EXPDTA T0348TS021_1-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0348TS021_1-scwrl ATOM 1 N MET 1 -2.073 -0.076 18.008 1.00 0.00 ATOM 2 CA MET 1 -1.410 -0.552 19.240 1.00 0.00 ATOM 3 CB MET 1 0.063 -0.866 18.969 1.00 0.00 ATOM 4 CG MET 1 0.284 -2.041 18.030 1.00 0.00 ATOM 5 SD MET 1 -0.358 -3.590 18.691 1.00 0.00 ATOM 6 CE MET 1 0.798 -3.894 20.025 1.00 0.00 ATOM 7 O MET 1 -2.449 0.548 21.064 1.00 0.00 ATOM 8 C MET 1 -1.503 0.513 20.279 1.00 0.00 ATOM 9 N ASP 2 -0.519 1.428 20.304 1.00 0.00 ATOM 10 CA ASP 2 -0.563 2.479 21.275 1.00 0.00 ATOM 11 CB ASP 2 0.825 3.094 21.463 1.00 0.00 ATOM 12 CG ASP 2 0.993 3.753 22.817 1.00 0.00 ATOM 13 OD1 ASP 2 -0.012 3.867 23.551 1.00 0.00 ATOM 14 OD2 ASP 2 2.128 4.156 23.146 1.00 0.00 ATOM 15 O ASP 2 -2.051 3.468 19.705 1.00 0.00 ATOM 16 C ASP 2 -1.506 3.532 20.806 1.00 0.00 ATOM 17 N ALA 3 -1.717 4.537 21.677 1.00 0.00 ATOM 18 CA ALA 3 -2.623 5.609 21.412 1.00 0.00 ATOM 19 CB ALA 3 -3.865 5.481 22.281 1.00 0.00 ATOM 20 O ALA 3 -0.818 6.857 22.310 1.00 0.00 ATOM 21 C ALA 3 -1.901 6.877 21.726 1.00 0.00 ATOM 22 N LYS 4 -2.491 8.017 21.313 1.00 0.00 ATOM 23 CA LYS 4 -1.902 9.309 21.519 1.00 0.00 ATOM 24 CB LYS 4 -2.609 10.363 20.664 1.00 0.00 ATOM 25 CG LYS 4 -4.035 10.659 21.097 1.00 0.00 ATOM 26 CD LYS 4 -4.683 11.695 20.193 1.00 0.00 ATOM 27 CE LYS 4 -6.106 11.998 20.631 1.00 0.00 ATOM 28 NZ LYS 4 -6.778 12.959 19.713 1.00 0.00 ATOM 29 O LYS 4 -2.962 9.159 23.636 1.00 0.00 ATOM 30 C LYS 4 -2.051 9.643 22.966 1.00 0.00 ATOM 31 N PHE 5 -1.143 10.484 23.494 1.00 0.00 ATOM 32 CA PHE 5 -1.243 10.830 24.877 1.00 0.00 ATOM 33 CB PHE 5 0.101 10.626 25.579 1.00 0.00 ATOM 34 CG PHE 5 0.531 9.189 25.660 1.00 0.00 ATOM 35 CD1 PHE 5 1.332 8.634 24.678 1.00 0.00 ATOM 36 CD2 PHE 5 0.134 8.392 26.720 1.00 0.00 ATOM 37 CE1 PHE 5 1.727 7.312 24.753 1.00 0.00 ATOM 38 CE2 PHE 5 0.529 7.070 26.795 1.00 0.00 ATOM 39 CZ PHE 5 1.322 6.530 25.817 1.00 0.00 ATOM 40 O PHE 5 -1.181 13.077 24.127 1.00 0.00 ATOM 41 C PHE 5 -1.645 12.266 24.926 1.00 0.00 ATOM 42 N LEU 6 -2.550 12.621 25.858 1.00 0.00 ATOM 43 CA LEU 6 -3.013 13.975 25.832 1.00 0.00 ATOM 44 CB LEU 6 -4.495 14.028 25.453 1.00 0.00 ATOM 45 CG LEU 6 -4.854 13.533 24.051 1.00 0.00 ATOM 46 CD1 LEU 6 -6.362 13.418 23.891 1.00 0.00 ATOM 47 CD2 LEU 6 -4.336 14.496 22.993 1.00 0.00 ATOM 48 O LEU 6 -3.800 15.219 27.680 1.00 0.00 ATOM 49 C LEU 6 -2.854 14.628 27.164 1.00 0.00 ATOM 50 N GLU 7 -1.643 14.607 27.750 1.00 0.00 ATOM 51 CA GLU 7 -1.568 15.287 29.006 1.00 0.00 ATOM 52 CB GLU 7 -1.626 14.286 30.162 1.00 0.00 ATOM 53 CG GLU 7 -1.538 14.922 31.539 1.00 0.00 ATOM 54 CD GLU 7 -1.688 13.911 32.659 1.00 0.00 ATOM 55 OE1 GLU 7 -1.910 12.720 32.357 1.00 0.00 ATOM 56 OE2 GLU 7 -1.583 14.310 33.838 1.00 0.00 ATOM 57 O GLU 7 0.755 15.589 28.613 1.00 0.00 ATOM 58 C GLU 7 -0.287 16.043 29.083 1.00 0.00 ATOM 59 N ILE 8 -0.358 17.248 29.681 1.00 0.00 ATOM 60 CA ILE 8 0.797 18.075 29.849 1.00 0.00 ATOM 61 CB ILE 8 0.793 19.257 28.862 1.00 0.00 ATOM 62 CG1 ILE 8 -0.446 20.128 29.079 1.00 0.00 ATOM 63 CG2 ILE 8 0.783 18.754 27.427 1.00 0.00 ATOM 64 CD1 ILE 8 -0.436 21.414 28.282 1.00 0.00 ATOM 65 O ILE 8 -0.287 18.715 31.863 1.00 0.00 ATOM 66 C ILE 8 0.773 18.593 31.253 1.00 0.00 ATOM 67 N LEU 9 1.963 18.891 31.810 1.00 0.00 ATOM 68 CA LEU 9 2.053 19.419 33.141 1.00 0.00 ATOM 69 CB LEU 9 2.894 18.498 34.027 1.00 0.00 ATOM 70 CG LEU 9 2.383 17.065 34.193 1.00 0.00 ATOM 71 CD1 LEU 9 3.396 16.218 34.948 1.00 0.00 ATOM 72 CD2 LEU 9 1.076 17.048 34.970 1.00 0.00 ATOM 73 O LEU 9 2.817 21.332 31.970 1.00 0.00 ATOM 74 C LEU 9 2.695 20.762 33.051 1.00 0.00 ATOM 75 N VAL 10 3.098 21.310 34.215 1.00 0.00 ATOM 76 CA VAL 10 3.728 22.594 34.260 1.00 0.00 ATOM 77 CB VAL 10 4.033 23.022 35.707 1.00 0.00 ATOM 78 CG1 VAL 10 4.851 24.305 35.722 1.00 0.00 ATOM 79 CG2 VAL 10 2.743 23.267 36.474 1.00 0.00 ATOM 80 O VAL 10 5.757 21.547 33.613 1.00 0.00 ATOM 81 C VAL 10 5.007 22.513 33.494 1.00 0.00 ATOM 82 N CYS 11 5.273 23.556 32.684 1.00 0.00 ATOM 83 CA CYS 11 6.470 23.689 31.904 1.00 0.00 ATOM 84 CB CYS 11 7.640 24.124 32.788 1.00 0.00 ATOM 85 SG CYS 11 9.166 24.482 31.886 1.00 0.00 ATOM 86 O CYS 11 7.761 21.698 31.681 1.00 0.00 ATOM 87 C CYS 11 6.850 22.399 31.246 1.00 0.00 ATOM 88 N PRO 12 6.164 22.094 30.182 1.00 0.00 ATOM 89 CA PRO 12 6.388 20.911 29.396 1.00 0.00 ATOM 90 CB PRO 12 5.344 21.004 28.281 1.00 0.00 ATOM 91 CG PRO 12 5.065 22.464 28.151 1.00 0.00 ATOM 92 CD PRO 12 5.149 23.030 29.541 1.00 0.00 ATOM 93 O PRO 12 8.252 19.924 28.353 1.00 0.00 ATOM 94 C PRO 12 7.793 20.941 28.869 1.00 0.00 ATOM 95 N LEU 13 8.486 22.091 28.978 1.00 0.00 ATOM 96 CA LEU 13 9.812 22.245 28.454 1.00 0.00 ATOM 97 CB LEU 13 10.317 23.671 28.684 1.00 0.00 ATOM 98 CG LEU 13 9.559 24.784 27.957 1.00 0.00 ATOM 99 CD1 LEU 13 10.058 26.151 28.399 1.00 0.00 ATOM 100 CD2 LEU 13 9.750 24.671 26.453 1.00 0.00 ATOM 101 O LEU 13 10.314 20.513 29.997 1.00 0.00 ATOM 102 C LEU 13 10.728 21.289 29.139 1.00 0.00 ATOM 103 N CYS 14 12.021 21.360 28.767 1.00 0.00 ATOM 104 CA CYS 14 13.052 20.442 29.154 1.00 0.00 ATOM 105 CB CYS 14 14.399 20.872 28.570 1.00 0.00 ATOM 106 SG CYS 14 14.493 20.788 26.767 1.00 0.00 ATOM 107 O CYS 14 13.612 19.427 31.209 1.00 0.00 ATOM 108 C CYS 14 13.152 20.414 30.639 1.00 0.00 ATOM 109 N LYS 15 12.721 21.498 31.303 1.00 0.00 ATOM 110 CA LYS 15 12.783 21.554 32.731 1.00 0.00 ATOM 111 CB LYS 15 12.119 22.832 33.246 1.00 0.00 ATOM 112 CG LYS 15 12.167 22.991 34.757 1.00 0.00 ATOM 113 CD LYS 15 11.559 24.314 35.193 1.00 0.00 ATOM 114 CE LYS 15 11.577 24.458 36.706 1.00 0.00 ATOM 115 NZ LYS 15 10.989 25.753 37.148 1.00 0.00 ATOM 116 O LYS 15 12.512 19.760 34.245 1.00 0.00 ATOM 117 C LYS 15 12.063 20.357 33.269 1.00 0.00 ATOM 118 N GLY 16 10.933 19.960 32.648 1.00 0.00 ATOM 119 CA GLY 16 10.224 18.823 33.171 1.00 0.00 ATOM 120 O GLY 16 10.096 18.154 30.875 1.00 0.00 ATOM 121 C GLY 16 9.903 17.873 32.055 1.00 0.00 ATOM 122 N PRO 17 9.443 16.717 32.437 1.00 0.00 ATOM 123 CA PRO 17 9.044 15.713 31.485 1.00 0.00 ATOM 124 CB PRO 17 9.136 14.402 32.269 1.00 0.00 ATOM 125 CG PRO 17 8.820 14.785 33.676 1.00 0.00 ATOM 126 CD PRO 17 9.438 16.139 33.888 1.00 0.00 ATOM 127 O PRO 17 6.951 16.790 31.553 1.00 0.00 ATOM 128 C PRO 17 7.651 15.952 30.987 1.00 0.00 ATOM 129 N LEU 18 7.245 15.240 29.913 1.00 0.00 ATOM 130 CA LEU 18 5.921 15.358 29.372 1.00 0.00 ATOM 131 CB LEU 18 5.975 15.495 27.849 1.00 0.00 ATOM 132 CG LEU 18 6.768 16.685 27.303 1.00 0.00 ATOM 133 CD1 LEU 18 6.808 16.652 25.783 1.00 0.00 ATOM 134 CD2 LEU 18 6.132 17.998 27.734 1.00 0.00 ATOM 135 O LEU 18 5.800 13.041 29.840 1.00 0.00 ATOM 136 C LEU 18 5.198 14.110 29.762 1.00 0.00 ATOM 137 N VAL 19 3.882 14.212 30.029 1.00 0.00 ATOM 138 CA VAL 19 3.168 13.033 30.425 1.00 0.00 ATOM 139 CB VAL 19 2.162 13.334 31.551 1.00 0.00 ATOM 140 CG1 VAL 19 1.378 12.082 31.914 1.00 0.00 ATOM 141 CG2 VAL 19 2.886 13.825 32.795 1.00 0.00 ATOM 142 O VAL 19 1.776 13.231 28.507 1.00 0.00 ATOM 143 C VAL 19 2.420 12.493 29.252 1.00 0.00 ATOM 144 N PHE 20 2.526 11.164 29.055 1.00 0.00 ATOM 145 CA PHE 20 1.841 10.514 27.983 1.00 0.00 ATOM 146 CB PHE 20 2.815 9.671 27.157 1.00 0.00 ATOM 147 CG PHE 20 3.765 10.485 26.325 1.00 0.00 ATOM 148 CD1 PHE 20 3.641 11.861 26.254 1.00 0.00 ATOM 149 CD2 PHE 20 4.781 9.873 25.612 1.00 0.00 ATOM 150 CE1 PHE 20 4.515 12.609 25.488 1.00 0.00 ATOM 151 CE2 PHE 20 5.655 10.621 24.846 1.00 0.00 ATOM 152 CZ PHE 20 5.525 11.984 24.782 1.00 0.00 ATOM 153 O PHE 20 1.150 8.698 29.336 1.00 0.00 ATOM 154 C PHE 20 0.810 9.655 28.644 1.00 0.00 ATOM 155 N ASP 21 -0.485 9.983 28.458 1.00 0.00 ATOM 156 CA ASP 21 -1.507 9.194 29.076 1.00 0.00 ATOM 157 CB ASP 21 -2.192 9.984 30.193 1.00 0.00 ATOM 158 CG ASP 21 -2.871 11.241 29.685 1.00 0.00 ATOM 159 OD1 ASP 21 -2.890 11.450 28.454 1.00 0.00 ATOM 160 OD2 ASP 21 -3.383 12.018 30.519 1.00 0.00 ATOM 161 O ASP 21 -2.731 9.528 27.066 1.00 0.00 ATOM 162 C ASP 21 -2.520 8.819 28.050 1.00 0.00 ATOM 163 N LYS 22 -3.156 7.653 28.268 1.00 0.00 ATOM 164 CA LYS 22 -4.158 7.114 27.401 1.00 0.00 ATOM 165 CB LYS 22 -3.670 5.812 26.763 1.00 0.00 ATOM 166 CG LYS 22 -4.646 5.205 25.768 1.00 0.00 ATOM 167 CD LYS 22 -4.068 3.958 25.118 1.00 0.00 ATOM 168 CE LYS 22 -5.047 3.346 24.130 1.00 0.00 ATOM 169 NZ LYS 22 -4.495 2.122 23.487 1.00 0.00 ATOM 170 O LYS 22 -6.166 7.759 28.507 1.00 0.00 ATOM 171 C LYS 22 -5.346 6.872 28.275 1.00 0.00 ATOM 172 N SER 23 -5.458 5.634 28.789 1.00 0.00 ATOM 173 CA SER 23 -6.516 5.268 29.685 1.00 0.00 ATOM 174 CB SER 23 -6.425 3.783 30.043 1.00 0.00 ATOM 175 OG SER 23 -5.256 3.510 30.795 1.00 0.00 ATOM 176 O SER 23 -7.282 6.333 31.663 1.00 0.00 ATOM 177 C SER 23 -6.341 6.114 30.902 1.00 0.00 ATOM 178 N LYS 24 -5.099 6.602 31.074 1.00 0.00 ATOM 179 CA LYS 24 -4.599 7.431 32.129 1.00 0.00 ATOM 180 CB LYS 24 -5.511 8.642 32.337 1.00 0.00 ATOM 181 CG LYS 24 -5.538 9.607 31.163 1.00 0.00 ATOM 182 CD LYS 24 -6.550 10.719 31.386 1.00 0.00 ATOM 183 CE LYS 24 -6.586 11.678 30.207 1.00 0.00 ATOM 184 NZ LYS 24 -7.607 12.745 30.390 1.00 0.00 ATOM 185 O LYS 24 -4.198 7.160 34.434 1.00 0.00 ATOM 186 C LYS 24 -4.549 6.635 33.378 1.00 0.00 ATOM 187 N ASP 25 -4.900 5.341 33.308 1.00 0.00 ATOM 188 CA ASP 25 -4.676 4.591 34.496 1.00 0.00 ATOM 189 CB ASP 25 -5.285 3.193 34.370 1.00 0.00 ATOM 190 CG ASP 25 -6.800 3.210 34.428 1.00 0.00 ATOM 191 OD1 ASP 25 -7.368 4.256 34.809 1.00 0.00 ATOM 192 OD2 ASP 25 -7.419 2.179 34.093 1.00 0.00 ATOM 193 O ASP 25 -2.606 4.868 35.625 1.00 0.00 ATOM 194 C ASP 25 -3.191 4.550 34.592 1.00 0.00 ATOM 195 N GLU 26 -2.536 4.204 33.465 1.00 0.00 ATOM 196 CA GLU 26 -1.109 4.216 33.482 1.00 0.00 ATOM 197 CB GLU 26 -0.558 2.823 33.173 1.00 0.00 ATOM 198 CG GLU 26 0.958 2.726 33.240 1.00 0.00 ATOM 199 CD GLU 26 1.465 1.327 32.952 1.00 0.00 ATOM 200 OE1 GLU 26 0.637 0.449 32.629 1.00 0.00 ATOM 201 OE2 GLU 26 2.691 1.108 33.050 1.00 0.00 ATOM 202 O GLU 26 -0.772 4.935 31.249 1.00 0.00 ATOM 203 C GLU 26 -0.658 5.178 32.450 1.00 0.00 ATOM 204 N LEU 27 -0.118 6.314 32.903 1.00 0.00 ATOM 205 CA LEU 27 0.400 7.239 31.957 1.00 0.00 ATOM 206 CB LEU 27 -0.065 8.659 32.286 1.00 0.00 ATOM 207 CG LEU 27 -1.577 8.892 32.297 1.00 0.00 ATOM 208 CD1 LEU 27 -1.898 10.316 32.724 1.00 0.00 ATOM 209 CD2 LEU 27 -2.166 8.666 30.913 1.00 0.00 ATOM 210 O LEU 27 2.392 6.918 33.178 1.00 0.00 ATOM 211 C LEU 27 1.875 7.109 32.077 1.00 0.00 ATOM 212 N ILE 28 2.593 7.157 30.945 1.00 0.00 ATOM 213 CA ILE 28 4.012 7.049 31.047 1.00 0.00 ATOM 214 CB ILE 28 4.573 6.020 30.048 1.00 0.00 ATOM 215 CG1 ILE 28 3.986 4.634 30.324 1.00 0.00 ATOM 216 CG2 ILE 28 6.087 5.934 30.166 1.00 0.00 ATOM 217 CD1 ILE 28 4.316 3.609 29.262 1.00 0.00 ATOM 218 O ILE 28 4.288 8.991 29.710 1.00 0.00 ATOM 219 C ILE 28 4.568 8.395 30.750 1.00 0.00 ATOM 220 N CYS 29 5.361 8.923 31.697 1.00 0.00 ATOM 221 CA CYS 29 5.912 10.226 31.521 1.00 0.00 ATOM 222 CB CYS 29 5.792 11.037 32.813 1.00 0.00 ATOM 223 SG CYS 29 6.443 12.720 32.701 1.00 0.00 ATOM 224 O CYS 29 8.107 9.419 31.888 1.00 0.00 ATOM 225 C CYS 29 7.340 10.043 31.158 1.00 0.00 ATOM 226 N LYS 30 7.738 10.572 29.992 1.00 0.00 ATOM 227 CA LYS 30 9.108 10.395 29.640 1.00 0.00 ATOM 228 CB LYS 30 9.268 9.207 28.689 1.00 0.00 ATOM 229 CG LYS 30 8.744 7.893 29.244 1.00 0.00 ATOM 230 CD LYS 30 9.644 7.362 30.348 1.00 0.00 ATOM 231 CE LYS 30 9.135 6.034 30.885 1.00 0.00 ATOM 232 NZ LYS 30 9.936 5.562 32.048 1.00 0.00 ATOM 233 O LYS 30 8.797 12.360 28.353 1.00 0.00 ATOM 234 C LYS 30 9.575 11.636 28.973 1.00 0.00 ATOM 235 N GLY 31 10.880 11.927 29.113 1.00 0.00 ATOM 236 CA GLY 31 11.406 13.100 28.492 1.00 0.00 ATOM 237 O GLY 31 13.202 11.847 27.600 1.00 0.00 ATOM 238 C GLY 31 12.277 12.627 27.384 1.00 0.00 ATOM 239 N ASP 32 12.000 13.091 26.153 1.00 0.00 ATOM 240 CA ASP 32 12.800 12.661 25.047 1.00 0.00 ATOM 241 CB ASP 32 12.004 12.749 23.743 1.00 0.00 ATOM 242 CG ASP 32 10.944 11.670 23.634 1.00 0.00 ATOM 243 OD1 ASP 32 10.963 10.733 24.460 1.00 0.00 ATOM 244 OD2 ASP 32 10.095 11.762 22.723 1.00 0.00 ATOM 245 O ASP 32 13.991 14.642 25.564 1.00 0.00 ATOM 246 C ASP 32 13.988 13.559 24.981 1.00 0.00 ATOM 247 N ARG 33 15.051 13.114 24.285 1.00 0.00 ATOM 248 CA ARG 33 16.188 13.972 24.196 1.00 0.00 ATOM 249 CB ARG 33 17.455 13.230 24.627 1.00 0.00 ATOM 250 CG ARG 33 17.425 12.734 26.063 1.00 0.00 ATOM 251 CD ARG 33 18.651 11.893 26.382 1.00 0.00 ATOM 252 NE ARG 33 19.885 12.669 26.294 1.00 0.00 ATOM 253 CZ ARG 33 21.103 12.136 26.274 1.00 0.00 ATOM 254 NH1 ARG 33 22.169 12.921 26.192 1.00 0.00 ATOM 255 NH2 ARG 33 21.252 10.820 26.337 1.00 0.00 ATOM 256 O ARG 33 17.414 14.352 22.206 1.00 0.00 ATOM 257 C ARG 33 16.326 14.418 22.775 1.00 0.00 ATOM 258 N LEU 34 15.229 14.891 22.155 1.00 0.00 ATOM 259 CA LEU 34 15.375 15.415 20.831 1.00 0.00 ATOM 260 CB LEU 34 14.558 14.590 19.835 1.00 0.00 ATOM 261 CG LEU 34 14.930 13.111 19.714 1.00 0.00 ATOM 262 CD1 LEU 34 13.960 12.385 18.795 1.00 0.00 ATOM 263 CD2 LEU 34 16.332 12.954 19.144 1.00 0.00 ATOM 264 O LEU 34 13.792 17.044 21.458 1.00 0.00 ATOM 265 C LEU 34 14.871 16.809 20.920 1.00 0.00 ATOM 266 N ALA 35 15.643 17.792 20.426 1.00 0.00 ATOM 267 CA ALA 35 15.099 19.108 20.539 1.00 0.00 ATOM 268 CB ALA 35 16.112 20.142 20.074 1.00 0.00 ATOM 269 O ALA 35 13.984 19.130 18.446 1.00 0.00 ATOM 270 C ALA 35 13.886 19.131 19.671 1.00 0.00 ATOM 271 N PHE 36 12.700 19.172 20.301 1.00 0.00 ATOM 272 CA PHE 36 11.471 19.212 19.572 1.00 0.00 ATOM 273 CB PHE 36 11.056 17.803 19.143 1.00 0.00 ATOM 274 CG PHE 36 10.796 16.872 20.292 1.00 0.00 ATOM 275 CD1 PHE 36 9.519 16.723 20.806 1.00 0.00 ATOM 276 CD2 PHE 36 11.827 16.143 20.859 1.00 0.00 ATOM 277 CE1 PHE 36 9.280 15.866 21.863 1.00 0.00 ATOM 278 CE2 PHE 36 11.588 15.286 21.916 1.00 0.00 ATOM 279 CZ PHE 36 10.320 15.146 22.419 1.00 0.00 ATOM 280 O PHE 36 10.615 19.850 21.696 1.00 0.00 ATOM 281 C PHE 36 10.451 19.794 20.478 1.00 0.00 ATOM 282 N PRO 37 9.411 20.266 19.867 1.00 0.00 ATOM 283 CA PRO 37 8.310 20.821 20.594 1.00 0.00 ATOM 284 CB PRO 37 7.546 21.633 19.546 1.00 0.00 ATOM 285 CG PRO 37 7.806 20.922 18.260 1.00 0.00 ATOM 286 CD PRO 37 9.218 20.414 18.343 1.00 0.00 ATOM 287 O PRO 37 7.514 18.619 20.546 1.00 0.00 ATOM 288 C PRO 37 7.509 19.693 21.145 1.00 0.00 ATOM 289 N ILE 38 6.824 19.910 22.283 1.00 0.00 ATOM 290 CA ILE 38 6.011 18.871 22.831 1.00 0.00 ATOM 291 CB ILE 38 6.533 18.412 24.205 1.00 0.00 ATOM 292 CG1 ILE 38 7.949 17.848 24.077 1.00 0.00 ATOM 293 CG2 ILE 38 5.633 17.329 24.782 1.00 0.00 ATOM 294 CD1 ILE 38 8.633 17.606 25.405 1.00 0.00 ATOM 295 O ILE 38 4.416 20.542 23.392 1.00 0.00 ATOM 296 C ILE 38 4.625 19.400 22.985 1.00 0.00 ATOM 297 N LYS 39 3.638 18.562 22.627 1.00 0.00 ATOM 298 CA LYS 39 2.257 18.923 22.712 1.00 0.00 ATOM 299 CB LYS 39 1.777 19.520 21.388 1.00 0.00 ATOM 300 CG LYS 39 1.814 18.549 20.219 1.00 0.00 ATOM 301 CD LYS 39 1.320 19.204 18.940 1.00 0.00 ATOM 302 CE LYS 39 1.408 18.250 17.761 1.00 0.00 ATOM 303 NZ LYS 39 0.858 18.853 16.515 1.00 0.00 ATOM 304 O LYS 39 2.194 16.606 23.094 1.00 0.00 ATOM 305 C LYS 39 1.551 17.652 23.019 1.00 0.00 ATOM 306 N ASP 40 0.223 17.711 23.251 1.00 0.00 ATOM 307 CA ASP 40 -0.459 16.467 23.432 1.00 0.00 ATOM 308 CB ASP 40 -1.950 16.704 23.679 1.00 0.00 ATOM 309 CG ASP 40 -2.229 17.279 25.054 1.00 0.00 ATOM 310 OD1 ASP 40 -1.309 17.270 25.899 1.00 0.00 ATOM 311 OD2 ASP 40 -3.368 17.736 25.287 1.00 0.00 ATOM 312 O ASP 40 0.265 14.609 22.178 1.00 0.00 ATOM 313 C ASP 40 -0.220 15.739 22.155 1.00 0.00 ATOM 314 N GLY 41 -0.517 16.429 21.028 1.00 0.00 ATOM 315 CA GLY 41 -0.267 16.034 19.665 1.00 0.00 ATOM 316 O GLY 41 -1.200 13.905 20.132 1.00 0.00 ATOM 317 C GLY 41 -0.339 14.554 19.540 1.00 0.00 ATOM 318 N ILE 42 0.573 13.981 18.736 1.00 0.00 ATOM 319 CA ILE 42 0.604 12.558 18.681 1.00 0.00 ATOM 320 CB ILE 42 0.464 12.046 17.235 1.00 0.00 ATOM 321 CG1 ILE 42 -0.865 12.506 16.633 1.00 0.00 ATOM 322 CG2 ILE 42 0.507 10.526 17.202 1.00 0.00 ATOM 323 CD1 ILE 42 -0.998 12.217 15.154 1.00 0.00 ATOM 324 O ILE 42 2.990 12.515 18.762 1.00 0.00 ATOM 325 C ILE 42 1.918 12.155 19.244 1.00 0.00 ATOM 326 N PRO 43 1.834 11.477 20.343 1.00 0.00 ATOM 327 CA PRO 43 3.053 10.992 20.909 1.00 0.00 ATOM 328 CB PRO 43 2.716 10.778 22.386 1.00 0.00 ATOM 329 CG PRO 43 1.435 11.516 22.588 1.00 0.00 ATOM 330 CD PRO 43 0.722 11.482 21.265 1.00 0.00 ATOM 331 O PRO 43 2.496 9.154 19.572 1.00 0.00 ATOM 332 C PRO 43 3.384 9.734 20.195 1.00 0.00 ATOM 333 N MET 44 4.650 9.301 20.247 1.00 0.00 ATOM 334 CA MET 44 4.951 8.058 19.619 1.00 0.00 ATOM 335 CB MET 44 6.414 8.024 19.171 1.00 0.00 ATOM 336 CG MET 44 6.741 8.993 18.046 1.00 0.00 ATOM 337 SD MET 44 8.484 8.963 17.587 1.00 0.00 ATOM 338 CE MET 44 8.578 7.403 16.713 1.00 0.00 ATOM 339 O MET 44 4.552 7.274 21.822 1.00 0.00 ATOM 340 C MET 44 4.693 6.997 20.632 1.00 0.00 ATOM 341 N MET 45 4.586 5.742 20.166 1.00 0.00 ATOM 342 CA MET 45 4.367 4.654 21.068 1.00 0.00 ATOM 343 CB MET 45 4.135 3.355 20.294 1.00 0.00 ATOM 344 CG MET 45 3.829 2.154 21.174 1.00 0.00 ATOM 345 SD MET 45 3.422 0.678 20.222 1.00 0.00 ATOM 346 CE MET 45 3.530 -0.583 21.488 1.00 0.00 ATOM 347 O MET 45 6.701 4.819 21.455 1.00 0.00 ATOM 348 C MET 45 5.593 4.543 21.914 1.00 0.00 ATOM 349 N LEU 46 5.424 4.173 23.199 1.00 0.00 ATOM 350 CA LEU 46 6.581 4.139 24.043 1.00 0.00 ATOM 351 CB LEU 46 6.273 4.773 25.401 1.00 0.00 ATOM 352 CG LEU 46 5.811 6.231 25.379 1.00 0.00 ATOM 353 CD1 LEU 46 5.482 6.713 26.784 1.00 0.00 ATOM 354 CD2 LEU 46 6.898 7.131 24.811 1.00 0.00 ATOM 355 O LEU 46 6.679 2.111 25.260 1.00 0.00 ATOM 356 C LEU 46 6.966 2.715 24.227 1.00 0.00 ATOM 357 N GLU 47 7.630 2.139 23.213 1.00 0.00 ATOM 358 CA GLU 47 8.066 0.785 23.335 1.00 0.00 ATOM 359 CB GLU 47 8.574 0.263 21.990 1.00 0.00 ATOM 360 CG GLU 47 7.484 0.059 20.951 1.00 0.00 ATOM 361 CD GLU 47 8.036 -0.340 19.597 1.00 0.00 ATOM 362 OE1 GLU 47 9.276 -0.387 19.451 1.00 0.00 ATOM 363 OE2 GLU 47 7.230 -0.605 18.680 1.00 0.00 ATOM 364 O GLU 47 9.224 -0.127 25.200 1.00 0.00 ATOM 365 C GLU 47 9.171 0.754 24.344 1.00 0.00 ATOM 366 N SER 48 10.073 1.754 24.285 1.00 0.00 ATOM 367 CA SER 48 11.208 1.749 25.159 1.00 0.00 ATOM 368 CB SER 48 12.361 0.960 24.535 1.00 0.00 ATOM 369 OG SER 48 13.401 0.749 25.474 1.00 0.00 ATOM 370 O SER 48 10.807 4.098 25.198 1.00 0.00 ATOM 371 C SER 48 11.608 3.181 25.362 1.00 0.00 ATOM 372 N GLU 49 12.878 3.396 25.749 1.00 0.00 ATOM 373 CA GLU 49 13.436 4.702 25.944 1.00 0.00 ATOM 374 CB GLU 49 13.307 5.536 24.668 1.00 0.00 ATOM 375 CG GLU 49 14.058 4.966 23.475 1.00 0.00 ATOM 376 CD GLU 49 13.931 5.833 22.238 1.00 0.00 ATOM 377 OE1 GLU 49 13.206 6.848 22.296 1.00 0.00 ATOM 378 OE2 GLU 49 14.557 5.498 21.211 1.00 0.00 ATOM 379 O GLU 49 12.582 6.648 26.987 1.00 0.00 ATOM 380 C GLU 49 12.740 5.430 27.042 1.00 0.00 ATOM 381 N ALA 50 12.324 4.703 28.090 1.00 0.00 ATOM 382 CA ALA 50 11.739 5.363 29.218 1.00 0.00 ATOM 383 CB ALA 50 11.000 4.362 30.093 1.00 0.00 ATOM 384 O ALA 50 14.029 5.661 29.749 1.00 0.00 ATOM 385 C ALA 50 12.866 5.990 29.976 1.00 0.00 ATOM 386 N ARG 51 12.548 6.936 30.886 1.00 0.00 ATOM 387 CA ARG 51 13.586 7.563 31.655 1.00 0.00 ATOM 388 CB ARG 51 12.989 8.570 32.640 1.00 0.00 ATOM 389 CG ARG 51 14.024 9.332 33.452 1.00 0.00 ATOM 390 CD ARG 51 13.363 10.244 34.472 1.00 0.00 ATOM 391 NE ARG 51 12.648 9.490 35.499 1.00 0.00 ATOM 392 CZ ARG 51 13.236 8.882 36.524 1.00 0.00 ATOM 393 NH1 ARG 51 12.505 8.219 37.410 1.00 0.00 ATOM 394 NH2 ARG 51 14.553 8.940 36.662 1.00 0.00 ATOM 395 O ARG 51 15.478 6.338 32.380 1.00 0.00 ATOM 396 C ARG 51 14.252 6.443 32.361 1.00 0.00 ATOM 397 N GLU 52 13.436 5.555 32.951 1.00 0.00 ATOM 398 CA GLU 52 14.006 4.392 33.545 1.00 0.00 ATOM 399 CB GLU 52 13.153 3.919 34.724 1.00 0.00 ATOM 400 CG GLU 52 13.109 4.894 35.889 1.00 0.00 ATOM 401 CD GLU 52 14.480 5.157 36.481 1.00 0.00 ATOM 402 OE1 GLU 52 15.155 4.181 36.870 1.00 0.00 ATOM 403 OE2 GLU 52 14.878 6.338 36.556 1.00 0.00 ATOM 404 O GLU 52 13.244 3.340 31.558 1.00 0.00 ATOM 405 C GLU 52 14.050 3.346 32.486 1.00 0.00 ATOM 406 N LEU 53 15.037 2.444 32.584 1.00 0.00 ATOM 407 CA LEU 53 15.159 1.399 31.617 1.00 0.00 ATOM 408 CB LEU 53 16.424 0.577 31.873 1.00 0.00 ATOM 409 CG LEU 53 17.755 1.279 31.599 1.00 0.00 ATOM 410 CD1 LEU 53 18.922 0.421 32.064 1.00 0.00 ATOM 411 CD2 LEU 53 17.926 1.548 30.112 1.00 0.00 ATOM 412 O LEU 53 13.348 0.109 30.776 1.00 0.00 ATOM 413 C LEU 53 13.941 0.544 31.762 1.00 0.00 ATOM 414 N ALA 54 13.528 0.299 33.020 1.00 0.00 ATOM 415 CA ALA 54 12.396 -0.541 33.291 1.00 0.00 ATOM 416 CB ALA 54 12.780 -1.654 34.254 1.00 0.00 ATOM 417 O ALA 54 11.596 1.475 34.257 1.00 0.00 ATOM 418 C ALA 54 11.344 0.328 33.897 1.00 0.00 ATOM 419 N PRO 55 10.150 -0.183 33.981 1.00 0.00 ATOM 420 CA PRO 55 9.093 0.638 34.486 1.00 0.00 ATOM 421 CB PRO 55 7.850 -0.247 34.372 1.00 0.00 ATOM 422 CG PRO 55 8.180 -1.216 33.287 1.00 0.00 ATOM 423 CD PRO 55 9.646 -1.518 33.428 1.00 0.00 ATOM 424 O PRO 55 9.320 0.283 36.808 1.00 0.00 ATOM 425 C PRO 55 9.233 1.105 35.898 1.00 0.00 ATOM 426 N GLU 56 9.244 2.442 36.071 1.00 0.00 ATOM 427 CA GLU 56 9.238 3.122 37.329 1.00 0.00 ATOM 428 CB GLU 56 7.815 3.206 37.886 1.00 0.00 ATOM 429 CG GLU 56 6.847 3.974 37.002 1.00 0.00 ATOM 430 CD GLU 56 5.444 4.019 37.576 1.00 0.00 ATOM 431 OE1 GLU 56 5.239 3.482 38.685 1.00 0.00 ATOM 432 OE2 GLU 56 4.551 4.592 36.917 1.00 0.00 ATOM 433 O GLU 56 9.600 2.028 39.392 1.00 0.00 ATOM 434 C GLU 56 10.078 2.423 38.330 1.00 0.00 ATOM 435 N GLU 57 11.368 2.245 37.994 1.00 0.00 ATOM 436 CA GLU 57 12.253 1.619 38.923 1.00 0.00 ATOM 437 CB GLU 57 12.396 0.129 38.606 1.00 0.00 ATOM 438 CG GLU 57 11.220 -0.718 39.064 1.00 0.00 ATOM 439 CD GLU 57 11.291 -2.142 38.547 1.00 0.00 ATOM 440 OE1 GLU 57 12.298 -2.825 38.825 1.00 0.00 ATOM 441 OE2 GLU 57 10.338 -2.573 37.864 1.00 0.00 ATOM 442 O GLU 57 14.344 2.018 37.881 1.00 0.00 ATOM 443 C GLU 57 13.578 2.300 38.799 1.00 0.00 ATOM 444 N GLU 58 13.886 3.219 39.732 1.00 0.00 ATOM 445 CA GLU 58 15.145 3.906 39.704 1.00 0.00 ATOM 446 CB GLU 58 15.159 5.041 40.730 1.00 0.00 ATOM 447 CG GLU 58 14.253 6.209 40.377 1.00 0.00 ATOM 448 CD GLU 58 14.198 7.256 41.472 1.00 0.00 ATOM 449 OE1 GLU 58 14.811 7.034 42.537 1.00 0.00 ATOM 450 OE2 GLU 58 13.541 8.298 41.265 1.00 0.00 ATOM 451 O GLU 58 17.296 2.930 39.442 1.00 0.00 ATOM 452 C GLU 58 16.216 2.915 40.031 1.00 0.00 ATOM 453 N VAL 59 15.921 2.010 40.986 1.00 0.00 ATOM 454 CA VAL 59 16.889 1.056 41.440 1.00 0.00 ATOM 455 CB VAL 59 17.313 1.331 42.895 1.00 0.00 ATOM 456 CG1 VAL 59 17.977 2.694 43.008 1.00 0.00 ATOM 457 CG2 VAL 59 16.102 1.308 43.816 1.00 0.00 ATOM 458 O VAL 59 15.098 -0.431 40.976 1.00 0.00 ATOM 459 C VAL 59 16.261 -0.296 41.350 1.00 0.00 ATOM 460 N LYS 60 17.046 -1.344 41.664 1.00 0.00 ATOM 461 CA LYS 60 16.532 -2.682 41.634 1.00 0.00 ATOM 462 CB LYS 60 17.658 -3.694 41.858 1.00 0.00 ATOM 463 CG LYS 60 17.216 -5.145 41.766 1.00 0.00 ATOM 464 CD LYS 60 18.398 -6.091 41.888 1.00 0.00 ATOM 465 CE LYS 60 17.954 -7.543 41.811 1.00 0.00 ATOM 466 NZ LYS 60 19.106 -8.482 41.913 1.00 0.00 ATOM 467 O LYS 60 15.835 -3.077 43.881 1.00 0.00 ATOM 468 C LYS 60 15.520 -2.782 42.729 1.00 0.00 ATOM 469 N LEU 61 14.258 -2.510 42.352 1.00 0.00 ATOM 470 CA LEU 61 13.110 -2.478 43.206 1.00 0.00 ATOM 471 CB LEU 61 11.904 -1.901 42.462 1.00 0.00 ATOM 472 CG LEU 61 10.607 -1.779 43.264 1.00 0.00 ATOM 473 CD1 LEU 61 10.799 -0.862 44.461 1.00 0.00 ATOM 474 CD2 LEU 61 9.493 -1.207 42.400 1.00 0.00 ATOM 475 O LEU 61 12.357 -4.013 44.833 1.00 0.00 ATOM 476 C LEU 61 12.749 -3.849 43.679 1.00 0.00 ATOM 477 N GLU 62 12.895 -4.872 42.815 1.00 0.00 ATOM 478 CA GLU 62 12.386 -6.178 43.126 1.00 0.00 ATOM 479 CB GLU 62 12.753 -7.173 42.023 1.00 0.00 ATOM 480 CG GLU 62 12.214 -8.576 42.248 1.00 0.00 ATOM 481 CD GLU 62 12.568 -9.524 41.120 1.00 0.00 ATOM 482 OE1 GLU 62 13.225 -9.080 40.155 1.00 0.00 ATOM 483 OE2 GLU 62 12.189 -10.712 41.200 1.00 0.00 ATOM 484 O GLU 62 12.245 -7.003 45.332 1.00 0.00 ATOM 485 C GLU 62 12.975 -6.637 44.412 1.00 0.00 ATOM 486 N HIS 63 14.312 -6.591 44.537 1.00 0.00 ATOM 487 CA HIS 63 14.872 -7.014 45.782 1.00 0.00 ATOM 488 CB HIS 63 16.119 -7.869 45.546 1.00 0.00 ATOM 489 CG HIS 63 15.843 -9.153 44.826 1.00 0.00 ATOM 490 CD2 HIS 63 16.189 -9.709 43.526 1.00 0.00 ATOM 491 ND1 HIS 63 15.097 -10.171 45.379 1.00 0.00 ATOM 492 CE1 HIS 63 15.024 -11.187 44.501 1.00 0.00 ATOM 493 NE2 HIS 63 15.677 -10.916 43.387 1.00 0.00 ATOM 494 O HIS 63 16.294 -5.666 47.113 1.00 0.00 ATOM 495 C HIS 63 15.220 -5.766 46.520 1.00 0.00 ATOM 496 N HIS 64 14.300 -4.784 46.527 1.00 0.00 ATOM 497 CA HIS 64 14.612 -3.548 47.175 1.00 0.00 ATOM 498 CB HIS 64 14.128 -2.365 46.334 1.00 0.00 ATOM 499 CG HIS 64 14.845 -2.218 45.028 1.00 0.00 ATOM 500 CD2 HIS 64 16.027 -1.505 44.568 1.00 0.00 ATOM 501 ND1 HIS 64 14.423 -2.840 43.873 1.00 0.00 ATOM 502 CE1 HIS 64 15.263 -2.521 42.872 1.00 0.00 ATOM 503 NE2 HIS 64 16.227 -1.720 43.282 1.00 0.00 ATOM 504 O HIS 64 13.997 -2.644 49.276 1.00 0.00 ATOM 505 C HIS 64 13.912 -3.583 48.484 1.00 0.00 ATOM 506 N HIS 65 13.221 -4.708 48.748 1.00 0.00 ATOM 507 CA HIS 65 12.539 -4.842 49.993 1.00 0.00 ATOM 508 CB HIS 65 11.833 -6.197 50.074 1.00 0.00 ATOM 509 CG HIS 65 10.882 -6.315 51.224 1.00 0.00 ATOM 510 CD2 HIS 65 9.437 -6.239 51.388 1.00 0.00 ATOM 511 ND1 HIS 65 11.300 -6.552 52.515 1.00 0.00 ATOM 512 CE1 HIS 65 10.225 -6.605 53.321 1.00 0.00 ATOM 513 NE2 HIS 65 9.104 -6.418 52.652 1.00 0.00 ATOM 514 O HIS 65 14.704 -5.240 50.863 1.00 0.00 ATOM 515 C HIS 65 13.599 -4.726 51.022 1.00 0.00 ATOM 516 N HIS 66 13.282 -4.017 52.112 1.00 0.00 ATOM 517 CA HIS 66 14.279 -3.745 53.095 1.00 0.00 ATOM 518 CB HIS 66 13.875 -2.542 53.949 1.00 0.00 ATOM 519 CG HIS 66 14.969 -2.038 54.838 1.00 0.00 ATOM 520 CD2 HIS 66 15.882 -0.904 54.820 1.00 0.00 ATOM 521 ND1 HIS 66 15.337 -2.678 56.002 1.00 0.00 ATOM 522 CE1 HIS 66 16.340 -1.993 56.580 1.00 0.00 ATOM 523 NE2 HIS 66 16.672 -0.927 55.876 1.00 0.00 ATOM 524 O HIS 66 13.495 -5.447 54.556 1.00 0.00 ATOM 525 C HIS 66 14.448 -4.924 53.980 1.00 0.00 ATOM 526 N HIS 67 15.710 -5.372 54.076 1.00 0.00 ATOM 527 CA HIS 67 16.072 -6.436 54.951 1.00 0.00 ATOM 528 CB HIS 67 16.704 -7.586 54.164 1.00 0.00 ATOM 529 CG HIS 67 15.802 -8.173 53.123 1.00 0.00 ATOM 530 CD2 HIS 67 15.599 -7.977 51.695 1.00 0.00 ATOM 531 ND1 HIS 67 14.873 -9.150 53.409 1.00 0.00 ATOM 532 CE1 HIS 67 14.218 -9.474 52.280 1.00 0.00 ATOM 533 NE2 HIS 67 14.648 -8.774 51.248 1.00 0.00 ATOM 534 O HIS 67 17.929 -5.063 55.488 1.00 0.00 ATOM 535 C HIS 67 17.046 -5.817 55.896 1.00 0.00 ATOM 536 N HIS 68 16.896 -6.102 57.199 1.00 0.00 ATOM 537 CA HIS 68 17.753 -5.452 58.140 1.00 0.00 ATOM 538 CB HIS 68 17.405 -5.881 59.567 1.00 0.00 ATOM 539 CG HIS 68 16.023 -5.497 59.994 1.00 0.00 ATOM 540 CD2 HIS 68 14.793 -6.213 60.298 1.00 0.00 ATOM 541 ND1 HIS 68 15.644 -4.187 60.197 1.00 0.00 ATOM 542 CE1 HIS 68 14.353 -4.159 60.572 1.00 0.00 ATOM 543 NE2 HIS 68 13.836 -5.371 60.635 1.00 0.00 ATOM 544 O HIS 68 20.024 -4.951 57.580 1.00 0.00 ATOM 545 C HIS 68 19.183 -5.863 57.799 1.00 0.00 ENDMDL