NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype |
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655413 |
6y1q   |
34491 | cing | 3-converted-DOCR | XPLOR/CNS | coordinate | ensemble |
ATOM 1 C PRO A 2 7.354 0.280 0.259 1.00 0.00 A ATOM 2 CA PRO A 2 8.811 -0.096 0.542 1.00 0.00 A ATOM 3 CB PRO A 2 9.743 1.036 0.122 1.00 0.00 A ATOM 4 CD PRO A 2 9.719 -0.676 -1.605 1.00 0.00 A ATOM 5 CG PRO A 2 10.039 0.780 -1.327 1.00 0.00 A ATOM 6 HA PRO A 2 8.941 -0.308 1.592 1.00 0.00 A ATOM 7 HB2 PRO A 2 9.243 1.985 0.263 1.00 0.00 A ATOM 8 HB1 PRO A 2 10.642 1.006 0.719 1.00 0.00 A ATOM 9 HD2 PRO A 2 8.924 -0.755 -2.333 1.00 0.00 A ATOM 10 HD1 PRO A 2 10.601 -1.196 -1.952 1.00 0.00 A ATOM 11 HG2 PRO A 2 9.420 1.418 -1.941 1.00 0.00 A ATOM 12 HG1 PRO A 2 11.082 0.976 -1.524 1.00 0.00 A ATOM 13 N PRO A 2 9.284 -1.192 -0.298 1.00 0.00 A ATOM 14 O PRO A 2 6.829 1.237 0.828 1.00 0.00 A ATOM 15 C CYS A 3 4.429 -1.351 -0.521 1.00 0.00 A ATOM 16 CA CYS A 3 5.329 -0.215 -0.998 1.00 0.00 A ATOM 17 CB CYS A 3 5.199 -0.056 -2.513 1.00 0.00 A ATOM 18 HN CYS A 3 7.193 -1.208 -1.066 1.00 0.00 A ATOM 19 HA CYS A 3 5.024 0.705 -0.522 1.00 0.00 A ATOM 20 HB2 CYS A 3 5.574 -0.948 -2.993 1.00 0.00 A ATOM 21 HB1 CYS A 3 4.158 0.074 -2.768 1.00 0.00 A ATOM 22 N CYS A 3 6.715 -0.468 -0.634 1.00 0.00 A ATOM 23 O CYS A 3 4.608 -2.503 -0.921 1.00 0.00 A ATOM 24 SG CYS A 3 6.119 1.361 -3.193 1.00 0.00 A ATOM 25 C LYS A 4 1.109 -1.645 0.501 1.00 0.00 A ATOM 26 CA LYS A 4 2.541 -2.021 0.846 1.00 0.00 A ATOM 27 CB LYS A 4 2.696 -2.157 2.369 1.00 0.00 A ATOM 28 CD LYS A 4 1.516 -4.408 2.479 1.00 0.00 A ATOM 29 CE LYS A 4 2.746 -5.239 2.805 1.00 0.00 A ATOM 30 CG LYS A 4 1.611 -2.995 3.043 1.00 0.00 A ATOM 31 HN LYS A 4 3.365 -0.092 0.614 1.00 0.00 A ATOM 32 HA LYS A 4 2.776 -2.968 0.383 1.00 0.00 A ATOM 33 HB2 LYS A 4 3.654 -2.609 2.583 1.00 0.00 A ATOM 34 HB1 LYS A 4 2.671 -1.169 2.806 1.00 0.00 A ATOM 35 HD2 LYS A 4 0.650 -4.893 2.901 1.00 0.00 A ATOM 36 HD1 LYS A 4 1.409 -4.350 1.405 1.00 0.00 A ATOM 37 HE2 LYS A 4 3.611 -4.775 2.356 1.00 0.00 A ATOM 38 HE1 LYS A 4 2.869 -5.273 3.877 1.00 0.00 A ATOM 39 HG2 LYS A 4 1.828 -3.059 4.098 1.00 0.00 A ATOM 40 HG1 LYS A 4 0.659 -2.501 2.905 1.00 0.00 A ATOM 41 HZ1 LYS A 4 3.491 -7.160 2.475 1.00 0.00 A ATOM 42 HZ2 LYS A 4 2.442 -6.611 1.265 1.00 0.00 A ATOM 43 HZ3 LYS A 4 1.819 -7.109 2.759 1.00 0.00 A ATOM 44 N LYS A 4 3.466 -1.028 0.330 1.00 0.00 A ATOM 45 NZ LYS A 4 2.616 -6.624 2.289 1.00 0.00 A ATOM 46 O LYS A 4 0.648 -0.550 0.832 1.00 0.00 A ATOM 47 C ASN A 5 -1.759 -3.406 0.475 1.00 0.00 A ATOM 48 CA ASN A 5 -1.015 -2.379 -0.381 1.00 0.00 A ATOM 49 CB ASN A 5 -1.370 -2.614 -1.855 1.00 0.00 A ATOM 50 CG ASN A 5 -0.634 -1.699 -2.820 1.00 0.00 A ATOM 51 HN ASN A 5 0.857 -3.353 -0.507 1.00 0.00 A ATOM 52 HA ASN A 5 -1.288 -1.375 -0.097 1.00 0.00 A ATOM 53 HB2 ASN A 5 -1.129 -3.631 -2.109 1.00 0.00 A ATOM 54 HB1 ASN A 5 -2.432 -2.462 -1.986 1.00 0.00 A ATOM 55 HD21 ASN A 5 -2.131 -0.396 -2.766 1.00 0.00 A ATOM 56 HD22 ASN A 5 -0.803 0.024 -3.789 1.00 0.00 A ATOM 57 N ASN A 5 0.408 -2.552 -0.161 1.00 0.00 A ATOM 58 ND2 ASN A 5 -1.246 -0.577 -3.156 1.00 0.00 A ATOM 59 O ASN A 5 -1.682 -4.605 0.208 1.00 0.00 A ATOM 60 OD1 ASN A 5 0.470 -2.011 -3.274 1.00 0.00 A ATOM 61 C O6h A 6 -4.449 -4.383 1.681 1.00 0.00 A ATOM 62 CA O6h A 6 -3.208 -3.849 2.381 1.00 0.00 A ATOM 63 CB O6h A 6 -3.599 -3.161 3.692 1.00 0.00 A ATOM 64 CD1 O6h A 6 -1.743 -3.632 5.343 1.00 0.00 A ATOM 65 CD2 O6h A 6 -1.974 -1.416 4.504 1.00 0.00 A ATOM 66 CE1 O6h A 6 -0.661 -3.234 6.109 1.00 0.00 A ATOM 67 CE2 O6h A 6 -0.896 -1.006 5.263 1.00 0.00 A ATOM 68 CF1 O6h A 6 -2.188 -5.063 5.403 1.00 0.00 A ATOM 69 CF2 O6h A 6 -2.675 -0.416 3.640 1.00 0.00 A ATOM 70 CG O6h A 6 -2.418 -2.730 4.527 1.00 0.00 A ATOM 71 CH O6h A 6 0.924 -1.476 6.888 1.00 0.00 A ATOM 72 CZ O6h A 6 -0.245 -1.919 6.062 1.00 0.00 A ATOM 73 H1 O6h A 6 -2.418 -1.997 1.741 1.00 0.00 A ATOM 74 HA O6h A 6 -2.570 -4.688 2.616 1.00 0.00 A ATOM 75 HB1 O6h A 6 -4.194 -3.842 4.283 1.00 0.00 A ATOM 76 HB2 O6h A 6 -4.185 -2.282 3.467 1.00 0.00 A ATOM 77 HE1 O6h A 6 -0.147 -3.946 6.737 1.00 0.00 A ATOM 78 HE2 O6h A 6 -0.566 0.023 5.229 1.00 0.00 A ATOM 79 HF11 O6h A 6 -3.255 -5.175 5.527 1.00 0.00 A ATOM 80 HF12 O6h A 6 -1.747 -5.615 6.220 1.00 0.00 A ATOM 81 HF13 O6h A 6 -1.944 -5.625 4.514 1.00 0.00 A ATOM 82 HF21 O6h A 6 -2.772 0.554 4.102 1.00 0.00 A ATOM 83 HF22 O6h A 6 -2.174 -0.237 2.701 1.00 0.00 A ATOM 84 HF23 O6h A 6 -3.681 -0.709 3.377 1.00 0.00 A ATOM 85 HH1 O6h A 6 0.741 -1.528 7.950 1.00 0.00 A ATOM 86 HH2 O6h A 6 1.219 -0.454 6.699 1.00 0.00 A ATOM 87 HH3 O6h A 6 1.814 -2.065 6.722 1.00 0.00 A ATOM 88 N O6h A 6 -2.441 -2.950 1.525 1.00 0.00 A ATOM 89 O O6h A 6 -4.820 -5.543 1.847 1.00 0.00 A ATOM 90 C PHE A 7 -6.381 -4.008 -1.129 1.00 0.00 A ATOM 91 CA PHE A 7 -6.424 -3.835 0.384 1.00 0.00 A ATOM 92 CB PHE A 7 -7.423 -2.736 0.759 1.00 0.00 A ATOM 93 CD1 PHE A 7 -7.625 -3.113 3.237 1.00 0.00 A ATOM 94 CD2 PHE A 7 -6.806 -1.007 2.471 1.00 0.00 A ATOM 95 CE1 PHE A 7 -7.483 -2.693 4.546 1.00 0.00 A ATOM 96 CE2 PHE A 7 -6.666 -0.582 3.777 1.00 0.00 A ATOM 97 CG PHE A 7 -7.288 -2.275 2.185 1.00 0.00 A ATOM 98 CZ PHE A 7 -7.002 -1.426 4.815 1.00 0.00 A ATOM 99 HN PHE A 7 -4.711 -2.645 0.736 1.00 0.00 A ATOM 100 HA PHE A 7 -6.746 -4.763 0.829 1.00 0.00 A ATOM 101 HB2 PHE A 7 -7.268 -1.881 0.117 1.00 0.00 A ATOM 102 HB1 PHE A 7 -8.427 -3.108 0.623 1.00 0.00 A ATOM 103 HD1 PHE A 7 -8.000 -4.105 3.028 1.00 0.00 A ATOM 104 HD2 PHE A 7 -6.543 -0.344 1.661 1.00 0.00 A ATOM 105 HE1 PHE A 7 -7.748 -3.354 5.358 1.00 0.00 A ATOM 106 HE2 PHE A 7 -6.292 0.410 3.987 1.00 0.00 A ATOM 107 HZ PHE A 7 -6.887 -1.096 5.836 1.00 0.00 A ATOM 108 N PHE A 7 -5.111 -3.516 0.926 1.00 0.00 A ATOM 109 O PHE A 7 -7.286 -4.596 -1.720 1.00 0.00 A ATOM 110 C DTR A 8 -4.958 -2.149 -3.793 1.00 0.00 A ATOM 111 CA DTR A 8 -5.250 -3.531 -3.208 1.00 0.00 A ATOM 112 CB DTR A 8 -4.179 -4.533 -3.655 1.00 0.00 A ATOM 113 CD1 DTR A 8 -4.954 -5.712 -5.792 1.00 0.00 A ATOM 114 CD2 DTR A 8 -3.486 -4.055 -6.139 1.00 0.00 A ATOM 115 CE2 DTR A 8 -3.842 -4.610 -7.382 1.00 0.00 A ATOM 116 CE3 DTR A 8 -2.573 -2.994 -6.111 1.00 0.00 A ATOM 117 CG DTR A 8 -4.209 -4.775 -5.133 1.00 0.00 A ATOM 118 CH2 DTR A 8 -2.430 -3.101 -8.526 1.00 0.00 A ATOM 119 CZ2 DTR A 8 -3.319 -4.139 -8.583 1.00 0.00 A ATOM 120 CZ3 DTR A 8 -2.055 -2.530 -7.304 1.00 0.00 A ATOM 121 H DTR A 8 -4.642 -3.037 -1.249 1.00 0.00 A ATOM 122 HA DTR A 8 -6.187 -3.911 -3.589 1.00 0.00 A ATOM 123 HB2 DTR A 8 -3.201 -4.152 -3.395 1.00 0.00 A ATOM 124 HB3 DTR A 8 -4.341 -5.476 -3.156 1.00 0.00 A ATOM 125 HD1 DTR A 8 -5.614 -6.416 -5.307 1.00 0.00 A ATOM 126 HE1 DTR A 8 -5.162 -6.188 -7.832 1.00 0.00 A ATOM 127 HE3 DTR A 8 -2.271 -2.541 -5.178 1.00 0.00 A ATOM 128 HH2 DTR A 8 -1.998 -2.708 -9.435 1.00 0.00 A ATOM 129 HZ2 DTR A 8 -3.602 -4.566 -9.532 1.00 0.00 A ATOM 130 HZ3 DTR A 8 -1.348 -1.713 -7.302 1.00 0.00 A ATOM 131 N DTR A 8 -5.348 -3.474 -1.761 1.00 0.00 A ATOM 132 NE1 DTR A 8 -4.739 -5.617 -7.144 1.00 0.00 A ATOM 133 O DTR A 8 -4.059 -1.459 -3.316 1.00 0.00 A ATOM 134 C LYS A 9 -6.149 0.692 -4.828 1.00 0.00 A ATOM 135 CA LYS A 9 -5.432 -0.473 -5.495 1.00 0.00 A ATOM 136 CB LYS A 9 -5.814 -0.557 -6.983 1.00 0.00 A ATOM 137 CD LYS A 9 -7.779 -2.153 -7.057 1.00 0.00 A ATOM 138 CE LYS A 9 -7.213 -3.085 -8.116 1.00 0.00 A ATOM 139 CG LYS A 9 -7.308 -0.717 -7.250 1.00 0.00 A ATOM 140 HN LYS A 9 -6.506 -2.250 -5.080 1.00 0.00 A ATOM 141 HA LYS A 9 -4.368 -0.305 -5.420 1.00 0.00 A ATOM 142 HB2 LYS A 9 -5.483 0.346 -7.474 1.00 0.00 A ATOM 143 HB1 LYS A 9 -5.301 -1.400 -7.423 1.00 0.00 A ATOM 144 HD2 LYS A 9 -7.458 -2.498 -6.085 1.00 0.00 A ATOM 145 HD1 LYS A 9 -8.857 -2.178 -7.110 1.00 0.00 A ATOM 146 HE2 LYS A 9 -6.136 -3.000 -8.114 1.00 0.00 A ATOM 147 HE1 LYS A 9 -7.492 -4.099 -7.870 1.00 0.00 A ATOM 148 HG2 LYS A 9 -7.849 -0.082 -6.571 1.00 0.00 A ATOM 149 HG1 LYS A 9 -7.512 -0.414 -8.267 1.00 0.00 A ATOM 150 HZ1 LYS A 9 -8.766 -2.768 -9.480 1.00 0.00 A ATOM 151 HZ2 LYS A 9 -7.380 -3.461 -10.164 1.00 0.00 A ATOM 152 HZ3 LYS A 9 -7.392 -1.813 -9.770 1.00 0.00 A ATOM 153 N LYS A 9 -5.725 -1.723 -4.802 1.00 0.00 A ATOM 154 NZ LYS A 9 -7.722 -2.758 -9.475 1.00 0.00 A ATOM 155 O LYS A 9 -6.025 1.842 -5.251 1.00 0.00 A ATOM 156 C THR A 10 -6.662 2.138 -2.061 1.00 0.00 A ATOM 157 CA THR A 10 -7.602 1.402 -3.023 1.00 0.00 A ATOM 158 CB THR A 10 -8.753 0.762 -2.225 1.00 0.00 A ATOM 159 CG2 THR A 10 -9.760 1.810 -1.772 1.00 0.00 A ATOM 160 HN THR A 10 -6.985 -0.556 -3.517 1.00 0.00 A ATOM 161 HA THR A 10 -8.022 2.110 -3.724 1.00 0.00 A ATOM 162 HB THR A 10 -8.342 0.275 -1.351 1.00 0.00 A ATOM 163 HG1 THR A 10 -9.928 0.228 -3.731 1.00 0.00 A ATOM 164 HG21 THR A 10 -10.180 2.303 -2.638 1.00 0.00 A ATOM 165 HG22 THR A 10 -9.264 2.540 -1.149 1.00 0.00 A ATOM 166 HG23 THR A 10 -10.549 1.334 -1.210 1.00 0.00 A ATOM 167 N THR A 10 -6.886 0.386 -3.773 1.00 0.00 A ATOM 168 O THR A 10 -6.862 3.315 -1.763 1.00 0.00 A ATOM 169 OG1 THR A 10 -9.413 -0.218 -3.041 1.00 0.00 A ATOM 170 C PHE A 11 -3.226 1.793 -1.176 1.00 0.00 A ATOM 171 CA PHE A 11 -4.673 2.034 -0.667 1.00 0.00 A ATOM 172 CB PHE A 11 -4.831 1.380 0.712 1.00 0.00 A ATOM 173 CD1 PHE A 11 -2.784 2.376 1.790 1.00 0.00 A ATOM 174 CD2 PHE A 11 -4.872 2.566 2.923 1.00 0.00 A ATOM 175 CE1 PHE A 11 -2.158 3.048 2.819 1.00 0.00 A ATOM 176 CE2 PHE A 11 -4.250 3.240 3.955 1.00 0.00 A ATOM 177 CG PHE A 11 -4.148 2.126 1.828 1.00 0.00 A ATOM 178 CZ PHE A 11 -2.892 3.480 3.902 1.00 0.00 A ATOM 179 HN PHE A 11 -5.485 0.529 -1.897 1.00 0.00 A ATOM 180 HA PHE A 11 -4.903 3.085 -0.572 1.00 0.00 A ATOM 181 HB2 PHE A 11 -5.880 1.314 0.953 1.00 0.00 A ATOM 182 HB1 PHE A 11 -4.413 0.384 0.676 1.00 0.00 A ATOM 183 HD1 PHE A 11 -2.209 2.039 0.940 1.00 0.00 A ATOM 184 HD2 PHE A 11 -5.936 2.381 2.966 1.00 0.00 A ATOM 185 HE1 PHE A 11 -1.096 3.235 2.775 1.00 0.00 A ATOM 186 HE2 PHE A 11 -4.826 3.578 4.804 1.00 0.00 A ATOM 187 HZ PHE A 11 -2.404 4.003 4.708 1.00 0.00 A ATOM 188 N PHE A 11 -5.625 1.447 -1.596 1.00 0.00 A ATOM 189 O PHE A 11 -2.785 0.643 -1.168 1.00 0.00 A ATOM 190 C THR A 12 -0.205 3.407 -0.976 1.00 0.00 A ATOM 191 CA THR A 12 -1.082 2.645 -1.966 1.00 0.00 A ATOM 192 CB THR A 12 -0.788 3.130 -3.402 1.00 0.00 A ATOM 193 CG2 THR A 12 0.700 3.049 -3.727 1.00 0.00 A ATOM 194 HN THR A 12 -2.884 3.700 -1.807 1.00 0.00 A ATOM 195 HA THR A 12 -0.852 1.591 -1.908 1.00 0.00 A ATOM 196 HB THR A 12 -1.102 4.162 -3.483 1.00 0.00 A ATOM 197 HG1 THR A 12 -2.430 2.709 -4.417 1.00 0.00 A ATOM 198 HG21 THR A 12 0.859 3.329 -4.758 1.00 0.00 A ATOM 199 HG22 THR A 12 1.051 2.042 -3.567 1.00 0.00 A ATOM 200 HG23 THR A 12 1.244 3.726 -3.086 1.00 0.00 A ATOM 201 N THR A 12 -2.487 2.822 -1.638 1.00 0.00 A ATOM 202 O THR A 12 -0.384 4.611 -0.780 1.00 0.00 A ATOM 203 OG1 THR A 12 -1.535 2.344 -4.338 1.00 0.00 A ATOM 204 C SER A 13 3.085 3.003 0.238 1.00 0.00 A ATOM 205 CA SER A 13 1.633 3.338 0.599 1.00 0.00 A ATOM 206 CB SER A 13 1.323 2.888 2.031 1.00 0.00 A ATOM 207 HN SER A 13 0.787 1.740 -0.491 1.00 0.00 A ATOM 208 HA SER A 13 1.485 4.405 0.530 1.00 0.00 A ATOM 209 HB2 SER A 13 0.296 3.128 2.265 1.00 0.00 A ATOM 210 HB1 SER A 13 1.468 1.822 2.109 1.00 0.00 A ATOM 211 HG SER A 13 2.040 4.491 2.925 1.00 0.00 A ATOM 212 N SER A 13 0.720 2.705 -0.336 1.00 0.00 A ATOM 213 O SER A 13 3.511 1.852 0.354 1.00 0.00 A ATOM 214 OG SER A 13 2.163 3.534 2.976 1.00 0.00 A ATOM 215 C CYS A 14 6.007 4.864 0.355 1.00 0.00 A ATOM 216 CA CYS A 14 5.246 3.855 -0.491 1.00 0.00 A ATOM 217 CB CYS A 14 5.569 4.078 -1.971 1.00 0.00 A ATOM 218 HN CYS A 14 3.395 4.861 -0.448 1.00 0.00 A ATOM 219 HA CYS A 14 5.541 2.857 -0.205 1.00 0.00 A ATOM 220 HB2 CYS A 14 5.241 5.066 -2.257 1.00 0.00 A ATOM 221 HB1 CYS A 14 6.639 4.007 -2.110 1.00 0.00 A ATOM 222 N CYS A 14 3.822 3.999 -0.244 1.00 0.00 A ATOM 223 O CYS A 14 5.849 6.073 0.177 1.00 0.00 A ATOM 224 SG CYS A 14 4.784 2.889 -3.106 1.00 0.00 A ATOM 225 C LYS A 15 8.961 4.669 2.412 1.00 0.00 A ATOM 226 CA LYS A 15 7.578 5.249 2.151 1.00 0.00 A ATOM 227 CB LYS A 15 6.846 5.495 3.476 1.00 0.00 A ATOM 228 CD LYS A 15 7.964 7.720 3.750 1.00 0.00 A ATOM 229 CE LYS A 15 9.294 8.266 4.245 1.00 0.00 A ATOM 230 CG LYS A 15 7.622 6.399 4.418 1.00 0.00 A ATOM 231 HN LYS A 15 6.899 3.401 1.384 1.00 0.00 A ATOM 232 HA LYS A 15 7.695 6.192 1.639 1.00 0.00 A ATOM 233 HB2 LYS A 15 5.891 5.954 3.271 1.00 0.00 A ATOM 234 HB1 LYS A 15 6.685 4.548 3.971 1.00 0.00 A ATOM 235 HD2 LYS A 15 8.021 7.568 2.682 1.00 0.00 A ATOM 236 HD1 LYS A 15 7.186 8.434 3.973 1.00 0.00 A ATOM 237 HE2 LYS A 15 9.534 9.158 3.686 1.00 0.00 A ATOM 238 HE1 LYS A 15 9.201 8.511 5.293 1.00 0.00 A ATOM 239 HG2 LYS A 15 7.021 6.593 5.294 1.00 0.00 A ATOM 240 HG1 LYS A 15 8.537 5.904 4.707 1.00 0.00 A ATOM 241 HZ1 LYS A 15 10.373 6.582 4.852 1.00 0.00 A ATOM 242 HZ2 LYS A 15 11.321 7.756 4.077 1.00 0.00 A ATOM 243 HZ3 LYS A 15 10.284 6.766 3.169 1.00 0.00 A ATOM 244 N LYS A 15 6.812 4.374 1.283 1.00 0.00 A ATOM 245 NZ LYS A 15 10.394 7.276 4.074 1.00 0.00 A ATOM 246 OT1 LYS A 15 9.048 3.544 2.943 1.00 0.00 A ATOM 247 OT2 LYS A 15 9.960 5.357 2.105 1.00 0.00 A TER ATOM 248 C1 Oca B 101 9.365 -2.486 0.099 1.00 0.00 B ATOM 249 C2 Oca B 101 8.975 -2.636 1.564 1.00 0.00 B ATOM 250 C3 Oca B 101 7.490 -2.905 1.761 1.00 0.00 B ATOM 251 C4 Oca B 101 7.202 -3.383 3.175 1.00 0.00 B ATOM 252 C5 Oca B 101 5.979 -2.702 3.766 1.00 0.00 B ATOM 253 C6 Oca B 101 6.210 -1.212 3.965 1.00 0.00 B ATOM 254 C7 Oca B 101 5.451 -0.679 5.172 1.00 0.00 B ATOM 255 C8 Oca B 101 5.945 -1.290 6.465 1.00 0.00 B ATOM 256 H21 Oca B 101 9.234 -1.725 2.084 1.00 0.00 B ATOM 257 H22 Oca B 101 9.533 -3.458 1.984 1.00 0.00 B ATOM 258 H31 Oca B 101 7.175 -3.666 1.063 1.00 0.00 B ATOM 259 H32 Oca B 101 6.940 -1.993 1.579 1.00 0.00 B ATOM 260 H41 Oca B 101 7.031 -4.449 3.155 1.00 0.00 B ATOM 261 H42 Oca B 101 8.057 -3.165 3.797 1.00 0.00 B ATOM 262 H51 Oca B 101 5.143 -2.842 3.098 1.00 0.00 B ATOM 263 H52 Oca B 101 5.757 -3.151 4.723 1.00 0.00 B ATOM 264 H61 Oca B 101 7.265 -1.040 4.111 1.00 0.00 B ATOM 265 H62 Oca B 101 5.877 -0.686 3.082 1.00 0.00 B ATOM 266 H71 Oca B 101 5.585 0.391 5.230 1.00 0.00 B ATOM 267 H72 Oca B 101 4.402 -0.912 5.064 1.00 0.00 B ATOM 268 H81 Oca B 101 5.111 -1.716 7.005 1.00 0.00 B ATOM 269 H82 Oca B 101 6.413 -0.526 7.068 1.00 0.00 B ATOM 270 H83 Oca B 101 6.664 -2.066 6.245 1.00 0.00 B ATOM 271 O1 Oca B 101 9.658 -3.433 -0.633 1.00 0.00 B END
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