| 1 |
gezelter |
1240 |
COMPND Title |
| 2 |
|
|
REMARK 1 PDB: 181 182 183 184 185 186 |
| 3 |
|
|
REMARK 1 MMOD: 181 182 183 184 185 186 / |
| 4 |
|
|
ATOM 1 N THR 113 25.207 34.137 34.727 1.00 4.20 0 |
| 5 |
|
|
ATOM 2 CA THR 113 25.765 35.032 35.725 1.00 2.22 0 |
| 6 |
|
|
ATOM 3 C THR 113 25.829 34.469 37.152 1.00 2.18 0 |
| 7 |
|
|
ATOM 4 O THR 113 26.835 34.678 37.854 1.00 4.41 0 |
| 8 |
|
|
ATOM 5 CB THR 113 24.884 36.309 35.786 1.00 10.08 0 |
| 9 |
|
|
ATOM 6 OG1 THR 113 24.615 36.634 34.430 1.00 18.90 0 |
| 10 |
|
|
ATOM 7 CG2 THR 113 25.677 37.496 36.322 1.00 23.08 0 |
| 11 |
|
|
ATOM 8 N PHE 114 24.720 33.820 37.546 1.00 5.22 0 |
| 12 |
|
|
ATOM 9 CA PHE 114 24.674 33.277 38.918 1.00 5.94 0 |
| 13 |
|
|
ATOM 10 C PHE 114 23.903 31.966 39.038 1.00 2.83 0 |
| 14 |
|
|
ATOM 11 O PHE 114 23.190 31.519 38.102 1.00 8.61 0 |
| 15 |
|
|
ATOM 12 CB PHE 114 23.841 34.281 39.804 1.00 7.38 0 |
| 16 |
|
|
ATOM 13 CG PHE 114 22.322 34.182 39.589 1.00 4.77 0 |
| 17 |
|
|
ATOM 14 CD1 PHE 114 21.683 34.802 38.505 1.00 5.54 0 |
| 18 |
|
|
ATOM 15 CD2 PHE 114 21.528 33.460 40.487 1.00 10.07 0 |
| 19 |
|
|
ATOM 16 CE1 PHE 114 20.300 34.688 38.335 1.00 5.58 0 |
| 20 |
|
|
ATOM 17 CE2 PHE 114 20.146 33.341 40.324 1.00 7.54 0 |
| 21 |
|
|
ATOM 18 CZ PHE 114 19.525 33.960 39.246 1.00 8.72 0 |
| 22 |
|
|
ATOM 19 N ALA 115 24.066 31.346 40.227 1.00 4.18 0 |
| 23 |
|
|
ATOM 20 CA ALA 115 23.373 30.130 40.592 1.00 3.01 0 |
| 24 |
|
|
ATOM 21 C ALA 115 23.294 30.087 42.118 1.00 2.63 0 |
| 25 |
|
|
ATOM 22 O ALA 115 24.185 30.534 42.844 1.00 4.75 0 |
| 26 |
|
|
ATOM 23 CB ALA 115 24.013 28.821 40.138 1.00 1.80 0 |
| 27 |
|
|
ATOM 24 N VAL 116 22.201 29.508 42.582 1.00 1.63 0 |
| 28 |
|
|
ATOM 25 CA VAL 116 21.908 29.298 43.988 1.00 3.68 0 |
| 29 |
|
|
ATOM 26 C VAL 116 21.640 27.807 44.137 1.00 1.18 0 |
| 30 |
|
|
ATOM 27 O VAL 116 20.743 27.247 43.479 1.00 3.54 0 |
| 31 |
|
|
ATOM 28 CB VAL 116 20.737 30.114 44.512 1.00 5.62 0 |
| 32 |
|
|
ATOM 29 CG1 VAL 116 20.560 29.827 46.007 1.00 5.30 0 |
| 33 |
|
|
ATOM 30 CG2 VAL 116 20.996 31.610 44.327 1.00 9.29 0 |
| 34 |
|
|
ATOM 31 N GLN 117 22.480 27.177 44.980 1.00 1.54 0 |
| 35 |
|
|
ATOM 32 CA GLN 117 22.392 25.753 45.261 1.00 2.36 0 |
| 36 |
|
|
ATOM 33 C GLN 117 21.953 25.576 46.721 1.00 5.39 0 |
| 37 |
|
|
ATOM 34 O GLN 117 22.102 26.451 47.577 1.00 2.73 0 |
| 38 |
|
|
ATOM 35 CB GLN 117 23.800 25.133 44.992 1.00 4.43 0 |
| 39 |
|
|
ATOM 36 CG GLN 117 23.865 23.674 45.456 1.00 8.58 0 |
| 40 |
|
|
ATOM 37 CD GLN 117 24.320 23.526 46.891 1.00 5.89 0 |
| 41 |
|
|
ATOM 38 OE1 GLN 117 24.720 24.516 47.524 1.00 3.93 0 |
| 42 |
|
|
ATOM 39 NE2 GLN 117 24.302 22.291 47.410 1.00 7.94 0 |
| 43 |
|
|
ATOM 40 N TYR 118 21.370 24.433 47.066 1.00 3.49 0 |
| 44 |
|
|
ATOM 41 CA TYR 118 20.946 24.186 48.437 1.00 1.00 0 |
| 45 |
|
|
ATOM 42 C TYR 118 20.941 22.672 48.703 1.00 4.40 0 |
| 46 |
|
|
ATOM 43 O TYR 118 20.729 21.847 47.796 1.00 5.59 0 |
| 47 |
|
|
ATOM 44 CB TYR 118 19.494 24.680 48.582 1.00 3.33 0 |
| 48 |
|
|
ATOM 45 CG TYR 118 18.825 24.320 49.890 1.00 2.74 0 |
| 49 |
|
|
ATOM 46 CD1 TYR 118 19.032 25.108 51.006 1.00 5.19 0 |
| 50 |
|
|
ATOM 47 CD2 TYR 118 18.030 23.189 50.004 1.00 2.86 0 |
| 51 |
|
|
ATOM 48 CE1 TYR 118 18.431 24.840 52.228 1.00 6.22 0 |
| 52 |
|
|
ATOM 49 CE2 TYR 118 17.419 22.882 51.231 1.00 2.25 0 |
| 53 |
|
|
ATOM 50 CZ TYR 118 17.611 23.711 52.347 1.00 1.07 0 |
| 54 |
|
|
ATOM 51 OH TYR 118 17.028 23.438 53.544 1.00 3.96 0 |
| 55 |
|
|
ATOM 52 N SER 119 21.224 22.261 49.943 1.00 3.53 0 |
| 56 |
|
|
ATOM 53 CA SER 119 21.186 20.874 50.330 1.00 1.86 0 |
| 57 |
|
|
ATOM 54 C SER 119 20.711 20.841 51.777 1.00 9.12 0 |
| 58 |
|
|
ATOM 55 O SER 119 21.184 21.592 52.608 1.00 4.26 0 |
| 59 |
|
|
ATOM 56 CB SER 119 22.472 20.067 50.321 1.00 4.76 0 |
| 60 |
|
|
ATOM 57 OG SER 119 23.126 20.318 49.106 1.00 36.42 0 |
| 61 |
|
|
ATOM 58 N CYS 120 19.805 19.961 52.132 1.00 4.99 0 |
| 62 |
|
|
ATOM 59 CA CYS 120 19.333 19.789 53.490 1.00 3.35 0 |
| 63 |
|
|
ATOM 60 C CYS 120 19.861 18.384 53.811 1.00 4.49 0 |
| 64 |
|
|
ATOM 61 O CYS 120 19.469 17.419 53.107 1.00 4.53 0 |
| 65 |
|
|
ATOM 62 CB CYS 120 17.806 19.810 53.655 1.00 2.49 0 |
| 66 |
|
|
ATOM 63 SG CYS 120 17.438 19.446 55.381 1.00 5.39 0 |
| 67 |
|
|
ATOM 64 N ARG 121 20.746 18.292 54.818 1.00 3.36 0 |
| 68 |
|
|
ATOM 65 CA ARG 121 21.336 17.036 55.213 1.00 1.91 0 |
| 69 |
|
|
ATOM 66 C ARG 121 20.509 16.310 56.248 1.00 8.68 0 |
| 70 |
|
|
ATOM 67 O ARG 121 20.619 15.102 56.411 1.00 14.10 0 |
| 71 |
|
|
ATOM 68 CB ARG 121 22.771 17.197 55.741 1.00 2.20 0 |
| 72 |
|
|
ATOM 69 CG ARG 121 23.703 17.871 54.732 1.00 10.98 0 |
| 73 |
|
|
ATOM 70 CD ARG 121 25.003 17.193 54.331 1.00 25.79 0 |
| 74 |
|
|
ATOM 71 NE ARG 121 26.079 17.729 55.098 1.00 19.30 0 |
| 75 |
|
|
ATOM 72 CZ ARG 121 27.365 17.825 54.789 1.00 11.87 0 |
| 76 |
|
|
ATOM 73 NH1 ARG 121 28.021 17.488 53.673 1.00 14.56 0 |
| 77 |
|
|
ATOM 74 NH2 ARG 121 28.091 18.350 55.729 1.00 4.11 0 |
| 78 |
|
|
ATOM 75 N LEU 122 19.690 17.040 56.976 1.00 6.87 0 |
| 79 |
|
|
ATOM 76 CA LEU 122 18.912 16.432 58.029 1.00 3.29 0 |
| 80 |
|
|
ATOM 77 C LEU 122 17.640 17.204 58.228 1.00 1.00 0 |
| 81 |
|
|
ATOM 78 O LEU 122 17.622 18.407 58.439 1.00 5.99 0 |
| 82 |
|
|
ATOM 79 CB LEU 122 19.715 16.406 59.363 1.00 12.34 0 |
| 83 |
|
|
ATOM 80 CG LEU 122 18.975 15.763 60.558 1.00 16.60 0 |
| 84 |
|
|
ATOM 81 CD1 LEU 122 18.922 14.231 60.427 1.00 17.46 0 |
| 85 |
|
|
ATOM 82 CD2 LEU 122 19.693 16.109 61.866 1.00 11.70 0 |
| 86 |
|
|
ATOM 83 N LEU 123 16.558 16.454 58.114 1.00 6.92 0 |
| 87 |
|
|
ATOM 84 CA LEU 123 15.225 17.013 58.268 1.00 7.87 0 |
| 88 |
|
|
ATOM 85 C LEU 123 14.754 17.012 59.713 1.00 11.10 0 |
| 89 |
|
|
ATOM 86 O LEU 123 14.965 16.080 60.459 1.00 9.97 0 |
| 90 |
|
|
ATOM 87 CB LEU 123 14.236 16.082 57.496 1.00 8.06 0 |
| 91 |
|
|
ATOM 88 CG LEU 123 13.473 16.617 56.300 1.00 24.79 0 |
| 92 |
|
|
ATOM 89 CD1 LEU 123 14.393 17.439 55.439 1.00 22.02 0 |
| 93 |
|
|
ATOM 90 CD2 LEU 123 12.958 15.427 55.520 1.00 18.59 0 |
| 94 |
|
|
ATOM 91 N ASN 124 14.085 18.066 60.124 1.00 8.77 0 |
| 95 |
|
|
ATOM 92 CA ASN 124 13.538 18.116 61.456 1.00 6.69 0 |
| 96 |
|
|
ATOM 93 C ASN 124 12.222 17.339 61.405 1.00 13.04 0 |
| 97 |
|
|
ATOM 94 O ASN 124 11.704 17.067 60.319 1.00 4.70 0 |
| 98 |
|
|
ATOM 95 CB ASN 124 13.123 19.545 61.826 1.00 8.77 0 |
| 99 |
|
|
ATOM 96 CG ASN 124 14.196 20.365 62.502 1.00 18.71 0 |
| 100 |
|
|
ATOM 97 OD1 ASN 124 14.794 19.924 63.484 1.00 13.76 0 |
| 101 |
|
|
ATOM 98 ND2 ASN 124 14.401 21.589 62.022 1.00 16.81 0 |
| 102 |
|
|
ATOM 99 N LEU 125 11.646 16.994 62.562 1.00 10.39 0 |
| 103 |
|
|
ATOM 100 CA LEU 125 10.387 16.267 62.541 1.00 22.30 0 |
| 104 |
|
|
ATOM 101 C LEU 125 9.269 17.055 61.852 1.00 13.87 0 |
| 105 |
|
|
ATOM 102 O LEU 125 8.288 16.470 61.372 1.00 14.73 0 |
| 106 |
|
|
ATOM 103 CB LEU 125 9.906 15.873 63.952 1.00 16.62 0 |
| 107 |
|
|
ATOM 104 CG LEU 125 10.565 14.674 64.586 1.00 26.10 0 |
| 108 |
|
|
ATOM 105 CD1 LEU 125 11.248 13.789 63.561 1.00 30.21 0 |
| 109 |
|
|
ATOM 106 CD2 LEU 125 11.496 15.168 65.669 1.00 32.19 0 |
| 110 |
|
|
ATOM 107 N ASP 126 9.399 18.387 61.808 1.00 14.62 0 |
| 111 |
|
|
ATOM 108 CA ASP 126 8.343 19.156 61.181 1.00 14.23 0 |
| 112 |
|
|
ATOM 109 C ASP 126 8.472 19.366 59.694 1.00 17.58 0 |
| 113 |
|
|
ATOM 110 O ASP 126 7.604 19.968 59.071 1.00 15.75 0 |
| 114 |
|
|
ATOM 111 CB ASP 126 8.115 20.492 61.877 1.00 8.85 0 |
| 115 |
|
|
ATOM 112 CG ASP 126 9.351 21.295 61.880 1.00 14.29 0 |
| 116 |
|
|
ATOM 113 OD1 ASP 126 10.327 20.937 61.274 1.00 13.88 0 |
| 117 |
|
|
ATOM 114 OD2 ASP 126 9.252 22.356 62.634 1.00 18.47 0 |
| 118 |
|
|
ATOM 115 N GLY 127 9.551 18.883 59.111 1.00 10.63 0 |
| 119 |
|
|
ATOM 116 CA GLY 127 9.656 19.075 57.678 1.00 10.13 0 |
| 120 |
|
|
ATOM 117 C GLY 127 10.611 20.191 57.298 1.00 12.69 0 |
| 121 |
|
|
ATOM 118 O GLY 127 10.947 20.384 56.124 1.00 13.92 0 |
| 122 |
|
|
ATOM 119 N THR 128 11.053 20.938 58.311 1.00 9.06 0 |
| 123 |
|
|
ATOM 120 CA THR 128 11.997 22.037 58.101 1.00 1.76 0 |
| 124 |
|
|
ATOM 121 C THR 128 13.379 21.394 58.110 1.00 6.86 0 |
| 125 |
|
|
ATOM 122 O THR 128 13.507 20.220 58.464 1.00 9.46 0 |
| 126 |
|
|
ATOM 123 CB THR 128 11.942 23.102 59.211 1.00 9.47 0 |
| 127 |
|
|
ATOM 124 OG1 THR 128 12.227 22.497 60.459 1.00 10.73 0 |
| 128 |
|
|
ATOM 125 CG2 THR 128 10.586 23.817 59.238 1.00 3.95 0 |
| 129 |
|
|
ATOM 126 N CYS 129 14.426 22.129 57.730 1.00 2.50 0 |
| 130 |
|
|
ATOM 127 CA CYS 129 15.763 21.564 57.686 1.00 1.36 0 |
| 131 |
|
|
ATOM 128 C CYS 129 16.515 21.792 58.975 1.00 7.23 0 |
| 132 |
|
|
ATOM 129 O CYS 129 16.582 22.938 59.436 1.00 8.64 0 |
| 133 |
|
|
ATOM 130 CB CYS 129 16.556 22.171 56.513 1.00 3.76 0 |
| 134 |
|
|
ATOM 131 SG CYS 129 18.060 21.194 56.238 1.00 6.44 0 |
| 135 |
|
|
ATOM 132 N ALA 130 17.071 20.704 59.531 1.00 10.23 0 |
| 136 |
|
|
ATOM 133 CA ALA 130 17.828 20.881 60.779 1.00 8.10 0 |
| 137 |
|
|
ATOM 134 C ALA 130 19.322 21.142 60.491 1.00 14.07 0 |
| 138 |
|
|
ATOM 135 O ALA 130 20.076 21.646 61.317 1.00 9.12 0 |
| 139 |
|
|
ATOM 136 CB ALA 130 17.702 19.600 61.605 1.00 7.15 0 |
| 140 |
|
|
ATOM 137 N ASP 131 19.844 20.773 59.310 1.00 8.92 0 |
| 141 |
|
|
ATOM 138 CA ASP 131 21.275 20.961 58.965 1.00 2.70 0 |
| 142 |
|
|
ATOM 139 C ASP 131 21.345 21.179 57.452 1.00 5.54 0 |
| 143 |
|
|
ATOM 140 O ASP 131 21.046 20.285 56.648 1.00 5.72 0 |
| 144 |
|
|
ATOM 141 CB ASP 131 22.089 19.729 59.375 1.00 6.75 0 |
| 145 |
|
|
ATOM 142 CG ASP 131 23.546 19.800 59.072 1.00 8.86 0 |
| 146 |
|
|
ATOM 143 OD1 ASP 131 24.024 21.006 59.139 1.00 6.56 0 |
| 147 |
|
|
ATOM 144 OD2 ASP 131 24.232 18.834 58.872 1.00 9.16 0 |
| 148 |
|
|
ATOM 145 N SER 132 21.692 22.404 57.067 1.00 3.56 0 |
| 149 |
|
|
ATOM 146 CA SER 132 21.727 22.650 55.639 1.00 1.58 0 |
| 150 |
|
|
ATOM 147 C SER 132 22.959 23.411 55.259 1.00 4.52 0 |
| 151 |
|
|
ATOM 148 O SER 132 23.680 23.957 56.110 1.00 3.96 0 |
| 152 |
|
|
ATOM 149 CB SER 132 20.546 23.594 55.287 1.00 7.31 0 |
| 153 |
|
|
ATOM 150 OG SER 132 20.641 24.843 55.969 1.00 4.88 0 |
| 154 |
|
|
ATOM 151 N TYR 133 23.149 23.430 53.943 1.00 3.67 0 |
| 155 |
|
|
ATOM 152 CA TYR 133 24.224 24.179 53.347 1.00 1.00 0 |
| 156 |
|
|
ATOM 153 C TYR 133 23.727 24.792 52.036 1.00 2.64 0 |
| 157 |
|
|
ATOM 154 O TYR 133 22.767 24.255 51.448 1.00 2.99 0 |
| 158 |
|
|
ATOM 155 CB TYR 133 25.631 23.597 53.316 1.00 1.00 0 |
| 159 |
|
|
ATOM 156 CG TYR 133 25.796 22.443 52.380 1.00 3.28 0 |
| 160 |
|
|
ATOM 157 CD1 TYR 133 25.586 21.153 52.841 1.00 3.10 0 |
| 161 |
|
|
ATOM 158 CD2 TYR 133 26.204 22.658 51.063 1.00 6.15 0 |
| 162 |
|
|
ATOM 159 CE1 TYR 133 25.773 20.068 51.979 1.00 3.79 0 |
| 163 |
|
|
ATOM 160 CE2 TYR 133 26.351 21.581 50.205 1.00 4.65 0 |
| 164 |
|
|
ATOM 161 CZ TYR 133 26.141 20.263 50.647 1.00 4.87 0 |
| 165 |
|
|
ATOM 162 OH TYR 133 26.336 19.146 49.848 1.00 4.50 0 |
| 166 |
|
|
ATOM 163 N SER 134 24.320 25.915 51.634 1.00 3.63 0 |
| 167 |
|
|
ATOM 164 CA SER 134 23.922 26.584 50.407 1.00 2.27 0 |
| 168 |
|
|
ATOM 165 C SER 134 25.053 27.383 49.807 1.00 5.30 0 |
| 169 |
|
|
ATOM 166 O SER 134 25.770 28.050 50.540 1.00 3.59 0 |
| 170 |
|
|
ATOM 167 CB SER 134 22.776 27.529 50.710 1.00 4.66 0 |
| 171 |
|
|
ATOM 168 OG SER 134 22.363 28.217 49.538 1.00 6.35 0 |
| 172 |
|
|
ATOM 169 N PHE 135 25.241 27.310 48.504 1.00 1.03 0 |
| 173 |
|
|
ATOM 170 CA PHE 135 26.276 28.095 47.877 1.00 3.16 0 |
| 174 |
|
|
ATOM 171 C PHE 135 25.650 29.033 46.850 1.00 5.78 0 |
| 175 |
|
|
ATOM 172 O PHE 135 24.662 28.686 46.170 1.00 4.64 0 |
| 176 |
|
|
ATOM 173 CB PHE 135 27.176 27.228 46.988 1.00 3.57 0 |
| 177 |
|
|
ATOM 174 CG PHE 135 28.233 26.469 47.753 1.00 6.18 0 |
| 178 |
|
|
ATOM 175 CD1 PHE 135 27.958 25.236 48.343 1.00 9.79 0 |
| 179 |
|
|
ATOM 176 CD2 PHE 135 29.526 26.977 47.878 1.00 13.66 0 |
| 180 |
|
|
ATOM 177 CE1 PHE 135 28.907 24.516 49.060 1.00 8.29 0 |
| 181 |
|
|
ATOM 178 CE2 PHE 135 30.505 26.273 48.568 1.00 5.72 0 |
| 182 |
|
|
ATOM 179 CZ PHE 135 30.199 25.047 49.159 1.00 7.22 0 |
| 183 |
|
|
ATOM 180 N VAL 136 26.253 30.225 46.751 1.00 2.62 0 |
| 184 |
|
|
ATOM 181 CA VAL 136 25.830 31.219 45.761 1.00 1.35 0 |
| 185 |
|
|
ATOM 182 C VAL 136 27.044 31.234 44.816 1.00 5.23 0 |
| 186 |
|
|
ATOM 183 O VAL 136 28.163 31.483 45.321 1.00 4.18 0 |
| 187 |
|
|
ATOM 184 CB VAL 136 25.671 32.609 46.354 1.00 5.55 0 |
| 188 |
|
|
ATOM 185 CG1 VAL 136 25.482 33.642 45.236 1.00 4.26 0 |
| 189 |
|
|
ATOM 186 CG2 VAL 136 24.418 32.602 47.233 1.00 6.40 0 |
| 190 |
|
|
TER 187 VAL |
| 191 |
|
|
CONECT 63 62 131 |
| 192 |
|
|
CONECT 131 63 130 |
| 193 |
|
|
END |
