NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype |
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|
391413 |
1pbz   |
cing | 3-converted-DOCR | XPLOR/CNS | coordinate | ensemble |
ATOM 1 C CYS A 1 -3.572 -3.750 0.064 1.00 0.00 A ATOM 2 CA CYS A 1 -5.038 -4.306 -0.100 1.00 0.00 A ATOM 3 CB CYS A 1 -5.948 -3.282 -0.824 1.00 0.00 A ATOM 4 HN CYS A 1 -6.316 -3.988 1.755 1.00 0.00 A ATOM 5 HA CYS A 1 -4.918 -5.175 -0.809 1.00 0.00 A ATOM 6 HB2 CYS A 1 -6.956 -3.689 -1.031 1.00 0.00 A ATOM 7 HB1 CYS A 1 -6.098 -2.367 -0.216 1.00 0.00 A ATOM 8 N CYS A 1 -5.795 -4.664 1.157 1.00 0.00 A ATOM 9 O CYS A 1 -2.868 -3.697 -0.951 1.00 0.00 A ATOM 10 SG CYS A 1 -5.209 -2.781 -2.396 1.00 0.00 A ATOM 11 C GLY A 2 -1.146 -2.537 2.761 1.00 0.00 A ATOM 12 CA GLY A 2 -1.781 -2.653 1.362 1.00 0.00 A ATOM 13 HN GLY A 2 -3.675 -3.465 2.072 1.00 0.00 A ATOM 14 HA2 GLY A 2 -1.026 -3.043 0.654 1.00 0.00 A ATOM 15 HA1 GLY A 2 -1.992 -1.623 1.007 1.00 0.00 A ATOM 16 N GLY A 2 -3.055 -3.402 1.262 1.00 0.00 A ATOM 17 O GLY A 2 -1.133 -1.451 3.336 1.00 0.00 A ATOM 18 C ALA A 3 1.745 -2.974 4.302 1.00 0.00 A ATOM 19 CA ALA A 3 0.297 -3.539 4.523 1.00 0.00 A ATOM 20 CB ALA A 3 0.279 -4.936 5.125 1.00 0.00 A ATOM 21 HN ALA A 3 -0.731 -4.503 2.819 1.00 0.00 A ATOM 22 HA ALA A 3 -0.186 -2.856 5.253 1.00 0.00 A ATOM 23 HB1 ALA A 3 0.841 -4.937 6.074 1.00 0.00 A ATOM 24 HB2 ALA A 3 0.747 -5.667 4.440 1.00 0.00 A ATOM 25 HB3 ALA A 3 -0.757 -5.255 5.339 1.00 0.00 A ATOM 26 N ALA A 3 -0.551 -3.615 3.294 1.00 0.00 A ATOM 27 O ALA A 3 2.263 -2.241 5.147 1.00 0.00 A ATOM 28 C GLU A 4 3.361 -1.082 2.402 1.00 0.00 A ATOM 29 CA GLU A 4 3.638 -2.607 2.719 1.00 0.00 A ATOM 30 CB GLU A 4 4.131 -3.351 1.478 1.00 0.00 A ATOM 31 CD GLU A 4 4.880 -5.563 0.427 1.00 0.00 A ATOM 32 CG GLU A 4 4.732 -4.765 1.701 1.00 0.00 A ATOM 33 HN GLU A 4 2.041 -4.120 2.664 1.00 0.00 A ATOM 34 HA GLU A 4 4.440 -2.679 3.459 1.00 0.00 A ATOM 35 HB2 GLU A 4 3.286 -3.388 0.768 1.00 0.00 A ATOM 36 HB1 GLU A 4 4.904 -2.710 1.023 1.00 0.00 A ATOM 37 HG2 GLU A 4 5.724 -4.709 2.178 1.00 0.00 A ATOM 38 HG1 GLU A 4 4.106 -5.378 2.369 1.00 0.00 A ATOM 39 N GLU A 4 2.414 -3.319 3.191 1.00 0.00 A ATOM 40 O GLU A 4 4.107 -0.195 2.829 1.00 0.00 A ATOM 41 OE1 GLU A 4 3.876 -6.159 -0.014 1.00 0.00 A ATOM 42 OE2 GLU A 4 5.998 -5.620 -0.122 1.00 0.00 A ATOM 43 C ALA A 5 1.427 1.284 2.928 1.00 0.00 A ATOM 44 CA ALA A 5 1.686 0.586 1.557 1.00 0.00 A ATOM 45 CB ALA A 5 0.347 0.435 0.825 1.00 0.00 A ATOM 46 HN ALA A 5 1.719 -1.663 1.514 1.00 0.00 A ATOM 47 HA ALA A 5 2.352 1.268 0.956 1.00 0.00 A ATOM 48 HB1 ALA A 5 -0.123 1.412 0.648 1.00 0.00 A ATOM 49 HB2 ALA A 5 -0.382 -0.121 1.440 1.00 0.00 A ATOM 50 HB3 ALA A 5 0.444 -0.101 -0.132 1.00 0.00 A ATOM 51 N ALA A 5 2.245 -0.791 1.692 1.00 0.00 A ATOM 52 O ALA A 5 1.842 2.428 3.064 1.00 0.00 A ATOM 53 C ALA A 6 2.056 1.379 6.034 1.00 0.00 A ATOM 54 CA ALA A 6 0.686 1.145 5.310 1.00 0.00 A ATOM 55 CB ALA A 6 -0.057 0.056 6.062 1.00 0.00 A ATOM 56 HN ALA A 6 0.408 -0.304 3.675 1.00 0.00 A ATOM 57 HA ALA A 6 0.049 2.070 5.362 1.00 0.00 A ATOM 58 HB1 ALA A 6 -0.215 0.369 7.106 1.00 0.00 A ATOM 59 HB2 ALA A 6 0.548 -0.867 6.094 1.00 0.00 A ATOM 60 HB3 ALA A 6 -1.025 -0.174 5.591 1.00 0.00 A ATOM 61 N ALA A 6 0.763 0.645 3.913 1.00 0.00 A ATOM 62 O ALA A 6 2.191 2.404 6.709 1.00 0.00 A ATOM 63 C LYS A 7 5.103 2.023 5.700 1.00 0.00 A ATOM 64 CA LYS A 7 4.450 0.759 6.362 1.00 0.00 A ATOM 65 CB LYS A 7 5.302 -0.532 6.231 1.00 0.00 A ATOM 66 CD LYS A 7 6.717 -0.252 8.400 1.00 0.00 A ATOM 67 CE LYS A 7 8.094 0.035 9.021 1.00 0.00 A ATOM 68 CG LYS A 7 6.718 -0.481 6.866 1.00 0.00 A ATOM 69 HN LYS A 7 2.819 -0.401 5.368 1.00 0.00 A ATOM 70 HA LYS A 7 4.362 1.009 7.439 1.00 0.00 A ATOM 71 HB2 LYS A 7 4.739 -1.387 6.653 1.00 0.00 A ATOM 72 HB1 LYS A 7 5.398 -0.770 5.151 1.00 0.00 A ATOM 73 HD2 LYS A 7 6.093 0.635 8.629 1.00 0.00 A ATOM 74 HD1 LYS A 7 6.193 -1.083 8.917 1.00 0.00 A ATOM 75 HE2 LYS A 7 8.622 0.828 8.439 1.00 0.00 A ATOM 76 HE1 LYS A 7 7.949 0.498 10.027 1.00 0.00 A ATOM 77 HG2 LYS A 7 7.248 -1.421 6.616 1.00 0.00 A ATOM 78 HG1 LYS A 7 7.301 0.317 6.360 1.00 0.00 A ATOM 79 HZ1 LYS A 7 8.432 -1.941 9.693 1.00 0.00 A ATOM 80 HZ2 LYS A 7 9.825 -1.084 9.566 1.00 0.00 A ATOM 81 HZ3 LYS A 7 9.078 -1.659 8.218 1.00 0.00 A ATOM 82 N LYS A 7 3.060 0.470 5.894 1.00 0.00 A ATOM 83 NZ LYS A 7 8.901 -1.217 9.130 1.00 0.00 A ATOM 84 O LYS A 7 5.741 2.809 6.403 1.00 0.00 A ATOM 85 C ALA A 8 4.410 4.728 4.211 1.00 0.00 A ATOM 86 CA ALA A 8 5.254 3.504 3.709 1.00 0.00 A ATOM 87 CB ALA A 8 4.964 3.305 2.235 1.00 0.00 A ATOM 88 HN ALA A 8 4.592 1.394 3.878 1.00 0.00 A ATOM 89 HA ALA A 8 6.338 3.717 3.751 1.00 0.00 A ATOM 90 HB1 ALA A 8 3.893 3.111 2.074 1.00 0.00 A ATOM 91 HB2 ALA A 8 5.555 2.468 1.837 1.00 0.00 A ATOM 92 HB3 ALA A 8 5.228 4.235 1.701 1.00 0.00 A ATOM 93 N ALA A 8 4.946 2.219 4.382 1.00 0.00 A ATOM 94 O ALA A 8 4.977 5.794 4.419 1.00 0.00 A ATOM 95 C HIS A 9 2.730 6.039 6.489 1.00 0.00 A ATOM 96 CA HIS A 9 2.215 5.607 5.064 1.00 0.00 A ATOM 97 CB HIS A 9 0.760 5.059 4.949 1.00 0.00 A ATOM 98 CD2 HIS A 9 0.344 5.297 2.346 1.00 0.00 A ATOM 99 CE1 HIS A 9 -1.194 3.748 2.101 1.00 0.00 A ATOM 100 CG HIS A 9 0.090 4.739 3.587 1.00 0.00 A ATOM 101 HN HIS A 9 2.709 3.633 4.190 1.00 0.00 A ATOM 102 HA HIS A 9 2.289 6.563 4.515 1.00 0.00 A ATOM 103 HB2 HIS A 9 0.739 4.136 5.551 1.00 0.00 A ATOM 104 HB1 HIS A 9 0.099 5.761 5.473 1.00 0.00 A ATOM 105 HD1 HIS A 9 -1.237 3.092 4.195 1.00 0.00 A ATOM 106 HD2 HIS A 9 1.096 6.034 2.098 1.00 0.00 A ATOM 107 HE1 HIS A 9 -1.905 3.039 1.667 1.00 0.00 A ATOM 108 N HIS A 9 3.075 4.586 4.395 1.00 0.00 A ATOM 109 ND1 HIS A 9 -0.842 3.694 3.461 1.00 0.00 A ATOM 110 NE2 HIS A 9 -0.526 4.747 1.475 1.00 0.00 A ATOM 111 O HIS A 9 3.057 7.219 6.628 1.00 0.00 A ATOM 112 C ALA A 10 5.100 6.033 8.553 1.00 0.00 A ATOM 113 CA ALA A 10 3.660 5.431 8.728 1.00 0.00 A ATOM 114 CB ALA A 10 3.710 4.053 9.428 1.00 0.00 A ATOM 115 HN ALA A 10 2.205 4.386 7.593 1.00 0.00 A ATOM 116 HA ALA A 10 3.090 6.143 9.349 1.00 0.00 A ATOM 117 HB1 ALA A 10 4.248 4.115 10.390 1.00 0.00 A ATOM 118 HB2 ALA A 10 2.706 3.641 9.635 1.00 0.00 A ATOM 119 HB3 ALA A 10 4.248 3.303 8.811 1.00 0.00 A ATOM 120 N ALA A 10 2.899 5.138 7.487 1.00 0.00 A ATOM 121 O ALA A 10 5.409 7.056 9.166 1.00 0.00 A ATOM 122 C LYS A 11 7.361 7.462 6.863 1.00 0.00 A ATOM 123 CA LYS A 11 7.324 5.992 7.415 1.00 0.00 A ATOM 124 CB LYS A 11 8.095 4.991 6.510 1.00 0.00 A ATOM 125 CD LYS A 11 10.596 5.027 7.348 1.00 0.00 A ATOM 126 CE LYS A 11 10.756 6.161 8.378 1.00 0.00 A ATOM 127 CG LYS A 11 9.594 5.275 6.195 1.00 0.00 A ATOM 128 HN LYS A 11 5.440 4.795 7.062 1.00 0.00 A ATOM 129 HA LYS A 11 7.822 6.032 8.399 1.00 0.00 A ATOM 130 HB2 LYS A 11 8.003 3.976 6.938 1.00 0.00 A ATOM 131 HB1 LYS A 11 7.546 4.932 5.548 1.00 0.00 A ATOM 132 HD2 LYS A 11 10.285 4.112 7.890 1.00 0.00 A ATOM 133 HD1 LYS A 11 11.591 4.765 6.937 1.00 0.00 A ATOM 134 HE2 LYS A 11 9.774 6.551 8.712 1.00 0.00 A ATOM 135 HE1 LYS A 11 11.149 5.748 9.336 1.00 0.00 A ATOM 136 HG2 LYS A 11 9.881 4.608 5.357 1.00 0.00 A ATOM 137 HG1 LYS A 11 9.723 6.293 5.775 1.00 0.00 A ATOM 138 HZ1 LYS A 11 11.587 7.987 8.768 1.00 0.00 A ATOM 139 HZ2 LYS A 11 12.592 7.100 7.814 1.00 0.00 A ATOM 140 HZ3 LYS A 11 11.239 7.852 7.172 1.00 0.00 A ATOM 141 N LYS A 11 5.957 5.431 7.699 1.00 0.00 A ATOM 142 NZ LYS A 11 11.601 7.315 7.967 1.00 0.00 A ATOM 143 O LYS A 11 8.194 8.277 7.282 1.00 0.00 A ATOM 144 C ALA A 12 5.548 9.977 6.623 1.00 0.00 A ATOM 145 CA ALA A 12 6.154 9.120 5.458 1.00 0.00 A ATOM 146 CB ALA A 12 5.287 8.956 4.198 1.00 0.00 A ATOM 147 HN ALA A 12 5.852 6.965 5.658 1.00 0.00 A ATOM 148 HA ALA A 12 7.096 9.606 5.146 1.00 0.00 A ATOM 149 HB1 ALA A 12 5.074 9.933 3.737 1.00 0.00 A ATOM 150 HB2 ALA A 12 4.312 8.481 4.412 1.00 0.00 A ATOM 151 HB3 ALA A 12 5.791 8.360 3.415 1.00 0.00 A ATOM 152 N ALA A 12 6.460 7.753 5.914 1.00 0.00 A ATOM 153 O ALA A 12 6.276 10.774 7.181 1.00 0.00 A ATOM 154 C ALA A 13 4.693 10.725 9.588 1.00 0.00 A ATOM 155 CA ALA A 13 3.755 10.436 8.339 1.00 0.00 A ATOM 156 CB ALA A 13 2.546 9.547 8.657 1.00 0.00 A ATOM 157 HN ALA A 13 3.763 9.294 6.396 1.00 0.00 A ATOM 158 HA ALA A 13 3.360 11.432 8.072 1.00 0.00 A ATOM 159 HB1 ALA A 13 2.870 8.520 8.911 1.00 0.00 A ATOM 160 HB2 ALA A 13 1.858 9.469 7.791 1.00 0.00 A ATOM 161 HB3 ALA A 13 1.967 9.946 9.504 1.00 0.00 A ATOM 162 N ALA A 13 4.310 9.807 7.083 1.00 0.00 A ATOM 163 O ALA A 13 4.469 11.665 10.352 1.00 0.00 A ATOM 164 C GLU A 14 7.895 11.196 10.045 1.00 0.00 A ATOM 165 CA GLU A 14 6.896 10.114 10.644 1.00 0.00 A ATOM 166 CB GLU A 14 7.536 8.706 10.872 1.00 0.00 A ATOM 167 CD GLU A 14 9.918 7.710 11.145 1.00 0.00 A ATOM 168 CG GLU A 14 8.852 8.632 11.711 1.00 0.00 A ATOM 169 HN GLU A 14 5.714 9.259 8.929 1.00 0.00 A ATOM 170 HA GLU A 14 6.546 10.495 11.623 1.00 0.00 A ATOM 171 HB2 GLU A 14 6.788 8.036 11.338 1.00 0.00 A ATOM 172 HB1 GLU A 14 7.715 8.245 9.882 1.00 0.00 A ATOM 173 HG2 GLU A 14 9.322 9.625 11.821 1.00 0.00 A ATOM 174 HG1 GLU A 14 8.640 8.301 12.741 1.00 0.00 A ATOM 175 N GLU A 14 5.721 9.886 9.749 1.00 0.00 A ATOM 176 O GLU A 14 7.988 12.301 10.586 1.00 0.00 A ATOM 177 OE1 GLU A 14 9.771 6.473 11.239 1.00 0.00 A ATOM 178 OE2 GLU A 14 10.879 8.211 10.518 1.00 0.00 A ATOM 179 C ALA A 15 9.009 12.648 7.014 1.00 0.00 A ATOM 180 CA ALA A 15 9.563 11.873 8.280 1.00 0.00 A ATOM 181 CB ALA A 15 10.855 11.082 7.996 1.00 0.00 A ATOM 182 HN ALA A 15 8.539 9.904 8.684 1.00 0.00 A ATOM 183 HA ALA A 15 9.835 12.670 9.002 1.00 0.00 A ATOM 184 HB1 ALA A 15 11.642 11.743 7.588 1.00 0.00 A ATOM 185 HB2 ALA A 15 11.264 10.631 8.923 1.00 0.00 A ATOM 186 HB3 ALA A 15 10.685 10.271 7.267 1.00 0.00 A ATOM 187 N ALA A 15 8.645 10.893 8.957 1.00 0.00 A ATOM 188 O ALA A 15 9.230 13.853 6.878 1.00 0.00 A ATOM 189 C GLY A 16 6.172 13.050 5.362 1.00 0.00 A ATOM 190 CA GLY A 16 7.575 12.537 4.949 1.00 0.00 A ATOM 191 HN GLY A 16 8.006 11.096 6.497 1.00 0.00 A ATOM 192 HA2 GLY A 16 8.089 13.338 4.425 1.00 0.00 A ATOM 193 HA1 GLY A 16 7.407 11.709 4.225 1.00 0.00 A ATOM 194 N GLY A 16 8.384 11.942 6.056 1.00 0.00 A ATOM 195 O GLY A 16 6.028 13.863 6.277 1.00 0.00 A ATOM 196 C CYS A 17 2.883 11.697 4.334 1.00 0.00 A ATOM 197 CA CYS A 17 3.731 12.712 5.121 1.00 0.00 A ATOM 198 CB CYS A 17 3.265 14.183 4.937 1.00 0.00 A ATOM 199 HN CYS A 17 5.374 12.015 3.831 1.00 0.00 A ATOM 200 HA CYS A 17 3.705 12.385 6.195 1.00 0.00 A ATOM 201 HB2 CYS A 17 3.437 14.745 5.873 1.00 0.00 A ATOM 202 HB1 CYS A 17 3.873 14.707 4.174 1.00 0.00 A ATOM 203 N CYS A 17 5.131 12.549 4.677 1.00 0.00 A ATOM 204 O CYS A 17 2.220 10.793 4.854 1.00 0.00 A ATOM 205 SG CYS A 17 1.543 14.379 4.426 1.00 0.00 A ATOM 206 HN1 NH2 A 18 3.512 12.653 2.653 1.00 0.00 A ATOM 207 HN2 NH2 A 18 2.429 11.267 2.399 1.00 0.00 A ATOM 208 N NH2 A 18 2.946 11.886 3.033 1.00 0.00 A TER ATOM 209 C CYS B 1 -6.865 0.624 -5.580 1.00 0.00 B ATOM 210 CA CYS B 1 -7.967 -0.080 -4.684 1.00 0.00 B ATOM 211 CB CYS B 1 -7.456 -1.380 -4.005 1.00 0.00 B ATOM 212 HN CYS B 1 -9.610 -1.367 -5.637 1.00 0.00 B ATOM 213 HA CYS B 1 -8.133 0.660 -3.848 1.00 0.00 B ATOM 214 HB2 CYS B 1 -8.199 -1.813 -3.305 1.00 0.00 B ATOM 215 HB1 CYS B 1 -7.194 -2.179 -4.722 1.00 0.00 B ATOM 216 N CYS B 1 -9.282 -0.429 -5.351 1.00 0.00 B ATOM 217 O CYS B 1 -5.951 1.233 -5.023 1.00 0.00 B ATOM 218 SG CYS B 1 -5.990 -1.044 -3.011 1.00 0.00 B ATOM 219 C GLY B 2 -6.509 2.879 -8.049 1.00 0.00 B ATOM 220 CA GLY B 2 -6.049 1.418 -7.805 1.00 0.00 B ATOM 221 HN GLY B 2 -7.773 0.135 -7.306 1.00 0.00 B ATOM 222 HA2 GLY B 2 -5.019 1.450 -7.396 1.00 0.00 B ATOM 223 HA1 GLY B 2 -5.936 0.935 -8.791 1.00 0.00 B ATOM 224 N GLY B 2 -6.926 0.577 -6.935 1.00 0.00 B ATOM 225 O GLY B 2 -5.691 3.791 -7.955 1.00 0.00 B ATOM 226 C ALA B 3 -8.637 5.284 -7.200 1.00 0.00 B ATOM 227 CA ALA B 3 -8.344 4.491 -8.517 1.00 0.00 B ATOM 228 CB ALA B 3 -9.593 4.330 -9.378 1.00 0.00 B ATOM 229 HN ALA B 3 -8.391 2.297 -8.430 1.00 0.00 B ATOM 230 HA ALA B 3 -7.622 5.112 -9.089 1.00 0.00 B ATOM 231 HB1 ALA B 3 -9.353 3.856 -10.348 1.00 0.00 B ATOM 232 HB2 ALA B 3 -10.036 5.318 -9.589 1.00 0.00 B ATOM 233 HB3 ALA B 3 -10.356 3.717 -8.861 1.00 0.00 B ATOM 234 N ALA B 3 -7.785 3.118 -8.386 1.00 0.00 B ATOM 235 O ALA B 3 -8.403 6.496 -7.184 1.00 0.00 B ATOM 236 C GLU B 4 -7.775 5.690 -4.188 1.00 0.00 B ATOM 237 CA GLU B 4 -9.188 5.311 -4.765 1.00 0.00 B ATOM 238 CB GLU B 4 -10.123 4.500 -3.829 1.00 0.00 B ATOM 239 CD GLU B 4 -11.903 6.393 -3.319 1.00 0.00 B ATOM 240 CG GLU B 4 -10.910 5.358 -2.793 1.00 0.00 B ATOM 241 HN GLU B 4 -9.491 3.701 -6.259 1.00 0.00 B ATOM 242 HA GLU B 4 -9.660 6.284 -4.929 1.00 0.00 B ATOM 243 HB2 GLU B 4 -10.878 3.946 -4.422 1.00 0.00 B ATOM 244 HB1 GLU B 4 -9.540 3.712 -3.316 1.00 0.00 B ATOM 245 HG2 GLU B 4 -11.494 4.704 -2.125 1.00 0.00 B ATOM 246 HG1 GLU B 4 -10.208 5.895 -2.131 1.00 0.00 B ATOM 247 N GLU B 4 -9.132 4.654 -6.113 1.00 0.00 B ATOM 248 O GLU B 4 -7.570 6.801 -3.681 1.00 0.00 B ATOM 249 OE1 GLU B 4 -12.426 6.268 -4.449 1.00 0.00 B ATOM 250 OE2 GLU B 4 -12.129 7.387 -2.604 1.00 0.00 B ATOM 251 C ALA B 5 -4.912 6.364 -5.083 1.00 0.00 B ATOM 252 CA ALA B 5 -5.336 5.188 -4.156 1.00 0.00 B ATOM 253 CB ALA B 5 -4.447 4.017 -4.591 1.00 0.00 B ATOM 254 HN ALA B 5 -7.099 3.983 -4.880 1.00 0.00 B ATOM 255 HA ALA B 5 -5.098 5.495 -3.102 1.00 0.00 B ATOM 256 HB1 ALA B 5 -4.573 3.138 -3.953 1.00 0.00 B ATOM 257 HB2 ALA B 5 -4.677 3.726 -5.637 1.00 0.00 B ATOM 258 HB3 ALA B 5 -3.383 4.312 -4.621 1.00 0.00 B ATOM 259 N ALA B 5 -6.768 4.802 -4.343 1.00 0.00 B ATOM 260 O ALA B 5 -4.307 7.307 -4.579 1.00 0.00 B ATOM 261 C ALA B 6 -5.333 8.823 -6.944 1.00 0.00 B ATOM 262 CA ALA B 6 -4.790 7.385 -7.322 1.00 0.00 B ATOM 263 CB ALA B 6 -5.308 6.995 -8.694 1.00 0.00 B ATOM 264 HN ALA B 6 -5.750 5.515 -6.755 1.00 0.00 B ATOM 265 HA ALA B 6 -3.684 7.259 -7.338 1.00 0.00 B ATOM 266 HB1 ALA B 6 -4.942 5.998 -8.981 1.00 0.00 B ATOM 267 HB2 ALA B 6 -6.412 6.996 -8.697 1.00 0.00 B ATOM 268 HB3 ALA B 6 -4.963 7.738 -9.431 1.00 0.00 B ATOM 269 N ALA B 6 -5.205 6.321 -6.403 1.00 0.00 B ATOM 270 O ALA B 6 -4.570 9.786 -6.872 1.00 0.00 B ATOM 271 C LYS B 7 -6.686 10.590 -4.707 1.00 0.00 B ATOM 272 CA LYS B 7 -7.333 10.088 -6.044 1.00 0.00 B ATOM 273 CB LYS B 7 -8.821 9.673 -5.850 1.00 0.00 B ATOM 274 CD LYS B 7 -11.049 10.427 -4.715 1.00 0.00 B ATOM 275 CE LYS B 7 -11.860 9.187 -5.140 1.00 0.00 B ATOM 276 CG LYS B 7 -9.814 10.830 -5.558 1.00 0.00 B ATOM 277 HN LYS B 7 -7.136 8.009 -6.810 1.00 0.00 B ATOM 278 HA LYS B 7 -7.266 10.933 -6.766 1.00 0.00 B ATOM 279 HB2 LYS B 7 -9.188 9.119 -6.736 1.00 0.00 B ATOM 280 HB1 LYS B 7 -8.858 8.923 -5.032 1.00 0.00 B ATOM 281 HD2 LYS B 7 -10.692 10.226 -3.682 1.00 0.00 B ATOM 282 HD1 LYS B 7 -11.718 11.301 -4.588 1.00 0.00 B ATOM 283 HE2 LYS B 7 -11.200 8.289 -5.148 1.00 0.00 B ATOM 284 HE1 LYS B 7 -12.591 8.938 -4.335 1.00 0.00 B ATOM 285 HG2 LYS B 7 -9.291 11.637 -5.001 1.00 0.00 B ATOM 286 HG1 LYS B 7 -10.117 11.316 -6.505 1.00 0.00 B ATOM 287 HZ1 LYS B 7 -13.254 10.109 -6.416 1.00 0.00 B ATOM 288 HZ2 LYS B 7 -11.917 9.538 -7.208 1.00 0.00 B ATOM 289 HZ3 LYS B 7 -13.076 8.487 -6.675 1.00 0.00 B ATOM 290 N LYS B 7 -6.653 8.907 -6.654 1.00 0.00 B ATOM 291 NZ LYS B 7 -12.564 9.349 -6.435 1.00 0.00 B ATOM 292 O LYS B 7 -6.430 11.785 -4.590 1.00 0.00 B ATOM 293 C ALA B 8 -4.097 10.604 -2.871 1.00 0.00 B ATOM 294 CA ALA B 8 -5.546 10.080 -2.550 1.00 0.00 B ATOM 295 CB ALA B 8 -5.336 8.794 -1.771 1.00 0.00 B ATOM 296 HN ALA B 8 -6.753 8.759 -3.854 1.00 0.00 B ATOM 297 HA ALA B 8 -6.090 10.767 -1.867 1.00 0.00 B ATOM 298 HB1 ALA B 8 -4.761 8.060 -2.361 1.00 0.00 B ATOM 299 HB2 ALA B 8 -6.290 8.349 -1.461 1.00 0.00 B ATOM 300 HB3 ALA B 8 -4.735 9.040 -0.882 1.00 0.00 B ATOM 301 N ALA B 8 -6.399 9.717 -3.717 1.00 0.00 B ATOM 302 O ALA B 8 -3.541 11.437 -2.152 1.00 0.00 B ATOM 303 C HIS B 9 -2.020 11.787 -4.970 1.00 0.00 B ATOM 304 CA HIS B 9 -2.070 10.352 -4.330 1.00 0.00 B ATOM 305 CB HIS B 9 -1.614 9.100 -5.132 1.00 0.00 B ATOM 306 CD2 HIS B 9 -1.450 7.623 -2.954 1.00 0.00 B ATOM 307 CE1 HIS B 9 -1.120 5.672 -3.878 1.00 0.00 B ATOM 308 CG HIS B 9 -1.397 7.787 -4.335 1.00 0.00 B ATOM 309 HN HIS B 9 -4.074 9.428 -4.501 1.00 0.00 B ATOM 310 HA HIS B 9 -1.394 10.412 -3.455 1.00 0.00 B ATOM 311 HB2 HIS B 9 -2.351 8.906 -5.937 1.00 0.00 B ATOM 312 HB1 HIS B 9 -0.682 9.350 -5.658 1.00 0.00 B ATOM 313 HD1 HIS B 9 -1.014 6.362 -5.954 1.00 0.00 B ATOM 314 HD2 HIS B 9 -1.677 8.406 -2.231 1.00 0.00 B ATOM 315 HE1 HIS B 9 -0.996 4.603 -4.048 1.00 0.00 B ATOM 316 N HIS B 9 -3.453 10.006 -3.890 1.00 0.00 B ATOM 317 ND1 HIS B 9 -1.256 6.552 -4.972 1.00 0.00 B ATOM 318 NE2 HIS B 9 -1.184 6.330 -2.688 1.00 0.00 B ATOM 319 O HIS B 9 -1.229 12.627 -4.526 1.00 0.00 B ATOM 320 C ALA B 10 -3.689 14.418 -5.249 1.00 0.00 B ATOM 321 CA ALA B 10 -3.242 13.437 -6.392 1.00 0.00 B ATOM 322 CB ALA B 10 -4.376 13.207 -7.417 1.00 0.00 B ATOM 323 HN ALA B 10 -3.266 11.277 -6.482 1.00 0.00 B ATOM 324 HA ALA B 10 -2.362 13.887 -6.884 1.00 0.00 B ATOM 325 HB1 ALA B 10 -5.266 12.738 -6.947 1.00 0.00 B ATOM 326 HB2 ALA B 10 -4.725 14.161 -7.849 1.00 0.00 B ATOM 327 HB3 ALA B 10 -4.073 12.553 -8.255 1.00 0.00 B ATOM 328 N ALA B 10 -2.921 12.067 -5.929 1.00 0.00 B ATOM 329 O ALA B 10 -3.110 15.493 -5.138 1.00 0.00 B ATOM 330 C LYS B 11 -3.815 15.389 -2.292 1.00 0.00 B ATOM 331 CA LYS B 11 -5.011 14.833 -3.149 1.00 0.00 B ATOM 332 CB LYS B 11 -6.034 14.003 -2.317 1.00 0.00 B ATOM 333 CD LYS B 11 -7.134 16.002 -1.078 1.00 0.00 B ATOM 334 CE LYS B 11 -6.992 16.906 0.150 1.00 0.00 B ATOM 335 CG LYS B 11 -6.495 14.596 -0.960 1.00 0.00 B ATOM 336 HN LYS B 11 -4.808 13.007 -4.446 1.00 0.00 B ATOM 337 HA LYS B 11 -5.558 15.718 -3.520 1.00 0.00 B ATOM 338 HB2 LYS B 11 -6.917 13.797 -2.950 1.00 0.00 B ATOM 339 HB1 LYS B 11 -5.590 13.013 -2.111 1.00 0.00 B ATOM 340 HD2 LYS B 11 -6.621 16.568 -1.877 1.00 0.00 B ATOM 341 HD1 LYS B 11 -8.175 15.947 -1.453 1.00 0.00 B ATOM 342 HE2 LYS B 11 -5.913 17.010 0.416 1.00 0.00 B ATOM 343 HE1 LYS B 11 -7.281 17.946 -0.146 1.00 0.00 B ATOM 344 HG2 LYS B 11 -7.196 13.894 -0.470 1.00 0.00 B ATOM 345 HG1 LYS B 11 -5.612 14.630 -0.287 1.00 0.00 B ATOM 346 HZ1 LYS B 11 -7.524 15.433 1.546 1.00 0.00 B ATOM 347 HZ2 LYS B 11 -8.807 16.300 1.011 1.00 0.00 B ATOM 348 HZ3 LYS B 11 -7.774 16.955 2.125 1.00 0.00 B ATOM 349 N LYS B 11 -4.629 14.023 -4.359 1.00 0.00 B ATOM 350 NZ LYS B 11 -7.818 16.381 1.274 1.00 0.00 B ATOM 351 O LYS B 11 -3.733 16.583 -1.975 1.00 0.00 B ATOM 352 C ALA B 12 -0.773 15.847 -2.301 1.00 0.00 B ATOM 353 CA ALA B 12 -1.574 14.856 -1.381 1.00 0.00 B ATOM 354 CB ALA B 12 -0.874 13.522 -1.046 1.00 0.00 B ATOM 355 HN ALA B 12 -3.162 13.524 -2.167 1.00 0.00 B ATOM 356 HA ALA B 12 -1.787 15.398 -0.441 1.00 0.00 B ATOM 357 HB1 ALA B 12 0.137 13.691 -0.633 1.00 0.00 B ATOM 358 HB2 ALA B 12 -1.440 12.949 -0.290 1.00 0.00 B ATOM 359 HB3 ALA B 12 -0.752 12.879 -1.937 1.00 0.00 B ATOM 360 N ALA B 12 -2.882 14.487 -1.951 1.00 0.00 B ATOM 361 O ALA B 12 -0.744 17.040 -1.993 1.00 0.00 B ATOM 362 C ALA B 13 -0.486 17.643 -4.947 1.00 0.00 B ATOM 363 CA ALA B 13 0.328 16.358 -4.499 1.00 0.00 B ATOM 364 CB ALA B 13 0.573 15.413 -5.693 1.00 0.00 B ATOM 365 HN ALA B 13 -0.371 14.444 -3.666 1.00 0.00 B ATOM 366 HA ALA B 13 1.309 16.731 -4.147 1.00 0.00 B ATOM 367 HB1 ALA B 13 1.051 15.944 -6.534 1.00 0.00 B ATOM 368 HB2 ALA B 13 1.228 14.558 -5.436 1.00 0.00 B ATOM 369 HB3 ALA B 13 -0.378 14.994 -6.077 1.00 0.00 B ATOM 370 N ALA B 13 -0.224 15.433 -3.457 1.00 0.00 B ATOM 371 O ALA B 13 0.060 18.506 -5.637 1.00 0.00 B ATOM 372 C GLU B 14 -2.279 19.976 -3.484 1.00 0.00 B ATOM 373 CA GLU B 14 -2.597 18.995 -4.653 1.00 0.00 B ATOM 374 CB GLU B 14 -4.077 18.515 -4.804 1.00 0.00 B ATOM 375 CD GLU B 14 -6.188 18.901 -3.304 1.00 0.00 B ATOM 376 CG GLU B 14 -5.263 19.449 -4.392 1.00 0.00 B ATOM 377 HN GLU B 14 -1.965 17.009 -3.814 1.00 0.00 B ATOM 378 HA GLU B 14 -2.333 19.531 -5.586 1.00 0.00 B ATOM 379 HB2 GLU B 14 -4.198 18.213 -5.861 1.00 0.00 B ATOM 380 HB1 GLU B 14 -4.203 17.565 -4.260 1.00 0.00 B ATOM 381 HG2 GLU B 14 -4.917 20.440 -4.054 1.00 0.00 B ATOM 382 HG1 GLU B 14 -5.902 19.654 -5.267 1.00 0.00 B ATOM 383 N GLU B 14 -1.750 17.765 -4.516 1.00 0.00 B ATOM 384 O GLU B 14 -1.700 21.044 -3.702 1.00 0.00 B ATOM 385 OE1 GLU B 14 -7.143 18.172 -3.647 1.00 0.00 B ATOM 386 OE2 GLU B 14 -5.971 19.169 -2.102 1.00 0.00 B ATOM 387 C ALA B 15 -0.752 19.697 -0.518 1.00 0.00 B ATOM 388 CA ALA B 15 -2.109 20.303 -1.031 1.00 0.00 B ATOM 389 CB ALA B 15 -3.251 20.062 -0.050 1.00 0.00 B ATOM 390 HN ALA B 15 -3.138 18.704 -2.201 1.00 0.00 B ATOM 391 HA ALA B 15 -2.011 21.398 -1.199 1.00 0.00 B ATOM 392 HB1 ALA B 15 -3.020 20.560 0.904 1.00 0.00 B ATOM 393 HB2 ALA B 15 -4.202 20.456 -0.450 1.00 0.00 B ATOM 394 HB3 ALA B 15 -3.366 18.978 0.145 1.00 0.00 B ATOM 395 N ALA B 15 -2.591 19.585 -2.240 1.00 0.00 B ATOM 396 O ALA B 15 -0.595 19.409 0.670 1.00 0.00 B ATOM 397 C GLY B 16 1.879 18.131 0.015 1.00 0.00 B ATOM 398 CA GLY B 16 1.523 18.842 -1.315 1.00 0.00 B ATOM 399 HN GLY B 16 -0.417 19.324 -2.139 1.00 0.00 B ATOM 400 HA2 GLY B 16 1.550 18.115 -2.162 1.00 0.00 B ATOM 401 HA1 GLY B 16 2.379 19.487 -1.565 1.00 0.00 B ATOM 402 N GLY B 16 0.253 19.663 -1.417 1.00 0.00 B ATOM 403 O GLY B 16 2.697 18.477 0.867 1.00 0.00 B ATOM 404 C CYS B 17 0.151 16.806 2.441 1.00 0.00 B ATOM 405 CA CYS B 17 0.757 16.152 1.149 1.00 0.00 B ATOM 406 CB CYS B 17 1.923 15.181 1.416 1.00 0.00 B ATOM 407 HN CYS B 17 0.442 17.254 -0.772 1.00 0.00 B ATOM 408 HA CYS B 17 -0.088 15.552 0.713 1.00 0.00 B ATOM 409 HB2 CYS B 17 2.294 14.731 0.476 1.00 0.00 B ATOM 410 HB1 CYS B 17 2.788 15.700 1.870 1.00 0.00 B ATOM 411 N CYS B 17 1.075 17.076 0.036 1.00 0.00 B ATOM 412 O CYS B 17 -0.988 16.541 2.817 1.00 0.00 B ATOM 413 SG CYS B 17 1.382 13.843 2.499 1.00 0.00 B ATOM 414 HN1 NH2 B 18 1.660 18.049 2.681 1.00 0.00 B ATOM 415 HN2 NH2 B 18 0.268 18.136 3.874 1.00 0.00 B ATOM 416 N NH2 B 18 0.837 17.667 3.167 1.00 0.00 B TER ATOM 417 C PC3 C 20 -4.952 3.973 -0.355 1.00 0.00 C ATOM 418 C1 PC3 C 20 -5.112 5.306 0.227 1.00 0.00 C ATOM 419 C10 PC3 C 20 -1.675 0.190 -2.704 1.00 0.00 C ATOM 420 C11 PC3 C 20 4.740 4.922 -1.704 1.00 0.00 C ATOM 421 C12 PC3 C 20 -2.975 10.597 1.370 1.00 0.00 C ATOM 422 C14 PC3 C 20 -6.081 2.897 -0.356 1.00 0.00 C ATOM 423 C15 PC3 C 20 -5.816 1.356 -0.324 1.00 0.00 C ATOM 424 C16 PC3 C 20 1.387 1.076 -3.565 1.00 0.00 C ATOM 425 C17 PC3 C 20 2.380 1.889 -4.470 1.00 0.00 C ATOM 426 C18 PC3 C 20 4.307 7.991 -0.467 1.00 0.00 C ATOM 427 C19 PC3 C 20 3.749 9.134 0.405 1.00 0.00 C ATOM 428 C2 PC3 C 20 -2.054 9.384 1.063 1.00 0.00 C ATOM 429 C21 PC3 C 20 -4.963 0.733 0.795 1.00 0.00 C ATOM 430 C22 PC3 C 20 -4.671 9.961 3.199 1.00 0.00 C ATOM 431 C23 PC3 C 20 4.697 10.303 0.681 1.00 0.00 C ATOM 432 C24 PC3 C 20 1.902 3.144 -5.226 1.00 0.00 C ATOM 433 C2A PC3 C 20 -3.812 5.906 0.190 1.00 0.00 C ATOM 434 C2C PC3 C 20 -3.551 3.933 -0.694 1.00 0.00 C ATOM 435 C3 PC3 C 20 -0.616 9.580 0.952 1.00 0.00 C ATOM 436 C4 PC3 C 20 3.276 6.915 -0.727 1.00 0.00 C ATOM 437 C4A PC3 C 20 -0.128 8.375 0.394 1.00 0.00 C ATOM 438 C4C PC3 C 20 -2.249 8.004 0.645 1.00 0.00 C ATOM 439 C5 PC3 C 20 3.466 5.586 -1.233 1.00 0.00 C ATOM 440 C6 PC3 C 20 0.443 1.808 -2.572 1.00 0.00 C ATOM 441 C6A PC3 C 20 2.173 5.028 -1.257 1.00 0.00 C ATOM 442 C6C PC3 C 20 1.892 7.001 -0.479 1.00 0.00 C ATOM 443 C7 PC3 C 20 -0.939 1.461 -2.282 1.00 0.00 C ATOM 444 C8 PC3 C 20 0.219 10.832 1.274 1.00 0.00 C ATOM 445 C8A PC3 C 20 -1.484 2.633 -1.670 1.00 0.00 C ATOM 446 C8C PC3 C 20 0.618 3.057 -1.908 1.00 0.00 C ATOM 447 C9 PC3 C 20 -6.401 5.897 0.801 1.00 0.00 C ATOM 448 CA PC3 C 20 -3.499 7.256 0.668 1.00 0.00 C ATOM 449 CB PC3 C 20 1.261 8.168 0.055 1.00 0.00 C ATOM 450 CC PC3 C 20 1.895 3.708 -1.724 1.00 0.00 C ATOM 451 CD PC3 C 20 -2.877 2.812 -1.321 1.00 0.00 C ATOM 452 CO3 PC3 C 20 -0.848 5.480 -0.612 1.00 0.00 C ATOM 453 CX5 PC3 C 20 -4.456 10.485 1.795 1.00 0.00 C ATOM 454 H101 PC3 C 20 -2.390 -0.154 -1.931 1.00 0.00 C ATOM 455 H102 PC3 C 20 -2.246 0.338 -3.640 1.00 0.00 C ATOM 456 H103 PC3 C 20 -0.980 -0.653 -2.879 1.00 0.00 C ATOM 457 H111 PC3 C 20 5.298 4.456 -0.871 1.00 0.00 C ATOM 458 H112 PC3 C 20 5.419 5.658 -2.176 1.00 0.00 C ATOM 459 H113 PC3 C 20 4.541 4.140 -2.461 1.00 0.00 C ATOM 460 H121 PC3 C 20 -2.938 11.270 0.495 1.00 0.00 C ATOM 461 H122 PC3 C 20 -2.494 11.190 2.174 1.00 0.00 C ATOM 462 H141 PC3 C 20 -6.722 3.095 0.525 1.00 0.00 C ATOM 463 H142 PC3 C 20 -6.750 3.114 -1.211 1.00 0.00 C ATOM 464 H151 PC3 C 20 -6.797 0.848 -0.271 1.00 0.00 C ATOM 465 H152 PC3 C 20 -5.408 1.012 -1.286 1.00 0.00 C ATOM 466 H161 PC3 C 20 0.755 0.489 -4.259 1.00 0.00 C ATOM 467 H162 PC3 C 20 1.957 0.305 -3.014 1.00 0.00 C ATOM 468 H171 PC3 C 20 2.787 1.202 -5.235 1.00 0.00 C ATOM 469 H172 PC3 C 20 3.276 2.182 -3.901 1.00 0.00 C ATOM 470 H181 PC3 C 20 4.676 8.406 -1.426 1.00 0.00 C ATOM 471 H182 PC3 C 20 5.206 7.562 0.017 1.00 0.00 C ATOM 472 H191 PC3 C 20 3.429 8.742 1.386 1.00 0.00 C ATOM 473 H192 PC3 C 20 2.855 9.573 -0.067 1.00 0.00 C ATOM 474 H221 PC3 C 20 -5.064 9.886 1.104 1.00 0.00 C ATOM 475 H222 PC3 C 20 -4.912 11.491 1.770 1.00 0.00 C ATOM 476 H81 PC3 C 20 -0.383 11.656 1.698 1.00 0.00 C ATOM 477 H82 PC3 C 20 1.005 10.615 2.022 1.00 0.00 C ATOM 478 H83 PC3 C 20 0.731 11.239 0.382 1.00 0.00 C ATOM 479 H91 PC3 C 20 -6.469 6.994 0.675 1.00 0.00 C ATOM 480 H92 PC3 C 20 -7.306 5.473 0.326 1.00 0.00 C ATOM 481 H93 PC3 C 20 -6.486 5.699 1.887 1.00 0.00 C ATOM 482 HA PC3 C 20 -4.334 7.786 1.107 1.00 0.00 C ATOM 483 HB PC3 C 20 1.926 9.002 0.250 1.00 0.00 C ATOM 484 HC PC3 C 20 2.758 3.152 -2.064 1.00 0.00 C ATOM 485 HD PC3 C 20 -3.507 1.967 -1.551 1.00 0.00 C ATOM 486 N2B PC3 C 20 -2.848 5.084 -0.354 1.00 0.00 C ATOM 487 N4B PC3 C 20 -1.088 7.400 0.189 1.00 0.00 C ATOM 488 N6B PC3 C 20 1.184 5.862 -0.792 1.00 0.00 C ATOM 489 N8B PC3 C 20 -0.554 3.620 -1.442 1.00 0.00 C ATOM 490 O1 PC3 C 20 -3.874 1.298 1.077 1.00 0.00 C ATOM 491 O2 PC3 C 20 -5.314 -0.338 1.318 1.00 0.00 C ATOM 492 O22 PC3 C 20 -4.339 8.771 3.408 1.00 0.00 C ATOM 493 O23 PC3 C 20 5.668 10.509 -0.068 1.00 0.00 C ATOM 494 O3 PC3 C 20 -5.184 10.694 4.061 1.00 0.00 C ATOM 495 O4 PC3 C 20 4.412 11.044 1.639 1.00 0.00 C ATOM 496 O5 PC3 C 20 1.353 4.063 -4.566 1.00 0.00 C ATOM 497 O6 PC3 C 20 2.042 3.215 -6.455 1.00 0.00 C END
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