EXPDTA T0348TS137_1-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0348TS137_1-scwrl ATOM 1 N MET 1 4.690 1.850 -19.397 1.00 0.00 ATOM 2 CA MET 1 6.124 1.770 -19.037 1.00 0.00 ATOM 3 CB MET 1 6.993 2.306 -20.176 1.00 0.00 ATOM 4 CG MET 1 6.941 1.468 -21.444 1.00 0.00 ATOM 5 SD MET 1 7.547 -0.212 -21.193 1.00 0.00 ATOM 6 CE MET 1 9.294 0.092 -20.941 1.00 0.00 ATOM 7 O MET 1 5.593 2.577 -16.874 1.00 0.00 ATOM 8 C MET 1 6.385 2.580 -17.814 1.00 0.00 ATOM 9 N ASP 2 7.523 3.296 -17.785 1.00 0.00 ATOM 10 CA ASP 2 7.788 4.076 -16.619 1.00 0.00 ATOM 11 CB ASP 2 9.223 4.606 -16.643 1.00 0.00 ATOM 12 CG ASP 2 9.587 5.361 -15.380 1.00 0.00 ATOM 13 OD1 ASP 2 8.701 5.537 -14.517 1.00 0.00 ATOM 14 OD2 ASP 2 10.758 5.777 -15.253 1.00 0.00 ATOM 15 O ASP 2 6.764 5.997 -17.567 1.00 0.00 ATOM 16 C ASP 2 6.820 5.215 -16.619 1.00 0.00 ATOM 17 N ALA 3 6.010 5.316 -15.548 1.00 0.00 ATOM 18 CA ALA 3 5.049 6.374 -15.433 1.00 0.00 ATOM 19 CB ALA 3 3.734 5.969 -16.082 1.00 0.00 ATOM 20 O ALA 3 5.179 5.770 -13.139 1.00 0.00 ATOM 21 C ALA 3 4.857 6.618 -13.971 1.00 0.00 ATOM 22 N LYS 4 4.341 7.813 -13.625 1.00 0.00 ATOM 23 CA LYS 4 4.119 8.191 -12.259 1.00 0.00 ATOM 24 CB LYS 4 3.624 9.636 -12.177 1.00 0.00 ATOM 25 CG LYS 4 4.679 10.674 -12.524 1.00 0.00 ATOM 26 CD LYS 4 4.121 12.084 -12.420 1.00 0.00 ATOM 27 CE LYS 4 5.169 13.121 -12.791 1.00 0.00 ATOM 28 NZ LYS 4 4.626 14.507 -12.726 1.00 0.00 ATOM 29 O LYS 4 3.224 6.782 -10.564 1.00 0.00 ATOM 30 C LYS 4 3.091 7.277 -11.683 1.00 0.00 ATOM 31 N PHE 5 2.039 7.013 -12.475 1.00 0.00 ATOM 32 CA PHE 5 0.946 6.183 -12.077 1.00 0.00 ATOM 33 CB PHE 5 -0.346 6.999 -11.999 1.00 0.00 ATOM 34 CG PHE 5 -0.323 8.072 -10.949 1.00 0.00 ATOM 35 CD1 PHE 5 -0.073 9.390 -11.289 1.00 0.00 ATOM 36 CD2 PHE 5 -0.552 7.764 -9.619 1.00 0.00 ATOM 37 CE1 PHE 5 -0.052 10.377 -10.323 1.00 0.00 ATOM 38 CE2 PHE 5 -0.531 8.751 -8.652 1.00 0.00 ATOM 39 CZ PHE 5 -0.282 10.053 -8.999 1.00 0.00 ATOM 40 O PHE 5 1.937 4.825 -13.705 1.00 0.00 ATOM 41 C PHE 5 0.886 5.145 -13.149 1.00 0.00 ATOM 42 N LEU 6 -0.309 4.625 -13.507 1.00 0.00 ATOM 43 CA LEU 6 -0.320 3.537 -14.434 1.00 0.00 ATOM 44 CB LEU 6 0.238 3.981 -15.788 1.00 0.00 ATOM 45 CG LEU 6 -0.510 5.116 -16.490 1.00 0.00 ATOM 46 CD1 LEU 6 0.201 5.515 -17.774 1.00 0.00 ATOM 47 CD2 LEU 6 -1.927 4.689 -16.844 1.00 0.00 ATOM 48 O LEU 6 1.617 2.208 -14.326 1.00 0.00 ATOM 49 C LEU 6 0.540 2.501 -13.808 1.00 0.00 ATOM 50 N GLU 7 0.058 1.978 -12.655 1.00 0.00 ATOM 51 CA GLU 7 0.769 1.092 -11.780 1.00 0.00 ATOM 52 CB GLU 7 -0.209 0.295 -10.914 1.00 0.00 ATOM 53 CG GLU 7 0.461 -0.649 -9.929 1.00 0.00 ATOM 54 CD GLU 7 -0.538 -1.417 -9.087 1.00 0.00 ATOM 55 OE1 GLU 7 -1.750 -1.139 -9.202 1.00 0.00 ATOM 56 OE2 GLU 7 -0.109 -2.297 -8.311 1.00 0.00 ATOM 57 O GLU 7 1.121 -0.518 -13.497 1.00 0.00 ATOM 58 C GLU 7 1.581 0.145 -12.569 1.00 0.00 ATOM 59 N ILE 8 2.861 0.110 -12.192 1.00 0.00 ATOM 60 CA ILE 8 3.835 -0.690 -12.845 1.00 0.00 ATOM 61 CB ILE 8 4.942 0.173 -13.478 1.00 0.00 ATOM 62 CG1 ILE 8 5.652 1.002 -12.405 1.00 0.00 ATOM 63 CG2 ILE 8 4.353 1.123 -14.509 1.00 0.00 ATOM 64 CD1 ILE 8 6.882 1.725 -12.907 1.00 0.00 ATOM 65 O ILE 8 4.344 -1.250 -10.609 1.00 0.00 ATOM 66 C ILE 8 4.404 -1.571 -11.795 1.00 0.00 ATOM 67 N LEU 9 4.927 -2.737 -12.207 1.00 0.00 ATOM 68 CA LEU 9 5.507 -3.623 -11.250 1.00 0.00 ATOM 69 CB LEU 9 4.696 -4.917 -11.158 1.00 0.00 ATOM 70 CG LEU 9 3.239 -4.775 -10.715 1.00 0.00 ATOM 71 CD1 LEU 9 2.508 -6.103 -10.834 1.00 0.00 ATOM 72 CD2 LEU 9 3.160 -4.317 -9.266 1.00 0.00 ATOM 73 O LEU 9 7.262 -3.607 -12.841 1.00 0.00 ATOM 74 C LEU 9 6.899 -3.920 -11.708 1.00 0.00 ATOM 75 N VAL 10 7.743 -4.478 -10.813 1.00 0.00 ATOM 76 CA VAL 10 9.069 -4.844 -11.227 1.00 0.00 ATOM 77 CB VAL 10 9.044 -5.705 -12.504 1.00 0.00 ATOM 78 CG1 VAL 10 8.285 -7.000 -12.259 1.00 0.00 ATOM 79 CG2 VAL 10 8.362 -4.955 -13.638 1.00 0.00 ATOM 80 O VAL 10 9.197 -2.487 -11.227 1.00 0.00 ATOM 81 C VAL 10 9.769 -3.547 -11.476 1.00 0.00 ATOM 82 N CYS 11 11.049 -3.575 -11.895 1.00 0.00 ATOM 83 CA CYS 11 11.686 -2.341 -12.234 1.00 0.00 ATOM 84 CB CYS 11 13.084 -2.272 -11.615 1.00 0.00 ATOM 85 SG CYS 11 13.967 -0.727 -11.936 1.00 0.00 ATOM 86 O CYS 11 12.574 -2.992 -14.347 1.00 0.00 ATOM 87 C CYS 11 11.781 -2.287 -13.722 1.00 0.00 ATOM 88 N PRO 12 10.933 -1.481 -14.300 1.00 0.00 ATOM 89 CA PRO 12 10.961 -1.308 -15.724 1.00 0.00 ATOM 90 CB PRO 12 9.676 -0.535 -16.028 1.00 0.00 ATOM 91 CG PRO 12 9.336 0.144 -14.744 1.00 0.00 ATOM 92 CD PRO 12 9.783 -0.786 -13.650 1.00 0.00 ATOM 93 O PRO 12 12.578 -0.698 -17.321 1.00 0.00 ATOM 94 C PRO 12 12.166 -0.545 -16.172 1.00 0.00 ATOM 95 N LEU 13 12.718 0.313 -15.294 1.00 0.00 ATOM 96 CA LEU 13 13.851 1.124 -15.648 1.00 0.00 ATOM 97 CB LEU 13 14.175 2.112 -14.525 1.00 0.00 ATOM 98 CG LEU 13 13.166 3.241 -14.304 1.00 0.00 ATOM 99 CD1 LEU 13 13.509 4.029 -13.049 1.00 0.00 ATOM 100 CD2 LEU 13 13.166 4.201 -15.483 1.00 0.00 ATOM 101 O LEU 13 15.704 0.321 -16.908 1.00 0.00 ATOM 102 C LEU 13 15.033 0.248 -15.879 1.00 0.00 ATOM 103 N CYS 14 15.282 -0.652 -14.922 1.00 0.00 ATOM 104 CA CYS 14 16.423 -1.503 -14.978 1.00 0.00 ATOM 105 CB CYS 14 17.090 -1.596 -13.604 1.00 0.00 ATOM 106 SG CYS 14 16.061 -2.354 -12.325 1.00 0.00 ATOM 107 O CYS 14 14.833 -2.871 -16.065 1.00 0.00 ATOM 108 C CYS 14 15.870 -2.812 -15.412 1.00 0.00 ATOM 109 N LYS 15 16.590 -3.902 -15.129 1.00 0.00 ATOM 110 CA LYS 15 16.018 -5.180 -15.389 1.00 0.00 ATOM 111 CB LYS 15 16.689 -5.831 -16.600 1.00 0.00 ATOM 112 CG LYS 15 16.462 -5.091 -17.908 1.00 0.00 ATOM 113 CD LYS 15 16.993 -5.884 -19.091 1.00 0.00 ATOM 114 CE LYS 15 16.757 -5.148 -20.400 1.00 0.00 ATOM 115 NZ LYS 15 17.473 -5.792 -21.536 1.00 0.00 ATOM 116 O LYS 15 17.374 -6.432 -13.916 1.00 0.00 ATOM 117 C LYS 15 16.265 -5.955 -14.150 1.00 0.00 ATOM 118 N GLY 16 15.235 -6.094 -13.303 1.00 0.00 ATOM 119 CA GLY 16 15.501 -6.829 -12.112 1.00 0.00 ATOM 120 O GLY 16 13.315 -6.089 -11.459 1.00 0.00 ATOM 121 C GLY 16 14.296 -6.798 -11.237 1.00 0.00 ATOM 122 N PRO 17 14.424 -7.599 -10.225 1.00 0.00 ATOM 123 CA PRO 17 13.404 -7.731 -9.227 1.00 0.00 ATOM 124 CB PRO 17 13.808 -8.985 -8.449 1.00 0.00 ATOM 125 CG PRO 17 15.293 -9.045 -8.581 1.00 0.00 ATOM 126 CD PRO 17 15.609 -8.533 -9.958 1.00 0.00 ATOM 127 O PRO 17 14.328 -5.691 -8.529 1.00 0.00 ATOM 128 C PRO 17 13.417 -6.504 -8.385 1.00 0.00 ATOM 129 N LEU 18 12.395 -6.336 -7.526 1.00 0.00 ATOM 130 CA LEU 18 12.306 -5.160 -6.716 1.00 0.00 ATOM 131 CB LEU 18 11.023 -4.388 -7.031 1.00 0.00 ATOM 132 CG LEU 18 10.781 -3.115 -6.217 1.00 0.00 ATOM 133 CD1 LEU 18 11.796 -2.043 -6.582 1.00 0.00 ATOM 134 CD2 LEU 18 9.389 -2.563 -6.485 1.00 0.00 ATOM 135 O LEU 18 11.628 -6.597 -4.954 1.00 0.00 ATOM 136 C LEU 18 12.302 -5.625 -5.289 1.00 0.00 ATOM 137 N VAL 19 13.083 -4.966 -4.408 1.00 0.00 ATOM 138 CA VAL 19 13.069 -5.365 -3.029 1.00 0.00 ATOM 139 CB VAL 19 14.485 -5.356 -2.424 1.00 0.00 ATOM 140 CG1 VAL 19 14.438 -5.727 -0.950 1.00 0.00 ATOM 141 CG2 VAL 19 15.378 -6.356 -3.143 1.00 0.00 ATOM 142 O VAL 19 12.397 -3.182 -2.340 1.00 0.00 ATOM 143 C VAL 19 12.205 -4.397 -2.283 1.00 0.00 ATOM 144 N PHE 20 11.204 -4.933 -1.557 1.00 0.00 ATOM 145 CA PHE 20 10.276 -4.108 -0.839 1.00 0.00 ATOM 146 CB PHE 20 8.904 -4.781 -0.768 1.00 0.00 ATOM 147 CG PHE 20 7.862 -3.961 -0.063 1.00 0.00 ATOM 148 CD1 PHE 20 7.239 -2.906 -0.705 1.00 0.00 ATOM 149 CD2 PHE 20 7.505 -4.245 1.244 1.00 0.00 ATOM 150 CE1 PHE 20 6.280 -2.151 -0.056 1.00 0.00 ATOM 151 CE2 PHE 20 6.546 -3.491 1.893 1.00 0.00 ATOM 152 CZ PHE 20 5.935 -2.448 1.249 1.00 0.00 ATOM 153 O PHE 20 11.501 -4.762 1.083 1.00 0.00 ATOM 154 C PHE 20 10.807 -3.906 0.538 1.00 0.00 ATOM 155 N ASP 21 10.510 -2.732 1.123 1.00 0.00 ATOM 156 CA ASP 21 10.927 -2.456 2.457 1.00 0.00 ATOM 157 CB ASP 21 11.793 -1.195 2.498 1.00 0.00 ATOM 158 CG ASP 21 12.408 -0.955 3.862 1.00 0.00 ATOM 159 OD1 ASP 21 11.679 -1.063 4.870 1.00 0.00 ATOM 160 OD2 ASP 21 13.620 -0.659 3.924 1.00 0.00 ATOM 161 O ASP 21 8.975 -1.251 3.090 1.00 0.00 ATOM 162 C ASP 21 9.656 -2.268 3.221 1.00 0.00 ATOM 163 N LYS 22 9.309 -3.274 4.043 1.00 0.00 ATOM 164 CA LYS 22 8.063 -3.288 4.748 1.00 0.00 ATOM 165 CB LYS 22 7.921 -4.578 5.559 1.00 0.00 ATOM 166 CG LYS 22 6.605 -4.696 6.310 1.00 0.00 ATOM 167 CD LYS 22 6.501 -6.028 7.035 1.00 0.00 ATOM 168 CE LYS 22 5.206 -6.127 7.826 1.00 0.00 ATOM 169 NZ LYS 22 5.102 -7.418 8.561 1.00 0.00 ATOM 170 O LYS 22 6.979 -1.434 5.742 1.00 0.00 ATOM 171 C LYS 22 7.994 -2.126 5.680 1.00 0.00 ATOM 172 N SER 23 9.074 -1.884 6.443 1.00 0.00 ATOM 173 CA SER 23 9.021 -0.855 7.435 1.00 0.00 ATOM 174 CB SER 23 10.292 -0.866 8.287 1.00 0.00 ATOM 175 OG SER 23 10.378 -2.050 9.060 1.00 0.00 ATOM 176 O SER 23 7.998 1.257 7.122 1.00 0.00 ATOM 177 C SER 23 8.896 0.484 6.792 1.00 0.00 ATOM 178 N LYS 24 9.803 0.776 5.842 1.00 0.00 ATOM 179 CA LYS 24 9.863 2.046 5.179 1.00 0.00 ATOM 180 CB LYS 24 11.114 2.134 4.302 1.00 0.00 ATOM 181 CG LYS 24 12.414 2.226 5.083 1.00 0.00 ATOM 182 CD LYS 24 13.613 2.306 4.152 1.00 0.00 ATOM 183 CE LYS 24 14.914 2.398 4.933 1.00 0.00 ATOM 184 NZ LYS 24 16.099 2.448 4.034 1.00 0.00 ATOM 185 O LYS 24 8.218 3.378 4.144 1.00 0.00 ATOM 186 C LYS 24 8.668 2.244 4.312 1.00 0.00 ATOM 187 N ASP 25 8.096 1.147 3.786 1.00 0.00 ATOM 188 CA ASP 25 7.051 1.259 2.812 1.00 0.00 ATOM 189 CB ASP 25 5.955 2.205 3.308 1.00 0.00 ATOM 190 CG ASP 25 5.258 1.688 4.551 1.00 0.00 ATOM 191 OD1 ASP 25 4.789 0.530 4.531 1.00 0.00 ATOM 192 OD2 ASP 25 5.180 2.440 5.545 1.00 0.00 ATOM 193 O ASP 25 7.107 2.617 0.860 1.00 0.00 ATOM 194 C ASP 25 7.682 1.797 1.573 1.00 0.00 ATOM 195 N GLU 26 8.916 1.337 1.294 1.00 0.00 ATOM 196 CA GLU 26 9.572 1.753 0.098 1.00 0.00 ATOM 197 CB GLU 26 10.932 2.376 0.421 1.00 0.00 ATOM 198 CG GLU 26 10.850 3.661 1.229 1.00 0.00 ATOM 199 CD GLU 26 12.211 4.275 1.486 1.00 0.00 ATOM 200 OE1 GLU 26 13.223 3.672 1.071 1.00 0.00 ATOM 201 OE2 GLU 26 12.267 5.359 2.104 1.00 0.00 ATOM 202 O GLU 26 9.908 -0.562 -0.196 1.00 0.00 ATOM 203 C GLU 26 9.742 0.529 -0.734 1.00 0.00 ATOM 204 N LEU 27 9.664 0.675 -2.070 1.00 0.00 ATOM 205 CA LEU 27 9.932 -0.431 -2.940 1.00 0.00 ATOM 206 CB LEU 27 8.757 -0.660 -3.893 1.00 0.00 ATOM 207 CG LEU 27 7.408 -0.973 -3.243 1.00 0.00 ATOM 208 CD1 LEU 27 6.321 -1.106 -4.299 1.00 0.00 ATOM 209 CD2 LEU 27 7.477 -2.278 -2.464 1.00 0.00 ATOM 210 O LEU 27 11.129 0.962 -4.410 1.00 0.00 ATOM 211 C LEU 27 11.163 -0.018 -3.668 1.00 0.00 ATOM 212 N ILE 28 12.293 -0.729 -3.493 1.00 0.00 ATOM 213 CA ILE 28 13.439 -0.214 -4.177 1.00 0.00 ATOM 214 CB ILE 28 14.510 0.284 -3.189 1.00 0.00 ATOM 215 CG1 ILE 28 13.950 1.413 -2.320 1.00 0.00 ATOM 216 CG2 ILE 28 15.724 0.810 -3.939 1.00 0.00 ATOM 217 CD1 ILE 28 14.863 1.819 -1.184 1.00 0.00 ATOM 218 O ILE 28 14.250 -2.405 -4.650 1.00 0.00 ATOM 219 C ILE 28 14.081 -1.250 -5.039 1.00 0.00 ATOM 220 N CYS 29 14.418 -0.845 -6.278 1.00 0.00 ATOM 221 CA CYS 29 15.201 -1.695 -7.112 1.00 0.00 ATOM 222 CB CYS 29 15.134 -1.227 -8.567 1.00 0.00 ATOM 223 SG CYS 29 15.959 -2.325 -9.743 1.00 0.00 ATOM 224 O CYS 29 16.858 -0.539 -5.898 1.00 0.00 ATOM 225 C CYS 29 16.560 -1.550 -6.532 1.00 0.00 ATOM 226 N LYS 30 17.423 -2.566 -6.657 1.00 0.00 ATOM 227 CA LYS 30 18.697 -2.298 -6.076 1.00 0.00 ATOM 228 CB LYS 30 19.564 -3.558 -6.082 1.00 0.00 ATOM 229 CG LYS 30 19.101 -4.635 -5.115 1.00 0.00 ATOM 230 CD LYS 30 20.008 -5.854 -5.169 1.00 0.00 ATOM 231 CE LYS 30 19.524 -6.944 -4.227 1.00 0.00 ATOM 232 NZ LYS 30 20.390 -8.154 -4.287 1.00 0.00 ATOM 233 O LYS 30 19.955 -0.300 -6.341 1.00 0.00 ATOM 234 C LYS 30 19.356 -1.224 -6.890 1.00 0.00 ATOM 235 N GLY 31 19.232 -1.311 -8.232 1.00 0.00 ATOM 236 CA GLY 31 19.932 -0.429 -9.130 1.00 0.00 ATOM 237 O GLY 31 20.400 1.876 -8.853 1.00 0.00 ATOM 238 C GLY 31 19.534 1.009 -8.969 1.00 0.00 ATOM 239 N ASP 32 18.223 1.319 -8.959 1.00 0.00 ATOM 240 CA ASP 32 17.861 2.705 -8.845 1.00 0.00 ATOM 241 CB ASP 32 17.068 3.154 -10.074 1.00 0.00 ATOM 242 CG ASP 32 17.932 3.274 -11.313 1.00 0.00 ATOM 243 OD1 ASP 32 19.173 3.247 -11.177 1.00 0.00 ATOM 244 OD2 ASP 32 17.368 3.394 -12.421 1.00 0.00 ATOM 245 O ASP 32 17.339 2.242 -6.581 1.00 0.00 ATOM 246 C ASP 32 17.021 2.839 -7.608 1.00 0.00 ATOM 247 N ARG 33 15.959 3.679 -7.653 1.00 0.00 ATOM 248 CA ARG 33 15.075 3.841 -6.523 1.00 0.00 ATOM 249 CB ARG 33 15.433 5.106 -5.740 1.00 0.00 ATOM 250 CG ARG 33 16.821 5.081 -5.121 1.00 0.00 ATOM 251 CD ARG 33 16.900 4.077 -3.983 1.00 0.00 ATOM 252 NE ARG 33 18.203 4.102 -3.321 1.00 0.00 ATOM 253 CZ ARG 33 19.263 3.415 -3.733 1.00 0.00 ATOM 254 NH1 ARG 33 20.407 3.499 -3.067 1.00 0.00 ATOM 255 NH2 ARG 33 19.178 2.644 -4.809 1.00 0.00 ATOM 256 O ARG 33 13.316 4.892 -7.744 1.00 0.00 ATOM 257 C ARG 33 13.653 3.951 -7.028 1.00 0.00 ATOM 258 N LEU 34 12.769 2.978 -6.695 1.00 0.00 ATOM 259 CA LEU 34 11.432 3.052 -7.224 1.00 0.00 ATOM 260 CB LEU 34 10.693 1.732 -6.998 1.00 0.00 ATOM 261 CG LEU 34 9.248 1.669 -7.499 1.00 0.00 ATOM 262 CD1 LEU 34 9.191 1.885 -9.004 1.00 0.00 ATOM 263 CD2 LEU 34 8.630 0.315 -7.189 1.00 0.00 ATOM 264 O LEU 34 10.065 4.994 -7.234 1.00 0.00 ATOM 265 C LEU 34 10.647 4.146 -6.559 1.00 0.00 ATOM 266 N ALA 35 10.619 4.172 -5.210 1.00 0.00 ATOM 267 CA ALA 35 9.796 5.150 -4.555 1.00 0.00 ATOM 268 CB ALA 35 8.336 4.952 -4.931 1.00 0.00 ATOM 269 O ALA 35 10.645 4.093 -2.599 1.00 0.00 ATOM 270 C ALA 35 9.956 4.992 -3.076 1.00 0.00 ATOM 271 N PHE 36 9.305 5.883 -2.300 1.00 0.00 ATOM 272 CA PHE 36 9.452 5.848 -0.878 1.00 0.00 ATOM 273 CB PHE 36 10.313 7.019 -0.399 1.00 0.00 ATOM 274 CG PHE 36 11.749 6.931 -0.832 1.00 0.00 ATOM 275 CD1 PHE 36 12.284 5.732 -1.269 1.00 0.00 ATOM 276 CD2 PHE 36 12.565 8.049 -0.802 1.00 0.00 ATOM 277 CE1 PHE 36 13.605 5.652 -1.667 1.00 0.00 ATOM 278 CE2 PHE 36 13.886 7.968 -1.200 1.00 0.00 ATOM 279 CZ PHE 36 14.407 6.776 -1.631 1.00 0.00 ATOM 280 O PHE 36 7.401 4.921 -0.321 1.00 0.00 ATOM 281 C PHE 36 8.077 5.944 -0.268 1.00 0.00 ATOM 282 N PRO 37 7.594 7.037 0.314 1.00 0.00 ATOM 283 CA PRO 37 6.325 6.998 1.006 1.00 0.00 ATOM 284 CB PRO 37 6.048 8.462 1.354 1.00 0.00 ATOM 285 CG PRO 37 7.401 9.068 1.524 1.00 0.00 ATOM 286 CD PRO 37 8.257 8.489 0.432 1.00 0.00 ATOM 287 O PRO 37 4.813 7.067 -0.805 1.00 0.00 ATOM 288 C PRO 37 5.213 6.438 0.175 1.00 0.00 ATOM 289 N ILE 38 4.673 5.273 0.585 1.00 0.00 ATOM 290 CA ILE 38 3.604 4.697 -0.168 1.00 0.00 ATOM 291 CB ILE 38 3.781 3.176 -0.327 1.00 0.00 ATOM 292 CG1 ILE 38 5.122 2.862 -0.993 1.00 0.00 ATOM 293 CG2 ILE 38 2.668 2.596 -1.187 1.00 0.00 ATOM 294 CD1 ILE 38 5.469 1.389 -1.004 1.00 0.00 ATOM 295 O ILE 38 1.889 4.217 1.426 1.00 0.00 ATOM 296 C ILE 38 2.342 4.979 0.571 1.00 0.00 ATOM 297 N LYS 39 1.747 6.136 0.242 1.00 0.00 ATOM 298 CA LYS 39 0.526 6.541 0.857 1.00 0.00 ATOM 299 CB LYS 39 0.802 7.504 2.013 1.00 0.00 ATOM 300 CG LYS 39 1.524 6.869 3.191 1.00 0.00 ATOM 301 CD LYS 39 1.685 7.855 4.336 1.00 0.00 ATOM 302 CE LYS 39 2.404 7.220 5.515 1.00 0.00 ATOM 303 NZ LYS 39 2.595 8.183 6.634 1.00 0.00 ATOM 304 O LYS 39 0.235 7.986 -0.999 1.00 0.00 ATOM 305 C LYS 39 -0.281 7.214 -0.193 1.00 0.00 ATOM 306 N ASP 40 -1.577 6.882 -0.224 1.00 0.00 ATOM 307 CA ASP 40 -2.486 7.507 -1.124 1.00 0.00 ATOM 308 CB ASP 40 -2.989 6.502 -2.162 1.00 0.00 ATOM 309 CG ASP 40 -1.888 6.016 -3.084 1.00 0.00 ATOM 310 OD1 ASP 40 -1.296 6.854 -3.795 1.00 0.00 ATOM 311 OD2 ASP 40 -1.617 4.797 -3.095 1.00 0.00 ATOM 312 O ASP 40 -3.930 7.394 0.743 1.00 0.00 ATOM 313 C ASP 40 -3.603 8.002 -0.274 1.00 0.00 ATOM 314 N GLY 41 -4.212 9.138 -0.655 1.00 0.00 ATOM 315 CA GLY 41 -5.245 9.701 0.162 1.00 0.00 ATOM 316 O GLY 41 -3.338 10.767 1.049 1.00 0.00 ATOM 317 C GLY 41 -4.566 10.727 0.999 1.00 0.00 ATOM 318 N ILE 42 -5.343 11.606 1.662 1.00 0.00 ATOM 319 CA ILE 42 -4.699 12.601 2.460 1.00 0.00 ATOM 320 CB ILE 42 -4.957 14.017 1.913 1.00 0.00 ATOM 321 CG1 ILE 42 -4.435 14.139 0.480 1.00 0.00 ATOM 322 CG2 ILE 42 -4.254 15.057 2.773 1.00 0.00 ATOM 323 CD1 ILE 42 -4.805 15.441 -0.196 1.00 0.00 ATOM 324 O ILE 42 -6.366 12.846 4.167 1.00 0.00 ATOM 325 C ILE 42 -5.214 12.542 3.868 1.00 0.00 ATOM 326 N PRO 43 -4.342 12.117 4.732 1.00 0.00 ATOM 327 CA PRO 43 -4.599 12.104 6.145 1.00 0.00 ATOM 328 CB PRO 43 -3.711 10.975 6.672 1.00 0.00 ATOM 329 CG PRO 43 -2.491 11.028 5.815 1.00 0.00 ATOM 330 CD PRO 43 -2.968 11.371 4.432 1.00 0.00 ATOM 331 O PRO 43 -3.832 14.238 5.653 1.00 0.00 ATOM 332 C PRO 43 -4.184 13.472 6.546 1.00 0.00 ATOM 333 N MET 44 -4.219 13.822 7.844 1.00 0.00 ATOM 334 CA MET 44 -3.755 15.131 8.179 1.00 0.00 ATOM 335 CB MET 44 -3.960 15.407 9.670 1.00 0.00 ATOM 336 CG MET 44 -5.417 15.432 10.102 1.00 0.00 ATOM 337 SD MET 44 -6.370 16.710 9.260 1.00 0.00 ATOM 338 CE MET 44 -5.862 18.167 10.169 1.00 0.00 ATOM 339 O MET 44 -1.483 14.502 8.471 1.00 0.00 ATOM 340 C MET 44 -2.309 15.150 7.832 1.00 0.00 ATOM 341 N MET 45 -1.986 15.913 6.778 1.00 0.00 ATOM 342 CA MET 45 -0.653 16.000 6.282 1.00 0.00 ATOM 343 CB MET 45 -0.377 14.871 5.287 1.00 0.00 ATOM 344 CG MET 45 -0.457 13.478 5.891 1.00 0.00 ATOM 345 SD MET 45 0.804 13.191 7.148 1.00 0.00 ATOM 346 CE MET 45 2.280 13.121 6.136 1.00 0.00 ATOM 347 O MET 45 -1.038 18.318 6.178 1.00 0.00 ATOM 348 C MET 45 -0.575 17.323 5.625 1.00 0.00 ATOM 349 N LEU 46 0.033 17.385 4.430 1.00 0.00 ATOM 350 CA LEU 46 0.107 18.671 3.814 1.00 0.00 ATOM 351 CB LEU 46 1.087 18.647 2.639 1.00 0.00 ATOM 352 CG LEU 46 1.333 19.982 1.934 1.00 0.00 ATOM 353 CD1 LEU 46 1.995 20.974 2.878 1.00 0.00 ATOM 354 CD2 LEU 46 2.241 19.794 0.729 1.00 0.00 ATOM 355 O LEU 46 -1.749 18.454 2.354 1.00 0.00 ATOM 356 C LEU 46 -1.257 19.022 3.327 1.00 0.00 ATOM 357 N GLU 47 -1.910 19.975 4.017 1.00 0.00 ATOM 358 CA GLU 47 -3.208 20.433 3.623 1.00 0.00 ATOM 359 CB GLU 47 -4.279 19.414 4.019 1.00 0.00 ATOM 360 CG GLU 47 -5.690 19.807 3.612 1.00 0.00 ATOM 361 CD GLU 47 -6.720 18.768 4.008 1.00 0.00 ATOM 362 OE1 GLU 47 -6.345 17.784 4.679 1.00 0.00 ATOM 363 OE2 GLU 47 -7.904 18.939 3.648 1.00 0.00 ATOM 364 O GLU 47 -2.971 21.889 5.464 1.00 0.00 ATOM 365 C GLU 47 -3.421 21.722 4.332 1.00 0.00 ATOM 366 N SER 48 -4.124 22.670 3.683 1.00 0.00 ATOM 367 CA SER 48 -4.351 23.941 4.301 1.00 0.00 ATOM 368 CB SER 48 -4.928 24.933 3.289 1.00 0.00 ATOM 369 OG SER 48 -5.232 26.172 3.906 1.00 0.00 ATOM 370 O SER 48 -6.280 22.962 5.281 1.00 0.00 ATOM 371 C SER 48 -5.319 23.719 5.414 1.00 0.00 ATOM 372 N GLU 49 -5.076 24.375 6.562 1.00 0.00 ATOM 373 CA GLU 49 -5.967 24.199 7.662 1.00 0.00 ATOM 374 CB GLU 49 -5.872 22.772 8.206 1.00 0.00 ATOM 375 CG GLU 49 -4.521 22.428 8.812 1.00 0.00 ATOM 376 CD GLU 49 -4.427 20.976 9.238 1.00 0.00 ATOM 377 OE1 GLU 49 -5.263 20.542 10.058 1.00 0.00 ATOM 378 OE2 GLU 49 -3.516 20.272 8.753 1.00 0.00 ATOM 379 O GLU 49 -4.647 25.953 8.560 1.00 0.00 ATOM 380 C GLU 49 -5.580 25.170 8.724 1.00 0.00 ATOM 381 N ALA 50 -6.323 25.139 9.842 1.00 0.00 ATOM 382 CA ALA 50 -6.128 26.002 10.963 1.00 0.00 ATOM 383 CB ALA 50 -7.165 25.717 12.038 1.00 0.00 ATOM 384 O ALA 50 -4.117 26.687 11.991 1.00 0.00 ATOM 385 C ALA 50 -4.761 25.758 11.508 1.00 0.00 ATOM 386 N ARG 51 -4.275 24.500 11.443 1.00 0.00 ATOM 387 CA ARG 51 -3.010 24.205 12.051 1.00 0.00 ATOM 388 CB ARG 51 -2.618 22.749 11.793 1.00 0.00 ATOM 389 CG ARG 51 -3.461 21.736 12.550 1.00 0.00 ATOM 390 CD ARG 51 -3.049 20.312 12.212 1.00 0.00 ATOM 391 NE ARG 51 -3.882 19.325 12.894 1.00 0.00 ATOM 392 CZ ARG 51 -3.770 18.011 12.729 1.00 0.00 ATOM 393 NH1 ARG 51 -4.572 17.188 13.391 1.00 0.00 ATOM 394 NH2 ARG 51 -2.856 17.522 11.902 1.00 0.00 ATOM 395 O ARG 51 -1.236 25.769 12.224 1.00 0.00 ATOM 396 C ARG 51 -1.950 25.098 11.480 1.00 0.00 ATOM 397 N GLU 52 -1.843 25.178 10.142 1.00 0.00 ATOM 398 CA GLU 52 -0.842 26.030 9.572 1.00 0.00 ATOM 399 CB GLU 52 -0.786 25.849 8.054 1.00 0.00 ATOM 400 CG GLU 52 -0.224 24.509 7.609 1.00 0.00 ATOM 401 CD GLU 52 -0.269 24.329 6.104 1.00 0.00 ATOM 402 OE1 GLU 52 -0.797 25.227 5.414 1.00 0.00 ATOM 403 OE2 GLU 52 0.224 23.291 5.615 1.00 0.00 ATOM 404 O GLU 52 -0.351 28.286 10.146 1.00 0.00 ATOM 405 C GLU 52 -1.207 27.436 9.903 1.00 0.00 ATOM 406 N LEU 53 -2.520 27.697 9.942 1.00 0.00 ATOM 407 CA LEU 53 -3.055 29.007 10.145 1.00 0.00 ATOM 408 CB LEU 53 -4.582 28.981 10.061 1.00 0.00 ATOM 409 CG LEU 53 -5.181 28.695 8.683 1.00 0.00 ATOM 410 CD1 LEU 53 -6.691 28.533 8.775 1.00 0.00 ATOM 411 CD2 LEU 53 -4.883 29.835 7.721 1.00 0.00 ATOM 412 O LEU 53 -2.583 30.759 11.650 1.00 0.00 ATOM 413 C LEU 53 -2.671 29.542 11.489 1.00 0.00 ATOM 414 N ALA 54 -2.482 28.671 12.503 1.00 0.00 ATOM 415 CA ALA 54 -2.298 29.196 13.825 1.00 0.00 ATOM 416 CB ALA 54 -3.229 28.500 14.806 1.00 0.00 ATOM 417 O ALA 54 -0.414 27.914 14.516 1.00 0.00 ATOM 418 C ALA 54 -0.904 29.032 14.370 1.00 0.00 ATOM 419 N PRO 55 -0.245 30.131 14.674 1.00 0.00 ATOM 420 CA PRO 55 1.014 30.053 15.373 1.00 0.00 ATOM 421 CB PRO 55 1.802 31.257 14.852 1.00 0.00 ATOM 422 CG PRO 55 0.764 32.294 14.582 1.00 0.00 ATOM 423 CD PRO 55 -0.441 31.555 14.072 1.00 0.00 ATOM 424 O PRO 55 -0.160 30.837 17.253 1.00 0.00 ATOM 425 C PRO 55 0.764 30.134 16.853 1.00 0.00 ATOM 426 N GLU 56 1.592 29.474 17.688 1.00 0.00 ATOM 427 CA GLU 56 1.435 29.546 19.117 1.00 0.00 ATOM 428 CB GLU 56 1.777 30.949 19.624 1.00 0.00 ATOM 429 CG GLU 56 3.220 31.361 19.382 1.00 0.00 ATOM 430 CD GLU 56 3.529 32.744 19.920 1.00 0.00 ATOM 431 OE1 GLU 56 2.598 33.406 20.427 1.00 0.00 ATOM 432 OE2 GLU 56 4.701 33.166 19.836 1.00 0.00 ATOM 433 O GLU 56 -0.585 29.905 20.311 1.00 0.00 ATOM 434 C GLU 56 0.020 29.231 19.479 1.00 0.00 ATOM 435 N GLU 57 -0.544 28.187 18.850 1.00 0.00 ATOM 436 CA GLU 57 -1.873 27.736 19.137 1.00 0.00 ATOM 437 CB GLU 57 -2.003 27.356 20.613 1.00 0.00 ATOM 438 CG GLU 57 -1.099 26.212 21.042 1.00 0.00 ATOM 439 CD GLU 57 -1.256 25.863 22.509 1.00 0.00 ATOM 440 OE1 GLU 57 -2.015 26.566 23.208 1.00 0.00 ATOM 441 OE2 GLU 57 -0.621 24.886 22.958 1.00 0.00 ATOM 442 O GLU 57 -4.024 28.737 19.200 1.00 0.00 ATOM 443 C GLU 57 -2.855 28.826 18.830 1.00 0.00 ATOM 444 N GLU 58 -2.432 29.869 18.095 1.00 0.00 ATOM 445 CA GLU 58 -3.362 30.913 17.777 1.00 0.00 ATOM 446 CB GLU 58 -2.913 32.238 18.396 1.00 0.00 ATOM 447 CG GLU 58 -3.846 33.404 18.113 1.00 0.00 ATOM 448 CD GLU 58 -3.388 34.690 18.772 1.00 0.00 ATOM 449 OE1 GLU 58 -2.308 34.684 19.400 1.00 0.00 ATOM 450 OE2 GLU 58 -4.109 35.704 18.660 1.00 0.00 ATOM 451 O GLU 58 -2.373 31.202 15.659 1.00 0.00 ATOM 452 C GLU 58 -3.404 31.030 16.299 1.00 0.00 ATOM 453 N VAL 59 -4.619 30.963 15.725 1.00 0.00 ATOM 454 CA VAL 59 -4.834 30.935 14.305 1.00 0.00 ATOM 455 CB VAL 59 -6.015 30.020 13.931 1.00 0.00 ATOM 456 CG1 VAL 59 -5.740 28.590 14.368 1.00 0.00 ATOM 457 CG2 VAL 59 -7.291 30.493 14.610 1.00 0.00 ATOM 458 O VAL 59 -5.432 33.181 14.727 1.00 0.00 ATOM 459 C VAL 59 -5.129 32.345 13.878 1.00 0.00 ATOM 460 N LYS 60 -4.984 32.654 12.561 1.00 0.00 ATOM 461 CA LYS 60 -5.351 33.942 12.015 1.00 0.00 ATOM 462 CB LYS 60 -4.122 34.846 11.902 1.00 0.00 ATOM 463 CG LYS 60 -3.526 35.254 13.239 1.00 0.00 ATOM 464 CD LYS 60 -2.414 36.275 13.060 1.00 0.00 ATOM 465 CE LYS 60 -1.867 36.736 14.400 1.00 0.00 ATOM 466 NZ LYS 60 -0.612 37.523 14.247 1.00 0.00 ATOM 467 O LYS 60 -5.218 33.696 9.650 1.00 0.00 ATOM 468 C LYS 60 -5.951 33.740 10.637 1.00 0.00 ATOM 469 N LEU 61 -7.297 33.627 10.528 1.00 0.00 ATOM 470 CA LEU 61 -7.956 33.357 9.263 1.00 0.00 ATOM 471 CB LEU 61 -9.426 33.000 9.490 1.00 0.00 ATOM 472 CG LEU 61 -9.701 31.658 10.171 1.00 0.00 ATOM 473 CD1 LEU 61 -11.185 31.499 10.466 1.00 0.00 ATOM 474 CD2 LEU 61 -9.267 30.505 9.280 1.00 0.00 ATOM 475 O LEU 61 -7.456 34.319 7.132 1.00 0.00 ATOM 476 C LEU 61 -7.989 34.469 8.230 1.00 0.00 ATOM 477 N GLU 62 -8.585 35.636 8.554 1.00 0.00 ATOM 478 CA GLU 62 -8.736 36.708 7.596 1.00 0.00 ATOM 479 CB GLU 62 -7.367 37.212 7.136 1.00 0.00 ATOM 480 CG GLU 62 -6.517 37.803 8.249 1.00 0.00 ATOM 481 CD GLU 62 -5.181 38.318 7.751 1.00 0.00 ATOM 482 OE1 GLU 62 -4.894 38.158 6.546 1.00 0.00 ATOM 483 OE2 GLU 62 -4.420 38.881 8.566 1.00 0.00 ATOM 484 O GLU 62 -9.190 36.675 5.270 1.00 0.00 ATOM 485 C GLU 62 -9.498 36.244 6.381 1.00 0.00 ATOM 486 N HIS 63 -10.520 35.370 6.536 1.00 0.00 ATOM 487 CA HIS 63 -11.242 34.935 5.368 1.00 0.00 ATOM 488 CB HIS 63 -10.526 33.758 4.703 1.00 0.00 ATOM 489 CG HIS 63 -11.093 33.381 3.370 1.00 0.00 ATOM 490 CD2 HIS 63 -11.883 34.055 2.349 1.00 0.00 ATOM 491 ND1 HIS 63 -10.924 32.131 2.815 1.00 0.00 ATOM 492 CE1 HIS 63 -11.542 32.094 1.622 1.00 0.00 ATOM 493 NE2 HIS 63 -12.120 33.245 1.336 1.00 0.00 ATOM 494 O HIS 63 -12.773 33.658 6.676 1.00 0.00 ATOM 495 C HIS 63 -12.616 34.513 5.807 1.00 0.00 ATOM 496 N HIS 64 -13.656 35.089 5.173 1.00 0.00 ATOM 497 CA HIS 64 -15.025 34.864 5.545 1.00 0.00 ATOM 498 CB HIS 64 -15.961 35.717 4.686 1.00 0.00 ATOM 499 CG HIS 64 -15.914 37.178 5.010 1.00 0.00 ATOM 500 CD2 HIS 64 -15.524 38.387 4.299 1.00 0.00 ATOM 501 ND1 HIS 64 -16.299 37.681 6.233 1.00 0.00 ATOM 502 CE1 HIS 64 -16.146 39.018 6.224 1.00 0.00 ATOM 503 NE2 HIS 64 -15.682 39.448 5.067 1.00 0.00 ATOM 504 O HIS 64 -16.129 32.882 6.211 1.00 0.00 ATOM 505 C HIS 64 -15.421 33.431 5.367 1.00 0.00 ATOM 506 N HIS 65 -14.982 32.771 4.281 1.00 0.00 ATOM 507 CA HIS 65 -15.426 31.418 4.100 1.00 0.00 ATOM 508 CB HIS 65 -16.116 31.257 2.744 1.00 0.00 ATOM 509 CG HIS 65 -17.329 32.119 2.577 1.00 0.00 ATOM 510 CD2 HIS 65 -17.634 33.357 1.875 1.00 0.00 ATOM 511 ND1 HIS 65 -18.540 31.821 3.162 1.00 0.00 ATOM 512 CE1 HIS 65 -19.432 32.773 2.833 1.00 0.00 ATOM 513 NE2 HIS 65 -18.895 33.698 2.061 1.00 0.00 ATOM 514 O HIS 65 -13.104 30.919 4.211 1.00 0.00 ATOM 515 C HIS 65 -14.256 30.491 4.158 1.00 0.00 ATOM 516 N HIS 66 -14.537 29.171 4.174 1.00 0.00 ATOM 517 CA HIS 66 -13.476 28.210 4.249 1.00 0.00 ATOM 518 CB HIS 66 -14.041 26.788 4.260 1.00 0.00 ATOM 519 CG HIS 66 -13.035 25.741 4.625 1.00 0.00 ATOM 520 CD2 HIS 66 -12.728 24.968 5.819 1.00 0.00 ATOM 521 ND1 HIS 66 -12.090 25.275 3.737 1.00 0.00 ATOM 522 CE1 HIS 66 -11.334 24.346 4.349 1.00 0.00 ATOM 523 NE2 HIS 66 -11.711 24.157 5.598 1.00 0.00 ATOM 524 O HIS 66 -13.115 28.488 1.925 1.00 0.00 ATOM 525 C HIS 66 -12.618 28.414 3.047 1.00 0.00 ATOM 526 N HIS 67 -11.291 28.521 3.256 1.00 0.00 ATOM 527 CA HIS 67 -10.437 28.687 2.120 1.00 0.00 ATOM 528 CB HIS 67 -8.990 28.906 2.565 1.00 0.00 ATOM 529 CG HIS 67 -8.084 29.372 1.468 1.00 0.00 ATOM 530 CD2 HIS 67 -7.505 30.648 1.071 1.00 0.00 ATOM 531 ND1 HIS 67 -7.578 28.523 0.509 1.00 0.00 ATOM 532 CE1 HIS 67 -6.803 29.227 -0.335 1.00 0.00 ATOM 533 NE2 HIS 67 -6.755 30.503 -0.004 1.00 0.00 ATOM 534 O HIS 67 -10.517 26.334 1.902 1.00 0.00 ATOM 535 C HIS 67 -10.573 27.428 1.343 1.00 0.00 ATOM 536 N HIS 68 -10.769 27.551 0.019 1.00 0.00 ATOM 537 CA HIS 68 -10.938 26.372 -0.768 1.00 0.00 ATOM 538 CB HIS 68 -11.552 26.718 -2.126 1.00 0.00 ATOM 539 CG HIS 68 -12.916 27.328 -2.035 1.00 0.00 ATOM 540 CD2 HIS 68 -13.491 28.632 -2.329 1.00 0.00 ATOM 541 ND1 HIS 68 -14.015 26.630 -1.584 1.00 0.00 ATOM 542 CE1 HIS 68 -15.090 27.438 -1.616 1.00 0.00 ATOM 543 NE2 HIS 68 -14.783 28.641 -2.062 1.00 0.00 ATOM 544 O HIS 68 -8.828 25.668 0.081 1.00 0.00 ATOM 545 C HIS 68 -9.551 25.775 -0.945 1.00 0.00 ENDMDL