EXPDTA SP3_TS3-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called SP3_TS3-scwrl ATOM 1 N MET A 1 -15.331 17.342 -14.631 1.00 0.00 ATOM 2 CA MET A 1 -16.150 18.568 -14.493 1.00 0.00 ATOM 3 CB MET A 1 -16.793 18.629 -13.106 1.00 0.00 ATOM 4 CG MET A 1 -17.817 17.536 -12.848 1.00 0.00 ATOM 5 SD MET A 1 -19.220 17.615 -13.978 1.00 0.00 ATOM 6 CE MET A 1 -20.026 19.111 -13.413 1.00 0.00 ATOM 7 O MET A 1 -14.704 19.981 -15.730 1.00 0.00 ATOM 8 C MET A 1 -15.304 19.783 -14.675 1.00 0.00 ATOM 9 N ASP A 2 -15.240 20.636 -13.636 1.00 0.00 ATOM 10 CA ASP A 2 -14.466 21.836 -13.736 1.00 0.00 ATOM 11 CB ASP A 2 -14.888 22.837 -12.659 1.00 0.00 ATOM 12 CG ASP A 2 -16.238 23.465 -12.944 1.00 0.00 ATOM 13 OD1 ASP A 2 -16.730 23.325 -14.084 1.00 0.00 ATOM 14 OD2 ASP A 2 -16.805 24.097 -12.028 1.00 0.00 ATOM 15 O ASP A 2 -12.705 20.319 -13.277 1.00 0.00 ATOM 16 C ASP A 2 -13.032 21.471 -13.552 1.00 0.00 ATOM 17 N ALA A 3 -12.132 22.458 -13.733 1.00 0.00 ATOM 18 CA ALA A 3 -10.734 22.164 -13.657 1.00 0.00 ATOM 19 CB ALA A 3 -9.913 23.413 -13.939 1.00 0.00 ATOM 20 O ALA A 3 -9.808 20.595 -12.162 1.00 0.00 ATOM 21 C ALA A 3 -10.398 21.664 -12.292 1.00 0.00 ATOM 22 N LYS A 4 -10.794 22.397 -11.231 1.00 0.00 ATOM 23 CA LYS A 4 -10.479 21.900 -9.924 1.00 0.00 ATOM 24 CB LYS A 4 -8.993 22.097 -9.620 1.00 0.00 ATOM 25 CG LYS A 4 -8.562 21.568 -8.261 1.00 0.00 ATOM 26 CD LYS A 4 -8.553 20.048 -8.238 1.00 0.00 ATOM 27 CE LYS A 4 -8.111 19.520 -6.883 1.00 0.00 ATOM 28 NZ LYS A 4 -8.120 18.031 -6.838 1.00 0.00 ATOM 29 O LYS A 4 -11.351 23.855 -8.896 1.00 0.00 ATOM 30 C LYS A 4 -11.277 22.627 -8.897 1.00 0.00 ATOM 31 N PHE A 5 -11.899 21.857 -7.982 1.00 0.00 ATOM 32 CA PHE A 5 -12.578 22.452 -6.873 1.00 0.00 ATOM 33 CB PHE A 5 -13.813 21.631 -6.498 1.00 0.00 ATOM 34 CG PHE A 5 -14.913 21.689 -7.518 1.00 0.00 ATOM 35 CD1 PHE A 5 -15.016 20.722 -8.503 1.00 0.00 ATOM 36 CD2 PHE A 5 -15.845 22.712 -7.495 1.00 0.00 ATOM 37 CE1 PHE A 5 -16.029 20.776 -9.442 1.00 0.00 ATOM 38 CE2 PHE A 5 -16.858 22.766 -8.434 1.00 0.00 ATOM 39 CZ PHE A 5 -16.952 21.804 -9.405 1.00 0.00 ATOM 40 O PHE A 5 -11.068 21.375 -5.410 1.00 0.00 ATOM 41 C PHE A 5 -11.549 22.436 -5.806 1.00 0.00 ATOM 42 N LEU A 6 -11.171 23.620 -5.304 1.00 0.00 ATOM 43 CA LEU A 6 -10.067 23.587 -4.410 1.00 0.00 ATOM 44 CB LEU A 6 -8.986 24.573 -4.857 1.00 0.00 ATOM 45 CG LEU A 6 -8.409 24.356 -6.258 1.00 0.00 ATOM 46 CD1 LEU A 6 -7.410 25.451 -6.603 1.00 0.00 ATOM 47 CD2 LEU A 6 -7.694 23.016 -6.344 1.00 0.00 ATOM 48 O LEU A 6 -11.335 24.723 -2.736 1.00 0.00 ATOM 49 C LEU A 6 -10.427 23.943 -3.026 1.00 0.00 ATOM 50 N GLU A 7 -9.623 23.329 -2.152 1.00 0.00 ATOM 51 CA GLU A 7 -9.615 23.453 -0.748 1.00 0.00 ATOM 52 CB GLU A 7 -8.594 22.495 -0.131 1.00 0.00 ATOM 53 CG GLU A 7 -8.992 21.030 -0.208 1.00 0.00 ATOM 54 CD GLU A 7 -7.919 20.105 0.331 1.00 0.00 ATOM 55 OE1 GLU A 7 -6.829 20.602 0.684 1.00 0.00 ATOM 56 OE2 GLU A 7 -8.168 18.883 0.400 1.00 0.00 ATOM 57 O GLU A 7 -9.552 25.339 0.647 1.00 0.00 ATOM 58 C GLU A 7 -9.251 24.859 -0.443 1.00 0.00 ATOM 59 N ILE A 8 -8.599 25.551 -1.406 1.00 0.00 ATOM 60 CA ILE A 8 -8.173 26.902 -1.172 1.00 0.00 ATOM 61 CB ILE A 8 -7.615 27.548 -2.454 1.00 0.00 ATOM 62 CG1 ILE A 8 -6.322 26.852 -2.882 1.00 0.00 ATOM 63 CG2 ILE A 8 -7.316 29.021 -2.221 1.00 0.00 ATOM 64 CD1 ILE A 8 -5.857 27.228 -4.272 1.00 0.00 ATOM 65 O ILE A 8 -9.327 28.253 0.378 1.00 0.00 ATOM 66 C ILE A 8 -9.365 27.667 -0.704 1.00 0.00 ATOM 67 N LEU A 9 -10.469 27.684 -1.466 1.00 0.00 ATOM 68 CA LEU A 9 -11.623 28.205 -0.814 1.00 0.00 ATOM 69 CB LEU A 9 -12.679 28.617 -1.842 1.00 0.00 ATOM 70 CG LEU A 9 -13.948 29.267 -1.287 1.00 0.00 ATOM 71 CD1 LEU A 9 -13.612 30.545 -0.533 1.00 0.00 ATOM 72 CD2 LEU A 9 -14.909 29.617 -2.412 1.00 0.00 ATOM 73 O LEU A 9 -12.682 27.474 1.167 1.00 0.00 ATOM 74 C LEU A 9 -12.197 27.154 0.084 1.00 0.00 ATOM 75 N VAL A 10 -12.140 25.858 -0.313 1.00 0.00 ATOM 76 CA VAL A 10 -12.826 24.923 0.530 1.00 0.00 ATOM 77 CB VAL A 10 -13.378 23.734 -0.278 1.00 0.00 ATOM 78 CG1 VAL A 10 -14.122 22.770 0.633 1.00 0.00 ATOM 79 CG2 VAL A 10 -14.341 24.221 -1.351 1.00 0.00 ATOM 80 O VAL A 10 -11.258 23.344 1.412 1.00 0.00 ATOM 81 C VAL A 10 -11.924 24.362 1.584 1.00 0.00 ATOM 82 N CYS A 11 -11.924 25.012 2.758 1.00 0.00 ATOM 83 CA CYS A 11 -11.127 24.550 3.849 1.00 0.00 ATOM 84 CB CYS A 11 -11.117 25.581 4.979 1.00 0.00 ATOM 85 SG CYS A 11 -10.375 27.169 4.536 1.00 0.00 ATOM 86 O CYS A 11 -12.872 22.965 3.840 1.00 0.00 ATOM 87 C CYS A 11 -11.771 23.282 4.281 1.00 0.00 ATOM 88 N PRO A 12 -11.102 22.497 5.068 1.00 0.00 ATOM 89 CA PRO A 12 -11.740 21.295 5.503 1.00 0.00 ATOM 90 CB PRO A 12 -10.665 20.583 6.327 1.00 0.00 ATOM 91 CG PRO A 12 -9.376 21.030 5.725 1.00 0.00 ATOM 92 CD PRO A 12 -9.552 22.486 5.395 1.00 0.00 ATOM 93 O PRO A 12 -13.986 20.899 6.065 1.00 0.00 ATOM 94 C PRO A 12 -12.964 21.528 6.336 1.00 0.00 ATOM 95 N LEU A 13 -12.877 22.386 7.375 1.00 0.00 ATOM 96 CA LEU A 13 -14.010 22.649 8.222 1.00 0.00 ATOM 97 CB LEU A 13 -13.565 23.335 9.515 1.00 0.00 ATOM 98 CG LEU A 13 -12.693 22.504 10.458 1.00 0.00 ATOM 99 CD1 LEU A 13 -12.200 23.351 11.621 1.00 0.00 ATOM 100 CD2 LEU A 13 -13.480 21.332 11.024 1.00 0.00 ATOM 101 O LEU A 13 -16.213 23.227 7.532 1.00 0.00 ATOM 102 C LEU A 13 -15.025 23.541 7.572 1.00 0.00 ATOM 103 N CYS A 14 -14.550 24.681 7.034 1.00 0.00 ATOM 104 CA CYS A 14 -15.376 25.725 6.496 1.00 0.00 ATOM 105 CB CYS A 14 -14.528 26.946 6.133 1.00 0.00 ATOM 106 SG CYS A 14 -15.481 28.378 5.577 1.00 0.00 ATOM 107 O CYS A 14 -17.254 25.659 5.083 1.00 0.00 ATOM 108 C CYS A 14 -16.093 25.298 5.268 1.00 0.00 ATOM 109 N LYS A 15 -15.415 24.524 4.401 1.00 0.00 ATOM 110 CA LYS A 15 -15.958 24.185 3.119 1.00 0.00 ATOM 111 CB LYS A 15 -17.256 23.391 3.280 1.00 0.00 ATOM 112 CG LYS A 15 -17.089 22.071 4.015 1.00 0.00 ATOM 113 CD LYS A 15 -18.390 21.286 4.042 1.00 0.00 ATOM 114 CE LYS A 15 -18.238 19.992 4.826 1.00 0.00 ATOM 115 NZ LYS A 15 -19.490 19.187 4.817 1.00 0.00 ATOM 116 O LYS A 15 -15.589 26.494 2.804 1.00 0.00 ATOM 117 C LYS A 15 -16.205 25.497 2.448 1.00 0.00 ATOM 118 N GLY A 16 -17.117 25.574 1.472 1.00 0.00 ATOM 119 CA GLY A 16 -17.271 26.826 0.783 1.00 0.00 ATOM 120 O GLY A 16 -15.889 27.887 -0.822 1.00 0.00 ATOM 121 C GLY A 16 -16.385 26.835 -0.427 1.00 0.00 ATOM 122 N PRO A 17 -16.227 25.697 -1.059 1.00 0.00 ATOM 123 CA PRO A 17 -15.250 25.537 -2.098 1.00 0.00 ATOM 124 CB PRO A 17 -15.535 24.144 -2.663 1.00 0.00 ATOM 125 CG PRO A 17 -16.951 23.869 -2.282 1.00 0.00 ATOM 126 CD PRO A 17 -17.169 24.557 -0.963 1.00 0.00 ATOM 127 O PRO A 17 -16.413 27.058 -3.477 1.00 0.00 ATOM 128 C PRO A 17 -15.330 26.552 -3.186 1.00 0.00 ATOM 129 N LEU A 18 -14.159 26.886 -3.762 1.00 0.00 ATOM 130 CA LEU A 18 -14.090 27.744 -4.902 1.00 0.00 ATOM 131 CB LEU A 18 -13.866 29.194 -4.468 1.00 0.00 ATOM 132 CG LEU A 18 -13.717 30.222 -5.592 1.00 0.00 ATOM 133 CD1 LEU A 18 -15.037 30.417 -6.321 1.00 0.00 ATOM 134 CD2 LEU A 18 -13.278 31.568 -5.034 1.00 0.00 ATOM 135 O LEU A 18 -12.011 26.653 -5.152 1.00 0.00 ATOM 136 C LEU A 18 -12.937 27.242 -5.707 1.00 0.00 ATOM 137 N VAL A 19 -12.974 27.442 -7.040 1.00 0.00 ATOM 138 CA VAL A 19 -11.908 26.950 -7.867 1.00 0.00 ATOM 139 CB VAL A 19 -12.361 26.779 -9.329 1.00 0.00 ATOM 140 CG1 VAL A 19 -11.197 26.326 -10.197 1.00 0.00 ATOM 141 CG2 VAL A 19 -13.466 25.739 -9.426 1.00 0.00 ATOM 142 O VAL A 19 -10.945 29.111 -8.078 1.00 0.00 ATOM 143 C VAL A 19 -10.770 27.919 -7.831 1.00 0.00 ATOM 144 N PHE A 20 -9.574 27.427 -7.444 1.00 0.00 ATOM 145 CA PHE A 20 -8.390 28.239 -7.435 1.00 0.00 ATOM 146 CB PHE A 20 -7.311 27.603 -6.557 1.00 0.00 ATOM 147 CG PHE A 20 -6.037 28.396 -6.491 1.00 0.00 ATOM 148 CD1 PHE A 20 -5.931 29.493 -5.653 1.00 0.00 ATOM 149 CD2 PHE A 20 -4.946 28.047 -7.267 1.00 0.00 ATOM 150 CE1 PHE A 20 -4.759 30.223 -5.593 1.00 0.00 ATOM 151 CE2 PHE A 20 -3.774 28.777 -7.206 1.00 0.00 ATOM 152 CZ PHE A 20 -3.678 29.861 -6.374 1.00 0.00 ATOM 153 O PHE A 20 -7.460 29.499 -9.214 1.00 0.00 ATOM 154 C PHE A 20 -7.834 28.396 -8.817 1.00 0.00 ATOM 155 N ASP A 21 -7.754 27.272 -9.565 1.00 0.00 ATOM 156 CA ASP A 21 -7.178 27.219 -10.878 1.00 0.00 ATOM 157 CB ASP A 21 -8.127 27.840 -11.905 1.00 0.00 ATOM 158 CG ASP A 21 -7.715 27.542 -13.333 1.00 0.00 ATOM 159 OD1 ASP A 21 -7.280 26.403 -13.601 1.00 0.00 ATOM 160 OD2 ASP A 21 -7.829 28.449 -14.185 1.00 0.00 ATOM 161 O ASP A 21 -5.587 28.714 -11.804 1.00 0.00 ATOM 162 C ASP A 21 -5.891 27.983 -10.862 1.00 0.00 ATOM 163 N LYS A 22 -5.086 27.817 -9.791 1.00 0.00 ATOM 164 CA LYS A 22 -3.865 28.568 -9.682 1.00 0.00 ATOM 165 CB LYS A 22 -3.894 29.461 -8.440 1.00 0.00 ATOM 166 CG LYS A 22 -4.951 30.554 -8.487 1.00 0.00 ATOM 167 CD LYS A 22 -4.595 31.623 -9.507 1.00 0.00 ATOM 168 CE LYS A 22 -3.433 32.478 -9.028 1.00 0.00 ATOM 169 NZ LYS A 22 -3.005 33.462 -10.060 1.00 0.00 ATOM 170 O LYS A 22 -2.832 26.485 -9.140 1.00 0.00 ATOM 171 C LYS A 22 -2.704 27.627 -9.575 1.00 0.00 ATOM 172 N SER A 23 -1.525 28.095 -10.023 1.00 0.00 ATOM 173 CA SER A 23 -0.302 27.341 -9.997 1.00 0.00 ATOM 174 CB SER A 23 0.736 27.971 -10.928 1.00 0.00 ATOM 175 OG SER A 23 1.139 29.245 -10.454 1.00 0.00 ATOM 176 O SER A 23 1.126 26.474 -8.311 1.00 0.00 ATOM 177 C SER A 23 0.269 27.305 -8.605 1.00 0.00 ATOM 178 N LYS A 24 -0.194 28.206 -7.714 1.00 0.00 ATOM 179 CA LYS A 24 0.385 28.382 -6.404 1.00 0.00 ATOM 180 CB LYS A 24 0.045 29.767 -5.850 1.00 0.00 ATOM 181 CG LYS A 24 0.682 30.915 -6.615 1.00 0.00 ATOM 182 CD LYS A 24 0.337 32.256 -5.987 1.00 0.00 ATOM 183 CE LYS A 24 0.911 33.408 -6.795 1.00 0.00 ATOM 184 NZ LYS A 24 0.585 34.728 -6.189 1.00 0.00 ATOM 185 O LYS A 24 -1.091 26.655 -5.667 1.00 0.00 ATOM 186 C LYS A 24 -0.117 27.366 -5.421 1.00 0.00 ATOM 187 N ASP A 25 0.594 27.258 -4.274 1.00 0.00 ATOM 188 CA ASP A 25 0.238 26.335 -3.236 1.00 0.00 ATOM 189 CB ASP A 25 1.410 25.403 -2.922 1.00 0.00 ATOM 190 CG ASP A 25 2.629 26.150 -2.417 1.00 0.00 ATOM 191 OD1 ASP A 25 2.591 27.398 -2.388 1.00 0.00 ATOM 192 OD2 ASP A 25 3.622 25.487 -2.051 1.00 0.00 ATOM 193 O ASP A 25 -0.163 26.582 -0.916 1.00 0.00 ATOM 194 C ASP A 25 -0.118 27.128 -2.017 1.00 0.00 ATOM 195 N GLU A 26 -0.379 28.443 -2.166 1.00 0.00 ATOM 196 CA GLU A 26 -0.763 29.180 -0.999 1.00 0.00 ATOM 197 CB GLU A 26 0.123 30.416 -0.830 1.00 0.00 ATOM 198 CG GLU A 26 1.589 30.099 -0.583 1.00 0.00 ATOM 199 CD GLU A 26 2.430 31.346 -0.390 1.00 0.00 ATOM 200 OE1 GLU A 26 1.863 32.458 -0.441 1.00 0.00 ATOM 201 OE2 GLU A 26 3.654 31.211 -0.186 1.00 0.00 ATOM 202 O GLU A 26 -2.476 30.684 -1.661 1.00 0.00 ATOM 203 C GLU A 26 -2.183 29.592 -1.179 1.00 0.00 ATOM 204 N LEU A 27 -3.099 28.704 -0.761 1.00 0.00 ATOM 205 CA LEU A 27 -4.511 28.906 -0.852 1.00 0.00 ATOM 206 CB LEU A 27 -5.250 27.568 -0.776 1.00 0.00 ATOM 207 CG LEU A 27 -4.965 26.572 -1.902 1.00 0.00 ATOM 208 CD1 LEU A 27 -5.687 25.257 -1.652 1.00 0.00 ATOM 209 CD2 LEU A 27 -5.434 27.125 -3.240 1.00 0.00 ATOM 210 O LEU A 27 -4.396 29.623 1.393 1.00 0.00 ATOM 211 C LEU A 27 -4.914 29.773 0.287 1.00 0.00 ATOM 212 N ILE A 28 -5.852 30.706 0.033 1.00 0.00 ATOM 213 CA ILE A 28 -6.373 31.518 1.087 1.00 0.00 ATOM 214 CB ILE A 28 -5.930 32.986 0.941 1.00 0.00 ATOM 215 CG1 ILE A 28 -4.404 33.090 0.994 1.00 0.00 ATOM 216 CG2 ILE A 28 -6.510 33.832 2.063 1.00 0.00 ATOM 217 CD1 ILE A 28 -3.874 34.464 0.651 1.00 0.00 ATOM 218 O ILE A 28 -8.445 31.661 -0.062 1.00 0.00 ATOM 219 C ILE A 28 -7.858 31.416 0.991 1.00 0.00 ATOM 220 N CYS A 29 -8.513 31.039 2.100 1.00 0.00 ATOM 221 CA CYS A 29 -9.941 30.919 2.062 1.00 0.00 ATOM 222 CB CYS A 29 -10.447 30.154 3.286 1.00 0.00 ATOM 223 SG CYS A 29 -9.929 28.423 3.352 1.00 0.00 ATOM 224 O CYS A 29 -10.009 33.193 2.720 1.00 0.00 ATOM 225 C CYS A 29 -10.514 32.292 2.054 1.00 0.00 ATOM 226 N LYS A 30 -11.598 32.481 1.280 1.00 0.00 ATOM 227 CA LYS A 30 -12.231 33.759 1.247 1.00 0.00 ATOM 228 CB LYS A 30 -13.104 33.893 -0.003 1.00 0.00 ATOM 229 CG LYS A 30 -13.756 35.256 -0.161 1.00 0.00 ATOM 230 CD LYS A 30 -14.550 35.341 -1.454 1.00 0.00 ATOM 231 CE LYS A 30 -15.167 36.719 -1.634 1.00 0.00 ATOM 232 NZ LYS A 30 -15.932 36.823 -2.907 1.00 0.00 ATOM 233 O LYS A 30 -14.224 33.435 2.495 1.00 0.00 ATOM 234 C LYS A 30 -13.061 33.835 2.481 1.00 0.00 ATOM 235 N GLY A 31 -12.485 34.404 3.549 1.00 0.00 ATOM 236 CA GLY A 31 -13.215 34.524 4.773 1.00 0.00 ATOM 237 O GLY A 31 -12.203 34.637 6.904 1.00 0.00 ATOM 238 C GLY A 31 -12.427 33.949 5.911 1.00 0.00 ATOM 239 N ASP A 32 -11.993 32.678 5.829 1.00 0.00 ATOM 240 CA ASP A 32 -11.215 32.133 6.906 1.00 0.00 ATOM 241 CB ASP A 32 -11.064 30.619 6.745 1.00 0.00 ATOM 242 CG ASP A 32 -12.346 29.870 7.048 1.00 0.00 ATOM 243 OD1 ASP A 32 -13.274 30.485 7.615 1.00 0.00 ATOM 244 OD2 ASP A 32 -12.424 28.668 6.718 1.00 0.00 ATOM 245 O ASP A 32 -9.296 33.157 7.880 1.00 0.00 ATOM 246 C ASP A 32 -9.875 32.793 6.857 1.00 0.00 ATOM 247 N ARG A 33 -9.369 32.986 5.625 1.00 0.00 ATOM 248 CA ARG A 33 -8.097 33.598 5.384 1.00 0.00 ATOM 249 CB ARG A 33 -8.060 35.008 5.977 1.00 0.00 ATOM 250 CG ARG A 33 -9.051 35.973 5.347 1.00 0.00 ATOM 251 CD ARG A 33 -8.939 37.359 5.961 1.00 0.00 ATOM 252 NE ARG A 33 -9.993 38.253 5.489 1.00 0.00 ATOM 253 CZ ARG A 33 -10.143 39.510 5.894 1.00 0.00 ATOM 254 NH1 ARG A 33 -11.132 40.249 5.411 1.00 0.00 ATOM 255 NH2 ARG A 33 -9.304 40.025 6.782 1.00 0.00 ATOM 256 O ARG A 33 -6.016 33.325 6.506 1.00 0.00 ATOM 257 C ARG A 33 -7.005 32.781 6.016 1.00 0.00 ATOM 258 N LEU A 34 -7.138 31.440 6.023 1.00 0.00 ATOM 259 CA LEU A 34 -6.053 30.665 6.559 1.00 0.00 ATOM 260 CB LEU A 34 -6.570 29.664 7.594 1.00 0.00 ATOM 261 CG LEU A 34 -7.281 30.255 8.813 1.00 0.00 ATOM 262 CD1 LEU A 34 -7.816 29.150 9.712 1.00 0.00 ATOM 263 CD2 LEU A 34 -6.326 31.112 9.630 1.00 0.00 ATOM 264 O LEU A 34 -6.113 29.343 4.587 1.00 0.00 ATOM 265 C LEU A 34 -5.426 29.945 5.410 1.00 0.00 ATOM 266 N ALA A 35 -4.084 29.978 5.324 1.00 0.00 ATOM 267 CA ALA A 35 -3.471 29.397 4.169 1.00 0.00 ATOM 268 CB ALA A 35 -2.169 30.112 3.843 1.00 0.00 ATOM 269 O ALA A 35 -2.512 27.599 5.389 1.00 0.00 ATOM 270 C ALA A 35 -3.177 27.958 4.418 1.00 0.00 ATOM 271 N PHE A 36 -3.696 27.084 3.533 1.00 0.00 ATOM 272 CA PHE A 36 -3.336 25.707 3.654 1.00 0.00 ATOM 273 CB PHE A 36 -4.426 24.932 4.397 1.00 0.00 ATOM 274 CG PHE A 36 -5.737 24.877 3.666 1.00 0.00 ATOM 275 CD1 PHE A 36 -6.019 23.836 2.799 1.00 0.00 ATOM 276 CD2 PHE A 36 -6.687 25.867 3.845 1.00 0.00 ATOM 277 CE1 PHE A 36 -7.226 23.786 2.126 1.00 0.00 ATOM 278 CE2 PHE A 36 -7.893 25.817 3.172 1.00 0.00 ATOM 279 CZ PHE A 36 -8.165 24.782 2.316 1.00 0.00 ATOM 280 O PHE A 36 -3.716 25.710 1.303 1.00 0.00 ATOM 281 C PHE A 36 -3.176 25.169 2.266 1.00 0.00 ATOM 282 N PRO A 37 -2.422 24.114 2.143 1.00 0.00 ATOM 283 CA PRO A 37 -2.131 23.608 0.831 1.00 0.00 ATOM 284 CB PRO A 37 -1.067 22.536 1.075 1.00 0.00 ATOM 285 CG PRO A 37 -1.320 22.070 2.470 1.00 0.00 ATOM 286 CD PRO A 37 -1.780 23.279 3.236 1.00 0.00 ATOM 287 O PRO A 37 -4.225 22.527 0.694 1.00 0.00 ATOM 288 C PRO A 37 -3.269 23.004 0.088 1.00 0.00 ATOM 289 N ILE A 38 -3.178 23.077 -1.250 1.00 0.00 ATOM 290 CA ILE A 38 -4.161 22.569 -2.152 1.00 0.00 ATOM 291 CB ILE A 38 -3.853 22.970 -3.607 1.00 0.00 ATOM 292 CG1 ILE A 38 -4.001 24.482 -3.785 1.00 0.00 ATOM 293 CG2 ILE A 38 -4.810 22.276 -4.564 1.00 0.00 ATOM 294 CD1 ILE A 38 -3.464 24.997 -5.103 1.00 0.00 ATOM 295 O ILE A 38 -5.283 20.486 -2.066 1.00 0.00 ATOM 296 C ILE A 38 -4.202 21.070 -2.080 1.00 0.00 ATOM 297 N LYS A 39 -3.019 20.417 -2.104 1.00 0.00 ATOM 298 CA LYS A 39 -2.923 18.983 -2.127 1.00 0.00 ATOM 299 CB LYS A 39 -1.494 18.547 -2.457 1.00 0.00 ATOM 300 CG LYS A 39 -1.061 18.865 -3.879 1.00 0.00 ATOM 301 CD LYS A 39 0.356 18.383 -4.146 1.00 0.00 ATOM 302 CE LYS A 39 0.828 18.796 -5.531 1.00 0.00 ATOM 303 NZ LYS A 39 2.219 18.341 -5.801 1.00 0.00 ATOM 304 O LYS A 39 -4.287 17.651 -0.710 1.00 0.00 ATOM 305 C LYS A 39 -3.286 18.357 -0.817 1.00 0.00 ATOM 306 N ASP A 40 -2.486 18.640 0.232 1.00 0.00 ATOM 307 CA ASP A 40 -2.702 18.016 1.506 1.00 0.00 ATOM 308 CB ASP A 40 -1.542 18.322 2.456 1.00 0.00 ATOM 309 CG ASP A 40 -0.278 17.568 2.094 1.00 0.00 ATOM 310 OD1 ASP A 40 -0.360 16.632 1.272 1.00 0.00 ATOM 311 OD2 ASP A 40 0.794 17.913 2.633 1.00 0.00 ATOM 312 O ASP A 40 -4.770 17.791 2.644 1.00 0.00 ATOM 313 C ASP A 40 -3.967 18.540 2.090 1.00 0.00 ATOM 314 N GLY A 41 -4.186 19.857 1.958 1.00 0.00 ATOM 315 CA GLY A 41 -5.362 20.426 2.534 1.00 0.00 ATOM 316 O GLY A 41 -6.057 20.510 4.797 1.00 0.00 ATOM 317 C GLY A 41 -5.120 20.531 4.001 1.00 0.00 ATOM 318 N ILE A 42 -3.836 20.632 4.397 1.00 0.00 ATOM 319 CA ILE A 42 -3.539 20.727 5.794 1.00 0.00 ATOM 320 CB ILE A 42 -2.584 19.607 6.245 1.00 0.00 ATOM 321 CG1 ILE A 42 -3.221 18.236 6.009 1.00 0.00 ATOM 322 CG2 ILE A 42 -2.266 19.742 7.727 1.00 0.00 ATOM 323 CD1 ILE A 42 -2.269 17.077 6.211 1.00 0.00 ATOM 324 O ILE A 42 -2.004 22.477 5.303 1.00 0.00 ATOM 325 C ILE A 42 -2.895 22.051 6.036 1.00 0.00 ATOM 326 N PRO A 43 -3.383 22.745 7.025 1.00 0.00 ATOM 327 CA PRO A 43 -2.769 23.993 7.378 1.00 0.00 ATOM 328 CB PRO A 43 -3.737 24.608 8.391 1.00 0.00 ATOM 329 CG PRO A 43 -4.492 23.445 8.940 1.00 0.00 ATOM 330 CD PRO A 43 -4.619 22.460 7.812 1.00 0.00 ATOM 331 O PRO A 43 -0.542 24.595 7.849 1.00 0.00 ATOM 332 C PRO A 43 -1.425 23.747 7.971 1.00 0.00 ATOM 333 N MET A 44 -1.243 22.578 8.605 1.00 0.00 ATOM 334 CA MET A 44 0.027 22.297 9.192 1.00 0.00 ATOM 335 CB MET A 44 0.004 20.938 9.894 1.00 0.00 ATOM 336 CG MET A 44 -0.853 20.901 11.148 1.00 0.00 ATOM 337 SD MET A 44 -0.280 22.047 12.417 1.00 0.00 ATOM 338 CE MET A 44 1.264 21.275 12.897 1.00 0.00 ATOM 339 O MET A 44 2.080 22.812 8.119 1.00 0.00 ATOM 340 C MET A 44 0.962 22.305 8.042 1.00 0.00 ATOM 341 N MET A 45 0.481 21.755 6.917 1.00 0.00 ATOM 342 CA MET A 45 1.269 21.673 5.734 1.00 0.00 ATOM 343 CB MET A 45 0.507 20.932 4.633 1.00 0.00 ATOM 344 CG MET A 45 0.284 19.456 4.918 1.00 0.00 ATOM 345 SD MET A 45 1.826 18.536 5.075 1.00 0.00 ATOM 346 CE MET A 45 2.009 18.483 6.856 1.00 0.00 ATOM 347 O MET A 45 2.701 23.290 4.801 1.00 0.00 ATOM 348 C MET A 45 1.587 23.059 5.268 1.00 0.00 ATOM 349 N LEU A 46 0.640 24.026 5.367 1.00 0.00 ATOM 350 CA LEU A 46 1.038 25.331 4.931 1.00 0.00 ATOM 351 CB LEU A 46 -0.138 26.306 5.016 1.00 0.00 ATOM 352 CG LEU A 46 0.110 27.716 4.475 1.00 0.00 ATOM 353 CD1 LEU A 46 0.429 27.673 2.989 1.00 0.00 ATOM 354 CD2 LEU A 46 -1.118 28.591 4.673 1.00 0.00 ATOM 355 O LEU A 46 1.927 25.976 7.039 1.00 0.00 ATOM 356 C LEU A 46 2.142 25.749 5.850 1.00 0.00 ATOM 357 N GLU A 47 3.368 25.843 5.298 1.00 0.00 ATOM 358 CA GLU A 47 4.511 26.224 6.073 1.00 0.00 ATOM 359 CB GLU A 47 5.079 25.015 6.820 1.00 0.00 ATOM 360 CG GLU A 47 6.271 25.338 7.706 1.00 0.00 ATOM 361 CD GLU A 47 6.788 24.123 8.452 1.00 0.00 ATOM 362 OE1 GLU A 47 6.252 23.017 8.229 1.00 0.00 ATOM 363 OE2 GLU A 47 7.728 24.277 9.259 1.00 0.00 ATOM 364 O GLU A 47 5.506 26.458 3.934 1.00 0.00 ATOM 365 C GLU A 47 5.526 26.764 5.124 1.00 0.00 ATOM 366 N SER A 48 6.455 27.588 5.641 1.00 0.00 ATOM 367 CA SER A 48 7.474 28.154 4.809 1.00 0.00 ATOM 368 CB SER A 48 8.348 29.118 5.613 1.00 0.00 ATOM 369 OG SER A 48 7.606 30.249 6.036 1.00 0.00 ATOM 370 O SER A 48 8.740 27.043 3.137 1.00 0.00 ATOM 371 C SER A 48 8.304 27.028 4.287 1.00 0.00 ATOM 372 N GLU A 49 8.532 26.006 5.130 1.00 0.00 ATOM 373 CA GLU A 49 9.334 24.887 4.730 1.00 0.00 ATOM 374 CB GLU A 49 9.519 23.916 5.898 1.00 0.00 ATOM 375 CG GLU A 49 10.419 24.440 7.004 1.00 0.00 ATOM 376 CD GLU A 49 10.481 23.506 8.197 1.00 0.00 ATOM 377 OE1 GLU A 49 9.762 22.485 8.189 1.00 0.00 ATOM 378 OE2 GLU A 49 11.248 23.795 9.139 1.00 0.00 ATOM 379 O GLU A 49 9.276 23.723 2.665 1.00 0.00 ATOM 380 C GLU A 49 8.639 24.192 3.606 1.00 0.00 ATOM 381 N ALA A 50 7.298 24.133 3.673 1.00 0.00 ATOM 382 CA ALA A 50 6.531 23.445 2.679 1.00 0.00 ATOM 383 CB ALA A 50 5.048 23.524 3.005 1.00 0.00 ATOM 384 O ALA A 50 6.880 23.399 0.338 1.00 0.00 ATOM 385 C ALA A 50 6.783 24.086 1.354 1.00 0.00 ATOM 386 N ARG A 51 6.915 25.424 1.329 1.00 0.00 ATOM 387 CA ARG A 51 7.089 26.104 0.080 1.00 0.00 ATOM 388 CB ARG A 51 7.283 27.604 0.309 1.00 0.00 ATOM 389 CG ARG A 51 7.406 28.417 -0.970 1.00 0.00 ATOM 390 CD ARG A 51 7.592 29.895 -0.669 1.00 0.00 ATOM 391 NE ARG A 51 7.773 30.683 -1.886 1.00 0.00 ATOM 392 CZ ARG A 51 7.932 32.002 -1.905 1.00 0.00 ATOM 393 NH1 ARG A 51 8.090 32.634 -3.060 1.00 0.00 ATOM 394 NH2 ARG A 51 7.933 32.686 -0.769 1.00 0.00 ATOM 395 O ARG A 51 9.302 25.229 0.025 1.00 0.00 ATOM 396 C ARG A 51 8.295 25.548 -0.605 1.00 0.00 ATOM 397 N GLU A 52 8.197 25.415 -1.941 1.00 0.00 ATOM 398 CA GLU A 52 9.261 24.895 -2.748 1.00 0.00 ATOM 399 CB GLU A 52 10.554 25.674 -2.497 1.00 0.00 ATOM 400 CG GLU A 52 10.459 27.155 -2.825 1.00 0.00 ATOM 401 CD GLU A 52 11.776 27.880 -2.629 1.00 0.00 ATOM 402 OE1 GLU A 52 12.769 27.219 -2.258 1.00 0.00 ATOM 403 OE2 GLU A 52 11.816 29.110 -2.846 1.00 0.00 ATOM 404 O GLU A 52 10.532 22.898 -2.657 1.00 0.00 ATOM 405 C GLU A 52 9.470 23.459 -2.393 1.00 0.00 ATOM 406 N LEU A 53 8.447 22.810 -1.805 1.00 0.00 ATOM 407 CA LEU A 53 8.605 21.427 -1.468 1.00 0.00 ATOM 408 CB LEU A 53 8.919 21.271 0.021 1.00 0.00 ATOM 409 CG LEU A 53 10.205 21.936 0.516 1.00 0.00 ATOM 410 CD1 LEU A 53 10.243 21.967 2.037 1.00 0.00 ATOM 411 CD2 LEU A 53 11.427 21.175 0.025 1.00 0.00 ATOM 412 O LEU A 53 6.355 21.409 -2.218 1.00 0.00 ATOM 413 C LEU A 53 7.310 20.756 -1.802 1.00 0.00 ATOM 414 N ALA A 54 7.253 19.419 -1.644 1.00 0.00 ATOM 415 CA ALA A 54 6.054 18.690 -1.946 1.00 0.00 ATOM 416 CB ALA A 54 6.364 17.515 -2.861 1.00 0.00 ATOM 417 O ALA A 54 6.183 18.161 0.366 1.00 0.00 ATOM 418 C ALA A 54 5.494 18.198 -0.650 1.00 0.00 ATOM 419 N PRO A 55 4.236 17.849 -0.654 1.00 0.00 ATOM 420 CA PRO A 55 3.622 17.376 0.552 1.00 0.00 ATOM 421 CB PRO A 55 2.168 17.119 0.151 1.00 0.00 ATOM 422 CG PRO A 55 1.928 18.041 -0.997 1.00 0.00 ATOM 423 CD PRO A 55 3.211 18.075 -1.779 1.00 0.00 ATOM 424 O PRO A 55 4.281 15.876 2.235 1.00 0.00 ATOM 425 C PRO A 55 4.289 16.129 1.031 1.00 0.00 ATOM 426 N GLU A 56 4.836 15.317 0.109 1.00 0.00 ATOM 427 CA GLU A 56 5.528 14.124 0.498 1.00 0.00 ATOM 428 CB GLU A 56 5.866 13.276 -0.730 1.00 0.00 ATOM 429 CG GLU A 56 4.658 12.635 -1.393 1.00 0.00 ATOM 430 CD GLU A 56 5.012 11.922 -2.683 1.00 0.00 ATOM 431 OE1 GLU A 56 6.189 11.989 -3.096 1.00 0.00 ATOM 432 OE2 GLU A 56 4.112 11.296 -3.282 1.00 0.00 ATOM 433 O GLU A 56 7.091 14.032 2.289 1.00 0.00 ATOM 434 C GLU A 56 6.792 14.511 1.197 1.00 0.00 ATOM 435 N GLU A 57 7.560 15.425 0.582 1.00 0.00 ATOM 436 CA GLU A 57 8.822 15.834 1.124 1.00 0.00 ATOM 437 CB GLU A 57 9.553 16.754 0.144 1.00 0.00 ATOM 438 CG GLU A 57 10.057 16.054 -1.107 1.00 0.00 ATOM 439 CD GLU A 57 10.665 17.016 -2.108 1.00 0.00 ATOM 440 OE1 GLU A 57 10.628 18.238 -1.856 1.00 0.00 ATOM 441 OE2 GLU A 57 11.180 16.547 -3.145 1.00 0.00 ATOM 442 O GLU A 57 9.361 16.393 3.360 1.00 0.00 ATOM 443 C GLU A 57 8.606 16.569 2.405 1.00 0.00 ATOM 444 N GLU A 58 7.555 17.405 2.469 1.00 0.00 ATOM 445 CA GLU A 58 7.364 18.216 3.634 1.00 0.00 ATOM 446 CB GLU A 58 6.130 19.106 3.471 1.00 0.00 ATOM 447 CG GLU A 58 5.874 20.033 4.648 1.00 0.00 ATOM 448 CD GLU A 58 6.952 21.087 4.805 1.00 0.00 ATOM 449 OE1 GLU A 58 7.783 21.230 3.883 1.00 0.00 ATOM 450 OE2 GLU A 58 6.968 21.770 5.850 1.00 0.00 ATOM 451 O GLU A 58 7.769 17.587 5.874 1.00 0.00 ATOM 452 C GLU A 58 7.174 17.342 4.827 1.00 0.00 ATOM 453 N VAL A 59 6.362 16.279 4.697 1.00 0.00 ATOM 454 CA VAL A 59 6.068 15.485 5.853 1.00 0.00 ATOM 455 CB VAL A 59 5.120 14.320 5.512 1.00 0.00 ATOM 456 CG1 VAL A 59 4.981 13.381 6.700 1.00 0.00 ATOM 457 CG2 VAL A 59 3.739 14.846 5.150 1.00 0.00 ATOM 458 O VAL A 59 7.560 14.928 7.604 1.00 0.00 ATOM 459 C VAL A 59 7.342 14.922 6.395 1.00 0.00 ATOM 460 N LYS A 60 8.241 14.448 5.514 1.00 0.00 ATOM 461 CA LYS A 60 9.451 13.850 5.996 1.00 0.00 ATOM 462 CB LYS A 60 10.308 13.359 4.828 1.00 0.00 ATOM 463 CG LYS A 60 9.738 12.150 4.104 1.00 0.00 ATOM 464 CD LYS A 60 10.639 11.715 2.960 1.00 0.00 ATOM 465 CE LYS A 60 10.056 10.521 2.221 1.00 0.00 ATOM 466 NZ LYS A 60 10.912 10.105 1.076 1.00 0.00 ATOM 467 O LYS A 60 10.810 14.560 7.800 1.00 0.00 ATOM 468 C LYS A 60 10.210 14.872 6.772 1.00 0.00 ATOM 469 N LEU A 61 10.195 16.130 6.302 1.00 0.00 ATOM 470 CA LEU A 61 10.942 17.162 6.957 1.00 0.00 ATOM 471 CB LEU A 61 10.819 18.481 6.191 1.00 0.00 ATOM 472 CG LEU A 61 11.583 19.674 6.769 1.00 0.00 ATOM 473 CD1 LEU A 61 13.078 19.394 6.795 1.00 0.00 ATOM 474 CD2 LEU A 61 11.348 20.920 5.929 1.00 0.00 ATOM 475 O LEU A 61 11.176 17.560 9.280 1.00 0.00 ATOM 476 C LEU A 61 10.409 17.348 8.342 1.00 0.00 ATOM 477 N GLU A 62 9.076 17.274 8.517 1.00 0.00 ATOM 478 CA GLU A 62 8.532 17.483 9.826 1.00 0.00 ATOM 479 CB GLU A 62 7.003 17.441 9.784 1.00 0.00 ATOM 480 CG GLU A 62 6.368 18.638 9.094 1.00 0.00 ATOM 481 CD GLU A 62 4.864 18.504 8.962 1.00 0.00 ATOM 482 OE1 GLU A 62 4.327 17.443 9.343 1.00 0.00 ATOM 483 OE2 GLU A 62 4.223 19.460 8.478 1.00 0.00 ATOM 484 O GLU A 62 9.346 16.686 11.898 1.00 0.00 ATOM 485 C GLU A 62 9.022 16.412 10.744 1.00 0.00 ATOM 486 N HIS A 63 9.095 15.155 10.278 1.00 0.00 ATOM 487 CA HIS A 63 9.521 14.139 11.195 1.00 0.00 ATOM 488 CB HIS A 63 9.507 12.767 10.519 1.00 0.00 ATOM 489 CG HIS A 63 8.132 12.220 10.289 1.00 0.00 ATOM 490 CD2 HIS A 63 7.331 11.880 9.122 1.00 0.00 ATOM 491 ND1 HIS A 63 7.275 11.904 11.321 1.00 0.00 ATOM 492 CE1 HIS A 63 6.123 11.439 10.806 1.00 0.00 ATOM 493 NE2 HIS A 63 6.149 11.422 9.488 1.00 0.00 ATOM 494 O HIS A 63 11.178 14.500 12.855 1.00 0.00 ATOM 495 C HIS A 63 10.913 14.445 11.655 1.00 0.00 ATOM 496 N HIS A 64 11.844 14.662 10.705 1.00 0.00 ATOM 497 CA HIS A 64 13.213 14.880 11.079 1.00 0.00 ATOM 498 CB HIS A 64 14.106 14.934 9.837 1.00 0.00 ATOM 499 CG HIS A 64 15.549 15.190 10.142 1.00 0.00 ATOM 500 CD2 HIS A 64 16.462 16.312 9.977 1.00 0.00 ATOM 501 ND1 HIS A 64 16.367 14.244 10.720 1.00 0.00 ATOM 502 CE1 HIS A 64 17.599 14.762 10.868 1.00 0.00 ATOM 503 NE2 HIS A 64 17.663 16.003 10.424 1.00 0.00 ATOM 504 O HIS A 64 13.881 16.185 12.943 1.00 0.00 ATOM 505 C HIS A 64 13.377 16.169 11.822 1.00 0.00 ATOM 506 N HIS A 65 12.924 17.287 11.224 1.00 0.00 ATOM 507 CA HIS A 65 13.139 18.573 11.826 1.00 0.00 ATOM 508 CB HIS A 65 12.660 19.688 10.894 1.00 0.00 ATOM 509 CG HIS A 65 12.880 21.065 11.437 1.00 0.00 ATOM 510 CD2 HIS A 65 12.026 22.135 11.933 1.00 0.00 ATOM 511 ND1 HIS A 65 14.134 21.621 11.571 1.00 0.00 ATOM 512 CE1 HIS A 65 14.012 22.859 12.082 1.00 0.00 ATOM 513 NE2 HIS A 65 12.750 23.174 12.302 1.00 0.00 ATOM 514 O HIS A 65 12.898 19.105 14.124 1.00 0.00 ATOM 515 C HIS A 65 12.384 18.652 13.103 1.00 0.00 ATOM 516 N HIS A 66 11.131 18.178 13.075 1.00 0.00 ATOM 517 CA HIS A 66 10.297 18.238 14.229 1.00 0.00 ATOM 518 CB HIS A 66 8.849 18.529 13.829 1.00 0.00 ATOM 519 CG HIS A 66 8.662 19.855 13.160 1.00 0.00 ATOM 520 CD2 HIS A 66 8.340 20.301 11.812 1.00 0.00 ATOM 521 ND1 HIS A 66 8.787 21.052 13.831 1.00 0.00 ATOM 522 CE1 HIS A 66 8.564 22.061 12.970 1.00 0.00 ATOM 523 NE2 HIS A 66 8.295 21.618 11.757 1.00 0.00 ATOM 524 O HIS A 66 11.381 16.193 14.751 1.00 0.00 ATOM 525 C HIS A 66 10.394 16.911 14.895 1.00 0.00 ATOM 526 N HIS A 67 9.359 16.573 15.677 1.00 0.00 ATOM 527 CA HIS A 67 9.354 15.361 16.433 1.00 0.00 ATOM 528 CB HIS A 67 8.282 15.414 17.523 1.00 0.00 ATOM 529 CG HIS A 67 8.562 16.419 18.597 1.00 0.00 ATOM 530 CD2 HIS A 67 8.104 17.767 18.902 1.00 0.00 ATOM 531 ND1 HIS A 67 9.441 16.179 19.631 1.00 0.00 ATOM 532 CE1 HIS A 67 9.482 17.260 20.431 1.00 0.00 ATOM 533 NE2 HIS A 67 8.682 18.216 19.999 1.00 0.00 ATOM 534 O HIS A 67 8.433 14.352 14.483 1.00 0.00 ATOM 535 C HIS A 67 9.067 14.207 15.529 1.00 0.00 ATOM 536 N HIS A 68 9.572 13.020 15.919 1.00 0.00 ATOM 537 CA HIS A 68 9.360 11.821 15.166 1.00 0.00 ATOM 538 CB HIS A 68 10.442 10.788 15.487 1.00 0.00 ATOM 539 CG HIS A 68 11.827 11.234 15.134 1.00 0.00 ATOM 540 CD2 HIS A 68 13.033 11.564 15.879 1.00 0.00 ATOM 541 ND1 HIS A 68 12.236 11.432 13.833 1.00 0.00 ATOM 542 CE1 HIS A 68 13.521 11.828 13.834 1.00 0.00 ATOM 543 NE2 HIS A 68 14.006 11.909 15.058 1.00 0.00 ATOM 544 O HIS A 68 7.785 10.991 16.764 1.00 0.00 ATOM 545 C HIS A 68 7.988 11.280 15.554 1.00 0.00 ENDMDL