EXPDTA T0348TS212_1-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0348TS212_1-scwrl ATOM 1 N MET A 1 -18.980 -0.838 -6.675 1.00 0.00 ATOM 2 CA MET A 1 -19.280 0.162 -7.723 1.00 0.00 ATOM 3 CB MET A 1 -20.754 0.090 -8.126 1.00 0.00 ATOM 4 CG MET A 1 -21.147 -1.209 -8.811 1.00 0.00 ATOM 5 SD MET A 1 -20.263 -1.475 -10.360 1.00 0.00 ATOM 6 CE MET A 1 -20.990 -0.201 -11.388 1.00 0.00 ATOM 7 O MET A 1 -17.972 1.770 -6.562 1.00 0.00 ATOM 8 C MET A 1 -18.989 1.531 -7.212 1.00 0.00 ATOM 9 N ASP A 2 -19.889 2.482 -7.511 1.00 0.00 ATOM 10 CA ASP A 2 -19.659 3.813 -7.049 1.00 0.00 ATOM 11 CB ASP A 2 -20.042 4.828 -8.128 1.00 0.00 ATOM 12 CG ASP A 2 -19.782 6.259 -7.699 1.00 0.00 ATOM 13 OD1 ASP A 2 -19.383 6.467 -6.534 1.00 0.00 ATOM 14 OD2 ASP A 2 -19.978 7.172 -8.529 1.00 0.00 ATOM 15 O ASP A 2 -21.715 4.131 -5.907 1.00 0.00 ATOM 16 C ASP A 2 -20.491 4.042 -5.834 1.00 0.00 ATOM 17 N ALA A 3 -19.826 4.101 -4.667 1.00 0.00 ATOM 18 CA ALA A 3 -20.489 4.413 -3.439 1.00 0.00 ATOM 19 CB ALA A 3 -21.165 3.174 -2.872 1.00 0.00 ATOM 20 O ALA A 3 -18.276 4.453 -2.610 1.00 0.00 ATOM 21 C ALA A 3 -19.417 4.904 -2.527 1.00 0.00 ATOM 22 N LYS A 4 -19.747 5.864 -1.642 1.00 0.00 ATOM 23 CA LYS A 4 -18.753 6.333 -0.723 1.00 0.00 ATOM 24 CB LYS A 4 -19.148 7.699 -0.158 1.00 0.00 ATOM 25 CG LYS A 4 -18.117 8.303 0.782 1.00 0.00 ATOM 26 CD LYS A 4 -18.544 9.682 1.257 1.00 0.00 ATOM 27 CE LYS A 4 -17.513 10.288 2.195 1.00 0.00 ATOM 28 NZ LYS A 4 -17.919 11.639 2.670 1.00 0.00 ATOM 29 O LYS A 4 -19.740 4.933 0.905 1.00 0.00 ATOM 30 C LYS A 4 -18.710 5.297 0.341 1.00 0.00 ATOM 31 N PHE A 5 -17.513 4.769 0.628 1.00 0.00 ATOM 32 CA PHE A 5 -17.450 3.778 1.648 1.00 0.00 ATOM 33 CB PHE A 5 -18.057 2.463 1.155 1.00 0.00 ATOM 34 CG PHE A 5 -17.364 1.888 -0.047 1.00 0.00 ATOM 35 CD1 PHE A 5 -16.306 1.009 0.100 1.00 0.00 ATOM 36 CD2 PHE A 5 -17.771 2.228 -1.326 1.00 0.00 ATOM 37 CE1 PHE A 5 -15.669 0.480 -1.007 1.00 0.00 ATOM 38 CE2 PHE A 5 -17.134 1.699 -2.433 1.00 0.00 ATOM 39 CZ PHE A 5 -16.087 0.829 -2.277 1.00 0.00 ATOM 40 O PHE A 5 -15.224 4.484 1.396 1.00 0.00 ATOM 41 C PHE A 5 -15.995 3.668 1.901 1.00 0.00 ATOM 42 N LEU A 6 -15.571 2.699 2.728 1.00 0.00 ATOM 43 CA LEU A 6 -14.153 2.607 2.821 1.00 0.00 ATOM 44 CB LEU A 6 -13.751 1.577 3.879 1.00 0.00 ATOM 45 CG LEU A 6 -12.251 1.419 4.136 1.00 0.00 ATOM 46 CD1 LEU A 6 -11.670 2.694 4.727 1.00 0.00 ATOM 47 CD2 LEU A 6 -11.989 0.281 5.110 1.00 0.00 ATOM 48 O LEU A 6 -14.105 1.109 0.970 1.00 0.00 ATOM 49 C LEU A 6 -13.752 2.188 1.447 1.00 0.00 ATOM 50 N GLU A 7 -13.007 3.073 0.768 1.00 0.00 ATOM 51 CA GLU A 7 -12.705 2.853 -0.609 1.00 0.00 ATOM 52 CB GLU A 7 -12.104 4.114 -1.234 1.00 0.00 ATOM 53 CG GLU A 7 -13.079 5.275 -1.347 1.00 0.00 ATOM 54 CD GLU A 7 -12.464 6.487 -2.019 1.00 0.00 ATOM 55 OE1 GLU A 7 -11.266 6.431 -2.365 1.00 0.00 ATOM 56 OE2 GLU A 7 -13.182 7.494 -2.199 1.00 0.00 ATOM 57 O GLU A 7 -11.115 1.382 0.306 1.00 0.00 ATOM 58 C GLU A 7 -11.731 1.743 -0.694 1.00 0.00 ATOM 59 N ILE A 8 -11.615 1.159 -1.903 1.00 0.00 ATOM 60 CA ILE A 8 -10.701 0.085 -2.130 1.00 0.00 ATOM 61 CB ILE A 8 -10.585 -0.250 -3.629 1.00 0.00 ATOM 62 CG1 ILE A 8 -11.906 -0.816 -4.153 1.00 0.00 ATOM 63 CG2 ILE A 8 -9.492 -1.283 -3.860 1.00 0.00 ATOM 64 CD1 ILE A 8 -11.925 -1.036 -5.649 1.00 0.00 ATOM 65 O ILE A 8 -8.978 1.668 -1.770 1.00 0.00 ATOM 66 C ILE A 8 -9.383 0.518 -1.612 1.00 0.00 ATOM 67 N LEU A 9 -8.714 -0.409 -0.915 1.00 0.00 ATOM 68 CA LEU A 9 -7.445 -0.123 -0.347 1.00 0.00 ATOM 69 CB LEU A 9 -7.401 -0.567 1.117 1.00 0.00 ATOM 70 CG LEU A 9 -8.422 0.083 2.053 1.00 0.00 ATOM 71 CD1 LEU A 9 -8.324 -0.511 3.450 1.00 0.00 ATOM 72 CD2 LEU A 9 -8.179 1.581 2.156 1.00 0.00 ATOM 73 O LEU A 9 -6.600 -2.027 -1.494 1.00 0.00 ATOM 74 C LEU A 9 -6.427 -0.867 -1.135 1.00 0.00 ATOM 75 N VAL A 10 -5.338 -0.172 -1.461 1.00 0.00 ATOM 76 CA VAL A 10 -4.244 -0.743 -2.166 1.00 0.00 ATOM 77 CB VAL A 10 -4.570 -0.929 -3.660 1.00 0.00 ATOM 78 CG1 VAL A 10 -5.714 -1.916 -3.836 1.00 0.00 ATOM 79 CG2 VAL A 10 -4.978 0.396 -4.285 1.00 0.00 ATOM 80 O VAL A 10 -3.466 1.245 -1.211 1.00 0.00 ATOM 81 C VAL A 10 -3.208 0.280 -1.924 1.00 0.00 ATOM 82 N CYS A 11 -1.990 0.101 -2.440 1.00 0.00 ATOM 83 CA CYS A 11 -1.148 1.237 -2.262 1.00 0.00 ATOM 84 CB CYS A 11 0.323 0.817 -2.248 1.00 0.00 ATOM 85 SG CYS A 11 0.778 -0.265 -0.873 1.00 0.00 ATOM 86 O CYS A 11 -1.054 1.808 -4.552 1.00 0.00 ATOM 87 C CYS A 11 -1.455 2.110 -3.426 1.00 0.00 ATOM 88 N PRO A 12 -2.200 3.158 -3.222 1.00 0.00 ATOM 89 CA PRO A 12 -2.519 4.041 -4.303 1.00 0.00 ATOM 90 CB PRO A 12 -3.364 5.136 -3.649 1.00 0.00 ATOM 91 CG PRO A 12 -2.999 5.077 -2.204 1.00 0.00 ATOM 92 CD PRO A 12 -2.721 3.631 -1.903 1.00 0.00 ATOM 93 O PRO A 12 -1.185 4.875 -6.037 1.00 0.00 ATOM 94 C PRO A 12 -1.229 4.549 -4.854 1.00 0.00 ATOM 95 N LEU A 13 -0.182 4.650 -4.007 1.00 0.00 ATOM 96 CA LEU A 13 1.070 5.203 -4.440 1.00 0.00 ATOM 97 CB LEU A 13 2.033 5.338 -3.259 1.00 0.00 ATOM 98 CG LEU A 13 1.682 6.400 -2.215 1.00 0.00 ATOM 99 CD1 LEU A 13 2.607 6.299 -1.012 1.00 0.00 ATOM 100 CD2 LEU A 13 1.816 7.796 -2.802 1.00 0.00 ATOM 101 O LEU A 13 2.095 4.753 -6.536 1.00 0.00 ATOM 102 C LEU A 13 1.680 4.302 -5.467 1.00 0.00 ATOM 103 N CYS A 14 1.727 2.992 -5.179 1.00 0.00 ATOM 104 CA CYS A 14 2.400 2.098 -6.070 1.00 0.00 ATOM 105 CB CYS A 14 3.650 1.519 -5.405 1.00 0.00 ATOM 106 SG CYS A 14 4.900 2.750 -4.965 1.00 0.00 ATOM 107 O CYS A 14 0.267 1.229 -6.624 1.00 0.00 ATOM 108 C CYS A 14 1.456 1.001 -6.410 1.00 0.00 ATOM 109 N LYS A 15 1.984 -0.228 -6.542 1.00 0.00 ATOM 110 CA LYS A 15 1.123 -1.347 -6.776 1.00 0.00 ATOM 111 CB LYS A 15 1.067 -1.677 -8.269 1.00 0.00 ATOM 112 CG LYS A 15 0.513 -0.555 -9.132 1.00 0.00 ATOM 113 CD LYS A 15 0.491 -0.948 -10.600 1.00 0.00 ATOM 114 CE LYS A 15 -0.113 0.152 -11.457 1.00 0.00 ATOM 115 NZ LYS A 15 -0.278 -0.274 -12.874 1.00 0.00 ATOM 116 O LYS A 15 2.824 -2.485 -5.575 1.00 0.00 ATOM 117 C LYS A 15 1.677 -2.504 -6.020 1.00 0.00 ATOM 118 N GLY A 16 0.865 -3.562 -5.862 1.00 0.00 ATOM 119 CA GLY A 16 1.313 -4.697 -5.120 1.00 0.00 ATOM 120 O GLY A 16 -0.311 -3.919 -3.558 1.00 0.00 ATOM 121 C GLY A 16 0.449 -4.818 -3.921 1.00 0.00 ATOM 122 N PRO A 17 0.556 -5.962 -3.322 1.00 0.00 ATOM 123 CA PRO A 17 -0.251 -6.285 -2.189 1.00 0.00 ATOM 124 CB PRO A 17 -0.090 -7.799 -2.039 1.00 0.00 ATOM 125 CG PRO A 17 1.257 -8.090 -2.611 1.00 0.00 ATOM 126 CD PRO A 17 1.435 -7.140 -3.763 1.00 0.00 ATOM 127 O PRO A 17 1.374 -5.149 -0.924 1.00 0.00 ATOM 128 C PRO A 17 0.219 -5.567 -0.982 1.00 0.00 ATOM 129 N LEU A 18 -0.692 -5.395 -0.016 1.00 0.00 ATOM 130 CA LEU A 18 -0.353 -4.771 1.216 1.00 0.00 ATOM 131 CB LEU A 18 -1.248 -3.556 1.465 1.00 0.00 ATOM 132 CG LEU A 18 -0.841 -2.258 0.764 1.00 0.00 ATOM 133 CD1 LEU A 18 -0.935 -2.412 -0.747 1.00 0.00 ATOM 134 CD2 LEU A 18 -1.750 -1.113 1.183 1.00 0.00 ATOM 135 O LEU A 18 -1.252 -6.813 1.982 1.00 0.00 ATOM 136 C LEU A 18 -0.570 -5.824 2.244 1.00 0.00 ATOM 137 N VAL A 19 0.030 -5.673 3.435 1.00 0.00 ATOM 138 CA VAL A 19 -0.163 -6.705 4.405 1.00 0.00 ATOM 139 CB VAL A 19 1.180 -7.260 4.913 1.00 0.00 ATOM 140 CG1 VAL A 19 0.950 -8.300 5.999 1.00 0.00 ATOM 141 CG2 VAL A 19 1.950 -7.915 3.776 1.00 0.00 ATOM 142 O VAL A 19 -0.797 -4.966 5.892 1.00 0.00 ATOM 143 C VAL A 19 -0.918 -6.141 5.559 1.00 0.00 ATOM 144 N PHE A 20 -1.760 -6.987 6.178 1.00 0.00 ATOM 145 CA PHE A 20 -2.510 -6.614 7.339 1.00 0.00 ATOM 146 CB PHE A 20 -3.915 -7.218 7.286 1.00 0.00 ATOM 147 CG PHE A 20 -4.775 -6.658 6.190 1.00 0.00 ATOM 148 CD1 PHE A 20 -4.883 -7.310 4.974 1.00 0.00 ATOM 149 CD2 PHE A 20 -5.476 -5.479 6.374 1.00 0.00 ATOM 150 CE1 PHE A 20 -5.675 -6.795 3.965 1.00 0.00 ATOM 151 CE2 PHE A 20 -6.267 -4.964 5.365 1.00 0.00 ATOM 152 CZ PHE A 20 -6.368 -5.616 4.165 1.00 0.00 ATOM 153 O PHE A 20 -1.088 -8.176 8.420 1.00 0.00 ATOM 154 C PHE A 20 -1.752 -7.145 8.512 1.00 0.00 ATOM 155 N ASP A 21 -1.785 -6.411 9.639 1.00 0.00 ATOM 156 CA ASP A 21 -1.132 -6.847 10.833 1.00 0.00 ATOM 157 CB ASP A 21 0.071 -5.954 11.142 1.00 0.00 ATOM 158 CG ASP A 21 0.911 -6.484 12.288 1.00 0.00 ATOM 159 OD1 ASP A 21 0.325 -6.932 13.296 1.00 0.00 ATOM 160 OD2 ASP A 21 2.154 -6.451 12.178 1.00 0.00 ATOM 161 O ASP A 21 -2.458 -5.661 12.418 1.00 0.00 ATOM 162 C ASP A 21 -2.166 -6.747 11.911 1.00 0.00 ATOM 163 N LYS A 22 -2.760 -7.897 12.271 1.00 0.00 ATOM 164 CA LYS A 22 -3.834 -8.012 13.216 1.00 0.00 ATOM 165 CB LYS A 22 -4.309 -9.463 13.313 1.00 0.00 ATOM 166 CG LYS A 22 -5.046 -9.959 12.080 1.00 0.00 ATOM 167 CD LYS A 22 -5.490 -11.403 12.246 1.00 0.00 ATOM 168 CE LYS A 22 -6.206 -11.907 11.003 1.00 0.00 ATOM 169 NZ LYS A 22 -6.618 -13.331 11.138 1.00 0.00 ATOM 170 O LYS A 22 -4.099 -6.883 15.288 1.00 0.00 ATOM 171 C LYS A 22 -3.371 -7.565 14.567 1.00 0.00 ATOM 172 N SER A 23 -2.148 -7.967 14.960 1.00 0.00 ATOM 173 CA SER A 23 -1.636 -7.605 16.251 1.00 0.00 ATOM 174 CB SER A 23 -0.347 -8.373 16.551 1.00 0.00 ATOM 175 OG SER A 23 -0.600 -9.761 16.685 1.00 0.00 ATOM 176 O SER A 23 -1.695 -5.443 17.230 1.00 0.00 ATOM 177 C SER A 23 -1.346 -6.139 16.277 1.00 0.00 ATOM 178 N LYS A 24 -0.694 -5.649 15.207 1.00 0.00 ATOM 179 CA LYS A 24 -0.274 -4.286 15.057 1.00 0.00 ATOM 180 CB LYS A 24 0.599 -4.128 13.810 1.00 0.00 ATOM 181 CG LYS A 24 1.164 -2.730 13.621 1.00 0.00 ATOM 182 CD LYS A 24 2.190 -2.399 14.691 1.00 0.00 ATOM 183 CE LYS A 24 2.842 -1.050 14.434 1.00 0.00 ATOM 184 NZ LYS A 24 3.885 -0.735 15.449 1.00 0.00 ATOM 185 O LYS A 24 -1.407 -2.240 15.343 1.00 0.00 ATOM 186 C LYS A 24 -1.458 -3.393 14.922 1.00 0.00 ATOM 187 N ASP A 25 -2.570 -3.924 14.371 1.00 0.00 ATOM 188 CA ASP A 25 -3.724 -3.126 14.075 1.00 0.00 ATOM 189 CB ASP A 25 -4.152 -2.326 15.307 1.00 0.00 ATOM 190 CG ASP A 25 -4.592 -3.213 16.454 1.00 0.00 ATOM 191 OD1 ASP A 25 -5.464 -4.080 16.234 1.00 0.00 ATOM 192 OD2 ASP A 25 -4.065 -3.042 17.573 1.00 0.00 ATOM 193 O ASP A 25 -3.614 -1.028 12.949 1.00 0.00 ATOM 194 C ASP A 25 -3.306 -2.219 12.967 1.00 0.00 ATOM 195 N GLU A 26 -2.557 -2.783 12.001 1.00 0.00 ATOM 196 CA GLU A 26 -2.049 -1.975 10.935 1.00 0.00 ATOM 197 CB GLU A 26 -0.559 -1.695 11.138 1.00 0.00 ATOM 198 CG GLU A 26 -0.010 -0.583 10.259 1.00 0.00 ATOM 199 CD GLU A 26 1.477 -0.365 10.454 1.00 0.00 ATOM 200 OE1 GLU A 26 2.096 -1.139 11.216 1.00 0.00 ATOM 201 OE2 GLU A 26 2.024 0.578 9.846 1.00 0.00 ATOM 202 O GLU A 26 -2.475 -3.910 9.641 1.00 0.00 ATOM 203 C GLU A 26 -2.244 -2.705 9.642 1.00 0.00 ATOM 204 N LEU A 27 -2.229 -1.977 8.504 1.00 0.00 ATOM 205 CA LEU A 27 -2.229 -2.594 7.205 1.00 0.00 ATOM 206 CB LEU A 27 -3.614 -2.491 6.563 1.00 0.00 ATOM 207 CG LEU A 27 -3.824 -3.287 5.273 1.00 0.00 ATOM 208 CD1 LEU A 27 -5.304 -3.379 4.934 1.00 0.00 ATOM 209 CD2 LEU A 27 -3.109 -2.622 4.108 1.00 0.00 ATOM 210 O LEU A 27 -1.392 -0.630 6.202 1.00 0.00 ATOM 211 C LEU A 27 -1.202 -1.816 6.441 1.00 0.00 ATOM 212 N ILE A 28 -0.103 -2.453 5.995 1.00 0.00 ATOM 213 CA ILE A 28 0.962 -1.678 5.426 1.00 0.00 ATOM 214 CB ILE A 28 2.256 -1.807 6.250 1.00 0.00 ATOM 215 CG1 ILE A 28 2.717 -3.265 6.295 1.00 0.00 ATOM 216 CG2 ILE A 28 2.030 -1.329 7.676 1.00 0.00 ATOM 217 CD1 ILE A 28 4.086 -3.454 6.911 1.00 0.00 ATOM 218 O ILE A 28 0.982 -3.247 3.647 1.00 0.00 ATOM 219 C ILE A 28 1.270 -2.120 4.037 1.00 0.00 ATOM 220 N CYS A 29 1.838 -1.197 3.233 1.00 0.00 ATOM 221 CA CYS A 29 2.252 -1.591 1.915 1.00 0.00 ATOM 222 CB CYS A 29 2.564 -0.360 1.061 1.00 0.00 ATOM 223 SG CYS A 29 1.132 0.684 0.706 1.00 0.00 ATOM 224 O CYS A 29 4.297 -2.127 2.956 1.00 0.00 ATOM 225 C CYS A 29 3.468 -2.424 2.100 1.00 0.00 ATOM 226 N LYS A 30 3.580 -3.535 1.349 1.00 0.00 ATOM 227 CA LYS A 30 4.779 -4.308 1.469 1.00 0.00 ATOM 228 CB LYS A 30 4.614 -5.664 0.780 1.00 0.00 ATOM 229 CG LYS A 30 5.820 -6.578 0.912 1.00 0.00 ATOM 230 CD LYS A 30 5.554 -7.938 0.286 1.00 0.00 ATOM 231 CE LYS A 30 6.769 -8.844 0.396 1.00 0.00 ATOM 232 NZ LYS A 30 6.530 -10.173 -0.231 1.00 0.00 ATOM 233 O LYS A 30 7.028 -3.543 1.345 1.00 0.00 ATOM 234 C LYS A 30 5.914 -3.565 0.824 1.00 0.00 ATOM 235 N GLY A 31 5.654 -2.974 -0.365 1.00 0.00 ATOM 236 CA GLY A 31 6.685 -2.334 -1.142 1.00 0.00 ATOM 237 O GLY A 31 8.399 -0.903 -0.337 1.00 0.00 ATOM 238 C GLY A 31 7.197 -1.065 -0.536 1.00 0.00 ATOM 239 N ASP A 32 6.293 -0.127 -0.210 1.00 0.00 ATOM 240 CA ASP A 32 6.724 1.131 0.323 1.00 0.00 ATOM 241 CB ASP A 32 5.852 2.268 -0.215 1.00 0.00 ATOM 242 CG ASP A 32 6.419 3.637 0.105 1.00 0.00 ATOM 243 OD1 ASP A 32 7.547 3.932 -0.342 1.00 0.00 ATOM 244 OD2 ASP A 32 5.734 4.415 0.802 1.00 0.00 ATOM 245 O ASP A 32 7.010 0.061 2.422 1.00 0.00 ATOM 246 C ASP A 32 6.594 1.030 1.792 1.00 0.00 ATOM 247 N ARG A 33 6.051 2.110 2.365 1.00 0.00 ATOM 248 CA ARG A 33 5.724 2.159 3.747 1.00 0.00 ATOM 249 CB ARG A 33 6.698 3.071 4.496 1.00 0.00 ATOM 250 CG ARG A 33 6.425 3.179 5.987 1.00 0.00 ATOM 251 CD ARG A 33 7.456 4.058 6.675 1.00 0.00 ATOM 252 NE ARG A 33 7.197 4.188 8.107 1.00 0.00 ATOM 253 CZ ARG A 33 7.983 4.848 8.952 1.00 0.00 ATOM 254 NH1 ARG A 33 7.667 4.913 10.238 1.00 0.00 ATOM 255 NH2 ARG A 33 9.082 5.443 8.508 1.00 0.00 ATOM 256 O ARG A 33 4.046 3.689 3.080 1.00 0.00 ATOM 257 C ARG A 33 4.337 2.700 3.746 1.00 0.00 ATOM 258 N LEU A 34 3.411 2.050 4.459 1.00 0.00 ATOM 259 CA LEU A 34 2.085 2.584 4.428 1.00 0.00 ATOM 260 CB LEU A 34 1.153 1.659 3.643 1.00 0.00 ATOM 261 CG LEU A 34 1.461 1.492 2.153 1.00 0.00 ATOM 262 CD1 LEU A 34 0.569 0.426 1.536 1.00 0.00 ATOM 263 CD2 LEU A 34 1.229 2.797 1.407 1.00 0.00 ATOM 264 O LEU A 34 2.342 3.024 6.721 1.00 0.00 ATOM 265 C LEU A 34 1.576 2.718 5.818 1.00 0.00 ATOM 266 N ALA A 35 0.272 2.425 6.001 1.00 0.00 ATOM 267 CA ALA A 35 -0.540 2.647 7.173 1.00 0.00 ATOM 268 CB ALA A 35 -1.793 1.786 7.121 1.00 0.00 ATOM 269 O ALA A 35 1.175 1.647 8.491 1.00 0.00 ATOM 270 C ALA A 35 0.150 2.323 8.465 1.00 0.00 ATOM 271 N PHE A 36 -0.429 2.863 9.573 1.00 0.00 ATOM 272 CA PHE A 36 0.110 2.847 10.907 1.00 0.00 ATOM 273 CB PHE A 36 0.619 4.236 11.296 1.00 0.00 ATOM 274 CG PHE A 36 1.731 4.741 10.421 1.00 0.00 ATOM 275 CD1 PHE A 36 1.480 5.666 9.422 1.00 0.00 ATOM 276 CD2 PHE A 36 3.028 4.291 10.597 1.00 0.00 ATOM 277 CE1 PHE A 36 2.503 6.130 8.618 1.00 0.00 ATOM 278 CE2 PHE A 36 4.051 4.756 9.792 1.00 0.00 ATOM 279 CZ PHE A 36 3.793 5.671 8.806 1.00 0.00 ATOM 280 O PHE A 36 -2.023 1.962 11.521 1.00 0.00 ATOM 281 C PHE A 36 -0.949 2.433 11.889 1.00 0.00 ATOM 282 N PRO A 37 -0.656 2.581 13.156 1.00 0.00 ATOM 283 CA PRO A 37 -1.597 2.168 14.155 1.00 0.00 ATOM 284 CB PRO A 37 -0.879 2.447 15.477 1.00 0.00 ATOM 285 CG PRO A 37 0.571 2.402 15.131 1.00 0.00 ATOM 286 CD PRO A 37 0.692 3.007 13.761 1.00 0.00 ATOM 287 O PRO A 37 -2.990 4.079 14.006 1.00 0.00 ATOM 288 C PRO A 37 -2.918 2.860 14.171 1.00 0.00 ATOM 289 N ILE A 38 -3.977 2.057 14.393 1.00 0.00 ATOM 290 CA ILE A 38 -5.328 2.518 14.451 1.00 0.00 ATOM 291 CB ILE A 38 -6.282 1.563 13.710 1.00 0.00 ATOM 292 CG1 ILE A 38 -5.887 1.452 12.236 1.00 0.00 ATOM 293 CG2 ILE A 38 -7.713 2.074 13.788 1.00 0.00 ATOM 294 CD1 ILE A 38 -6.635 0.373 11.483 1.00 0.00 ATOM 295 O ILE A 38 -5.793 1.567 16.591 1.00 0.00 ATOM 296 C ILE A 38 -5.684 2.580 15.902 1.00 0.00 ATOM 297 N LYS A 39 -5.849 3.804 16.427 1.00 0.00 ATOM 298 CA LYS A 39 -6.134 3.918 17.821 1.00 0.00 ATOM 299 CB LYS A 39 -4.850 4.177 18.611 1.00 0.00 ATOM 300 CG LYS A 39 -3.810 3.075 18.485 1.00 0.00 ATOM 301 CD LYS A 39 -2.551 3.411 19.267 1.00 0.00 ATOM 302 CE LYS A 39 -1.540 2.278 19.199 1.00 0.00 ATOM 303 NZ LYS A 39 -0.368 2.527 20.083 1.00 0.00 ATOM 304 O LYS A 39 -7.366 5.739 16.957 1.00 0.00 ATOM 305 C LYS A 39 -7.075 5.066 17.945 1.00 0.00 ATOM 306 N ASP A 40 -7.586 5.331 19.158 1.00 0.00 ATOM 307 CA ASP A 40 -8.537 6.394 19.269 1.00 0.00 ATOM 308 CB ASP A 40 -9.206 6.373 20.645 1.00 0.00 ATOM 309 CG ASP A 40 -8.245 6.721 21.765 1.00 0.00 ATOM 310 OD1 ASP A 40 -7.146 7.233 21.467 1.00 0.00 ATOM 311 OD2 ASP A 40 -8.591 6.481 22.941 1.00 0.00 ATOM 312 O ASP A 40 -6.617 7.735 18.880 1.00 0.00 ATOM 313 C ASP A 40 -7.829 7.689 19.085 1.00 0.00 ATOM 314 N GLY A 41 -8.602 8.788 19.123 1.00 0.00 ATOM 315 CA GLY A 41 -8.028 10.064 18.845 1.00 0.00 ATOM 316 O GLY A 41 -8.696 9.468 16.659 1.00 0.00 ATOM 317 C GLY A 41 -7.900 10.088 17.362 1.00 0.00 ATOM 318 N ILE A 42 -6.895 10.813 16.840 1.00 0.00 ATOM 319 CA ILE A 42 -6.711 10.813 15.420 1.00 0.00 ATOM 320 CB ILE A 42 -6.769 12.240 14.843 1.00 0.00 ATOM 321 CG1 ILE A 42 -8.137 12.870 15.115 1.00 0.00 ATOM 322 CG2 ILE A 42 -6.539 12.216 13.340 1.00 0.00 ATOM 323 CD1 ILE A 42 -8.199 14.350 14.809 1.00 0.00 ATOM 324 O ILE A 42 -4.424 10.467 15.956 1.00 0.00 ATOM 325 C ILE A 42 -5.362 10.210 15.198 1.00 0.00 ATOM 326 N PRO A 43 -5.252 9.366 14.211 1.00 0.00 ATOM 327 CA PRO A 43 -3.995 8.728 13.935 1.00 0.00 ATOM 328 CB PRO A 43 -4.361 7.584 12.987 1.00 0.00 ATOM 329 CG PRO A 43 -5.587 8.060 12.283 1.00 0.00 ATOM 330 CD PRO A 43 -6.366 8.854 13.294 1.00 0.00 ATOM 331 O PRO A 43 -3.472 10.674 12.720 1.00 0.00 ATOM 332 C PRO A 43 -3.037 9.681 13.297 1.00 0.00 ATOM 333 N MET A 44 -1.719 9.419 13.402 1.00 0.00 ATOM 334 CA MET A 44 -0.810 10.292 12.721 1.00 0.00 ATOM 335 CB MET A 44 0.638 9.890 13.010 1.00 0.00 ATOM 336 CG MET A 44 1.674 10.823 12.406 1.00 0.00 ATOM 337 SD MET A 44 3.363 10.349 12.820 1.00 0.00 ATOM 338 CE MET A 44 3.463 10.903 14.521 1.00 0.00 ATOM 339 O MET A 44 -1.139 9.000 10.775 1.00 0.00 ATOM 340 C MET A 44 -1.151 10.119 11.285 1.00 0.00 ATOM 341 N MET A 45 -1.485 11.216 10.585 1.00 0.00 ATOM 342 CA MET A 45 -1.888 11.006 9.232 1.00 0.00 ATOM 343 CB MET A 45 -3.305 10.433 9.178 1.00 0.00 ATOM 344 CG MET A 45 -4.374 11.367 9.721 1.00 0.00 ATOM 345 SD MET A 45 -6.028 10.653 9.642 1.00 0.00 ATOM 346 CE MET A 45 -6.311 10.650 7.873 1.00 0.00 ATOM 347 O MET A 45 -1.720 13.370 9.141 1.00 0.00 ATOM 348 C MET A 45 -1.854 12.314 8.523 1.00 0.00 ATOM 349 N LEU A 46 -1.964 12.257 7.182 1.00 0.00 ATOM 350 CA LEU A 46 -1.994 13.442 6.384 1.00 0.00 ATOM 351 CB LEU A 46 -2.062 13.085 4.898 1.00 0.00 ATOM 352 CG LEU A 46 -0.806 12.452 4.295 1.00 0.00 ATOM 353 CD1 LEU A 46 -1.070 11.985 2.871 1.00 0.00 ATOM 354 CD2 LEU A 46 0.338 13.454 4.262 1.00 0.00 ATOM 355 O LEU A 46 -3.173 15.400 7.004 1.00 0.00 ATOM 356 C LEU A 46 -3.215 14.187 6.805 1.00 0.00 ATOM 357 N GLU A 47 -4.344 13.467 6.966 1.00 0.00 ATOM 358 CA GLU A 47 -5.548 14.106 7.412 1.00 0.00 ATOM 359 CB GLU A 47 -6.720 13.737 6.500 1.00 0.00 ATOM 360 CG GLU A 47 -6.591 14.264 5.080 1.00 0.00 ATOM 361 CD GLU A 47 -7.803 13.943 4.228 1.00 0.00 ATOM 362 OE1 GLU A 47 -8.718 13.258 4.730 1.00 0.00 ATOM 363 OE2 GLU A 47 -7.837 14.377 3.057 1.00 0.00 ATOM 364 O GLU A 47 -5.530 12.471 9.127 1.00 0.00 ATOM 365 C GLU A 47 -5.800 13.625 8.800 1.00 0.00 ATOM 366 N SER A 48 -6.302 14.523 9.667 1.00 0.00 ATOM 367 CA SER A 48 -6.578 14.133 11.013 1.00 0.00 ATOM 368 CB SER A 48 -5.996 15.151 11.996 1.00 0.00 ATOM 369 OG SER A 48 -4.587 15.235 11.870 1.00 0.00 ATOM 370 O SER A 48 -8.696 15.050 11.534 1.00 0.00 ATOM 371 C SER A 48 -8.055 14.070 11.156 1.00 0.00 ATOM 372 N GLU A 49 -8.624 12.891 10.847 1.00 0.00 ATOM 373 CA GLU A 49 -10.026 12.675 11.020 1.00 0.00 ATOM 374 CB GLU A 49 -10.822 13.463 9.978 1.00 0.00 ATOM 375 CG GLU A 49 -12.330 13.326 10.115 1.00 0.00 ATOM 376 CD GLU A 49 -13.086 14.229 9.160 1.00 0.00 ATOM 377 OE1 GLU A 49 -12.432 15.006 8.434 1.00 0.00 ATOM 378 OE2 GLU A 49 -14.333 14.159 9.138 1.00 0.00 ATOM 379 O GLU A 49 -10.093 10.664 9.759 1.00 0.00 ATOM 380 C GLU A 49 -10.251 11.209 10.851 1.00 0.00 ATOM 381 N ALA A 50 -10.584 10.520 11.957 1.00 0.00 ATOM 382 CA ALA A 50 -10.842 9.114 11.889 1.00 0.00 ATOM 383 CB ALA A 50 -10.996 8.535 13.287 1.00 0.00 ATOM 384 O ALA A 50 -12.178 8.052 10.230 1.00 0.00 ATOM 385 C ALA A 50 -12.104 8.898 11.119 1.00 0.00 ATOM 386 N ARG A 51 -13.142 9.688 11.443 1.00 0.00 ATOM 387 CA ARG A 51 -14.395 9.538 10.767 1.00 0.00 ATOM 388 CB ARG A 51 -15.134 8.299 11.276 1.00 0.00 ATOM 389 CG ARG A 51 -15.575 8.392 12.728 1.00 0.00 ATOM 390 CD ARG A 51 -16.244 7.106 13.186 1.00 0.00 ATOM 391 NE ARG A 51 -16.691 7.186 14.574 1.00 0.00 ATOM 392 CZ ARG A 51 -17.226 6.172 15.246 1.00 0.00 ATOM 393 NH1 ARG A 51 -17.604 6.337 16.506 1.00 0.00 ATOM 394 NH2 ARG A 51 -17.382 4.995 14.656 1.00 0.00 ATOM 395 O ARG A 51 -14.606 11.786 11.476 1.00 0.00 ATOM 396 C ARG A 51 -15.170 10.774 11.065 1.00 0.00 ATOM 397 N GLU A 52 -16.497 10.736 10.845 1.00 0.00 ATOM 398 CA GLU A 52 -17.238 11.926 11.131 1.00 0.00 ATOM 399 CB GLU A 52 -18.704 11.753 10.730 1.00 0.00 ATOM 400 CG GLU A 52 -19.549 13.004 10.912 1.00 0.00 ATOM 401 CD GLU A 52 -20.982 12.811 10.456 1.00 0.00 ATOM 402 OE1 GLU A 52 -21.306 11.708 9.969 1.00 0.00 ATOM 403 OE2 GLU A 52 -21.780 13.763 10.586 1.00 0.00 ATOM 404 O GLU A 52 -17.281 11.274 13.420 1.00 0.00 ATOM 405 C GLU A 52 -17.140 12.181 12.602 1.00 0.00 ATOM 406 N LEU A 53 -16.844 13.443 12.958 1.00 0.00 ATOM 407 CA LEU A 53 -16.788 13.866 14.325 1.00 0.00 ATOM 408 CB LEU A 53 -15.504 13.365 14.989 1.00 0.00 ATOM 409 CG LEU A 53 -15.293 13.769 16.449 1.00 0.00 ATOM 410 CD1 LEU A 53 -16.320 13.096 17.347 1.00 0.00 ATOM 411 CD2 LEU A 53 -13.907 13.364 16.925 1.00 0.00 ATOM 412 O LEU A 53 -16.280 15.933 13.329 1.00 0.00 ATOM 413 C LEU A 53 -16.821 15.352 14.267 1.00 0.00 ATOM 414 N ALA A 54 -17.466 16.015 15.249 1.00 0.00 ATOM 415 CA ALA A 54 -17.429 17.444 15.200 1.00 0.00 ATOM 416 CB ALA A 54 -18.245 18.035 16.339 1.00 0.00 ATOM 417 O ALA A 54 -15.264 17.157 16.100 1.00 0.00 ATOM 418 C ALA A 54 -15.989 17.783 15.329 1.00 0.00 ATOM 419 N PRO A 55 -15.537 18.736 14.569 1.00 0.00 ATOM 420 CA PRO A 55 -14.153 19.076 14.689 1.00 0.00 ATOM 421 CB PRO A 55 -13.896 20.006 13.502 1.00 0.00 ATOM 422 CG PRO A 55 -15.231 20.598 13.195 1.00 0.00 ATOM 423 CD PRO A 55 -16.243 19.534 13.517 1.00 0.00 ATOM 424 O PRO A 55 -14.691 20.527 16.452 1.00 0.00 ATOM 425 C PRO A 55 -13.860 19.757 15.974 1.00 0.00 ATOM 426 N GLU A 56 -12.682 19.475 16.552 1.00 0.00 ATOM 427 CA GLU A 56 -12.299 20.132 17.761 1.00 0.00 ATOM 428 CB GLU A 56 -11.766 19.119 18.776 1.00 0.00 ATOM 429 CG GLU A 56 -12.805 18.120 19.260 1.00 0.00 ATOM 430 CD GLU A 56 -12.262 17.181 20.319 1.00 0.00 ATOM 431 OE1 GLU A 56 -11.052 17.260 20.618 1.00 0.00 ATOM 432 OE2 GLU A 56 -13.046 16.367 20.849 1.00 0.00 ATOM 433 O GLU A 56 -10.076 20.736 17.245 1.00 0.00 ATOM 434 C GLU A 56 -11.240 21.105 17.394 1.00 0.00 ATOM 435 N GLU A 57 -11.617 22.381 17.231 1.00 0.00 ATOM 436 CA GLU A 57 -10.624 23.371 16.972 1.00 0.00 ATOM 437 CB GLU A 57 -11.158 24.423 15.998 1.00 0.00 ATOM 438 CG GLU A 57 -11.466 23.885 14.610 1.00 0.00 ATOM 439 CD GLU A 57 -11.990 24.956 13.673 1.00 0.00 ATOM 440 OE1 GLU A 57 -12.204 26.096 14.135 1.00 0.00 ATOM 441 OE2 GLU A 57 -12.186 24.654 12.477 1.00 0.00 ATOM 442 O GLU A 57 -11.293 24.078 19.112 1.00 0.00 ATOM 443 C GLU A 57 -10.363 23.932 18.321 1.00 0.00 ATOM 444 N GLU A 58 -9.097 24.229 18.655 1.00 0.00 ATOM 445 CA GLU A 58 -8.923 24.719 19.985 1.00 0.00 ATOM 446 CB GLU A 58 -7.439 24.743 20.357 1.00 0.00 ATOM 447 CG GLU A 58 -7.166 25.168 21.791 1.00 0.00 ATOM 448 CD GLU A 58 -5.691 25.127 22.140 1.00 0.00 ATOM 449 OE1 GLU A 58 -4.881 24.778 21.255 1.00 0.00 ATOM 450 OE2 GLU A 58 -5.345 25.443 23.297 1.00 0.00 ATOM 451 O GLU A 58 -9.326 26.890 19.116 1.00 0.00 ATOM 452 C GLU A 58 -9.477 26.099 20.044 1.00 0.00 ATOM 453 N VAL A 59 -10.162 26.397 21.165 1.00 0.00 ATOM 454 CA VAL A 59 -10.836 27.646 21.327 1.00 0.00 ATOM 455 CB VAL A 59 -12.223 27.630 20.657 1.00 0.00 ATOM 456 CG1 VAL A 59 -12.086 27.444 19.154 1.00 0.00 ATOM 457 CG2 VAL A 59 -13.067 26.492 21.208 1.00 0.00 ATOM 458 O VAL A 59 -10.320 27.204 23.604 1.00 0.00 ATOM 459 C VAL A 59 -10.980 27.858 22.802 1.00 0.00 ATOM 460 N LYS A 60 -11.837 28.822 23.186 1.00 0.00 ATOM 461 CA LYS A 60 -12.097 29.122 24.558 1.00 0.00 ATOM 462 CB LYS A 60 -12.885 30.428 24.681 1.00 0.00 ATOM 463 CG LYS A 60 -12.111 31.663 24.251 1.00 0.00 ATOM 464 CD LYS A 60 -12.958 32.918 24.380 1.00 0.00 ATOM 465 CE LYS A 60 -12.162 34.161 24.018 1.00 0.00 ATOM 466 NZ LYS A 60 -12.983 35.399 24.131 1.00 0.00 ATOM 467 O LYS A 60 -13.450 27.175 24.390 1.00 0.00 ATOM 468 C LYS A 60 -12.891 27.993 25.120 1.00 0.00 ATOM 469 N LEU A 61 -12.924 27.917 26.462 1.00 0.00 ATOM 470 CA LEU A 61 -13.735 26.945 27.123 1.00 0.00 ATOM 471 CB LEU A 61 -13.550 27.035 28.639 1.00 0.00 ATOM 472 CG LEU A 61 -14.282 25.983 29.475 1.00 0.00 ATOM 473 CD1 LEU A 61 -13.747 24.591 29.176 1.00 0.00 ATOM 474 CD2 LEU A 61 -14.100 26.253 30.960 1.00 0.00 ATOM 475 O LEU A 61 -15.542 28.453 26.886 1.00 0.00 ATOM 476 C LEU A 61 -15.116 27.315 26.703 1.00 0.00 ATOM 477 N GLU A 62 -15.851 26.364 26.093 1.00 0.00 ATOM 478 CA GLU A 62 -17.146 26.725 25.598 1.00 0.00 ATOM 479 CB GLU A 62 -17.077 27.050 24.105 1.00 0.00 ATOM 480 CG GLU A 62 -16.205 28.250 23.770 1.00 0.00 ATOM 481 CD GLU A 62 -16.149 28.533 22.282 1.00 0.00 ATOM 482 OE1 GLU A 62 -16.786 27.784 21.511 1.00 0.00 ATOM 483 OE2 GLU A 62 -15.469 29.503 21.887 1.00 0.00 ATOM 484 O GLU A 62 -17.636 24.438 26.008 1.00 0.00 ATOM 485 C GLU A 62 -18.071 25.574 25.815 1.00 0.00 ATOM 486 N HIS A 63 -19.387 25.860 25.812 1.00 0.00 ATOM 487 CA HIS A 63 -20.376 24.855 26.054 1.00 0.00 ATOM 488 CB HIS A 63 -21.722 25.499 26.391 1.00 0.00 ATOM 489 CG HIS A 63 -21.734 26.225 27.700 1.00 0.00 ATOM 490 CD2 HIS A 63 -21.646 27.618 28.115 1.00 0.00 ATOM 491 ND1 HIS A 63 -21.847 25.577 28.911 1.00 0.00 ATOM 492 CE1 HIS A 63 -21.827 26.489 29.899 1.00 0.00 ATOM 493 NE2 HIS A 63 -21.707 27.715 29.429 1.00 0.00 ATOM 494 O HIS A 63 -20.427 24.521 23.700 1.00 0.00 ATOM 495 C HIS A 63 -20.518 24.021 24.820 1.00 0.00 ATOM 496 N HIS A 64 -20.729 22.704 25.004 1.00 0.00 ATOM 497 CA HIS A 64 -20.844 21.824 23.878 1.00 0.00 ATOM 498 CB HIS A 64 -20.962 20.371 24.343 1.00 0.00 ATOM 499 CG HIS A 64 -19.684 19.800 24.873 1.00 0.00 ATOM 500 CD2 HIS A 64 -19.224 19.303 26.161 1.00 0.00 ATOM 501 ND1 HIS A 64 -18.563 19.631 24.089 1.00 0.00 ATOM 502 CE1 HIS A 64 -17.580 19.101 24.838 1.00 0.00 ATOM 503 NE2 HIS A 64 -17.970 18.902 26.083 1.00 0.00 ATOM 504 O HIS A 64 -22.007 22.373 21.882 1.00 0.00 ATOM 505 C HIS A 64 -22.066 22.193 23.097 1.00 0.00 ATOM 506 N HIS A 65 -23.217 22.329 23.780 1.00 0.00 ATOM 507 CA HIS A 65 -24.406 22.685 23.065 1.00 0.00 ATOM 508 CB HIS A 65 -25.545 21.723 23.407 1.00 0.00 ATOM 509 CG HIS A 65 -25.249 20.293 23.075 1.00 0.00 ATOM 510 CD2 HIS A 65 -24.863 19.110 23.831 1.00 0.00 ATOM 511 ND1 HIS A 65 -25.306 19.800 21.790 1.00 0.00 ATOM 512 CE1 HIS A 65 -24.991 18.493 21.808 1.00 0.00 ATOM 513 NE2 HIS A 65 -24.724 18.072 23.029 1.00 0.00 ATOM 514 O HIS A 65 -25.604 24.281 24.343 1.00 0.00 ATOM 515 C HIS A 65 -24.733 24.075 23.500 1.00 0.00 ATOM 516 N HIS A 66 -24.040 25.081 22.941 1.00 0.00 ATOM 517 CA HIS A 66 -24.336 26.414 23.365 1.00 0.00 ATOM 518 CB HIS A 66 -23.113 27.049 24.030 1.00 0.00 ATOM 519 CG HIS A 66 -23.362 28.425 24.564 1.00 0.00 ATOM 520 CD2 HIS A 66 -24.531 29.273 24.743 1.00 0.00 ATOM 521 ND1 HIS A 66 -22.353 29.229 25.049 1.00 0.00 ATOM 522 CE1 HIS A 66 -22.882 30.397 25.456 1.00 0.00 ATOM 523 NE2 HIS A 66 -24.188 30.430 25.275 1.00 0.00 ATOM 524 O HIS A 66 -23.878 27.537 21.337 1.00 0.00 ATOM 525 C HIS A 66 -24.721 27.205 22.167 1.00 0.00 ATOM 526 N HIS A 67 -26.024 27.512 22.041 1.00 0.00 ATOM 527 CA HIS A 67 -26.476 28.334 20.964 1.00 0.00 ATOM 528 CB HIS A 67 -27.335 27.521 19.994 1.00 0.00 ATOM 529 CG HIS A 67 -26.617 26.362 19.375 1.00 0.00 ATOM 530 CD2 HIS A 67 -26.492 24.942 19.669 1.00 0.00 ATOM 531 ND1 HIS A 67 -25.835 26.487 18.248 1.00 0.00 ATOM 532 CE1 HIS A 67 -25.325 25.283 17.933 1.00 0.00 ATOM 533 NE2 HIS A 67 -25.715 24.352 18.781 1.00 0.00 ATOM 534 O HIS A 67 -28.096 29.132 22.485 1.00 0.00 ATOM 535 C HIS A 67 -27.268 29.411 21.619 1.00 0.00 ATOM 536 N HIS A 68 -27.018 30.682 21.251 1.00 0.00 ATOM 537 CA HIS A 68 -27.763 31.734 21.874 1.00 0.00 ATOM 538 CB HIS A 68 -26.924 33.011 21.952 1.00 0.00 ATOM 539 CG HIS A 68 -25.674 32.864 22.762 1.00 0.00 ATOM 540 CD2 HIS A 68 -24.246 32.875 22.478 1.00 0.00 ATOM 541 ND1 HIS A 68 -25.689 32.662 24.125 1.00 0.00 ATOM 542 CE1 HIS A 68 -24.422 32.569 24.568 1.00 0.00 ATOM 543 NE2 HIS A 68 -23.551 32.696 23.585 1.00 0.00 ATOM 544 O HIS A 68 -29.834 31.026 20.931 1.00 0.00 ATOM 545 C HIS A 68 -28.999 31.965 21.016 1.00 0.00 ENDMDL