USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=1 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+ -127:sc= 0.171 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 35.363 -21.672 28.219 1.00 0.00 N ATOM 2 CA ALA A 1 35.124 -20.443 27.488 1.00 0.00 C ATOM 3 C ALA A 1 36.187 -20.286 26.411 1.00 0.00 C ATOM 4 O ALA A 1 37.075 -21.127 26.285 1.00 0.00 O ATOM 5 CB ALA A 1 35.156 -19.266 28.459 1.00 0.00 C ATOM 0 H1 ALA A 1 34.495 -22.245 28.227 1.00 0.00 H new ATOM 0 H2 ALA A 1 36.127 -22.207 27.759 1.00 0.00 H new ATOM 0 H3 ALA A 1 35.638 -21.447 29.196 1.00 0.00 H new ATOM 0 HA ALA A 1 34.145 -20.473 27.009 1.00 0.00 H new ATOM 0 HB1 ALA A 1 34.977 -18.339 27.914 1.00 0.00 H new ATOM 0 HB2 ALA A 1 34.382 -19.397 29.216 1.00 0.00 H new ATOM 0 HB3 ALA A 1 36.132 -19.219 28.942 1.00 0.00 H new ATOM 7 N ASP A 2 36.095 -19.205 25.632 1.00 0.00 N ATOM 8 CA ASP A 2 37.046 -18.943 24.571 1.00 0.00 C ATOM 9 C ASP A 2 36.620 -17.707 23.791 1.00 0.00 C ATOM 10 O ASP A 2 36.341 -17.792 22.597 1.00 0.00 O ATOM 11 CB ASP A 2 37.131 -20.159 23.653 1.00 0.00 C ATOM 0 H ASP A 2 35.364 -18.499 25.724 1.00 0.00 H new ATOM 0 HA ASP A 2 38.032 -18.757 24.998 1.00 0.00 H new ATOM 14 N THR A 3 36.572 -16.558 24.470 1.00 0.00 N ATOM 15 CA THR A 3 36.181 -15.311 23.842 1.00 0.00 C ATOM 16 C THR A 3 36.652 -14.136 24.687 1.00 0.00 C ATOM 17 O THR A 3 37.306 -14.327 25.710 1.00 0.00 O ATOM 18 CB THR A 3 34.665 -15.282 23.673 1.00 0.00 C ATOM 0 H THR A 3 36.802 -16.474 25.460 1.00 0.00 H new ATOM 0 HA THR A 3 36.645 -15.234 22.859 1.00 0.00 H new ATOM 21 N LYS A 4 36.316 -12.919 24.252 1.00 0.00 N ATOM 22 CA LYS A 4 36.700 -11.713 24.959 1.00 0.00 C ATOM 23 C LYS A 4 35.800 -10.567 24.530 1.00 0.00 C ATOM 24 O LYS A 4 36.267 -9.610 23.939 1.00 0.00 O ATOM 25 CB LYS A 4 38.164 -11.396 24.666 1.00 0.00 C ATOM 0 H LYS A 4 35.774 -12.751 23.405 1.00 0.00 H new ATOM 0 HA LYS A 4 36.586 -11.858 26.033 1.00 0.00 H new ATOM 28 N GLU A 5 34.507 -10.672 24.839 1.00 0.00 N ATOM 29 CA GLU A 5 33.543 -9.650 24.483 1.00 0.00 C ATOM 30 C GLU A 5 33.708 -8.443 25.396 1.00 0.00 C ATOM 31 O GLU A 5 33.673 -7.305 24.936 1.00 0.00 O ATOM 32 CB GLU A 5 32.134 -10.224 24.599 1.00 0.00 C ATOM 0 H GLU A 5 34.108 -11.466 25.340 1.00 0.00 H new ATOM 0 HA GLU A 5 33.710 -9.328 23.455 1.00 0.00 H new ATOM 35 N VAL A 6 33.893 -8.697 26.694 1.00 0.00 N ATOM 36 CA VAL A 6 34.055 -7.637 27.669 1.00 0.00 C ATOM 37 C VAL A 6 35.307 -6.826 27.372 1.00 0.00 C ATOM 38 O VAL A 6 35.262 -5.598 27.368 1.00 0.00 O ATOM 39 CB VAL A 6 34.120 -8.241 29.069 1.00 0.00 C ATOM 0 H VAL A 6 33.933 -9.637 27.087 1.00 0.00 H new ATOM 0 HA VAL A 6 33.200 -6.963 27.613 1.00 0.00 H new ATOM 42 N LEU A 7 36.427 -7.507 27.118 1.00 0.00 N ATOM 43 CA LEU A 7 37.677 -6.833 26.824 1.00 0.00 C ATOM 44 C LEU A 7 37.591 -6.187 25.449 1.00 0.00 C ATOM 45 O LEU A 7 37.934 -5.020 25.294 1.00 0.00 O ATOM 46 CB LEU A 7 38.822 -7.840 26.879 1.00 0.00 C ATOM 0 H LEU A 7 36.486 -8.525 27.112 1.00 0.00 H new ATOM 0 HA LEU A 7 37.864 -6.054 27.563 1.00 0.00 H new ATOM 49 N GLU A 8 37.145 -6.963 24.460 1.00 0.00 N ATOM 50 CA GLU A 8 37.000 -6.478 23.097 1.00 0.00 C ATOM 51 C GLU A 8 36.199 -5.182 23.057 1.00 0.00 C ATOM 52 O GLU A 8 36.621 -4.204 22.440 1.00 0.00 O ATOM 53 CB GLU A 8 36.332 -7.541 22.234 1.00 0.00 C ATOM 0 H GLU A 8 36.877 -7.939 24.585 1.00 0.00 H new ATOM 0 HA GLU A 8 37.994 -6.270 22.701 1.00 0.00 H new ATOM 56 N ALA A 9 35.041 -5.163 23.720 1.00 0.00 N ATOM 57 CA ALA A 9 34.212 -3.979 23.760 1.00 0.00 C ATOM 58 C ALA A 9 35.038 -2.891 24.415 1.00 0.00 C ATOM 59 O ALA A 9 34.996 -1.733 24.003 1.00 0.00 O ATOM 60 CB ALA A 9 32.940 -4.263 24.554 1.00 0.00 C ATOM 0 H ALA A 9 34.665 -5.960 24.234 1.00 0.00 H new ATOM 0 HA ALA A 9 33.904 -3.669 22.761 1.00 0.00 H new ATOM 0 HB1 ALA A 9 32.320 -3.367 24.580 1.00 0.00 H new ATOM 0 HB2 ALA A 9 32.387 -5.073 24.078 1.00 0.00 H new ATOM 0 HB3 ALA A 9 33.203 -4.552 25.571 1.00 0.00 H new ATOM 63 N ARG A 10 35.812 -3.280 25.429 1.00 0.00 N ATOM 64 CA ARG A 10 36.685 -2.358 26.120 1.00 0.00 C ATOM 65 C ARG A 10 37.685 -1.791 25.122 1.00 0.00 C ATOM 66 O ARG A 10 38.084 -0.634 25.234 1.00 0.00 O ATOM 67 CB ARG A 10 37.402 -3.087 27.254 1.00 0.00 C ATOM 0 H ARG A 10 35.845 -4.236 25.784 1.00 0.00 H new ATOM 0 HA ARG A 10 36.109 -1.539 26.551 1.00 0.00 H new ATOM 70 N GLU A 11 38.082 -2.598 24.132 1.00 0.00 N ATOM 71 CA GLU A 11 39.020 -2.143 23.128 1.00 0.00 C ATOM 72 C GLU A 11 38.357 -0.993 22.391 1.00 0.00 C ATOM 73 O GLU A 11 38.996 0.006 22.066 1.00 0.00 O ATOM 74 CB GLU A 11 39.350 -3.288 22.176 1.00 0.00 C ATOM 0 H GLU A 11 37.765 -3.560 24.014 1.00 0.00 H new ATOM 0 HA GLU A 11 39.956 -1.811 23.577 1.00 0.00 H new ATOM 77 N ALA A 12 37.055 -1.144 22.151 1.00 0.00 N ATOM 78 CA ALA A 12 36.272 -0.132 21.468 1.00 0.00 C ATOM 79 C ALA A 12 36.278 1.142 22.301 1.00 0.00 C ATOM 80 O ALA A 12 36.423 2.239 21.768 1.00 0.00 O ATOM 81 CB ALA A 12 34.846 -0.641 21.279 1.00 0.00 C ATOM 0 H ALA A 12 36.522 -1.969 22.425 1.00 0.00 H new ATOM 0 HA ALA A 12 36.700 0.081 20.488 1.00 0.00 H new ATOM 0 HB1 ALA A 12 34.254 0.117 20.766 1.00 0.00 H new ATOM 0 HB2 ALA A 12 34.861 -1.554 20.684 1.00 0.00 H new ATOM 0 HB3 ALA A 12 34.402 -0.850 22.252 1.00 0.00 H new ATOM 84 N TYR A 13 36.129 0.983 23.618 1.00 0.00 N ATOM 85 CA TYR A 13 36.123 2.108 24.531 1.00 0.00 C ATOM 86 C TYR A 13 37.470 2.814 24.468 1.00 0.00 C ATOM 87 O TYR A 13 37.558 4.017 24.707 1.00 0.00 O ATOM 88 CB TYR A 13 35.838 1.611 25.946 1.00 0.00 C ATOM 0 H TYR A 13 36.011 0.076 24.070 1.00 0.00 H new ATOM 0 HA TYR A 13 35.344 2.816 24.248 1.00 0.00 H new ATOM 91 N PHE A 14 38.519 2.062 24.124 1.00 0.00 N ATOM 92 CA PHE A 14 39.857 2.609 24.026 1.00 0.00 C ATOM 93 C PHE A 14 39.954 3.471 22.777 1.00 0.00 C ATOM 94 O PHE A 14 40.609 4.510 22.787 1.00 0.00 O ATOM 95 CB PHE A 14 40.869 1.468 23.977 1.00 0.00 C ATOM 0 H PHE A 14 38.457 1.067 23.909 1.00 0.00 H new ATOM 0 HA PHE A 14 40.075 3.228 24.897 1.00 0.00 H new ATOM 98 N LYS A 15 39.294 3.038 21.699 1.00 0.00 N ATOM 99 CA LYS A 15 39.296 3.776 20.451 1.00 0.00 C ATOM 100 C LYS A 15 38.561 5.096 20.640 1.00 0.00 C ATOM 101 O LYS A 15 38.976 6.124 20.109 1.00 0.00 O ATOM 102 CB LYS A 15 38.629 2.936 19.366 1.00 0.00 C ATOM 0 H LYS A 15 38.751 2.175 21.675 1.00 0.00 H new ATOM 0 HA LYS A 15 40.320 3.990 20.147 1.00 0.00 H new ATOM 105 N SER A 16 37.470 5.064 21.409 1.00 0.00 N ATOM 106 CA SER A 16 36.687 6.256 21.671 1.00 0.00 C ATOM 107 C SER A 16 37.572 7.293 22.349 1.00 0.00 C ATOM 108 O SER A 16 37.831 8.358 21.789 1.00 0.00 O ATOM 109 CB SER A 16 35.494 5.899 22.553 1.00 0.00 C ATOM 0 H SER A 16 37.115 4.220 21.858 1.00 0.00 H new ATOM 0 HA SER A 16 36.311 6.672 20.736 1.00 0.00 H new ATOM 112 N LEU A 17 38.038 6.972 23.560 1.00 0.00 N ATOM 113 CA LEU A 17 38.904 7.864 24.303 1.00 0.00 C ATOM 114 C LEU A 17 40.121 8.173 23.445 1.00 0.00 C ATOM 115 O LEU A 17 40.675 9.269 23.509 1.00 0.00 O ATOM 116 CB LEU A 17 39.317 7.199 25.613 1.00 0.00 C ATOM 0 H LEU A 17 37.824 6.097 24.039 1.00 0.00 H new ATOM 0 HA LEU A 17 38.386 8.793 24.542 1.00 0.00 H new ATOM 119 N GLY A 18 40.517 7.201 22.620 1.00 0.00 N ATOM 120 CA GLY A 18 41.650 7.360 21.735 1.00 0.00 C ATOM 121 C GLY A 18 41.383 8.531 20.805 1.00 0.00 C ATOM 122 O GLY A 18 41.955 9.603 20.992 1.00 0.00 O ATOM 0 H GLY A 18 40.059 6.292 22.554 1.00 0.00 H new ATOM 0 HA2 GLY A 18 42.558 7.535 22.312 1.00 0.00 H new ATOM 0 HA3 GLY A 18 41.810 6.449 21.159 1.00 0.00 H new ATOM 126 N GLY A 19 40.518 8.319 19.805 1.00 0.00 N ATOM 127 CA GLY A 19 40.142 9.318 18.825 1.00 0.00 C ATOM 128 C GLY A 19 39.961 10.719 19.385 1.00 0.00 C ATOM 129 O GLY A 19 40.407 11.674 18.754 1.00 0.00 O ATOM 0 H GLY A 19 40.055 7.422 19.661 1.00 0.00 H new ATOM 0 HA2 GLY A 19 40.904 9.348 18.046 1.00 0.00 H new ATOM 0 HA3 GLY A 19 39.212 9.008 18.349 1.00 0.00 H new ATOM 133 N SER A 20 39.328 10.888 20.551 1.00 0.00 N ATOM 134 CA SER A 20 39.157 12.211 21.115 1.00 0.00 C ATOM 135 C SER A 20 40.530 12.808 21.401 1.00 0.00 C ATOM 136 O SER A 20 40.826 13.905 20.934 1.00 0.00 O ATOM 137 CB SER A 20 38.336 12.111 22.397 1.00 0.00 C ATOM 0 H SER A 20 38.934 10.130 21.108 1.00 0.00 H new ATOM 0 HA SER A 20 38.629 12.856 20.413 1.00 0.00 H new ATOM 140 N MET A 21 41.377 12.095 22.158 1.00 0.00 N ATOM 141 CA MET A 21 42.707 12.546 22.511 1.00 0.00 C ATOM 142 C MET A 21 43.501 13.041 21.308 1.00 0.00 C ATOM 143 O MET A 21 44.052 14.136 21.344 1.00 0.00 O ATOM 144 CB MET A 21 43.451 11.396 23.183 1.00 0.00 C ATOM 0 H MET A 21 41.143 11.179 22.541 1.00 0.00 H new ATOM 0 HA MET A 21 42.604 13.393 23.189 1.00 0.00 H new ATOM 147 N LYS A 22 43.584 12.223 20.257 1.00 0.00 N ATOM 148 CA LYS A 22 44.340 12.555 19.060 1.00 0.00 C ATOM 149 C LYS A 22 43.793 13.780 18.329 1.00 0.00 C ATOM 150 O LYS A 22 44.541 14.709 18.033 1.00 0.00 O ATOM 151 CB LYS A 22 44.346 11.347 18.128 1.00 0.00 C ATOM 0 H LYS A 22 43.127 11.312 20.217 1.00 0.00 H new ATOM 0 HA LYS A 22 45.354 12.808 19.369 1.00 0.00 H new ATOM 154 N ALA A 23 42.492 13.776 18.028 1.00 0.00 N ATOM 155 CA ALA A 23 41.869 14.881 17.313 1.00 0.00 C ATOM 156 C ALA A 23 41.863 16.138 18.180 1.00 0.00 C ATOM 157 O ALA A 23 41.853 17.259 17.674 1.00 0.00 O ATOM 158 CB ALA A 23 40.447 14.490 16.921 1.00 0.00 C ATOM 0 H ALA A 23 41.854 13.018 18.270 1.00 0.00 H new ATOM 0 HA ALA A 23 42.441 15.097 16.410 1.00 0.00 H new ATOM 0 HB1 ALA A 23 39.977 15.315 16.385 1.00 0.00 H new ATOM 0 HB2 ALA A 23 40.476 13.610 16.279 1.00 0.00 H new ATOM 0 HB3 ALA A 23 39.871 14.265 17.819 1.00 0.00 H new ATOM 161 N MET A 24 41.897 15.922 19.495 1.00 0.00 N ATOM 162 CA MET A 24 41.894 17.003 20.460 1.00 0.00 C ATOM 163 C MET A 24 43.304 17.558 20.566 1.00 0.00 C ATOM 164 O MET A 24 43.498 18.761 20.732 1.00 0.00 O ATOM 165 CB MET A 24 41.414 16.487 21.814 1.00 0.00 C ATOM 0 H MET A 24 41.927 14.992 19.913 1.00 0.00 H new ATOM 0 HA MET A 24 41.216 17.794 20.140 1.00 0.00 H new ATOM 168 N THR A 25 44.289 16.666 20.455 1.00 0.00 N ATOM 169 CA THR A 25 45.685 17.034 20.543 1.00 0.00 C ATOM 170 C THR A 25 46.087 17.862 19.334 1.00 0.00 C ATOM 171 O THR A 25 46.532 18.997 19.488 1.00 0.00 O ATOM 172 CB THR A 25 46.536 15.771 20.640 1.00 0.00 C ATOM 0 H THR A 25 44.132 15.670 20.302 1.00 0.00 H new ATOM 0 HA THR A 25 45.846 17.639 21.436 1.00 0.00 H new ATOM 175 N GLY A 26 45.939 17.307 18.128 1.00 0.00 N ATOM 176 CA GLY A 26 46.309 17.991 16.906 1.00 0.00 C ATOM 177 C GLY A 26 45.469 19.236 16.666 1.00 0.00 C ATOM 178 O GLY A 26 45.999 20.250 16.220 1.00 0.00 O ATOM 0 H GLY A 26 45.559 16.372 17.981 1.00 0.00 H new ATOM 0 HA2 GLY A 26 47.362 18.269 16.952 1.00 0.00 H new ATOM 0 HA3 GLY A 26 46.196 17.310 16.062 1.00 0.00 H new ATOM 182 N VAL A 27 44.163 19.181 16.947 1.00 0.00 N ATOM 183 CA VAL A 27 43.301 20.326 16.742 1.00 0.00 C ATOM 184 C VAL A 27 43.712 21.436 17.698 1.00 0.00 C ATOM 185 O VAL A 27 43.631 22.615 17.360 1.00 0.00 O ATOM 186 CB VAL A 27 41.850 19.918 16.979 1.00 0.00 C ATOM 0 H VAL A 27 43.691 18.355 17.315 1.00 0.00 H new ATOM 0 HA VAL A 27 43.396 20.690 15.719 1.00 0.00 H new ATOM 189 N ALA A 28 44.165 21.050 18.893 1.00 0.00 N ATOM 190 CA ALA A 28 44.585 22.001 19.901 1.00 0.00 C ATOM 191 C ALA A 28 45.933 22.610 19.537 1.00 0.00 C ATOM 192 O ALA A 28 46.149 23.801 19.750 1.00 0.00 O ATOM 193 CB ALA A 28 44.662 21.300 21.254 1.00 0.00 C ATOM 0 H ALA A 28 44.247 20.074 19.179 1.00 0.00 H new ATOM 0 HA ALA A 28 43.856 22.810 19.956 1.00 0.00 H new ATOM 0 HB1 ALA A 28 44.978 22.013 22.016 1.00 0.00 H new ATOM 0 HB2 ALA A 28 43.681 20.902 21.514 1.00 0.00 H new ATOM 0 HB3 ALA A 28 45.382 20.483 21.200 1.00 0.00 H new ATOM 196 N LYS A 29 46.840 21.793 18.992 1.00 0.00 N ATOM 197 CA LYS A 29 48.164 22.243 18.605 1.00 0.00 C ATOM 198 C LYS A 29 48.115 22.943 17.252 1.00 0.00 C ATOM 199 O LYS A 29 49.047 23.657 16.887 1.00 0.00 O ATOM 200 CB LYS A 29 49.105 21.043 18.550 1.00 0.00 C ATOM 0 H LYS A 29 46.669 20.804 18.810 1.00 0.00 H new ATOM 0 HA LYS A 29 48.532 22.957 19.342 1.00 0.00 H new ATOM 203 N ALA A 30 47.028 22.727 16.506 1.00 0.00 N ATOM 204 CA ALA A 30 46.865 23.297 15.184 1.00 0.00 C ATOM 205 C ALA A 30 46.686 24.808 15.257 1.00 0.00 C ATOM 206 O ALA A 30 47.330 25.475 16.064 1.00 0.00 O ATOM 207 CB ALA A 30 45.671 22.633 14.504 1.00 0.00 C ATOM 0 H ALA A 30 46.242 22.152 16.809 1.00 0.00 H new ATOM 0 HA ALA A 30 47.764 23.110 14.596 1.00 0.00 H new ATOM 0 HB1 ALA A 30 45.539 23.055 13.508 1.00 0.00 H new ATOM 0 HB2 ALA A 30 45.848 21.561 14.424 1.00 0.00 H new ATOM 0 HB3 ALA A 30 44.772 22.809 15.095 1.00 0.00 H new ATOM 210 N PHE A 31 45.803 25.347 14.412 1.00 0.00 N ATOM 211 CA PHE A 31 45.546 26.771 14.367 1.00 0.00 C ATOM 212 C PHE A 31 44.409 27.031 13.390 1.00 0.00 C ATOM 213 O PHE A 31 44.646 27.332 12.222 1.00 0.00 O ATOM 214 CB PHE A 31 46.813 27.503 13.933 1.00 0.00 C ATOM 0 H PHE A 31 45.253 24.803 13.747 1.00 0.00 H new ATOM 0 HA PHE A 31 45.259 27.138 15.353 1.00 0.00 H new ATOM 217 N ASP A 32 43.170 26.917 13.873 1.00 0.00 N ATOM 218 CA ASP A 32 42.005 27.130 13.039 1.00 0.00 C ATOM 219 C ASP A 32 40.748 27.168 13.896 1.00 0.00 C ATOM 220 O ASP A 32 40.450 28.195 14.503 1.00 0.00 O ATOM 221 CB ASP A 32 41.919 26.025 11.991 1.00 0.00 C ATOM 0 H ASP A 32 42.956 26.677 14.841 1.00 0.00 H new ATOM 0 HA ASP A 32 42.093 28.088 12.527 1.00 0.00 H new ATOM 224 N ALA A 33 40.019 26.048 13.942 1.00 0.00 N ATOM 225 CA ALA A 33 38.790 25.941 14.707 1.00 0.00 C ATOM 226 C ALA A 33 38.063 24.661 14.318 1.00 0.00 C ATOM 227 O ALA A 33 37.442 24.015 15.160 1.00 0.00 O ATOM 228 CB ALA A 33 37.894 27.146 14.427 1.00 0.00 C ATOM 0 H ALA A 33 40.272 25.193 13.446 1.00 0.00 H new ATOM 0 HA ALA A 33 39.029 25.917 15.770 1.00 0.00 H new ATOM 0 HB1 ALA A 33 36.974 27.058 15.005 1.00 0.00 H new ATOM 0 HB2 ALA A 33 38.415 28.060 14.711 1.00 0.00 H new ATOM 0 HB3 ALA A 33 37.653 27.181 13.365 1.00 0.00 H new ATOM 231 N GLU A 34 38.146 24.296 13.037 1.00 0.00 N ATOM 232 CA GLU A 34 37.483 23.116 12.518 1.00 0.00 C ATOM 233 C GLU A 34 37.863 21.861 13.293 1.00 0.00 C ATOM 234 O GLU A 34 36.986 21.149 13.777 1.00 0.00 O ATOM 235 CB GLU A 34 37.832 22.954 11.041 1.00 0.00 C ATOM 0 H GLU A 34 38.676 24.815 12.337 1.00 0.00 H new ATOM 0 HA GLU A 34 36.407 23.249 12.634 1.00 0.00 H new ATOM 238 N ALA A 35 39.164 21.580 13.407 1.00 0.00 N ATOM 239 CA ALA A 35 39.644 20.398 14.097 1.00 0.00 C ATOM 240 C ALA A 35 39.076 20.317 15.506 1.00 0.00 C ATOM 241 O ALA A 35 38.571 19.269 15.903 1.00 0.00 O ATOM 242 CB ALA A 35 41.169 20.422 14.133 1.00 0.00 C ATOM 0 H ALA A 35 39.904 22.167 13.023 1.00 0.00 H new ATOM 0 HA ALA A 35 39.308 19.513 13.557 1.00 0.00 H new ATOM 0 HB1 ALA A 35 41.535 19.535 14.651 1.00 0.00 H new ATOM 0 HB2 ALA A 35 41.557 20.433 13.114 1.00 0.00 H new ATOM 0 HB3 ALA A 35 41.507 21.315 14.660 1.00 0.00 H new ATOM 245 N ALA A 36 39.173 21.418 16.257 1.00 0.00 N ATOM 246 CA ALA A 36 38.679 21.480 17.620 1.00 0.00 C ATOM 247 C ALA A 36 37.246 20.970 17.699 1.00 0.00 C ATOM 248 O ALA A 36 36.956 20.073 18.486 1.00 0.00 O ATOM 249 CB ALA A 36 38.765 22.918 18.122 1.00 0.00 C ATOM 0 H ALA A 36 39.597 22.286 15.930 1.00 0.00 H new ATOM 0 HA ALA A 36 39.295 20.840 18.252 1.00 0.00 H new ATOM 0 HB1 ALA A 36 38.395 22.969 19.146 1.00 0.00 H new ATOM 0 HB2 ALA A 36 39.802 23.252 18.094 1.00 0.00 H new ATOM 0 HB3 ALA A 36 38.160 23.563 17.485 1.00 0.00 H new ATOM 252 N LYS A 37 36.358 21.546 16.885 1.00 0.00 N ATOM 253 CA LYS A 37 34.962 21.151 16.855 1.00 0.00 C ATOM 254 C LYS A 37 34.816 19.643 16.692 1.00 0.00 C ATOM 255 O LYS A 37 34.117 19.002 17.474 1.00 0.00 O ATOM 256 CB LYS A 37 34.257 21.883 15.717 1.00 0.00 C ATOM 0 H LYS A 37 36.592 22.295 16.234 1.00 0.00 H new ATOM 0 HA LYS A 37 34.501 21.422 17.805 1.00 0.00 H new ATOM 259 N VAL A 38 35.473 19.072 15.679 1.00 0.00 N ATOM 260 CA VAL A 38 35.400 17.647 15.418 1.00 0.00 C ATOM 261 C VAL A 38 35.938 16.851 16.600 1.00 0.00 C ATOM 262 O VAL A 38 35.398 15.798 16.948 1.00 0.00 O ATOM 263 CB VAL A 38 36.191 17.328 14.152 1.00 0.00 C ATOM 0 H VAL A 38 36.064 19.587 15.026 1.00 0.00 H new ATOM 0 HA VAL A 38 34.357 17.363 15.275 1.00 0.00 H new ATOM 266 N GLU A 39 36.990 17.357 17.248 1.00 0.00 N ATOM 267 CA GLU A 39 37.572 16.675 18.379 1.00 0.00 C ATOM 268 C GLU A 39 36.508 16.649 19.456 1.00 0.00 C ATOM 269 O GLU A 39 36.290 15.619 20.087 1.00 0.00 O ATOM 270 CB GLU A 39 38.816 17.424 18.846 1.00 0.00 C ATOM 0 H GLU A 39 37.447 18.235 17.001 1.00 0.00 H new ATOM 0 HA GLU A 39 37.883 15.661 18.128 1.00 0.00 H new ATOM 273 N ALA A 40 35.846 17.795 19.645 1.00 0.00 N ATOM 274 CA ALA A 40 34.769 17.942 20.600 1.00 0.00 C ATOM 275 C ALA A 40 33.759 16.822 20.407 1.00 0.00 C ATOM 276 O ALA A 40 33.347 16.192 21.377 1.00 0.00 O ATOM 277 CB ALA A 40 34.106 19.298 20.373 1.00 0.00 C ATOM 0 H ALA A 40 36.053 18.650 19.128 1.00 0.00 H new ATOM 0 HA ALA A 40 35.155 17.887 21.618 1.00 0.00 H new ATOM 0 HB1 ALA A 40 33.290 19.428 21.084 1.00 0.00 H new ATOM 0 HB2 ALA A 40 34.841 20.091 20.515 1.00 0.00 H new ATOM 0 HB3 ALA A 40 33.713 19.345 19.358 1.00 0.00 H new ATOM 280 N ALA A 41 33.366 16.587 19.151 1.00 0.00 N ATOM 281 CA ALA A 41 32.429 15.531 18.820 1.00 0.00 C ATOM 282 C ALA A 41 32.920 14.224 19.423 1.00 0.00 C ATOM 283 O ALA A 41 32.172 13.530 20.112 1.00 0.00 O ATOM 284 CB ALA A 41 32.304 15.417 17.303 1.00 0.00 C ATOM 0 H ALA A 41 33.691 17.124 18.347 1.00 0.00 H new ATOM 0 HA ALA A 41 31.445 15.759 19.229 1.00 0.00 H new ATOM 0 HB1 ALA A 41 31.600 14.623 17.055 1.00 0.00 H new ATOM 0 HB2 ALA A 41 31.944 16.362 16.896 1.00 0.00 H new ATOM 0 HB3 ALA A 41 33.279 15.185 16.874 1.00 0.00 H new ATOM 287 N LYS A 42 34.193 13.896 19.191 1.00 0.00 N ATOM 288 CA LYS A 42 34.765 12.684 19.744 1.00 0.00 C ATOM 289 C LYS A 42 34.743 12.777 21.267 1.00 0.00 C ATOM 290 O LYS A 42 34.522 11.777 21.949 1.00 0.00 O ATOM 291 CB LYS A 42 36.184 12.504 19.217 1.00 0.00 C ATOM 0 H LYS A 42 34.836 14.453 18.628 1.00 0.00 H new ATOM 0 HA LYS A 42 34.182 11.814 19.441 1.00 0.00 H new ATOM 294 N LEU A 43 34.963 13.989 21.791 1.00 0.00 N ATOM 295 CA LEU A 43 34.941 14.233 23.220 1.00 0.00 C ATOM 296 C LEU A 43 33.606 13.739 23.741 1.00 0.00 C ATOM 297 O LEU A 43 33.577 12.880 24.605 1.00 0.00 O ATOM 298 CB LEU A 43 35.121 15.723 23.494 1.00 0.00 C ATOM 0 H LEU A 43 35.160 14.818 21.231 1.00 0.00 H new ATOM 0 HA LEU A 43 35.754 13.709 23.723 1.00 0.00 H new ATOM 301 N GLU A 44 32.522 14.330 23.226 1.00 0.00 N ATOM 302 CA GLU A 44 31.165 13.932 23.538 1.00 0.00 C ATOM 303 C GLU A 44 31.086 12.418 23.608 1.00 0.00 C ATOM 304 O GLU A 44 30.492 11.888 24.536 1.00 0.00 O ATOM 305 CB GLU A 44 30.218 14.475 22.472 1.00 0.00 C ATOM 0 H GLU A 44 32.575 15.110 22.571 1.00 0.00 H new ATOM 0 HA GLU A 44 30.871 14.341 24.505 1.00 0.00 H new ATOM 308 N LYS A 45 31.711 11.723 22.654 1.00 0.00 N ATOM 309 CA LYS A 45 31.746 10.271 22.670 1.00 0.00 C ATOM 310 C LYS A 45 32.304 9.775 24.003 1.00 0.00 C ATOM 311 O LYS A 45 31.788 8.843 24.581 1.00 0.00 O ATOM 312 CB LYS A 45 32.602 9.773 21.509 1.00 0.00 C ATOM 0 H LYS A 45 32.197 12.148 21.865 1.00 0.00 H new ATOM 0 HA LYS A 45 30.735 9.880 22.557 1.00 0.00 H new ATOM 315 N ILE A 46 33.377 10.392 24.479 1.00 0.00 N ATOM 316 CA ILE A 46 33.989 10.041 25.750 1.00 0.00 C ATOM 317 C ILE A 46 32.920 10.123 26.833 1.00 0.00 C ATOM 318 O ILE A 46 32.901 9.315 27.759 1.00 0.00 O ATOM 319 CB ILE A 46 35.172 10.958 26.053 1.00 0.00 C ATOM 0 H ILE A 46 33.848 11.153 23.991 1.00 0.00 H new ATOM 0 HA ILE A 46 34.383 9.026 25.711 1.00 0.00 H new ATOM 322 N LEU A 47 32.033 11.109 26.682 1.00 0.00 N ATOM 323 CA LEU A 47 30.860 11.211 27.539 1.00 0.00 C ATOM 324 C LEU A 47 30.014 10.133 26.884 1.00 0.00 C ATOM 325 O LEU A 47 29.152 10.419 26.057 1.00 0.00 O ATOM 326 CB LEU A 47 30.226 12.593 27.415 1.00 0.00 C ATOM 0 H LEU A 47 32.108 11.842 25.977 1.00 0.00 H new ATOM 0 HA LEU A 47 31.023 11.088 28.610 1.00 0.00 H new ATOM 329 N ALA A 48 30.266 8.872 27.236 1.00 0.00 N ATOM 330 CA ALA A 48 29.758 7.744 26.500 1.00 0.00 C ATOM 331 C ALA A 48 28.330 7.365 26.815 1.00 0.00 C ATOM 332 O ALA A 48 27.665 7.964 27.657 1.00 0.00 O ATOM 333 CB ALA A 48 30.682 6.550 26.719 1.00 0.00 C ATOM 0 H ALA A 48 30.832 8.617 28.045 1.00 0.00 H new ATOM 0 HA ALA A 48 29.742 8.047 25.453 1.00 0.00 H new ATOM 0 HB1 ALA A 48 30.304 5.691 26.165 1.00 0.00 H new ATOM 0 HB2 ALA A 48 31.684 6.796 26.368 1.00 0.00 H new ATOM 0 HB3 ALA A 48 30.719 6.309 27.781 1.00 0.00 H new ATOM 336 N THR A 49 27.894 6.338 26.092 1.00 0.00 N ATOM 337 CA THR A 49 26.586 5.762 26.251 1.00 0.00 C ATOM 338 C THR A 49 26.556 4.792 27.427 1.00 0.00 C ATOM 339 O THR A 49 25.593 4.038 27.542 1.00 0.00 O ATOM 340 CB THR A 49 26.187 5.052 24.960 1.00 0.00 C ATOM 0 H THR A 49 28.456 5.884 25.372 1.00 0.00 H new ATOM 0 HA THR A 49 25.872 6.558 26.461 1.00 0.00 H new ATOM 343 N ASP A 50 27.578 4.749 28.298 1.00 0.00 N ATOM 344 CA ASP A 50 27.621 3.814 29.406 1.00 0.00 C ATOM 345 C ASP A 50 28.886 4.063 30.241 1.00 0.00 C ATOM 346 O ASP A 50 28.848 3.956 31.465 1.00 0.00 O ATOM 347 CB ASP A 50 27.603 2.387 28.866 1.00 0.00 C ATOM 0 H ASP A 50 28.390 5.365 28.244 1.00 0.00 H new ATOM 0 HA ASP A 50 26.750 3.957 30.045 1.00 0.00 H new ATOM 350 N VAL A 51 30.002 4.405 29.580 1.00 0.00 N ATOM 351 CA VAL A 51 31.267 4.684 30.233 1.00 0.00 C ATOM 352 C VAL A 51 31.664 3.615 31.251 1.00 0.00 C ATOM 353 O VAL A 51 31.888 2.464 30.885 1.00 0.00 O ATOM 354 CB VAL A 51 31.215 6.080 30.849 1.00 0.00 C ATOM 0 H VAL A 51 30.040 4.494 28.565 1.00 0.00 H new ATOM 0 HA VAL A 51 32.054 4.656 29.479 1.00 0.00 H new ATOM 357 N ALA A 52 31.773 4.005 32.525 1.00 0.00 N ATOM 358 CA ALA A 52 32.195 3.086 33.564 1.00 0.00 C ATOM 359 C ALA A 52 33.638 2.699 33.271 1.00 0.00 C ATOM 360 O ALA A 52 34.513 2.852 34.121 1.00 0.00 O ATOM 361 CB ALA A 52 31.286 1.861 33.569 1.00 0.00 C ATOM 0 H ALA A 52 31.573 4.950 32.852 1.00 0.00 H new ATOM 0 HA ALA A 52 32.129 3.547 34.550 1.00 0.00 H new ATOM 0 HB1 ALA A 52 31.607 1.173 34.351 1.00 0.00 H new ATOM 0 HB2 ALA A 52 30.258 2.171 33.758 1.00 0.00 H new ATOM 0 HB3 ALA A 52 31.343 1.362 32.602 1.00 0.00 H new ATOM 364 N PRO A 53 33.879 2.209 32.052 1.00 0.00 N ATOM 365 CA PRO A 53 35.208 1.838 31.606 1.00 0.00 C ATOM 366 C PRO A 53 35.643 0.480 32.140 1.00 0.00 C ATOM 367 O PRO A 53 36.696 0.402 32.769 1.00 0.00 O ATOM 368 CB PRO A 53 35.241 1.843 30.081 1.00 0.00 C ATOM 0 HA PRO A 53 35.913 2.570 32.001 1.00 0.00 H new ATOM 370 N LEU A 54 34.843 -0.559 31.853 1.00 0.00 N ATOM 371 CA LEU A 54 35.075 -1.951 32.227 1.00 0.00 C ATOM 372 C LEU A 54 33.738 -2.560 32.629 1.00 0.00 C ATOM 373 O LEU A 54 32.741 -1.845 32.706 1.00 0.00 O ATOM 374 CB LEU A 54 36.075 -2.116 33.370 1.00 0.00 C ATOM 0 H LEU A 54 33.977 -0.439 31.328 1.00 0.00 H new ATOM 0 HA LEU A 54 35.510 -2.459 31.366 1.00 0.00 H new ATOM 377 N PHE A 55 33.716 -3.871 32.896 1.00 0.00 N ATOM 378 CA PHE A 55 32.497 -4.554 33.292 1.00 0.00 C ATOM 379 C PHE A 55 32.717 -6.061 33.346 1.00 0.00 C ATOM 380 O PHE A 55 32.009 -6.812 32.678 1.00 0.00 O ATOM 381 CB PHE A 55 31.377 -4.229 32.305 1.00 0.00 C ATOM 0 H PHE A 55 34.536 -4.475 32.842 1.00 0.00 H new ATOM 0 HA PHE A 55 32.215 -4.209 34.287 1.00 0.00 H new ATOM 384 N PRO A 56 33.692 -6.502 34.146 1.00 0.00 N ATOM 385 CA PRO A 56 33.998 -7.914 34.288 1.00 0.00 C ATOM 386 C PRO A 56 35.259 -8.078 35.120 1.00 0.00 C ATOM 387 O PRO A 56 36.338 -8.299 34.575 1.00 0.00 O ATOM 388 CB PRO A 56 34.183 -8.543 32.909 1.00 0.00 C ATOM 0 HA PRO A 56 33.174 -8.418 34.793 1.00 0.00 H new ATOM 390 N ALA A 57 35.119 -7.971 36.444 1.00 0.00 N ATOM 391 CA ALA A 57 36.248 -8.083 37.345 1.00 0.00 C ATOM 392 C ALA A 57 37.155 -6.867 37.181 1.00 0.00 C ATOM 393 O ALA A 57 38.243 -6.823 37.751 1.00 0.00 O ATOM 394 CB ALA A 57 37.008 -9.377 37.064 1.00 0.00 C ATOM 0 H ALA A 57 34.226 -7.806 36.909 1.00 0.00 H new ATOM 0 HA ALA A 57 35.895 -8.113 38.376 1.00 0.00 H new ATOM 0 HB1 ALA A 57 37.856 -9.456 37.744 1.00 0.00 H new ATOM 0 HB2 ALA A 57 36.344 -10.228 37.212 1.00 0.00 H new ATOM 0 HB3 ALA A 57 37.368 -9.372 36.035 1.00 0.00 H new ATOM 397 N GLY A 58 36.708 -5.881 36.396 1.00 0.00 N ATOM 398 CA GLY A 58 37.478 -4.677 36.162 1.00 0.00 C ATOM 399 C GLY A 58 38.616 -4.964 35.192 1.00 0.00 C ATOM 400 O GLY A 58 39.784 -4.799 35.539 1.00 0.00 O ATOM 0 H GLY A 58 35.810 -5.904 35.914 1.00 0.00 H new ATOM 0 HA2 GLY A 58 36.833 -3.897 35.758 1.00 0.00 H new ATOM 0 HA3 GLY A 58 37.879 -4.303 37.104 1.00 0.00 H new ATOM 404 N THR A 59 38.274 -5.394 33.975 1.00 0.00 N ATOM 405 CA THR A 59 39.265 -5.697 32.962 1.00 0.00 C ATOM 406 C THR A 59 40.052 -6.941 33.352 1.00 0.00 C ATOM 407 O THR A 59 39.766 -7.563 34.373 1.00 0.00 O ATOM 408 CB THR A 59 40.195 -4.500 32.785 1.00 0.00 C ATOM 0 H THR A 59 37.310 -5.538 33.674 1.00 0.00 H new ATOM 0 HA THR A 59 38.765 -5.896 32.014 1.00 0.00 H new ATOM 411 N SER A 60 41.046 -7.293 32.532 1.00 0.00 N ATOM 412 CA SER A 60 41.871 -8.462 32.772 1.00 0.00 C ATOM 413 C SER A 60 42.936 -8.207 33.831 1.00 0.00 C ATOM 414 O SER A 60 44.123 -8.158 33.515 1.00 0.00 O ATOM 415 CB SER A 60 42.514 -8.906 31.461 1.00 0.00 C ATOM 0 H SER A 60 41.294 -6.774 31.690 1.00 0.00 H new ATOM 0 HA SER A 60 41.229 -9.255 33.155 1.00 0.00 H new ATOM 418 N SER A 61 42.506 -8.063 35.088 1.00 0.00 N ATOM 419 CA SER A 61 43.408 -7.865 36.206 1.00 0.00 C ATOM 420 C SER A 61 42.730 -8.355 37.479 1.00 0.00 C ATOM 421 O SER A 61 41.533 -8.146 37.662 1.00 0.00 O ATOM 422 CB SER A 61 43.780 -6.388 36.314 1.00 0.00 C ATOM 0 H SER A 61 41.520 -8.082 35.350 1.00 0.00 H new ATOM 0 HA SER A 61 44.326 -8.433 36.055 1.00 0.00 H new ATOM 425 N THR A 62 43.493 -9.023 38.349 1.00 0.00 N ATOM 426 CA THR A 62 42.957 -9.544 39.592 1.00 0.00 C ATOM 427 C THR A 62 44.019 -10.353 40.324 1.00 0.00 C ATOM 428 O THR A 62 43.763 -11.482 40.737 1.00 0.00 O ATOM 429 CB THR A 62 41.735 -10.409 39.297 1.00 0.00 C ATOM 0 H THR A 62 44.485 -9.212 38.207 1.00 0.00 H new ATOM 0 HA THR A 62 42.658 -8.714 40.232 1.00 0.00 H new ATOM 432 N ASP A 63 45.212 -9.775 40.479 1.00 0.00 N ATOM 433 CA ASP A 63 46.302 -10.441 41.166 1.00 0.00 C ATOM 434 C ASP A 63 46.799 -11.612 40.331 1.00 0.00 C ATOM 435 O ASP A 63 46.402 -12.752 40.562 1.00 0.00 O ATOM 436 CB ASP A 63 45.828 -10.914 42.537 1.00 0.00 C ATOM 0 H ASP A 63 45.441 -8.843 40.134 1.00 0.00 H new ATOM 0 HA ASP A 63 47.128 -9.744 41.305 1.00 0.00 H new ATOM 439 N LEU A 64 47.674 -11.322 39.364 1.00 0.00 N ATOM 440 CA LEU A 64 48.235 -12.335 38.491 1.00 0.00 C ATOM 441 C LEU A 64 47.184 -12.809 37.497 1.00 0.00 C ATOM 442 O LEU A 64 45.999 -12.860 37.821 1.00 0.00 O ATOM 443 CB LEU A 64 48.778 -13.498 39.317 1.00 0.00 C ATOM 0 H LEU A 64 48.008 -10.378 39.171 1.00 0.00 H new ATOM 0 HA LEU A 64 49.063 -11.905 37.928 1.00 0.00 H new ATOM 446 N PRO A 65 47.628 -13.143 36.283 1.00 0.00 N ATOM 447 CA PRO A 65 46.750 -13.604 35.225 1.00 0.00 C ATOM 448 C PRO A 65 47.418 -13.337 33.884 1.00 0.00 C ATOM 449 O PRO A 65 48.524 -12.802 33.853 1.00 0.00 O ATOM 450 CB PRO A 65 46.466 -15.092 35.407 1.00 0.00 C ATOM 0 HA PRO A 65 45.800 -13.071 35.261 1.00 0.00 H new ATOM 452 N GLY A 66 46.745 -13.718 32.791 1.00 0.00 N ATOM 453 CA GLY A 66 47.247 -13.528 31.440 1.00 0.00 C ATOM 454 C GLY A 66 46.098 -13.145 30.517 1.00 0.00 C ATOM 455 O GLY A 66 45.590 -13.983 29.775 1.00 0.00 O ATOM 0 H GLY A 66 45.831 -14.169 32.828 1.00 0.00 H new ATOM 0 HA2 GLY A 66 48.009 -12.749 31.431 1.00 0.00 H new ATOM 0 HA3 GLY A 66 47.722 -14.443 31.086 1.00 0.00 H new ATOM 459 N GLN A 67 45.700 -11.871 30.571 1.00 0.00 N ATOM 460 CA GLN A 67 44.623 -11.350 29.750 1.00 0.00 C ATOM 461 C GLN A 67 44.821 -9.850 29.574 1.00 0.00 C ATOM 462 O GLN A 67 45.610 -9.254 30.304 1.00 0.00 O ATOM 463 CB GLN A 67 43.282 -11.649 30.414 1.00 0.00 C ATOM 0 H GLN A 67 46.121 -11.177 31.189 1.00 0.00 H new ATOM 0 HA GLN A 67 44.630 -11.826 28.769 1.00 0.00 H new ATOM 466 N THR A 68 44.089 -9.264 28.618 1.00 0.00 N ATOM 467 CA THR A 68 44.157 -7.845 28.298 1.00 0.00 C ATOM 468 C THR A 68 45.586 -7.323 28.334 1.00 0.00 C ATOM 469 O THR A 68 46.204 -7.103 27.294 1.00 0.00 O ATOM 470 CB THR A 68 43.278 -7.063 29.270 1.00 0.00 C ATOM 0 H THR A 68 43.424 -9.777 28.039 1.00 0.00 H new ATOM 0 HA THR A 68 43.791 -7.707 27.280 1.00 0.00 H new ATOM 473 N GLU A 69 46.099 -7.123 29.550 1.00 0.00 N ATOM 474 CA GLU A 69 47.445 -6.632 29.761 1.00 0.00 C ATOM 475 C GLU A 69 47.629 -6.352 31.246 1.00 0.00 C ATOM 476 O GLU A 69 46.693 -6.513 32.027 1.00 0.00 O ATOM 477 CB GLU A 69 47.664 -5.366 28.938 1.00 0.00 C ATOM 0 H GLU A 69 45.584 -7.300 30.412 1.00 0.00 H new ATOM 0 HA GLU A 69 48.177 -7.374 29.442 1.00 0.00 H new ATOM 480 N ALA A 70 48.834 -5.935 31.640 1.00 0.00 N ATOM 481 CA ALA A 70 49.114 -5.635 33.029 1.00 0.00 C ATOM 482 C ALA A 70 48.444 -4.318 33.393 1.00 0.00 C ATOM 483 O ALA A 70 47.557 -4.282 34.243 1.00 0.00 O ATOM 484 CB ALA A 70 50.623 -5.554 33.241 1.00 0.00 C ATOM 0 H ALA A 70 49.625 -5.800 31.011 1.00 0.00 H new ATOM 0 HA ALA A 70 48.721 -6.422 33.672 1.00 0.00 H new ATOM 0 HB1 ALA A 70 50.832 -5.328 34.287 1.00 0.00 H new ATOM 0 HB2 ALA A 70 51.079 -6.508 32.978 1.00 0.00 H new ATOM 0 HB3 ALA A 70 51.037 -4.768 32.610 1.00 0.00 H new ATOM 487 N LYS A 71 48.872 -3.240 32.734 1.00 0.00 N ATOM 488 CA LYS A 71 48.322 -1.919 32.959 1.00 0.00 C ATOM 489 C LYS A 71 48.330 -1.560 34.437 1.00 0.00 C ATOM 490 O LYS A 71 47.532 -0.733 34.875 1.00 0.00 O ATOM 491 CB LYS A 71 46.909 -1.847 32.387 1.00 0.00 C ATOM 0 H LYS A 71 49.610 -3.267 32.031 1.00 0.00 H new ATOM 0 HA LYS A 71 48.949 -1.190 32.447 1.00 0.00 H new ATOM 494 N ALA A 72 49.225 -2.188 35.204 1.00 0.00 N ATOM 495 CA ALA A 72 49.392 -1.909 36.618 1.00 0.00 C ATOM 496 C ALA A 72 48.358 -2.558 37.526 1.00 0.00 C ATOM 497 O ALA A 72 47.951 -1.948 38.513 1.00 0.00 O ATOM 498 CB ALA A 72 49.459 -0.402 36.853 1.00 0.00 C ATOM 0 H ALA A 72 49.855 -2.908 34.851 1.00 0.00 H new ATOM 0 HA ALA A 72 50.337 -2.373 36.900 1.00 0.00 H new ATOM 0 HB1 ALA A 72 49.584 -0.205 37.918 1.00 0.00 H new ATOM 0 HB2 ALA A 72 50.304 0.014 36.305 1.00 0.00 H new ATOM 0 HB3 ALA A 72 48.536 0.062 36.504 1.00 0.00 H new ATOM 501 N ALA A 73 47.950 -3.792 37.219 1.00 0.00 N ATOM 502 CA ALA A 73 47.013 -4.528 38.047 1.00 0.00 C ATOM 503 C ALA A 73 45.765 -3.715 38.356 1.00 0.00 C ATOM 504 O ALA A 73 45.554 -3.326 39.503 1.00 0.00 O ATOM 505 CB ALA A 73 47.708 -4.952 39.338 1.00 0.00 C ATOM 0 H ALA A 73 48.263 -4.300 36.392 1.00 0.00 H new ATOM 0 HA ALA A 73 46.689 -5.410 37.495 1.00 0.00 H new ATOM 0 HB1 ALA A 73 47.008 -5.505 39.963 1.00 0.00 H new ATOM 0 HB2 ALA A 73 48.562 -5.587 39.100 1.00 0.00 H new ATOM 0 HB3 ALA A 73 48.052 -4.067 39.874 1.00 0.00 H new ATOM 508 N ILE A 74 44.959 -3.462 37.321 1.00 0.00 N ATOM 509 CA ILE A 74 43.721 -2.723 37.487 1.00 0.00 C ATOM 510 C ILE A 74 42.912 -3.334 38.625 1.00 0.00 C ATOM 511 O ILE A 74 42.892 -2.787 39.726 1.00 0.00 O ATOM 512 CB ILE A 74 42.932 -2.733 36.180 1.00 0.00 C ATOM 0 H ILE A 74 45.148 -3.761 36.364 1.00 0.00 H new ATOM 0 HA ILE A 74 43.941 -1.686 37.740 1.00 0.00 H new ATOM 515 N TRP A 75 42.267 -4.474 38.358 1.00 0.00 N ATOM 516 CA TRP A 75 41.485 -5.180 39.354 1.00 0.00 C ATOM 517 C TRP A 75 40.528 -4.250 40.090 1.00 0.00 C ATOM 518 O TRP A 75 40.041 -3.275 39.522 1.00 0.00 O ATOM 519 CB TRP A 75 42.430 -5.866 40.337 1.00 0.00 C ATOM 0 H TRP A 75 42.278 -4.926 37.443 1.00 0.00 H new ATOM 0 HA TRP A 75 40.874 -5.927 38.847 1.00 0.00 H new ATOM 522 N ALA A 76 40.272 -4.557 41.364 1.00 0.00 N ATOM 523 CA ALA A 76 39.367 -3.779 42.186 1.00 0.00 C ATOM 524 C ALA A 76 39.977 -2.454 42.627 1.00 0.00 C ATOM 525 O ALA A 76 39.882 -2.107 43.802 1.00 0.00 O ATOM 526 CB ALA A 76 38.963 -4.607 43.403 1.00 0.00 C ATOM 0 H ALA A 76 40.690 -5.353 41.846 1.00 0.00 H new ATOM 0 HA ALA A 76 38.490 -3.537 41.586 1.00 0.00 H new ATOM 0 HB1 ALA A 76 38.282 -4.028 44.027 1.00 0.00 H new ATOM 0 HB2 ALA A 76 38.467 -5.520 43.074 1.00 0.00 H new ATOM 0 HB3 ALA A 76 39.852 -4.865 43.979 1.00 0.00 H new ATOM 529 N ASN A 77 40.586 -1.716 41.690 1.00 0.00 N ATOM 530 CA ASN A 77 41.163 -0.407 41.960 1.00 0.00 C ATOM 531 C ASN A 77 40.066 0.601 41.654 1.00 0.00 C ATOM 532 O ASN A 77 40.299 1.613 40.996 1.00 0.00 O ATOM 533 CB ASN A 77 42.372 -0.187 41.056 1.00 0.00 C ATOM 0 H ASN A 77 40.689 -2.018 40.721 1.00 0.00 H new ATOM 0 HA ASN A 77 41.505 -0.310 42.990 1.00 0.00 H new ATOM 536 N MET A 78 38.864 0.272 42.130 1.00 0.00 N ATOM 537 CA MET A 78 37.658 1.043 41.897 1.00 0.00 C ATOM 538 C MET A 78 37.820 2.552 41.948 1.00 0.00 C ATOM 539 O MET A 78 37.377 3.195 41.042 1.00 0.00 O ATOM 540 CB MET A 78 36.589 0.598 42.890 1.00 0.00 C ATOM 0 H MET A 78 38.706 -0.559 42.701 1.00 0.00 H new ATOM 0 HA MET A 78 37.369 0.835 40.867 1.00 0.00 H new ATOM 543 N ASP A 79 38.427 3.121 42.988 1.00 0.00 N ATOM 544 CA ASP A 79 38.553 4.563 43.125 1.00 0.00 C ATOM 545 C ASP A 79 39.691 5.129 42.288 1.00 0.00 C ATOM 546 O ASP A 79 39.524 6.158 41.638 1.00 0.00 O ATOM 547 CB ASP A 79 38.766 4.902 44.597 1.00 0.00 C ATOM 0 H ASP A 79 38.843 2.593 43.755 1.00 0.00 H new ATOM 0 HA ASP A 79 37.634 5.019 42.757 1.00 0.00 H new ATOM 550 N ASP A 80 40.850 4.469 42.303 1.00 0.00 N ATOM 551 CA ASP A 80 41.994 4.945 41.552 1.00 0.00 C ATOM 552 C ASP A 80 41.659 4.882 40.071 1.00 0.00 C ATOM 553 O ASP A 80 41.571 5.910 39.396 1.00 0.00 O ATOM 554 CB ASP A 80 43.215 4.088 41.876 1.00 0.00 C ATOM 0 H ASP A 80 41.013 3.609 42.826 1.00 0.00 H new ATOM 0 HA ASP A 80 42.226 5.975 41.822 1.00 0.00 H new ATOM 557 N PHE A 81 41.462 3.662 39.569 1.00 0.00 N ATOM 558 CA PHE A 81 41.113 3.469 38.184 1.00 0.00 C ATOM 559 C PHE A 81 39.821 4.225 37.927 1.00 0.00 C ATOM 560 O PHE A 81 39.716 4.943 36.933 1.00 0.00 O ATOM 561 CB PHE A 81 40.954 1.980 37.890 1.00 0.00 C ATOM 0 H PHE A 81 41.541 2.801 40.110 1.00 0.00 H new ATOM 0 HA PHE A 81 41.896 3.847 37.526 1.00 0.00 H new ATOM 564 N GLY A 82 38.847 4.061 38.830 1.00 0.00 N ATOM 565 CA GLY A 82 37.577 4.754 38.735 1.00 0.00 C ATOM 566 C GLY A 82 37.824 6.234 38.531 1.00 0.00 C ATOM 567 O GLY A 82 37.156 6.862 37.711 1.00 0.00 O ATOM 0 H GLY A 82 38.926 3.445 39.639 1.00 0.00 H new ATOM 0 HA2 GLY A 82 36.993 4.354 37.906 1.00 0.00 H new ATOM 0 HA3 GLY A 82 36.994 4.593 39.642 1.00 0.00 H new ATOM 571 N ALA A 83 38.795 6.793 39.261 1.00 0.00 N ATOM 572 CA ALA A 83 39.157 8.187 39.130 1.00 0.00 C ATOM 573 C ALA A 83 39.463 8.493 37.673 1.00 0.00 C ATOM 574 O ALA A 83 38.746 9.290 37.078 1.00 0.00 O ATOM 575 CB ALA A 83 40.368 8.483 40.010 1.00 0.00 C ATOM 0 H ALA A 83 39.344 6.284 39.954 1.00 0.00 H new ATOM 0 HA ALA A 83 38.330 8.819 39.454 1.00 0.00 H new ATOM 0 HB1 ALA A 83 40.641 9.534 39.912 1.00 0.00 H new ATOM 0 HB2 ALA A 83 40.123 8.268 41.050 1.00 0.00 H new ATOM 0 HB3 ALA A 83 41.206 7.859 39.698 1.00 0.00 H new ATOM 578 N LYS A 84 40.523 7.867 37.138 1.00 0.00 N ATOM 579 CA LYS A 84 40.938 8.060 35.750 1.00 0.00 C ATOM 580 C LYS A 84 39.723 8.146 34.831 1.00 0.00 C ATOM 581 O LYS A 84 39.695 8.929 33.884 1.00 0.00 O ATOM 582 CB LYS A 84 41.846 6.907 35.331 1.00 0.00 C ATOM 0 H LYS A 84 41.111 7.216 37.658 1.00 0.00 H new ATOM 0 HA LYS A 84 41.486 8.999 35.668 1.00 0.00 H new ATOM 585 N GLY A 85 38.709 7.353 35.167 1.00 0.00 N ATOM 586 CA GLY A 85 37.465 7.353 34.427 1.00 0.00 C ATOM 587 C GLY A 85 36.923 8.771 34.491 1.00 0.00 C ATOM 588 O GLY A 85 36.960 9.494 33.497 1.00 0.00 O ATOM 0 H GLY A 85 38.732 6.702 35.952 1.00 0.00 H new ATOM 0 HA2 GLY A 85 37.629 7.047 33.394 1.00 0.00 H new ATOM 0 HA3 GLY A 85 36.756 6.647 34.860 1.00 0.00 H new ATOM 592 N LYS A 86 36.423 9.135 35.675 1.00 0.00 N ATOM 593 CA LYS A 86 35.903 10.465 35.938 1.00 0.00 C ATOM 594 C LYS A 86 36.789 11.561 35.346 1.00 0.00 C ATOM 595 O LYS A 86 36.296 12.399 34.601 1.00 0.00 O ATOM 596 CB LYS A 86 35.754 10.654 37.445 1.00 0.00 C ATOM 0 H LYS A 86 36.371 8.507 36.477 1.00 0.00 H new ATOM 0 HA LYS A 86 34.931 10.552 35.453 1.00 0.00 H new ATOM 599 N ALA A 87 38.086 11.563 35.676 1.00 0.00 N ATOM 600 CA ALA A 87 39.019 12.568 35.191 1.00 0.00 C ATOM 601 C ALA A 87 38.968 12.711 33.674 1.00 0.00 C ATOM 602 O ALA A 87 38.788 13.815 33.159 1.00 0.00 O ATOM 603 CB ALA A 87 40.429 12.199 35.643 1.00 0.00 C ATOM 0 H ALA A 87 38.511 10.865 36.287 1.00 0.00 H new ATOM 0 HA ALA A 87 38.733 13.532 35.611 1.00 0.00 H new ATOM 0 HB1 ALA A 87 41.134 12.948 35.283 1.00 0.00 H new ATOM 0 HB2 ALA A 87 40.464 12.161 36.732 1.00 0.00 H new ATOM 0 HB3 ALA A 87 40.697 11.223 35.238 1.00 0.00 H new ATOM 606 N MET A 88 39.143 11.591 32.968 1.00 0.00 N ATOM 607 CA MET A 88 39.109 11.603 31.517 1.00 0.00 C ATOM 608 C MET A 88 37.760 12.179 31.112 1.00 0.00 C ATOM 609 O MET A 88 37.657 12.966 30.173 1.00 0.00 O ATOM 610 CB MET A 88 39.284 10.184 30.987 1.00 0.00 C ATOM 0 H MET A 88 39.308 10.673 33.381 1.00 0.00 H new ATOM 0 HA MET A 88 39.915 12.207 31.101 1.00 0.00 H new ATOM 613 N HIS A 89 36.735 11.784 31.865 1.00 0.00 N ATOM 614 CA HIS A 89 35.389 12.273 31.638 1.00 0.00 C ATOM 615 C HIS A 89 35.364 13.796 31.753 1.00 0.00 C ATOM 616 O HIS A 89 34.720 14.469 30.953 1.00 0.00 O ATOM 617 CB HIS A 89 34.439 11.637 32.649 1.00 0.00 C ATOM 0 H HIS A 89 36.818 11.124 32.638 1.00 0.00 H new ATOM 0 HA HIS A 89 35.064 12.000 30.634 1.00 0.00 H new ATOM 620 N GLU A 90 36.072 14.335 32.751 1.00 0.00 N ATOM 621 CA GLU A 90 36.118 15.768 32.985 1.00 0.00 C ATOM 622 C GLU A 90 36.599 16.518 31.748 1.00 0.00 C ATOM 623 O GLU A 90 35.903 17.397 31.244 1.00 0.00 O ATOM 624 CB GLU A 90 37.028 16.055 34.176 1.00 0.00 C ATOM 0 H GLU A 90 36.624 13.787 33.412 1.00 0.00 H new ATOM 0 HA GLU A 90 35.110 16.119 33.205 1.00 0.00 H new ATOM 627 N ALA A 91 37.793 16.171 31.266 1.00 0.00 N ATOM 628 CA ALA A 91 38.349 16.819 30.086 1.00 0.00 C ATOM 629 C ALA A 91 37.494 16.483 28.862 1.00 0.00 C ATOM 630 O ALA A 91 37.378 17.278 27.929 1.00 0.00 O ATOM 631 CB ALA A 91 39.790 16.362 29.891 1.00 0.00 C ATOM 0 H ALA A 91 38.387 15.449 31.674 1.00 0.00 H new ATOM 0 HA ALA A 91 38.343 17.901 30.218 1.00 0.00 H new ATOM 0 HB1 ALA A 91 40.209 16.845 29.008 1.00 0.00 H new ATOM 0 HB2 ALA A 91 40.379 16.633 30.767 1.00 0.00 H new ATOM 0 HB3 ALA A 91 39.814 15.280 29.758 1.00 0.00 H new ATOM 634 N GLY A 92 36.903 15.291 28.898 1.00 0.00 N ATOM 635 CA GLY A 92 36.046 14.822 27.824 1.00 0.00 C ATOM 636 C GLY A 92 34.871 15.779 27.623 1.00 0.00 C ATOM 637 O GLY A 92 34.738 16.412 26.574 1.00 0.00 O ATOM 0 H GLY A 92 37.007 14.631 29.669 1.00 0.00 H new ATOM 0 HA2 GLY A 92 36.620 14.742 26.901 1.00 0.00 H new ATOM 0 HA3 GLY A 92 35.675 13.824 28.056 1.00 0.00 H new ATOM 641 N GLY A 93 34.022 15.892 28.647 1.00 0.00 N ATOM 642 CA GLY A 93 32.846 16.732 28.597 1.00 0.00 C ATOM 643 C GLY A 93 33.219 18.201 28.473 1.00 0.00 C ATOM 644 O GLY A 93 32.577 18.935 27.725 1.00 0.00 O ATOM 0 H GLY A 93 34.140 15.398 29.532 1.00 0.00 H new ATOM 0 HA2 GLY A 93 32.224 16.440 27.751 1.00 0.00 H new ATOM 0 HA3 GLY A 93 32.250 16.581 29.497 1.00 0.00 H new ATOM 648 N ALA A 94 34.251 18.643 29.198 1.00 0.00 N ATOM 649 CA ALA A 94 34.677 20.026 29.163 1.00 0.00 C ATOM 650 C ALA A 94 35.288 20.360 27.811 1.00 0.00 C ATOM 651 O ALA A 94 35.255 21.515 27.391 1.00 0.00 O ATOM 652 CB ALA A 94 35.685 20.268 30.283 1.00 0.00 C ATOM 0 H ALA A 94 34.804 18.050 29.817 1.00 0.00 H new ATOM 0 HA ALA A 94 33.814 20.675 29.310 1.00 0.00 H new ATOM 0 HB1 ALA A 94 36.010 21.308 30.262 1.00 0.00 H new ATOM 0 HB2 ALA A 94 35.219 20.053 31.245 1.00 0.00 H new ATOM 0 HB3 ALA A 94 36.547 19.616 30.144 1.00 0.00 H new ATOM 655 N VAL A 95 35.843 19.357 27.122 1.00 0.00 N ATOM 656 CA VAL A 95 36.439 19.574 25.821 1.00 0.00 C ATOM 657 C VAL A 95 35.324 19.828 24.831 1.00 0.00 C ATOM 658 O VAL A 95 35.439 20.710 23.999 1.00 0.00 O ATOM 659 CB VAL A 95 37.257 18.355 25.402 1.00 0.00 C ATOM 0 H VAL A 95 35.887 18.393 27.452 1.00 0.00 H new ATOM 0 HA VAL A 95 37.112 20.431 25.854 1.00 0.00 H new ATOM 662 N ILE A 96 34.237 19.061 24.923 1.00 0.00 N ATOM 663 CA ILE A 96 33.105 19.245 24.041 1.00 0.00 C ATOM 664 C ILE A 96 32.481 20.614 24.278 1.00 0.00 C ATOM 665 O ILE A 96 32.033 21.265 23.337 1.00 0.00 O ATOM 666 CB ILE A 96 32.085 18.138 24.291 1.00 0.00 C ATOM 0 H ILE A 96 34.125 18.309 25.603 1.00 0.00 H new ATOM 0 HA ILE A 96 33.435 19.193 23.004 1.00 0.00 H new ATOM 669 N ALA A 97 32.461 21.053 25.539 1.00 0.00 N ATOM 670 CA ALA A 97 31.875 22.329 25.905 1.00 0.00 C ATOM 671 C ALA A 97 32.726 23.505 25.439 1.00 0.00 C ATOM 672 O ALA A 97 32.204 24.445 24.843 1.00 0.00 O ATOM 673 CB ALA A 97 31.687 22.376 27.418 1.00 0.00 C ATOM 0 H ALA A 97 32.850 20.532 26.325 1.00 0.00 H new ATOM 0 HA ALA A 97 30.910 22.418 25.406 1.00 0.00 H new ATOM 0 HB1 ALA A 97 31.247 23.332 27.700 1.00 0.00 H new ATOM 0 HB2 ALA A 97 31.026 21.567 27.728 1.00 0.00 H new ATOM 0 HB3 ALA A 97 32.654 22.263 27.908 1.00 0.00 H new ATOM 676 N ALA A 98 34.033 23.462 25.709 1.00 0.00 N ATOM 677 CA ALA A 98 34.928 24.540 25.333 1.00 0.00 C ATOM 678 C ALA A 98 35.192 24.500 23.833 1.00 0.00 C ATOM 679 O ALA A 98 35.398 25.537 23.206 1.00 0.00 O ATOM 680 CB ALA A 98 36.224 24.423 26.129 1.00 0.00 C ATOM 0 H ALA A 98 34.489 22.686 26.189 1.00 0.00 H new ATOM 0 HA ALA A 98 34.467 25.500 25.564 1.00 0.00 H new ATOM 0 HB1 ALA A 98 36.898 25.232 25.848 1.00 0.00 H new ATOM 0 HB2 ALA A 98 36.004 24.488 27.195 1.00 0.00 H new ATOM 0 HB3 ALA A 98 36.698 23.465 25.914 1.00 0.00 H new ATOM 683 N ALA A 99 35.191 23.297 23.258 1.00 0.00 N ATOM 684 CA ALA A 99 35.400 23.139 21.833 1.00 0.00 C ATOM 685 C ALA A 99 34.236 23.773 21.083 1.00 0.00 C ATOM 686 O ALA A 99 34.441 24.570 20.170 1.00 0.00 O ATOM 687 CB ALA A 99 35.516 21.660 21.484 1.00 0.00 C ATOM 0 H ALA A 99 35.047 22.423 23.764 1.00 0.00 H new ATOM 0 HA ALA A 99 36.326 23.634 21.541 1.00 0.00 H new ATOM 0 HB1 ALA A 99 35.673 21.551 20.411 1.00 0.00 H new ATOM 0 HB2 ALA A 99 36.359 21.225 22.020 1.00 0.00 H new ATOM 0 HB3 ALA A 99 34.599 21.145 21.771 1.00 0.00 H new ATOM 690 N ASN A 100 33.011 23.419 21.480 1.00 0.00 N ATOM 691 CA ASN A 100 31.815 23.942 20.847 1.00 0.00 C ATOM 692 C ASN A 100 31.568 25.390 21.253 1.00 0.00 C ATOM 693 O ASN A 100 31.551 26.278 20.402 1.00 0.00 O ATOM 694 CB ASN A 100 30.622 23.069 21.225 1.00 0.00 C ATOM 0 H ASN A 100 32.829 22.767 22.243 1.00 0.00 H new ATOM 0 HA ASN A 100 31.951 23.922 19.766 1.00 0.00 H new ATOM 697 N ALA A 101 31.369 25.629 22.551 1.00 0.00 N ATOM 698 CA ALA A 101 31.102 26.964 23.052 1.00 0.00 C ATOM 699 C ALA A 101 32.375 27.800 23.060 1.00 0.00 C ATOM 700 O ALA A 101 33.478 27.255 23.070 1.00 0.00 O ATOM 701 CB ALA A 101 30.509 26.871 24.455 1.00 0.00 C ATOM 0 H ALA A 101 31.389 24.907 23.271 1.00 0.00 H new ATOM 0 HA ALA A 101 30.385 27.455 22.394 1.00 0.00 H new ATOM 0 HB1 ALA A 101 30.308 27.874 24.832 1.00 0.00 H new ATOM 0 HB2 ALA A 101 29.579 26.303 24.420 1.00 0.00 H new ATOM 0 HB3 ALA A 101 31.216 26.369 25.116 1.00 0.00 H new ATOM 704 N GLY A 102 32.213 29.126 23.040 1.00 0.00 N ATOM 705 CA GLY A 102 33.337 30.046 23.050 1.00 0.00 C ATOM 706 C GLY A 102 34.318 29.717 24.170 1.00 0.00 C ATOM 707 O GLY A 102 34.191 30.231 25.279 1.00 0.00 O ATOM 0 H GLY A 102 31.301 29.583 23.017 1.00 0.00 H new ATOM 0 HA2 GLY A 102 33.852 30.004 22.090 1.00 0.00 H new ATOM 0 HA3 GLY A 102 32.973 31.066 23.172 1.00 0.00 H new ATOM 711 N ASP A 103 35.307 28.867 23.874 1.00 0.00 N ATOM 712 CA ASP A 103 36.312 28.480 24.847 1.00 0.00 C ATOM 713 C ASP A 103 37.241 27.433 24.243 1.00 0.00 C ATOM 714 O ASP A 103 37.704 26.528 24.936 1.00 0.00 O ATOM 715 CB ASP A 103 35.628 27.941 26.100 1.00 0.00 C ATOM 0 H ASP A 103 35.426 28.435 22.958 1.00 0.00 H new ATOM 0 HA ASP A 103 36.909 29.349 25.123 1.00 0.00 H new ATOM 718 N GLY A 104 37.510 27.558 22.942 1.00 0.00 N ATOM 719 CA GLY A 104 38.365 26.625 22.237 1.00 0.00 C ATOM 720 C GLY A 104 39.754 26.583 22.859 1.00 0.00 C ATOM 721 O GLY A 104 40.469 25.591 22.722 1.00 0.00 O ATOM 0 H GLY A 104 37.139 28.307 22.358 1.00 0.00 H new ATOM 0 HA2 GLY A 104 37.921 25.630 22.261 1.00 0.00 H new ATOM 0 HA3 GLY A 104 38.440 26.915 21.189 1.00 0.00 H new ATOM 725 N ALA A 105 40.132 27.649 23.569 1.00 0.00 N ATOM 726 CA ALA A 105 41.439 27.723 24.185 1.00 0.00 C ATOM 727 C ALA A 105 41.523 26.666 25.272 1.00 0.00 C ATOM 728 O ALA A 105 42.265 25.692 25.144 1.00 0.00 O ATOM 729 CB ALA A 105 41.654 29.119 24.763 1.00 0.00 C ATOM 0 H ALA A 105 39.544 28.468 23.726 1.00 0.00 H new ATOM 0 HA ALA A 105 42.219 27.538 23.447 1.00 0.00 H new ATOM 0 HB1 ALA A 105 42.639 29.173 25.227 1.00 0.00 H new ATOM 0 HB2 ALA A 105 41.588 29.858 23.964 1.00 0.00 H new ATOM 0 HB3 ALA A 105 40.889 29.325 25.512 1.00 0.00 H new ATOM 732 N ALA A 106 40.758 26.850 26.350 1.00 0.00 N ATOM 733 CA ALA A 106 40.740 25.912 27.446 1.00 0.00 C ATOM 734 C ALA A 106 40.213 24.567 26.974 1.00 0.00 C ATOM 735 O ALA A 106 40.342 23.575 27.689 1.00 0.00 O ATOM 736 CB ALA A 106 39.872 26.466 28.572 1.00 0.00 C ATOM 0 H ALA A 106 40.141 27.652 26.476 1.00 0.00 H new ATOM 0 HA ALA A 106 41.754 25.768 27.819 1.00 0.00 H new ATOM 0 HB1 ALA A 106 39.857 25.759 29.401 1.00 0.00 H new ATOM 0 HB2 ALA A 106 40.282 27.417 28.913 1.00 0.00 H new ATOM 0 HB3 ALA A 106 38.856 26.619 28.207 1.00 0.00 H new ATOM 739 N PHE A 107 39.623 24.514 25.774 1.00 0.00 N ATOM 740 CA PHE A 107 39.108 23.273 25.231 1.00 0.00 C ATOM 741 C PHE A 107 40.282 22.437 24.749 1.00 0.00 C ATOM 742 O PHE A 107 40.271 21.214 24.868 1.00 0.00 O ATOM 743 CB PHE A 107 38.164 23.574 24.072 1.00 0.00 C ATOM 0 H PHE A 107 39.495 25.324 25.167 1.00 0.00 H new ATOM 0 HA PHE A 107 38.555 22.726 25.994 1.00 0.00 H new ATOM 746 N GLY A 108 41.304 23.109 24.213 1.00 0.00 N ATOM 747 CA GLY A 108 42.493 22.431 23.739 1.00 0.00 C ATOM 748 C GLY A 108 43.296 21.965 24.947 1.00 0.00 C ATOM 749 O GLY A 108 43.780 20.834 24.986 1.00 0.00 O ATOM 0 H GLY A 108 41.323 24.123 24.100 1.00 0.00 H new ATOM 0 HA2 GLY A 108 42.221 21.581 23.114 1.00 0.00 H new ATOM 0 HA3 GLY A 108 43.091 23.102 23.122 1.00 0.00 H new ATOM 753 N ALA A 109 43.410 22.837 25.952 1.00 0.00 N ATOM 754 CA ALA A 109 44.139 22.512 27.162 1.00 0.00 C ATOM 755 C ALA A 109 43.348 21.474 27.948 1.00 0.00 C ATOM 756 O ALA A 109 43.919 20.692 28.705 1.00 0.00 O ATOM 757 CB ALA A 109 44.342 23.779 27.989 1.00 0.00 C ATOM 0 H ALA A 109 43.003 23.772 25.943 1.00 0.00 H new ATOM 0 HA ALA A 109 45.118 22.101 26.916 1.00 0.00 H new ATOM 0 HB1 ALA A 109 44.890 23.535 28.899 1.00 0.00 H new ATOM 0 HB2 ALA A 109 44.909 24.506 27.408 1.00 0.00 H new ATOM 0 HB3 ALA A 109 43.372 24.201 28.252 1.00 0.00 H new ATOM 760 N ALA A 110 42.027 21.469 27.752 1.00 0.00 N ATOM 761 CA ALA A 110 41.156 20.531 28.431 1.00 0.00 C ATOM 762 C ALA A 110 41.417 19.122 27.921 1.00 0.00 C ATOM 763 O ALA A 110 41.645 18.201 28.707 1.00 0.00 O ATOM 764 CB ALA A 110 39.699 20.920 28.199 1.00 0.00 C ATOM 0 H ALA A 110 41.544 22.111 27.124 1.00 0.00 H new ATOM 0 HA ALA A 110 41.360 20.558 29.501 1.00 0.00 H new ATOM 0 HB1 ALA A 110 39.047 20.212 28.711 1.00 0.00 H new ATOM 0 HB2 ALA A 110 39.524 21.923 28.589 1.00 0.00 H new ATOM 0 HB3 ALA A 110 39.484 20.904 27.131 1.00 0.00 H new ATOM 767 N LEU A 111 41.404 18.942 26.598 1.00 0.00 N ATOM 768 CA LEU A 111 41.618 17.646 26.003 1.00 0.00 C ATOM 769 C LEU A 111 43.059 17.224 26.218 1.00 0.00 C ATOM 770 O LEU A 111 43.356 16.032 26.217 1.00 0.00 O ATOM 771 CB LEU A 111 41.288 17.710 24.515 1.00 0.00 C ATOM 0 H LEU A 111 41.245 19.692 25.925 1.00 0.00 H new ATOM 0 HA LEU A 111 40.966 16.909 26.472 1.00 0.00 H new ATOM 774 N GLN A 112 43.965 18.188 26.415 1.00 0.00 N ATOM 775 CA GLN A 112 45.362 17.894 26.646 1.00 0.00 C ATOM 776 C GLN A 112 45.509 17.201 27.989 1.00 0.00 C ATOM 777 O GLN A 112 46.213 16.199 28.089 1.00 0.00 O ATOM 778 CB GLN A 112 46.166 19.190 26.614 1.00 0.00 C ATOM 0 H GLN A 112 43.741 19.183 26.417 1.00 0.00 H new ATOM 0 HA GLN A 112 45.741 17.233 25.866 1.00 0.00 H new ATOM 781 N LYS A 113 44.842 17.715 29.028 1.00 0.00 N ATOM 782 CA LYS A 113 44.900 17.117 30.343 1.00 0.00 C ATOM 783 C LYS A 113 44.310 15.720 30.246 1.00 0.00 C ATOM 784 O LYS A 113 44.819 14.783 30.858 1.00 0.00 O ATOM 785 CB LYS A 113 44.109 17.973 31.327 1.00 0.00 C ATOM 0 H LYS A 113 44.256 18.548 28.971 1.00 0.00 H new ATOM 0 HA LYS A 113 45.928 17.057 30.699 1.00 0.00 H new ATOM 788 N LEU A 114 43.240 15.579 29.458 1.00 0.00 N ATOM 789 CA LEU A 114 42.612 14.288 29.260 1.00 0.00 C ATOM 790 C LEU A 114 43.639 13.358 28.626 1.00 0.00 C ATOM 791 O LEU A 114 43.721 12.178 28.966 1.00 0.00 O ATOM 792 CB LEU A 114 41.412 14.447 28.331 1.00 0.00 C ATOM 0 H LEU A 114 42.798 16.347 28.952 1.00 0.00 H new ATOM 0 HA LEU A 114 42.269 13.877 30.209 1.00 0.00 H new ATOM 795 N GLY A 115 44.433 13.919 27.710 1.00 0.00 N ATOM 796 CA GLY A 115 45.439 13.170 26.985 1.00 0.00 C ATOM 797 C GLY A 115 46.519 12.632 27.911 1.00 0.00 C ATOM 798 O GLY A 115 46.791 11.434 27.911 1.00 0.00 O ATOM 0 H GLY A 115 44.389 14.906 27.457 1.00 0.00 H new ATOM 0 HA2 GLY A 115 44.966 12.341 26.458 1.00 0.00 H new ATOM 0 HA3 GLY A 115 45.894 13.810 26.229 1.00 0.00 H new ATOM 802 N GLY A 116 47.141 13.511 28.701 1.00 0.00 N ATOM 803 CA GLY A 116 48.199 13.118 29.605 1.00 0.00 C ATOM 804 C GLY A 116 47.645 12.325 30.779 1.00 0.00 C ATOM 805 O GLY A 116 48.408 11.707 31.515 1.00 0.00 O ATOM 0 H GLY A 116 46.920 14.506 28.725 1.00 0.00 H new ATOM 0 HA2 GLY A 116 48.935 12.517 29.070 1.00 0.00 H new ATOM 0 HA3 GLY A 116 48.717 14.004 29.972 1.00 0.00 H new ATOM 809 N THR A 117 46.323 12.337 30.958 1.00 0.00 N ATOM 810 CA THR A 117 45.701 11.601 32.039 1.00 0.00 C ATOM 811 C THR A 117 45.727 10.119 31.693 1.00 0.00 C ATOM 812 O THR A 117 46.355 9.323 32.390 1.00 0.00 O ATOM 813 CB THR A 117 44.268 12.090 32.233 1.00 0.00 C ATOM 0 H THR A 117 45.671 12.850 30.365 1.00 0.00 H new ATOM 0 HA THR A 117 46.243 11.761 32.971 1.00 0.00 H new ATOM 816 N CYS A 118 45.050 9.756 30.601 1.00 0.00 N ATOM 817 CA CYS A 118 45.003 8.378 30.158 1.00 0.00 C ATOM 818 C CYS A 118 46.407 7.918 29.790 1.00 0.00 C ATOM 819 O CYS A 118 46.841 6.846 30.210 1.00 0.00 O ATOM 820 CB CYS A 118 44.065 8.261 28.960 1.00 0.00 C ATOM 0 H CYS A 118 44.529 10.406 30.012 1.00 0.00 H new ATOM 0 HA CYS A 118 44.625 7.742 30.959 1.00 0.00 H new ATOM 823 N LYS A 119 47.113 8.740 29.006 1.00 0.00 N ATOM 824 CA LYS A 119 48.463 8.438 28.574 1.00 0.00 C ATOM 825 C LYS A 119 49.336 8.112 29.773 1.00 0.00 C ATOM 826 O LYS A 119 49.978 7.093 29.773 1.00 0.00 O ATOM 827 CB LYS A 119 49.028 9.631 27.807 1.00 0.00 C ATOM 0 H LYS A 119 46.756 9.630 28.659 1.00 0.00 H new ATOM 0 HA LYS A 119 48.448 7.568 27.917 1.00 0.00 H new ATOM 830 N ALA A 120 49.339 8.986 30.780 1.00 0.00 N ATOM 831 CA ALA A 120 50.124 8.773 31.983 1.00 0.00 C ATOM 832 C ALA A 120 49.831 7.397 32.562 1.00 0.00 C ATOM 833 O ALA A 120 50.714 6.541 32.566 1.00 0.00 O ATOM 834 CB ALA A 120 49.823 9.857 33.012 1.00 0.00 C ATOM 0 H ALA A 120 48.800 9.852 30.780 1.00 0.00 H new ATOM 0 HA ALA A 120 51.182 8.826 31.725 1.00 0.00 H new ATOM 0 HB1 ALA A 120 50.419 9.684 33.908 1.00 0.00 H new ATOM 0 HB2 ALA A 120 50.070 10.833 32.595 1.00 0.00 H new ATOM 0 HB3 ALA A 120 48.764 9.830 33.270 1.00 0.00 H new ATOM 837 N CYS A 121 48.604 7.206 33.062 1.00 0.00 N ATOM 838 CA CYS A 121 48.165 5.948 33.648 1.00 0.00 C ATOM 839 C CYS A 121 48.635 4.731 32.860 1.00 0.00 C ATOM 840 O CYS A 121 49.553 4.039 33.294 1.00 0.00 O ATOM 841 CB CYS A 121 46.643 5.953 33.756 1.00 0.00 C ATOM 0 H CYS A 121 47.887 7.931 33.068 1.00 0.00 H new ATOM 0 HA CYS A 121 48.616 5.868 34.637 1.00 0.00 H new ATOM 844 N HIS A 122 47.998 4.462 31.716 1.00 0.00 N ATOM 845 CA HIS A 122 48.348 3.322 30.887 1.00 0.00 C ATOM 846 C HIS A 122 49.842 3.292 30.591 1.00 0.00 C ATOM 847 O HIS A 122 50.462 2.233 30.660 1.00 0.00 O ATOM 848 CB HIS A 122 47.547 3.379 29.590 1.00 0.00 C ATOM 0 H HIS A 122 47.233 5.027 31.348 1.00 0.00 H new ATOM 0 HA HIS A 122 48.103 2.407 31.427 1.00 0.00 H new ATOM 851 N ASP A 123 50.404 4.458 30.255 1.00 0.00 N ATOM 852 CA ASP A 123 51.813 4.598 29.935 1.00 0.00 C ATOM 853 C ASP A 123 52.712 3.887 30.937 1.00 0.00 C ATOM 854 O ASP A 123 53.433 2.963 30.568 1.00 0.00 O ATOM 855 CB ASP A 123 52.202 6.066 29.870 1.00 0.00 C ATOM 0 H ASP A 123 49.883 5.333 30.199 1.00 0.00 H new ATOM 0 HA ASP A 123 51.958 4.129 28.962 1.00 0.00 H new ATOM 858 N ASP A 124 52.681 4.312 32.203 1.00 0.00 N ATOM 859 CA ASP A 124 53.510 3.712 33.230 1.00 0.00 C ATOM 860 C ASP A 124 52.953 2.351 33.624 1.00 0.00 C ATOM 861 O ASP A 124 53.713 1.410 33.842 1.00 0.00 O ATOM 862 CB ASP A 124 53.566 4.641 34.439 1.00 0.00 C ATOM 0 H ASP A 124 52.086 5.072 32.533 1.00 0.00 H new ATOM 0 HA ASP A 124 54.520 3.568 32.846 1.00 0.00 H new ATOM 865 N TYR A 125 51.625 2.252 33.712 1.00 0.00 N ATOM 866 CA TYR A 125 50.969 1.014 34.084 1.00 0.00 C ATOM 867 C TYR A 125 51.423 -0.119 33.173 1.00 0.00 C ATOM 868 O TYR A 125 51.888 -1.151 33.652 1.00 0.00 O ATOM 869 CB TYR A 125 49.456 1.198 34.003 1.00 0.00 C ATOM 0 H TYR A 125 50.986 3.025 33.528 1.00 0.00 H new ATOM 0 HA TYR A 125 51.240 0.754 35.107 1.00 0.00 H new ATOM 872 N ARG A 126 51.286 0.076 31.859 1.00 0.00 N ATOM 873 CA ARG A 126 51.680 -0.929 30.892 1.00 0.00 C ATOM 874 C ARG A 126 53.138 -1.308 31.107 1.00 0.00 C ATOM 875 O ARG A 126 53.433 -2.410 31.564 1.00 0.00 O ATOM 876 CB ARG A 126 51.463 -0.390 29.481 1.00 0.00 C ATOM 0 H ARG A 126 50.903 0.927 31.448 1.00 0.00 H new ATOM 0 HA ARG A 126 51.070 -1.823 31.022 1.00 0.00 H new ATOM 879 N GLU A 127 54.050 -0.391 30.773 1.00 0.00 N ATOM 880 CA GLU A 127 55.471 -0.629 30.933 1.00 0.00 C ATOM 881 C GLU A 127 55.872 -1.903 30.202 1.00 0.00 C ATOM 882 O GLU A 127 56.265 -2.883 30.830 1.00 0.00 O ATOM 883 CB GLU A 127 55.803 -0.733 32.419 1.00 0.00 C ATOM 0 H GLU A 127 53.819 0.525 30.389 1.00 0.00 H new ATOM 0 HA GLU A 127 56.031 0.202 30.503 1.00 0.00 H new ATOM 886 N GLU A 128 55.772 -1.886 28.870 1.00 0.00 N ATOM 887 CA GLU A 128 56.122 -3.036 28.061 1.00 0.00 C ATOM 888 C GLU A 128 57.551 -3.466 28.363 1.00 0.00 C ATOM 889 O GLU A 128 58.402 -3.467 27.476 1.00 0.00 O ATOM 890 CB GLU A 128 55.964 -2.685 26.584 1.00 0.00 C ATOM 0 H GLU A 128 55.449 -1.080 28.335 1.00 0.00 H new ATOM 0 HA GLU A 128 55.457 -3.867 28.297 1.00 0.00 H new ATOM 893 N ASP A 129 57.812 -3.833 29.620 1.00 0.00 N ATOM 894 CA ASP A 129 59.133 -4.263 30.033 1.00 0.00 C ATOM 895 C ASP A 129 59.055 -4.919 31.404 1.00 0.00 C ATOM 896 O ASP A 129 58.931 -6.162 31.433 1.00 0.00 O ATOM 897 CB ASP A 129 60.073 -3.062 30.060 1.00 0.00 C ATOM 0 H ASP A 129 57.117 -3.838 30.366 1.00 0.00 H new ATOM 0 HA ASP A 129 59.521 -4.994 29.324 1.00 0.00 H new TER 900 ASP A 129 HETATM 901 FE HEM A 130 43.036 3.960 28.133 1.00 0.00 FE