EXPDTA T0348TS091_3-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0348TS091_3-scwrl ATOM 1 N MET A 1 -0.399 1.046 -0.937 1.00 0.00 ATOM 2 CA MET A 1 0.000 0.000 0.000 1.00 0.00 ATOM 3 CB MET A 1 -0.679 -1.324 -0.354 1.00 0.00 ATOM 4 CG MET A 1 -2.188 -1.316 -0.174 1.00 0.00 ATOM 5 SD MET A 1 -2.683 -1.038 1.538 1.00 0.00 ATOM 6 CE MET A 1 -2.169 -2.579 2.293 1.00 0.00 ATOM 7 O MET A 1 1.647 -0.597 -0.174 1.00 0.00 ATOM 8 C MET A 1 1.425 -0.186 -0.048 1.00 0.00 ATOM 9 N ASP A 2 2.392 0.121 0.044 1.00 0.00 ATOM 10 CA ASP A 2 3.800 0.000 0.000 1.00 0.00 ATOM 11 CB ASP A 2 4.257 -0.441 -1.392 1.00 0.00 ATOM 12 CG ASP A 2 5.729 -0.801 -1.435 1.00 0.00 ATOM 13 OD1 ASP A 2 6.395 -0.703 -0.384 1.00 0.00 ATOM 14 OD2 ASP A 2 6.216 -1.180 -2.521 1.00 0.00 ATOM 15 O ASP A 2 5.692 0.821 0.825 1.00 0.00 ATOM 16 C ASP A 2 4.823 1.066 0.253 1.00 0.00 ATOM 17 N ALA A 3 4.741 2.235 -0.176 1.00 0.00 ATOM 18 CA ALA A 3 5.700 3.291 0.000 1.00 0.00 ATOM 19 CB ALA A 3 6.984 2.972 -0.751 1.00 0.00 ATOM 20 O ALA A 3 4.813 4.908 -1.499 1.00 0.00 ATOM 21 C ALA A 3 5.384 4.707 -0.449 1.00 0.00 ATOM 22 N LYS A 4 5.786 5.677 0.353 1.00 0.00 ATOM 23 CA LYS A 4 5.703 7.091 0.000 1.00 0.00 ATOM 24 CB LYS A 4 5.218 7.914 1.195 1.00 0.00 ATOM 25 CG LYS A 4 5.065 9.398 0.905 1.00 0.00 ATOM 26 CD LYS A 4 4.505 10.141 2.108 1.00 0.00 ATOM 27 CE LYS A 4 4.285 11.612 1.795 1.00 0.00 ATOM 28 NZ LYS A 4 3.717 12.348 2.958 1.00 0.00 ATOM 29 O LYS A 4 7.369 8.186 -1.325 1.00 0.00 ATOM 30 C LYS A 4 7.139 7.426 -0.389 1.00 0.00 ATOM 31 N PHE A 5 8.107 6.857 0.320 1.00 0.00 ATOM 32 CA PHE A 5 9.503 7.091 0.000 1.00 0.00 ATOM 33 CB PHE A 5 10.408 6.471 1.066 1.00 0.00 ATOM 34 CG PHE A 5 11.874 6.684 0.816 1.00 0.00 ATOM 35 CD1 PHE A 5 12.468 7.904 1.092 1.00 0.00 ATOM 36 CD2 PHE A 5 12.659 5.666 0.304 1.00 0.00 ATOM 37 CE1 PHE A 5 13.816 8.100 0.861 1.00 0.00 ATOM 38 CE2 PHE A 5 14.007 5.862 0.074 1.00 0.00 ATOM 39 CZ PHE A 5 14.586 7.073 0.350 1.00 0.00 ATOM 40 O PHE A 5 10.599 7.037 -2.127 1.00 0.00 ATOM 41 C PHE A 5 9.839 6.467 -1.350 1.00 0.00 ATOM 42 N LEU A 6 9.271 5.302 -1.637 1.00 0.00 ATOM 43 CA LEU A 6 9.506 4.650 -2.913 1.00 0.00 ATOM 44 CB LEU A 6 8.886 3.251 -2.922 1.00 0.00 ATOM 45 CG LEU A 6 9.081 2.432 -4.199 1.00 0.00 ATOM 46 CD1 LEU A 6 10.560 2.203 -4.471 1.00 0.00 ATOM 47 CD2 LEU A 6 8.404 1.075 -4.076 1.00 0.00 ATOM 48 O LEU A 6 9.452 5.577 -5.119 1.00 0.00 ATOM 49 C LEU A 6 8.882 5.469 -4.038 1.00 0.00 ATOM 50 N GLU A 7 7.716 6.053 -3.787 1.00 0.00 ATOM 51 CA GLU A 7 7.064 6.879 -4.786 1.00 0.00 ATOM 52 CB GLU A 7 5.665 7.283 -4.317 1.00 0.00 ATOM 53 CG GLU A 7 4.667 6.136 -4.281 1.00 0.00 ATOM 54 CD GLU A 7 3.330 6.546 -3.697 1.00 0.00 ATOM 55 OE1 GLU A 7 3.206 7.707 -3.253 1.00 0.00 ATOM 56 OE2 GLU A 7 2.406 5.705 -3.682 1.00 0.00 ATOM 57 O GLU A 7 7.990 8.606 -6.162 1.00 0.00 ATOM 58 C GLU A 7 7.882 8.143 -5.030 1.00 0.00 ATOM 59 N ILE A 8 8.465 8.700 -3.975 1.00 0.00 ATOM 60 CA ILE A 8 9.291 9.885 -4.117 1.00 0.00 ATOM 61 CB ILE A 8 9.711 10.448 -2.746 1.00 0.00 ATOM 62 CG1 ILE A 8 8.494 10.997 -2.000 1.00 0.00 ATOM 63 CG2 ILE A 8 10.719 11.574 -2.919 1.00 0.00 ATOM 64 CD1 ILE A 8 8.766 11.328 -0.548 1.00 0.00 ATOM 65 O ILE A 8 11.017 10.346 -5.710 1.00 0.00 ATOM 66 C ILE A 8 10.555 9.547 -4.901 1.00 0.00 ATOM 67 N LEU A 9 11.112 8.364 -4.670 1.00 0.00 ATOM 68 CA LEU A 9 12.297 7.944 -5.394 1.00 0.00 ATOM 69 CB LEU A 9 12.835 6.630 -4.825 1.00 0.00 ATOM 70 CG LEU A 9 13.441 6.697 -3.421 1.00 0.00 ATOM 71 CD1 LEU A 9 13.769 5.302 -2.910 1.00 0.00 ATOM 72 CD2 LEU A 9 14.723 7.515 -3.427 1.00 0.00 ATOM 73 O LEU A 9 12.758 8.063 -7.740 1.00 0.00 ATOM 74 C LEU A 9 11.959 7.738 -6.867 1.00 0.00 ATOM 75 N VAL A 10 10.775 7.205 -7.148 1.00 0.00 ATOM 76 CA VAL A 10 10.355 7.004 -8.521 1.00 0.00 ATOM 77 CB VAL A 10 9.289 5.898 -8.629 1.00 0.00 ATOM 78 CG1 VAL A 10 9.836 4.578 -8.105 1.00 0.00 ATOM 79 CG2 VAL A 10 8.057 6.264 -7.816 1.00 0.00 ATOM 80 O VAL A 10 9.128 8.192 -9.960 1.00 0.00 ATOM 81 C VAL A 10 9.764 8.258 -9.099 1.00 0.00 ATOM 82 N CYS A 11 9.974 9.399 -8.641 1.00 0.00 ATOM 83 CA CYS A 11 9.465 10.650 -9.118 1.00 0.00 ATOM 84 CB CYS A 11 9.119 11.570 -7.945 1.00 0.00 ATOM 85 SG CYS A 11 8.446 13.177 -8.430 1.00 0.00 ATOM 86 O CYS A 11 11.483 11.373 -9.507 1.00 0.00 ATOM 87 C CYS A 11 10.595 11.185 -9.940 1.00 0.00 ATOM 88 N PRO A 12 10.567 11.418 -11.134 1.00 0.00 ATOM 89 CA PRO A 12 11.605 11.808 -12.037 1.00 0.00 ATOM 90 CB PRO A 12 10.904 11.887 -13.395 1.00 0.00 ATOM 91 CG PRO A 12 9.475 12.158 -13.062 1.00 0.00 ATOM 92 CD PRO A 12 9.192 11.403 -11.794 1.00 0.00 ATOM 93 O PRO A 12 13.289 13.304 -12.517 1.00 0.00 ATOM 94 C PRO A 12 12.361 13.104 -11.866 1.00 0.00 ATOM 95 N LEU A 13 11.978 13.989 -11.010 1.00 0.00 ATOM 96 CA LEU A 13 12.598 15.284 -10.866 1.00 0.00 ATOM 97 CB LEU A 13 11.548 16.348 -10.541 1.00 0.00 ATOM 98 CG LEU A 13 10.420 16.522 -11.561 1.00 0.00 ATOM 99 CD1 LEU A 13 9.429 17.575 -11.091 1.00 0.00 ATOM 100 CD2 LEU A 13 10.976 16.958 -12.907 1.00 0.00 ATOM 101 O LEU A 13 13.435 15.823 -8.892 1.00 0.00 ATOM 102 C LEU A 13 13.613 15.298 -9.769 1.00 0.00 ATOM 103 N CYS A 14 14.689 14.705 -9.808 1.00 0.00 ATOM 104 CA CYS A 14 15.733 14.615 -8.825 1.00 0.00 ATOM 105 CB CYS A 14 15.803 15.900 -7.998 1.00 0.00 ATOM 106 SG CYS A 14 16.226 17.379 -8.950 1.00 0.00 ATOM 107 O CYS A 14 16.490 13.744 -6.905 1.00 0.00 ATOM 108 C CYS A 14 15.813 13.588 -7.732 1.00 0.00 ATOM 109 N LYS A 15 15.141 12.531 -7.728 1.00 0.00 ATOM 110 CA LYS A 15 15.167 11.492 -6.737 1.00 0.00 ATOM 111 CB LYS A 15 13.780 10.865 -6.582 1.00 0.00 ATOM 112 CG LYS A 15 12.785 11.736 -5.833 1.00 0.00 ATOM 113 CD LYS A 15 12.155 12.769 -6.753 1.00 0.00 ATOM 114 CE LYS A 15 11.431 13.846 -5.961 1.00 0.00 ATOM 115 NZ LYS A 15 10.881 14.911 -6.844 1.00 0.00 ATOM 116 O LYS A 15 16.262 9.575 -6.121 1.00 0.00 ATOM 117 C LYS A 15 16.089 10.319 -6.969 1.00 0.00 ATOM 118 N GLY A 16 16.674 10.142 -8.096 1.00 0.00 ATOM 119 CA GLY A 16 17.558 9.037 -8.381 1.00 0.00 ATOM 120 O GLY A 16 19.328 7.598 -8.277 1.00 0.00 ATOM 121 C GLY A 16 18.873 8.542 -7.836 1.00 0.00 ATOM 122 N PRO A 17 19.478 9.158 -6.895 1.00 0.00 ATOM 123 CA PRO A 17 20.733 8.721 -6.320 1.00 0.00 ATOM 124 CB PRO A 17 20.772 7.220 -6.614 1.00 0.00 ATOM 125 CG PRO A 17 19.951 7.059 -7.849 1.00 0.00 ATOM 126 CD PRO A 17 18.865 8.095 -7.765 1.00 0.00 ATOM 127 O PRO A 17 22.782 8.412 -7.146 1.00 0.00 ATOM 128 C PRO A 17 22.218 8.893 -6.357 1.00 0.00 ATOM 129 N LEU A 18 22.835 9.582 -5.508 1.00 0.00 ATOM 130 CA LEU A 18 24.270 9.751 -5.384 1.00 0.00 ATOM 131 CB LEU A 18 24.772 10.810 -6.367 1.00 0.00 ATOM 132 CG LEU A 18 26.287 11.011 -6.432 1.00 0.00 ATOM 133 CD1 LEU A 18 26.976 9.749 -6.929 1.00 0.00 ATOM 134 CD2 LEU A 18 26.638 12.149 -7.379 1.00 0.00 ATOM 135 O LEU A 18 23.416 11.185 -3.770 1.00 0.00 ATOM 136 C LEU A 18 23.729 10.095 -4.020 1.00 0.00 ATOM 137 N VAL A 19 23.623 9.144 -3.144 1.00 0.00 ATOM 138 CA VAL A 19 23.086 9.339 -1.797 1.00 0.00 ATOM 139 CB VAL A 19 22.708 7.998 -1.141 1.00 0.00 ATOM 140 CG1 VAL A 19 22.239 8.219 0.289 1.00 0.00 ATOM 141 CG2 VAL A 19 21.587 7.323 -1.916 1.00 0.00 ATOM 142 O VAL A 19 25.030 9.588 -0.501 1.00 0.00 ATOM 143 C VAL A 19 23.943 10.004 -0.741 1.00 0.00 ATOM 144 N PHE A 20 23.450 11.042 -0.123 1.00 0.00 ATOM 145 CA PHE A 20 24.142 11.745 0.947 1.00 0.00 ATOM 146 CB PHE A 20 24.508 13.164 0.507 1.00 0.00 ATOM 147 CG PHE A 20 25.288 13.935 1.533 1.00 0.00 ATOM 148 CD1 PHE A 20 26.629 13.667 1.749 1.00 0.00 ATOM 149 CD2 PHE A 20 24.681 14.927 2.283 1.00 0.00 ATOM 150 CE1 PHE A 20 27.346 14.376 2.694 1.00 0.00 ATOM 151 CE2 PHE A 20 25.399 15.637 3.227 1.00 0.00 ATOM 152 CZ PHE A 20 26.726 15.365 3.434 1.00 0.00 ATOM 153 O PHE A 20 22.115 12.273 2.011 1.00 0.00 ATOM 154 C PHE A 20 23.194 11.789 2.126 1.00 0.00 ATOM 155 N ASP A 21 23.600 11.272 3.253 1.00 0.00 ATOM 156 CA ASP A 21 22.813 11.291 4.479 1.00 0.00 ATOM 157 CB ASP A 21 22.445 9.867 4.901 1.00 0.00 ATOM 158 CG ASP A 21 21.527 9.184 3.907 1.00 0.00 ATOM 159 OD1 ASP A 21 20.448 9.740 3.614 1.00 0.00 ATOM 160 OD2 ASP A 21 21.887 8.091 3.420 1.00 0.00 ATOM 161 O ASP A 21 24.785 11.525 5.775 1.00 0.00 ATOM 162 C ASP A 21 23.674 11.950 5.540 1.00 0.00 ATOM 163 N LYS A 22 23.162 12.991 6.166 1.00 0.00 ATOM 164 CA LYS A 22 23.860 13.689 7.235 1.00 0.00 ATOM 165 CB LYS A 22 23.967 15.182 6.919 1.00 0.00 ATOM 166 CG LYS A 22 24.804 15.969 7.915 1.00 0.00 ATOM 167 CD LYS A 22 24.834 17.447 7.565 1.00 0.00 ATOM 168 CE LYS A 22 25.584 18.249 8.617 1.00 0.00 ATOM 169 NZ LYS A 22 25.532 19.711 8.342 1.00 0.00 ATOM 170 O LYS A 22 22.144 13.284 8.283 1.00 0.00 ATOM 171 C LYS A 22 22.991 13.413 8.397 1.00 0.00 ATOM 172 N SER A 23 23.206 13.314 9.516 1.00 0.00 ATOM 173 CA SER A 23 22.492 13.168 10.742 1.00 0.00 ATOM 174 CB SER A 23 21.634 14.406 11.013 1.00 0.00 ATOM 175 OG SER A 23 22.441 15.558 11.183 1.00 0.00 ATOM 176 O SER A 23 21.042 12.017 11.456 1.00 0.00 ATOM 177 C SER A 23 21.557 12.037 10.862 1.00 0.00 ATOM 178 N LYS A 24 21.347 11.090 10.296 1.00 0.00 ATOM 179 CA LYS A 24 20.526 9.937 10.368 1.00 0.00 ATOM 180 CB LYS A 24 20.251 9.565 11.826 1.00 0.00 ATOM 181 CG LYS A 24 19.419 8.305 11.999 1.00 0.00 ATOM 182 CD LYS A 24 20.208 7.065 11.613 1.00 0.00 ATOM 183 CE LYS A 24 19.414 5.798 11.888 1.00 0.00 ATOM 184 NZ LYS A 24 20.169 4.574 11.498 1.00 0.00 ATOM 185 O LYS A 24 18.928 9.496 8.696 1.00 0.00 ATOM 186 C LYS A 24 19.174 10.105 9.699 1.00 0.00 ATOM 187 N ASP A 25 18.289 10.913 10.236 1.00 0.00 ATOM 188 CA ASP A 25 16.962 11.058 9.675 1.00 0.00 ATOM 189 CB ASP A 25 16.013 11.686 10.698 1.00 0.00 ATOM 190 CG ASP A 25 14.556 11.404 10.391 1.00 0.00 ATOM 191 OD1 ASP A 25 14.200 10.216 10.242 1.00 0.00 ATOM 192 OD2 ASP A 25 13.770 12.370 10.300 1.00 0.00 ATOM 193 O ASP A 25 15.860 12.399 8.168 1.00 0.00 ATOM 194 C ASP A 25 16.866 11.923 8.444 1.00 0.00 ATOM 195 N GLU A 26 17.900 12.128 7.701 1.00 0.00 ATOM 196 CA GLU A 26 17.900 12.953 6.517 1.00 0.00 ATOM 197 CB GLU A 26 19.117 13.880 6.510 1.00 0.00 ATOM 198 CG GLU A 26 19.116 14.914 7.625 1.00 0.00 ATOM 199 CD GLU A 26 20.293 15.866 7.538 1.00 0.00 ATOM 200 OE1 GLU A 26 21.137 15.685 6.635 1.00 0.00 ATOM 201 OE2 GLU A 26 20.370 16.792 8.372 1.00 0.00 ATOM 202 O GLU A 26 18.565 11.173 5.111 1.00 0.00 ATOM 203 C GLU A 26 17.945 12.200 5.203 1.00 0.00 ATOM 204 N LEU A 27 17.286 12.718 4.192 1.00 0.00 ATOM 205 CA LEU A 27 17.308 12.141 2.853 1.00 0.00 ATOM 206 CB LEU A 27 15.886 12.002 2.306 1.00 0.00 ATOM 207 CG LEU A 27 15.758 11.463 0.880 1.00 0.00 ATOM 208 CD1 LEU A 27 16.222 10.016 0.808 1.00 0.00 ATOM 209 CD2 LEU A 27 14.312 11.522 0.411 1.00 0.00 ATOM 210 O LEU A 27 17.834 14.123 1.706 1.00 0.00 ATOM 211 C LEU A 27 18.085 12.971 1.853 1.00 0.00 ATOM 212 N ILE A 28 19.032 12.379 1.178 1.00 0.00 ATOM 213 CA ILE A 28 19.822 13.042 0.151 1.00 0.00 ATOM 214 CB ILE A 28 21.300 13.161 0.565 1.00 0.00 ATOM 215 CG1 ILE A 28 21.429 13.972 1.856 1.00 0.00 ATOM 216 CG2 ILE A 28 22.104 13.856 -0.523 1.00 0.00 ATOM 217 CD1 ILE A 28 21.035 15.425 1.706 1.00 0.00 ATOM 218 O ILE A 28 19.986 11.025 -1.085 1.00 0.00 ATOM 219 C ILE A 28 19.711 12.205 -1.109 1.00 0.00 ATOM 220 N CYS A 29 19.296 12.817 -2.200 1.00 0.00 ATOM 221 CA CYS A 29 19.186 12.146 -3.487 1.00 0.00 ATOM 222 CB CYS A 29 17.720 12.040 -3.912 1.00 0.00 ATOM 223 SG CYS A 29 16.667 11.146 -2.746 1.00 0.00 ATOM 224 O CYS A 29 19.697 14.125 -4.646 1.00 0.00 ATOM 225 C CYS A 29 19.962 12.977 -4.486 1.00 0.00 ATOM 226 N LYS A 30 20.925 12.393 -5.146 1.00 0.00 ATOM 227 CA LYS A 30 21.717 13.058 -6.172 1.00 0.00 ATOM 228 CB LYS A 30 23.181 13.157 -5.739 1.00 0.00 ATOM 229 CG LYS A 30 23.412 14.056 -4.535 1.00 0.00 ATOM 230 CD LYS A 30 24.893 14.179 -4.214 1.00 0.00 ATOM 231 CE LYS A 30 25.122 15.046 -2.987 1.00 0.00 ATOM 232 NZ LYS A 30 26.570 15.197 -2.676 1.00 0.00 ATOM 233 O LYS A 30 21.828 11.075 -7.420 1.00 0.00 ATOM 234 C LYS A 30 21.609 12.235 -7.440 1.00 0.00 ATOM 235 N GLY A 31 21.267 12.845 -8.538 1.00 0.00 ATOM 236 CA GLY A 31 21.158 12.199 -9.831 1.00 0.00 ATOM 237 O GLY A 31 21.966 14.357 -10.403 1.00 0.00 ATOM 238 C GLY A 31 22.139 13.161 -10.482 1.00 0.00 ATOM 239 N ASP A 32 23.174 12.647 -11.119 1.00 0.00 ATOM 240 CA ASP A 32 24.147 13.490 -11.791 1.00 0.00 ATOM 241 CB ASP A 32 25.427 12.704 -12.082 1.00 0.00 ATOM 242 CG ASP A 32 26.515 13.567 -12.690 1.00 0.00 ATOM 243 OD1 ASP A 32 26.251 14.759 -12.952 1.00 0.00 ATOM 244 OD2 ASP A 32 27.632 13.050 -12.905 1.00 0.00 ATOM 245 O ASP A 32 23.313 13.412 -13.372 1.00 0.00 ATOM 246 C ASP A 32 23.540 13.910 -12.988 1.00 0.00 ATOM 247 N ARG A 33 23.348 14.861 -13.499 1.00 0.00 ATOM 248 CA ARG A 33 23.028 16.267 -14.130 1.00 0.00 ATOM 249 CB ARG A 33 22.038 16.122 -15.288 1.00 0.00 ATOM 250 CG ARG A 33 20.654 15.657 -14.866 1.00 0.00 ATOM 251 CD ARG A 33 19.741 15.478 -16.068 1.00 0.00 ATOM 252 NE ARG A 33 18.399 15.054 -15.678 1.00 0.00 ATOM 253 CZ ARG A 33 17.423 14.779 -16.538 1.00 0.00 ATOM 254 NH1 ARG A 33 16.233 14.400 -16.091 1.00 0.00 ATOM 255 NH2 ARG A 33 17.639 14.884 -17.842 1.00 0.00 ATOM 256 O ARG A 33 22.183 18.090 -12.995 1.00 0.00 ATOM 257 C ARG A 33 22.447 16.981 -12.927 1.00 0.00 ATOM 258 N LEU A 34 22.246 16.343 -11.839 1.00 0.00 ATOM 259 CA LEU A 34 21.711 16.887 -10.619 1.00 0.00 ATOM 260 CB LEU A 34 20.222 16.559 -10.494 1.00 0.00 ATOM 261 CG LEU A 34 19.311 17.112 -11.592 1.00 0.00 ATOM 262 CD1 LEU A 34 17.933 16.473 -11.520 1.00 0.00 ATOM 263 CD2 LEU A 34 19.146 18.617 -11.446 1.00 0.00 ATOM 264 O LEU A 34 22.804 15.934 -8.757 1.00 0.00 ATOM 265 C LEU A 34 21.990 16.717 -9.142 1.00 0.00 ATOM 266 N ALA A 35 21.298 17.471 -8.325 1.00 0.00 ATOM 267 CA ALA A 35 21.296 17.362 -6.872 1.00 0.00 ATOM 268 CB ALA A 35 22.028 18.542 -6.251 1.00 0.00 ATOM 269 O ALA A 35 19.130 18.230 -6.597 1.00 0.00 ATOM 270 C ALA A 35 19.879 17.345 -6.339 1.00 0.00 ATOM 271 N PHE A 36 19.518 16.328 -5.605 1.00 0.00 ATOM 272 CA PHE A 36 18.206 16.208 -4.987 1.00 0.00 ATOM 273 CB PHE A 36 17.435 15.032 -5.590 1.00 0.00 ATOM 274 CG PHE A 36 16.065 14.841 -5.005 1.00 0.00 ATOM 275 CD1 PHE A 36 15.019 15.669 -5.371 1.00 0.00 ATOM 276 CD2 PHE A 36 15.822 13.834 -4.087 1.00 0.00 ATOM 277 CE1 PHE A 36 13.758 15.494 -4.833 1.00 0.00 ATOM 278 CE2 PHE A 36 14.562 13.658 -3.549 1.00 0.00 ATOM 279 CZ PHE A 36 13.532 14.483 -3.918 1.00 0.00 ATOM 280 O PHE A 36 19.111 15.079 -3.108 1.00 0.00 ATOM 281 C PHE A 36 18.401 15.980 -3.500 1.00 0.00 ATOM 282 N PRO A 37 17.780 16.806 -2.681 1.00 0.00 ATOM 283 CA PRO A 37 17.844 16.675 -1.232 1.00 0.00 ATOM 284 CB PRO A 37 18.619 17.915 -0.782 1.00 0.00 ATOM 285 CG PRO A 37 18.348 18.930 -1.842 1.00 0.00 ATOM 286 CD PRO A 37 18.251 18.168 -3.134 1.00 0.00 ATOM 287 O PRO A 37 15.674 17.540 -0.985 1.00 0.00 ATOM 288 C PRO A 37 16.417 16.649 -0.728 1.00 0.00 ATOM 289 N ILE A 38 16.040 15.619 -0.021 1.00 0.00 ATOM 290 CA ILE A 38 14.716 15.488 0.568 1.00 0.00 ATOM 291 CB ILE A 38 13.981 14.245 0.033 1.00 0.00 ATOM 292 CG1 ILE A 38 12.578 14.154 0.638 1.00 0.00 ATOM 293 CG2 ILE A 38 14.744 12.979 0.391 1.00 0.00 ATOM 294 CD1 ILE A 38 11.681 13.149 -0.051 1.00 0.00 ATOM 295 O ILE A 38 15.786 14.674 2.427 1.00 0.00 ATOM 296 C ILE A 38 14.970 15.369 2.047 1.00 0.00 ATOM 297 N LYS A 39 14.250 16.029 2.883 1.00 0.00 ATOM 298 CA LYS A 39 14.344 15.892 4.329 1.00 0.00 ATOM 299 CB LYS A 39 13.748 17.118 5.023 1.00 0.00 ATOM 300 CG LYS A 39 14.507 18.409 4.762 1.00 0.00 ATOM 301 CD LYS A 39 13.936 19.559 5.576 1.00 0.00 ATOM 302 CE LYS A 39 14.690 20.852 5.309 1.00 0.00 ATOM 303 NZ LYS A 39 14.125 21.994 6.080 1.00 0.00 ATOM 304 O LYS A 39 13.037 14.646 4.782 1.00 0.00 ATOM 305 C LYS A 39 13.557 14.678 4.465 1.00 0.00 ATOM 306 N ASP A 40 13.470 13.676 4.199 1.00 0.00 ATOM 307 CA ASP A 40 12.769 12.435 4.248 1.00 0.00 ATOM 308 CB ASP A 40 13.663 11.337 4.828 1.00 0.00 ATOM 309 CG ASP A 40 13.031 9.962 4.737 1.00 0.00 ATOM 310 OD1 ASP A 40 11.887 9.866 4.244 1.00 0.00 ATOM 311 OD2 ASP A 40 13.679 8.981 5.159 1.00 0.00 ATOM 312 O ASP A 40 11.456 12.397 6.226 1.00 0.00 ATOM 313 C ASP A 40 11.490 12.205 5.029 1.00 0.00 ATOM 314 N GLY A 41 10.441 11.797 4.339 1.00 0.00 ATOM 315 CA GLY A 41 9.176 11.420 4.959 1.00 0.00 ATOM 316 O GLY A 41 8.914 9.850 5.847 1.00 0.00 ATOM 317 C GLY A 41 8.977 10.025 5.307 1.00 0.00 ATOM 318 N ILE A 42 8.865 9.037 5.005 1.00 0.00 ATOM 319 CA ILE A 42 8.688 7.665 5.286 1.00 0.00 ATOM 320 CB ILE A 42 7.382 7.127 4.672 1.00 0.00 ATOM 321 CG1 ILE A 42 6.178 7.890 5.228 1.00 0.00 ATOM 322 CG2 ILE A 42 7.209 5.651 4.997 1.00 0.00 ATOM 323 CD1 ILE A 42 4.871 7.546 4.548 1.00 0.00 ATOM 324 O ILE A 42 9.950 6.833 3.645 1.00 0.00 ATOM 325 C ILE A 42 9.852 6.918 4.703 1.00 0.00 ATOM 326 N PRO A 43 10.729 6.380 5.400 1.00 0.00 ATOM 327 CA PRO A 43 11.849 5.577 4.982 1.00 0.00 ATOM 328 CB PRO A 43 13.051 6.512 5.130 1.00 0.00 ATOM 329 CG PRO A 43 12.649 7.470 6.202 1.00 0.00 ATOM 330 CD PRO A 43 11.171 7.684 6.036 1.00 0.00 ATOM 331 O PRO A 43 11.289 4.778 7.121 1.00 0.00 ATOM 332 C PRO A 43 11.674 4.500 6.036 1.00 0.00 ATOM 333 N MET A 44 11.959 3.266 5.716 1.00 0.00 ATOM 334 CA MET A 44 11.825 2.156 6.636 1.00 0.00 ATOM 335 CB MET A 44 11.560 0.857 5.873 1.00 0.00 ATOM 336 CG MET A 44 10.217 0.818 5.161 1.00 0.00 ATOM 337 SD MET A 44 9.978 -0.694 4.209 1.00 0.00 ATOM 338 CE MET A 44 9.744 -1.888 5.523 1.00 0.00 ATOM 339 O MET A 44 13.958 2.381 7.281 1.00 0.00 ATOM 340 C MET A 44 13.027 1.890 7.498 1.00 0.00 ATOM 341 N MET A 45 12.993 1.113 8.480 1.00 0.00 ATOM 342 CA MET A 45 14.049 0.855 9.430 1.00 0.00 ATOM 343 CB MET A 45 15.068 -0.125 8.845 1.00 0.00 ATOM 344 CG MET A 45 14.498 -1.499 8.533 1.00 0.00 ATOM 345 SD MET A 45 13.860 -2.337 9.996 1.00 0.00 ATOM 346 CE MET A 45 15.380 -2.689 10.875 1.00 0.00 ATOM 347 O MET A 45 14.767 2.562 8.994 1.00 0.00 ATOM 348 C MET A 45 14.195 2.303 9.263 1.00 0.00 ATOM 349 N LEU A 46 13.657 3.229 9.426 1.00 0.00 ATOM 350 CA LEU A 46 13.707 4.635 9.263 1.00 0.00 ATOM 351 CB LEU A 46 12.813 5.326 10.294 1.00 0.00 ATOM 352 CG LEU A 46 12.799 6.856 10.263 1.00 0.00 ATOM 353 CD1 LEU A 46 12.217 7.362 8.952 1.00 0.00 ATOM 354 CD2 LEU A 46 11.957 7.409 11.402 1.00 0.00 ATOM 355 O LEU A 46 15.664 5.851 8.593 1.00 0.00 ATOM 356 C LEU A 46 15.135 5.140 9.445 1.00 0.00 ATOM 357 N GLU A 47 15.765 4.767 10.555 1.00 0.00 ATOM 358 CA GLU A 47 17.138 5.176 10.805 1.00 0.00 ATOM 359 CB GLU A 47 17.599 4.693 12.181 1.00 0.00 ATOM 360 CG GLU A 47 16.885 5.361 13.345 1.00 0.00 ATOM 361 CD GLU A 47 15.528 4.746 13.626 1.00 0.00 ATOM 362 OE1 GLU A 47 15.154 3.785 12.922 1.00 0.00 ATOM 363 OE2 GLU A 47 14.838 5.226 14.550 1.00 0.00 ATOM 364 O GLU A 47 18.950 5.264 9.234 1.00 0.00 ATOM 365 C GLU A 47 18.062 4.584 9.746 1.00 0.00 ATOM 366 N SER A 48 17.852 3.315 9.409 1.00 0.00 ATOM 367 CA SER A 48 18.664 2.671 8.389 1.00 0.00 ATOM 368 CB SER A 48 18.285 1.195 8.255 1.00 0.00 ATOM 369 OG SER A 48 18.608 0.476 9.433 1.00 0.00 ATOM 370 O SER A 48 19.409 3.504 6.272 1.00 0.00 ATOM 371 C SER A 48 18.461 3.343 7.035 1.00 0.00 ATOM 372 N GLU A 49 17.231 3.744 6.736 1.00 0.00 ATOM 373 CA GLU A 49 16.951 4.424 5.485 1.00 0.00 ATOM 374 CB GLU A 49 15.444 4.618 5.306 1.00 0.00 ATOM 375 CG GLU A 49 14.680 3.332 5.034 1.00 0.00 ATOM 376 CD GLU A 49 15.172 2.615 3.792 1.00 0.00 ATOM 377 OE1 GLU A 49 15.247 3.259 2.725 1.00 0.00 ATOM 378 OE2 GLU A 49 15.481 1.408 3.886 1.00 0.00 ATOM 379 O GLU A 49 18.131 6.228 4.444 1.00 0.00 ATOM 380 C GLU A 49 17.625 5.792 5.474 1.00 0.00 ATOM 381 N ALA A 50 17.641 6.468 6.616 1.00 0.00 ATOM 382 CA ALA A 50 18.290 7.763 6.708 1.00 0.00 ATOM 383 CB ALA A 50 18.047 8.382 8.076 1.00 0.00 ATOM 384 O ALA A 50 20.425 8.368 5.795 1.00 0.00 ATOM 385 C ALA A 50 19.790 7.583 6.497 1.00 0.00 ATOM 386 N ARG A 51 20.359 6.543 7.098 1.00 0.00 ATOM 387 CA ARG A 51 21.778 6.273 6.935 1.00 0.00 ATOM 388 CB ARG A 51 22.267 5.308 8.016 1.00 0.00 ATOM 389 CG ARG A 51 22.244 5.886 9.422 1.00 0.00 ATOM 390 CD ARG A 51 23.336 6.926 9.609 1.00 0.00 ATOM 391 NE ARG A 51 24.664 6.380 9.341 1.00 0.00 ATOM 392 CZ ARG A 51 25.777 7.105 9.305 1.00 0.00 ATOM 393 NH1 ARG A 51 26.941 6.521 9.052 1.00 0.00 ATOM 394 NH2 ARG A 51 25.724 8.412 9.521 1.00 0.00 ATOM 395 O ARG A 51 23.278 5.467 5.363 1.00 0.00 ATOM 396 C ARG A 51 22.165 5.647 5.610 1.00 0.00 ATOM 397 N GLU A 52 21.243 5.314 4.769 1.00 0.00 ATOM 398 CA GLU A 52 21.473 4.817 3.437 1.00 0.00 ATOM 399 CB GLU A 52 22.882 5.182 2.965 1.00 0.00 ATOM 400 CG GLU A 52 23.191 4.749 1.541 1.00 0.00 ATOM 401 CD GLU A 52 24.579 5.163 1.094 1.00 0.00 ATOM 402 OE1 GLU A 52 25.298 5.794 1.898 1.00 0.00 ATOM 403 OE2 GLU A 52 24.948 4.857 -0.059 1.00 0.00 ATOM 404 O GLU A 52 20.519 2.915 2.924 1.00 0.00 ATOM 405 C GLU A 52 21.335 3.329 3.394 1.00 0.00 ATOM 406 N LEU A 53 22.129 2.522 3.878 1.00 0.00 ATOM 407 CA LEU A 53 22.113 1.089 3.801 1.00 0.00 ATOM 408 CB LEU A 53 23.029 0.603 2.676 1.00 0.00 ATOM 409 CG LEU A 53 22.610 0.973 1.252 1.00 0.00 ATOM 410 CD1 LEU A 53 23.707 0.619 0.260 1.00 0.00 ATOM 411 CD2 LEU A 53 21.347 0.227 0.852 1.00 0.00 ATOM 412 O LEU A 53 23.205 1.476 5.421 1.00 0.00 ATOM 413 C LEU A 53 22.615 1.006 5.182 1.00 0.00 ATOM 414 N ALA A 54 22.406 0.410 6.119 1.00 0.00 ATOM 415 CA ALA A 54 22.858 0.297 7.443 1.00 0.00 ATOM 416 CB ALA A 54 23.238 -1.143 7.752 1.00 0.00 ATOM 417 O ALA A 54 25.070 0.695 7.690 1.00 0.00 ATOM 418 C ALA A 54 24.060 1.081 7.893 1.00 0.00 ATOM 419 N PRO A 55 23.947 2.187 8.488 1.00 0.00 ATOM 420 CA PRO A 55 25.013 3.028 8.971 1.00 0.00 ATOM 421 CB PRO A 55 24.554 4.445 8.622 1.00 0.00 ATOM 422 CG PRO A 55 23.065 4.386 8.703 1.00 0.00 ATOM 423 CD PRO A 55 22.683 2.980 8.333 1.00 0.00 ATOM 424 O PRO A 55 24.187 2.516 10.842 1.00 0.00 ATOM 425 C PRO A 55 24.997 2.685 10.418 1.00 0.00 ATOM 426 N GLU A 56 25.900 2.567 11.172 1.00 0.00 ATOM 427 CA GLU A 56 25.991 2.148 12.536 1.00 0.00 ATOM 428 CB GLU A 56 27.112 1.121 12.707 1.00 0.00 ATOM 429 CG GLU A 56 26.886 -0.177 11.948 1.00 0.00 ATOM 430 CD GLU A 56 27.973 -1.201 12.208 1.00 0.00 ATOM 431 OE1 GLU A 56 28.920 -0.884 12.958 1.00 0.00 ATOM 432 OE2 GLU A 56 27.877 -2.320 11.663 1.00 0.00 ATOM 433 O GLU A 56 26.616 4.196 13.192 1.00 0.00 ATOM 434 C GLU A 56 26.280 3.234 13.534 1.00 0.00 ATOM 435 N GLU A 57 26.138 3.070 14.767 1.00 0.00 ATOM 436 CA GLU A 57 26.290 4.061 15.805 1.00 0.00 ATOM 437 CB GLU A 57 27.684 4.688 15.747 1.00 0.00 ATOM 438 CG GLU A 57 28.811 3.729 16.094 1.00 0.00 ATOM 439 CD GLU A 57 30.161 4.416 16.161 1.00 0.00 ATOM 440 OE1 GLU A 57 30.218 5.639 15.913 1.00 0.00 ATOM 441 OE2 GLU A 57 31.162 3.731 16.461 1.00 0.00 ATOM 442 O GLU A 57 24.408 5.498 16.095 1.00 0.00 ATOM 443 C GLU A 57 25.141 4.930 15.304 1.00 0.00 ATOM 444 N GLU A 58 24.972 5.021 13.995 1.00 0.00 ATOM 445 CA GLU A 58 23.887 5.769 13.408 1.00 0.00 ATOM 446 CB GLU A 58 23.772 5.462 11.914 1.00 0.00 ATOM 447 CG GLU A 58 22.823 6.382 11.163 1.00 0.00 ATOM 448 CD GLU A 58 23.295 7.823 11.152 1.00 0.00 ATOM 449 OE1 GLU A 58 24.487 8.055 10.861 1.00 0.00 ATOM 450 OE2 GLU A 58 22.473 8.719 11.435 1.00 0.00 ATOM 451 O GLU A 58 21.734 6.356 14.274 1.00 0.00 ATOM 452 C GLU A 58 22.532 5.455 14.033 1.00 0.00 ATOM 453 N VAL A 59 22.270 4.182 14.304 1.00 0.00 ATOM 454 CA VAL A 59 21.020 3.793 14.931 1.00 0.00 ATOM 455 CB VAL A 59 20.917 2.264 15.083 1.00 0.00 ATOM 456 CG1 VAL A 59 19.700 1.893 15.916 1.00 0.00 ATOM 457 CG2 VAL A 59 20.787 1.601 13.721 1.00 0.00 ATOM 458 O VAL A 59 19.856 4.916 16.703 1.00 0.00 ATOM 459 C VAL A 59 20.911 4.415 16.320 1.00 0.00 ATOM 460 N LYS A 60 22.005 4.392 17.074 1.00 0.00 ATOM 461 CA LYS A 60 22.007 4.984 18.402 1.00 0.00 ATOM 462 CB LYS A 60 23.363 4.777 19.079 1.00 0.00 ATOM 463 CG LYS A 60 23.644 3.338 19.478 1.00 0.00 ATOM 464 CD LYS A 60 25.004 3.205 20.146 1.00 0.00 ATOM 465 CE LYS A 60 25.295 1.762 20.523 1.00 0.00 ATOM 466 NZ LYS A 60 26.638 1.612 21.148 1.00 0.00 ATOM 467 O LYS A 60 20.961 7.032 19.085 1.00 0.00 ATOM 468 C LYS A 60 21.732 6.481 18.302 1.00 0.00 ATOM 469 N LEU A 61 22.356 7.141 17.331 1.00 0.00 ATOM 470 CA LEU A 61 22.136 8.566 17.139 1.00 0.00 ATOM 471 CB LEU A 61 23.025 9.099 16.014 1.00 0.00 ATOM 472 CG LEU A 61 24.527 9.150 16.303 1.00 0.00 ATOM 473 CD1 LEU A 61 25.303 9.523 15.049 1.00 0.00 ATOM 474 CD2 LEU A 61 24.832 10.184 17.376 1.00 0.00 ATOM 475 O LEU A 61 20.106 9.832 17.222 1.00 0.00 ATOM 476 C LEU A 61 20.682 8.846 16.772 1.00 0.00 ATOM 477 N GLU A 62 20.084 7.979 15.963 1.00 0.00 ATOM 478 CA GLU A 62 18.693 8.147 15.588 1.00 0.00 ATOM 479 CB GLU A 62 18.300 7.127 14.517 1.00 0.00 ATOM 480 CG GLU A 62 16.865 7.259 14.032 1.00 0.00 ATOM 481 CD GLU A 62 16.619 8.557 13.289 1.00 0.00 ATOM 482 OE1 GLU A 62 17.603 9.258 12.975 1.00 0.00 ATOM 483 OE2 GLU A 62 15.440 8.873 13.020 1.00 0.00 ATOM 484 O GLU A 62 16.801 8.645 16.968 1.00 0.00 ATOM 485 C GLU A 62 17.798 7.947 16.806 1.00 0.00 ATOM 486 N HIS A 63 18.151 7.002 17.669 1.00 0.00 ATOM 487 CA HIS A 63 17.378 6.763 18.875 1.00 0.00 ATOM 488 CB HIS A 63 17.887 5.515 19.599 1.00 0.00 ATOM 489 CG HIS A 63 17.118 5.181 20.839 1.00 0.00 ATOM 490 CD2 HIS A 63 17.391 5.209 22.269 1.00 0.00 ATOM 491 ND1 HIS A 63 15.821 4.718 20.809 1.00 0.00 ATOM 492 CE1 HIS A 63 15.401 4.508 22.069 1.00 0.00 ATOM 493 NE2 HIS A 63 16.338 4.800 22.950 1.00 0.00 ATOM 494 O HIS A 63 16.530 8.338 20.466 1.00 0.00 ATOM 495 C HIS A 63 17.499 7.958 19.814 1.00 0.00 ATOM 496 N HIS A 64 18.681 8.558 19.883 1.00 0.00 ATOM 497 CA HIS A 64 18.880 9.724 20.724 1.00 0.00 ATOM 498 CB HIS A 64 20.364 10.088 20.792 1.00 0.00 ATOM 499 CG HIS A 64 21.190 9.114 21.573 1.00 0.00 ATOM 500 CD2 HIS A 64 20.913 8.027 22.500 1.00 0.00 ATOM 501 ND1 HIS A 64 22.567 9.098 21.524 1.00 0.00 ATOM 502 CE1 HIS A 64 23.023 8.119 22.326 1.00 0.00 ATOM 503 NE2 HIS A 64 22.036 7.472 22.915 1.00 0.00 ATOM 504 O HIS A 64 17.725 11.807 20.959 1.00 0.00 ATOM 505 C HIS A 64 18.123 10.932 20.185 1.00 0.00 ATOM 506 N HIS A 65 17.935 10.987 18.866 1.00 0.00 ATOM 507 CA HIS A 65 17.248 12.101 18.250 1.00 0.00 ATOM 508 CB HIS A 65 18.151 13.336 18.218 1.00 0.00 ATOM 509 CG HIS A 65 19.396 13.153 17.407 1.00 0.00 ATOM 510 CD2 HIS A 65 20.751 12.694 17.675 1.00 0.00 ATOM 511 ND1 HIS A 65 19.456 13.440 16.061 1.00 0.00 ATOM 512 CE1 HIS A 65 20.697 13.177 15.612 1.00 0.00 ATOM 513 NE2 HIS A 65 21.479 12.729 16.576 1.00 0.00 ATOM 514 O HIS A 65 17.326 11.192 16.060 1.00 0.00 ATOM 515 C HIS A 65 16.772 11.950 16.819 1.00 0.00 ATOM 516 N HIS A 66 15.741 12.680 16.456 1.00 0.00 ATOM 517 CA HIS A 66 15.216 12.679 15.091 1.00 0.00 ATOM 518 CB HIS A 66 14.329 11.454 14.859 1.00 0.00 ATOM 519 CG HIS A 66 13.068 11.459 15.665 1.00 0.00 ATOM 520 CD2 HIS A 66 11.678 11.814 15.417 1.00 0.00 ATOM 521 ND1 HIS A 66 13.026 11.062 16.984 1.00 0.00 ATOM 522 CE1 HIS A 66 11.765 11.177 17.436 1.00 0.00 ATOM 523 NE2 HIS A 66 10.951 11.627 16.501 1.00 0.00 ATOM 524 O HIS A 66 13.625 14.431 15.330 1.00 0.00 ATOM 525 C HIS A 66 14.352 13.814 14.578 1.00 0.00 ATOM 526 N HIS A 67 14.438 14.077 13.289 1.00 0.00 ATOM 527 CA HIS A 67 13.584 15.058 12.618 1.00 0.00 ATOM 528 CB HIS A 67 14.298 16.407 12.513 1.00 0.00 ATOM 529 CG HIS A 67 14.698 16.984 13.835 1.00 0.00 ATOM 530 CD2 HIS A 67 15.939 17.092 14.588 1.00 0.00 ATOM 531 ND1 HIS A 67 13.802 17.602 14.679 1.00 0.00 ATOM 532 CE1 HIS A 67 14.452 18.015 15.782 1.00 0.00 ATOM 533 NE2 HIS A 67 15.734 17.712 15.734 1.00 0.00 ATOM 534 O HIS A 67 14.236 14.201 10.530 1.00 0.00 ATOM 535 C HIS A 67 13.329 14.453 11.254 1.00 0.00 ATOM 536 N HIS 68 12.091 14.213 10.917 1.00 0.00 ATOM 537 CA HIS 68 11.698 13.682 9.620 1.00 0.00 ENDMDL