 |
| home | start a new run | job status | references&downloads | examples | help |
Should you encounter any unexpected behaviour,
|
*** fii_dps ***elNémo ID: 220810210951131878Job options:ID = 220810210951131878 JOBID = fii_dps USERID = unknown PRIVAT = 0 NMODES = 25 DQMIN = -100 DQMAX = 100 DQSTEP = 20 DOGRAPHS = on DOPROJMODS = 0 DORMSD = 0 NRBL = 0 CUTOFF = 0 CAONLY = 0 Input data for this run:HEADER fii_dps REMARK GENERATED BY CHARMM-GUI (HTTP://WWW.CHARMM-GUI.ORG) V3.7 ON JUN, 29. 2022. JOB REMARK READ PDB, MANIPULATE STRUCTURE IF NEEDED, AND GENERATE TOPOLOGY FILE REMARK DATE: 6/29/22 17:43: 1 CREATED BY USER: apache SEQRES 1 P 52 ALA ASN THR PHE LEU CGU CGU VAL ARG LYS GLY ASN LEU SEQRES 2 P 52 CGU ARG CGU CYS VAL CGU CGU THR CYS SER TYR CGU CGU SEQRES 3 P 52 ALA PHE CGU ALA LEU GLU SER SER THR ALA THR ASP VAL SEQRES 4 P 52 PHE TRP ALA LYS TYR THR ALA CYS GLU THR ALA ARG THR HELIX 1 1 LEU P 13 VAL P 18 1 6 HELIX 2 2 TYR P 24 ALA P 30 1 7 HELIX 3 3 SER P 34 THR P 45 1 12 HELIX 4 4 ALA P 46 THR P 49 1 4 MODEL 1 ATOM 1 N ALA P 1 2.349 32.965 124.748 1.00 0.00 N ATOM 2 HT1 ALA P 1 2.003 33.885 124.407 1.00 0.00 H ATOM 3 HT2 ALA P 1 2.882 32.492 123.990 1.00 0.00 H ATOM 4 HT3 ALA P 1 2.971 33.111 125.569 1.00 0.00 H ATOM 5 CA ALA P 1 1.196 32.118 125.145 1.00 0.00 C ATOM 6 HA ALA P 1 0.668 31.836 124.246 1.00 0.00 H ATOM 7 CB ALA P 1 1.676 30.879 125.892 1.00 0.00 C ATOM 8 HB1 ALA P 1 2.230 31.176 126.808 1.00 0.00 H ATOM 9 HB2 ALA P 1 2.355 30.286 125.243 1.00 0.00 H ATOM 10 HB3 ALA P 1 0.806 30.256 126.190 1.00 0.00 H ATOM 11 C ALA P 1 0.257 32.922 126.020 1.00 0.00 C ATOM 12 O ALA P 1 0.630 33.996 126.497 1.00 0.00 O ATOM 13 N ASN P 2 -0.954 32.399 126.234 1.00 0.00 N ATOM 14 HN ASN P 2 -1.248 31.550 125.802 1.00 0.00 H ATOM 15 CA ASN P 2 -1.931 33.043 127.122 1.00 0.00 C ATOM 16 HA ASN P 2 -1.390 33.656 127.828 1.00 0.00 H ATOM 17 CB ASN P 2 -2.906 33.900 126.309 1.00 0.00 C ATOM 18 HB1 ASN P 2 -3.746 34.213 126.965 1.00 0.00 H ATOM 19 HB2 ASN P 2 -3.307 33.294 125.469 1.00 0.00 H ATOM 20 CG ASN P 2 -2.256 35.133 125.741 1.00 0.00 C ATOM 21 OD1 ASN P 2 -1.363 35.732 126.354 1.00 0.00 O ATOM 22 ND2 ASN P 2 -2.697 35.521 124.552 1.00 0.00 N ATOM 23 HD21 ASN P 2 -2.138 36.124 123.983 1.00 0.00 H ATOM 24 HD22 ASN P 2 -3.590 35.210 124.224 1.00 0.00 H ATOM 25 C ASN P 2 -2.724 32.104 128.042 1.00 0.00 C ATOM 26 O ASN P 2 -3.947 32.161 128.068 1.00 0.00 O ATOM 27 N THR P 3 -2.031 31.270 128.815 1.00 0.00 N ATOM 28 HN THR P 3 -1.036 31.224 128.783 1.00 0.00 H ATOM 29 CA THR P 3 -2.690 30.358 129.771 1.00 0.00 C ATOM 30 HA THR P 3 -3.398 29.759 129.218 1.00 0.00 H ATOM 31 CB THR P 3 -1.659 29.429 130.506 1.00 0.00 C ATOM 32 HB THR P 3 -2.069 29.118 131.491 1.00 0.00 H ATOM 33 OG1 THR P 3 -0.423 30.133 130.718 1.00 0.00 O ATOM 34 HG1 THR P 3 -0.642 30.896 131.258 1.00 0.00 H ATOM 35 CG2 THR P 3 -1.391 28.148 129.714 1.00 0.00 C ATOM 36 HG21 THR P 3 -0.978 28.397 128.713 1.00 0.00 H ATOM 37 HG22 THR P 3 -2.338 27.584 129.576 1.00 0.00 H ATOM 38 HG23 THR P 3 -0.654 27.516 130.255 1.00 0.00 H ATOM 39 C THR P 3 -3.639 31.039 130.804 1.00 0.00 C ATOM 40 O THR P 3 -3.307 31.202 131.987 1.00 0.00 O ATOM 41 N PHE P 4 -4.834 31.401 130.357 1.00 0.00 N ATOM 42 HN PHE P 4 -5.120 31.246 129.415 1.00 0.00 H ATOM 43 CA PHE P 4 -5.799 32.049 131.224 1.00 0.00 C ATOM 44 HA PHE P 4 -6.627 32.379 130.614 1.00 0.00 H ATOM 45 CB PHE P 4 -6.297 31.078 132.322 1.00 0.00 C ATOM 46 HB1 PHE P 4 -7.157 31.541 132.851 1.00 0.00 H ATOM 47 HB2 PHE P 4 -5.468 30.885 133.036 1.00 0.00 H ATOM 48 CG PHE P 4 -6.769 29.719 131.811 1.00 0.00 C ATOM 49 CD1 PHE P 4 -8.076 29.511 131.354 1.00 0.00 C ATOM 50 HD1 PHE P 4 -8.779 30.332 131.361 1.00 0.00 H ATOM 51 CE1 PHE P 4 -8.489 28.253 130.888 1.00 0.00 C ATOM 52 HE1 PHE P 4 -9.504 28.109 130.548 1.00 0.00 H ATOM 53 CZ PHE P 4 -7.588 27.192 130.865 1.00 0.00 C ATOM 54 HZ PHE P 4 -7.902 26.223 130.507 1.00 0.00 H ATOM 55 CD2 PHE P 4 -5.881 28.645 131.768 1.00 0.00 C ATOM 56 HD2 PHE P 4 -4.862 28.785 132.098 1.00 0.00 H ATOM 57 CE2 PHE P 4 -6.286 27.385 131.303 1.00 0.00 C ATOM 58 HE2 PHE P 4 -5.585 26.564 131.285 1.00 0.00 H ATOM 59 C PHE P 4 -5.187 33.337 131.777 1.00 0.00 C ATOM 60 O PHE P 4 -4.940 34.261 131.009 1.00 0.00 O ATOM 61 N LEU P 5 -4.845 33.323 133.141 1.00 0.00 N ATOM 62 HN LEU P 5 -4.654 32.495 133.662 1.00 0.00 H ATOM 63 CA LEU P 5 -4.766 34.615 133.836 1.00 0.00 C ATOM 64 HA LEU P 5 -5.696 35.140 133.676 1.00 0.00 H ATOM 65 CB LEU P 5 -4.526 34.402 135.323 1.00 0.00 C ATOM 66 HB1 LEU P 5 -4.130 35.340 135.768 1.00 0.00 H ATOM 67 HB2 LEU P 5 -3.776 33.594 135.461 1.00 0.00 H ATOM 68 CG LEU P 5 -5.817 34.015 136.031 1.00 0.00 C ATOM 69 HG LEU P 5 -6.252 33.121 135.536 1.00 0.00 H ATOM 70 CD1 LEU P 5 -5.564 33.703 137.492 1.00 0.00 C ATOM 71 HD11 LEU P 5 -5.137 34.592 138.004 1.00 0.00 H ATOM 72 HD12 LEU P 5 -4.842 32.863 137.580 1.00 0.00 H ATOM 73 HD13 LEU P 5 -6.518 33.430 137.991 1.00 0.00 H ATOM 74 CD2 LEU P 5 -6.829 35.127 135.888 1.00 0.00 C ATOM 75 HD21 LEU P 5 -7.180 35.190 134.836 1.00 0.00 H ATOM 76 HD22 LEU P 5 -6.366 36.098 136.166 1.00 0.00 H ATOM 77 HD23 LEU P 5 -7.704 34.928 136.543 1.00 0.00 H ATOM 78 C LEU P 5 -3.824 35.683 133.285 1.00 0.00 C ATOM 79 O LEU P 5 -4.271 36.565 132.567 1.00 0.00 O ATOM 80 N CGU P 6 -2.471 35.446 133.880 1.00 0.00 N ATOM 81 HN CGU P 6 -2.323 34.732 134.559 1.00 0.00 H ATOM 82 CA CGU P 6 -1.253 36.243 133.515 1.00 0.00 C ATOM 83 HA CGU P 6 -0.886 36.735 134.403 1.00 0.00 H ATOM 84 CB CGU P 6 -0.177 35.309 132.946 1.00 0.00 C ATOM 85 HB1 CGU P 6 -0.243 34.329 133.464 1.00 0.00 H ATOM 86 HB2 CGU P 6 0.822 35.752 133.142 1.00 0.00 H ATOM 87 CG CGU P 6 -0.329 35.084 131.448 1.00 0.00 C ATOM 88 HG CGU P 6 -0.888 35.937 131.009 1.00 0.00 H ATOM 89 CD1 CGU P 6 1.004 34.967 130.739 1.00 0.00 C ATOM 90 OE12 CGU P 6 1.731 33.977 130.968 1.00 0.00 O ATOM 91 OE11 CGU P 6 1.337 35.880 129.961 1.00 0.00 O ATOM 92 CD2 CGU P 6 -1.309 33.956 131.102 1.00 0.00 C ATOM 93 OE22 CGU P 6 -2.307 34.194 130.368 1.00 0.00 O ATOM 94 OE21 CGU P 6 -1.093 32.818 131.584 1.00 0.00 O ATOM 95 C CGU P 6 -1.294 37.510 132.607 1.00 0.00 C ATOM 96 O CGU P 6 -0.229 38.027 132.242 1.00 0.00 O ATOM 97 N CGU P 7 -2.470 38.008 132.235 1.00 0.00 N ATOM 98 HN CGU P 7 -3.340 37.592 132.487 1.00 0.00 H ATOM 99 CA CGU P 7 -2.525 39.217 131.421 1.00 0.00 C ATOM 100 HA CGU P 7 -1.524 39.438 131.080 1.00 0.00 H ATOM 101 CB CGU P 7 -3.450 39.037 130.219 1.00 0.00 C ATOM 102 HB1 CGU P 7 -3.518 39.991 129.654 1.00 0.00 H ATOM 103 HB2 CGU P 7 -4.466 38.755 130.569 1.00 0.00 H ATOM 104 CG CGU P 7 -2.901 37.948 129.316 1.00 0.00 C ATOM 105 HG CGU P 7 -2.754 37.031 129.925 1.00 0.00 H ATOM 106 CD1 CGU P 7 -3.780 37.584 128.132 1.00 0.00 C ATOM 107 OE12 CGU P 7 -3.478 38.010 126.996 1.00 0.00 O ATOM 108 OE11 CGU P 7 -4.757 36.828 128.327 1.00 0.00 O ATOM 109 CD2 CGU P 7 -1.454 38.176 128.915 1.00 0.00 C ATOM 110 OE22 CGU P 7 -0.581 37.458 129.444 1.00 0.00 O ATOM 111 OE21 CGU P 7 -1.183 39.067 128.080 1.00 0.00 O ATOM 112 C CGU P 7 -2.818 40.436 132.266 1.00 0.00 C ATOM 113 O CGU P 7 -3.033 41.526 131.761 1.00 0.00 O ATOM 114 N VAL P 8 -2.795 40.228 133.575 1.00 0.00 N ATOM 115 HN VAL P 8 -2.884 39.315 133.964 1.00 0.00 H ATOM 116 CA VAL P 8 -2.639 41.310 134.528 1.00 0.00 C ATOM 117 HA VAL P 8 -3.328 42.095 134.254 1.00 0.00 H ATOM 118 CB VAL P 8 -2.923 40.829 135.974 1.00 0.00 C ATOM 119 HB VAL P 8 -2.320 39.920 136.181 1.00 0.00 H ATOM 120 CG1 VAL P 8 -2.564 41.929 137.015 1.00 0.00 C ATOM 121 HG11 VAL P 8 -3.027 42.896 136.724 1.00 0.00 H ATOM 122 HG12 VAL P 8 -1.462 42.063 137.059 1.00 0.00 H ATOM 123 HG13 VAL P 8 -2.946 41.640 138.017 1.00 0.00 H ATOM 124 CG2 VAL P 8 -4.400 40.369 136.107 1.00 0.00 C ATOM 125 HG21 VAL P 8 -4.604 39.532 135.406 1.00 0.00 H ATOM 126 HG22 VAL P 8 -5.082 41.211 135.862 1.00 0.00 H ATOM 127 HG23 VAL P 8 -4.595 40.019 137.143 1.00 0.00 H ATOM 128 C VAL P 8 -1.197 41.818 134.427 1.00 0.00 C ATOM 129 O VAL P 8 -0.936 43.027 134.571 1.00 0.00 O ATOM 130 N ARG P 9 -0.276 40.882 134.169 1.00 0.00 N ATOM 131 HN ARG P 9 -0.529 39.928 134.030 1.00 0.00 H ATOM 132 CA ARG P 9 1.161 41.176 134.071 1.00 0.00 C ATOM 133 HA ARG P 9 1.414 41.876 134.853 1.00 0.00 H ATOM 134 CB ARG P 9 1.988 39.887 134.220 1.00 0.00 C ATOM 135 HB1 ARG P 9 2.960 40.149 134.687 1.00 0.00 H ATOM 136 HB2 ARG P 9 2.175 39.472 133.207 1.00 0.00 H ATOM 137 CG ARG P 9 1.325 38.804 135.066 1.00 0.00 C ATOM 138 HG1 ARG P 9 0.338 38.554 134.623 1.00 0.00 H ATOM 139 HG2 ARG P 9 1.169 39.194 136.094 1.00 0.00 H ATOM 140 CD ARG P 9 2.176 37.531 135.140 1.00 0.00 C ATOM 141 HD1 ARG P 9 2.289 37.102 134.121 1.00 0.00 H ATOM 142 HD2 ARG P 9 1.683 36.796 135.811 1.00 0.00 H ATOM 143 NE ARG P 9 3.528 37.772 135.668 1.00 0.00 N ATOM 144 HE ARG P 9 3.704 38.663 136.084 1.00 0.00 H ATOM 145 CZ ARG P 9 4.544 36.900 135.638 1.00 0.00 C ATOM 146 NH1 ARG P 9 4.463 35.771 134.937 1.00 0.00 N ATOM 147 HH11 ARG P 9 3.633 35.562 134.419 1.00 0.00 H ATOM 148 HH12 ARG P 9 5.232 35.132 134.927 1.00 0.00 H ATOM 149 NH2 ARG P 9 5.653 37.157 136.323 1.00 0.00 N ATOM 150 HH21 ARG P 9 5.727 37.999 136.858 1.00 0.00 H ATOM 151 HH22 ARG P 9 6.414 36.508 136.304 1.00 0.00 H ATOM 152 C ARG P 9 1.525 41.912 132.763 1.00 0.00 C ATOM 153 O ARG P 9 0.934 41.638 131.693 1.00 0.00 O ATOM 154 N LYS P 10 2.485 42.849 132.867 1.00 0.00 N ATOM 155 HN LYS P 10 2.867 43.104 133.752 1.00 0.00 H ATOM 156 CA LYS P 10 3.048 43.569 131.703 1.00 0.00 C ATOM 157 HA LYS P 10 2.225 43.984 131.141 1.00 0.00 H ATOM 158 CB LYS P 10 4.011 44.696 132.149 1.00 0.00 C ATOM 159 HB1 LYS P 10 3.555 45.208 133.022 1.00 0.00 H ATOM 160 HB2 LYS P 10 4.100 45.419 131.312 1.00 0.00 H ATOM 161 CG LYS P 10 5.433 44.258 132.548 1.00 0.00 C ATOM 162 HG1 LYS P 10 5.842 43.593 131.758 1.00 0.00 H ATOM 163 HG2 LYS P 10 5.383 43.693 133.503 1.00 0.00 H ATOM 164 CD LYS P 10 6.368 45.454 132.725 1.00 0.00 C ATOM 165 HD1 LYS P 10 5.900 46.182 133.421 1.00 0.00 H ATOM 166 HD2 LYS P 10 6.520 45.946 131.741 1.00 0.00 H ATOM 167 CE LYS P 10 7.716 45.030 133.282 1.00 0.00 C ATOM 168 HE1 LYS P 10 8.247 44.392 132.544 1.00 0.00 H ATOM 169 HE2 LYS P 10 7.575 44.476 134.234 1.00 0.00 H ATOM 170 NZ LYS P 10 8.571 46.214 133.563 1.00 0.00 N ATOM 171 HZ1 LYS P 10 8.099 46.825 134.260 1.00 0.00 H ATOM 172 HZ2 LYS P 10 8.726 46.746 132.683 1.00 0.00 H ATOM 173 HZ3 LYS P 10 9.486 45.898 133.942 1.00 0.00 H ATOM 174 C LYS P 10 3.752 42.597 130.742 1.00 0.00 C ATOM 175 O LYS P 10 4.346 41.601 131.185 1.00 0.00 O ATOM 176 N GLY P 11 3.682 42.879 129.439 1.00 0.00 N ATOM 177 HN GLY P 11 3.191 43.676 129.095 1.00 0.00 H ATOM 178 CA GLY P 11 4.327 42.029 128.426 1.00 0.00 C ATOM 179 HA1 GLY P 11 4.251 42.543 127.480 1.00 0.00 H ATOM 180 HA2 GLY P 11 3.778 41.100 128.390 1.00 0.00 H ATOM 181 C GLY P 11 5.802 41.712 128.689 1.00 0.00 C ATOM 182 O GLY P 11 6.547 42.553 129.206 1.00 0.00 O ATOM 183 N ASN P 12 6.211 40.484 128.360 1.00 0.00 N ATOM 184 HN ASN P 12 5.568 39.777 128.077 1.00 0.00 H ATOM 185 CA ASN P 12 7.629 40.081 128.389 1.00 0.00 C ATOM 186 HA ASN P 12 8.228 40.978 128.331 1.00 0.00 H ATOM 187 CB ASN P 12 7.973 39.298 129.671 1.00 0.00 C ATOM 188 HB1 ASN P 12 7.335 38.390 129.719 1.00 0.00 H ATOM 189 HB2 ASN P 12 7.760 39.940 130.552 1.00 0.00 H ATOM 190 CG ASN P 12 9.441 38.862 129.734 1.00 0.00 C ATOM 191 OD1 ASN P 12 10.263 39.212 128.877 1.00 0.00 O ATOM 192 ND2 ASN P 12 9.770 38.081 130.759 1.00 0.00 N ATOM 193 HD21 ASN P 12 10.712 37.760 130.861 1.00 0.00 H ATOM 194 HD22 ASN P 12 9.076 37.815 131.428 1.00 0.00 H ATOM 195 C ASN P 12 8.005 39.299 127.118 1.00 0.00 C ATOM 196 O ASN P 12 7.498 38.191 126.869 1.00 0.00 O ATOM 197 N LEU P 13 8.889 39.897 126.315 1.00 0.00 N ATOM 198 HN LEU P 13 9.287 40.782 126.542 1.00 0.00 H ATOM 199 CA LEU P 13 9.335 39.308 125.057 1.00 0.00 C ATOM 200 HA LEU P 13 8.470 39.179 124.423 1.00 0.00 H ATOM 201 CB LEU P 13 10.373 40.214 124.367 1.00 0.00 C ATOM 202 HB1 LEU P 13 11.360 39.963 124.805 1.00 0.00 H ATOM 203 HB2 LEU P 13 10.113 41.259 124.631 1.00 0.00 H ATOM 204 CG LEU P 13 10.538 40.167 122.834 1.00 0.00 C ATOM 205 HG LEU P 13 10.601 39.105 122.514 1.00 0.00 H ATOM 206 CD1 LEU P 13 9.373 40.842 122.086 1.00 0.00 C ATOM 207 HD11 LEU P 13 9.299 41.911 122.380 1.00 0.00 H ATOM 208 HD12 LEU P 13 8.417 40.337 122.341 1.00 0.00 H ATOM 209 HD13 LEU P 13 9.545 40.787 120.990 1.00 0.00 H ATOM 210 CD2 LEU P 13 11.872 40.794 122.398 1.00 0.00 C ATOM 211 HD21 LEU P 13 12.721 40.243 122.856 1.00 0.00 H ATOM 212 HD22 LEU P 13 11.918 41.854 122.728 1.00 0.00 H ATOM 213 HD23 LEU P 13 11.971 40.742 121.293 1.00 0.00 H ATOM 214 C LEU P 13 9.885 37.904 125.312 1.00 0.00 C ATOM 215 O LEU P 13 9.502 36.958 124.611 1.00 0.00 O ATOM 216 N CGU P 14 10.735 37.777 126.343 1.00 0.00 N ATOM 217 HN CGU P 14 10.986 38.554 126.914 1.00 0.00 H ATOM 218 CA CGU P 14 11.355 36.492 126.704 1.00 0.00 C ATOM 219 HA CGU P 14 11.780 36.065 125.808 1.00 0.00 H ATOM 220 CB CGU P 14 12.453 36.657 127.764 1.00 0.00 C ATOM 221 HB1 CGU P 14 12.004 37.093 128.681 1.00 0.00 H ATOM 222 HB2 CGU P 14 13.225 37.355 127.376 1.00 0.00 H ATOM 223 CG CGU P 14 13.126 35.322 128.126 1.00 0.00 C ATOM 224 HG CGU P 14 12.338 34.549 128.245 1.00 0.00 H ATOM 225 CD1 CGU P 14 14.128 34.825 127.080 1.00 0.00 C ATOM 226 OE12 CGU P 14 14.366 33.586 126.998 1.00 0.00 O ATOM 227 OE11 CGU P 14 14.681 35.670 126.334 1.00 0.00 O ATOM 228 CD2 CGU P 14 13.782 35.326 129.481 1.00 0.00 C ATOM 229 OE22 CGU P 14 14.295 36.390 129.872 1.00 0.00 O ATOM 230 OE21 CGU P 14 13.794 34.264 130.140 1.00 0.00 O ATOM 231 C CGU P 14 10.372 35.387 127.138 1.00 0.00 C ATOM 232 O CGU P 14 10.316 34.324 126.510 1.00 0.00 O ATOM 233 N ARG P 15 9.638 35.632 128.225 1.00 0.00 N ATOM 234 HN ARG P 15 9.732 36.484 128.733 1.00 0.00 H ATOM 235 CA ARG P 15 8.648 34.690 128.759 1.00 0.00 C ATOM 236 HA ARG P 15 9.166 33.800 129.083 1.00 0.00 H ATOM 237 CB ARG P 15 7.906 35.338 129.931 1.00 0.00 C ATOM 238 HB1 ARG P 15 7.310 36.187 129.537 1.00 0.00 H ATOM 239 HB2 ARG P 15 8.660 35.728 130.646 1.00 0.00 H ATOM 240 CG ARG P 15 6.962 34.404 130.694 1.00 0.00 C ATOM 241 HG1 ARG P 15 7.496 33.999 131.579 1.00 0.00 H ATOM 242 HG2 ARG P 15 6.676 33.561 130.029 1.00 0.00 H ATOM 243 CD ARG P 15 5.693 35.114 131.165 1.00 0.00 C ATOM 244 HD1 ARG P 15 5.140 34.451 131.864 1.00 0.00 H ATOM 245 HD2 ARG P 15 5.059 35.354 130.285 1.00 0.00 H ATOM 246 NE ARG P 15 5.951 36.374 131.871 1.00 0.00 N ATOM 247 HE ARG P 15 6.796 36.445 132.398 1.00 0.00 H ATOM 248 CZ ARG P 15 5.137 37.431 131.861 1.00 0.00 C ATOM 249 NH1 ARG P 15 3.998 37.399 131.180 1.00 0.00 N ATOM 250 HH11 ARG P 15 3.744 36.578 130.669 1.00 0.00 H ATOM 251 HH12 ARG P 15 3.394 38.195 131.177 1.00 0.00 H ATOM 252 NH2 ARG P 15 5.460 38.531 132.537 1.00 0.00 N ATOM 253 HH21 ARG P 15 4.931 39.369 132.410 1.00 0.00 H ATOM 254 HH22 ARG P 15 6.233 38.518 133.172 1.00 0.00 H ATOM 255 C ARG P 15 7.624 34.278 127.714 1.00 0.00 C ATOM 256 O ARG P 15 7.253 33.113 127.602 1.00 0.00 O ATOM 257 N CGU P 16 7.181 35.258 126.945 1.00 0.00 N ATOM 258 HN CGU P 16 7.607 36.159 126.925 1.00 0.00 H ATOM 259 CA CGU P 16 6.046 35.065 126.088 1.00 0.00 C ATOM 260 HA CGU P 16 5.549 34.151 126.378 1.00 0.00 H ATOM 261 CB CGU P 16 5.089 36.247 126.222 1.00 0.00 C ATOM 262 HB1 CGU P 16 4.282 36.143 125.466 1.00 0.00 H ATOM 263 HB2 CGU P 16 5.648 37.186 126.024 1.00 0.00 H ATOM 264 CG CGU P 16 4.460 36.331 127.606 1.00 0.00 C ATOM 265 HG CGU P 16 5.264 36.231 128.366 1.00 0.00 H ATOM 266 CD1 CGU P 16 3.709 37.636 127.878 1.00 0.00 C ATOM 267 OE12 CGU P 16 3.370 38.389 126.931 1.00 0.00 O ATOM 268 OE11 CGU P 16 3.441 37.909 129.064 1.00 0.00 O ATOM 269 CD2 CGU P 16 3.578 35.130 127.919 1.00 0.00 C ATOM 270 OE22 CGU P 16 3.555 34.692 129.080 1.00 0.00 O ATOM 271 OE21 CGU P 16 2.889 34.612 127.015 1.00 0.00 O ATOM 272 C CGU P 16 6.379 34.753 124.633 1.00 0.00 C ATOM 273 O CGU P 16 5.812 33.810 124.081 1.00 0.00 O ATOM 274 N CYS P 17 7.285 35.511 124.010 1.00 0.00 N ATOM 275 HN CYS P 17 7.790 36.238 124.468 1.00 0.00 H ATOM 276 CA CYS P 17 7.578 35.291 122.578 1.00 0.00 C ATOM 277 HA CYS P 17 6.824 34.624 122.188 1.00 0.00 H ATOM 278 CB CYS P 17 7.579 36.602 121.784 1.00 0.00 C ATOM 279 HB1 CYS P 17 8.174 36.446 120.860 1.00 0.00 H ATOM 280 HB2 CYS P 17 8.080 37.378 122.399 1.00 0.00 H ATOM 281 SG CYS P 17 5.915 37.198 121.322 1.00 0.00 S ATOM 282 C CYS P 17 8.841 34.490 122.281 1.00 0.00 C ATOM 283 O CYS P 17 9.058 34.092 121.130 1.00 0.00 O ATOM 284 N VAL P 18 9.639 34.241 123.324 1.00 0.00 N ATOM 285 HN VAL P 18 9.403 34.550 124.241 1.00 0.00 H ATOM 286 CA VAL P 18 10.911 33.504 123.216 1.00 0.00 C ATOM 287 HA VAL P 18 11.044 33.228 122.181 1.00 0.00 H ATOM 288 CB VAL P 18 12.115 34.358 123.698 1.00 0.00 C ATOM 289 HB VAL P 18 11.967 34.631 124.764 1.00 0.00 H ATOM 290 CG1 VAL P 18 13.423 33.585 123.553 1.00 0.00 C ATOM 291 HG11 VAL P 18 13.503 33.158 122.530 1.00 0.00 H ATOM 292 HG12 VAL P 18 13.454 32.753 124.288 1.00 0.00 H ATOM 293 HG13 VAL P 18 14.285 34.265 123.721 1.00 0.00 H ATOM 294 CG2 VAL P 18 12.185 35.681 122.926 1.00 0.00 C ATOM 295 HG21 VAL P 18 11.253 36.265 123.083 1.00 0.00 H ATOM 296 HG22 VAL P 18 12.298 35.479 121.839 1.00 0.00 H ATOM 297 HG23 VAL P 18 13.046 36.284 123.286 1.00 0.00 H ATOM 298 C VAL P 18 10.903 32.146 123.943 1.00 0.00 C ATOM 299 O VAL P 18 11.397 31.149 123.412 1.00 0.00 O ATOM 300 N CGU P 19 10.359 32.117 125.157 1.00 0.00 N ATOM 301 HN CGU P 19 10.058 32.945 125.623 1.00 0.00 H ATOM 302 CA CGU P 19 10.168 30.864 125.885 1.00 0.00 C ATOM 303 HA CGU P 19 11.016 30.227 125.684 1.00 0.00 H ATOM 304 CB CGU P 19 10.050 31.109 127.398 1.00 0.00 C ATOM 305 HB1 CGU P 19 9.565 30.226 127.864 1.00 0.00 H ATOM 306 HB2 CGU P 19 9.410 32.001 127.564 1.00 0.00 H ATOM 307 CG CGU P 19 11.400 31.342 128.080 1.00 0.00 C ATOM 308 HG CGU P 19 12.048 31.921 127.389 1.00 0.00 H ATOM 309 CD1 CGU P 19 11.319 32.095 129.387 1.00 0.00 C ATOM 310 OE12 CGU P 19 10.229 32.142 129.996 1.00 0.00 O ATOM 311 OE11 CGU P 19 12.378 32.605 129.823 1.00 0.00 O ATOM 312 CD2 CGU P 19 12.172 30.070 128.380 1.00 0.00 C ATOM 313 OE22 CGU P 19 11.615 28.960 128.182 1.00 0.00 O ATOM 314 OE21 CGU P 19 13.344 30.194 128.836 1.00 0.00 O ATOM 315 C CGU P 19 8.973 30.068 125.334 1.00 0.00 C ATOM 316 O CGU P 19 8.997 28.832 125.334 1.00 0.00 O ATOM 317 N CGU P 20 7.998 30.793 124.764 1.00 0.00 N ATOM 318 HN CGU P 20 8.049 31.788 124.736 1.00 0.00 H ATOM 319 CA CGU P 20 6.789 30.212 124.140 1.00 0.00 C ATOM 320 HA CGU P 20 6.911 29.140 124.097 1.00 0.00 H ATOM 321 CB CGU P 20 5.533 30.566 124.965 1.00 0.00 C ATOM 322 HB1 CGU P 20 4.686 29.956 124.587 1.00 0.00 H ATOM 323 HB2 CGU P 20 5.303 31.640 124.804 1.00 0.00 H ATOM 324 CG CGU P 20 5.662 30.324 126.476 1.00 0.00 C ATOM 325 HG CGU P 20 6.741 30.292 126.738 1.00 0.00 H ATOM 326 CD1 CGU P 20 5.003 31.380 127.329 1.00 0.00 C ATOM 327 OE12 CGU P 20 4.790 31.132 128.543 1.00 0.00 O ATOM 328 OE11 CGU P 20 4.694 32.461 126.799 1.00 0.00 O ATOM 329 CD2 CGU P 20 5.150 28.980 126.937 1.00 0.00 C ATOM 330 OE22 CGU P 20 5.538 28.534 128.040 1.00 0.00 O ATOM 331 OE21 CGU P 20 4.341 28.382 126.213 1.00 0.00 O ATOM 332 C CGU P 20 6.689 30.773 122.708 1.00 0.00 C ATOM 333 O CGU P 20 7.238 31.835 122.431 1.00 0.00 O ATOM 334 N THR P 21 6.167 30.205 121.740 1.00 0.00 N ATOM 335 HN THR P 21 5.905 29.244 121.771 1.00 0.00 H ATOM 336 CA THR P 21 5.894 30.908 120.469 1.00 0.00 C ATOM 337 HA THR P 21 6.733 31.560 120.279 1.00 0.00 H ATOM 338 CB THR P 21 5.687 29.955 119.246 1.00 0.00 C ATOM 339 HB THR P 21 5.339 30.542 118.369 1.00 0.00 H ATOM 340 OG1 THR P 21 4.708 28.956 119.549 1.00 0.00 O ATOM 341 HG1 THR P 21 3.950 29.427 119.902 1.00 0.00 H ATOM 342 CG2 THR P 21 7.004 29.268 118.856 1.00 0.00 C ATOM 343 HG21 THR P 21 7.388 28.667 119.708 1.00 0.00 H ATOM 344 HG22 THR P 21 7.765 30.032 118.590 1.00 0.00 H ATOM 345 HG23 THR P 21 6.836 28.591 117.991 1.00 0.00 H ATOM 346 C THR P 21 4.702 31.852 120.708 1.00 0.00 C ATOM 347 O THR P 21 4.116 31.814 121.791 1.00 0.00 O ATOM 348 N CYS P 22 4.350 32.711 119.749 1.00 0.00 N ATOM 349 HN CYS P 22 4.711 32.668 118.821 1.00 0.00 H ATOM 350 CA CYS P 22 3.377 33.794 120.046 1.00 0.00 C ATOM 351 HA CYS P 22 2.579 33.374 120.640 1.00 0.00 H ATOM 352 CB CYS P 22 4.065 34.941 120.807 1.00 0.00 C ATOM 353 HB1 CYS P 22 4.578 34.498 121.685 1.00 0.00 H ATOM 354 HB2 CYS P 22 3.270 35.625 121.169 1.00 0.00 H ATOM 355 SG CYS P 22 5.277 35.922 119.878 1.00 0.00 S ATOM 356 C CYS P 22 2.546 34.366 118.886 1.00 0.00 C ATOM 357 O CYS P 22 2.602 33.865 117.758 1.00 0.00 O ATOM 358 N SER P 23 1.772 35.416 119.190 1.00 0.00 N ATOM 359 HN SER P 23 1.742 35.780 120.117 1.00 0.00 H ATOM 360 CA SER P 23 0.914 36.118 118.218 1.00 0.00 C ATOM 361 HA SER P 23 1.103 35.702 117.239 1.00 0.00 H ATOM 362 CB SER P 23 -0.567 35.944 118.600 1.00 0.00 C ATOM 363 HB1 SER P 23 -0.871 34.889 118.432 1.00 0.00 H ATOM 364 HB2 SER P 23 -1.193 36.614 117.972 1.00 0.00 H ATOM 365 OG SER P 23 -0.790 36.267 119.968 1.00 0.00 O ATOM 366 HG1 SER P 23 -0.515 35.496 120.470 1.00 0.00 H ATOM 367 C SER P 23 1.279 37.618 118.093 1.00 0.00 C ATOM 368 O SER P 23 2.147 38.116 118.832 1.00 0.00 O ATOM 369 N TYR P 24 0.617 38.330 117.169 1.00 0.00 N ATOM 370 HN TYR P 24 -0.087 37.922 116.593 1.00 0.00 H ATOM 371 CA TYR P 24 0.887 39.763 116.944 1.00 0.00 C ATOM 372 HA TYR P 24 1.943 39.860 116.741 1.00 0.00 H ATOM 373 CB TYR P 24 0.076 40.382 115.774 1.00 0.00 C ATOM 374 HB1 TYR P 24 0.798 40.898 115.108 1.00 0.00 H ATOM 375 HB2 TYR P 24 -0.633 41.114 116.214 1.00 0.00 H ATOM 376 CG TYR P 24 -0.778 39.503 114.841 1.00 0.00 C ATOM 377 CD1 TYR P 24 -0.475 39.396 113.465 1.00 0.00 C ATOM 378 HD1 TYR P 24 0.390 39.907 113.069 1.00 0.00 H ATOM 379 CE1 TYR P 24 -1.288 38.630 112.599 1.00 0.00 C ATOM 380 HE1 TYR P 24 -1.032 38.538 111.554 1.00 0.00 H ATOM 381 CZ TYR P 24 -2.432 37.988 113.106 1.00 0.00 C ATOM 382 OH TYR P 24 -3.238 37.235 112.274 1.00 0.00 O ATOM 383 HH TYR P 24 -2.863 37.264 111.391 1.00 0.00 H ATOM 384 CD2 TYR P 24 -1.951 38.869 115.315 1.00 0.00 C ATOM 385 HD2 TYR P 24 -2.228 38.977 116.353 1.00 0.00 H ATOM 386 CE2 TYR P 24 -2.766 38.099 114.458 1.00 0.00 C ATOM 387 HE2 TYR P 24 -3.642 37.599 114.845 1.00 0.00 H ATOM 388 C TYR P 24 0.704 40.648 118.199 1.00 0.00 C ATOM 389 O TYR P 24 1.646 41.345 118.588 1.00 0.00 O ATOM 390 N CGU P 25 -0.496 40.626 118.804 1.00 0.00 N ATOM 391 HN CGU P 25 -1.220 40.009 118.505 1.00 0.00 H ATOM 392 CA CGU P 25 -0.839 41.508 119.955 1.00 0.00 C ATOM 393 HA CGU P 25 -0.486 42.503 119.726 1.00 0.00 H ATOM 394 CB CGU P 25 -2.366 41.551 120.230 1.00 0.00 C ATOM 395 HB1 CGU P 25 -2.744 40.508 120.264 1.00 0.00 H ATOM 396 HB2 CGU P 25 -2.857 42.085 119.390 1.00 0.00 H ATOM 397 CG CGU P 25 -2.758 42.253 121.547 1.00 0.00 C ATOM 398 HG CGU P 25 -2.151 41.822 122.371 1.00 0.00 H ATOM 399 CD1 CGU P 25 -2.547 43.751 121.544 1.00 0.00 C ATOM 400 OE12 CGU P 25 -2.266 44.296 122.630 1.00 0.00 O ATOM 401 OE11 CGU P 25 -2.712 44.388 120.481 1.00 0.00 O ATOM 402 CD2 CGU P 25 -4.201 42.086 121.945 1.00 0.00 C ATOM 403 OE22 CGU P 25 -5.045 41.840 121.060 1.00 0.00 O ATOM 404 OE21 CGU P 25 -4.488 42.257 123.150 1.00 0.00 O ATOM 405 C CGU P 25 -0.042 41.253 121.265 1.00 0.00 C ATOM 406 O CGU P 25 0.266 42.206 122.006 1.00 0.00 O ATOM 407 N CGU P 26 0.272 39.984 121.550 1.00 0.00 N ATOM 408 HN CGU P 26 -0.080 39.220 121.015 1.00 0.00 H ATOM 409 CA CGU P 26 1.156 39.632 122.670 1.00 0.00 C ATOM 410 HA CGU P 26 0.697 39.979 123.584 1.00 0.00 H ATOM 411 CB CGU P 26 1.374 38.116 122.742 1.00 0.00 C ATOM 412 HB1 CGU P 26 2.413 37.935 123.089 1.00 0.00 H ATOM 413 HB2 CGU P 26 1.259 37.704 121.718 1.00 0.00 H ATOM 414 CG CGU P 26 0.434 37.360 123.660 1.00 0.00 C ATOM 415 HG CGU P 26 -0.499 37.127 123.103 1.00 0.00 H ATOM 416 CD1 CGU P 26 0.061 38.132 124.913 1.00 0.00 C ATOM 417 OE12 CGU P 26 -1.104 38.555 125.023 1.00 0.00 O ATOM 418 OE11 CGU P 26 0.923 38.317 125.794 1.00 0.00 O ATOM 419 CD2 CGU P 26 1.034 36.047 124.081 1.00 0.00 C ATOM 420 OE22 CGU P 26 2.039 36.066 124.812 1.00 0.00 O ATOM 421 OE21 CGU P 26 0.518 34.995 123.670 1.00 0.00 O ATOM 422 C CGU P 26 2.496 40.338 122.491 1.00 0.00 C ATOM 423 O CGU P 26 3.037 40.935 123.436 1.00 0.00 O ATOM 424 N ALA P 27 3.007 40.251 121.260 1.00 0.00 N ATOM 425 HN ALA P 27 2.610 39.638 120.582 1.00 0.00 H ATOM 426 CA ALA P 27 4.155 41.016 120.799 1.00 0.00 C ATOM 427 HA ALA P 27 5.016 40.708 121.373 1.00 0.00 H ATOM 428 CB ALA P 27 4.394 40.771 119.305 1.00 0.00 C ATOM 429 HB1 ALA P 27 3.827 41.511 118.701 1.00 0.00 H ATOM 430 HB2 ALA P 27 4.051 39.751 119.029 1.00 0.00 H ATOM 431 HB3 ALA P 27 5.475 40.878 119.073 1.00 0.00 H ATOM 432 C ALA P 27 3.955 42.508 121.085 1.00 0.00 C ATOM 433 O ALA P 27 4.748 43.101 121.828 1.00 0.00 O ATOM 434 N PHE P 28 2.888 43.100 120.531 1.00 0.00 N ATOM 435 HN PHE P 28 2.250 42.603 119.948 1.00 0.00 H ATOM 436 CA PHE P 28 2.590 44.522 120.749 1.00 0.00 C ATOM 437 HA PHE P 28 3.423 45.090 120.363 1.00 0.00 H ATOM 438 CB PHE P 28 1.294 44.974 120.065 1.00 0.00 C ATOM 439 HB1 PHE P 28 0.481 44.256 120.303 1.00 0.00 H ATOM 440 HB2 PHE P 28 1.453 45.021 118.967 1.00 0.00 H ATOM 441 CG PHE P 28 0.835 46.342 120.514 1.00 0.00 C ATOM 442 CD1 PHE P 28 1.409 47.498 119.976 1.00 0.00 C ATOM 443 HD1 PHE P 28 2.174 47.411 119.219 1.00 0.00 H ATOM 444 CE1 PHE P 28 1.002 48.770 120.409 1.00 0.00 C ATOM 445 HE1 PHE P 28 1.449 49.655 119.980 1.00 0.00 H ATOM 446 CZ PHE P 28 0.011 48.892 121.403 1.00 0.00 C ATOM 447 HZ PHE P 28 -0.303 49.870 121.737 1.00 0.00 H ATOM 448 CD2 PHE P 28 -0.144 46.478 121.512 1.00 0.00 C ATOM 449 HD2 PHE P 28 -0.582 45.592 121.948 1.00 0.00 H ATOM 450 CE2 PHE P 28 -0.565 47.746 121.955 1.00 0.00 C ATOM 451 HE2 PHE P 28 -1.327 47.832 122.715 1.00 0.00 H ATOM 452 C PHE P 28 2.570 44.943 122.226 1.00 0.00 C ATOM 453 O PHE P 28 3.274 45.880 122.600 1.00 0.00 O ATOM 454 N CGU P 29 1.763 44.272 123.053 1.00 0.00 N ATOM 455 HN CGU P 29 1.182 43.527 122.735 1.00 0.00 H ATOM 456 CA CGU P 29 1.678 44.590 124.494 1.00 0.00 C ATOM 457 HA CGU P 29 1.174 45.539 124.597 1.00 0.00 H ATOM 458 CB CGU P 29 0.911 43.514 125.266 1.00 0.00 C ATOM 459 HB1 CGU P 29 1.085 43.683 126.349 1.00 0.00 H ATOM 460 HB2 CGU P 29 1.331 42.527 124.982 1.00 0.00 H ATOM 461 CG CGU P 29 -0.593 43.465 125.037 1.00 0.00 C ATOM 462 HG CGU P 29 -0.782 43.389 123.945 1.00 0.00 H ATOM 463 CD1 CGU P 29 -1.352 44.688 125.568 1.00 0.00 C ATOM 464 OE12 CGU P 29 -0.794 45.459 126.381 1.00 0.00 O ATOM 465 OE11 CGU P 29 -2.515 44.896 125.162 1.00 0.00 O ATOM 466 CD2 CGU P 29 -1.202 42.163 125.529 1.00 0.00 C ATOM 467 OE22 CGU P 29 -2.303 41.822 125.060 1.00 0.00 O ATOM 468 OE21 CGU P 29 -0.580 41.459 126.365 1.00 0.00 O ATOM 469 C CGU P 29 3.060 44.706 125.107 1.00 0.00 C ATOM 470 O CGU P 29 3.350 45.645 125.845 1.00 0.00 O ATOM 471 N ALA P 30 3.935 43.680 124.570 1.00 0.00 N ATOM 472 HN ALA P 30 3.729 42.997 123.879 1.00 0.00 H ATOM 473 CA ALA P 30 5.234 43.771 125.201 1.00 0.00 C ATOM 474 HA ALA P 30 5.083 43.821 126.269 1.00 0.00 H ATOM 475 CB ALA P 30 6.108 42.553 124.843 1.00 0.00 C ATOM 476 HB1 ALA P 30 6.256 42.499 123.743 1.00 0.00 H ATOM 477 HB2 ALA P 30 5.611 41.619 125.180 1.00 0.00 H ATOM 478 HB3 ALA P 30 7.102 42.645 125.330 1.00 0.00 H ATOM 479 C ALA P 30 5.988 45.025 124.802 1.00 0.00 C ATOM 480 O ALA P 30 6.602 45.671 125.645 1.00 0.00 O ATOM 481 N LEU P 31 5.943 45.397 123.506 1.00 0.00 N ATOM 482 HN LEU P 31 5.410 44.875 122.846 1.00 0.00 H ATOM 483 CA LEU P 31 6.634 46.547 122.950 1.00 0.00 C ATOM 484 HA LEU P 31 7.514 46.739 123.546 1.00 0.00 H ATOM 485 CB LEU P 31 7.021 46.239 121.487 1.00 0.00 C ATOM 486 HB1 LEU P 31 7.517 47.134 121.055 1.00 0.00 H ATOM 487 HB2 LEU P 31 6.095 46.028 120.911 1.00 0.00 H ATOM 488 CG LEU P 31 7.976 45.028 121.349 1.00 0.00 C ATOM 489 HG LEU P 31 7.551 44.164 121.902 1.00 0.00 H ATOM 490 CD1 LEU P 31 8.171 44.640 119.889 1.00 0.00 C ATOM 491 HD11 LEU P 31 8.606 45.491 119.323 1.00 0.00 H ATOM 492 HD12 LEU P 31 7.193 44.374 119.434 1.00 0.00 H ATOM 493 HD13 LEU P 31 8.864 43.775 119.817 1.00 0.00 H ATOM 494 CD2 LEU P 31 9.347 45.280 122.004 1.00 0.00 C ATOM 495 HD21 LEU P 31 9.220 45.485 123.088 1.00 0.00 H ATOM 496 HD22 LEU P 31 9.836 46.159 121.531 1.00 0.00 H ATOM 497 HD23 LEU P 31 9.993 44.384 121.886 1.00 0.00 H ATOM 498 C LEU P 31 5.785 47.801 123.011 1.00 0.00 C ATOM 499 O LEU P 31 4.575 47.733 123.201 1.00 0.00 O ATOM 500 N GLU P 32 6.401 49.002 122.876 1.00 0.00 N ATOM 501 HN GLU P 32 7.393 49.085 122.819 1.00 0.00 H ATOM 502 CA GLU P 32 5.650 50.244 122.806 1.00 0.00 C ATOM 503 HA GLU P 32 4.635 50.012 123.091 1.00 0.00 H ATOM 504 CB GLU P 32 6.180 51.383 123.700 1.00 0.00 C ATOM 505 HB1 GLU P 32 5.572 52.293 123.514 1.00 0.00 H ATOM 506 HB2 GLU P 32 7.235 51.592 123.422 1.00 0.00 H ATOM 507 CG GLU P 32 6.123 51.052 125.198 1.00 0.00 C ATOM 508 HG1 GLU P 32 6.850 50.246 125.435 1.00 0.00 H ATOM 509 HG2 GLU P 32 5.101 50.712 125.471 1.00 0.00 H ATOM 510 CD GLU P 32 6.473 52.304 125.998 1.00 0.00 C ATOM 511 OE1 GLU P 32 7.536 52.918 125.722 1.00 0.00 O ATOM 512 OE2 GLU P 32 5.672 52.675 126.895 1.00 0.00 O ATOM 513 C GLU P 32 5.578 50.784 121.406 1.00 0.00 C ATOM 514 O GLU P 32 4.645 51.524 121.087 1.00 0.00 O ATOM 515 N SER P 33 6.571 50.461 120.547 1.00 0.00 N ATOM 516 HN SER P 33 7.310 49.842 120.802 1.00 0.00 H ATOM 517 CA SER P 33 6.625 50.993 119.204 1.00 0.00 C ATOM 518 HA SER P 33 5.978 51.857 119.178 1.00 0.00 H ATOM 519 CB SER P 33 8.045 51.399 118.741 1.00 0.00 C ATOM 520 HB1 SER P 33 8.016 51.707 117.674 1.00 0.00 H ATOM 521 HB2 SER P 33 8.737 50.538 118.859 1.00 0.00 H ATOM 522 OG SER P 33 8.532 52.486 119.518 1.00 0.00 O ATOM 523 HG1 SER P 33 8.398 52.236 120.435 1.00 0.00 H ATOM 524 C SER P 33 6.082 49.982 118.242 1.00 0.00 C ATOM 525 O SER P 33 6.411 48.796 118.289 1.00 0.00 O ATOM 526 N SER P 34 5.233 50.464 117.311 1.00 0.00 N ATOM 527 HN SER P 34 4.976 51.426 117.316 1.00 0.00 H ATOM 528 CA SER P 34 4.625 49.694 116.252 1.00 0.00 C ATOM 529 HA SER P 34 4.283 48.762 116.677 1.00 0.00 H ATOM 530 CB SER P 34 3.437 50.448 115.600 1.00 0.00 C ATOM 531 HB1 SER P 34 2.688 50.693 116.383 1.00 0.00 H ATOM 532 HB2 SER P 34 2.970 49.796 114.832 1.00 0.00 H ATOM 533 OG SER P 34 3.836 51.663 114.970 1.00 0.00 O ATOM 534 HG1 SER P 34 3.900 51.466 114.032 1.00 0.00 H ATOM 535 C SER P 34 5.639 49.283 115.210 1.00 0.00 C ATOM 536 O SER P 34 5.572 48.179 114.675 1.00 0.00 O ATOM 537 N THR P 35 6.635 50.156 114.925 1.00 0.00 N ATOM 538 HN THR P 35 6.679 51.050 115.362 1.00 0.00 H ATOM 539 CA THR P 35 7.703 49.875 113.980 1.00 0.00 C ATOM 540 HA THR P 35 7.249 49.466 113.090 1.00 0.00 H ATOM 541 CB THR P 35 8.516 51.109 113.622 1.00 0.00 C ATOM 542 HB THR P 35 8.962 51.548 114.540 1.00 0.00 H ATOM 543 OG1 THR P 35 7.672 52.076 113.010 1.00 0.00 O ATOM 544 HG1 THR P 35 7.316 51.656 112.223 1.00 0.00 H ATOM 545 CG2 THR P 35 9.650 50.756 112.625 1.00 0.00 C ATOM 546 HG21 THR P 35 9.241 50.175 111.771 1.00 0.00 H ATOM 547 HG22 THR P 35 10.423 50.142 113.134 1.00 0.00 H ATOM 548 HG23 THR P 35 10.111 51.687 112.231 1.00 0.00 H ATOM 549 C THR P 35 8.625 48.820 114.540 1.00 0.00 C ATOM 550 O THR P 35 9.033 47.900 113.833 1.00 0.00 O ATOM 551 N ALA P 36 8.933 48.892 115.859 1.00 0.00 N ATOM 552 HN ALA P 36 8.611 49.641 116.432 1.00 0.00 H ATOM 553 CA ALA P 36 9.744 47.897 116.524 1.00 0.00 C ATOM 554 HA ALA P 36 10.667 47.807 115.972 1.00 0.00 H ATOM 555 CB ALA P 36 10.045 48.264 117.991 1.00 0.00 C ATOM 556 HB1 ALA P 36 9.097 48.361 118.563 1.00 0.00 H ATOM 557 HB2 ALA P 36 10.586 49.233 118.035 1.00 0.00 H ATOM 558 HB3 ALA P 36 10.663 47.469 118.461 1.00 0.00 H ATOM 559 C ALA P 36 9.055 46.555 116.516 1.00 0.00 C ATOM 560 O ALA P 36 9.707 45.535 116.331 1.00 0.00 O ATOM 561 N THR P 37 7.704 46.538 116.657 1.00 0.00 N ATOM 562 HN THR P 37 7.189 47.382 116.782 1.00 0.00 H ATOM 563 CA THR P 37 6.905 45.328 116.640 1.00 0.00 C ATOM 564 HA THR P 37 7.351 44.640 117.343 1.00 0.00 H ATOM 565 CB THR P 37 5.446 45.554 117.004 1.00 0.00 C ATOM 566 HB THR P 37 4.978 46.249 116.274 1.00 0.00 H ATOM 567 OG1 THR P 37 5.357 46.121 118.303 1.00 0.00 O ATOM 568 HG1 THR P 37 5.692 47.017 118.224 1.00 0.00 H ATOM 569 CG2 THR P 37 4.700 44.199 117.083 1.00 0.00 C ATOM 570 HG21 THR P 37 5.268 43.487 117.720 1.00 0.00 H ATOM 571 HG22 THR P 37 4.599 43.763 116.066 1.00 0.00 H ATOM 572 HG23 THR P 37 3.693 44.347 117.528 1.00 0.00 H ATOM 573 C THR P 37 6.968 44.690 115.278 1.00 0.00 C ATOM 574 O THR P 37 7.054 43.476 115.190 1.00 0.00 O ATOM 575 N ASP P 38 6.964 45.478 114.179 1.00 0.00 N ATOM 576 HN ASP P 38 6.928 46.471 114.253 1.00 0.00 H ATOM 577 CA ASP P 38 7.011 44.956 112.827 1.00 0.00 C ATOM 578 HA ASP P 38 6.285 44.160 112.752 1.00 0.00 H ATOM 579 CB ASP P 38 6.697 46.069 111.791 1.00 0.00 C ATOM 580 HB1 ASP P 38 6.941 45.702 110.771 1.00 0.00 H ATOM 581 HB2 ASP P 38 7.316 46.964 112.014 1.00 0.00 H ATOM 582 CG ASP P 38 5.215 46.467 111.834 1.00 0.00 C ATOM 583 OD1 ASP P 38 4.385 45.742 112.444 1.00 0.00 O ATOM 584 OD2 ASP P 38 4.888 47.522 111.234 1.00 0.00 O ATOM 585 C ASP P 38 8.354 44.329 112.512 1.00 0.00 C ATOM 586 O ASP P 38 8.410 43.263 111.900 1.00 0.00 O ATOM 587 N VAL P 39 9.472 44.946 112.965 1.00 0.00 N ATOM 588 HN VAL P 39 9.420 45.812 113.454 1.00 0.00 H ATOM 589 CA VAL P 39 10.814 44.419 112.786 1.00 0.00 C ATOM 590 HA VAL P 39 10.920 44.131 111.751 1.00 0.00 H ATOM 591 CB VAL P 39 11.875 45.447 113.154 1.00 0.00 C ATOM 592 HB VAL P 39 11.660 45.843 114.169 1.00 0.00 H ATOM 593 CG1 VAL P 39 13.295 44.830 113.141 1.00 0.00 C ATOM 594 HG11 VAL P 39 13.464 44.281 112.190 1.00 0.00 H ATOM 595 HG12 VAL P 39 13.406 44.118 113.987 1.00 0.00 H ATOM 596 HG13 VAL P 39 14.057 45.634 113.227 1.00 0.00 H ATOM 597 CG2 VAL P 39 11.781 46.623 112.154 1.00 0.00 C ATOM 598 HG21 VAL P 39 10.774 47.089 112.206 1.00 0.00 H ATOM 599 HG22 VAL P 39 11.948 46.254 111.120 1.00 0.00 H ATOM 600 HG23 VAL P 39 12.541 47.394 112.404 1.00 0.00 H ATOM 601 C VAL P 39 10.987 43.150 113.597 1.00 0.00 C ATOM 602 O VAL P 39 11.507 42.159 113.088 1.00 0.00 O ATOM 603 N PHE P 40 10.503 43.123 114.865 1.00 0.00 N ATOM 604 HN PHE P 40 10.106 43.933 115.290 1.00 0.00 H ATOM 605 CA PHE P 40 10.525 41.932 115.687 1.00 0.00 C ATOM 606 HA PHE P 40 11.527 41.536 115.625 1.00 0.00 H ATOM 607 CB PHE P 40 10.147 42.118 117.190 1.00 0.00 C ATOM 608 HB1 PHE P 40 9.790 41.152 117.607 1.00 0.00 H ATOM 609 HB2 PHE P 40 9.354 42.890 117.283 1.00 0.00 H ATOM 610 CG PHE P 40 11.322 42.568 118.020 1.00 0.00 C ATOM 611 CD1 PHE P 40 11.396 43.849 118.594 1.00 0.00 C ATOM 612 HD1 PHE P 40 10.619 44.570 118.387 1.00 0.00 H ATOM 613 CE1 PHE P 40 12.462 44.206 119.430 1.00 0.00 C ATOM 614 HE1 PHE P 40 12.491 45.186 119.882 1.00 0.00 H ATOM 615 CZ PHE P 40 13.490 43.288 119.678 1.00 0.00 C ATOM 616 HZ PHE P 40 14.317 43.563 120.316 1.00 0.00 H ATOM 617 CD2 PHE P 40 12.365 41.656 118.282 1.00 0.00 C ATOM 618 HD2 PHE P 40 12.330 40.668 117.846 1.00 0.00 H ATOM 619 CE2 PHE P 40 13.447 42.011 119.099 1.00 0.00 C ATOM 620 HE2 PHE P 40 14.244 41.305 119.282 1.00 0.00 H ATOM 621 C PHE P 40 9.667 40.836 115.136 1.00 0.00 C ATOM 622 O PHE P 40 10.081 39.692 115.192 1.00 0.00 O ATOM 623 N TRP P 41 8.479 41.120 114.558 1.00 0.00 N ATOM 624 HN TRP P 41 8.152 42.058 114.479 1.00 0.00 H ATOM 625 CA TRP P 41 7.596 40.109 114.015 1.00 0.00 C ATOM 626 HA TRP P 41 7.518 39.317 114.745 1.00 0.00 H ATOM 627 CB TRP P 41 6.191 40.670 113.694 1.00 0.00 C ATOM 628 HB1 TRP P 41 6.302 41.481 112.944 1.00 0.00 H ATOM 629 HB2 TRP P 41 5.762 41.092 114.627 1.00 0.00 H ATOM 630 CG TRP P 41 5.200 39.658 113.142 1.00 0.00 C ATOM 631 CD1 TRP P 41 4.675 39.580 111.884 1.00 0.00 C ATOM 632 HD1 TRP P 41 4.877 40.280 111.087 1.00 0.00 H ATOM 633 NE1 TRP P 41 3.852 38.483 111.776 1.00 0.00 N ATOM 634 HE1 TRP P 41 3.356 38.220 110.978 1.00 0.00 H ATOM 635 CE2 TRP P 41 3.846 37.818 112.984 1.00 0.00 C ATOM 636 CD2 TRP P 41 4.681 38.530 113.871 1.00 0.00 C ATOM 637 CE3 TRP P 41 4.885 38.090 115.180 1.00 0.00 C ATOM 638 HE3 TRP P 41 5.516 38.626 115.874 1.00 0.00 H ATOM 639 CZ3 TRP P 41 4.238 36.911 115.582 1.00 0.00 C ATOM 640 HZ3 TRP P 41 4.384 36.540 116.586 1.00 0.00 H ATOM 641 CZ2 TRP P 41 3.196 36.655 113.384 1.00 0.00 C ATOM 642 HZ2 TRP P 41 2.549 36.102 112.719 1.00 0.00 H ATOM 643 CH2 TRP P 41 3.403 36.205 114.699 1.00 0.00 C ATOM 644 HH2 TRP P 41 2.913 35.303 115.036 1.00 0.00 H ATOM 645 C TRP P 41 8.209 39.466 112.798 1.00 0.00 C ATOM 646 O TRP P 41 8.108 38.256 112.620 1.00 0.00 O ATOM 647 N ALA P 42 8.921 40.254 111.965 1.00 0.00 N ATOM 648 HN ALA P 42 8.954 41.242 112.088 1.00 0.00 H ATOM 649 CA ALA P 42 9.680 39.744 110.848 1.00 0.00 C ATOM 650 HA ALA P 42 9.028 39.114 110.261 1.00 0.00 H ATOM 651 CB ALA P 42 10.226 40.900 109.984 1.00 0.00 C ATOM 652 HB1 ALA P 42 10.889 41.551 110.593 1.00 0.00 H ATOM 653 HB2 ALA P 42 9.384 41.513 109.597 1.00 0.00 H ATOM 654 HB3 ALA P 42 10.813 40.492 109.134 1.00 0.00 H ATOM 655 C ALA P 42 10.833 38.887 111.320 1.00 0.00 C ATOM 656 O ALA P 42 11.161 37.876 110.710 1.00 0.00 O ATOM 657 N LYS P 43 11.457 39.261 112.456 1.00 0.00 N ATOM 658 HN LYS P 43 11.164 40.069 112.961 1.00 0.00 H ATOM 659 CA LYS P 43 12.571 38.553 113.032 1.00 0.00 C ATOM 660 HA LYS P 43 13.148 38.116 112.231 1.00 0.00 H ATOM 661 CB LYS P 43 13.426 39.531 113.843 1.00 0.00 C ATOM 662 HB1 LYS P 43 12.956 39.663 114.840 1.00 0.00 H ATOM 663 HB2 LYS P 43 13.434 40.508 113.316 1.00 0.00 H ATOM 664 CG LYS P 43 14.870 39.084 114.048 1.00 0.00 C ATOM 665 HG1 LYS P 43 15.329 38.861 113.062 1.00 0.00 H ATOM 666 HG2 LYS P 43 14.885 38.162 114.668 1.00 0.00 H ATOM 667 CD LYS P 43 15.676 40.174 114.745 1.00 0.00 C ATOM 668 HD1 LYS P 43 15.299 40.290 115.783 1.00 0.00 H ATOM 669 HD2 LYS P 43 15.530 41.131 114.201 1.00 0.00 H ATOM 670 CE LYS P 43 17.164 39.859 114.795 1.00 0.00 C ATOM 671 HE1 LYS P 43 17.575 39.793 113.765 1.00 0.00 H ATOM 672 HE2 LYS P 43 17.334 38.904 115.336 1.00 0.00 H ATOM 673 NZ LYS P 43 17.891 40.929 115.512 1.00 0.00 N ATOM 674 HZ1 LYS P 43 17.527 41.005 116.483 1.00 0.00 H ATOM 675 HZ2 LYS P 43 17.752 41.834 115.018 1.00 0.00 H ATOM 676 HZ3 LYS P 43 18.905 40.701 115.538 1.00 0.00 H ATOM 677 C LYS P 43 12.117 37.365 113.866 1.00 0.00 C ATOM 678 O LYS P 43 12.926 36.526 114.233 1.00 0.00 O ATOM 679 N TYR P 44 10.805 37.233 114.184 1.00 0.00 N ATOM 680 HN TYR P 44 10.165 37.990 114.082 1.00 0.00 H ATOM 681 CA TYR P 44 10.238 36.000 114.689 1.00 0.00 C ATOM 682 HA TYR P 44 10.989 35.553 115.322 1.00 0.00 H ATOM 683 CB TYR P 44 8.905 36.130 115.499 1.00 0.00 C ATOM 684 HB1 TYR P 44 8.429 35.131 115.596 1.00 0.00 H ATOM 685 HB2 TYR P 44 8.219 36.831 114.977 1.00 0.00 H ATOM 686 CG TYR P 44 9.131 36.665 116.894 1.00 0.00 C ATOM 687 CD1 TYR P 44 8.778 37.979 117.247 1.00 0.00 C ATOM 688 HD1 TYR P 44 8.248 38.593 116.534 1.00 0.00 H ATOM 689 CE1 TYR P 44 9.098 38.511 118.503 1.00 0.00 C ATOM 690 HE1 TYR P 44 8.839 39.532 118.741 1.00 0.00 H ATOM 691 CZ TYR P 44 9.753 37.717 119.446 1.00 0.00 C ATOM 692 OH TYR P 44 10.160 38.273 120.679 1.00 0.00 O ATOM 693 HH TYR P 44 10.588 37.582 121.189 1.00 0.00 H ATOM 694 CD2 TYR P 44 9.717 35.852 117.884 1.00 0.00 C ATOM 695 HD2 TYR P 44 9.948 34.821 117.661 1.00 0.00 H ATOM 696 CE2 TYR P 44 10.004 36.368 119.158 1.00 0.00 C ATOM 697 HE2 TYR P 44 10.419 35.724 119.919 1.00 0.00 H ATOM 698 C TYR P 44 9.977 35.094 113.515 1.00 0.00 C ATOM 699 O TYR P 44 10.403 33.947 113.531 1.00 0.00 O ATOM 700 N THR P 45 9.308 35.608 112.452 1.00 0.00 N ATOM 701 HN THR P 45 9.122 36.585 112.399 1.00 0.00 H ATOM 702 CA THR P 45 8.808 34.838 111.321 1.00 0.00 C ATOM 703 HA THR P 45 8.260 33.996 111.717 1.00 0.00 H ATOM 704 CB THR P 45 7.906 35.661 110.409 1.00 0.00 C ATOM 705 HB THR P 45 8.464 36.538 110.016 1.00 0.00 H ATOM 706 OG1 THR P 45 6.778 36.121 111.144 1.00 0.00 O ATOM 707 HG1 THR P 45 6.419 35.349 111.589 1.00 0.00 H ATOM 708 CG2 THR P 45 7.375 34.803 109.236 1.00 0.00 C ATOM 709 HG21 THR P 45 6.947 33.853 109.621 1.00 0.00 H ATOM 710 HG22 THR P 45 8.205 34.561 108.539 1.00 0.00 H ATOM 711 HG23 THR P 45 6.579 35.356 108.693 1.00 0.00 H ATOM 712 C THR P 45 9.935 34.235 110.513 1.00 0.00 C ATOM 713 O THR P 45 9.872 33.075 110.114 1.00 0.00 O ATOM 714 N ALA P 46 11.027 34.996 110.291 1.00 0.00 N ATOM 715 HN ALA P 46 11.070 35.940 110.609 1.00 0.00 H ATOM 716 CA ALA P 46 12.206 34.529 109.591 1.00 0.00 C ATOM 717 HA ALA P 46 11.878 34.032 108.690 1.00 0.00 H ATOM 718 CB ALA P 46 13.162 35.686 109.236 1.00 0.00 C ATOM 719 HB1 ALA P 46 13.497 36.202 110.161 1.00 0.00 H ATOM 720 HB2 ALA P 46 12.640 36.422 108.588 1.00 0.00 H ATOM 721 HB3 ALA P 46 14.055 35.290 108.708 1.00 0.00 H ATOM 722 C ALA P 46 12.985 33.531 110.411 1.00 0.00 C ATOM 723 O ALA P 46 13.699 32.692 109.866 1.00 0.00 O ATOM 724 N CYS P 47 12.851 33.598 111.754 1.00 0.00 N ATOM 725 HN CYS P 47 12.246 34.264 112.184 1.00 0.00 H ATOM 726 CA CYS P 47 13.557 32.730 112.657 1.00 0.00 C ATOM 727 HA CYS P 47 14.428 32.360 112.138 1.00 0.00 H ATOM 728 CB CYS P 47 13.984 33.447 113.951 1.00 0.00 C ATOM 729 HB1 CYS P 47 14.435 32.710 114.649 1.00 0.00 H ATOM 730 HB2 CYS P 47 13.089 33.887 114.441 1.00 0.00 H ATOM 731 SG CYS P 47 15.189 34.753 113.547 1.00 0.00 S ATOM 732 HG1 CYS P 47 14.279 35.699 113.369 1.00 0.00 H ATOM 733 C CYS P 47 12.739 31.513 112.973 1.00 0.00 C ATOM 734 O CYS P 47 13.200 30.694 113.753 1.00 0.00 O ATOM 735 N GLU P 48 11.546 31.317 112.336 1.00 0.00 N ATOM 736 HN GLU P 48 11.173 32.007 111.721 1.00 0.00 H ATOM 737 CA GLU P 48 10.727 30.120 112.487 1.00 0.00 C ATOM 738 HA GLU P 48 10.636 29.933 113.546 1.00 0.00 H ATOM 739 CB GLU P 48 9.316 30.215 111.862 1.00 0.00 C ATOM 740 HB1 GLU P 48 8.850 29.207 111.876 1.00 0.00 H ATOM 741 HB2 GLU P 48 9.413 30.552 110.808 1.00 0.00 H ATOM 742 CG GLU P 48 8.399 31.196 112.614 1.00 0.00 C ATOM 743 HG1 GLU P 48 8.882 32.196 112.646 1.00 0.00 H ATOM 744 HG2 GLU P 48 8.247 30.831 113.652 1.00 0.00 H ATOM 745 CD GLU P 48 7.033 31.332 111.936 1.00 0.00 C ATOM 746 OE1 GLU P 48 6.790 30.666 110.896 1.00 0.00 O ATOM 747 OE2 GLU P 48 6.193 32.100 112.470 1.00 0.00 O ATOM 748 C GLU P 48 11.382 28.878 111.929 1.00 0.00 C ATOM 749 O GLU P 48 10.953 27.764 112.228 1.00 0.00 O ATOM 750 N THR P 49 12.480 29.045 111.158 1.00 0.00 N ATOM 751 HN THR P 49 12.733 29.957 110.849 1.00 0.00 H ATOM 752 CA THR P 49 13.379 28.003 110.703 1.00 0.00 C ATOM 753 HA THR P 49 12.813 27.304 110.106 1.00 0.00 H ATOM 754 CB THR P 49 14.503 28.619 109.883 1.00 0.00 C ATOM 755 HB THR P 49 15.064 29.353 110.500 1.00 0.00 H ATOM 756 OG1 THR P 49 13.952 29.286 108.754 1.00 0.00 O ATOM 757 HG1 THR P 49 13.931 30.218 108.982 1.00 0.00 H ATOM 758 CG2 THR P 49 15.498 27.559 109.368 1.00 0.00 C ATOM 759 HG21 THR P 49 14.949 26.728 108.876 1.00 0.00 H ATOM 760 HG22 THR P 49 16.082 27.145 110.217 1.00 0.00 H ATOM 761 HG23 THR P 49 16.188 28.016 108.627 1.00 0.00 H ATOM 762 C THR P 49 13.948 27.238 111.890 1.00 0.00 C ATOM 763 O THR P 49 14.155 26.029 111.803 1.00 0.00 O ATOM 764 N ALA P 50 14.164 27.932 113.035 1.00 0.00 N ATOM 765 HN ALA P 50 14.126 28.927 113.039 1.00 0.00 H ATOM 766 CA ALA P 50 14.460 27.338 114.317 1.00 0.00 C ATOM 767 HA ALA P 50 14.689 26.295 114.154 1.00 0.00 H ATOM 768 CB ALA P 50 15.646 28.040 114.999 1.00 0.00 C ATOM 769 HB1 ALA P 50 15.413 29.114 115.160 1.00 0.00 H ATOM 770 HB2 ALA P 50 16.549 27.966 114.357 1.00 0.00 H ATOM 771 HB3 ALA P 50 15.848 27.569 115.985 1.00 0.00 H ATOM 772 C ALA P 50 13.255 27.499 115.221 1.00 0.00 C ATOM 773 O ALA P 50 12.651 28.565 115.273 1.00 0.00 O ATOM 774 N ARG P 51 12.857 26.448 115.970 1.00 0.00 N ATOM 775 HN ARG P 51 13.223 25.531 115.832 1.00 0.00 H ATOM 776 CA ARG P 51 11.868 26.590 117.026 1.00 0.00 C ATOM 777 HA ARG P 51 11.916 27.616 117.358 1.00 0.00 H ATOM 778 CB ARG P 51 10.399 26.252 116.635 1.00 0.00 C ATOM 779 HB1 ARG P 51 9.783 26.283 117.558 1.00 0.00 H ATOM 780 HB2 ARG P 51 10.382 25.221 116.224 1.00 0.00 H ATOM 781 CG ARG P 51 9.753 27.183 115.603 1.00 0.00 C ATOM 782 HG1 ARG P 51 10.306 27.102 114.643 1.00 0.00 H ATOM 783 HG2 ARG P 51 9.818 28.231 115.967 1.00 0.00 H ATOM 784 CD ARG P 51 8.280 26.822 115.368 1.00 0.00 C ATOM 785 HD1 ARG P 51 7.693 26.978 116.298 1.00 0.00 H ATOM 786 HD2 ARG P 51 8.192 25.766 115.033 1.00 0.00 H ATOM 787 NE ARG P 51 7.708 27.704 114.298 1.00 0.00 N ATOM 788 HE ARG P 51 8.277 28.430 113.911 1.00 0.00 H ATOM 789 CZ ARG P 51 6.436 27.545 113.838 1.00 0.00 C ATOM 790 NH1 ARG P 51 5.590 26.622 114.351 1.00 0.00 N ATOM 791 HH11 ARG P 51 5.892 26.026 115.095 1.00 0.00 H ATOM 792 HH12 ARG P 51 4.663 26.536 113.986 1.00 0.00 H ATOM 793 NH2 ARG P 51 5.990 28.327 112.831 1.00 0.00 N ATOM 794 HH21 ARG P 51 6.592 29.016 112.429 1.00 0.00 H ATOM 795 HH22 ARG P 51 5.057 28.216 112.488 1.00 0.00 H ATOM 796 C ARG P 51 12.242 25.682 118.158 1.00 0.00 C ATOM 797 O ARG P 51 11.377 25.218 118.898 1.00 0.00 O ATOM 798 N THR P 52 13.548 25.389 118.325 1.00 0.00 N ATOM 799 HN THR P 52 14.254 25.852 117.795 1.00 0.00 H ATOM 800 CA THR P 52 14.030 24.400 119.266 1.00 0.00 C ATOM 801 HA THR P 52 13.191 23.794 119.576 1.00 0.00 H ATOM 802 CB THR P 52 15.100 23.533 118.619 1.00 0.00 C ATOM 803 HB THR P 52 15.519 22.839 119.379 1.00 0.00 H ATOM 804 OG1 THR P 52 16.165 24.309 118.085 1.00 0.00 O ATOM 805 HG1 THR P 52 16.783 23.682 117.703 1.00 0.00 H ATOM 806 CG2 THR P 52 14.456 22.729 117.468 1.00 0.00 C ATOM 807 HG21 THR P 52 14.192 23.408 116.629 1.00 0.00 H ATOM 808 HG22 THR P 52 13.530 22.231 117.826 1.00 0.00 H ATOM 809 HG23 THR P 52 15.171 21.965 117.094 1.00 0.00 H ATOM 810 C THR P 52 14.223 25.035 120.649 1.00 0.00 C ATOM 811 O THR P 52 13.227 25.628 121.070 1.00 0.00 O ATOM 812 NT THR P 52 15.442 24.869 121.228 1.00 0.00 N ATOM 813 HT1 THR P 52 15.625 25.262 122.129 1.00 0.00 H ATOM 814 HT2 THR P 52 16.156 24.355 120.752 1.00 0.00 H TER 815 THR P 52 HETATM 816 CAL CAL H 602 -2.489 40.050 126.184 1.00 0.00 C HETATM 817 CAL CAL H 603 1.225 40.068 127.030 1.00 0.00 C HETATM 818 CAL CAL H 604 0.990 35.902 127.703 1.00 0.00 C HETATM 819 CAL CAL H 605 2.355 32.778 128.964 1.00 0.00 C HETATM 820 CAL CAL H 606 5.191 29.791 130.264 1.00 0.00 C HETATM 821 CAL CAL H 201 -3.688 43.812 124.111 1.00 0.00 C HETATM 822 CAL CAL H 207 14.450 32.310 129.421 1.00 0.00 C ENDMDL CONECT 78 63 79 80 CONECT 80 81 82 78 CONECT 81 80 CONECT 82 80 83 84 95 CONECT 83 82 CONECT 84 82 85 86 87 CONECT 85 84 CONECT 86 84 CONECT 87 84 88 89 92 CONECT 88 87 CONECT 89 87 90 91 CONECT 90 89 CONECT 91 89 CONECT 92 87 93 94 CONECT 93 92 CONECT 94 92 CONECT 95 82 96 97 CONECT 96 95 CONECT 97 98 99 95 CONECT 98 97 CONECT 99 97 100 101 112 CONECT 100 99 CONECT 101 99 102 103 104 CONECT 102 101 CONECT 103 101 CONECT 104 101 105 106 109 CONECT 105 104 CONECT 106 104 107 108 CONECT 107 106 CONECT 108 106 CONECT 109 104 110 111 CONECT 110 109 CONECT 111 109 CONECT 112 99 113 114 CONECT 113 112 CONECT 114 116 115 112 CONECT 214 199 215 216 CONECT 216 217 218 214 CONECT 217 216 CONECT 218 216 219 220 231 CONECT 219 218 CONECT 220 218 221 222 223 CONECT 221 220 CONECT 222 220 CONECT 223 220 224 225 228 CONECT 224 223 CONECT 225 223 226 227 CONECT 226 225 CONECT 227 225 CONECT 228 223 229 230 CONECT 229 228 CONECT 230 228 CONECT 231 218 232 233 CONECT 232 231 CONECT 233 235 234 231 CONECT 255 235 256 257 CONECT 257 258 259 255 CONECT 258 257 CONECT 259 257 260 261 272 CONECT 260 259 CONECT 261 259 262 263 264 CONECT 262 261 CONECT 263 261 CONECT 264 261 265 266 269 CONECT 265 264 CONECT 266 264 267 268 CONECT 267 266 CONECT 268 266 CONECT 269 264 270 271 CONECT 270 269 CONECT 271 269 CONECT 272 259 273 274 CONECT 273 272 CONECT 274 276 275 272 CONECT 298 286 299 300 CONECT 300 301 302 298 CONECT 301 300 CONECT 302 300 303 304 315 CONECT 303 302 CONECT 304 302 305 306 307 CONECT 305 304 CONECT 306 304 CONECT 307 304 308 309 312 CONECT 308 307 CONECT 309 307 310 311 CONECT 310 309 CONECT 311 309 CONECT 312 307 313 314 CONECT 313 312 CONECT 314 312 CONECT 315 302 316 317 CONECT 316 315 CONECT 317 318 319 315 CONECT 318 317 CONECT 319 317 320 321 332 CONECT 320 319 CONECT 321 319 322 323 324 CONECT 322 321 CONECT 323 321 CONECT 324 321 325 326 329 CONECT 325 324 CONECT 326 324 327 328 CONECT 327 326 CONECT 328 326 CONECT 329 324 330 331 CONECT 330 329 CONECT 331 329 CONECT 332 319 333 334 CONECT 333 332 CONECT 334 336 335 332 CONECT 388 371 389 390 CONECT 390 391 392 388 CONECT 391 390 CONECT 392 390 393 394 405 CONECT 393 392 CONECT 394 392 395 396 397 CONECT 395 394 CONECT 396 394 CONECT 397 394 398 399 402 CONECT 398 397 CONECT 399 397 400 401 CONECT 400 399 CONECT 401 399 CONECT 402 397 403 404 CONECT 403 402 CONECT 404 402 CONECT 405 392 406 407 CONECT 406 405 CONECT 407 408 409 405 CONECT 408 407 CONECT 409 407 410 411 422 CONECT 410 409 CONECT 411 409 412 413 414 CONECT 412 411 CONECT 413 411 CONECT 414 411 415 416 419 CONECT 415 414 CONECT 416 414 417 418 CONECT 417 416 CONECT 418 416 CONECT 419 414 420 421 CONECT 420 419 CONECT 421 419 CONECT 422 409 423 424 CONECT 423 422 CONECT 424 426 425 422 CONECT 452 436 453 454 CONECT 454 455 456 452 CONECT 455 454 CONECT 456 454 457 458 469 CONECT 457 456 CONECT 458 456 459 460 461 CONECT 459 458 CONECT 460 458 CONECT 461 458 462 463 466 CONECT 462 461 CONECT 463 461 464 465 CONECT 464 463 CONECT 465 463 CONECT 466 461 467 468 CONECT 467 466 CONECT 468 466 CONECT 469 456 470 471 CONECT 470 469 CONECT 471 473 472 469 CONECT 798 800 799 796 CONECT 799 798 CONECT 800 798 801 802 810 CONECT 801 800 CONECT 802 800 803 806 804 CONECT 803 802 CONECT 804 802 805 CONECT 805 804 CONECT 806 802 807 808 809 CONECT 807 806 CONECT 808 806 CONECT 809 806 CONECT 810 800 811 812 CONECT 811 810 CONECT 812 810 813 814 CONECT 813 812 CONECT 814 812 MODEL 2 HETATM 1 OT2 LPS A 451 4.204 32.577 130.930 0.67 57.18 O HETATM 2 C LPS A 451 4.504 31.572 131.622 0.67 66.94 C HETATM 3 OT1 LPS A 451 5.676 31.287 131.997 0.67 65.84 O HETATM 4 C12 LPS A 451 3.297 30.690 132.010 0.67 72.18 C HETATM 5 N LPS A 451 3.727 29.387 132.606 0.67 67.26 N HETATM 6 C11 LPS A 451 2.219 31.384 132.905 0.67 69.75 C HETATM 7 O12 LPS A 451 2.072 32.826 132.722 0.67 75.55 O HETATM 8 P LPS A 451 2.650 34.071 133.621 0.67 52.53 P HETATM 9 O13 LPS A 451 3.781 33.604 134.462 0.67 75.70 O HETATM 10 O14 LPS A 451 2.897 35.229 132.745 0.67 69.69 O HETATM 11 O11 LPS A 451 1.380 34.424 134.544 0.67 65.36 O HETATM 12 C1 LPS A 451 0.893 33.903 135.781 0.67 54.63 C HETATM 13 C2 LPS A 451 -0.566 34.345 135.983 0.67 58.48 C HETATM 14 O21 LPS A 451 -0.628 35.600 136.651 0.67 74.58 O HETATM 15 C3 LPS A 451 -1.445 33.338 136.723 0.67 65.58 C HETATM 16 O31 LPS A 451 -1.890 32.339 135.803 0.67 82.45 O HETATM 17 C31 LPS A 451 -3.120 31.840 135.987 0.67 93.26 C HETATM 18 O32 LPS A 451 -4.118 32.504 136.204 0.67 92.13 O HETATM 19 C32 LPS A 451 -3.071 30.274 135.816 0.67 89.19 C HETATM 20 C LPS A 451 -0.110 35.429 137.897 1.00 0.00 C HETATM 21 C LPS A 451 0.308 34.100 138.212 1.00 0.00 C HETATM 22 O LPS A 451 -0.007 36.352 138.694 1.00 0.00 O HETATM 23 H12 LPS A 451 2.796 30.500 131.061 1.00 72.18 H HETATM 24 H1 LPS A 451 4.192 29.557 133.486 1.00 67.26 H HETATM 25 H2 LPS A 451 4.362 28.921 131.974 1.00 67.26 H HETATM 26 H3 LPS A 451 2.917 28.804 132.760 1.00 67.26 H HETATM 27 H111 LPS A 451 2.484 31.205 133.947 1.00 69.75 H HETATM 28 H112 LPS A 451 1.257 30.920 132.690 1.00 69.75 H HETATM 29 H11 LPS A 451 0.944 32.814 135.762 1.00 54.63 H HETATM 30 H12 LPS A 451 1.504 34.281 136.601 1.00 54.63 H HETATM 31 H2 LPS A 451 -0.971 34.424 134.974 1.00 58.48 H HETATM 32 H31 LPS A 451 -2.307 33.851 137.150 1.00 65.58 H HETATM 33 H32 LPS A 451 -0.870 32.869 137.521 1.00 65.58 H HETATM 34 H321 LPS A 451 -4.082 29.959 135.557 1.00 89.19 H HETATM 35 H322 LPS A 451 -2.403 30.075 134.978 1.00 89.19 H HETATM 36 H323 LPS A 451 -2.727 29.754 136.710 1.00 89.19 H HETATM 37 H1 LPS A 451 0.122 33.449 137.358 1.00 0.00 H HETATM 38 H2 LPS A 451 -0.253 33.738 139.074 1.00 0.00 H HETATM 39 H3 LPS A 451 1.373 34.100 138.445 1.00 0.00 H ENDMDL CONECT 1 2 CONECT 2 1 3 4 CONECT 3 2 CONECT 4 2 5 6 23 CONECT 5 4 24 25 26 CONECT 6 4 7 27 28 CONECT 7 6 8 CONECT 8 7 9 10 11 CONECT 9 8 CONECT 10 8 CONECT 11 8 12 CONECT 12 11 13 29 30 CONECT 13 12 14 15 31 CONECT 14 13 20 CONECT 15 13 16 32 33 CONECT 16 15 17 CONECT 17 16 18 19 CONECT 18 17 CONECT 19 17 34 35 36 CONECT 20 14 21 22 CONECT 21 20 37 38 39 CONECT 22 20 CONECT 23 4 CONECT 24 5 CONECT 25 5 CONECT 26 5 CONECT 27 6 CONECT 28 6 CONECT 29 12 CONECT 30 12 CONECT 31 13 CONECT 32 15 CONECT 33 15 CONECT 34 19 CONECT 35 19 CONECT 36 19 CONECT 37 21 CONECT 38 21 CONECT 39 21 CONECT 40 59 60 41 42 CONECT 41 40 61 62 63 CONECT 42 40 64 65 43 CONECT 43 42 44 CONECT 44 43 45 46 47 CONECT 45 44 CONECT 46 44 CONECT 47 44 48 CONECT 48 47 66 67 49 CONECT 49 48 68 50 51 CONECT 50 49 56 CONECT 51 49 69 70 52 CONECT 52 51 53 CONECT 53 52 54 55 CONECT 54 53 CONECT 55 53 71 72 73 CONECT 56 50 57 58 CONECT 57 56 74 75 76 CONECT 58 56 CONECT 59 40 CONECT 60 40 CONECT 61 41 CONECT 62 41 CONECT 63 41 CONECT 64 42 CONECT 65 42 CONECT 66 48 CONECT 67 48 CONECT 68 49 CONECT 69 51 CONECT 70 51 CONECT 71 55 CONECT 72 55 CONECT 73 55 CONECT 74 57 CONECT 75 57 CONECT 76 57 MODEL 3 ENDMDL END If you find results from this site helpful for your research, please cite one of our papers:
elNémo
is maintained by Yves-Henri Sanejouand. |