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- .gitattributes +46 -0
- 5v3h_ligand_native_745/MCpath1.xyz +8 -0
- 5v3h_ligand_native_745/MCpath10.xyz +265 -0
- 5v3h_ligand_native_745/MCpath11.xyz +6 -0
- 5v3h_ligand_native_745/MCpath13.xyz +2874 -0
- 5v3h_ligand_native_745/MCpath14.xyz +491 -0
- 5v3h_ligand_native_745/MCpath15.xyz +676 -0
- 5v3h_ligand_native_745/MCpath16.xyz +522 -0
- 5v3h_ligand_native_745/MCpath17.xyz +573 -0
- 5v3h_ligand_native_745/MCpath18.xyz +882 -0
- 5v3h_ligand_native_745/MCpath19.xyz +189 -0
- 5v3h_ligand_native_745/MCpath2.xyz +5 -0
- 5v3h_ligand_native_745/MCpath20.xyz +8 -0
- 5v3h_ligand_native_745/MCpath21.xyz +444 -0
- 5v3h_ligand_native_745/MCpath22.xyz +1119 -0
- 5v3h_ligand_native_745/MCpath23.xyz +41 -0
- 5v3h_ligand_native_745/MCpath24.xyz +603 -0
- 5v3h_ligand_native_745/MCpath25.xyz +395 -0
- 5v3h_ligand_native_745/MCpath26.xyz +788 -0
- 5v3h_ligand_native_745/MCpath27.xyz +0 -0
- 5v3h_ligand_native_745/MCpath28.xyz +459 -0
- 5v3h_ligand_native_745/MCpath3.xyz +555 -0
- 5v3h_ligand_native_745/MCpath30.xyz +261 -0
- 5v3h_ligand_native_745/MCpath31.xyz +240 -0
- 5v3h_ligand_native_745/MCpath33.xyz +1130 -0
- 5v3h_ligand_native_745/MCpath34.xyz +40 -0
- 5v3h_ligand_native_745/MCpath35.xyz +8 -0
- 5v3h_ligand_native_745/MCpath36.xyz +42 -0
- 5v3h_ligand_native_745/MCpath37.xyz +817 -0
- 5v3h_ligand_native_745/MCpath38.xyz +638 -0
- 5v3h_ligand_native_745/MCpath39.xyz +732 -0
- 5v3h_ligand_native_745/MCpath4.xyz +582 -0
- 5v3h_ligand_native_745/MCpath40.xyz +330 -0
- 5v3h_ligand_native_745/MCpath41.xyz +784 -0
- 5v3h_ligand_native_745/MCpath42.xyz +288 -0
- 5v3h_ligand_native_745/MCpath43.xyz +6 -0
- 5v3h_ligand_native_745/MCpath44.xyz +165 -0
- 5v3h_ligand_native_745/MCpath45.xyz +119 -0
- 5v3h_ligand_native_745/MCpath46.xyz +1305 -0
- 5v3h_ligand_native_745/MCpath48.xyz +428 -0
- 5v3h_ligand_native_745/MCpath49.xyz +334 -0
- 5v3h_ligand_native_745/MCpath5.xyz +777 -0
- 5v3h_ligand_native_745/MCpath50.xyz +559 -0
- 5v3h_ligand_native_745/MCpath6.xyz +7 -0
- 5v3h_ligand_native_745/MCpath7.xyz +268 -0
- 5v3h_ligand_native_745/MCpath8.xyz +167 -0
- 5v3h_ligand_native_745/MCpath9.xyz +468 -0
- 5v3h_ligand_native_745/Pro_lig1.h5md +3 -0
- 5v3h_ligand_native_745/Pro_lig10.h5md +3 -0
- 5v3h_ligand_native_745/Pro_lig11.h5md +3 -0
.gitattributes
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5oci_ligand_54_553_dock/Pro_lig39.h5md filter=lfs diff=lfs merge=lfs -text
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5oci_ligand_54_553_dock/Pro_lig46.h5md filter=lfs diff=lfs merge=lfs -text
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5oci_ligand_54_553_dock/Pro_lig39.h5md filter=lfs diff=lfs merge=lfs -text
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5oci_ligand_54_553_dock/Pro_lig46.h5md filter=lfs diff=lfs merge=lfs -text
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5oci_ligand_54_553_dock/Pro_lig48.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig1.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig10.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig28.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig3.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig31.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig33.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig34.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig35.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig36.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig37.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig38.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig39.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig4.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig40.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig41.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig42.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig43.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig44.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig45.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig46.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig48.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig49.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig5.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig50.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig6.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig7.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig8.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/Pro_lig9.h5md filter=lfs diff=lfs merge=lfs -text
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5v3h_ligand_native_745/MCpath1.xyz
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S 54.2143 53.0697 54.4296
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S 54.2433 52.9570 54.4015
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S 54.2162 52.9678 54.4002
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S 54.2096 52.9709 54.4143
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S 54.1894 52.9384 54.4643
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5v3h_ligand_native_745/MCpath10.xyz
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| 51 |
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S 56.4196 53.4581 54.8222
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| 52 |
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S 56.4130 53.4535 54.8458
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| 53 |
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S 56.3683 53.4528 54.7546
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| 54 |
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| 55 |
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| 56 |
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| 57 |
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| 58 |
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| 59 |
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| 60 |
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| 61 |
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| 62 |
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| 63 |
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| 64 |
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|
| 65 |
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| 66 |
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| 67 |
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| 68 |
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| 69 |
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|
| 70 |
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| 71 |
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| 72 |
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| 73 |
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| 74 |
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| 80 |
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| 83 |
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| 84 |
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| 89 |
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| 90 |
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| 91 |
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| 92 |
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| 93 |
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|
| 94 |
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| 95 |
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| 96 |
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| 97 |
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| 98 |
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| 99 |
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| 100 |
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| 101 |
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| 102 |
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| 103 |
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| 104 |
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| 105 |
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| 106 |
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| 108 |
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| 109 |
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| 110 |
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| 112 |
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| 122 |
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| 123 |
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| 124 |
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| 125 |
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| 126 |
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| 127 |
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| 128 |
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| 129 |
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| 130 |
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| 132 |
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| 133 |
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| 134 |
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| 136 |
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| 142 |
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| 143 |
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| 144 |
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| 145 |
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| 146 |
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| 153 |
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| 154 |
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| 155 |
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| 156 |
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| 157 |
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| 158 |
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| 159 |
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| 160 |
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| 162 |
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| 163 |
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| 164 |
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| 165 |
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| 166 |
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| 167 |
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| 169 |
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| 170 |
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| 171 |
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| 172 |
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| 173 |
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| 174 |
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| 175 |
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| 176 |
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| 177 |
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| 178 |
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| 179 |
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| 180 |
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| 181 |
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| 182 |
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|
| 183 |
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|
| 184 |
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|
| 185 |
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|
| 186 |
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|
| 187 |
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| 188 |
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|
| 189 |
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|
| 190 |
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| 191 |
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|
| 192 |
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|
| 193 |
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|
| 194 |
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|
| 195 |
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|
| 196 |
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| 197 |
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| 198 |
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| 199 |
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| 200 |
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| 201 |
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| 202 |
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| 203 |
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| 204 |
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| 205 |
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| 206 |
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| 212 |
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| 213 |
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| 214 |
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| 215 |
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|
| 216 |
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| 217 |
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| 218 |
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| 219 |
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| 220 |
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| 221 |
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| 222 |
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|
| 223 |
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|
| 224 |
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|
| 225 |
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|
| 226 |
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|
| 227 |
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|
| 228 |
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S 61.4936 50.3276 58.4668
|
| 229 |
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S 61.5298 50.4885 58.3579
|
| 230 |
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S 61.5284 50.5679 58.2106
|
| 231 |
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S 61.5004 50.6522 58.1415
|
| 232 |
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S 61.3925 50.7520 58.0879
|
| 233 |
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S 61.3917 50.8094 58.0810
|
| 234 |
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S 61.3401 50.8918 58.1054
|
| 235 |
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|
| 236 |
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|
| 237 |
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|
| 238 |
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S 61.1783 50.5549 57.3946
|
| 239 |
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|
| 240 |
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|
| 241 |
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|
| 242 |
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S 61.8412 50.0980 56.3157
|
| 243 |
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S 61.7892 50.2081 56.1323
|
| 244 |
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S 61.6250 50.2967 56.1772
|
| 245 |
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S 61.5114 50.2880 56.2382
|
| 246 |
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S 61.4596 50.2626 56.2037
|
| 247 |
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S 61.4186 50.1875 56.1703
|
| 248 |
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S 61.4051 50.0660 56.2065
|
| 249 |
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S 61.3640 49.9284 56.1122
|
| 250 |
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S 61.2886 49.8473 56.1884
|
| 251 |
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S 61.2940 49.7663 56.3279
|
| 252 |
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S 61.3507 49.7599 56.5183
|
| 253 |
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S 61.5330 49.7895 56.6149
|
| 254 |
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S 61.6589 49.7008 56.6207
|
| 255 |
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S 61.7053 49.6858 56.6676
|
| 256 |
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S 61.7048 49.6934 56.7942
|
| 257 |
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S 61.6945 49.6011 56.8459
|
| 258 |
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S 61.6529 49.4158 56.8418
|
| 259 |
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S 61.6473 49.3849 56.8016
|
| 260 |
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S 61.7128 49.4353 56.7503
|
| 261 |
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S 61.6382 49.5170 56.8495
|
| 262 |
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S 61.5011 49.4678 56.9866
|
| 263 |
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S 61.4878 49.2482 57.1201
|
| 264 |
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S 61.4664 49.0692 57.3409
|
| 265 |
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S 61.4821 48.9289 57.5889
|
5v3h_ligand_native_745/MCpath11.xyz
ADDED
|
@@ -0,0 +1,6 @@
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+
4
|
| 2 |
+
4
|
| 3 |
+
S 54.3232 53.0326 54.5079
|
| 4 |
+
S 54.3430 53.0757 54.4243
|
| 5 |
+
S 54.3967 53.0305 54.3956
|
| 6 |
+
S 54.4353 52.8906 54.3081
|
5v3h_ligand_native_745/MCpath13.xyz
ADDED
|
@@ -0,0 +1,2874 @@
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|
| 1 |
+
2872
|
| 2 |
+
2872
|
| 3 |
+
S 54.1254 52.9980 54.2828
|
| 4 |
+
S 54.1021 53.0019 54.2160
|
| 5 |
+
S 54.1298 53.0505 54.1709
|
| 6 |
+
S 54.2424 53.0782 54.1270
|
| 7 |
+
S 54.2874 53.1264 54.1172
|
| 8 |
+
S 54.2844 53.1910 54.1677
|
| 9 |
+
S 54.3331 53.2213 54.1040
|
| 10 |
+
S 54.3041 53.2903 54.1334
|
| 11 |
+
S 54.3702 53.2388 54.1754
|
| 12 |
+
S 54.4158 53.1678 54.2394
|
| 13 |
+
S 54.4352 53.0679 54.3280
|
| 14 |
+
S 54.4048 53.0764 54.3547
|
| 15 |
+
S 54.3052 53.1029 54.3501
|
| 16 |
+
S 54.2594 53.0878 54.3493
|
| 17 |
+
S 54.3560 53.1301 54.4442
|
| 18 |
+
S 54.4194 53.2004 54.5094
|
| 19 |
+
S 54.4953 53.2217 54.4938
|
| 20 |
+
S 54.5816 53.1884 54.4895
|
| 21 |
+
S 54.6564 53.2114 54.5042
|
| 22 |
+
S 54.7276 53.2854 54.4896
|
| 23 |
+
S 54.7424 53.3012 54.5217
|
| 24 |
+
S 54.7336 53.2679 54.4913
|
| 25 |
+
S 54.7137 53.3454 54.4254
|
| 26 |
+
S 54.6817 53.3616 54.4196
|
| 27 |
+
S 54.5288 53.4442 54.3710
|
| 28 |
+
S 54.4087 53.5233 54.4250
|
| 29 |
+
S 54.2745 53.5347 54.3667
|
| 30 |
+
S 54.1179 53.4740 54.4064
|
| 31 |
+
S 54.0355 53.3482 54.4226
|
| 32 |
+
S 54.0206 53.3351 54.4226
|
| 33 |
+
S 54.1250 53.3536 54.4881
|
| 34 |
+
S 54.2930 53.3551 54.5224
|
| 35 |
+
S 54.5256 53.4095 54.5428
|
| 36 |
+
S 54.6424 53.4694 54.5029
|
| 37 |
+
S 54.7432 53.4097 54.4825
|
| 38 |
+
S 54.8660 53.4542 54.4963
|
| 39 |
+
S 54.8843 53.5791 54.4226
|
| 40 |
+
S 54.8182 53.5452 54.3944
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| 1580 |
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S 51.3000 51.5934 59.7851
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| 1581 |
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S 51.3581 51.6513 59.7975
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| 1582 |
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S 51.3340 51.6935 59.7976
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| 1583 |
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S 51.3611 51.8035 59.7614
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| 1584 |
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S 51.3826 51.8803 59.6543
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| 1585 |
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S 51.2487 51.9232 59.4992
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| 1586 |
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S 51.1970 51.8132 59.4829
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| 1587 |
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S 51.2546 51.7323 59.6170
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| 1588 |
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S 51.3822 51.6407 59.7052
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| 1589 |
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S 51.4960 51.6218 59.7099
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| 1590 |
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S 51.5493 51.7176 59.6136
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| 1591 |
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S 51.5375 51.7688 59.4715
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| 1592 |
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S 51.4935 51.7665 59.4892
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| 1593 |
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S 51.5412 51.7567 59.5037
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S 51.6296 51.6732 59.4521
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| 1595 |
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S 51.6566 51.6044 59.5122
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| 1596 |
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S 51.6054 51.5361 59.5115
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| 1597 |
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S 51.5496 51.4875 59.5701
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| 1598 |
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S 51.5109 51.4389 59.5897
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| 1599 |
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S 51.5195 51.4709 59.6041
|
| 1600 |
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S 51.5039 51.4734 59.5867
|
| 1601 |
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S 51.4283 51.4923 59.5198
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| 1602 |
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S 51.2887 51.5787 59.4199
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| 1603 |
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S 51.2711 51.7040 59.4033
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| 1604 |
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S 51.3633 51.7502 59.3541
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| 1605 |
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S 51.4185 51.7508 59.3602
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| 1606 |
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S 51.5189 51.6850 59.3540
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| 1607 |
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S 51.4766 51.5386 59.3986
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| 1608 |
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S 51.5573 51.4947 59.4572
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| 1609 |
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S 51.5962 51.4478 59.4657
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| 1610 |
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S 51.4856 51.4852 59.4877
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| 1611 |
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S 51.4448 51.4910 59.5307
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| 1612 |
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S 51.4922 51.5322 59.6652
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| 1613 |
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S 51.4665 51.6044 59.7380
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| 1614 |
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S 51.4413 51.6439 59.7527
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S 51.4074 51.6834 59.7320
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S 51.4811 51.6957 59.6392
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S 51.5296 51.6690 59.7148
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S 51.5648 51.6086 59.8365
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S 51.5317 51.4694 59.8139
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| 1620 |
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S 51.5548 51.4166 59.7971
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| 1621 |
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S 51.5830 51.3372 59.7754
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| 1622 |
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S 51.6069 51.3070 59.7774
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| 1623 |
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S 51.6210 51.1995 59.7412
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| 1624 |
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S 51.5566 51.1792 59.6445
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| 1625 |
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S 51.4706 51.3510 59.4735
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| 1626 |
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S 51.4157 51.4438 59.3503
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| 1627 |
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S 51.3744 51.4867 59.2084
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| 1628 |
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S 51.4637 51.3848 59.1684
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| 1629 |
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S 51.5426 51.4272 59.1932
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| 1630 |
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S 51.5953 51.5132 59.2679
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| 1631 |
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S 51.5539 51.5839 59.3663
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| 1632 |
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S 51.5672 51.5962 59.4241
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| 1633 |
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S 51.5659 51.5102 59.4116
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| 1634 |
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S 51.4843 51.5188 59.4681
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| 1635 |
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S 51.3373 51.5491 59.4848
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| 1636 |
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S 51.2049 51.5774 59.4972
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| 1637 |
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S 51.2535 51.6727 59.4160
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| 1638 |
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S 51.2158 51.7089 59.3739
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| 1639 |
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S 51.2461 51.6640 59.3860
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| 1640 |
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S 51.3535 51.6502 59.4811
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| 1641 |
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S 51.3450 51.7188 59.5342
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| 1642 |
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S 51.3749 51.7664 59.4229
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| 1643 |
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S 51.3194 51.6805 59.4332
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| 1644 |
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S 51.2765 51.6841 59.5020
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| 1645 |
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S 51.4072 51.6042 59.5530
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| 1646 |
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S 51.5437 51.6247 59.6181
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| 1647 |
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S 51.5654 51.6150 59.6649
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| 1648 |
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S 51.4544 51.5535 59.7386
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| 1649 |
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S 51.3066 51.5532 59.7942
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| 1650 |
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S 51.3500 51.5588 59.6126
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| 1651 |
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S 51.4507 51.5845 59.5646
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| 1652 |
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S 51.5135 51.6635 59.5320
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| 1653 |
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S 51.5939 51.6264 59.5470
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| 1654 |
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S 51.6760 51.5450 59.6102
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| 1655 |
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S 51.7807 51.5207 59.5189
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S 51.7896 51.5705 59.4441
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S 51.7181 51.4939 59.4460
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S 51.7037 51.4802 59.5657
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| 1659 |
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S 51.6769 51.3387 59.5490
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| 1660 |
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S 51.7184 51.2738 59.5343
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| 1661 |
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S 51.7266 51.2014 59.3961
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S 51.7379 51.2218 59.3244
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| 1663 |
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S 51.7004 51.3200 59.4315
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| 1664 |
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S 51.7729 51.3918 59.5490
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| 1665 |
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S 51.8159 51.4526 59.6718
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| 1666 |
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S 51.8725 51.5239 59.6899
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| 1667 |
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S 51.7168 51.5955 59.6764
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S 51.5148 51.6410 59.6478
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| 1669 |
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S 51.3626 51.6609 59.6699
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| 1670 |
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S 51.2927 51.7253 59.6470
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S 51.3212 51.6740 59.6798
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| 1672 |
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S 51.4183 51.6989 59.7640
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| 1673 |
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S 51.3585 51.6916 59.7898
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S 51.4126 51.6358 59.7754
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S 51.3104 51.5521 59.6807
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S 51.2808 51.4728 59.6162
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S 51.3191 51.4496 59.5776
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| 1678 |
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S 51.4589 51.5329 59.5102
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| 1679 |
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S 51.5690 51.5727 59.5863
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| 1680 |
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S 51.4842 51.5778 59.6415
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| 1681 |
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S 51.2795 51.6239 59.7228
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| 1682 |
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S 51.1952 51.5326 59.6874
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| 1683 |
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S 51.2077 51.4597 59.6507
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| 1684 |
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S 51.3113 51.4097 59.7365
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| 1685 |
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S 51.4354 51.4540 59.7951
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| 1686 |
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S 51.5002 51.4689 59.9087
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| 1687 |
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S 51.5617 51.3318 59.8890
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| 1688 |
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S 51.6343 51.1739 59.7466
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| 1689 |
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S 51.5862 51.1411 59.5716
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| 1690 |
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S 51.5939 51.1677 59.5388
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| 1691 |
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S 51.5526 51.2118 59.6391
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| 1692 |
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S 51.5459 51.2588 59.7174
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| 1693 |
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S 51.5477 51.2732 59.7289
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| 1694 |
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S 51.5009 51.2845 59.6698
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S 51.5074 51.3920 59.4780
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| 1696 |
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S 51.4333 51.4327 59.3307
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| 1697 |
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S 51.4252 51.4866 59.1629
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| 1698 |
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S 51.5040 51.5876 59.2025
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| 1699 |
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S 51.5079 51.5560 59.2563
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| 1700 |
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S 51.6656 51.5180 59.1723
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| 1701 |
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S 51.7197 51.4124 59.0264
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S 51.6586 51.4273 59.1340
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S 51.7029 51.4919 59.3093
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S 51.7794 51.5702 59.4876
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S 51.7875 51.5458 59.5324
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S 51.7422 51.4659 59.5107
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S 51.6110 51.4880 59.5577
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S 51.5642 51.5509 59.5444
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S 51.5929 51.5873 59.5396
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S 51.4809 51.4926 59.5623
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S 51.4654 51.4536 59.4723
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S 51.5448 51.5623 59.4052
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S 51.5521 51.6066 59.4155
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S 51.4721 51.5314 59.4527
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S 51.4268 51.4454 59.4051
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S 51.3342 51.5034 59.3833
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S 51.3091 51.5536 59.3457
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S 51.4448 51.6473 59.2661
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S 51.4693 51.6441 59.2150
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S 51.4144 51.6514 59.2271
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S 51.5458 51.6028 59.3320
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S 51.5408 51.5548 59.4314
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S 51.4828 51.5117 59.3640
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S 51.4061 51.5011 59.3657
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S 51.3784 51.5315 59.3617
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S 51.3401 51.6229 59.3745
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| 1727 |
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S 51.3547 51.6593 59.3083
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| 1728 |
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S 51.4308 51.5892 59.3146
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S 51.5092 51.5526 59.3760
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| 1730 |
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S 51.5072 51.4862 59.4109
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| 1731 |
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S 51.4625 51.4416 59.4238
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S 51.5264 51.5188 59.4834
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| 1733 |
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S 51.6258 51.6973 59.5884
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S 51.5488 51.7705 59.6694
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S 51.5014 51.7043 59.6683
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S 51.4975 51.6760 59.5584
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S 51.4383 51.6503 59.5438
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S 51.3992 51.6191 59.5433
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S 51.3237 51.6022 59.6071
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| 1740 |
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S 51.3945 51.5358 59.6275
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S 51.4948 51.5466 59.6522
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S 51.5048 51.5921 59.7083
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S 51.5083 51.6031 59.6969
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S 51.5421 51.4528 59.5814
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S 51.5244 51.3498 59.4362
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S 51.5622 51.4234 59.4473
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S 51.6493 51.4155 59.5118
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| 1748 |
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S 51.6707 51.4494 59.4846
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S 51.6929 51.4732 59.4023
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S 51.6949 51.3517 59.3963
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S 51.7000 51.3341 59.4173
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S 51.6548 51.4149 59.4744
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S 51.5478 51.4731 59.4320
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S 51.4893 51.4382 59.3555
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S 51.3899 51.3573 59.4247
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S 51.4318 51.3942 59.5416
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S 51.4532 51.5084 59.5591
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S 51.3436 51.4070 59.5586
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S 51.2792 51.4099 59.6052
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S 51.3207 51.4019 59.6323
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S 51.4379 51.4380 59.5926
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S 51.4318 51.4643 59.5146
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S 51.4203 51.4728 59.3604
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S 51.4563 51.5552 59.2408
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S 51.4575 51.7150 59.2287
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| 1766 |
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S 51.4564 51.7323 59.2266
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| 1767 |
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S 51.3801 51.6617 59.3127
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| 1768 |
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S 51.3841 51.4715 59.3527
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| 1769 |
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S 51.4318 51.3877 59.3456
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| 1770 |
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S 51.4662 51.3960 59.3683
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S 51.5065 51.4144 59.4518
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| 1772 |
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S 51.6329 51.3725 59.6396
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| 1773 |
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S 51.6839 51.2929 59.6577
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| 1774 |
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S 51.6267 51.3061 59.5418
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| 1775 |
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S 51.5406 51.3828 59.3855
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S 51.4638 51.3608 59.3775
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| 1777 |
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S 51.5150 51.3279 59.3809
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| 1778 |
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S 51.5248 51.2908 59.3886
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| 1779 |
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S 51.5164 51.2762 59.3839
|
| 1780 |
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S 51.4878 51.2396 59.4128
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| 1781 |
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S 51.5460 51.3880 59.4373
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| 1782 |
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S 51.4855 51.4900 59.4689
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| 1783 |
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S 51.4880 51.5033 59.4869
|
| 1784 |
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S 51.4616 51.5857 59.5458
|
| 1785 |
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S 51.4608 51.6365 59.5580
|
| 1786 |
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S 51.3664 51.5642 59.5867
|
| 1787 |
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S 51.4038 51.4564 59.6373
|
| 1788 |
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S 51.4388 51.3552 59.6999
|
| 1789 |
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S 51.5397 51.3394 59.6687
|
| 1790 |
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S 51.5643 51.4334 59.6259
|
| 1791 |
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S 51.5529 51.6577 59.6039
|
| 1792 |
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S 51.4759 51.6559 59.5714
|
| 1793 |
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S 51.4258 51.5908 59.5411
|
| 1794 |
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S 51.4117 51.5091 59.5883
|
| 1795 |
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S 51.4510 51.4432 59.6383
|
| 1796 |
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S 51.6003 51.4138 59.5882
|
| 1797 |
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S 51.6242 51.4174 59.4638
|
| 1798 |
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S 51.5320 51.4629 59.4876
|
| 1799 |
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S 51.4095 51.4650 59.5157
|
| 1800 |
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S 51.3823 51.4171 59.5891
|
| 1801 |
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S 51.4296 51.3056 59.6070
|
| 1802 |
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S 51.5291 51.2984 59.6859
|
| 1803 |
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S 51.5936 51.3631 59.6900
|
| 1804 |
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S 51.6164 51.4362 59.6888
|
| 1805 |
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S 51.5834 51.4235 59.6571
|
| 1806 |
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S 51.5719 51.4213 59.5836
|
| 1807 |
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S 51.4374 51.4283 59.5689
|
| 1808 |
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S 51.3948 51.4390 59.4572
|
| 1809 |
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S 51.4060 51.4831 59.4738
|
| 1810 |
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S 51.4775 51.5221 59.4816
|
| 1811 |
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S 51.4149 51.5058 59.4683
|
| 1812 |
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S 51.3749 51.4947 59.4481
|
| 1813 |
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S 51.3412 51.5954 59.3908
|
| 1814 |
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S 51.3269 51.6969 59.3454
|
| 1815 |
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S 51.3233 51.7474 59.3108
|
| 1816 |
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S 51.3285 51.8175 59.3089
|
| 1817 |
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S 51.2882 51.8490 59.1704
|
| 1818 |
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S 51.2171 51.8156 59.2243
|
| 1819 |
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S 51.2371 51.7872 59.4038
|
| 1820 |
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S 51.3636 51.7083 59.4982
|
| 1821 |
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S 51.4368 51.6694 59.4827
|
| 1822 |
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S 51.5356 51.6729 59.4406
|
| 1823 |
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S 51.5308 51.6063 59.5006
|
| 1824 |
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S 51.5209 51.4706 59.5513
|
| 1825 |
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S 51.4830 51.4432 59.5406
|
| 1826 |
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S 51.3591 51.4295 59.5943
|
| 1827 |
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S 51.3756 51.3625 59.5740
|
| 1828 |
+
S 51.4415 51.3274 59.4999
|
| 1829 |
+
S 51.4585 51.3311 59.4985
|
| 1830 |
+
S 51.4563 51.3648 59.5588
|
| 1831 |
+
S 51.5470 51.4968 59.5819
|
| 1832 |
+
S 51.6194 51.5879 59.5408
|
| 1833 |
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S 51.5600 51.6098 59.6266
|
| 1834 |
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S 51.6152 51.5879 59.7054
|
| 1835 |
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S 51.6881 51.5148 59.8057
|
| 1836 |
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S 51.7154 51.4768 59.8754
|
| 1837 |
+
S 51.6032 51.5200 59.7843
|
| 1838 |
+
S 51.4498 51.4657 59.6698
|
| 1839 |
+
S 51.3848 51.3686 59.5224
|
| 1840 |
+
S 51.2753 51.2554 59.3856
|
| 1841 |
+
S 51.2028 51.3133 59.3769
|
| 1842 |
+
S 51.1687 51.3479 59.4475
|
| 1843 |
+
S 51.2346 51.3707 59.4676
|
| 1844 |
+
S 51.2604 51.4100 59.4684
|
| 1845 |
+
S 51.3054 51.3648 59.4387
|
| 1846 |
+
S 51.3742 51.2990 59.4484
|
| 1847 |
+
S 51.3934 51.3283 59.5492
|
| 1848 |
+
S 51.3241 51.4015 59.4786
|
| 1849 |
+
S 51.3047 51.4715 59.4797
|
| 1850 |
+
S 51.3472 51.4538 59.5146
|
| 1851 |
+
S 51.4632 51.5030 59.5509
|
| 1852 |
+
S 51.5115 51.5041 59.5937
|
| 1853 |
+
S 51.5414 51.5161 59.5165
|
| 1854 |
+
S 51.4613 51.5234 59.5752
|
| 1855 |
+
S 51.3888 51.5333 59.6502
|
| 1856 |
+
S 51.4092 51.5064 59.6470
|
| 1857 |
+
S 51.4162 51.4986 59.7040
|
| 1858 |
+
S 51.4329 51.4901 59.8189
|
| 1859 |
+
S 51.3683 51.4297 59.8293
|
| 1860 |
+
S 51.3778 51.4923 59.7206
|
| 1861 |
+
S 51.3794 51.5452 59.6013
|
| 1862 |
+
S 51.3868 51.4938 59.5155
|
| 1863 |
+
S 51.3256 51.4570 59.4483
|
| 1864 |
+
S 51.2930 51.3255 59.4894
|
| 1865 |
+
S 51.3866 51.3241 59.4486
|
| 1866 |
+
S 51.4841 51.3995 59.3581
|
| 1867 |
+
S 51.4766 51.3814 59.2718
|
| 1868 |
+
S 51.3015 51.4485 59.2464
|
| 1869 |
+
S 51.2431 51.5275 59.2391
|
| 1870 |
+
S 51.2862 51.5646 59.2058
|
| 1871 |
+
S 51.3492 51.6802 59.2086
|
| 1872 |
+
S 51.4706 51.6561 59.2162
|
| 1873 |
+
S 51.6208 51.5621 59.2960
|
| 1874 |
+
S 51.7205 51.5720 59.3579
|
| 1875 |
+
S 51.7620 51.5560 59.3556
|
| 1876 |
+
S 51.7000 51.5340 59.5029
|
| 1877 |
+
S 51.6530 51.4899 59.6621
|
| 1878 |
+
S 51.7389 51.3771 59.6831
|
| 1879 |
+
S 51.7648 51.3129 59.6564
|
| 1880 |
+
S 51.7396 51.4858 59.7691
|
| 1881 |
+
S 51.7068 51.6780 59.8782
|
| 1882 |
+
S 51.6128 51.7004 59.8757
|
| 1883 |
+
S 51.4721 51.5653 59.8672
|
| 1884 |
+
S 51.5648 51.4776 59.7827
|
| 1885 |
+
S 51.6653 51.4365 59.6531
|
| 1886 |
+
S 51.6173 51.3235 59.5176
|
| 1887 |
+
S 51.5813 51.2887 59.4175
|
| 1888 |
+
S 51.5034 51.2879 59.3628
|
| 1889 |
+
S 51.4499 51.4111 59.3719
|
| 1890 |
+
S 51.4446 51.5423 59.3901
|
| 1891 |
+
S 51.4214 51.5502 59.3980
|
| 1892 |
+
S 51.5717 51.5361 59.3291
|
| 1893 |
+
S 51.6577 51.4902 59.3416
|
| 1894 |
+
S 51.5845 51.5160 59.4161
|
| 1895 |
+
S 51.4982 51.5944 59.4684
|
| 1896 |
+
S 51.4764 51.5926 59.4381
|
| 1897 |
+
S 51.5748 51.4731 59.4600
|
| 1898 |
+
S 51.5666 51.3949 59.5868
|
| 1899 |
+
S 51.5967 51.4361 59.7045
|
| 1900 |
+
S 51.5382 51.5077 59.6864
|
| 1901 |
+
S 51.4657 51.4517 59.6576
|
| 1902 |
+
S 51.4895 51.4851 59.5705
|
| 1903 |
+
S 51.5283 51.4961 59.4892
|
| 1904 |
+
S 51.5678 51.4655 59.4639
|
| 1905 |
+
S 51.4836 51.4226 59.4369
|
| 1906 |
+
S 51.4148 51.4176 59.4432
|
| 1907 |
+
S 51.4737 51.4085 59.3964
|
| 1908 |
+
S 51.6001 51.3919 59.4462
|
| 1909 |
+
S 51.7329 51.4434 59.5041
|
| 1910 |
+
S 51.7878 51.4361 59.5100
|
| 1911 |
+
S 51.7609 51.4069 59.5894
|
| 1912 |
+
S 51.6901 51.3879 59.5179
|
| 1913 |
+
S 51.6851 51.3468 59.4283
|
| 1914 |
+
S 51.6430 51.4278 59.3496
|
| 1915 |
+
S 51.6351 51.4958 59.2837
|
| 1916 |
+
S 51.5919 51.5694 59.3218
|
| 1917 |
+
S 51.4616 51.7006 59.4069
|
| 1918 |
+
S 51.4196 51.8440 59.4464
|
| 1919 |
+
S 51.3654 51.8584 59.4117
|
| 1920 |
+
S 51.3632 51.7515 59.4409
|
| 1921 |
+
S 51.3394 51.5876 59.5289
|
| 1922 |
+
S 51.4193 51.4485 59.5086
|
| 1923 |
+
S 51.4639 51.2791 59.4916
|
| 1924 |
+
S 51.5425 51.2036 59.4338
|
| 1925 |
+
S 51.6779 51.2652 59.4161
|
| 1926 |
+
S 51.7099 51.3252 59.4451
|
| 1927 |
+
S 51.6481 51.3729 59.4218
|
| 1928 |
+
S 51.6566 51.3650 59.4443
|
| 1929 |
+
S 51.5789 51.3929 59.4352
|
| 1930 |
+
S 51.5452 51.5125 59.4461
|
| 1931 |
+
S 51.4852 51.5784 59.5035
|
| 1932 |
+
S 51.3061 51.6125 59.4721
|
| 1933 |
+
S 51.1887 51.6890 59.4333
|
| 1934 |
+
S 51.2162 51.7704 59.3398
|
| 1935 |
+
S 51.2507 51.7534 59.3106
|
| 1936 |
+
S 51.3123 51.7863 59.3141
|
| 1937 |
+
S 51.3989 51.8187 59.3298
|
| 1938 |
+
S 51.5444 51.8092 59.3486
|
| 1939 |
+
S 51.6114 51.7798 59.3601
|
| 1940 |
+
S 51.6221 51.6802 59.4286
|
| 1941 |
+
S 51.6079 51.5438 59.4421
|
| 1942 |
+
S 51.6971 51.3694 59.5094
|
| 1943 |
+
S 51.7658 51.2908 59.6224
|
| 1944 |
+
S 51.7702 51.3447 59.6951
|
| 1945 |
+
S 51.8679 51.4527 59.8128
|
| 1946 |
+
S 51.8842 51.5245 59.7820
|
| 1947 |
+
S 51.8235 51.5519 59.6808
|
| 1948 |
+
S 51.8225 51.5095 59.6374
|
| 1949 |
+
S 51.6639 51.4554 59.6180
|
| 1950 |
+
S 51.5312 51.4684 59.6143
|
| 1951 |
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S 51.4979 51.4411 59.6431
|
| 1952 |
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S 51.4108 51.4585 59.6546
|
| 1953 |
+
S 51.3942 51.4988 59.6930
|
| 1954 |
+
S 51.2358 51.5036 59.7138
|
| 1955 |
+
S 51.1758 51.4566 59.7823
|
| 1956 |
+
S 51.2036 51.4780 59.7394
|
| 1957 |
+
S 51.2344 51.5717 59.6159
|
| 1958 |
+
S 51.3639 51.6446 59.5000
|
| 1959 |
+
S 51.3566 51.6555 59.3573
|
| 1960 |
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S 51.3463 51.5566 59.2216
|
| 1961 |
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S 51.3693 51.5718 59.1374
|
| 1962 |
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S 51.3117 51.5828 59.2034
|
| 1963 |
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S 51.3365 51.7451 59.2559
|
| 1964 |
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S 51.3080 51.8029 59.3111
|
| 1965 |
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S 51.2746 51.7074 59.3660
|
| 1966 |
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S 51.3476 51.5859 59.4352
|
| 1967 |
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S 51.4395 51.4238 59.5177
|
| 1968 |
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S 51.5821 51.3743 59.5616
|
| 1969 |
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S 51.6132 51.3995 59.5708
|
| 1970 |
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S 51.5135 51.4057 59.5349
|
| 1971 |
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S 51.5577 51.4607 59.4315
|
| 1972 |
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S 51.4860 51.4793 59.4702
|
| 1973 |
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S 51.3697 51.4539 59.4513
|
| 1974 |
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S 51.2993 51.4050 59.3921
|
| 1975 |
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S 51.2976 51.4014 59.3866
|
| 1976 |
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S 51.3010 51.3810 59.3311
|
| 1977 |
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S 51.2935 51.3737 59.3908
|
| 1978 |
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S 51.4205 51.4375 59.4264
|
| 1979 |
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S 51.4602 51.4685 59.5272
|
| 1980 |
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S 51.4858 51.4553 59.5803
|
| 1981 |
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S 51.5808 51.3673 59.6442
|
| 1982 |
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S 51.7086 51.3579 59.6619
|
| 1983 |
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S 51.7774 51.3175 59.7431
|
| 1984 |
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S 51.7653 51.2966 59.7950
|
| 1985 |
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S 51.7629 51.3272 59.7528
|
| 1986 |
+
S 51.6614 51.3824 59.7453
|
| 1987 |
+
S 51.6679 51.4154 59.6645
|
| 1988 |
+
S 51.7255 51.4645 59.6679
|
| 1989 |
+
S 51.7761 51.4714 59.7993
|
| 1990 |
+
S 51.7468 51.3548 59.8044
|
| 1991 |
+
S 51.7100 51.2446 59.6940
|
| 1992 |
+
S 51.7230 51.1684 59.6012
|
| 1993 |
+
S 51.6538 51.2064 59.5266
|
| 1994 |
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S 51.6579 51.1920 59.4507
|
| 1995 |
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S 51.7104 51.2460 59.3833
|
| 1996 |
+
S 51.7687 51.2763 59.4310
|
| 1997 |
+
S 51.7313 51.2872 59.3560
|
| 1998 |
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S 51.5209 51.3498 59.2150
|
| 1999 |
+
S 51.4773 51.4246 59.2103
|
| 2000 |
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S 51.4449 51.4750 59.3477
|
| 2001 |
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S 51.3383 51.5119 59.4941
|
| 2002 |
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S 51.2638 51.4180 59.4852
|
| 2003 |
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S 51.2954 51.3830 59.4744
|
| 2004 |
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S 51.4216 51.4041 59.4883
|
| 2005 |
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S 51.4489 51.4111 59.4672
|
| 2006 |
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S 51.5350 51.4264 59.5101
|
| 2007 |
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S 51.5320 51.4816 59.5526
|
| 2008 |
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S 51.3919 51.5900 59.5317
|
| 2009 |
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S 51.3604 51.7367 59.5873
|
| 2010 |
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S 51.4143 51.7563 59.6349
|
| 2011 |
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S 51.3441 51.7240 59.6389
|
| 2012 |
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S 51.3102 51.5811 59.6373
|
| 2013 |
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S 51.3329 51.4573 59.6430
|
| 2014 |
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S 51.4410 51.4783 59.6271
|
| 2015 |
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S 51.5380 51.4986 59.6023
|
| 2016 |
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S 51.6772 51.4809 59.5170
|
| 2017 |
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S 51.7120 51.5129 59.5716
|
| 2018 |
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S 51.6306 51.5792 59.6942
|
| 2019 |
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S 51.5475 51.5772 59.5540
|
| 2020 |
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S 51.4590 51.5772 59.3662
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| 2021 |
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S 51.4839 51.6228 59.3251
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| 2022 |
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S 51.5677 51.5552 59.3545
|
| 2023 |
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S 51.6451 51.3858 59.2566
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| 2024 |
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S 51.6482 51.2358 59.2975
|
| 2025 |
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S 51.6104 51.1192 59.3457
|
| 2026 |
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S 51.5873 51.1603 59.4430
|
| 2027 |
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S 51.6822 51.2644 59.4953
|
| 2028 |
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S 51.7588 51.3442 59.5302
|
| 2029 |
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S 51.6759 51.3177 59.4861
|
| 2030 |
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S 51.4601 51.2090 59.4706
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| 2031 |
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S 51.3885 51.0469 59.4280
|
| 2032 |
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S 51.3338 50.1237 59.4290
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| 2033 |
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S 51.4533 48.2521 59.4858
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| 2034 |
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S 51.5120 47.5574 59.5375
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| 2035 |
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S 51.6559 47.3775 59.6675
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| 2036 |
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S 51.9084 47.5150 59.9674
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| 2037 |
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S 52.2711 47.7051 60.2188
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| 2038 |
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S 52.4895 47.8443 60.5257
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| 2039 |
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S 52.4712 47.8540 60.7748
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| 2040 |
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S 52.4663 47.8267 60.7156
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| 2041 |
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S 52.6000 47.9544 60.5706
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| 2042 |
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S 52.7408 48.1611 60.5075
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| 2043 |
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S 52.7986 48.2587 60.5093
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| 2044 |
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S 52.7732 48.4062 60.4272
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| 2045 |
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S 52.7273 48.4684 60.2986
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| 2046 |
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S 52.6156 48.5008 60.3800
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| 2047 |
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S 52.6272 48.4303 60.4591
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| 2048 |
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S 52.6826 48.3569 60.6098
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| 2049 |
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S 52.6971 48.3631 60.8206
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| 2050 |
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S 52.7164 48.3886 60.9828
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| 2051 |
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S 52.8113 48.4218 60.9809
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| 2052 |
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S 52.8338 48.4844 61.0363
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| 2053 |
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S 52.8294 48.6045 60.9735
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| 2054 |
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S 52.6515 48.6643 60.9336
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| 2055 |
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S 52.5150 48.7116 60.9588
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| 2056 |
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S 52.4528 48.6451 60.9858
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| 2057 |
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S 52.4657 48.5488 61.0922
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| 2058 |
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S 52.5188 48.5168 61.2255
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| 2059 |
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S 52.6968 48.5537 61.1425
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| 2060 |
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S 52.7537 48.6774 61.1138
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| 2061 |
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S 52.8802 48.8830 61.1558
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| 2062 |
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S 53.0181 49.0327 61.2254
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| 2063 |
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S 52.9150 48.9682 61.5621
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| 2064 |
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S 52.9468 48.8549 61.7381
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| 2065 |
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S 53.0578 48.8371 61.8190
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| 2066 |
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S 53.1604 48.8060 61.8774
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| 2067 |
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S 53.0577 48.6663 61.9206
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| 2068 |
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S 53.0055 48.6164 62.0103
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| 2069 |
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S 53.0628 48.7173 62.0817
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| 2070 |
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S 53.0516 48.8209 61.9390
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| 2071 |
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S 52.9862 48.8029 61.8111
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| 2072 |
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S 53.0487 48.7831 61.7473
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| 2073 |
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S 53.0292 48.6254 61.8242
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| 2074 |
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S 52.9522 48.4613 61.9226
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| 2075 |
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S 52.7808 48.3665 61.9480
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| 2076 |
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S 52.6594 48.3573 61.7934
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| 2077 |
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S 52.6092 48.4829 61.6833
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| 2078 |
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S 52.4879 48.5800 61.6206
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| 2079 |
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S 52.3606 48.6089 61.5518
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| 2080 |
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S 52.2016 48.5827 61.4533
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| 2081 |
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S 51.9790 48.5930 61.3713
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| 2082 |
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S 51.8574 48.5841 61.2845
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| 2083 |
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S 51.7103 48.6901 61.1173
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| 2084 |
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S 51.5427 48.7889 60.9280
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| 2085 |
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S 51.3634 48.9067 60.5614
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| 2086 |
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S 51.3907 48.9861 60.2181
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| 2087 |
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S 51.3982 48.9300 59.9691
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| 2088 |
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S 51.3328 48.7676 59.8753
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| 2089 |
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S 51.1794 48.6841 59.9047
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| 2090 |
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S 50.9843 48.6095 59.8380
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| 2091 |
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S 50.9285 48.5621 59.7483
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| 2092 |
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S 51.0420 48.5676 59.6627
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| 2093 |
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S 50.9790 48.6096 59.6930
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| 2094 |
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S 50.8916 48.6703 59.8588
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| 2095 |
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S 51.0117 48.6925 60.0635
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| 2096 |
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S 51.1508 48.6361 60.0466
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| 2097 |
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S 51.2641 48.5967 59.9582
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| 2098 |
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S 51.2144 48.4727 59.8188
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| 2099 |
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S 51.2770 48.3161 59.7585
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| 2100 |
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S 51.2904 48.2579 59.7447
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| 2101 |
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S 51.3423 48.2222 59.6095
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| 2102 |
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S 51.3236 48.2791 59.5045
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| 2103 |
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S 51.2728 48.3472 59.4520
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| 2104 |
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S 51.1802 48.4841 59.2673
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| 2105 |
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S 51.2313 48.4771 59.0701
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| 2106 |
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S 51.2027 48.4132 58.9715
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| 2107 |
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S 51.0850 48.4245 58.9472
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| 2108 |
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S 50.9798 48.4860 58.9562
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| 2109 |
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S 50.9437 48.5869 59.0655
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| 2110 |
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S 50.8590 48.6409 59.1769
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| 2111 |
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S 50.8769 48.6850 59.2013
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| 2112 |
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S 50.9261 48.7690 59.1981
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| 2113 |
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S 50.8569 48.6906 59.2054
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| 2114 |
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S 50.8742 48.6913 59.2060
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| 2115 |
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S 50.8587 48.6981 59.3374
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| 2116 |
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S 50.8506 48.7019 59.3733
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| 2117 |
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S 50.8490 48.7237 59.4272
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| 2118 |
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S 50.9127 48.7061 59.4313
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| 2119 |
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S 50.8967 48.5954 59.4015
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| 2120 |
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S 50.7828 48.4856 59.4246
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| 2121 |
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S 50.6749 48.4543 59.3318
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| 2122 |
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S 50.6229 48.5113 59.2578
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| 2123 |
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S 50.6409 48.6064 59.1708
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| 2124 |
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S 50.7452 48.5536 59.0638
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| 2125 |
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S 50.8159 48.5652 59.0508
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| 2126 |
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S 50.8471 48.6738 59.1172
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| 2127 |
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S 50.9800 48.6057 59.1835
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| 2128 |
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S 50.9025 48.4905 59.3227
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| 2129 |
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S 50.7436 48.4212 59.3976
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| 2130 |
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S 50.7160 48.3828 59.5279
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| 2131 |
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S 50.6605 48.2808 59.4800
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| 2132 |
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S 50.5854 48.2776 59.3251
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| 2133 |
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S 50.5300 48.3752 59.2942
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| 2134 |
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S 50.4289 48.3920 59.2845
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| 2135 |
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S 50.4143 48.3819 59.2376
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| 2136 |
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S 50.3785 48.3555 59.2416
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| 2137 |
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S 50.3603 48.3241 59.3565
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| 2138 |
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S 50.3740 48.2355 59.5014
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| 2139 |
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S 50.3853 48.1804 59.6897
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| 2140 |
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S 50.4798 48.1480 59.7293
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| 2141 |
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S 50.4889 48.0865 59.6857
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| 2142 |
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S 50.5216 48.1410 59.5635
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| 2143 |
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S 50.4545 48.2232 59.4532
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| 2144 |
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S 50.5188 48.2942 59.4172
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| 2145 |
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S 50.5044 48.3166 59.3213
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| 2146 |
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S 50.4353 48.4445 59.2551
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| 2147 |
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S 50.4250 48.5033 59.1295
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| 2148 |
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S 50.4460 48.5047 59.1078
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| 2149 |
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S 50.4428 48.6201 59.0677
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| 2150 |
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S 50.4262 48.7186 59.0975
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| 2151 |
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S 50.3874 48.6937 59.0999
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| 2152 |
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S 50.3801 48.5697 59.1439
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| 2153 |
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S 50.2976 48.4491 59.2018
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| 2154 |
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S 50.1863 48.3892 59.3023
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| 2155 |
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S 50.1792 48.3820 59.2870
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| 2156 |
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S 50.1723 48.3095 59.2740
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| 2157 |
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S 50.3155 48.2153 59.3013
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| 2158 |
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S 50.3675 48.1872 59.4604
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| 2159 |
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S 50.3276 48.2887 59.7478
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| 2160 |
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S 50.3213 48.1687 59.8958
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| 2161 |
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S 50.3476 48.1074 59.9220
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| 2162 |
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S 50.3863 48.0965 59.9413
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| 2163 |
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S 50.4394 48.1786 59.9414
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| 2164 |
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S 50.4930 48.2865 59.8608
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| 2165 |
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S 50.4602 48.4224 59.8335
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| 2166 |
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S 50.4384 48.4974 59.7625
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| 2167 |
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S 50.4545 48.5965 59.6779
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| 2168 |
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S 50.5349 48.8064 59.6054
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| 2169 |
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S 50.4840 49.0189 59.6297
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| 2170 |
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S 50.2989 48.8744 59.6457
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| 2171 |
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S 50.2753 48.8107 59.7489
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| 2172 |
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S 50.3346 48.8061 59.8479
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| 2173 |
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S 50.3588 48.7983 59.8858
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| 2174 |
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S 50.3773 48.8232 59.8721
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| 2175 |
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S 50.3692 48.8256 59.8754
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| 2176 |
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S 50.4655 48.7662 59.7886
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| 2177 |
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S 50.5333 48.8154 59.7774
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| 2178 |
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S 50.5275 48.8939 59.6421
|
| 2179 |
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S 50.5424 48.9926 59.5285
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| 2180 |
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S 50.5459 48.9018 59.3202
|
| 2181 |
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S 50.5436 48.7187 59.1180
|
| 2182 |
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S 50.3235 48.5153 59.1507
|
| 2183 |
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S 50.3286 48.3828 59.2198
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| 2184 |
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S 50.2636 48.3881 59.3119
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| 2185 |
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S 50.3696 48.4061 59.4546
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| 2186 |
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S 50.4107 48.4942 59.5318
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| 2187 |
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S 50.5317 48.6573 59.5906
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| 2188 |
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S 50.6458 48.6967 59.5168
|
| 2189 |
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S 50.5786 48.7730 59.4458
|
| 2190 |
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S 50.6524 48.8333 59.3416
|
| 2191 |
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S 52.6838 50.4301 54.5024
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S 52.9759 50.3603 53.8854
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S 52.5038 50.7764 53.1565
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S 52.6186 50.9300 53.0115
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5v3h_ligand_native_745/MCpath14.xyz
ADDED
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@@ -0,0 +1,491 @@
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| 1 |
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489
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| 2 |
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489
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| 3 |
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| 380 |
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|
5v3h_ligand_native_745/MCpath15.xyz
ADDED
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| 1 |
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674
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5v3h_ligand_native_745/MCpath16.xyz
ADDED
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@@ -0,0 +1,522 @@
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| 1 |
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520
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| 2 |
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520
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| 3 |
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|
5v3h_ligand_native_745/MCpath17.xyz
ADDED
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| 1 |
+
571
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| 2 |
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571
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| 3 |
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|
5v3h_ligand_native_745/MCpath18.xyz
ADDED
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| 1 |
+
880
|
| 2 |
+
880
|
| 3 |
+
S 54.2019 53.1926 54.2839
|
| 4 |
+
S 54.2049 53.2155 54.2829
|
| 5 |
+
S 54.2195 53.2155 54.3273
|
| 6 |
+
S 54.2858 53.1815 54.3052
|
| 7 |
+
S 54.2984 53.2107 54.2723
|
| 8 |
+
S 54.2912 53.2522 54.3271
|
| 9 |
+
S 54.2809 53.2769 54.3055
|
| 10 |
+
S 54.2650 53.2254 54.2861
|
| 11 |
+
S 54.2183 53.1688 54.3523
|
| 12 |
+
S 54.2404 53.1557 54.2646
|
| 13 |
+
S 54.3788 53.1349 54.2896
|
| 14 |
+
S 54.5180 53.1953 54.3002
|
| 15 |
+
S 54.6253 53.2918 54.3015
|
| 16 |
+
S 54.6487 53.3165 54.1768
|
| 17 |
+
S 54.5618 53.3966 54.2059
|
| 18 |
+
S 54.5468 53.4437 54.2607
|
| 19 |
+
S 54.5879 53.5394 54.2955
|
| 20 |
+
S 54.5984 53.6084 54.3404
|
| 21 |
+
S 54.5508 53.5594 54.4376
|
| 22 |
+
S 54.4928 53.4869 54.4767
|
| 23 |
+
S 54.4417 53.3951 54.4188
|
| 24 |
+
S 54.3524 53.3397 54.3430
|
| 25 |
+
S 54.2523 53.2798 54.4205
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| 882 |
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S 54.4962 50.9708 59.8593
|
5v3h_ligand_native_745/MCpath19.xyz
ADDED
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| 1 |
+
187
|
| 2 |
+
187
|
| 3 |
+
S 54.4539 53.2091 54.3115
|
| 4 |
+
S 54.4178 53.2056 54.3176
|
| 5 |
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S 54.3654 53.2314 54.2298
|
| 6 |
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S 54.3024 53.1694 54.1927
|
| 7 |
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S 54.2236 53.1116 54.1893
|
| 8 |
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S 54.1841 53.1973 54.2125
|
| 9 |
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S 54.1821 53.2276 54.1740
|
| 10 |
+
S 54.2345 53.3139 54.1234
|
| 11 |
+
S 54.2697 53.3574 54.0976
|
| 12 |
+
S 54.3289 53.3642 54.1204
|
| 13 |
+
S 54.4256 53.3365 54.1885
|
| 14 |
+
S 54.4913 53.3771 54.3395
|
| 15 |
+
S 54.6030 53.3790 54.4410
|
| 16 |
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S 54.6722 53.2746 54.5656
|
| 17 |
+
S 54.6330 53.1779 54.6065
|
| 18 |
+
S 54.4562 53.1123 54.6176
|
| 19 |
+
S 54.3131 53.1398 54.6356
|
| 20 |
+
S 54.2376 53.1257 54.6538
|
| 21 |
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S 54.2458 53.1291 54.5167
|
| 22 |
+
S 54.2291 53.2034 54.3509
|
| 23 |
+
S 54.3060 53.1971 54.3741
|
| 24 |
+
S 54.4489 53.2821 54.3790
|
| 25 |
+
S 54.5048 53.3705 54.3062
|
| 26 |
+
S 54.4696 53.4577 54.2202
|
| 27 |
+
S 54.4725 53.5002 54.1617
|
| 28 |
+
S 54.6027 53.5417 54.1943
|
| 29 |
+
S 54.7415 53.6783 54.3265
|
| 30 |
+
S 54.8576 53.7675 54.3271
|
| 31 |
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S 54.9852 53.7276 54.3494
|
| 32 |
+
S 55.0908 53.7413 54.3233
|
| 33 |
+
S 55.3564 53.7119 54.3316
|
| 34 |
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S 55.6739 53.7033 54.4478
|
| 35 |
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S 56.0157 53.7686 54.4326
|
| 36 |
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S 56.1423 53.8482 54.5326
|
| 37 |
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S 56.1289 53.7108 54.6180
|
| 38 |
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S 56.0731 53.4969 54.6389
|
| 39 |
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S 56.0403 53.2887 54.6871
|
| 40 |
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S 55.9459 53.1729 54.7701
|
| 41 |
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S 55.9640 53.2036 54.7537
|
| 42 |
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S 56.0470 53.1910 54.7283
|
| 43 |
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S 56.1496 53.2043 54.7196
|
| 44 |
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S 56.1838 53.2597 54.7211
|
| 45 |
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S 56.1891 53.3737 54.7809
|
| 46 |
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S 56.3002 53.5178 54.7917
|
| 47 |
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S 56.3786 53.5919 54.7912
|
| 48 |
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S 56.5119 53.6954 54.8175
|
| 49 |
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S 56.7122 53.6731 54.8246
|
| 50 |
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S 56.7872 53.6872 54.8854
|
| 51 |
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S 56.8518 53.7630 54.8784
|
| 52 |
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S 56.8985 53.8230 54.8333
|
| 53 |
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S 57.0063 53.8654 54.8319
|
| 54 |
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S 57.0188 53.9275 54.8387
|
| 55 |
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S 56.8835 53.9047 54.8761
|
| 56 |
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S 56.7612 53.7982 54.9459
|
| 57 |
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S 56.7079 53.6774 55.0029
|
| 58 |
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S 56.7380 53.6464 54.9557
|
| 59 |
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S 56.8191 53.7001 54.9992
|
| 60 |
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S 56.9484 53.7969 54.9726
|
| 61 |
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S 57.1116 53.8675 54.9408
|
| 62 |
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S 57.2669 53.9114 54.9871
|
| 63 |
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S 57.4206 53.9081 55.0066
|
| 64 |
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S 57.5528 53.8602 55.0783
|
| 65 |
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S 57.7406 53.8600 55.2852
|
| 66 |
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S 57.9229 53.8499 55.6127
|
| 67 |
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S 58.0757 53.8058 55.8829
|
| 68 |
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S 58.1316 53.7781 55.9630
|
| 69 |
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S 58.1300 53.6696 56.0062
|
| 70 |
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S 58.1105 53.7123 55.9711
|
| 71 |
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S 58.1377 53.8093 55.9152
|
| 72 |
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S 58.0862 53.8653 55.9146
|
| 73 |
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S 58.1109 53.9046 55.9215
|
| 74 |
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S 58.0488 54.0230 55.8963
|
| 75 |
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S 57.9625 54.1224 55.9246
|
| 76 |
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S 57.9488 54.0201 55.8630
|
| 77 |
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S 57.9392 53.9879 55.8448
|
| 78 |
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S 57.9533 54.0266 55.8501
|
| 79 |
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S 57.9739 54.1944 55.7078
|
| 80 |
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S 57.9112 54.2841 55.5930
|
| 81 |
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S 57.8697 54.4349 55.6177
|
| 82 |
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S 57.7948 54.6230 55.6747
|
| 83 |
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S 57.6862 54.7304 55.7691
|
| 84 |
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S 57.6044 54.7939 55.7650
|
| 85 |
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S 57.5432 54.8614 55.8529
|
| 86 |
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S 57.4832 54.8619 56.0397
|
| 87 |
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S 57.3655 54.8932 56.1835
|
| 88 |
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S 57.2652 54.8188 56.4283
|
| 89 |
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S 57.3026 54.8041 56.6065
|
| 90 |
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S 57.3368 54.8581 56.7346
|
| 91 |
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S 57.4295 54.8561 56.9233
|
| 92 |
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S 57.5870 54.8476 57.1380
|
| 93 |
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S 57.6697 54.6828 57.3564
|
| 94 |
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S 57.7250 54.5730 57.3967
|
| 95 |
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S 57.7044 54.3834 57.4432
|
| 96 |
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S 57.7060 54.1855 57.5024
|
| 97 |
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S 57.6330 54.0685 57.3985
|
| 98 |
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S 57.5623 54.0923 57.3482
|
| 99 |
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S 57.4879 54.1500 57.4263
|
| 100 |
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S 57.4312 54.2054 57.4392
|
| 101 |
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S 57.4210 54.0711 57.5026
|
| 102 |
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S 57.3764 53.8961 57.5366
|
| 103 |
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S 57.3243 53.7674 57.6112
|
| 104 |
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S 57.3357 53.7367 57.5988
|
| 105 |
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S 57.4768 53.7281 57.6242
|
| 106 |
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S 57.4789 53.6551 57.6251
|
| 107 |
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S 57.4837 53.5524 57.6912
|
| 108 |
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S 57.4602 53.4630 57.8067
|
| 109 |
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S 57.4268 53.4626 57.7555
|
| 110 |
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S 57.4109 53.4758 57.7074
|
| 111 |
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S 57.3444 53.3250 57.7642
|
| 112 |
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S 57.4423 53.1646 57.8032
|
| 113 |
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S 57.5153 53.1533 57.8231
|
| 114 |
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S 57.5890 53.2110 57.9078
|
| 115 |
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S 57.6543 53.2097 57.9169
|
| 116 |
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S 57.6749 53.2315 57.8568
|
| 117 |
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S 57.7665 53.3916 57.7766
|
| 118 |
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S 57.7280 53.4786 57.8105
|
| 119 |
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S 57.6865 53.3580 57.8235
|
| 120 |
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S 57.7861 53.3149 57.8597
|
| 121 |
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S 57.8196 53.3965 57.8000
|
| 122 |
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S 57.7391 53.4057 57.7587
|
| 123 |
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S 57.7184 53.4434 57.6960
|
| 124 |
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S 57.6402 53.4442 57.7166
|
| 125 |
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S 57.5767 53.3792 57.5764
|
| 126 |
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S 57.5032 53.3441 57.4633
|
| 127 |
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S 57.6028 53.3278 57.3876
|
| 128 |
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S 57.6852 53.2999 57.3088
|
| 129 |
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S 57.7079 53.2640 57.2552
|
| 130 |
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S 57.5648 53.2340 57.3502
|
| 131 |
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S 57.4936 53.2406 57.3781
|
| 132 |
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S 57.4853 53.1846 57.3895
|
| 133 |
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S 57.4522 53.2032 57.5143
|
| 134 |
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S 57.3473 53.2192 57.6425
|
| 135 |
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S 57.2517 53.1793 57.6221
|
| 136 |
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S 57.1772 53.1931 57.6205
|
| 137 |
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S 57.0183 53.2213 57.5569
|
| 138 |
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S 56.8005 53.3005 57.4516
|
| 139 |
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S 56.4897 53.3825 57.3746
|
| 140 |
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S 56.2088 53.3655 57.3496
|
| 141 |
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S 55.9839 53.2726 57.4032
|
| 142 |
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S 55.7954 53.1975 57.5143
|
| 143 |
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S 55.7806 53.1132 57.4299
|
| 144 |
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S 55.8208 53.1285 57.4268
|
| 145 |
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S 55.8481 53.1732 57.4481
|
| 146 |
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S 56.0711 53.1883 57.4601
|
| 147 |
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S 56.1334 53.2081 57.4370
|
| 148 |
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S 56.0079 53.2319 57.4333
|
| 149 |
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S 55.8834 53.2908 57.3984
|
| 150 |
+
S 55.6520 53.2930 57.3603
|
| 151 |
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S 55.4913 53.2213 57.3005
|
| 152 |
+
S 55.5036 53.1570 57.2500
|
| 153 |
+
S 55.5232 53.1755 57.3006
|
| 154 |
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S 55.6078 53.2852 57.3434
|
| 155 |
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S 55.5951 53.3483 57.2829
|
| 156 |
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S 55.5852 53.4551 57.1747
|
| 157 |
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S 55.6784 53.4728 57.1898
|
| 158 |
+
S 55.6195 53.5325 57.1992
|
| 159 |
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S 55.4611 53.5804 57.2299
|
| 160 |
+
S 55.3331 53.5969 57.2160
|
| 161 |
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S 55.1706 53.7109 57.1419
|
| 162 |
+
S 55.1498 53.6776 57.1075
|
| 163 |
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S 55.1473 53.6716 57.1178
|
| 164 |
+
S 55.1852 53.6943 57.1126
|
| 165 |
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S 55.1093 53.7035 57.1844
|
| 166 |
+
S 55.0190 53.6412 57.2731
|
| 167 |
+
S 55.1159 53.5602 57.3849
|
| 168 |
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S 55.2333 53.4828 57.3303
|
| 169 |
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S 55.2079 53.5184 57.3320
|
| 170 |
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S 55.1344 53.7069 57.3279
|
| 171 |
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S 55.0303 53.7724 57.3572
|
| 172 |
+
S 55.0027 53.7228 57.1907
|
| 173 |
+
S 55.0429 53.6464 57.1167
|
| 174 |
+
S 55.1199 53.6236 57.1096
|
| 175 |
+
S 55.2035 53.5121 57.1474
|
| 176 |
+
S 55.2064 53.3750 57.1801
|
| 177 |
+
S 55.1830 53.2466 57.2108
|
| 178 |
+
S 55.0975 53.3045 57.1740
|
| 179 |
+
S 55.0439 53.3841 57.1915
|
| 180 |
+
S 55.1334 53.4423 57.2554
|
| 181 |
+
S 55.1154 53.5021 57.3170
|
| 182 |
+
S 55.1732 53.4750 57.3588
|
| 183 |
+
S 55.2315 53.4372 57.3915
|
| 184 |
+
S 55.3358 53.3514 57.3974
|
| 185 |
+
S 55.4297 53.3152 57.5232
|
| 186 |
+
S 55.4002 53.2174 57.5563
|
| 187 |
+
S 55.3151 53.0912 57.6811
|
| 188 |
+
S 55.3041 52.9866 57.7638
|
| 189 |
+
S 55.3849 52.8813 57.8525
|
5v3h_ligand_native_745/MCpath2.xyz
ADDED
|
@@ -0,0 +1,5 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
| 1 |
+
3
|
| 2 |
+
3
|
| 3 |
+
S 54.1179 53.0164 54.2810
|
| 4 |
+
S 54.1603 53.0010 54.2859
|
| 5 |
+
S 54.2501 52.9400 54.3686
|
5v3h_ligand_native_745/MCpath20.xyz
ADDED
|
@@ -0,0 +1,8 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
| 1 |
+
6
|
| 2 |
+
6
|
| 3 |
+
S 54.3593 52.9548 54.2366
|
| 4 |
+
S 54.3325 53.0837 54.2298
|
| 5 |
+
S 54.2841 53.1516 54.2334
|
| 6 |
+
S 54.1694 53.1633 54.2415
|
| 7 |
+
S 54.1508 53.1011 54.3675
|
| 8 |
+
S 54.2524 52.9474 54.4866
|
5v3h_ligand_native_745/MCpath21.xyz
ADDED
|
@@ -0,0 +1,444 @@
|
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| 1 |
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442
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|
5v3h_ligand_native_745/MCpath22.xyz
ADDED
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|
| 1 |
+
1117
|
| 2 |
+
1117
|
| 3 |
+
S 54.1708 52.9969 54.2926
|
| 4 |
+
S 54.1920 52.9801 54.3792
|
| 5 |
+
S 54.2410 53.0210 54.4409
|
| 6 |
+
S 54.2443 53.0541 54.4394
|
| 7 |
+
S 54.3628 53.0981 54.4263
|
| 8 |
+
S 54.4785 53.1970 54.4438
|
| 9 |
+
S 54.5339 53.2204 54.4875
|
| 10 |
+
S 54.5289 53.1859 54.5575
|
| 11 |
+
S 54.5522 53.1143 54.5222
|
| 12 |
+
S 54.5463 53.1721 54.3874
|
| 13 |
+
S 54.5080 53.1481 54.3175
|
| 14 |
+
S 54.4958 53.0751 54.2960
|
| 15 |
+
S 54.4291 52.9966 54.2406
|
| 16 |
+
S 54.4252 52.9574 54.2654
|
| 17 |
+
S 54.4212 52.9661 54.3351
|
| 18 |
+
S 54.3846 53.0906 54.3260
|
| 19 |
+
S 54.4404 53.2118 54.3702
|
| 20 |
+
S 54.5499 53.3664 54.3886
|
| 21 |
+
S 54.6101 53.4420 54.4550
|
| 22 |
+
S 54.6054 53.4656 54.5670
|
| 23 |
+
S 54.5535 53.4032 54.7082
|
| 24 |
+
S 54.4823 53.3560 54.7915
|
| 25 |
+
S 54.4752 53.3020 54.7344
|
| 26 |
+
S 54.5287 53.3615 54.7392
|
| 27 |
+
S 54.6348 53.3889 54.8522
|
| 28 |
+
S 54.7499 53.4026 54.8886
|
| 29 |
+
S 54.7470 53.4273 54.8061
|
| 30 |
+
S 54.7304 53.4190 54.6816
|
| 31 |
+
S 54.7077 53.3862 54.6877
|
| 32 |
+
S 54.7373 53.3706 54.6743
|
| 33 |
+
S 54.7106 53.3498 54.6985
|
| 34 |
+
S 54.6223 53.2973 54.7031
|
| 35 |
+
S 54.4391 53.2667 54.7277
|
| 36 |
+
S 54.3462 53.2985 54.7437
|
| 37 |
+
S 54.2663 53.2827 54.7528
|
| 38 |
+
S 54.2381 53.3153 54.6824
|
| 39 |
+
S 54.2200 53.3497 54.5194
|
| 40 |
+
S 54.3202 53.4692 54.4997
|
| 41 |
+
S 54.4209 53.4881 54.4829
|
| 42 |
+
S 54.4388 53.5613 54.4040
|
| 43 |
+
S 54.3987 53.6337 54.4098
|
| 44 |
+
S 54.3511 53.6258 54.3545
|
| 45 |
+
S 54.4440 53.7013 54.3695
|
| 46 |
+
S 54.6015 53.7894 54.4343
|
| 47 |
+
S 54.6250 53.7958 54.4001
|
| 48 |
+
S 54.5683 53.8158 54.4664
|
| 49 |
+
S 54.5070 53.8510 54.4403
|
| 50 |
+
S 54.4607 53.7870 54.3891
|
| 51 |
+
S 54.4200 53.6828 54.3060
|
| 52 |
+
S 54.3766 53.6587 54.3409
|
| 53 |
+
S 54.3427 53.6911 54.3496
|
| 54 |
+
S 54.3366 53.7173 54.3181
|
| 55 |
+
S 54.3904 53.6796 54.4306
|
| 56 |
+
S 54.5027 53.5988 54.4966
|
| 57 |
+
S 54.6662 53.6106 54.5561
|
| 58 |
+
S 54.7011 53.6634 54.4874
|
| 59 |
+
S 54.7567 53.7387 54.5055
|
| 60 |
+
S 54.7523 53.7205 54.5490
|
| 61 |
+
S 54.6658 53.6236 54.5700
|
| 62 |
+
S 54.5783 53.7514 54.5539
|
| 63 |
+
S 54.3842 53.8354 54.5451
|
| 64 |
+
S 54.3071 53.7118 54.5003
|
| 65 |
+
S 54.2991 53.6177 54.4355
|
| 66 |
+
S 54.3564 53.6031 54.3801
|
| 67 |
+
S 54.3765 53.5214 54.3843
|
| 68 |
+
S 54.3883 53.4534 54.4319
|
| 69 |
+
S 54.3424 53.4670 54.4533
|
| 70 |
+
S 54.3709 53.5101 54.5662
|
| 71 |
+
S 54.4521 53.5340 54.6602
|
| 72 |
+
S 54.4564 53.5139 54.6656
|
| 73 |
+
S 54.4692 53.4946 54.5992
|
| 74 |
+
S 54.3798 53.5583 54.5275
|
| 75 |
+
S 54.3183 53.7128 54.4682
|
| 76 |
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|
| 1008 |
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S 31.3274 50.1999 51.6079
|
| 1009 |
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S 31.2674 50.2995 51.4538
|
| 1010 |
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S 31.1881 50.3584 51.4049
|
| 1011 |
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S 31.0660 50.2522 51.3231
|
| 1012 |
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S 30.9472 50.3257 51.1770
|
| 1013 |
+
S 30.9723 50.4556 51.1519
|
| 1014 |
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S 31.0029 50.4650 51.2368
|
| 1015 |
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S 31.0248 50.4428 51.3769
|
| 1016 |
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|
| 1017 |
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|
| 1018 |
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|
| 1019 |
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|
| 1020 |
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|
| 1021 |
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|
| 1022 |
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|
| 1023 |
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S 30.2835 50.5224 51.9226
|
| 1024 |
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|
| 1025 |
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|
| 1026 |
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|
| 1027 |
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|
| 1028 |
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|
| 1029 |
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|
| 1030 |
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|
| 1031 |
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|
| 1032 |
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S 30.1491 50.6283 51.8311
|
| 1033 |
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|
| 1034 |
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|
| 1035 |
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|
| 1036 |
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|
| 1037 |
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|
| 1038 |
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|
| 1039 |
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|
| 1040 |
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|
| 1041 |
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S 29.3766 50.4532 51.0562
|
| 1042 |
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S 29.3743 50.4841 50.9005
|
| 1043 |
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S 29.4081 50.5660 50.7634
|
| 1044 |
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S 29.3420 50.5672 50.5745
|
| 1045 |
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S 29.3495 50.4768 50.5527
|
| 1046 |
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S 29.3732 50.3814 50.5010
|
| 1047 |
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|
| 1048 |
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|
| 1049 |
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|
| 1050 |
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|
| 1051 |
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|
| 1052 |
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|
| 1053 |
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|
| 1054 |
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|
| 1055 |
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|
| 1056 |
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|
| 1057 |
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|
| 1058 |
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|
| 1059 |
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|
| 1060 |
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|
| 1061 |
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|
| 1062 |
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|
| 1063 |
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|
| 1064 |
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|
| 1065 |
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|
| 1066 |
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|
| 1067 |
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|
| 1068 |
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|
| 1069 |
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|
| 1070 |
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S 31.0941 48.2035 50.6581
|
| 1071 |
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|
| 1072 |
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S 31.2291 48.0126 50.8525
|
| 1073 |
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|
| 1074 |
+
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|
| 1075 |
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S 30.9763 48.1766 51.1310
|
| 1076 |
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S 31.0215 48.1956 51.3101
|
| 1077 |
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S 31.0983 48.2859 51.3912
|
| 1078 |
+
S 31.0152 48.4547 51.3999
|
| 1079 |
+
S 30.7991 48.4791 51.4655
|
| 1080 |
+
S 30.6100 48.5027 51.5706
|
| 1081 |
+
S 30.4249 48.5719 51.5201
|
| 1082 |
+
S 30.1947 48.5871 51.3532
|
| 1083 |
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S 30.0466 48.5768 51.4187
|
| 1084 |
+
S 29.9011 48.5566 51.5248
|
| 1085 |
+
S 29.9000 48.6266 51.6388
|
| 1086 |
+
S 29.9098 48.7037 51.6157
|
| 1087 |
+
S 29.8946 48.7701 51.6313
|
| 1088 |
+
S 29.7097 48.8214 51.7447
|
| 1089 |
+
S 29.5406 48.8910 51.8009
|
| 1090 |
+
S 29.4089 48.9156 51.9074
|
| 1091 |
+
S 29.2870 48.8574 51.9642
|
| 1092 |
+
S 29.2951 48.8283 51.9209
|
| 1093 |
+
S 29.2623 48.7977 51.8289
|
| 1094 |
+
S 29.1033 48.8950 51.8794
|
| 1095 |
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S 28.9807 48.9818 51.9229
|
| 1096 |
+
S 28.8229 49.1291 51.9617
|
| 1097 |
+
S 28.5385 49.2100 52.0676
|
| 1098 |
+
S 28.3272 49.2274 52.1855
|
| 1099 |
+
S 28.2188 49.3226 52.3370
|
| 1100 |
+
S 28.2273 49.3066 52.3862
|
| 1101 |
+
S 28.2061 49.3328 52.4277
|
| 1102 |
+
S 28.1346 49.3365 52.5430
|
| 1103 |
+
S 28.0481 49.3473 52.6272
|
| 1104 |
+
S 27.8945 49.4137 52.7491
|
| 1105 |
+
S 27.8548 49.3922 52.8150
|
| 1106 |
+
S 27.9248 49.3057 52.8936
|
| 1107 |
+
S 27.9459 49.2913 52.9464
|
| 1108 |
+
S 27.8865 49.2800 52.8813
|
| 1109 |
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S 27.8597 49.2792 52.8982
|
| 1110 |
+
S 27.8393 49.3618 52.8572
|
| 1111 |
+
S 27.8178 49.3772 52.7670
|
| 1112 |
+
S 27.6860 49.4840 52.6421
|
| 1113 |
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S 27.6437 49.5702 52.6046
|
| 1114 |
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S 27.6414 49.6502 52.5978
|
| 1115 |
+
S 27.6101 49.6995 52.4684
|
| 1116 |
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S 27.5989 49.6222 52.5045
|
| 1117 |
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S 27.5857 49.5630 52.6483
|
| 1118 |
+
S 27.5095 49.6182 52.8550
|
| 1119 |
+
S 27.3678 49.6729 52.9132
|
5v3h_ligand_native_745/MCpath23.xyz
ADDED
|
@@ -0,0 +1,41 @@
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| 1 |
+
39
|
| 2 |
+
39
|
| 3 |
+
S 54.3082 53.1182 54.3375
|
| 4 |
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S 54.3685 53.0994 54.3436
|
| 5 |
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S 54.3667 53.0987 54.3348
|
| 6 |
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S 54.2905 53.0886 54.2869
|
| 7 |
+
S 54.2291 53.1010 54.2537
|
| 8 |
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S 54.2313 53.1109 54.1676
|
| 9 |
+
S 54.2496 53.1051 54.2083
|
| 10 |
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S 54.3370 53.1164 54.2654
|
| 11 |
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S 54.3945 53.2324 54.3070
|
| 12 |
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S 54.4990 53.2390 54.2649
|
| 13 |
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S 54.5552 53.1870 54.2772
|
| 14 |
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S 54.5475 53.1571 54.3995
|
| 15 |
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S 54.4518 53.0909 54.4536
|
| 16 |
+
S 54.4129 53.0002 54.4863
|
| 17 |
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S 54.3688 52.9743 54.4430
|
| 18 |
+
S 54.4075 53.0120 54.3262
|
| 19 |
+
S 54.3609 53.0899 54.2918
|
| 20 |
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S 54.4106 53.1142 54.3103
|
| 21 |
+
S 54.4270 53.1638 54.3441
|
| 22 |
+
S 54.4025 53.2157 54.3218
|
| 23 |
+
S 54.3954 53.2258 54.2968
|
| 24 |
+
S 54.4298 53.2717 54.3314
|
| 25 |
+
S 54.4616 53.3509 54.3392
|
| 26 |
+
S 54.5368 53.3348 54.3410
|
| 27 |
+
S 54.5554 53.4094 54.4259
|
| 28 |
+
S 54.5981 53.4800 54.4339
|
| 29 |
+
S 54.7309 53.4227 54.4729
|
| 30 |
+
S 54.7905 53.3515 54.4464
|
| 31 |
+
S 54.8207 53.3661 54.4915
|
| 32 |
+
S 54.8888 53.4444 54.5801
|
| 33 |
+
S 55.0522 53.4764 54.6267
|
| 34 |
+
S 55.3009 53.5005 54.7155
|
| 35 |
+
S 55.6441 53.6089 54.8421
|
| 36 |
+
S 55.9199 53.6476 54.9474
|
| 37 |
+
S 56.0625 53.6379 55.0571
|
| 38 |
+
S 56.0896 53.6005 55.0765
|
| 39 |
+
S 56.0645 53.5913 55.1062
|
| 40 |
+
S 56.0277 53.5019 55.1708
|
| 41 |
+
S 55.8823 53.3422 55.2785
|
5v3h_ligand_native_745/MCpath24.xyz
ADDED
|
@@ -0,0 +1,603 @@
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| 1 |
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601
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| 2 |
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601
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5v3h_ligand_native_745/MCpath25.xyz
ADDED
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@@ -0,0 +1,395 @@
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| 1 |
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5v3h_ligand_native_745/MCpath26.xyz
ADDED
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| 1 |
+
786
|
| 2 |
+
786
|
| 3 |
+
S 54.5227 53.1625 54.5634
|
| 4 |
+
S 54.5131 53.1403 54.5543
|
| 5 |
+
S 54.5132 53.1347 54.4498
|
| 6 |
+
S 54.5345 53.1266 54.3644
|
| 7 |
+
S 54.5159 53.1048 54.3326
|
| 8 |
+
S 54.5859 53.1481 54.2663
|
| 9 |
+
S 54.6084 53.2044 54.2892
|
| 10 |
+
S 54.5965 53.2285 54.3181
|
| 11 |
+
S 54.6033 53.1934 54.3810
|
| 12 |
+
S 54.6083 53.1270 54.4231
|
| 13 |
+
S 54.5557 53.1247 54.4813
|
| 14 |
+
S 54.4787 53.1584 54.5081
|
| 15 |
+
S 54.4521 53.1493 54.4560
|
| 16 |
+
S 54.4363 53.1684 54.4726
|
| 17 |
+
S 54.3755 53.1572 54.4789
|
| 18 |
+
S 54.2842 53.1756 54.4615
|
| 19 |
+
S 54.2364 53.2085 54.4839
|
| 20 |
+
S 54.2123 53.2559 54.4038
|
| 21 |
+
S 54.1905 53.3432 54.3236
|
| 22 |
+
S 54.1833 53.3386 54.3608
|
| 23 |
+
S 54.1620 53.3618 54.3838
|
| 24 |
+
S 54.1392 53.3531 54.4364
|
| 25 |
+
S 54.1844 53.3767 54.5383
|
| 26 |
+
S 54.2611 53.4017 54.6701
|
| 27 |
+
S 54.3638 53.3031 54.5568
|
| 28 |
+
S 54.3993 53.2684 54.4759
|
| 29 |
+
S 54.4325 53.2706 54.4441
|
| 30 |
+
S 54.5302 53.2380 54.4359
|
| 31 |
+
S 54.5822 53.1968 54.4546
|
| 32 |
+
S 54.4996 53.2462 54.4632
|
| 33 |
+
S 54.4273 53.3162 54.4780
|
| 34 |
+
S 54.3482 53.3118 54.4728
|
| 35 |
+
S 54.3175 53.3269 54.5093
|
| 36 |
+
S 54.3412 53.3286 54.5191
|
| 37 |
+
S 54.3937 53.3179 54.4747
|
| 38 |
+
S 54.4468 53.3384 54.4165
|
| 39 |
+
S 54.5465 53.3540 54.4984
|
| 40 |
+
S 54.7040 53.2733 54.6254
|
| 41 |
+
S 54.7864 53.2742 54.6583
|
| 42 |
+
S 54.8047 53.4856 54.6916
|
| 43 |
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S 54.8080 53.5996 54.7449
|
| 44 |
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S 54.7771 53.6922 54.6752
|
| 45 |
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S 54.7404 53.7803 54.7158
|
| 46 |
+
S 54.6835 53.7877 54.7290
|
| 47 |
+
S 54.6267 53.7673 54.6677
|
| 48 |
+
S 54.6482 53.7200 54.6464
|
| 49 |
+
S 54.7194 53.6640 54.6456
|
| 50 |
+
S 54.7669 53.7036 54.6700
|
| 51 |
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S 54.7389 53.7534 54.6712
|
| 52 |
+
S 54.7527 53.6927 54.6264
|
| 53 |
+
S 54.6840 53.5768 54.5670
|
| 54 |
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S 54.5958 53.4988 54.6547
|
| 55 |
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S 54.5806 53.5385 54.7066
|
| 56 |
+
S 54.6136 53.5795 54.6607
|
| 57 |
+
S 54.6359 53.5916 54.6022
|
| 58 |
+
S 54.5942 53.4854 54.5154
|
| 59 |
+
S 54.4828 53.4267 54.4612
|
| 60 |
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S 54.3469 53.4824 54.5637
|
| 61 |
+
S 54.1908 53.5671 54.6406
|
| 62 |
+
S 54.1162 53.5797 54.6681
|
| 63 |
+
S 54.0868 53.5530 54.6923
|
| 64 |
+
S 54.1198 53.5402 54.6665
|
| 65 |
+
S 54.1254 53.5023 54.5749
|
| 66 |
+
S 54.1558 53.4670 54.4543
|
| 67 |
+
S 54.3062 53.5134 54.4595
|
| 68 |
+
S 54.5291 53.5653 54.3677
|
| 69 |
+
S 54.6446 53.6700 54.2065
|
| 70 |
+
S 54.6815 53.8149 54.1705
|
| 71 |
+
S 54.7674 53.8725 54.0796
|
| 72 |
+
S 54.7726 53.7400 54.0961
|
| 73 |
+
S 54.6681 53.7767 54.0940
|
| 74 |
+
S 54.5734 53.7717 53.8578
|
| 75 |
+
S 54.4970 53.7264 53.2702
|
| 76 |
+
S 54.4867 53.6685 52.8475
|
| 77 |
+
S 54.3920 53.6178 52.7360
|
| 78 |
+
S 54.2217 53.5557 52.5638
|
| 79 |
+
S 54.0699 53.4905 52.4894
|
| 80 |
+
S 54.0074 53.4586 52.4148
|
| 81 |
+
S 54.0222 53.3739 52.3743
|
| 82 |
+
S 53.9782 53.3202 52.4267
|
| 83 |
+
S 53.9144 53.4078 52.5791
|
| 84 |
+
S 53.7926 53.4705 52.7088
|
| 85 |
+
S 53.6377 53.4543 52.8836
|
| 86 |
+
S 53.5246 53.3691 52.9754
|
| 87 |
+
S 53.4625 53.3156 53.0522
|
| 88 |
+
S 53.2957 53.2999 53.0793
|
| 89 |
+
S 53.0764 53.1942 53.0823
|
| 90 |
+
S 52.9246 53.0662 53.0947
|
| 91 |
+
S 52.8791 53.1612 53.2248
|
| 92 |
+
S 52.9157 53.1594 53.4385
|
| 93 |
+
S 52.8443 53.1600 53.6367
|
| 94 |
+
S 52.6716 53.1530 53.7628
|
| 95 |
+
S 52.5765 53.0571 53.8125
|
| 96 |
+
S 52.4283 53.0122 53.8785
|
| 97 |
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| 726 |
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| 740 |
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| 741 |
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| 745 |
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S 48.2373 51.2694 40.4504
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| 764 |
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S 48.3275 51.4262 40.1014
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| 766 |
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S 48.4214 51.3141 39.9767
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| 767 |
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S 48.3999 51.2186 39.9775
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| 768 |
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S 48.4195 51.2942 40.0048
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| 769 |
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S 48.4942 51.3355 39.9649
|
| 770 |
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S 48.6090 51.4638 39.9235
|
| 771 |
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S 48.7658 51.5595 39.8508
|
| 772 |
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S 48.8655 51.5563 39.7413
|
| 773 |
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S 48.8737 51.4890 39.6547
|
| 774 |
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S 48.9187 51.3643 39.5634
|
| 775 |
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S 48.9265 51.1605 39.5649
|
| 776 |
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S 48.8965 51.0931 39.6010
|
| 777 |
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S 48.9006 51.1678 39.5823
|
| 778 |
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S 48.8647 51.2931 39.5353
|
| 779 |
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S 48.8220 51.3273 39.5229
|
| 780 |
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S 48.7125 51.2537 39.4485
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| 781 |
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S 48.6141 51.1021 39.4162
|
| 782 |
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S 48.5397 51.1123 39.4331
|
| 783 |
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S 48.5286 51.2005 39.4642
|
| 784 |
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S 48.3987 51.3182 39.4848
|
| 785 |
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S 48.2838 51.3530 39.4765
|
| 786 |
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S 48.2130 51.3398 39.4370
|
| 787 |
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S 48.0871 51.3247 39.3310
|
| 788 |
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S 48.0355 51.4256 39.1720
|
5v3h_ligand_native_745/MCpath27.xyz
ADDED
|
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|
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5v3h_ligand_native_745/MCpath28.xyz
ADDED
|
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| 1 |
+
457
|
| 2 |
+
457
|
| 3 |
+
S 54.3136 53.3008 54.2909
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| 4 |
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S 54.4092 53.2838 54.2443
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| 5 |
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S 54.5222 53.2671 54.2597
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| 6 |
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S 54.5499 53.2375 54.1720
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| 7 |
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S 54.4323 53.1750 54.1101
|
| 8 |
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|
| 9 |
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S 54.1941 53.2594 54.2948
|
| 10 |
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S 54.1319 53.2163 54.3311
|
| 11 |
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S 54.1474 53.2591 54.3833
|
| 12 |
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S 54.1455 53.3536 54.3957
|
| 13 |
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S 54.1940 53.3426 54.3745
|
| 14 |
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S 54.2063 53.4043 54.4133
|
| 15 |
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S 54.2583 53.4240 54.4824
|
| 16 |
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S 54.3235 53.4266 54.3906
|
| 17 |
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S 54.4134 53.3592 54.2286
|
| 18 |
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S 54.4277 53.3776 54.2528
|
| 19 |
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S 54.4513 53.4158 54.2491
|
| 20 |
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S 54.5248 53.3525 54.2495
|
| 21 |
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S 54.5439 53.3436 54.2383
|
| 22 |
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S 54.5547 53.4497 54.2723
|
| 23 |
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S 54.5613 53.5174 54.3034
|
| 24 |
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S 54.6485 53.4240 54.3184
|
| 25 |
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S 54.5626 53.3561 54.3868
|
| 26 |
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S 54.4351 53.3553 54.4352
|
| 27 |
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S 54.3601 53.3592 54.4740
|
| 28 |
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S 54.3069 53.3332 54.5078
|
| 29 |
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S 54.3339 53.3038 54.5160
|
| 30 |
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S 54.4046 53.3719 54.5233
|
| 31 |
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S 54.4326 53.4415 54.4971
|
| 32 |
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S 54.5045 53.4746 54.5057
|
| 33 |
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S 54.5943 53.3581 54.4980
|
| 34 |
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S 54.6124 53.1813 54.5498
|
| 35 |
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S 54.5510 53.1939 54.5946
|
| 36 |
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S 54.5688 53.2438 54.6482
|
| 37 |
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S 54.5676 53.2860 54.7354
|
| 38 |
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S 54.6750 53.3796 54.6966
|
| 39 |
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S 54.7121 53.4026 54.6587
|
| 40 |
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S 54.6529 53.4179 54.5564
|
| 41 |
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S 54.5472 53.5667 54.5081
|
| 42 |
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S 54.5352 53.6017 54.5613
|
| 43 |
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S 54.5705 53.5995 54.5115
|
| 44 |
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S 54.6517 53.5885 54.4761
|
| 45 |
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|
| 46 |
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S 54.6431 53.4867 54.4888
|
| 47 |
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S 54.5455 53.5540 54.5846
|
| 48 |
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S 54.5111 53.6055 54.6349
|
| 49 |
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S 54.4823 53.5888 54.6536
|
| 50 |
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S 54.5899 53.5510 54.6695
|
| 51 |
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S 54.6072 53.4723 54.6716
|
| 52 |
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S 54.5758 53.4553 54.7139
|
| 53 |
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S 54.5678 53.3847 54.7445
|
| 54 |
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S 54.4693 53.3580 54.7107
|
| 55 |
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S 54.3568 53.4162 54.6537
|
| 56 |
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S 54.3770 53.4193 54.6281
|
| 57 |
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S 54.3901 53.4467 54.6485
|
| 58 |
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S 54.3950 53.4576 54.5158
|
| 59 |
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S 54.4776 53.4412 54.4102
|
| 60 |
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S 54.5663 53.5309 54.3666
|
| 61 |
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S 54.5851 53.6089 54.3768
|
| 62 |
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S 54.5816 53.6825 54.4738
|
| 63 |
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S 54.5555 53.6516 54.4627
|
| 64 |
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S 54.5081 53.7129 54.4652
|
| 65 |
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S 54.5426 53.7138 54.4424
|
| 66 |
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S 54.4936 53.6432 54.4834
|
| 67 |
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S 54.3678 53.5560 54.5545
|
| 68 |
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S 54.2876 53.5384 54.6023
|
| 69 |
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S 54.2580 53.5331 54.6392
|
| 70 |
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S 54.2929 53.6249 54.6906
|
| 71 |
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S 54.3839 53.7094 54.6234
|
| 72 |
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S 54.4850 53.6999 54.5889
|
| 73 |
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S 54.5567 53.6423 54.6448
|
| 74 |
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S 54.6246 53.6581 54.6863
|
| 75 |
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S 54.6050 53.6602 54.7105
|
| 76 |
+
S 54.5856 53.6921 54.6520
|
| 77 |
+
S 54.4220 53.7182 54.5624
|
| 78 |
+
S 54.3316 53.6861 54.4189
|
| 79 |
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S 54.3407 53.7062 54.2625
|
| 80 |
+
S 54.3950 53.5783 54.2036
|
| 81 |
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S 54.4525 53.6065 54.2448
|
| 82 |
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S 54.4621 53.6457 54.1796
|
| 83 |
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S 54.5718 53.6156 54.2210
|
| 84 |
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S 54.6998 53.5802 54.3645
|
| 85 |
+
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5v3h_ligand_native_745/MCpath3.xyz
ADDED
|
@@ -0,0 +1,555 @@
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| 1 |
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553
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| 2 |
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553
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| 3 |
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| 50 |
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| 55 |
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| 62 |
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5v3h_ligand_native_745/MCpath30.xyz
ADDED
|
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| 1 |
+
259
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| 2 |
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259
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| 3 |
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| 4 |
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| 13 |
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| 14 |
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| 19 |
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| 22 |
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|
| 23 |
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| 24 |
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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|
| 32 |
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|
| 33 |
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| 34 |
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| 35 |
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| 36 |
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|
| 37 |
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| 38 |
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| 39 |
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|
| 40 |
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| 41 |
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| 42 |
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| 43 |
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| 45 |
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|
5v3h_ligand_native_745/MCpath31.xyz
ADDED
|
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| 1 |
+
238
|
| 2 |
+
238
|
| 3 |
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|
| 4 |
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|
| 5 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 13 |
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| 14 |
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| 15 |
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5v3h_ligand_native_745/MCpath33.xyz
ADDED
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| 1 |
+
1128
|
| 2 |
+
1128
|
| 3 |
+
S 54.1622 52.9960 54.3734
|
| 4 |
+
S 54.2174 53.0035 54.3285
|
| 5 |
+
S 54.3320 53.0977 54.2332
|
| 6 |
+
S 54.4030 53.2092 54.1978
|
| 7 |
+
S 54.4581 53.2847 54.2418
|
| 8 |
+
S 54.4655 53.4643 54.2136
|
| 9 |
+
S 54.4337 53.5166 54.2751
|
| 10 |
+
S 54.3908 53.5259 54.3457
|
| 11 |
+
S 54.3232 53.5273 54.3405
|
| 12 |
+
S 54.2018 53.4503 54.4145
|
| 13 |
+
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| 1110 |
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| 1130 |
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5v3h_ligand_native_745/MCpath34.xyz
ADDED
|
@@ -0,0 +1,40 @@
|
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|
|
|
|
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|
| 1 |
+
38
|
| 2 |
+
38
|
| 3 |
+
S 54.1415 53.0113 54.3858
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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|
| 8 |
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S 54.1408 53.2766 54.3523
|
| 9 |
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S 54.2658 53.2855 54.3428
|
| 10 |
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S 54.3272 53.2719 54.3807
|
| 11 |
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S 54.2843 53.2079 54.3649
|
| 12 |
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|
| 13 |
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S 54.3100 53.2339 54.3927
|
| 14 |
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|
| 15 |
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|
| 16 |
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S 54.3873 53.2505 54.2850
|
| 17 |
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S 54.4901 53.2035 54.2963
|
| 18 |
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S 54.5867 53.2901 54.3164
|
| 19 |
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S 54.6671 53.4367 54.3049
|
| 20 |
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S 54.7659 53.4635 54.3442
|
| 21 |
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S 54.8518 53.4931 54.4063
|
| 22 |
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S 54.8744 53.4993 54.4274
|
| 23 |
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S 54.8309 53.4561 54.3753
|
| 24 |
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S 54.7280 53.4723 54.3523
|
| 25 |
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S 54.6162 53.3502 54.3317
|
| 26 |
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S 54.5816 53.3250 54.3551
|
| 27 |
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S 54.5887 53.3227 54.3960
|
| 28 |
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S 54.5502 53.3312 54.4978
|
| 29 |
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S 54.5531 53.3076 54.5430
|
| 30 |
+
S 54.6109 53.3162 54.4662
|
| 31 |
+
S 54.6864 53.3675 54.4814
|
| 32 |
+
S 54.6228 53.3718 54.5497
|
| 33 |
+
S 54.5788 53.3767 54.6525
|
| 34 |
+
S 54.5898 53.4600 54.6640
|
| 35 |
+
S 54.5615 53.4869 54.6478
|
| 36 |
+
S 54.5498 53.4748 54.7439
|
| 37 |
+
S 54.4444 53.3604 54.8424
|
| 38 |
+
S 54.3651 53.2639 54.9133
|
| 39 |
+
S 54.3412 53.2778 54.9933
|
| 40 |
+
S 54.3707 53.2883 55.1184
|
5v3h_ligand_native_745/MCpath35.xyz
ADDED
|
@@ -0,0 +1,8 @@
|
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|
| 1 |
+
6
|
| 2 |
+
6
|
| 3 |
+
S 54.2587 53.1374 54.2599
|
| 4 |
+
S 54.2643 53.0167 54.2920
|
| 5 |
+
S 54.3245 52.9713 54.2690
|
| 6 |
+
S 54.4072 52.9775 54.1787
|
| 7 |
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S 54.3775 52.9561 54.1261
|
| 8 |
+
S 54.2626 52.8904 54.1010
|
5v3h_ligand_native_745/MCpath36.xyz
ADDED
|
@@ -0,0 +1,42 @@
|
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|
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|
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|
| 1 |
+
40
|
| 2 |
+
40
|
| 3 |
+
S 54.1786 53.0231 54.3720
|
| 4 |
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|
| 5 |
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|
| 6 |
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|
| 7 |
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S 54.3446 53.1157 54.4528
|
| 8 |
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S 54.4204 53.2081 54.4055
|
| 9 |
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S 54.5136 53.2936 54.3731
|
| 10 |
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S 54.5342 53.2825 54.3066
|
| 11 |
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S 54.5908 53.2989 54.3135
|
| 12 |
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S 54.5900 53.2991 54.4105
|
| 13 |
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S 54.5251 53.3168 54.4121
|
| 14 |
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S 54.4187 53.2702 54.3584
|
| 15 |
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S 54.3694 53.2206 54.2889
|
| 16 |
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S 54.4025 53.2073 54.2660
|
| 17 |
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S 54.3355 53.2198 54.2023
|
| 18 |
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S 54.2188 53.3264 54.1550
|
| 19 |
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S 54.1864 53.3750 54.2330
|
| 20 |
+
S 54.1496 53.3676 54.3548
|
| 21 |
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S 54.1720 53.3364 54.3899
|
| 22 |
+
S 54.2692 53.3281 54.4743
|
| 23 |
+
S 54.2968 53.3475 54.4446
|
| 24 |
+
S 54.3087 53.3137 54.4786
|
| 25 |
+
S 54.3350 53.2099 54.4036
|
| 26 |
+
S 54.3206 53.2834 54.3217
|
| 27 |
+
S 54.3759 53.4006 54.4271
|
| 28 |
+
S 54.4774 53.4290 54.4213
|
| 29 |
+
S 54.6219 53.4537 54.3554
|
| 30 |
+
S 54.8551 53.4778 54.3556
|
| 31 |
+
S 55.0728 53.4727 54.3602
|
| 32 |
+
S 55.2477 53.4638 54.3921
|
| 33 |
+
S 55.3985 53.3805 54.4561
|
| 34 |
+
S 55.5051 53.3000 54.5274
|
| 35 |
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S 55.6001 53.3334 54.6641
|
| 36 |
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S 55.7638 53.3919 54.7181
|
| 37 |
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S 56.0334 53.4764 54.7790
|
| 38 |
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S 56.0688 53.6201 54.9011
|
| 39 |
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S 56.0440 53.5685 55.1358
|
| 40 |
+
S 56.0113 53.3749 55.2923
|
| 41 |
+
S 56.0040 53.1500 55.3495
|
| 42 |
+
S 55.9230 53.0831 55.4127
|
5v3h_ligand_native_745/MCpath37.xyz
ADDED
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| 1 |
+
815
|
| 2 |
+
815
|
| 3 |
+
S 54.2269 53.1637 54.4721
|
| 4 |
+
S 54.1974 53.1637 54.4778
|
| 5 |
+
S 54.1842 53.1738 54.3184
|
| 6 |
+
S 54.1943 53.2534 54.2351
|
| 7 |
+
S 54.2376 53.3526 54.1909
|
| 8 |
+
S 54.3272 53.3039 54.1631
|
| 9 |
+
S 54.3438 53.2704 54.1064
|
| 10 |
+
S 54.2797 53.2416 54.1800
|
| 11 |
+
S 54.3199 53.1374 54.2623
|
| 12 |
+
S 54.3453 53.1303 54.2716
|
| 13 |
+
S 54.3678 53.1421 54.2972
|
| 14 |
+
S 54.3275 53.1864 54.3521
|
| 15 |
+
S 54.3452 53.2496 54.4566
|
| 16 |
+
S 54.4112 53.2725 54.5216
|
| 17 |
+
S 54.4717 53.2982 54.5876
|
| 18 |
+
S 54.5823 53.2032 54.6079
|
| 19 |
+
S 54.7015 53.2043 54.5455
|
| 20 |
+
S 54.6938 53.3260 54.5319
|
| 21 |
+
S 54.6741 53.3935 54.4181
|
| 22 |
+
S 54.6726 53.3985 54.3104
|
| 23 |
+
S 54.6719 53.3137 54.2936
|
| 24 |
+
S 54.6358 53.2622 54.3709
|
| 25 |
+
S 54.5690 53.3125 54.4150
|
| 26 |
+
S 54.5068 53.3942 54.4536
|
| 27 |
+
S 54.5285 53.3335 54.4633
|
| 28 |
+
S 54.4957 53.3435 54.5572
|
| 29 |
+
S 54.4067 53.4201 54.5150
|
| 30 |
+
S 54.3596 53.4717 54.4691
|
| 31 |
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5v3h_ligand_native_745/MCpath38.xyz
ADDED
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| 1 |
+
636
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| 2 |
+
636
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| 3 |
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5v3h_ligand_native_745/MCpath39.xyz
ADDED
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| 1 |
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730
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|
5v3h_ligand_native_745/MCpath4.xyz
ADDED
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580
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5v3h_ligand_native_745/MCpath40.xyz
ADDED
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| 1 |
+
328
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| 2 |
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328
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| 3 |
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|
5v3h_ligand_native_745/MCpath41.xyz
ADDED
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| 1 |
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|
5v3h_ligand_native_745/MCpath42.xyz
ADDED
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| 232 |
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| 233 |
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| 234 |
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| 235 |
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| 236 |
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| 237 |
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| 238 |
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S 56.9311 55.2049 55.6398
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| 239 |
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| 240 |
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| 241 |
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| 242 |
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| 243 |
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| 244 |
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| 245 |
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|
| 246 |
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S 56.9138 54.3350 55.2948
|
| 247 |
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S 56.8364 54.2923 55.5357
|
| 248 |
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| 249 |
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S 57.0854 54.3851 56.0020
|
| 250 |
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| 251 |
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S 57.1293 54.4753 55.9150
|
| 252 |
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S 57.0787 54.4985 55.7192
|
| 253 |
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S 57.0574 54.5063 55.6399
|
| 254 |
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S 57.0091 54.4282 55.5350
|
| 255 |
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S 56.9403 54.3962 55.4249
|
| 256 |
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S 56.8895 54.4465 55.4984
|
| 257 |
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S 57.0408 54.4938 55.7497
|
| 258 |
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S 57.1022 54.4900 55.9201
|
| 259 |
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S 57.0508 54.5042 56.0081
|
| 260 |
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S 57.1248 54.4656 55.9079
|
| 261 |
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S 57.2089 54.3855 55.7187
|
| 262 |
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S 57.2996 54.2945 55.5556
|
| 263 |
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S 57.3824 54.2571 55.5769
|
| 264 |
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S 57.4528 54.1444 55.6135
|
| 265 |
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S 57.5223 53.9872 55.5597
|
| 266 |
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S 57.5365 53.9671 55.5753
|
| 267 |
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S 57.5692 53.9053 55.5689
|
| 268 |
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S 57.5393 53.8692 55.5395
|
| 269 |
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S 57.5061 53.8075 55.4632
|
| 270 |
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S 57.5326 53.7161 55.4388
|
| 271 |
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S 57.5603 53.6982 55.4135
|
| 272 |
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S 57.5717 53.7507 55.4505
|
| 273 |
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S 57.6561 53.6629 55.3883
|
| 274 |
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S 57.7352 53.5857 55.3241
|
| 275 |
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S 57.7558 53.4719 55.4363
|
| 276 |
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S 57.6594 53.3598 55.5048
|
| 277 |
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S 57.6640 53.1533 55.5774
|
| 278 |
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S 57.6032 52.9296 55.6557
|
| 279 |
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S 57.4927 52.6944 55.8217
|
| 280 |
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S 57.4148 52.5212 55.9122
|
| 281 |
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S 57.3629 52.4438 56.0335
|
| 282 |
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S 57.4255 52.4598 56.1272
|
| 283 |
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S 57.5420 52.4209 56.2878
|
| 284 |
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S 57.5012 52.4307 56.4359
|
| 285 |
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S 57.4998 52.3481 56.5808
|
| 286 |
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S 57.3476 52.3649 56.7484
|
| 287 |
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S 57.1391 52.3507 56.8428
|
| 288 |
+
S 56.9456 52.3363 56.8322
|
5v3h_ligand_native_745/MCpath43.xyz
ADDED
|
@@ -0,0 +1,6 @@
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+
4
|
| 2 |
+
4
|
| 3 |
+
S 54.2075 53.0108 54.3935
|
| 4 |
+
S 54.2155 53.0129 54.3322
|
| 5 |
+
S 54.2159 52.9636 54.2712
|
| 6 |
+
S 54.2213 52.8878 54.3018
|
5v3h_ligand_native_745/MCpath44.xyz
ADDED
|
@@ -0,0 +1,165 @@
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|
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|
|
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|
|
|
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|
|
|
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|
|
|
|
|
|
|
|
|
|
|
|
|
|
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|
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|
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|
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|
| 1 |
+
163
|
| 2 |
+
163
|
| 3 |
+
S 54.2342 53.0692 54.4282
|
| 4 |
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| 5 |
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| 6 |
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| 7 |
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| 8 |
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| 9 |
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| 10 |
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| 11 |
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| 12 |
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| 13 |
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| 14 |
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| 15 |
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| 16 |
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| 17 |
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| 18 |
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| 19 |
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| 20 |
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| 21 |
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| 22 |
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| 23 |
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S 54.5304 53.2951 54.3174
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| 24 |
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S 54.5363 53.3216 54.4181
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| 25 |
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| 26 |
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| 27 |
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| 28 |
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| 29 |
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| 30 |
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| 31 |
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| 32 |
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|
| 33 |
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| 34 |
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| 35 |
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| 36 |
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|
| 37 |
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| 38 |
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| 39 |
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| 40 |
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| 41 |
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|
| 42 |
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| 43 |
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| 44 |
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| 45 |
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| 46 |
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| 47 |
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| 48 |
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| 49 |
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| 50 |
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| 51 |
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| 52 |
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S 54.1622 53.7195 54.5656
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| 53 |
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S 54.1816 53.6723 54.5350
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| 54 |
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| 55 |
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|
| 56 |
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| 57 |
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| 58 |
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| 59 |
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| 60 |
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| 61 |
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| 62 |
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| 63 |
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| 64 |
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| 65 |
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| 66 |
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S 54.9772 54.8941 54.6361
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| 67 |
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| 68 |
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| 69 |
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| 70 |
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| 71 |
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| 72 |
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| 73 |
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| 74 |
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| 75 |
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S 56.5420 54.2999 55.1188
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| 76 |
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S 56.4601 54.3881 55.2964
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| 77 |
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| 78 |
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| 79 |
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| 80 |
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| 81 |
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| 82 |
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| 83 |
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S 57.0262 54.6571 55.3584
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| 84 |
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| 85 |
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| 86 |
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S 57.1592 54.5969 55.4193
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| 87 |
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| 88 |
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S 57.2693 54.6226 55.4856
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| 89 |
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S 57.1631 54.5569 55.5412
|
| 90 |
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S 57.1057 54.3959 55.6158
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| 91 |
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| 92 |
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|
| 93 |
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| 94 |
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S 57.2573 54.2689 55.5189
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| 95 |
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S 57.2987 54.3209 55.5581
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| 96 |
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S 57.2904 54.3396 55.4912
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| 97 |
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S 57.3444 54.3483 55.4994
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| 98 |
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| 99 |
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S 57.3698 54.3801 55.5543
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| 100 |
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S 57.4068 54.3381 55.5494
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| 101 |
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| 102 |
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| 103 |
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S 57.3723 54.2935 55.7712
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| 104 |
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S 57.4787 54.3048 55.6745
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| 105 |
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S 57.6243 54.2518 55.7643
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| 106 |
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S 57.8007 54.2882 55.9323
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| 107 |
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| 108 |
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S 58.1264 54.5127 55.9480
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| 109 |
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| 110 |
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S 58.3154 54.8184 56.1366
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| 111 |
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S 58.3846 54.8149 56.2528
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| 112 |
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S 58.4945 54.7579 56.4315
|
| 113 |
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S 58.6015 54.6669 56.6258
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| 114 |
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S 58.6574 54.6125 56.7743
|
| 115 |
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S 58.7729 54.5389 56.9705
|
| 116 |
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S 58.8321 54.5002 56.9645
|
| 117 |
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S 58.8810 54.4464 56.9553
|
| 118 |
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S 58.8908 54.4218 57.0357
|
| 119 |
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S 58.7741 54.3645 57.1239
|
| 120 |
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| 121 |
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| 122 |
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|
| 123 |
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|
| 124 |
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|
| 125 |
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S 58.1019 53.7581 57.4744
|
| 126 |
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S 57.9304 53.5690 57.4048
|
| 127 |
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S 57.7553 53.3502 57.4508
|
| 128 |
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S 57.5798 53.1669 57.5551
|
| 129 |
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S 57.5051 52.9911 57.6128
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| 130 |
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|
| 131 |
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| 132 |
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| 133 |
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| 134 |
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| 135 |
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| 136 |
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| 137 |
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| 138 |
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| 139 |
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| 140 |
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| 141 |
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| 142 |
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| 143 |
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| 144 |
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| 145 |
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S 57.6272 52.0885 57.4715
|
| 146 |
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| 147 |
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| 148 |
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| 149 |
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| 150 |
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| 151 |
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| 152 |
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| 153 |
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| 154 |
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| 155 |
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| 156 |
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| 157 |
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| 158 |
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| 159 |
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| 160 |
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| 161 |
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| 162 |
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| 163 |
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| 164 |
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| 165 |
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|
5v3h_ligand_native_745/MCpath45.xyz
ADDED
|
@@ -0,0 +1,119 @@
|
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|
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|
|
|
|
|
|
|
|
|
|
|
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|
|
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|
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|
| 1 |
+
117
|
| 2 |
+
117
|
| 3 |
+
S 54.2501 52.9967 54.3502
|
| 4 |
+
S 54.2363 52.9871 54.4074
|
| 5 |
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S 54.2671 52.9924 54.3956
|
| 6 |
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S 54.2660 52.9985 54.3392
|
| 7 |
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S 54.2726 52.9820 54.3553
|
| 8 |
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S 54.3535 53.0085 54.3532
|
| 9 |
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S 54.4008 53.0904 54.3305
|
| 10 |
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S 54.4307 53.1506 54.4059
|
| 11 |
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S 54.4414 53.1904 54.4740
|
| 12 |
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S 54.3911 53.2581 54.4275
|
| 13 |
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S 54.3675 53.2893 54.3971
|
| 14 |
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S 54.4148 53.3046 54.3886
|
| 15 |
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|
| 16 |
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|
| 17 |
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|
| 18 |
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|
| 19 |
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|
| 20 |
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|
| 21 |
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|
| 22 |
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|
| 23 |
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|
| 24 |
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S 54.2802 53.0601 54.6818
|
| 25 |
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S 54.3315 53.1007 54.6466
|
| 26 |
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S 54.3364 53.2347 54.6068
|
| 27 |
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S 54.4112 53.3016 54.6536
|
| 28 |
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S 54.5539 53.2744 54.7364
|
| 29 |
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S 54.5725 53.3433 54.7054
|
| 30 |
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|
| 31 |
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S 54.5004 53.5692 54.5588
|
| 32 |
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S 54.5328 53.5688 54.4833
|
| 33 |
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S 54.5689 53.5807 54.3880
|
| 34 |
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|
| 35 |
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|
| 36 |
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|
| 37 |
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S 54.4450 53.2574 54.7617
|
| 38 |
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S 54.4105 53.2354 54.7121
|
| 39 |
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S 54.4286 53.3378 54.5622
|
| 40 |
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S 54.4727 53.4912 54.3131
|
| 41 |
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S 54.4819 53.6484 54.1349
|
| 42 |
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S 54.5710 53.6800 54.1725
|
| 43 |
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S 54.6482 53.7669 54.1745
|
| 44 |
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S 54.6388 53.7566 54.1654
|
| 45 |
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S 54.6335 53.7407 54.1816
|
| 46 |
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S 54.5655 53.6622 54.2544
|
| 47 |
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S 54.4335 53.6926 54.3422
|
| 48 |
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S 54.3266 53.7086 54.5637
|
| 49 |
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S 54.2989 53.6272 54.6357
|
| 50 |
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S 54.3731 53.4345 54.7597
|
| 51 |
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S 54.4152 53.3688 54.7768
|
| 52 |
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S 54.4517 53.3067 54.6781
|
| 53 |
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S 54.4653 53.2838 54.6234
|
| 54 |
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S 54.3863 53.4024 54.4688
|
| 55 |
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S 54.2360 53.5868 54.4168
|
| 56 |
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S 54.1811 53.6089 54.3710
|
| 57 |
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S 54.2075 53.5328 54.4532
|
| 58 |
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S 54.2546 53.4731 54.4995
|
| 59 |
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S 54.3742 53.4649 54.5254
|
| 60 |
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S 54.4472 53.4752 54.5796
|
| 61 |
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S 54.4246 53.6185 54.6222
|
| 62 |
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S 54.4380 53.7239 54.6971
|
| 63 |
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S 54.4004 53.8271 54.7374
|
| 64 |
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S 54.3524 53.9124 54.7228
|
| 65 |
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S 54.3032 53.7802 54.5459
|
| 66 |
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S 54.3234 53.6756 54.4373
|
| 67 |
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S 54.3943 53.7408 54.3495
|
| 68 |
+
S 54.5001 53.7969 54.1666
|
| 69 |
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S 54.5781 53.8216 53.9471
|
| 70 |
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S 54.6196 53.6879 53.4232
|
| 71 |
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S 54.6264 53.6752 53.0393
|
| 72 |
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S 54.4648 53.5536 53.0410
|
| 73 |
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S 54.2248 53.4773 53.0138
|
| 74 |
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S 54.0585 53.5840 53.0510
|
| 75 |
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S 54.1107 53.5983 53.0738
|
| 76 |
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S 54.2795 53.6391 53.0233
|
| 77 |
+
S 54.3930 53.6905 53.0355
|
| 78 |
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S 54.4144 53.4617 53.0658
|
| 79 |
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S 54.3306 53.3552 53.1230
|
| 80 |
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S 54.2792 53.3478 53.0706
|
| 81 |
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S 54.2921 53.4239 53.1073
|
| 82 |
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S 54.3312 53.4951 52.9899
|
| 83 |
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S 54.3289 53.4973 52.9867
|
| 84 |
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S 54.4046 53.3893 53.0600
|
| 85 |
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S 54.3939 53.3584 53.0175
|
| 86 |
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S 54.3756 53.3475 53.0224
|
| 87 |
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S 54.2973 53.4071 52.9614
|
| 88 |
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S 54.2593 53.3311 52.8988
|
| 89 |
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S 54.1974 53.3236 52.9753
|
| 90 |
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S 54.1496 53.4341 52.9818
|
| 91 |
+
S 54.1560 53.5252 52.9787
|
| 92 |
+
S 54.1517 53.5131 52.8329
|
| 93 |
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S 54.1621 53.4059 52.7714
|
| 94 |
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S 54.1725 53.3268 52.7386
|
| 95 |
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S 54.3106 53.3225 52.7117
|
| 96 |
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S 54.4538 53.3469 52.7294
|
| 97 |
+
S 54.5374 53.3073 52.6605
|
| 98 |
+
S 54.6367 53.3107 52.5199
|
| 99 |
+
S 54.7504 53.2275 52.2856
|
| 100 |
+
S 54.8646 53.3046 52.1946
|
| 101 |
+
S 55.0418 53.3907 52.0888
|
| 102 |
+
S 55.3431 53.4049 52.3131
|
| 103 |
+
S 55.6874 53.4593 52.4672
|
| 104 |
+
S 55.9487 53.5168 52.5395
|
| 105 |
+
S 56.0958 53.4700 52.5918
|
| 106 |
+
S 56.0476 53.4221 52.7167
|
| 107 |
+
S 55.9695 53.3825 52.9321
|
| 108 |
+
S 55.9799 53.3564 53.0850
|
| 109 |
+
S 56.1009 53.3316 53.1333
|
| 110 |
+
S 56.0875 53.2202 53.2930
|
| 111 |
+
S 56.0278 53.1936 53.3399
|
| 112 |
+
S 56.0938 53.1433 53.3311
|
| 113 |
+
S 56.1379 53.0451 53.3184
|
| 114 |
+
S 56.2984 52.9147 53.3479
|
| 115 |
+
S 56.4445 52.7901 53.4620
|
| 116 |
+
S 56.4740 52.6894 53.5212
|
| 117 |
+
S 56.4111 52.6073 53.7449
|
| 118 |
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S 56.3331 52.5409 54.0107
|
| 119 |
+
S 56.2185 52.5115 54.2053
|
5v3h_ligand_native_745/MCpath46.xyz
ADDED
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| 1 |
+
1303
|
| 2 |
+
1303
|
| 3 |
+
S 54.3295 53.1498 54.3408
|
| 4 |
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S 54.3014 53.1352 54.3686
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| 5 |
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S 54.2238 53.0973 54.4254
|
| 6 |
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S 54.1545 53.0350 54.4518
|
| 7 |
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S 54.1660 53.1018 54.4466
|
| 8 |
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S 54.2714 53.0997 54.3290
|
| 9 |
+
S 54.3597 53.1770 54.3219
|
| 10 |
+
S 54.4490 53.2416 54.3728
|
| 11 |
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S 54.4862 53.2790 54.3765
|
| 12 |
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S 54.4474 53.3216 54.3880
|
| 13 |
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S 54.5020 53.3338 54.4608
|
| 14 |
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S 54.5712 53.4206 54.4976
|
| 15 |
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S 54.5987 53.4000 54.4630
|
| 16 |
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S 54.5425 53.3534 54.3330
|
| 17 |
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S 54.4327 53.3258 54.2824
|
| 18 |
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S 54.3475 53.3011 54.3507
|
| 19 |
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S 54.4018 53.3240 54.3596
|
| 20 |
+
S 54.4332 53.4502 54.4410
|
| 21 |
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S 54.4955 53.4648 54.3771
|
| 22 |
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S 54.4198 53.4271 54.4187
|
| 23 |
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S 54.4149 53.4567 54.4408
|
| 24 |
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S 54.4655 53.4572 54.4854
|
| 25 |
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S 54.4944 53.4737 54.6091
|
| 26 |
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S 54.5160 53.5428 54.5761
|
| 27 |
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S 54.6025 53.6048 54.4627
|
| 28 |
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S 54.7333 53.6447 54.4150
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| 29 |
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S 54.8823 53.7280 54.4726
|
| 30 |
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S 55.0770 53.6829 54.4254
|
| 31 |
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S 55.3049 53.5806 54.5195
|
| 32 |
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S 55.5274 53.5749 54.5810
|
| 33 |
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S 55.7238 53.5988 54.4719
|
| 34 |
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S 55.8775 53.5872 54.4053
|
| 35 |
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S 56.0178 53.5306 54.3172
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| 36 |
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S 55.9959 53.4730 54.2055
|
| 37 |
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S 55.9879 53.4950 54.1549
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| 38 |
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S 55.9426 53.5478 54.1565
|
| 39 |
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S 55.9962 53.6070 54.1731
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| 40 |
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S 56.0661 53.5568 54.2846
|
| 41 |
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S 56.1135 53.5105 54.4731
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| 42 |
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S 56.1830 53.4819 54.6178
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| 43 |
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S 56.1514 53.4404 54.7419
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| 44 |
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S 56.1555 53.4205 54.8225
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| 45 |
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S 56.1159 53.3928 54.8597
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| 46 |
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S 56.0357 53.2550 54.8504
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| 47 |
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S 56.0956 53.1228 54.8511
|
| 48 |
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S 56.1301 53.0380 54.7820
|
| 49 |
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S 56.1102 52.9880 54.6670
|
| 50 |
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S 56.1674 53.0543 54.5210
|
| 51 |
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S 56.1554 53.1117 54.5681
|
| 52 |
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S 56.2367 53.2122 54.5634
|
| 53 |
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S 56.4092 53.3230 54.5887
|
| 54 |
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S 56.6358 53.3546 54.6406
|
| 55 |
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S 56.8052 53.4895 54.7799
|
| 56 |
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S 56.9217 53.6305 54.9076
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| 57 |
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S 57.0784 53.6911 54.9784
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| 58 |
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S 57.1211 53.6680 55.0277
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| 59 |
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S 57.1784 53.6649 55.0129
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| 60 |
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S 57.2091 53.5832 54.8932
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| 61 |
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S 57.2174 53.5046 54.8986
|
| 62 |
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S 57.3059 53.5355 54.8285
|
| 63 |
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S 57.3914 53.5950 54.8492
|
| 64 |
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S 57.5001 53.7054 54.8850
|
| 65 |
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S 57.6303 53.7815 54.9165
|
| 66 |
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S 57.7345 53.7566 54.9449
|
| 67 |
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S 57.7129 53.6911 54.9075
|
| 68 |
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S 57.6542 53.8300 54.9003
|
| 69 |
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S 57.5643 53.9279 54.8346
|
| 70 |
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S 57.4644 54.0812 54.8903
|
| 71 |
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S 57.3103 54.2378 54.8983
|
| 72 |
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S 57.1572 54.3900 54.8473
|
| 73 |
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S 57.1194 54.3845 54.8903
|
| 74 |
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S 57.0636 54.4556 54.8785
|
| 75 |
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S 57.0028 54.5776 54.8524
|
| 76 |
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S 57.0676 54.5816 54.8418
|
| 77 |
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S 57.0358 54.4764 54.9092
|
| 78 |
+
S 57.0587 54.4564 54.9436
|
| 79 |
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S 57.0337 54.4558 54.9315
|
| 80 |
+
S 57.0875 54.3881 54.9093
|
| 81 |
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S 57.2595 54.3457 54.8813
|
| 82 |
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S 57.5112 54.4711 54.8294
|
| 83 |
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S 57.6230 54.6076 54.8144
|
| 84 |
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S 57.6984 54.6570 54.7734
|
| 85 |
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S 57.6461 54.6909 54.6999
|
| 86 |
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S 57.5669 54.6713 54.5939
|
| 87 |
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S 57.5711 54.6691 54.6382
|
| 88 |
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S 57.6160 54.6699 54.5943
|
| 89 |
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S 57.6195 54.6017 54.7009
|
| 90 |
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S 57.5146 54.5829 54.7417
|
| 91 |
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S 57.4241 54.4890 54.7236
|
| 92 |
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S 57.2751 54.4619 54.6737
|
| 93 |
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S 57.2260 54.4601 54.6541
|
| 94 |
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S 57.2300 54.4210 54.5154
|
| 95 |
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S 57.3092 54.4252 54.4916
|
| 96 |
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S 57.2398 54.4667 54.4881
|
| 97 |
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S 57.2232 54.5304 54.4705
|
| 98 |
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S 57.2914 54.4842 54.4049
|
| 99 |
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S 57.2888 54.4558 54.4525
|
| 100 |
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S 57.3365 54.3510 54.5018
|
| 101 |
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S 57.3125 54.3783 54.6254
|
| 102 |
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S 57.3345 54.3484 54.7794
|
| 103 |
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S 57.4117 54.3886 54.7816
|
| 104 |
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S 57.5210 54.4289 54.5883
|
| 105 |
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S 57.5581 54.4263 54.5181
|
| 106 |
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S 57.5640 54.2919 54.5251
|
| 107 |
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S 57.5588 54.3089 54.5540
|
| 108 |
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S 57.6008 54.4232 54.4976
|
| 109 |
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S 57.5808 54.6019 54.4505
|
| 110 |
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S 57.4318 54.6217 54.4632
|
| 111 |
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S 57.3053 54.6626 54.5655
|
| 112 |
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S 57.2677 54.5844 54.5582
|
| 113 |
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S 57.2111 54.5421 54.4997
|
| 114 |
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S 57.2766 54.5451 54.5842
|
| 115 |
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S 57.4248 54.5239 54.6278
|
| 116 |
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S 57.4854 54.5906 54.6531
|
| 117 |
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S 57.4604 54.6461 54.6129
|
| 118 |
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S 57.4738 54.5856 54.5709
|
| 119 |
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S 57.4856 54.4335 54.6040
|
| 120 |
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S 57.5200 54.4001 54.6032
|
| 121 |
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S 57.6392 54.3929 54.6242
|
| 122 |
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S 57.5958 54.5133 54.6161
|
| 123 |
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S 57.5115 54.6361 54.5311
|
| 124 |
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S 57.5844 54.6533 54.4332
|
| 125 |
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|
5v3h_ligand_native_745/MCpath48.xyz
ADDED
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| 1 |
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426
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| 2 |
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426
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| 3 |
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| 219 |
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|
5v3h_ligand_native_745/MCpath49.xyz
ADDED
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| 1 |
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332
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332
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|
| 306 |
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S 57.4517 50.8458 58.6496
|
| 307 |
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S 57.3900 50.8721 58.6527
|
| 308 |
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S 57.3534 50.9393 58.6536
|
| 309 |
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S 57.3170 51.0966 58.7052
|
| 310 |
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S 57.3289 51.1199 58.7579
|
| 311 |
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S 57.2919 51.0844 58.7825
|
| 312 |
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S 57.2896 51.0580 58.7911
|
| 313 |
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S 57.2389 51.0871 58.8283
|
| 314 |
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S 57.2643 51.1451 58.7981
|
| 315 |
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S 57.3504 51.1500 58.7174
|
| 316 |
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S 57.4285 51.3138 58.6780
|
| 317 |
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S 57.5753 51.5001 58.6666
|
| 318 |
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S 57.6694 51.6087 58.5849
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| 319 |
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S 57.7460 51.6952 58.5552
|
| 320 |
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S 57.8237 51.8094 58.4486
|
| 321 |
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S 57.8414 51.8733 58.2940
|
| 322 |
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S 57.8441 51.9230 58.2643
|
| 323 |
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S 57.7572 51.9064 58.2421
|
| 324 |
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S 57.7238 51.7955 58.2706
|
| 325 |
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S 57.6285 51.6818 58.2901
|
| 326 |
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S 57.4714 51.5095 58.3121
|
| 327 |
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S 57.3096 51.4184 58.3858
|
| 328 |
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S 57.1722 51.3539 58.5163
|
| 329 |
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S 57.0684 51.3407 58.5701
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| 330 |
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S 56.9473 51.3129 58.6843
|
| 331 |
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S 56.7527 51.4015 58.8126
|
| 332 |
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S 56.4492 51.4221 58.8903
|
| 333 |
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S 56.1912 51.2806 58.8937
|
| 334 |
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S 55.9438 51.2260 58.8240
|
5v3h_ligand_native_745/MCpath5.xyz
ADDED
|
@@ -0,0 +1,777 @@
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| 1 |
+
775
|
| 2 |
+
775
|
| 3 |
+
S 54.3877 53.1770 54.4029
|
| 4 |
+
S 54.4026 53.2270 54.3565
|
| 5 |
+
S 54.4322 53.1793 54.3654
|
| 6 |
+
S 54.4473 53.0139 54.4215
|
| 7 |
+
S 54.4505 52.9542 54.4592
|
| 8 |
+
S 54.4334 52.9731 54.4842
|
| 9 |
+
S 54.3878 53.0816 54.4227
|
| 10 |
+
S 54.3283 53.0565 54.3160
|
| 11 |
+
S 54.3769 52.9832 54.3893
|
| 12 |
+
S 54.3843 53.0249 54.4246
|
| 13 |
+
S 54.3251 53.0695 54.3778
|
| 14 |
+
S 54.2264 53.1830 54.3611
|
| 15 |
+
S 54.2090 53.1836 54.3627
|
| 16 |
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|
5v3h_ligand_native_745/MCpath50.xyz
ADDED
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| 1 |
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557
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| 488 |
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| 490 |
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| 493 |
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| 494 |
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| 496 |
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| 497 |
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S 69.3852 62.6098 55.5400
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| 498 |
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| 500 |
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S 69.5431 62.7427 55.1020
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| 504 |
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S 69.3898 62.9872 55.1728
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S 69.4357 63.0476 55.2161
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S 69.5600 63.1333 55.1418
|
| 507 |
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S 69.6109 63.2207 55.0140
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| 508 |
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S 69.6644 63.2434 54.9094
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| 509 |
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S 69.6794 63.2073 54.7162
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| 510 |
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S 69.7013 63.0368 54.6896
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| 511 |
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S 69.5871 62.9441 54.7663
|
| 512 |
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S 69.5882 62.8520 54.9418
|
| 513 |
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S 69.6116 62.8135 55.1037
|
| 514 |
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S 69.6014 62.9778 55.0598
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| 515 |
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S 69.5987 63.1851 55.0846
|
| 516 |
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S 69.6349 63.4084 55.1567
|
| 517 |
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S 69.7136 63.5884 55.2279
|
| 518 |
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S 69.9545 63.7365 55.2224
|
| 519 |
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S 70.2531 63.7704 55.1764
|
| 520 |
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S 70.5830 63.8458 55.2247
|
| 521 |
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S 70.7189 63.9776 55.4198
|
| 522 |
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S 70.8344 64.0043 55.5109
|
| 523 |
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S 70.9591 63.9856 55.4966
|
| 524 |
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S 71.0653 63.9374 55.5158
|
| 525 |
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S 71.1516 63.8813 55.6250
|
| 526 |
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S 71.2273 63.9260 55.7794
|
| 527 |
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S 71.2784 64.0327 55.8197
|
| 528 |
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S 71.2594 64.1418 55.7941
|
| 529 |
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S 71.2739 64.3006 55.8326
|
| 530 |
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S 71.4726 64.3150 55.9971
|
| 531 |
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S 71.5987 64.3985 56.0058
|
| 532 |
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S 71.7169 64.5668 55.9071
|
| 533 |
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S 71.8094 64.7049 55.8612
|
| 534 |
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S 71.8414 64.8007 55.8450
|
| 535 |
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S 71.9233 64.8554 55.7470
|
| 536 |
+
S 72.0527 64.8265 55.5995
|
| 537 |
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S 72.0704 64.8792 55.4268
|
| 538 |
+
S 72.0343 64.8557 55.3186
|
| 539 |
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S 72.0197 64.7816 55.2708
|
| 540 |
+
S 72.0137 64.7613 55.3180
|
| 541 |
+
S 71.9642 64.7897 55.4188
|
| 542 |
+
S 71.9667 64.7597 55.5698
|
| 543 |
+
S 71.9689 64.7532 55.6535
|
| 544 |
+
S 71.9938 64.7540 55.6637
|
| 545 |
+
S 72.0781 64.6450 55.6356
|
| 546 |
+
S 72.1678 64.6399 55.5975
|
| 547 |
+
S 72.2489 64.6351 55.6148
|
| 548 |
+
S 72.3904 64.6434 55.4953
|
| 549 |
+
S 72.5076 64.5837 55.5370
|
| 550 |
+
S 72.6427 64.5953 55.6179
|
| 551 |
+
S 72.7168 64.5916 55.7293
|
| 552 |
+
S 72.7974 64.5298 55.7513
|
| 553 |
+
S 72.9897 64.4691 55.8052
|
| 554 |
+
S 73.1581 64.4741 55.8857
|
| 555 |
+
S 73.2503 64.5211 55.9400
|
| 556 |
+
S 73.3010 64.6621 56.0910
|
| 557 |
+
S 73.4144 64.6642 56.2733
|
| 558 |
+
S 73.5093 64.7242 56.4496
|
| 559 |
+
S 73.5523 64.7893 56.6275
|
5v3h_ligand_native_745/MCpath6.xyz
ADDED
|
@@ -0,0 +1,7 @@
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+
5
|
| 2 |
+
5
|
| 3 |
+
S 54.3470 53.1787 54.2838
|
| 4 |
+
S 54.2415 53.1656 54.2667
|
| 5 |
+
S 54.1956 53.1251 54.2851
|
| 6 |
+
S 54.1562 52.9911 54.2752
|
| 7 |
+
S 54.1788 52.8960 54.3248
|
5v3h_ligand_native_745/MCpath7.xyz
ADDED
|
@@ -0,0 +1,268 @@
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| 1 |
+
266
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| 2 |
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266
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| 3 |
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| 4 |
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S 60.5984 49.7242 58.5408
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| 265 |
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S 60.6997 49.5110 58.6773
|
| 266 |
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S 60.6608 49.3688 58.7867
|
| 267 |
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S 60.5977 49.1789 58.8445
|
| 268 |
+
S 60.4615 48.9259 58.7977
|
5v3h_ligand_native_745/MCpath8.xyz
ADDED
|
@@ -0,0 +1,167 @@
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| 1 |
+
165
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| 2 |
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165
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| 3 |
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| 33 |
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| 70 |
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| 74 |
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| 75 |
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| 76 |
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| 132 |
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| 166 |
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| 167 |
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5v3h_ligand_native_745/MCpath9.xyz
ADDED
|
@@ -0,0 +1,468 @@
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| 1 |
+
466
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| 2 |
+
466
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| 3 |
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|
5v3h_ligand_native_745/Pro_lig1.h5md
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
+
oid sha256:ef849ca5267e3c498342cc87c575f082777d32328dace9fa08cc2c996eaefd5e
|
| 3 |
+
size 575952
|
5v3h_ligand_native_745/Pro_lig10.h5md
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
|
| 2 |
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oid sha256:efdcc845c214a4e90ad87779d0d3f399a7cf4cdbedb12940bad864f77cdbdd04
|
| 3 |
+
size 22087112
|
5v3h_ligand_native_745/Pro_lig11.h5md
ADDED
|
@@ -0,0 +1,3 @@
|
|
|
|
|
|
|
|
|
|
|
|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
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| 2 |
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oid sha256:f3e30dc361fca97f7c8cf91d02478e1856c2d7828aa791ff9aa3e3f1fa319456
|
| 3 |
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size 408672
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