794 1.00 0.00 C ATOM 427 C THR A 62 46.942 -11.288 35.976 1.00 0.00 C ATOM 428 O THR A 62 46.677 -12.458 36.244 1.00 0.00 O ATOM 429 CB THR A 62 47.074 -9.386 34.332 1.00 0.00 C ATOM 0 H THR A 62 44.646 -10.477 36.097 1.00 0.00 H new ATOM 0 HA THR A 62 46.225 -11.312 33.970 1.00 0.00 H new ATOM 432 N ASP A 63 47.817 -10.565 36.680 1.00 0.00 N ATOM 433 CA ASP A 63 48.514 -11.116 37.826 1.00 0.00 C ATOM 434 C ASP A 63 49.415 -12.257 37.376 1.00 0.00 C ATOM 435 O ASP A 63 49.085 -13.424 37.575 1.00 0.00 O ATOM 436 CB ASP A 63 47.495 -11.603 38.851 1.00 0.00 C ATOM 0 H ASP A 63 48.054 -9.596 36.469 1.00 0.00 H new ATOM 0 HA ASP A 63 49.135 -10.348 38.287 1.00 0.00 H new ATOM 439 N LEU A 64 50.556 -11.914 36.774 1.00 0.00 N ATOM 440 CA LEU A 64 51.501 -12.904 36.297 1.00 0.00 C ATOM 441 C LEU A 64 50.911 -13.641 35.102 1.00 0.00 C ATOM 442 O LEU A 64 51.586 -14.456 34.478 1.00 0.00 O ATOM 443 CB LEU A 64 51.841 -13.876 37.423 1.00 0.00 C ATOM 0 H LEU A 64 50.842 -10.949 36.608 1.00 0.00 H new ATOM 0 HA LEU A 64 52.420 -12.411 35.979 1.00 0.00 H new ATOM 446 N PRO A 65 49.648 -13.347 34.784 1.00 0.00 N ATOM 447 CA PRO A 65 48.973 -13.974 33.665 1.00 0.00 C ATOM 448 C PRO A 65 49.617 -13.523 32.362 1.00 0.00 C ATOM 449 O PRO A 65 50.632 -12.829 32.393 1.00 0.00 O ATOM 450 CB PRO A 65 49.047 -15.492 33.811 1.00 0.00 C ATOM 0 HA PRO A 65 47.924 -13.677 33.652 1.00 0.00 H new ATOM 452 N GLY A 66 49.016 -13.925 31.235 1.00 0.00 N ATOM 453 CA GLY A 66 49.488 -13.588 29.900 1.00 0.00 C ATOM 454 C GLY A 66 48.340 -12.989 29.101 1.00 0.00 C ATOM 455 O GLY A 66 48.553 -12.113 28.266 1.00 0.00 O ATOM 0 H GLY A 66 48.175 -14.502 31.233 1.00 0.00 H new ATOM 0 HA2 GLY A 66 50.313 -12.879 29.961 1.00 0.00 H new ATOM 0 HA3 GLY A 66 49.869 -14.479 29.400 1.00 0.00 H new ATOM 459 N GLN A 67 47.117 -13.455 29.370 1.00 0.00 N ATOM 460 CA GLN A 67 45.939 -12.961 28.685 1.00 0.00 C ATOM 461 C GLN A 67 45.737 -11.488 29.014 1.00 0.00 C ATOM 462 O GLN A 67 46.534 -10.898 29.739 1.00 0.00 O ATOM 463 CB GLN A 67 44.724 -13.781 29.108 1.00 0.00 C ATOM 0 H GLN A 67 46.926 -14.178 30.063 1.00 0.00 H new ATOM 0 HA GLN A 67 46.069 -13.060 27.607 1.00 0.00 H new ATOM 466 N THR A 68 44.665 -10.893 28.483 1.00 0.00 N ATOM 467 CA THR A 68 44.353 -9.494 28.711 1.00 0.00 C ATOM 468 C THR A 68 45.478 -8.583 28.234 1.00 0.00 C ATOM 469 O THR A 68 46.556 -9.050 27.870 1.00 0.00 O ATOM 470 CB THR A 68 44.079 -9.274 30.196 1.00 0.00 C ATOM 0 H THR A 68 43.994 -11.374 27.884 1.00 0.00 H new ATOM 0 HA THR A 68 43.465 -9.239 28.133 1.00 0.00 H new ATOM 473 N GLU A 69 45.216 -7.273 28.233 1.00 0.00 N ATOM 474 CA GLU A 69 46.202 -6.289 27.830 1.00 0.00 C ATOM 475 C GLU A 69 47.136 -6.032 29.004 1.00 0.00 C ATOM 476 O GLU A 69 47.723 -4.958 29.111 1.00 0.00 O ATOM 477 CB GLU A 69 45.494 -5.003 27.413 1.00 0.00 C ATOM 0 H GLU A 69 44.319 -6.875 28.511 1.00 0.00 H new ATOM 0 HA GLU A 69 46.782 -6.653 26.982 1.00 0.00 H new ATOM 480 N ALA A 70 47.258 -7.022 29.892 1.00 0.00 N ATOM 481 CA ALA A 70 48.100 -6.907 31.065 1.00 0.00 C ATOM 482 C ALA A 70 47.685 -5.679 31.860 1.00 0.00 C ATOM 483 O ALA A 70 46.818 -5.765 32.727 1.00 0.00 O ATOM 484 CB ALA A 70 49.562 -6.811 30.638 1.00 0.00 C ATOM 0 H ALA A 70 46.775 -7.917 29.811 1.00 0.00 H new ATOM 0 HA ALA A 70 47.984 -7.788 31.696 1.00 0.00 H new ATOM 0 HB1 ALA A 70 50.194 -6.725 31.522 1.00 0.00 H new ATOM 0 HB2 ALA A 70 49.838 -7.706 30.081 1.00 0.00 H new ATOM 0 HB3 ALA A 70 49.700 -5.934 30.006 1.00 0.00 H new ATOM 487 N LYS A 71 48.310 -4.540 31.551 1.00 0.00 N ATOM 488 CA LYS A 71 48.027 -3.280 32.210 1.00 0.00 C ATOM 489 C LYS A 71 48.019 -3.425 33.725 1.00 0.00 C ATOM 490 O LYS A 71 47.355 -2.655 34.416 1.00 0.00 O ATOM 491 CB LYS A 71 46.694 -2.731 31.710 1.00 0.00 C ATOM 0 H LYS A 71 49.030 -4.475 30.831 1.00 0.00 H new ATOM 0 HA LYS A 71 48.822 -2.577 31.962 1.00 0.00 H new ATOM 494 N ALA A 72 48.751 -4.412 34.248 1.00 0.00 N ATOM 495 CA ALA A 72 48.859 -4.631 35.677 1.00 0.00 C ATOM 496 C ALA A 72 47.554 -5.050 36.342 1.00 0.00 C ATOM 497 O ALA A 72 47.220 -4.495 37.386 1.00 0.00 O ATOM 498 CB ALA A 72 49.412 -3.371 36.337 1.00 0.00 C ATOM 0 H ALA A 72 49.282 -5.077 33.686 1.00 0.00 H new ATOM 0 HA ALA A 72 49.540 -5.471 35.817 1.00 0.00 H new ATOM 0 HB1 ALA A 72 49.495 -3.530 37.412 1.00 0.00 H new ATOM 0 HB2 ALA A 72 50.396 -3.147 35.926 1.00 0.00 H new ATOM 0 HB3 ALA A 72 48.740 -2.535 36.145 1.00 0.00 H new ATOM 501 N ALA A 73 46.857 -6.038 35.760 1.00 0.00 N ATOM 502 CA ALA A 73 45.612 -6.590 36.283 1.00 0.00 C ATOM 503 C ALA A 73 44.736 -5.572 36.998 1.00 0.00 C ATOM 504 O ALA A 73 43.870 -5.942 37.787 1.00 0.00 O ATOM 505 CB ALA A 73 45.934 -7.757 37.212 1.00 0.00 C ATOM 0 H ALA A 73 47.157 -6.481 34.892 1.00 0.00 H new ATOM 0 HA ALA A 73 45.030 -6.927 35.425 1.00 0.00 H new ATOM 0 HB1 ALA A 73 45.008 -8.174 37.607 1.00 0.00 H new ATOM 0 HB2 ALA A 73 46.471 -8.526 36.657 1.00 0.00 H new ATOM 0 HB3 ALA A 73 46.554 -7.405 38.037 1.00 0.00 H new ATOM 508 N ILE A 74 44.974 -4.289 36.727 1.00 0.00 N ATOM 509 CA ILE A 74 44.225 -3.216 37.340 1.00 0.00 C ATOM 510 C ILE A 74 44.180 -3.331 38.856 1.00 0.00 C ATOM 511 O ILE A 74 43.221 -3.862 39.412 1.00 0.00 O ATOM 512 CB ILE A 74 42.820 -3.161 36.747 1.00 0.00 C ATOM 0 H ILE A 74 45.693 -3.974 36.075 1.00 0.00 H new ATOM 0 HA ILE A 74 44.741 -2.281 37.120 1.00 0.00 H new ATOM 515 N TRP A 75 45.227 -2.800 39.495 1.00 0.00 N ATOM 516 CA TRP A 75 45.358 -2.738 40.939 1.00 0.00 C ATOM 517 C TRP A 75 45.738 -1.297 41.231 1.00 0.00 C ATOM 518 O TRP A 75 46.529 -0.722 40.486 1.00 0.00 O ATOM 519 CB TRP A 75 46.445 -3.703 41.405 1.00 0.00 C ATOM 0 H TRP A 75 46.022 -2.393 39.003 1.00 0.00 H new ATOM 0 HA TRP A 75 44.445 -3.025 41.460 1.00 0.00 H new ATOM 522 N ALA A 76 45.177 -0.708 42.291 1.00 0.00 N ATOM 523 CA ALA A 76 45.414 0.679 42.641 1.00 0.00 C ATOM 524 C ALA A 76 44.343 1.091 43.637 1.00 0.00 C ATOM 525 O ALA A 76 44.670 1.607 44.704 1.00 0.00 O ATOM 526 CB ALA A 76 45.317 1.566 41.402 1.00 0.00 C ATOM 0 H ALA A 76 44.543 -1.190 42.929 1.00 0.00 H new ATOM 0 HA ALA A 76 46.411 0.791 43.066 1.00 0.00 H new ATOM 0 HB1 ALA A 76 45.497 2.604 41.682 1.00 0.00 H new ATOM 0 HB2 ALA A 76 46.062 1.253 40.671 1.00 0.00 H new ATOM 0 HB3 ALA A 76 44.322 1.476 40.967 1.00 0.00 H new ATOM 529 N ASN A 77 43.082 0.826 43.265 1.00 0.00 N ATOM 530 CA ASN A 77 41.899 1.146 44.055 1.00 0.00 C ATOM 531 C ASN A 77 40.729 1.373 43.108 1.00 0.00 C ATOM 532 O ASN A 77 40.728 2.363 42.381 1.00 0.00 O ATOM 533 CB ASN A 77 42.103 2.416 44.878 1.00 0.00 C ATOM 0 H ASN A 77 42.858 0.370 42.380 1.00 0.00 H new ATOM 0 HA ASN A 77 41.707 0.317 44.736 1.00 0.00 H new ATOM 536 N MET A 78 39.753 0.457 43.090 1.00 0.00 N ATOM 537 CA MET A 78 38.576 0.585 42.248 1.00 0.00 C ATOM 538 C MET A 78 37.956 1.975 42.348 1.00 0.00 C ATOM 539 O MET A 78 37.488 2.518 41.350 1.00 0.00 O ATOM 540 CB MET A 78 37.559 -0.484 42.635 1.00 0.00 C ATOM 0 H MET A 78 39.765 -0.389 43.660 1.00 0.00 H new ATOM 0 HA MET A 78 38.880 0.444 41.211 1.00 0.00 H new ATOM 543 N ASP A 79 37.967 2.557 43.548 1.00 0.00 N ATOM 544 CA ASP A 79 37.415 3.883 43.749 1.00 0.00 C ATOM 545 C ASP A 79 38.251 4.880 42.956 1.00 0.00 C ATOM 546 O ASP A 79 37.712 5.748 42.272 1.00 0.00 O ATOM 547 CB ASP A 79 37.428 4.224 45.236 1.00 0.00 C ATOM 0 H ASP A 79 38.353 2.127 44.389 1.00 0.00 H new ATOM 0 HA ASP A 79 36.383 3.923 43.402 1.00 0.00 H new ATOM 550 N ASP A 80 39.575 4.736 43.045 1.00 0.00 N ATOM 551 CA ASP A 80 40.494 5.598 42.333 1.00 0.00 C ATOM 552 C ASP A 80 40.271 5.447 40.835 1.00 0.00 C ATOM 553 O ASP A 80 40.219 6.439 40.107 1.00 0.00 O ATOM 554 CB ASP A 80 41.929 5.236 42.707 1.00 0.00 C ATOM 0 H ASP A 80 40.029 4.020 43.612 1.00 0.00 H new ATOM 0 HA ASP A 80 40.317 6.638 42.609 1.00 0.00 H new ATOM 557 N PHE A 81 40.143 4.199 40.377 1.00 0.00 N ATOM 558 CA PHE A 81 39.906 3.921 38.977 1.00 0.00 C ATOM 559 C PHE A 81 38.648 4.666 38.565 1.00 0.00 C ATOM 560 O PHE A 81 38.643 5.350 37.542 1.00 0.00 O ATOM 561 CB PHE A 81 39.747 2.417 38.770 1.00 0.00 C ATOM 0 H PHE A 81 40.201 3.369 40.966 1.00 0.00 H new ATOM 0 HA PHE A 81 40.745 4.251 38.365 1.00 0.00 H new ATOM 564 N GLY A 82 37.592 4.528 39.376 1.00 0.00 N ATOM 565 CA GLY A 82 36.336 5.210 39.145 1.00 0.00 C ATOM 566 C GLY A 82 36.607 6.684 38.904 1.00 0.00 C ATOM 567 O GLY A 82 36.001 7.285 38.019 1.00 0.00 O ATOM 0 H GLY A 82 37.596 3.938 40.208 1.00 0.00 H new ATOM 0 HA2 GLY A 82 35.825 4.776 38.285 1.00 0.00 H new ATOM 0 HA3 GLY A 82 35.677 5.085 40.004 1.00 0.00 H new ATOM 571 N ALA A 83 37.529 7.264 39.680 1.00 0.00 N ATOM 572 CA ALA A 83 37.907 8.651 39.522 1.00 0.00 C ATOM 573 C ALA A 83 38.317 8.896 38.078 1.00 0.00 C ATOM 574 O ALA A 83 37.621 9.631 37.387 1.00 0.00 O ATOM 575 CB ALA A 83 39.057 8.977 40.471 1.00 0.00 C ATOM 0 H ALA A 83 38.025 6.779 40.428 1.00 0.00 H new ATOM 0 HA ALA A 83 37.064 9.298 39.764 1.00 0.00 H new ATOM 0 HB1 ALA A 83 39.342 10.022 40.352 1.00 0.00 H new ATOM 0 HB2 ALA A 83 38.741 8.802 41.499 1.00 0.00 H new ATOM 0 HB3 ALA A 83 39.911 8.340 40.240 1.00 0.00 H new ATOM 578 N LYS A 84 39.423 8.262 37.658 1.00 0.00 N ATOM 579 CA LYS A 84 39.963 8.400 36.308 1.00 0.00 C ATOM 580 C LYS A 84 38.835 8.444 35.288 1.00 0.00 C ATOM 581 O LYS A 84 38.895 9.183 34.307 1.00 0.00 O ATOM 582 CB LYS A 84 40.897 7.228 36.020 1.00 0.00 C ATOM 0 H LYS A 84 39.966 7.637 38.253 1.00 0.00 H new ATOM 0 HA LYS A 84 40.522 9.333 36.235 1.00 0.00 H new ATOM 585 N GLY A 85 37.792 7.666 35.567 1.00 0.00 N ATOM 586 CA GLY A 85 36.614 7.657 34.730 1.00 0.00 C ATOM 587 C GLY A 85 36.089 9.083 34.719 1.00 0.00 C ATOM 588 O GLY A 85 36.201 9.776 33.710 1.00 0.00 O ATOM 0 H GLY A 85 37.747 7.037 36.368 1.00 0.00 H new ATOM 0 HA2 GLY A 85 36.856 7.324 33.721 1.00 0.00 H new ATOM 0 HA3 GLY A 85 35.864 6.969 35.121 1.00 0.00 H new ATOM 592 N LYS A 86 35.517 9.489 35.857 1.00 0.00 N ATOM 593 CA LYS A 86 35.002 10.831 36.047 1.00 0.00 C ATOM 594 C LYS A 86 35.943 11.894 35.483 1.00 0.00 C ATOM 595 O LYS A 86 35.516 12.704 34.669 1.00 0.00 O ATOM 596 CB LYS A 86 34.753 11.071 37.533 1.00 0.00 C ATOM 0 H LYS A 86 35.402 8.886 36.671 1.00 0.00 H new ATOM 0 HA LYS A 86 34.064 10.915 35.497 1.00 0.00 H new ATOM 599 N ALA A 87 37.211 11.894 35.905 1.00 0.00 N ATOM 600 CA ALA A 87 38.187 12.871 35.453 1.00 0.00 C ATOM 601 C ALA A 87 38.257 12.949 33.934 1.00 0.00 C ATOM 602 O ALA A 87 38.143 14.036 33.368 1.00 0.00 O ATOM 603 CB ALA A 87 39.553 12.524 36.037 1.00 0.00 C ATOM 0 H ALA A 87 37.582 11.215 36.569 1.00 0.00 H new ATOM 0 HA ALA A 87 37.875 13.854 35.805 1.00 0.00 H new ATOM 0 HB1 ALA A 87 40.289 13.254 35.701 1.00 0.00 H new ATOM 0 HB2 ALA A 87 39.498 12.539 37.125 1.00 0.00 H new ATOM 0 HB3 ALA A 87 39.850 11.530 35.703 1.00 0.00 H new ATOM 606 N MET A 88 38.462 11.802 33.281 1.00 0.00 N ATOM 607 CA MET A 88 38.536 11.768 31.832 1.00 0.00 C ATOM 608 C MET A 88 37.235 12.353 31.302 1.00 0.00 C ATOM 609 O MET A 88 37.220 13.100 30.326 1.00 0.00 O ATOM 610 CB MET A 88 38.731 10.330 31.359 1.00 0.00 C ATOM 0 H MET A 88 38.578 10.896 33.735 1.00 0.00 H new ATOM 0 HA MET A 88 39.381 12.348 31.462 1.00 0.00 H new ATOM 613 N HIS A 89 36.146 12.012 31.989 1.00 0.00 N ATOM 614 CA HIS A 89 34.831 12.519 31.646 1.00 0.00 C ATOM 615 C HIS A 89 34.810 14.044 31.733 1.00 0.00 C ATOM 616 O HIS A 89 34.232 14.705 30.875 1.00 0.00 O ATOM 617 CB HIS A 89 33.792 11.913 32.587 1.00 0.00 C ATOM 0 H HIS A 89 36.156 11.382 32.791 1.00 0.00 H new ATOM 0 HA HIS A 89 34.592 12.235 30.621 1.00 0.00 H new ATOM 620 N GLU A 90 35.440 14.601 32.772 1.00 0.00 N ATOM 621 CA GLU A 90 35.475 16.037 32.978 1.00 0.00 C ATOM 622 C GLU A 90 36.056 16.746 31.762 1.00 0.00 C ATOM 623 O GLU A 90 35.411 17.613 31.177 1.00 0.00 O ATOM 624 CB GLU A 90 36.306 16.345 34.220 1.00 0.00 C ATOM 0 H GLU A 90 35.935 14.066 33.485 1.00 0.00 H new ATOM 0 HA GLU A 90 34.457 16.400 33.121 1.00 0.00 H new ATOM 627 N ALA A 91 37.280 16.374 31.387 1.00 0.00 N ATOM 628 CA ALA A 91 37.932 16.984 30.242 1.00 0.00 C ATOM 629 C ALA A 91 37.211 16.577 28.961 1.00 0.00 C ATOM 630 O ALA A 91 37.155 17.339 28.007 1.00 0.00 O ATOM 631 CB ALA A 91 39.396 16.566 30.209 1.00 0.00 C ATOM 0 H ALA A 91 37.832 15.658 31.859 1.00 0.00 H new ATOM 0 HA ALA A 91 37.887 18.070 30.324 1.00 0.00 H new ATOM 0 HB1 ALA A 91 39.886 17.024 29.350 1.00 0.00 H new ATOM 0 HB2 ALA A 91 39.889 16.894 31.124 1.00 0.00 H new ATOM 0 HB3 ALA A 91 39.463 15.481 30.129 1.00 0.00 H new ATOM 634 N GLY A 92 36.663 15.365 28.964 1.00 0.00 N ATOM 635 CA GLY A 92 35.938 14.849 27.817 1.00 0.00 C ATOM 636 C GLY A 92 34.755 15.750 27.454 1.00 0.00 C ATOM 637 O GLY A 92 34.733 16.381 26.394 1.00 0.00 O ATOM 0 H GLY A 92 36.710 14.722 29.755 1.00 0.00 H new ATOM 0 HA2 GLY A 92 36.612 14.769 26.964 1.00 0.00 H new ATOM 0 HA3 GLY A 92 35.578 13.843 28.034 1.00 0.00 H new ATOM 641 N GLY A 93 33.771 15.814 28.354 1.00 0.00 N ATOM 642 CA GLY A 93 32.570 16.590 28.141 1.00 0.00 C ATOM 643 C GLY A 93 32.880 18.077 28.065 1.00 0.00 C ATOM 644 O GLY A 93 32.289 18.784 27.252 1.00 0.00 O ATOM 0 H GLY A 93 33.795 15.325 29.249 1.00 0.00 H new ATOM 0 HA2 GLY A 93 32.086 16.269 27.218 1.00 0.00 H new ATOM 0 HA3 GLY A 93 31.866 16.404 28.952 1.00 0.00 H new ATOM 648 N ALA A 94 33.799 18.565 28.903 1.00 0.00 N ATOM 649 CA ALA A 94 34.150 19.968 28.916 1.00 0.00 C ATOM 650 C ALA A 94 34.947 20.331 27.672 1.00 0.00 C ATOM 651 O ALA A 94 34.937 21.487 27.256 1.00 0.00 O ATOM 652 CB ALA A 94 34.942 20.280 30.182 1.00 0.00 C ATOM 0 H ALA A 94 34.309 17.998 29.580 1.00 0.00 H new ATOM 0 HA ALA A 94 33.240 20.567 28.912 1.00 0.00 H new ATOM 0 HB1 ALA A 94 35.208 21.337 30.194 1.00 0.00 H new ATOM 0 HB2 ALA A 94 34.335 20.049 31.057 1.00 0.00 H new ATOM 0 HB3 ALA A 94 35.850 19.678 30.201 1.00 0.00 H new ATOM 655 N VAL A 95 35.634 19.352 27.072 1.00 0.00 N ATOM 656 CA VAL A 95 36.415 19.599 25.876 1.00 0.00 C ATOM 657 C VAL A 95 35.471 19.771 24.709 1.00 0.00 C ATOM 658 O VAL A 95 35.720 20.612 23.853 1.00 0.00 O ATOM 659 CB VAL A 95 37.399 18.471 25.579 1.00 0.00 C ATOM 0 H VAL A 95 35.659 18.387 27.402 1.00 0.00 H new ATOM 0 HA VAL A 95 37.004 20.502 26.037 1.00 0.00 H new ATOM 662 N ILE A 96 34.398 18.977 24.643 1.00 0.00 N ATOM 663 CA ILE A 96 33.440 19.120 23.567 1.00 0.00 C ATOM 664 C ILE A 96 32.697 20.441 23.723 1.00 0.00 C ATOM 665 O ILE A 96 32.339 21.075 22.733 1.00 0.00 O ATOM 666 CB ILE A 96 32.473 17.940 23.575 1.00 0.00 C ATOM 0 H ILE A 96 34.181 18.242 25.316 1.00 0.00 H new ATOM 0 HA ILE A 96 33.958 19.126 22.608 1.00 0.00 H new ATOM 669 N ALA A 97 32.478 20.864 24.972 1.00 0.00 N ATOM 670 CA ALA A 97 31.778 22.102 25.253 1.00 0.00 C ATOM 671 C ALA A 97 32.619 23.305 24.843 1.00 0.00 C ATOM 672 O ALA A 97 32.111 24.224 24.204 1.00 0.00 O ATOM 673 CB ALA A 97 31.442 22.167 26.739 1.00 0.00 C ATOM 0 H ALA A 97 32.781 20.357 25.803 1.00 0.00 H new ATOM 0 HA ALA A 97 30.855 22.127 24.673 1.00 0.00 H new ATOM 0 HB1 ALA A 97 30.916 23.097 26.953 1.00 0.00 H new ATOM 0 HB2 ALA A 97 30.808 21.322 27.006 1.00 0.00 H new ATOM 0 HB3 ALA A 97 32.362 22.129 27.322 1.00 0.00 H new ATOM 676 N ALA A 98 33.906 23.296 25.206 1.00 0.00 N ATOM 677 CA ALA A 98 34.804 24.390 24.886 1.00 0.00 C ATOM 678 C ALA A 98 35.227 24.301 23.425 1.00 0.00 C ATOM 679 O ALA A 98 35.518 25.310 22.792 1.00 0.00 O ATOM 680 CB ALA A 98 36.010 24.346 25.821 1.00 0.00 C ATOM 0 H ALA A 98 34.343 22.534 25.725 1.00 0.00 H new ATOM 0 HA ALA A 98 34.295 25.343 25.029 1.00 0.00 H new ATOM 0 HB1 ALA A 98 36.686 25.167 25.582 1.00 0.00 H new ATOM 0 HB2 ALA A 98 35.674 24.442 26.853 1.00 0.00 H new ATOM 0 HB3 ALA A 98 36.533 23.398 25.696 1.00 0.00 H new ATOM 683 N ALA A 99 35.277 23.084 22.890 1.00 0.00 N ATOM 684 CA ALA A 99 35.629 22.877 21.503 1.00 0.00 C ATOM 685 C ALA A 99 34.536 23.472 20.628 1.00 0.00 C ATOM 686 O ALA A 99 34.818 24.227 19.699 1.00 0.00 O ATOM 687 CB ALA A 99 35.786 21.384 21.234 1.00 0.00 C ATOM 0 H ALA A 99 35.076 22.227 23.406 1.00 0.00 H new ATOM 0 HA ALA A 99 36.575 23.367 21.274 1.00 0.00 H new ATOM 0 HB1 ALA A 99 36.051 21.229 20.188 1.00 0.00 H new ATOM 0 HB2 ALA A 99 36.572 20.980 21.872 1.00 0.00 H new ATOM 0 HB3 ALA A 99 34.847 20.875 21.449 1.00 0.00 H new ATOM 690 N ASN A 100 33.285 23.128 20.940 1.00 0.00 N ATOM 691 CA ASN A 100 32.141 23.614 20.196 1.00 0.00 C ATOM 692 C ASN A 100 31.827 25.057 20.574 1.00 0.00 C ATOM 693 O ASN A 100 31.841 25.938 19.718 1.00 0.00 O ATOM 694 CB ASN A 100 30.943 22.710 20.471 1.00 0.00 C ATOM 0 H ASN A 100 33.046 22.507 21.713 1.00 0.00 H new ATOM 0 HA ASN A 100 32.369 23.593 19.130 1.00 0.00 H new ATOM 697 N ALA A 101 31.541 25.297 21.856 1.00 0.00 N ATOM 698 CA ALA A 101 31.215 26.629 22.330 1.00 0.00 C ATOM 699 C ALA A 101 32.471 27.485 22.415 1.00 0.00 C ATOM 700 O ALA A 101 33.579 26.963 22.485 1.00 0.00 O ATOM 701 CB ALA A 101 30.534 26.534 23.693 1.00 0.00 C ATOM 0 H ALA A 101 31.531 24.579 22.580 1.00 0.00 H new ATOM 0 HA ALA A 101 30.531 27.102 21.625 1.00 0.00 H new ATOM 0 HB1 ALA A 101 30.290 27.535 24.048 1.00 0.00 H new ATOM 0 HB2 ALA A 101 29.620 25.948 23.603 1.00 0.00 H new ATOM 0 HB3 ALA A 101 31.206 26.051 24.403 1.00 0.00 H new ATOM 704 N GLY A 102 32.292 28.808 22.392 1.00 0.00 N ATOM 705 CA GLY A 102 33.402 29.741 22.464 1.00 0.00 C ATOM 706 C GLY A 102 34.309 29.442 23.653 1.00 0.00 C ATOM 707 O GLY A 102 34.102 29.979 24.739 1.00 0.00 O ATOM 0 H GLY A 102 31.377 29.253 22.323 1.00 0.00 H new ATOM 0 HA2 GLY A 102 33.981 29.691 21.542 1.00 0.00 H new ATOM 0 HA3 GLY A 102 33.019 30.758 22.544 1.00 0.00 H new ATOM 711 N ASP A 103 35.326 28.598 23.442 1.00 0.00 N ATOM 712 CA ASP A 103 36.268 28.248 24.489 1.00 0.00 C ATOM 713 C ASP A 103 37.251 27.206 23.970 1.00 0.00 C ATOM 714 O ASP A 103 37.679 26.325 24.714 1.00 0.00 O ATOM 715 CB ASP A 103 35.507 27.717 25.701 1.00 0.00 C ATOM 0 H ASP A 103 35.510 28.147 22.546 1.00 0.00 H new ATOM 0 HA ASP A 103 36.830 29.132 24.789 1.00 0.00 H new ATOM 718 N GLY A 104 37.600 27.302 22.685 1.00 0.00 N ATOM 719 CA GLY A 104 38.507 26.360 22.059 1.00 0.00 C ATOM 720 C GLY A 104 39.856 26.358 22.763 1.00 0.00 C ATOM 721 O GLY A 104 40.589 25.371 22.706 1.00 0.00 O ATOM 0 H GLY A 104 37.260 28.033 22.060 1.00 0.00 H new ATOM 0 HA2 GLY A 104 38.076 25.359 22.087 1.00 0.00 H new ATOM 0 HA3 GLY A 104 38.640 26.620 21.009 1.00 0.00 H new ATOM 725 N ALA A 105 40.176 27.454 23.454 1.00 0.00 N ATOM 726 CA ALA A 105 41.439 27.571 24.148 1.00 0.00 C ATOM 727 C ALA A 105 41.460 26.570 25.290 1.00 0.00 C ATOM 728 O ALA A 105 42.200 25.588 25.246 1.00 0.00 O ATOM 729 CB ALA A 105 41.608 28.996 24.666 1.00 0.00 C ATOM 0 H ALA A 105 39.570 28.269 23.542 1.00 0.00 H new ATOM 0 HA ALA A 105 42.267 27.357 23.472 1.00 0.00 H new ATOM 0 HB1 ALA A 105 42.560 29.083 25.189 1.00 0.00 H new ATOM 0 HB2 ALA A 105 41.590 29.692 23.828 1.00 0.00 H new ATOM 0 HB3 ALA A 105 40.795 29.233 25.352 1.00 0.00 H new ATOM 732 N ALA A 106 40.642 26.809 26.319 1.00 0.00 N ATOM 733 CA ALA A 106 40.561 25.923 27.457 1.00 0.00 C ATOM 734 C ALA A 106 40.057 24.556 27.020 1.00 0.00 C ATOM 735 O ALA A 106 40.111 23.609 27.801 1.00 0.00 O ATOM 736 CB ALA A 106 39.632 26.530 28.504 1.00 0.00 C ATOM 0 H ALA A 106 40.026 27.620 26.376 1.00 0.00 H new ATOM 0 HA ALA A 106 41.552 25.797 27.893 1.00 0.00 H new ATOM 0 HB1 ALA A 106 39.569 25.864 29.364 1.00 0.00 H new ATOM 0 HB2 ALA A 106 40.024 27.496 28.822 1.00 0.00 H new ATOM 0 HB3 ALA A 106 38.639 26.664 28.075 1.00 0.00 H new ATOM 739 N PHE A 107 39.569 24.443 25.779 1.00 0.00 N ATOM 740 CA PHE A 107 39.089 23.180 25.256 1.00 0.00 C ATOM 741 C PHE A 107 40.299 22.346 24.865 1.00 0.00 C ATOM 742 O PHE A 107 40.291 21.125 25.007 1.00 0.00 O ATOM 743 CB PHE A 107 38.193 23.433 24.048 1.00 0.00 C ATOM 0 H PHE A 107 39.500 25.221 25.123 1.00 0.00 H new ATOM 0 HA PHE A 107 38.502 22.648 26.005 1.00 0.00 H new ATOM 746 N GLY A 108 41.350 23.017 24.385 1.00 0.00 N ATOM 747 CA GLY A 108 42.577 22.343 24.011 1.00 0.00 C ATOM 748 C GLY A 108 43.293 21.907 25.284 1.00 0.00 C ATOM 749 O GLY A 108 43.776 20.780 25.384 1.00 0.00 O ATOM 0 H GLY A 108 41.367 24.028 24.250 1.00 0.00 H new ATOM 0 HA2 GLY A 108 42.359 21.479 23.383 1.00 0.00 H new ATOM 0 HA3 GLY A 108 43.213 23.009 23.427 1.00 0.00 H new ATOM 753 N ALA A 109 43.332 22.803 26.273 1.00 0.00 N ATOM 754 CA ALA A 109 43.968 22.512 27.543 1.00 0.00 C ATOM 755 C ALA A 109 43.108 21.511 28.304 1.00 0.00 C ATOM 756 O ALA A 109 43.612 20.742 29.120 1.00 0.00 O ATOM 757 CB ALA A 109 44.127 23.804 28.338 1.00 0.00 C ATOM 0 H ALA A 109 42.927 23.737 26.210 1.00 0.00 H new ATOM 0 HA ALA A 109 44.957 22.082 27.384 1.00 0.00 H new ATOM 0 HB1 ALA A 109 44.605 23.587 29.293 1.00 0.00 H new ATOM 0 HB2 ALA A 109 44.744 24.504 27.775 1.00 0.00 H new ATOM 0 HB3 ALA A 109 43.146 24.245 28.515 1.00 0.00 H new ATOM 760 N ALA A 110 41.805 21.520 28.016 1.00 0.00 N ATOM 761 CA ALA A 110 40.868 20.622 28.658 1.00 0.00 C ATOM 762 C ALA A 110 41.161 19.191 28.231 1.00 0.00 C ATOM 763 O ALA A 110 41.301 18.298 29.068 1.00 0.00 O ATOM 764 CB ALA A 110 39.445 21.017 28.275 1.00 0.00 C ATOM 0 H ALA A 110 41.381 22.149 27.334 1.00 0.00 H new ATOM 0 HA ALA A 110 40.971 20.690 29.741 1.00 0.00 H new ATOM 0 HB1 ALA A 110 38.738 20.342 28.757 1.00 0.00 H new ATOM 0 HB2 ALA A 110 39.251 22.039 28.600 1.00 0.00 H new ATOM 0 HB3 ALA A 110 39.328 20.952 27.193 1.00 0.00 H new ATOM 767 N LEU A 111 41.276 18.966 26.920 1.00 0.00 N ATOM 768 CA LEU A 111 41.532 17.650 26.389 1.00 0.00 C ATOM 769 C LEU A 111 42.956 17.228 26.705 1.00 0.00 C ATOM 770 O LEU A 111 43.240 16.034 26.766 1.00 0.00 O ATOM 771 CB LEU A 111 41.294 17.662 24.883 1.00 0.00 C ATOM 0 H LEU A 111 41.193 19.694 26.211 1.00 0.00 H new ATOM 0 HA LEU A 111 40.855 16.930 26.850 1.00 0.00 H new ATOM 774 N GLN A 112 43.861 18.189 26.918 1.00 0.00 N ATOM 775 CA GLN A 112 45.239 17.887 27.240 1.00 0.00 C ATOM 776 C GLN A 112 45.296 17.229 28.608 1.00 0.00 C ATOM 777 O GLN A 112 45.984 16.225 28.779 1.00 0.00 O ATOM 778 CB GLN A 112 46.059 19.174 27.224 1.00 0.00 C ATOM 0 H GLN A 112 43.651 19.186 26.870 1.00 0.00 H new ATOM 0 HA GLN A 112 45.657 17.202 26.502 1.00 0.00 H new ATOM 781 N LYS A 113 44.571 17.779 29.586 1.00 0.00 N ATOM 782 CA LYS A 113 44.538 17.220 30.919 1.00 0.00 C ATOM 783 C LYS A 113 43.902 15.842 30.836 1.00 0.00 C ATOM 784 O LYS A 113 44.354 14.904 31.493 1.00 0.00 O ATOM 785 CB LYS A 113 43.733 18.136 31.836 1.00 0.00 C ATOM 0 H LYS A 113 44.000 18.616 29.467 1.00 0.00 H new ATOM 0 HA LYS A 113 45.544 17.132 31.328 1.00 0.00 H new ATOM 788 N LEU A 114 42.861 15.718 30.005 1.00 0.00 N ATOM 789 CA LEU A 114 42.192 14.448 29.811 1.00 0.00 C ATOM 790 C LEU A 114 43.218 13.459 29.281 1.00 0.00 C ATOM 791 O LEU A 114 43.248 12.299 29.689 1.00 0.00 O ATOM 792 CB LEU A 114 41.074 14.613 28.786 1.00 0.00 C ATOM 0 H LEU A 114 42.471 16.488 29.461 1.00 0.00 H new ATOM 0 HA LEU A 114 41.765 14.094 30.749 1.00 0.00 H new ATOM 795 N GLY A 115 44.066 13.944 28.372 1.00 0.00 N ATOM 796 CA GLY A 115 45.085 13.128 27.748 1.00 0.00 C ATOM 797 C GLY A 115 46.050 12.591 28.790 1.00 0.00 C ATOM 798 O GLY A 115 46.288 11.388 28.847 1.00 0.00 O ATOM 0 H GLY A 115 44.058 14.913 28.055 1.00 0.00 H new ATOM 0 HA2 GLY A 115 44.619 12.300 27.214 1.00 0.00 H new ATOM 0 HA3 GLY A 115 45.629 13.717 27.010 1.00 0.00 H new ATOM 802 N GLY A 116 46.593 13.481 29.623 1.00 0.00 N ATOM 803 CA GLY A 116 47.543 13.097 30.643 1.00 0.00 C ATOM 804 C GLY A 116 46.960 11.999 31.516 1.00 0.00 C ATOM 805 O GLY A 116 47.420 10.861 31.451 1.00 0.00 O ATOM 0 H GLY A 116 46.382 14.479 29.602 1.00 0.00 H new ATOM 0 HA2 GLY A 116 48.466 12.751 30.179 1.00 0.00 H new ATOM 0 HA3 GLY A 116 47.799 13.961 31.256 1.00 0.00 H new ATOM 809 N THR A 117 45.950 12.348 32.321 1.00 0.00 N ATOM 810 CA THR A 117 45.305 11.417 33.232 1.00 0.00 C ATOM 811 C THR A 117 45.019 10.060 32.599 1.00 0.00 C ATOM 812 O THR A 117 45.620 9.058 32.984 1.00 0.00 O ATOM 813 CB THR A 117 44.008 12.040 33.741 1.00 0.00 C ATOM 0 H THR A 117 45.561 13.290 32.353 1.00 0.00 H new ATOM 0 HA THR A 117 45.995 11.233 34.055 1.00 0.00 H new ATOM 816 N CYS A 118 44.105 10.027 31.628 1.00 0.00 N ATOM 817 CA CYS A 118 43.715 8.787 30.985 1.00 0.00 C ATOM 818 C CYS A 118 44.875 8.116 30.261 1.00 0.00 C ATOM 819 O CYS A 118 45.320 7.041 30.668 1.00 0.00 O ATOM 820 CB CYS A 118 42.571 9.066 30.014 1.00 0.00 C ATOM 0 H CYS A 118 43.623 10.853 31.273 1.00 0.00 H new ATOM 0 HA CYS A 118 43.389 8.094 31.760 1.00 0.00 H new ATOM 823 N LYS A 119 45.348 8.744 29.178 1.00 0.00 N ATOM 824 CA LYS A 119 46.412 8.189 28.364 1.00 0.00 C ATOM 825 C LYS A 119 47.606 7.766 29.202 1.00 0.00 C ATOM 826 O LYS A 119 47.885 6.574 29.269 1.00 0.00 O ATOM 827 CB LYS A 119 46.825 9.177 27.277 1.00 0.00 C ATOM 0 H LYS A 119 45.000 9.645 28.851 1.00 0.00 H new ATOM 0 HA LYS A 119 46.026 7.290 27.885 1.00 0.00 H new ATOM 830 N ALA A 120 48.304 8.728 29.819 1.00 0.00 N ATOM 831 CA ALA A 120 49.479 8.433 30.626 1.00 0.00 C ATOM 832 C ALA A 120 49.215 7.278 31.590 1.00 0.00 C ATOM 833 O ALA A 120 49.921 6.249 31.558 1.00 0.00 O ATOM 834 CB ALA A 120 49.918 9.677 31.391 1.00 0.00 C ATOM 0 H ALA A 120 48.068 9.719 29.770 1.00 0.00 H new ATOM 0 HA ALA A 120 50.282 8.129 29.955 1.00 0.00 H new ATOM 0 HB1 ALA A 120 50.798 9.444 31.991 1.00 0.00 H new ATOM 0 HB2 ALA A 120 50.160 10.471 30.685 1.00 0.00 H new ATOM 0 HB3 ALA A 120 49.110 10.006 32.044 1.00 0.00 H new ATOM 837 N CYS A 121 48.121 7.432 32.359 1.00 0.00 N ATOM 838 CA CYS A 121 47.729 6.474 33.366 1.00 0.00 C ATOM 839 C CYS A 121 48.045 5.132 32.775 1.00 0.00 C ATOM 840 O CYS A 121 49.024 4.576 33.267 1.00 0.00 O ATOM 841 CB CYS A 121 46.241 6.614 33.672 1.00 0.00 C ATOM 0 H CYS A 121 47.493 8.233 32.286 1.00 0.00 H new ATOM 0 HA CYS A 121 48.252 6.622 34.311 1.00 0.00 H new ATOM 844 N HIS A 122 47.373 4.785 31.656 1.00 0.00 N ATOM 845 CA HIS A 122 47.605 3.562 30.882 1.00 0.00 C ATOM 846 C HIS A 122 49.034 3.494 30.336 1.00 0.00 C ATOM 847 O HIS A 122 49.794 2.641 30.788 1.00 0.00 O ATOM 848 CB HIS A 122 46.598 3.496 29.737 1.00 0.00 C ATOM 0 H HIS A 122 46.635 5.369 31.261 1.00 0.00 H new ATOM 0 HA HIS A 122 47.473 2.707 31.545 1.00 0.00 H new ATOM 851 N ASP A 123 49.382 4.341 29.346 1.00 0.00 N ATOM 852 CA ASP A 123 50.753 4.476 28.832 1.00 0.00 C ATOM 853 C ASP A 123 51.472 5.192 29.967 1.00 0.00 C ATOM 854 O ASP A 123 51.905 6.334 29.849 1.00 0.00 O ATOM 855 CB ASP A 123 50.756 5.306 27.551 1.00 0.00 C ATOM 0 H ASP A 123 48.712 4.953 28.880 1.00 0.00 H new ATOM 0 HA ASP A 123 51.224 3.529 28.569 1.00 0.00 H new ATOM 858 N ASP A 124 51.769 4.381 30.970 1.00 0.00 N ATOM 859 CA ASP A 124 52.023 4.600 32.367 1.00 0.00 C ATOM 860 C ASP A 124 52.622 5.866 32.854 1.00 0.00 C ATOM 861 O ASP A 124 53.783 6.221 32.665 1.00 0.00 O ATOM 862 CB ASP A 124 53.016 3.512 32.763 1.00 0.00 C ATOM 0 H ASP A 124 51.847 3.383 30.772 1.00 0.00 H new ATOM 0 HA ASP A 124 51.025 4.614 32.804 1.00 0.00 H new ATOM 865 N TYR A 125 51.667 6.515 33.541 1.00 0.00 N ATOM 866 CA TYR A 125 51.899 7.793 34.182 1.00 0.00 C ATOM 867 C TYR A 125 52.611 7.568 35.507 1.00 0.00 C ATOM 868 O TYR A 125 53.557 8.280 35.837 1.00 0.00 O ATOM 869 CB TYR A 125 50.565 8.500 34.398 1.00 0.00 C ATOM 0 H TYR A 125 50.719 6.158 33.660 1.00 0.00 H new ATOM 0 HA TYR A 125 52.527 8.421 33.550 1.00 0.00 H new ATOM 872 N ARG A 126 52.150 6.567 36.262 1.00 0.00 N ATOM 873 CA ARG A 126 52.730 6.240 37.549 1.00 0.00 C ATOM 874 C ARG A 126 54.230 6.015 37.411 1.00 0.00 C ATOM 875 O ARG A 126 54.984 6.298 38.339 1.00 0.00 O ATOM 876 CB ARG A 126 52.049 4.993 38.106 1.00 0.00 C ATOM 0 H ARG A 126 51.369 5.969 35.993 1.00 0.00 H new ATOM 0 HA ARG A 126 52.575 7.070 38.238 1.00 0.00 H new ATOM 879 N GLU A 127 54.661 5.514 36.250 1.00 0.00 N ATOM 880 CA GLU A 127 56.067 5.254 36.009 1.00 0.00 C ATOM 881 C GLU A 127 56.339 5.114 34.517 1.00 0.00 C ATOM 882 O GLU A 127 56.533 4.005 34.024 1.00 0.00 O ATOM 883 CB GLU A 127 56.480 3.986 36.751 1.00 0.00 C ATOM 0 H GLU A 127 54.049 5.283 35.467 1.00 0.00 H new ATOM 0 HA GLU A 127 56.655 6.094 36.379 1.00 0.00 H new ATOM 886 N GLU A 128 56.366 6.244 33.805 1.00 0.00 N ATOM 887 CA GLU A 128 56.626 6.253 32.379 1.00 0.00 C ATOM 888 C GLU A 128 58.121 6.117 32.130 1.00 0.00 C ATOM 889 O GLU A 128 58.898 5.973 33.071 1.00 0.00 O ATOM 890 CB GLU A 128 56.096 7.551 31.776 1.00 0.00 C ATOM 0 H GLU A 128 56.208 7.169 34.206 1.00 0.00 H new ATOM 0 HA GLU A 128 56.118 5.412 31.906 1.00 0.00 H new ATOM 893 N ASP A 129 58.524 6.164 30.858 1.00 0.00 N ATOM 894 CA ASP A 129 59.921 6.047 30.492 1.00 0.00 C ATOM 895 C ASP A 129 60.653 7.337 30.833 1.00 0.00 C ATOM 896 O ASP A 129 60.834 7.583 32.045 1.00 0.00 O ATOM 897 CB ASP A 129 60.032 5.738 29.002 1.00 0.00 C ATOM 0 H ASP A 129 57.892 6.283 30.067 1.00 0.00 H new ATOM 0 HA ASP A 129 60.381 5.233 31.052 1.00 0.00 H new TER 900 ASP A 129 HETATM 901 FE HEM A 130 42.620 3.994 29.030 1.00 0.00 FE