├── .gitignore ├── README.ipynb ├── README.md ├── data ├── ligand.pdbqt ├── receptor.pdbqt └── receptor_config.txt ├── logs └── .gitkeep ├── vina_job.submit ├── vina_multi.sh ├── vina_multijob.submit └── vina_run.sh /.gitignore: -------------------------------------------------------------------------------- 1 | .ipynb_checkpoints/ 2 | -------------------------------------------------------------------------------- /README.ipynb: -------------------------------------------------------------------------------- 1 | { 2 | "cells": [ 3 | { 4 | "cell_type": "markdown", 5 | "id": "72cfb2ff-9f0b-47a1-a4d3-eac9f273e18a", 6 | "metadata": {}, 7 | "source": [ 8 | "# Running a Molecule Docking Job with AutoDock Vina\n", 9 | "\n", 10 | "[AutoDock Vina](http://vina.scripps.edu/) is a molecular docking program useful for computer aided drug design. In this tutorial, we will learn how to run AutoDock Vina on the OSPool. " 11 | ] 12 | }, 13 | { 14 | "cell_type": "markdown", 15 | "id": "5490a5e6-f5f8-476b-9333-cc874192cb3c", 16 | "metadata": {}, 17 | "source": [ 18 | "## Tutorial Files \n", 19 | "\n", 20 | "First, run the `ls` command to see our files" 21 | ] 22 | }, 23 | { 24 | "cell_type": "code", 25 | "execution_count": null, 26 | "id": "6c60fd7c-2a4d-4736-a945-b1340c426996", 27 | "metadata": {}, 28 | "outputs": [], 29 | "source": [ 30 | "ls" 31 | ] 32 | }, 33 | { 34 | "cell_type": "markdown", 35 | "id": "5c78d12a-1f8a-42cc-9b95-e1b99ad6dc47", 36 | "metadata": {}, 37 | "source": [ 38 | "Then run it on the data directory: " 39 | ] 40 | }, 41 | { 42 | "cell_type": "code", 43 | "execution_count": null, 44 | "id": "570742c0-8751-4b97-a72e-3e3bbb3ffdbc", 45 | "metadata": {}, 46 | "outputs": [], 47 | "source": [ 48 | "ls data/" 49 | ] 50 | }, 51 | { 52 | "cell_type": "markdown", 53 | "id": "3fd8d5ff-f488-4578-a096-4468b8bba519", 54 | "metadata": {}, 55 | "source": [ 56 | "Here are what the different files and directories are for: \n", 57 | "\n", 58 | "```\n", 59 | "data/\n", 60 | " receptor_config.txt # Configuration file (input)\n", 61 | " receptor.pdbqt # Receptor coordinates and atomic charges (input)\n", 62 | " ligand.pdbqt # Ligand coordinates and atomic charges (input)\n", 63 | "logs/ # Empty folder for job log files\n", 64 | "vina_job.submit # Job submission file\n", 65 | "vina_run.sh # Execution script\n", 66 | "```\n", 67 | "\n", 68 | "We need to download the AutoDock program separately into the this directory as well. Go \n", 69 | "to the [AutoDock Vina website](http://vina.scripps.edu/) and click on the Download link at the top of the page. This will then lead you to the [GitHub Downloads page](https://github.com/ccsb-scripps/AutoDock-Vina/releases). \n", 70 | "Download the Linux x86_64 version of the program; you can do this directly to the current directory by using the `wget` command and the download link. If you use the \n", 71 | "`-O` option shown below, it will rename the program to match what is used in the rest of the guide. \n" 72 | ] 73 | }, 74 | { 75 | "cell_type": "code", 76 | "execution_count": null, 77 | "id": "3ac4682b-167e-4f80-9854-969ec1304e98", 78 | "metadata": {}, 79 | "outputs": [], 80 | "source": [ 81 | "wget https://github.com/ccsb-scripps/AutoDock-Vina/releases/download/v1.2.5/vina_1.2.5_linux_x86_64 -O vina" 82 | ] 83 | }, 84 | { 85 | "cell_type": "markdown", 86 | "id": "e23fee25-afb7-4a74-b46f-318b5a5392c7", 87 | "metadata": {}, 88 | "source": [ 89 | "Once downloaded, we also need to give the program executable permissions. We can test that \n", 90 | "it worked by running vina with the help flag: " 91 | ] 92 | }, 93 | { 94 | "cell_type": "code", 95 | "execution_count": null, 96 | "id": "86580ed5-3809-4047-b3a1-d841c2e77ee5", 97 | "metadata": {}, 98 | "outputs": [], 99 | "source": [ 100 | "chmod +x vina" 101 | ] 102 | }, 103 | { 104 | "cell_type": "code", 105 | "execution_count": null, 106 | "id": "508c224e-3243-45bb-bfb7-34c417228b34", 107 | "metadata": {}, 108 | "outputs": [], 109 | "source": [ 110 | "./vina --help" 111 | ] 112 | }, 113 | { 114 | "cell_type": "markdown", 115 | "id": "ef2f2eee-9e24-4195-afee-eafcdfbf52ad", 116 | "metadata": {}, 117 | "source": [ 118 | "## Files Need to Submit the Job\n", 119 | "\n", 120 | "The file `vina_job.submit` is the job submission file and contains the description of the job in HTCondor language. Specifically, it includes an \"executable\" (the script HTCondor will use in the job to run vina), a list of the files needed to run the job (shown in \"transfer_input_files\"), and indications of where to write logging information and what resources and requirements the job needs. " 121 | ] 122 | }, 123 | { 124 | "cell_type": "code", 125 | "execution_count": null, 126 | "id": "f903c638-a835-4332-8c12-24697fd8749c", 127 | "metadata": {}, 128 | "outputs": [], 129 | "source": [ 130 | "cat vina_job.submit" 131 | ] 132 | }, 133 | { 134 | "cell_type": "markdown", 135 | "id": "614ebc16-d3de-424d-a332-0fec8b0bb453", 136 | "metadata": {}, 137 | "source": [ 138 | "Next we see the execution script `vina_run.sh`. The execution script and its commands are executed on a worker node out in the Open Science Pool. " 139 | ] 140 | }, 141 | { 142 | "cell_type": "code", 143 | "execution_count": null, 144 | "id": "0cf11eff-d05d-403f-bf82-ee4656ef1294", 145 | "metadata": {}, 146 | "outputs": [], 147 | "source": [ 148 | "cat vina_run.sh" 149 | ] 150 | }, 151 | { 152 | "cell_type": "markdown", 153 | "id": "169b8946-c67a-41bc-8f8b-3cf6f1566499", 154 | "metadata": {}, 155 | "source": [ 156 | "## Submit the Docking Job\n", 157 | "\t\t\n", 158 | "We submit the job using `condor_submit` command as follows" 159 | ] 160 | }, 161 | { 162 | "cell_type": "code", 163 | "execution_count": null, 164 | "id": "83d9f7b6-a397-4163-8644-8841834d73ee", 165 | "metadata": {}, 166 | "outputs": [], 167 | "source": [ 168 | "condor_submit vina_job.submit" 169 | ] 170 | }, 171 | { 172 | "cell_type": "markdown", 173 | "id": "5407b5e1-c1da-489b-8f5f-c0d06da2954e", 174 | "metadata": {}, 175 | "source": [ 176 | "Now you have submitted the AutoDock Vina job on the OSPool. The present job should be finished quickly (less than 10 mins). You can check the status of the submitted job by using the`condor_q` command as follows:\n" 177 | ] 178 | }, 179 | { 180 | "cell_type": "code", 181 | "execution_count": null, 182 | "id": "a7ad8d9a-5873-4ceb-9108-ef205e78c2c0", 183 | "metadata": {}, 184 | "outputs": [], 185 | "source": [ 186 | "condor_q" 187 | ] 188 | }, 189 | { 190 | "cell_type": "markdown", 191 | "id": "169da6b9-c94c-4b97-aaef-8be4ba1441fd", 192 | "metadata": {}, 193 | "source": [ 194 | "After job completion, you will see the output file `receptor-ligand.pdbqt`. " 195 | ] 196 | }, 197 | { 198 | "cell_type": "code", 199 | "execution_count": null, 200 | "id": "4646ac44-0777-47e1-ab35-d82e84b5c22a", 201 | "metadata": {}, 202 | "outputs": [], 203 | "source": [ 204 | "ls" 205 | ] 206 | }, 207 | { 208 | "cell_type": "markdown", 209 | "id": "39c92f89-72cc-4ea7-b38d-d93fae58c7f7", 210 | "metadata": {}, 211 | "source": [ 212 | "## Next Steps\n", 213 | "\n", 214 | "After running this example, you may want to scale up to testing multiple molecules or ligands. \n", 215 | "\n", 216 | "### What to Consider\n", 217 | "\n", 218 | "- Decide how many docking runs you want to try per job. If one molecule can be tested in a few seconds, you can probably run a few hundred in a job that runs in about an hour. \n", 219 | "- How should you divide up the input data in this case? Do you need individual input files for each molecule, or can you use one to share? Should the molecule files all get copied to every job or just the jobs where they're needed? You can separate groups of files by putting them in separate directories or tar.gz files to help with this. \n", 220 | "- Look at [this guide](https://portal.osg-htc.org/documentation/htc_workloads/submitting_workloads/submit-multiple-jobs/) to see different ways that you can use HTCondor to submit multiple jobs at once. \n", 221 | "\n", 222 | "If you want to use a different (or additional) docking programs, you can include them in the same job by downloading and including those software files in your job submission. \n", 223 | "\n", 224 | "### Example of Multiple Runs\n", 225 | "\n", 226 | "Included in this directory is *one* approach to analyzing multiple ligands, by \n", 227 | "submitting multiple jobs. For the given files we are assuming that there are multiple \n", 228 | "directories with input files we want to run (`run01`, `run02`, `run03`, etc.) and each \n", 229 | "job will process all of the ligands in one of these \"run\" folders. \n", 230 | "\n", 231 | "In the script, `vina_multi.sh`, we had added a for loop in order to process all \n", 232 | "the ligands that were included with the job. We will also place those results into \n", 233 | "a single folder to make it easier to organize them back on the access point: \n", 234 | "\n", 235 | "\t#!/bin/bash\n", 236 | "\t\n", 237 | "\t# Make a directory for results\n", 238 | "\tmkdir results\n", 239 | "\t\n", 240 | "\t# Run vina on multiple ligands\n", 241 | "\tfor LIGAND in *ligand.pdbqt\n", 242 | "\tdo \n", 243 | "\t./vina --config receptor_config.txt \\\n", 244 | "\t\t --ligand ${LIGAND} --out results/receptor-${LIGAND}\n", 245 | "\tdone\n", 246 | "\n", 247 | "Note that this for loop assumes that all of the ligands have a naming scheme that we can \n", 248 | "match using a wildcard (the `*` symbol). \n", 249 | "\n", 250 | "In the submit file, we have added a line called `transfer_output_files` to transfer \n", 251 | "back the results folder from each job. We have also replaced the single input directory `data` with \n", 252 | "a variable `inputdir`, representing one of the `run` directories. The value \n", 253 | "of that variable is set via the queue statement \n", 254 | "at the end of the submit file: \n", 255 | "\n", 256 | "\texecutable = vina_multi.sh\n", 257 | "\t\n", 258 | "\ttransfer_input_files = $(inputdir)/, vina\n", 259 | "\ttransfer_output_files = results\n", 260 | "\t\n", 261 | "\t# ... other job options\n", 262 | "\t\n", 263 | "\tqueue inputdir matching run*\n" 264 | ] 265 | }, 266 | { 267 | "cell_type": "markdown", 268 | "id": "97cae2cd-a3d3-46b8-9f29-c0ec56eecff3", 269 | "metadata": {}, 270 | "source": [ 271 | "## Let's try it\n", 272 | "\n", 273 | "Let's just copy our existing data to set up the scenario described above: " 274 | ] 275 | }, 276 | { 277 | "cell_type": "code", 278 | "execution_count": null, 279 | "id": "290e191b-3b87-4cf3-bdf5-62be7f635602", 280 | "metadata": {}, 281 | "outputs": [], 282 | "source": [ 283 | "for run in 1 2\n", 284 | "do \n", 285 | " # set up run directory with receptor\n", 286 | " mkdir run${run}\n", 287 | " cp data/receptor_config.txt run${run}\n", 288 | " cp data/receptor.pdbqt run${run}\n", 289 | " # add ligands to run dir\n", 290 | " for ligand in 1 2 3\n", 291 | " do\n", 292 | " cp data/ligand.pdbqt run${run}/${run}${ligand}-ligand.pdbqt\n", 293 | " done\n", 294 | "done" 295 | ] 296 | }, 297 | { 298 | "cell_type": "markdown", 299 | "id": "8fa12ab0-d847-4c84-a137-fbd189b16f71", 300 | "metadata": {}, 301 | "source": [ 302 | "Then we can use our `vina_multijob.submit` file to submit two jobs, one for each run folder: " 303 | ] 304 | }, 305 | { 306 | "cell_type": "code", 307 | "execution_count": null, 308 | "id": "ac13eb41-b5e0-4512-b39a-8f0bfb8e6d9e", 309 | "metadata": {}, 310 | "outputs": [], 311 | "source": [ 312 | "condor_submit vina_multijob.submit" 313 | ] 314 | }, 315 | { 316 | "cell_type": "markdown", 317 | "id": "ca1dd2b8-be64-4005-b93f-256f5d9c2451", 318 | "metadata": {}, 319 | "source": [ 320 | "Once finished, we should see multiple results in the `results` folder: " 321 | ] 322 | }, 323 | { 324 | "cell_type": "code", 325 | "execution_count": null, 326 | "id": "8b6de25b-73c7-4dd2-8a17-c02302c60142", 327 | "metadata": {}, 328 | "outputs": [], 329 | "source": [ 330 | "ls results" 331 | ] 332 | }, 333 | { 334 | "cell_type": "code", 335 | "execution_count": null, 336 | "id": "58961fbc-013e-42b5-a0a0-d495f51a9526", 337 | "metadata": {}, 338 | "outputs": [], 339 | "source": [] 340 | } 341 | ], 342 | "metadata": { 343 | "kernelspec": { 344 | "display_name": "Bash", 345 | "language": "bash", 346 | "name": "bash" 347 | }, 348 | "language_info": { 349 | "codemirror_mode": "shell", 350 | "file_extension": ".sh", 351 | "mimetype": "text/x-sh", 352 | "name": "bash" 353 | } 354 | }, 355 | "nbformat": 4, 356 | "nbformat_minor": 5 357 | } 358 | -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- 1 | --- 2 | ospool: 3 | path: software_examples/drug_discovery/tutorial-AutoDockVina/README.md 4 | --- 5 | 6 | # Running a Molecule Docking Job with AutoDock Vina 7 | 8 | [AutoDock Vina](http://vina.scripps.edu/) is a molecular docking program useful for computer aided drug design. In this tutorial, we will learn how to run AutoDock Vina on the OSPool. 9 | 10 | ## Tutorial Files 11 | 12 | It is easiest to start with the `git clone` command to download the materials for this tutorial. Type: 13 | 14 | $ git clone https://github.com/OSGConnect/tutorial-AutoDockVina 15 | 16 | This will create a directory `tutorial-AutoDockVina`. Change into the directory and look at the available files: 17 | 18 | $ cd tutorial-AutoDockVina 19 | $ ls 20 | $ ls data/ 21 | 22 | You should see the following: 23 | 24 | data/ 25 | receptor_config.txt # Configuration file (input) 26 | receptor.pdbqt # Receptor coordinates and atomic charges (input) 27 | ligand.pdbqt # Ligand coordinates and atomic charges (input) 28 | logs/ # Empty folder for job log files 29 | vina_job.submit # Job submission file 30 | vina_run.sh # Execution script 31 | 32 | We need to download the AutoDock program separately into the this directory as well. Go 33 | to the [AutoDock Vina website](http://vina.scripps.edu/) and click on the Download link at the top of the page. This will then lead you to the [GitHub Downloads page](https://github.com/ccsb-scripps/AutoDock-Vina/releases). 34 | Download the Linux x86_64 version of the program; you can do this directly to the current directory by using the `wget` command and the download link. If you use the 35 | `-O` option shown below, it will rename the program to match what is used in the rest of the guide. 36 | 37 | $ wget https://github.com/ccsb-scripps/AutoDock-Vina/releases/download/v1.2.5/vina_1.2.5_linux_x86_64 -O vina 38 | 39 | Once downloaded, we also need to give the program executable permissions. We can test that 40 | it worked by running vina with the help flag: 41 | 42 | $ chmod +x vina 43 | $ ./vina --help 44 | 45 | ## Files Need to Submit the Job 46 | 47 | The file `vina_job.submit` is the job submission file and contains the description of the job in HTCondor language. Specifically, it includes an "executable" (the script HTCondor will use in the job to run vina), a list of the files needed to run the job (shown in "transfer_input_files"), and indications of where to write logging information and what resources and requirements the job needs. 48 | 49 | **Change needed:** If your downloaded program file has a different name, change the name in the `transfer_input_files` line below. 50 | 51 | executable = vina_run.sh 52 | 53 | transfer_input_files = data/, vina 54 | should_transfer_files = Yes 55 | when_to_transfer_output = ON_EXIT 56 | 57 | output = logs/job.$(Cluster).$(Process).out 58 | error = logs/job.$(Cluster).$(Process).error 59 | log = logs/job.$(Cluster).$(Process).log 60 | 61 | request_cpus = 1 62 | request_memory = 1GB 63 | request_disk = 512MB 64 | 65 | queue 1 66 | 67 | Next we see the execution script `vina_run.sh`. The execution script and its commands are executed on a worker node out in the Open Science Pool. 68 | 69 | **Change needed:** If your vina program file has a different name, change it in the 70 | script below: 71 | 72 | #!/bin/bash 73 | 74 | # Run vina 75 | ./vina --config receptor_config.txt \ 76 | --ligand ligand.pdbqt --out receptor-ligand.pdbqt 77 | 78 | ## Submit the Docking Job 79 | 80 | We submit the job using `condor_submit` command as follows 81 | 82 | $ condor_submit vina_job.submit 83 | 84 | Now you have submitted the AutoDock Vina job on the OSPool. The present job should be finished quickly (less than 10 mins). You can check the status of the submitted job by using the`condor_q` command as follows: 85 | 86 | $ condor_q 87 | 88 | After job completion, you will see the output file `receptor-ligand.pdbqt`. 89 | 90 | ## Next Steps 91 | 92 | After running this example, you may want to scale up to testing multiple molecules or ligands. 93 | 94 | ### What to Consider 95 | 96 | - Decide how many docking runs you want to try per job. If one molecule can be tested in a few seconds, you can probably run a few hundred in a job that runs in about an hour. 97 | - How should you divide up the input data in this case? Do you need individual input files for each molecule, or can you use one to share? Should the molecule files all get copied to every job or just the jobs where they're needed? You can separate groups of files by putting them in separate directories or tar.gz files to help with this. 98 | - Look at [this guide](https://portal.osg-htc.org/documentation/htc_workloads/submitting_workloads/submit-multiple-jobs/) to see different ways that you can use HTCondor to submit multiple jobs at once. 99 | 100 | If you want to use a different (or additional) docking programs, you can include them in the same job by downloading and including those software files in your job submission. 101 | 102 | ### Example of Multiple Runs 103 | 104 | Included in this directory is *one* approach to analyzing multiple ligands, by 105 | submitting multiple jobs. For the given files we are assuming that there are multiple 106 | directories with input files we want to run (`run01`, `run02`, `run03`, etc.) and each 107 | job will process all of the ligands in one of these "run" folders. 108 | 109 | In the script, `vina_multi.sh`, we had added a for loop in order to process all 110 | the ligands that were included with the job. We will also place those results into 111 | a single folder to make it easier to organize them back on the access point: 112 | 113 | #!/bin/bash 114 | 115 | # Make a directory for results 116 | mkdir results 117 | 118 | # Run vina on multiple ligands 119 | for LIGAND in *ligand.pdbqt 120 | do 121 | ./vina --config receptor_config.txt \ 122 | --ligand ${LIGAND} --out results/receptor-${LIGAND} 123 | done 124 | 125 | Note that this for loop assumes that all of the ligands have a naming scheme that we can 126 | match using a wildcard (the `*` symbol). 127 | 128 | In the submit file, we have added a line called `transfer_output_files` to transfer 129 | back the results folder from each job. We have also replaced the single input directory `data` with 130 | a variable `inputdir`, representing one of the `run` directories. The value 131 | of that variable is set via the queue statement 132 | at the end of the submit file: 133 | 134 | executable = vina_multi.sh 135 | 136 | transfer_input_files = $(inputdir)/, vina 137 | transfer_output_files = results 138 | 139 | # ... other job options 140 | 141 | queue inputdir matching run* 142 | 143 | ## Getting Help 144 | 145 | For assistance or questions, please email the OSG User Support team at [support@osg-htc.org](mailto:support@osg-htc.org) or visit the [help desk and community forums](https://portal.osg-htc.org/documentation/). 146 | -------------------------------------------------------------------------------- /data/ligand.pdbqt: -------------------------------------------------------------------------------- 1 | REMARK Name = ZINC03814434 2 | REMARK x y z vdW Elec q Type 3 | REMARK _______ _______ _______ _____ _____ ______ ____ 4 | ROOT 5 | ATOM 1 C LIG 1 1.805 -2.330 1.257 0.00 0.00 +0.148 C 6 | ATOM 2 C LIG 1 1.061 -3.088 0.134 0.00 0.00 +0.107 C 7 | ATOM 3 C LIG 1 -0.478 -2.786 0.279 0.00 0.00 +0.196 C 8 | ATOM 4 C LIG 1 -0.749 -1.472 -0.475 0.00 0.00 +0.115 C 9 | ATOM 5 C LIG 1 -0.430 -1.645 -1.962 0.00 0.00 +0.147 C 10 | ATOM 6 C LIG 1 0.880 -2.413 -2.183 0.00 0.00 +0.234 C 11 | ATOM 7 N LIG 1 0.734 -3.719 -2.776 0.00 0.00 -0.338 N 12 | ATOM 8 C LIG 1 0.406 -3.976 -4.125 0.00 0.00 +0.015 A 13 | ATOM 9 C LIG 1 0.135 -3.050 -5.155 0.00 0.00 +0.052 A 14 | ATOM 10 C LIG 1 -0.170 -3.514 -6.435 0.00 0.00 +0.013 A 15 | ATOM 11 C LIG 1 -0.208 -4.871 -6.707 0.00 0.00 +0.008 A 16 | ATOM 12 C LIG 1 0.062 -5.806 -5.703 0.00 0.00 +0.034 A 17 | ATOM 13 C LIG 1 0.377 -5.396 -4.387 0.00 0.00 +0.004 A 18 | ATOM 14 C LIG 1 0.703 -6.060 -3.178 0.00 0.00 +0.045 A 19 | ATOM 15 C LIG 1 0.746 -7.455 -2.970 0.00 0.00 +0.082 A 20 | ATOM 16 C LIG 1 0.497 -8.647 -3.724 0.00 0.00 +0.188 C 21 | ATOM 17 N LIG 1 0.690 -9.668 -2.795 0.00 0.00 -0.309 N 22 | ATOM 18 H LIG 1 0.551 -10.627 -3.081 0.00 0.00 +0.190 HD 23 | ATOM 19 C LIG 1 1.046 -9.259 -1.449 0.00 0.00 +0.204 C 24 | ATOM 20 O LIG 1 0.165 -8.876 -4.875 0.00 0.00 -0.368 OA 25 | ATOM 21 C LIG 1 1.071 -7.810 -1.646 0.00 0.00 +0.009 A 26 | ATOM 22 C LIG 1 1.298 -6.723 -0.785 0.00 0.00 +0.023 A 27 | ATOM 23 C LIG 1 1.472 -6.801 0.615 0.00 0.00 +0.000 A 28 | ATOM 24 C LIG 1 1.542 -7.870 1.541 0.00 0.00 +0.033 A 29 | ATOM 25 C LIG 1 1.666 -7.632 2.910 0.00 0.00 +0.008 A 30 | ATOM 26 C LIG 1 1.748 -6.337 3.386 0.00 0.00 +0.013 A 31 | ATOM 27 C LIG 1 1.691 -5.247 2.514 0.00 0.00 +0.052 A 32 | ATOM 28 C LIG 1 1.532 -5.444 1.125 0.00 0.00 +0.017 A 33 | ATOM 29 C LIG 1 1.232 -5.341 -0.995 0.00 0.00 +0.056 A 34 | ATOM 30 C LIG 1 0.904 -4.979 -2.301 0.00 0.00 +0.058 A 35 | ATOM 31 N LIG 1 1.363 -4.504 0.075 0.00 0.00 -0.329 N 36 | ATOM 32 O LIG 1 1.663 -2.468 -1.012 0.00 0.00 -0.389 OA 37 | ENDROOT 38 | BRANCH 4 33 39 | ATOM 33 N LIG 1 -2.229 -1.144 -0.314 0.00 0.00 +0.436 N 40 | ATOM 34 H LIG 1 -2.466 -1.117 0.687 0.00 0.00 +0.138 HD 41 | ATOM 35 H LIG 1 -2.752 -1.961 -0.678 0.00 0.00 +0.138 HD 42 | ATOM 36 C LIG 1 -2.717 0.108 -0.945 0.00 0.00 +0.161 C 43 | ENDBRANCH 4 33 44 | BRANCH 3 37 45 | ATOM 37 O LIG 1 -1.418 -3.701 -0.327 0.00 0.00 -0.441 OA 46 | ATOM 38 C LIG 1 -1.718 -4.874 0.428 0.00 0.00 +0.252 C 47 | ENDBRANCH 3 37 48 | TORSDOF 2 49 | -------------------------------------------------------------------------------- /data/receptor.pdbqt: -------------------------------------------------------------------------------- 1 | ATOM 1 N LYS X 1 -22.540 21.959 16.110 1.00 73.84 -0.067 N 2 | ATOM 2 HN1 LYS X 1 -23.515 22.244 16.024 1.00 0.00 0.275 HD 3 | ATOM 3 HN2 LYS X 1 -22.129 22.264 16.992 1.00 0.00 0.275 HD 4 | ATOM 4 HN3 LYS X 1 -22.447 20.952 16.243 1.00 0.00 0.275 HD 5 | ATOM 5 CA LYS X 1 -21.761 22.443 14.932 1.00 73.63 0.274 C 6 | ATOM 6 C LYS X 1 -22.357 21.904 13.632 1.00 72.25 0.249 C 7 | ATOM 7 O LYS X 1 -23.138 20.953 13.646 1.00 71.89 -0.271 OA 8 | ATOM 8 CB LYS X 1 -20.295 22.014 15.061 1.00 74.58 0.042 C 9 | ATOM 9 CG LYS X 1 -19.501 22.784 16.118 1.00 76.75 0.004 C 10 | ATOM 10 CD LYS X 1 -20.197 22.760 17.479 1.00 78.68 0.027 C 11 | ATOM 11 CE LYS X 1 -19.440 23.577 18.524 1.00 79.20 0.229 C 12 | ATOM 12 NZ LYS X 1 -20.142 23.597 19.840 1.00 79.46 -0.079 N 13 | ATOM 13 HZ1 LYS X 1 -19.636 24.143 20.538 1.00 0.00 0.274 HD 14 | ATOM 14 HZ2 LYS X 1 -20.327 22.651 20.174 1.00 0.00 0.274 HD 15 | ATOM 15 HZ3 LYS X 1 -21.103 23.924 19.741 1.00 0.00 0.274 HD 16 | ATOM 16 N ASP X 2 -21.985 22.519 12.514 1.00 70.25 -0.345 N 17 | ATOM 17 HN ASP X 2 -21.335 23.302 12.576 1.00 0.00 0.163 HD 18 | ATOM 18 CA ASP X 2 -22.476 22.111 11.199 1.00 66.67 0.186 C 19 | ATOM 19 C ASP X 2 -22.181 20.639 10.899 1.00 63.36 0.241 C 20 | ATOM 20 O ASP X 2 -21.053 20.172 11.052 1.00 61.27 -0.271 OA 21 | ATOM 21 CB ASP X 2 -21.862 23.000 10.113 1.00 66.82 0.147 C 22 | ATOM 22 CG ASP X 2 -22.289 22.597 8.716 1.00 68.55 0.175 C 23 | ATOM 23 OD1 ASP X 2 -23.510 22.456 8.484 1.00 70.06 -0.648 OA 24 | ATOM 24 OD2 ASP X 2 -21.401 22.426 7.849 1.00 67.19 -0.648 OA 25 | ATOM 25 N VAL X 3 -23.212 19.919 10.463 1.00 59.71 -0.346 N 26 | ATOM 26 HN VAL X 3 -24.115 20.381 10.355 1.00 0.00 0.163 HD 27 | ATOM 27 CA VAL X 3 -23.114 18.499 10.131 1.00 56.00 0.180 C 28 | ATOM 28 C VAL X 3 -22.287 18.204 8.873 1.00 52.21 0.241 C 29 | ATOM 29 O VAL X 3 -21.679 17.138 8.752 1.00 48.89 -0.271 OA 30 | ATOM 30 CB VAL X 3 -24.534 17.885 9.967 1.00 57.09 0.009 C 31 | ATOM 31 CG1 VAL X 3 -25.445 18.859 9.240 1.00 58.03 0.012 C 32 | ATOM 32 CG2 VAL X 3 -24.460 16.580 9.201 1.00 56.81 0.012 C 33 | ATOM 33 N TRP X 4 -22.266 19.159 7.948 1.00 49.07 -0.346 N 34 | ATOM 34 HN TRP X 4 -22.788 20.018 8.119 1.00 0.00 0.163 HD 35 | ATOM 35 CA TRP X 4 -21.528 19.027 6.701 1.00 46.54 0.181 C 36 | ATOM 36 C TRP X 4 -20.100 19.569 6.769 1.00 45.90 0.241 C 37 | ATOM 37 O TRP X 4 -19.271 19.263 5.915 1.00 46.33 -0.271 OA 38 | ATOM 38 CB TRP X 4 -22.288 19.736 5.580 1.00 42.97 0.075 C 39 | ATOM 39 CG TRP X 4 -23.210 18.842 4.818 1.00 39.78 -0.028 A 40 | ATOM 40 CD1 TRP X 4 -22.863 17.840 3.962 1.00 42.12 0.096 A 41 | ATOM 41 CD2 TRP X 4 -24.637 18.869 4.843 1.00 38.17 -0.002 A 42 | ATOM 42 CE2 TRP X 4 -25.091 17.854 3.975 1.00 38.18 0.042 A 43 | ATOM 43 CE3 TRP X 4 -25.576 19.654 5.515 1.00 38.23 0.014 A 44 | ATOM 44 NE1 TRP X 4 -23.989 17.239 3.449 1.00 39.78 -0.365 N 45 | ATOM 45 HE1 TRP X 4 -24.000 16.464 2.786 1.00 0.00 0.165 HD 46 | ATOM 46 CZ2 TRP X 4 -26.438 17.605 3.760 1.00 38.82 0.030 A 47 | ATOM 47 CZ3 TRP X 4 -26.917 19.408 5.304 1.00 41.03 0.001 A 48 | ATOM 48 CH2 TRP X 4 -27.339 18.388 4.430 1.00 44.38 0.002 A 49 | ATOM 49 N GLU X 5 -19.818 20.368 7.790 1.00 46.73 -0.346 N 50 | ATOM 50 HN GLU X 5 -20.545 20.581 8.472 1.00 0.00 0.163 HD 51 | ATOM 51 CA GLU X 5 -18.494 20.946 7.957 1.00 46.98 0.177 C 52 | ATOM 52 C GLU X 5 -17.429 19.867 8.142 1.00 47.66 0.241 C 53 | ATOM 53 O GLU X 5 -17.645 18.850 8.799 1.00 47.68 -0.271 OA 54 | ATOM 54 CB GLU X 5 -18.487 21.927 9.133 1.00 45.89 0.045 C 55 | ATOM 55 CG GLU X 5 -17.270 22.855 9.188 1.00 49.47 0.116 C 56 | ATOM 56 CD GLU X 5 -17.024 23.596 7.881 1.00 52.76 0.172 C 57 | ATOM 57 OE1 GLU X 5 -18.007 24.057 7.257 1.00 53.86 -0.648 OA 58 | ATOM 58 OE2 GLU X 5 -15.841 23.730 7.474 1.00 54.08 -0.648 OA 59 | ATOM 59 N ILE X 6 -16.273 20.122 7.541 1.00 48.64 -0.346 N 60 | ATOM 60 HN ILE X 6 -16.184 20.996 7.022 1.00 0.00 0.163 HD 61 | ATOM 61 CA ILE X 6 -15.130 19.232 7.579 1.00 45.42 0.180 C 62 | ATOM 62 C ILE X 6 -13.832 20.032 7.662 1.00 44.88 0.243 C 63 | ATOM 63 O ILE X 6 -13.773 21.189 7.231 1.00 43.21 -0.271 OA 64 | ATOM 64 CB ILE X 6 -15.105 18.362 6.295 1.00 47.96 0.013 C 65 | ATOM 65 CG1 ILE X 6 -16.099 17.221 6.437 1.00 48.16 0.002 C 66 | ATOM 66 CG2 ILE X 6 -13.705 17.827 6.024 1.00 48.54 0.012 C 67 | ATOM 67 CD1 ILE X 6 -15.733 16.248 7.528 1.00 52.31 0.005 C 68 | ATOM 68 N PRO X 7 -12.789 19.426 8.253 1.00 43.77 -0.337 N 69 | ATOM 69 CA PRO X 7 -11.433 19.960 8.455 1.00 41.75 0.179 C 70 | ATOM 70 C PRO X 7 -10.601 19.818 7.175 1.00 42.59 0.241 C 71 | ATOM 71 O PRO X 7 -10.434 18.710 6.680 1.00 44.20 -0.271 OA 72 | ATOM 72 CB PRO X 7 -10.884 19.085 9.578 1.00 41.10 0.037 C 73 | ATOM 73 CG PRO X 7 -12.121 18.670 10.325 1.00 45.40 0.022 C 74 | ATOM 74 CD PRO X 7 -13.062 18.337 9.206 1.00 45.03 0.127 C 75 | ATOM 75 N ARG X 8 -10.067 20.919 6.648 1.00 42.69 -0.346 N 76 | ATOM 76 HN ARG X 8 -10.215 21.819 7.104 1.00 0.00 0.163 HD 77 | ATOM 77 CA ARG X 8 -9.273 20.851 5.425 1.00 41.09 0.176 C 78 | ATOM 78 C ARG X 8 -8.093 19.882 5.557 1.00 41.80 0.241 C 79 | ATOM 79 O ARG X 8 -7.409 19.569 4.576 1.00 39.91 -0.271 OA 80 | ATOM 80 CB ARG X 8 -8.780 22.254 5.017 1.00 41.05 0.036 C 81 | ATOM 81 CG ARG X 8 -8.353 22.349 3.543 1.00 45.32 0.023 C 82 | ATOM 82 CD ARG X 8 -7.715 23.693 3.146 1.00 47.86 0.138 C 83 | ATOM 83 NE ARG X 8 -8.681 24.733 2.761 1.00 48.68 -0.227 N 84 | ATOM 84 HE ARG X 8 -8.752 24.970 1.771 1.00 0.00 0.177 HD 85 | ATOM 85 CZ ARG X 8 -9.470 25.388 3.612 1.00 49.89 0.665 C 86 | ATOM 86 NH1 ARG X 8 -10.304 26.317 3.166 1.00 47.62 -0.235 N 87 | ATOM 87 1HH1 ARG X 8 -10.339 26.524 2.168 1.00 0.00 0.174 HD 88 | ATOM 88 2HH1 ARG X 8 -10.908 26.818 3.817 1.00 0.00 0.174 HD 89 | ATOM 89 NH2 ARG X 8 -9.424 25.119 4.912 1.00 50.96 -0.235 N 90 | ATOM 90 1HH2 ARG X 8 -8.782 24.404 5.255 1.00 0.00 0.174 HD 91 | ATOM 91 2HH2 ARG X 8 -10.028 25.620 5.563 1.00 0.00 0.174 HD 92 | ATOM 92 N GLU X 9 -7.858 19.392 6.770 1.00 43.30 -0.346 N 93 | ATOM 93 HN GLU X 9 -8.459 19.674 7.545 1.00 0.00 0.163 HD 94 | ATOM 94 CA GLU X 9 -6.760 18.458 7.023 1.00 46.04 0.177 C 95 | ATOM 95 C GLU X 9 -7.054 17.085 6.436 1.00 46.39 0.241 C 96 | ATOM 96 O GLU X 9 -6.158 16.406 5.929 1.00 46.99 -0.271 OA 97 | ATOM 97 CB GLU X 9 -6.529 18.316 8.530 1.00 52.44 0.045 C 98 | ATOM 98 CG GLU X 9 -5.568 19.338 9.131 1.00 61.73 0.116 C 99 | ATOM 99 CD GLU X 9 -6.108 20.756 9.108 1.00 65.09 0.172 C 100 | ATOM 100 OE1 GLU X 9 -7.229 20.966 9.625 1.00 65.42 -0.648 OA 101 | ATOM 101 OE2 GLU X 9 -5.407 21.657 8.585 1.00 65.35 -0.648 OA 102 | ATOM 102 N SER X 10 -8.317 16.668 6.503 1.00 44.62 -0.344 N 103 | ATOM 103 HN SER X 10 -9.020 17.270 6.932 1.00 0.00 0.163 HD 104 | ATOM 104 CA SER X 10 -8.714 15.368 5.975 1.00 40.45 0.200 C 105 | ATOM 105 C SER X 10 -8.817 15.305 4.454 1.00 37.83 0.243 C 106 | ATOM 106 O SER X 10 -9.127 14.244 3.907 1.00 34.38 -0.271 OA 107 | ATOM 107 CB SER X 10 -10.037 14.951 6.598 1.00 41.24 0.199 C 108 | ATOM 108 OG SER X 10 -10.958 16.017 6.575 1.00 43.97 -0.398 OA 109 | ATOM 109 HG SER X 10 -11.785 15.756 6.964 1.00 0.00 0.209 HD 110 | ATOM 110 N LEU X 11 -8.559 16.430 3.779 1.00 35.93 -0.346 N 111 | ATOM 111 HN LEU X 11 -8.314 17.276 4.294 1.00 0.00 0.163 HD 112 | ATOM 112 CA LEU X 11 -8.621 16.474 2.317 1.00 36.46 0.177 C 113 | ATOM 113 C LEU X 11 -7.220 16.540 1.732 1.00 39.47 0.241 C 114 | ATOM 114 O LEU X 11 -6.413 17.373 2.133 1.00 44.03 -0.271 OA 115 | ATOM 115 CB LEU X 11 -9.421 17.681 1.837 1.00 32.15 0.038 C 116 | ATOM 116 CG LEU X 11 -10.932 17.590 2.031 1.00 34.46 -0.020 C 117 | ATOM 117 CD1 LEU X 11 -11.600 18.913 1.680 1.00 33.74 0.009 C 118 | ATOM 118 CD2 LEU X 11 -11.466 16.457 1.156 1.00 35.24 0.009 C 119 | ATOM 119 N GLN X 12 -6.935 15.656 0.787 1.00 40.21 -0.346 N 120 | ATOM 120 HN GLN X 12 -7.646 14.984 0.500 1.00 0.00 0.163 HD 121 | ATOM 121 CA GLN X 12 -5.632 15.626 0.154 1.00 42.63 0.177 C 122 | ATOM 122 C GLN X 12 -5.777 15.784 -1.363 1.00 44.36 0.241 C 123 | ATOM 123 O GLN X 12 -5.877 14.798 -2.090 1.00 44.84 -0.271 OA 124 | ATOM 124 CB GLN X 12 -4.919 14.309 0.476 1.00 44.79 0.044 C 125 | ATOM 125 CG GLN X 12 -4.891 13.945 1.961 1.00 52.07 0.105 C 126 | ATOM 126 CD GLN X 12 -6.221 13.370 2.472 1.00 55.30 0.215 C 127 | ATOM 127 NE2 GLN X 12 -6.171 12.153 3.012 1.00 51.03 -0.370 N 128 | ATOM 128 1HE2 GLN X 12 -7.054 11.771 3.351 1.00 0.00 0.159 HD 129 | ATOM 129 2HE2 GLN X 12 -5.303 11.622 3.085 1.00 0.00 0.159 HD 130 | ATOM 130 OE1 GLN X 12 -7.269 14.012 2.384 1.00 56.98 -0.274 OA 131 | ATOM 131 N LEU X 13 -5.795 17.029 -1.831 1.00 44.95 -0.346 N 132 | ATOM 132 HN LEU X 13 -5.713 17.804 -1.173 1.00 0.00 0.163 HD 133 | ATOM 133 CA LEU X 13 -5.929 17.324 -3.260 1.00 42.11 0.177 C 134 | ATOM 134 C LEU X 13 -4.821 16.625 -4.025 1.00 40.46 0.241 C 135 | ATOM 135 O LEU X 13 -3.665 16.667 -3.614 1.00 42.82 -0.271 OA 136 | ATOM 136 CB LEU X 13 -5.878 18.840 -3.500 1.00 39.89 0.038 C 137 | ATOM 137 CG LEU X 13 -7.170 19.577 -3.115 1.00 40.47 -0.020 C 138 | ATOM 138 CD1 LEU X 13 -7.520 19.269 -1.676 1.00 42.05 0.009 C 139 | ATOM 139 CD2 LEU X 13 -7.014 21.066 -3.301 1.00 41.73 0.009 C 140 | ATOM 140 N ILE X 14 -5.164 15.968 -5.128 1.00 38.74 -0.346 N 141 | ATOM 141 HN ILE X 14 -6.137 15.950 -5.432 1.00 0.00 0.163 HD 142 | ATOM 142 CA ILE X 14 -4.143 15.273 -5.901 1.00 40.00 0.180 C 143 | ATOM 143 C ILE X 14 -4.144 15.588 -7.394 1.00 40.32 0.241 C 144 | ATOM 144 O ILE X 14 -3.155 15.326 -8.086 1.00 41.96 -0.271 OA 145 | ATOM 145 CB ILE X 14 -4.267 13.732 -5.730 1.00 39.51 0.013 C 146 | ATOM 146 CG1 ILE X 14 -5.472 13.206 -6.498 1.00 44.01 0.002 C 147 | ATOM 147 CG2 ILE X 14 -4.459 13.377 -4.272 1.00 37.98 0.012 C 148 | ATOM 148 CD1 ILE X 14 -5.811 11.760 -6.167 1.00 49.06 0.005 C 149 | ATOM 149 N LYS X 15 -5.227 16.162 -7.903 1.00 38.68 -0.346 N 150 | ATOM 150 HN LYS X 15 -6.024 16.387 -7.308 1.00 0.00 0.163 HD 151 | ATOM 151 CA LYS X 15 -5.256 16.463 -9.323 1.00 37.23 0.176 C 152 | ATOM 152 C LYS X 15 -6.371 17.386 -9.789 1.00 37.53 0.241 C 153 | ATOM 153 O LYS X 15 -7.536 17.214 -9.423 1.00 36.81 -0.271 OA 154 | ATOM 154 CB LYS X 15 -5.310 15.139 -10.076 1.00 36.78 0.035 C 155 | ATOM 155 CG LYS X 15 -5.579 15.234 -11.546 1.00 43.28 0.004 C 156 | ATOM 156 CD LYS X 15 -5.746 13.830 -12.081 1.00 51.31 0.027 C 157 | ATOM 157 CE LYS X 15 -6.693 13.044 -11.173 1.00 53.41 0.229 C 158 | ATOM 158 NZ LYS X 15 -6.776 11.594 -11.504 1.00 57.14 -0.079 N 159 | ATOM 159 HZ1 LYS X 15 -7.408 11.070 -10.898 1.00 0.00 0.274 HD 160 | ATOM 160 HZ2 LYS X 15 -5.847 11.172 -11.506 1.00 0.00 0.274 HD 161 | ATOM 161 HZ3 LYS X 15 -7.026 11.463 -12.484 1.00 0.00 0.274 HD 162 | ATOM 162 N ARG X 16 -6.000 18.376 -10.598 1.00 35.66 -0.346 N 163 | ATOM 163 HN ARG X 16 -5.017 18.467 -10.854 1.00 0.00 0.163 HD 164 | ATOM 164 CA ARG X 16 -6.964 19.334 -11.128 1.00 33.44 0.176 C 165 | ATOM 165 C ARG X 16 -7.869 18.625 -12.138 1.00 35.42 0.241 C 166 | ATOM 166 O ARG X 16 -7.374 17.957 -13.055 1.00 34.42 -0.271 OA 167 | ATOM 167 CB ARG X 16 -6.232 20.479 -11.816 1.00 35.20 0.036 C 168 | ATOM 168 CG ARG X 16 -7.155 21.536 -12.379 1.00 39.65 0.023 C 169 | ATOM 169 CD ARG X 16 -6.437 22.443 -13.363 1.00 47.14 0.138 C 170 | ATOM 170 NE ARG X 16 -7.226 22.617 -14.580 1.00 53.74 -0.227 N 171 | ATOM 171 HE ARG X 16 -7.558 23.555 -14.805 1.00 0.00 0.177 HD 172 | ATOM 172 CZ ARG X 16 -7.540 21.625 -15.417 1.00 56.40 0.665 C 173 | ATOM 173 NH1 ARG X 16 -8.273 21.873 -16.496 1.00 54.29 -0.235 N 174 | ATOM 174 1HH1 ARG X 16 -8.513 21.115 -17.135 1.00 0.00 0.174 HD 175 | ATOM 175 2HH1 ARG X 16 -8.592 22.825 -16.677 1.00 0.00 0.174 HD 176 | ATOM 176 NH2 ARG X 16 -7.122 20.379 -15.180 1.00 54.64 -0.235 N 177 | ATOM 177 1HH2 ARG X 16 -7.362 19.621 -15.819 1.00 0.00 0.174 HD 178 | ATOM 178 2HH2 ARG X 16 -6.559 20.188 -14.351 1.00 0.00 0.174 HD 179 | ATOM 179 N LEU X 17 -9.185 18.768 -11.968 1.00 36.64 -0.346 N 180 | ATOM 180 HN LEU X 17 -9.525 19.333 -11.189 1.00 0.00 0.163 HD 181 | ATOM 181 CA LEU X 17 -10.154 18.140 -12.864 1.00 38.13 0.177 C 182 | ATOM 182 C LEU X 17 -10.763 19.110 -13.860 1.00 39.41 0.240 C 183 | ATOM 183 O LEU X 17 -11.130 18.723 -14.972 1.00 42.80 -0.271 OA 184 | ATOM 184 CB LEU X 17 -11.302 17.526 -12.070 1.00 38.35 0.038 C 185 | ATOM 185 CG LEU X 17 -11.039 16.340 -11.148 1.00 35.10 -0.020 C 186 | ATOM 186 CD1 LEU X 17 -12.243 16.162 -10.240 1.00 36.23 0.009 C 187 | ATOM 187 CD2 LEU X 17 -10.786 15.096 -11.962 1.00 30.78 0.009 C 188 | ATOM 188 N GLY X 18 -10.903 20.365 -13.453 1.00 40.59 -0.351 N 189 | ATOM 189 HN GLY X 18 -10.591 20.641 -12.522 1.00 0.00 0.163 HD 190 | ATOM 190 CA GLY X 18 -11.502 21.341 -14.341 1.00 45.78 0.225 C 191 | ATOM 191 C GLY X 18 -11.404 22.737 -13.779 1.00 47.83 0.236 C 192 | ATOM 192 O GLY X 18 -10.848 22.933 -12.700 1.00 49.41 -0.272 OA 193 | ATOM 193 N ASN X 19 -11.954 23.704 -14.505 1.00 51.08 -0.346 N 194 | ATOM 194 HN ASN X 19 -12.423 23.463 -15.378 1.00 0.00 0.163 HD 195 | ATOM 195 CA ASN X 19 -11.905 25.097 -14.088 1.00 55.05 0.185 C 196 | ATOM 196 C ASN X 19 -13.278 25.716 -13.906 1.00 57.00 0.241 C 197 | ATOM 197 O ASN X 19 -14.305 25.072 -14.125 1.00 55.84 -0.271 OA 198 | ATOM 198 CB ASN X 19 -11.124 25.928 -15.114 1.00 53.81 0.137 C 199 | ATOM 199 CG ASN X 19 -9.642 25.590 -15.137 1.00 54.21 0.217 C 200 | ATOM 200 ND2 ASN X 19 -9.200 24.968 -16.217 1.00 54.69 -0.370 N 201 | ATOM 201 1HD2 ASN X 19 -9.809 24.729 -16.999 1.00 0.00 0.159 HD 202 | ATOM 202 2HD2 ASN X 19 -8.206 24.741 -16.232 1.00 0.00 0.159 HD 203 | ATOM 203 OD1 ASN X 19 -8.907 25.878 -14.193 1.00 55.29 -0.274 OA 204 | ATOM 204 N GLY X 20 -13.273 26.984 -13.508 1.00 60.16 -0.351 N 205 | ATOM 205 HN GLY X 20 -12.382 27.454 -13.346 1.00 0.00 0.163 HD 206 | ATOM 206 CA GLY X 20 -14.507 27.712 -13.300 1.00 62.35 0.225 C 207 | ATOM 207 C GLY X 20 -14.188 29.190 -13.200 1.00 65.44 0.236 C 208 | ATOM 208 O GLY X 20 -13.049 29.568 -12.912 1.00 67.25 -0.272 OA 209 | ATOM 209 N GLN X 21 -15.192 30.027 -13.446 1.00 66.37 -0.346 N 210 | ATOM 210 HN GLN X 21 -16.106 29.647 -13.694 1.00 0.00 0.163 HD 211 | ATOM 211 CA GLN X 21 -15.021 31.474 -13.371 1.00 65.39 0.177 C 212 | ATOM 212 C GLN X 21 -14.754 31.881 -11.922 1.00 61.96 0.241 C 213 | ATOM 213 O GLN X 21 -14.123 32.906 -11.660 1.00 63.18 -0.271 OA 214 | ATOM 214 CB GLN X 21 -16.284 32.177 -13.902 1.00 69.05 0.044 C 215 | ATOM 215 CG GLN X 21 -16.451 33.648 -13.491 1.00 73.80 0.105 C 216 | ATOM 216 CD GLN X 21 -15.322 34.551 -13.972 1.00 76.08 0.215 C 217 | ATOM 217 NE2 GLN X 21 -14.591 35.141 -13.030 1.00 74.14 -0.370 N 218 | ATOM 218 1HE2 GLN X 21 -13.835 35.746 -13.352 1.00 0.00 0.159 HD 219 | ATOM 219 2HE2 GLN X 21 -14.760 34.999 -12.034 1.00 0.00 0.159 HD 220 | ATOM 220 OE1 GLN X 21 -15.118 34.723 -15.175 1.00 77.55 -0.274 OA 221 | ATOM 221 N PHE X 22 -15.214 31.050 -10.988 1.00 54.76 -0.346 N 222 | ATOM 222 HN PHE X 22 -15.703 30.202 -11.275 1.00 0.00 0.163 HD 223 | ATOM 223 CA PHE X 22 -15.037 31.321 -9.566 1.00 49.90 0.180 C 224 | ATOM 224 C PHE X 22 -14.123 30.351 -8.830 1.00 46.11 0.241 C 225 | ATOM 225 O PHE X 22 -13.841 30.531 -7.640 1.00 41.12 -0.271 OA 226 | ATOM 226 CB PHE X 22 -16.402 31.335 -8.885 1.00 50.71 0.073 C 227 | ATOM 227 CG PHE X 22 -17.349 32.311 -9.488 1.00 51.15 -0.056 A 228 | ATOM 228 CD1 PHE X 22 -17.164 33.669 -9.304 1.00 51.53 0.007 A 229 | ATOM 229 CD2 PHE X 22 -18.401 31.878 -10.277 1.00 53.10 0.007 A 230 | ATOM 230 CE1 PHE X 22 -18.013 34.580 -9.896 1.00 56.45 0.001 A 231 | ATOM 231 CE2 PHE X 22 -19.258 32.783 -10.874 1.00 54.03 0.001 A 232 | ATOM 232 CZ PHE X 22 -19.064 34.136 -10.683 1.00 56.00 0.000 A 233 | ATOM 233 N GLY X 23 -13.657 29.326 -9.527 1.00 42.51 -0.351 N 234 | ATOM 234 HN GLY X 23 -13.901 29.212 -10.511 1.00 0.00 0.163 HD 235 | ATOM 235 CA GLY X 23 -12.797 28.373 -8.868 1.00 39.57 0.225 C 236 | ATOM 236 C GLY X 23 -12.370 27.238 -9.757 1.00 38.19 0.236 C 237 | ATOM 237 O GLY X 23 -12.838 27.103 -10.886 1.00 45.43 -0.272 OA 238 | ATOM 238 N GLU X 24 -11.489 26.406 -9.219 1.00 35.71 -0.346 N 239 | ATOM 239 HN GLU X 24 -11.194 26.572 -8.257 1.00 0.00 0.163 HD 240 | ATOM 240 CA GLU X 24 -10.921 25.270 -9.927 1.00 34.97 0.177 C 241 | ATOM 241 C GLU X 24 -11.376 23.969 -9.245 1.00 33.26 0.241 C 242 | ATOM 242 O GLU X 24 -11.359 23.879 -8.020 1.00 34.91 -0.271 OA 243 | ATOM 243 CB GLU X 24 -9.395 25.438 -9.884 1.00 36.52 0.045 C 244 | ATOM 244 CG GLU X 24 -8.560 24.465 -10.668 1.00 38.95 0.116 C 245 | ATOM 245 CD GLU X 24 -7.221 25.076 -11.059 1.00 40.87 0.172 C 246 | ATOM 246 OE1 GLU X 24 -7.208 25.947 -11.964 1.00 37.98 -0.648 OA 247 | ATOM 247 OE2 GLU X 24 -6.178 24.699 -10.467 1.00 41.95 -0.648 OA 248 | ATOM 248 N VAL X 25 -11.806 22.969 -10.012 1.00 30.70 -0.346 N 249 | ATOM 249 HN VAL X 25 -11.831 23.066 -11.027 1.00 0.00 0.163 HD 250 | ATOM 250 CA VAL X 25 -12.240 21.732 -9.373 1.00 29.41 0.180 C 251 | ATOM 251 C VAL X 25 -11.114 20.714 -9.356 1.00 28.15 0.241 C 252 | ATOM 252 O VAL X 25 -10.438 20.493 -10.358 1.00 25.76 -0.271 OA 253 | ATOM 253 CB VAL X 25 -13.492 21.121 -10.050 1.00 32.48 0.009 C 254 | ATOM 254 CG1 VAL X 25 -13.919 19.843 -9.307 1.00 26.69 0.012 C 255 | ATOM 255 CG2 VAL X 25 -14.630 22.130 -10.037 1.00 32.12 0.012 C 256 | ATOM 256 N TRP X 26 -10.929 20.095 -8.199 1.00 29.61 -0.346 N 257 | ATOM 257 HN TRP X 26 -11.539 20.323 -7.413 1.00 0.00 0.163 HD 258 | ATOM 258 CA TRP X 26 -9.890 19.107 -8.016 1.00 32.54 0.181 C 259 | ATOM 259 C TRP X 26 -10.336 17.728 -7.582 1.00 32.04 0.241 C 260 | ATOM 260 O TRP X 26 -11.456 17.517 -7.116 1.00 29.12 -0.271 OA 261 | ATOM 261 CB TRP X 26 -8.872 19.623 -7.011 1.00 36.66 0.075 C 262 | ATOM 262 CG TRP X 26 -7.899 20.553 -7.616 1.00 41.92 -0.028 A 263 | ATOM 263 CD1 TRP X 26 -8.168 21.758 -8.206 1.00 42.86 0.096 A 264 | ATOM 264 CD2 TRP X 26 -6.496 20.338 -7.754 1.00 44.41 -0.002 A 265 | ATOM 265 CE2 TRP X 26 -5.970 21.452 -8.441 1.00 44.99 0.042 A 266 | ATOM 266 CE3 TRP X 26 -5.625 19.311 -7.364 1.00 43.59 0.014 A 267 | ATOM 267 NE1 TRP X 26 -7.014 22.305 -8.708 1.00 43.98 -0.365 N 268 | ATOM 268 HE1 TRP X 26 -6.943 23.197 -9.198 1.00 0.00 0.165 HD 269 | ATOM 269 CZ2 TRP X 26 -4.608 21.563 -8.747 1.00 43.76 0.030 A 270 | ATOM 270 CZ3 TRP X 26 -4.281 19.428 -7.673 1.00 43.74 0.001 A 271 | ATOM 271 CH2 TRP X 26 -3.787 20.544 -8.354 1.00 40.89 0.002 A 272 | ATOM 272 N MET X 27 -9.416 16.791 -7.751 1.00 31.12 -0.346 N 273 | ATOM 273 HN MET X 27 -8.513 17.055 -8.146 1.00 0.00 0.163 HD 274 | ATOM 274 CA MET X 27 -9.642 15.409 -7.398 1.00 36.06 0.177 C 275 | ATOM 275 C MET X 27 -8.732 15.205 -6.199 1.00 34.07 0.240 C 276 | ATOM 276 O MET X 27 -7.599 15.689 -6.178 1.00 34.32 -0.271 OA 277 | ATOM 277 CB MET X 27 -9.237 14.509 -8.576 1.00 39.74 0.045 C 278 | ATOM 278 CG MET X 27 -9.835 13.129 -8.550 1.00 41.04 0.076 C 279 | ATOM 279 SD MET X 27 -8.886 11.994 -7.546 1.00 52.03 -0.173 SA 280 | ATOM 280 CE MET X 27 -7.897 11.170 -8.826 1.00 47.60 0.089 C 281 | ATOM 281 N GLY X 28 -9.218 14.508 -5.190 1.00 32.23 -0.351 N 282 | ATOM 282 HN GLY X 28 -10.164 14.129 -5.235 1.00 0.00 0.163 HD 283 | ATOM 283 CA GLY X 28 -8.397 14.285 -4.019 1.00 32.20 0.225 C 284 | ATOM 284 C GLY X 28 -9.078 13.298 -3.121 1.00 28.98 0.236 C 285 | ATOM 285 O GLY X 28 -10.179 12.855 -3.425 1.00 30.78 -0.272 OA 286 | ATOM 286 N THR X 29 -8.441 12.938 -2.021 1.00 29.16 -0.344 N 287 | ATOM 287 HN THR X 29 -7.521 13.323 -1.806 1.00 0.00 0.163 HD 288 | ATOM 288 CA THR X 29 -9.070 11.986 -1.123 1.00 32.18 0.205 C 289 | ATOM 289 C THR X 29 -9.464 12.612 0.207 1.00 30.71 0.243 C 290 | ATOM 290 O THR X 29 -8.940 13.652 0.619 1.00 30.36 -0.271 OA 291 | ATOM 291 CB THR X 29 -8.176 10.761 -0.867 1.00 33.54 0.146 C 292 | ATOM 292 CG2 THR X 29 -7.659 10.195 -2.192 1.00 33.47 0.042 C 293 | ATOM 293 OG1 THR X 29 -7.069 11.138 -0.044 1.00 36.32 -0.393 OA 294 | ATOM 294 HG1 THR X 29 -7.390 11.489 0.778 1.00 0.00 0.210 HD 295 | ATOM 295 N TRP X 30 -10.410 11.962 0.868 1.00 29.23 -0.346 N 296 | ATOM 296 HN TRP X 30 -10.794 11.111 0.458 1.00 0.00 0.163 HD 297 | ATOM 297 CA TRP X 30 -10.921 12.404 2.141 1.00 27.35 0.181 C 298 | ATOM 298 C TRP X 30 -10.659 11.301 3.130 1.00 30.95 0.241 C 299 | ATOM 299 O TRP X 30 -11.053 10.152 2.899 1.00 27.41 -0.271 OA 300 | ATOM 300 CB TRP X 30 -12.407 12.659 2.002 1.00 24.90 0.075 C 301 | ATOM 301 CG TRP X 30 -13.111 12.992 3.249 1.00 28.58 -0.028 A 302 | ATOM 302 CD1 TRP X 30 -12.597 13.627 4.355 1.00 29.02 0.096 A 303 | ATOM 303 CD2 TRP X 30 -14.506 12.827 3.496 1.00 28.81 -0.002 A 304 | ATOM 304 CE2 TRP X 30 -14.781 13.387 4.770 1.00 26.86 0.042 A 305 | ATOM 305 CE3 TRP X 30 -15.556 12.272 2.760 1.00 24.05 0.014 A 306 | ATOM 306 NE1 TRP X 30 -13.599 13.869 5.274 1.00 26.16 -0.365 N 307 | ATOM 307 HE1 TRP X 30 -13.480 14.329 6.177 1.00 0.00 0.165 HD 308 | ATOM 308 CZ2 TRP X 30 -16.056 13.400 5.315 1.00 23.74 0.030 A 309 | ATOM 309 CZ3 TRP X 30 -16.836 12.289 3.310 1.00 23.69 0.001 A 310 | ATOM 310 CH2 TRP X 30 -17.070 12.847 4.570 1.00 21.95 0.002 A 311 | ATOM 311 N ASN X 31 -9.974 11.654 4.221 1.00 34.15 -0.346 N 312 | ATOM 312 HN ASN X 31 -9.675 12.624 4.324 1.00 0.00 0.163 HD 313 | ATOM 313 CA ASN X 31 -9.638 10.696 5.273 1.00 36.25 0.185 C 314 | ATOM 314 C ASN X 31 -8.929 9.486 4.706 1.00 37.39 0.241 C 315 | ATOM 315 O ASN X 31 -9.172 8.359 5.115 1.00 42.92 -0.271 OA 316 | ATOM 316 CB ASN X 31 -10.888 10.266 6.039 1.00 33.48 0.137 C 317 | ATOM 317 CG ASN X 31 -11.465 11.390 6.874 1.00 35.21 0.217 C 318 | ATOM 318 ND2 ASN X 31 -12.736 11.714 6.646 1.00 38.86 -0.370 N 319 | ATOM 319 1HD2 ASN X 31 -13.125 12.471 7.208 1.00 0.00 0.159 HD 320 | ATOM 320 2HD2 ASN X 31 -13.308 11.238 5.948 1.00 0.00 0.159 HD 321 | ATOM 321 OD1 ASN X 31 -10.774 11.965 7.717 1.00 35.01 -0.274 OA 322 | ATOM 322 N GLY X 32 -8.056 9.749 3.741 1.00 41.28 -0.351 N 323 | ATOM 323 HN GLY X 32 -7.942 10.714 3.430 1.00 0.00 0.163 HD 324 | ATOM 324 CA GLY X 32 -7.256 8.710 3.111 1.00 42.55 0.225 C 325 | ATOM 325 C GLY X 32 -7.890 7.491 2.474 1.00 43.60 0.236 C 326 | ATOM 326 O GLY X 32 -7.154 6.585 2.084 1.00 47.46 -0.272 OA 327 | ATOM 327 N ASN X 33 -9.212 7.429 2.342 1.00 45.04 -0.346 N 328 | ATOM 328 HN ASN X 33 -9.808 8.191 2.667 1.00 0.00 0.163 HD 329 | ATOM 329 CA ASN X 33 -9.788 6.237 1.718 1.00 45.36 0.185 C 330 | ATOM 330 C ASN X 33 -10.976 6.402 0.764 1.00 43.27 0.241 C 331 | ATOM 331 O ASN X 33 -11.447 5.424 0.184 1.00 40.90 -0.271 OA 332 | ATOM 332 CB ASN X 33 -10.134 5.214 2.796 1.00 49.70 0.137 C 333 | ATOM 333 CG ASN X 33 -8.895 4.539 3.374 1.00 58.92 0.217 C 334 | ATOM 334 ND2 ASN X 33 -8.761 4.584 4.698 1.00 63.01 -0.370 N 335 | ATOM 335 1HD2 ASN X 33 -7.932 4.132 5.085 1.00 0.00 0.159 HD 336 | ATOM 336 2HD2 ASN X 33 -9.439 5.044 5.305 1.00 0.00 0.159 HD 337 | ATOM 337 OD1 ASN X 33 -8.070 3.979 2.636 1.00 60.39 -0.274 OA 338 | ATOM 338 N THR X 34 -11.459 7.623 0.575 1.00 40.06 -0.344 N 339 | ATOM 339 HN THR X 34 -11.043 8.419 1.058 1.00 0.00 0.163 HD 340 | ATOM 340 CA THR X 34 -12.582 7.820 -0.323 1.00 36.56 0.205 C 341 | ATOM 341 C THR X 34 -12.262 8.862 -1.391 1.00 33.55 0.243 C 342 | ATOM 342 O THR X 34 -11.889 9.976 -1.076 1.00 31.08 -0.271 OA 343 | ATOM 343 CB THR X 34 -13.856 8.259 0.439 1.00 36.03 0.146 C 344 | ATOM 344 CG2 THR X 34 -13.734 7.962 1.924 1.00 32.62 0.042 C 345 | ATOM 345 OG1 THR X 34 -14.053 9.668 0.254 1.00 39.17 -0.393 OA 346 | ATOM 346 HG1 THR X 34 -14.129 9.854 -0.675 1.00 0.00 0.210 HD 347 | ATOM 347 N LYS X 35 -12.404 8.488 -2.659 1.00 32.56 -0.346 N 348 | ATOM 348 HN LYS X 35 -12.712 7.539 -2.871 1.00 0.00 0.163 HD 349 | ATOM 349 CA LYS X 35 -12.126 9.413 -3.751 1.00 31.08 0.176 C 350 | ATOM 350 C LYS X 35 -13.237 10.470 -3.757 1.00 29.22 0.241 C 351 | ATOM 351 O LYS X 35 -14.425 10.139 -3.715 1.00 25.41 -0.271 OA 352 | ATOM 352 CB LYS X 35 -12.093 8.681 -5.102 1.00 31.95 0.035 C 353 | ATOM 353 CG LYS X 35 -11.250 7.403 -5.153 1.00 42.20 0.004 C 354 | ATOM 354 CD LYS X 35 -9.748 7.635 -4.969 1.00 46.40 0.027 C 355 | ATOM 355 CE LYS X 35 -9.083 8.150 -6.232 1.00 50.17 0.229 C 356 | ATOM 356 NZ LYS X 35 -7.599 8.321 -6.057 1.00 52.52 -0.079 N 357 | ATOM 357 HZ1 LYS X 35 -7.152 8.667 -6.906 1.00 0.00 0.274 HD 358 | ATOM 358 HZ2 LYS X 35 -7.162 7.458 -5.734 1.00 0.00 0.274 HD 359 | ATOM 359 HZ3 LYS X 35 -7.387 8.917 -5.257 1.00 0.00 0.274 HD 360 | ATOM 360 N VAL X 36 -12.835 11.737 -3.802 1.00 25.74 -0.346 N 361 | ATOM 361 HN VAL X 36 -11.835 11.935 -3.829 1.00 0.00 0.163 HD 362 | ATOM 362 CA VAL X 36 -13.771 12.849 -3.814 1.00 22.56 0.180 C 363 | ATOM 363 C VAL X 36 -13.372 13.889 -4.847 1.00 21.65 0.241 C 364 | ATOM 364 O VAL X 36 -12.300 13.802 -5.435 1.00 20.66 -0.271 OA 365 | ATOM 365 CB VAL X 36 -13.834 13.554 -2.430 1.00 22.53 0.009 C 366 | ATOM 366 CG1 VAL X 36 -14.567 12.683 -1.437 1.00 20.02 0.012 C 367 | ATOM 367 CG2 VAL X 36 -12.422 13.837 -1.935 1.00 18.02 0.012 C 368 | ATOM 368 N ALA X 37 -14.256 14.860 -5.060 1.00 21.26 -0.346 N 369 | ATOM 369 HN ALA X 37 -15.129 14.843 -4.533 1.00 0.00 0.163 HD 370 | ATOM 370 CA ALA X 37 -14.044 15.942 -6.003 1.00 21.28 0.172 C 371 | ATOM 371 C ALA X 37 -14.219 17.198 -5.182 1.00 25.03 0.240 C 372 | ATOM 372 O ALA X 37 -15.201 17.331 -4.440 1.00 24.96 -0.271 OA 373 | ATOM 373 CB ALA X 37 -15.080 15.899 -7.107 1.00 20.32 0.042 C 374 | ATOM 374 N ILE X 38 -13.280 18.129 -5.302 1.00 27.58 -0.346 N 375 | ATOM 375 HN ILE X 38 -12.489 17.983 -5.929 1.00 0.00 0.163 HD 376 | ATOM 376 CA ILE X 38 -13.387 19.353 -4.536 1.00 27.91 0.180 C 377 | ATOM 377 C ILE X 38 -13.596 20.585 -5.401 1.00 29.95 0.241 C 378 | ATOM 378 O ILE X 38 -12.758 20.925 -6.230 1.00 31.84 -0.271 OA 379 | ATOM 379 CB ILE X 38 -12.148 19.525 -3.681 1.00 27.25 0.013 C 380 | ATOM 380 CG1 ILE X 38 -11.708 18.140 -3.170 1.00 29.39 0.002 C 381 | ATOM 381 CG2 ILE X 38 -12.451 20.443 -2.522 1.00 27.76 0.012 C 382 | ATOM 382 CD1 ILE X 38 -10.368 18.096 -2.491 1.00 30.95 0.005 C 383 | ATOM 383 N LYS X 39 -14.736 21.239 -5.232 1.00 32.69 -0.346 N 384 | ATOM 384 HN LYS X 39 -15.416 20.901 -4.551 1.00 0.00 0.163 HD 385 | ATOM 386 C LYS X 39 -14.622 23.656 -5.189 1.00 31.33 0.241 C 386 | ATOM 387 O LYS X 39 -15.422 24.210 -4.428 1.00 30.83 -0.271 OA 387 | ATOM 396 N THR X 40 -13.376 24.080 -5.357 1.00 29.90 -0.344 N 388 | ATOM 397 HN THR X 40 -12.763 23.587 -6.007 1.00 0.00 0.163 HD 389 | ATOM 398 CA THR X 40 -12.866 25.237 -4.631 1.00 29.60 0.205 C 390 | ATOM 399 C THR X 40 -13.330 26.584 -5.193 1.00 28.33 0.243 C 391 | ATOM 400 O THR X 40 -13.846 26.687 -6.307 1.00 24.53 -0.271 OA 392 | ATOM 401 CB THR X 40 -11.333 25.248 -4.623 1.00 29.13 0.146 C 393 | ATOM 402 CG2 THR X 40 -10.783 23.821 -4.543 1.00 29.69 0.042 C 394 | ATOM 403 OG1 THR X 40 -10.860 25.865 -5.831 1.00 29.02 -0.393 OA 395 | ATOM 404 HG1 THR X 40 -9.910 25.872 -5.826 1.00 0.00 0.210 HD 396 | ATOM 405 N LEU X 41 -13.145 27.614 -4.382 1.00 29.77 -0.346 N 397 | ATOM 406 HN LEU X 41 -12.730 27.446 -3.466 1.00 0.00 0.163 HD 398 | ATOM 407 CA LEU X 41 -13.509 28.976 -4.742 1.00 29.91 0.177 C 399 | ATOM 408 C LEU X 41 -12.246 29.832 -4.683 1.00 30.51 0.241 C 400 | ATOM 409 O LEU X 41 -11.530 29.850 -3.675 1.00 28.46 -0.271 OA 401 | ATOM 410 CB LEU X 41 -14.565 29.524 -3.777 1.00 29.99 0.038 C 402 | ATOM 411 CG LEU X 41 -14.534 31.025 -3.493 1.00 30.81 -0.020 C 403 | ATOM 412 CD1 LEU X 41 -15.885 31.543 -3.022 1.00 28.50 0.009 C 404 | ATOM 413 CD2 LEU X 41 -13.487 31.264 -2.432 1.00 36.92 0.009 C 405 | ATOM 414 N LYS X 42 -11.965 30.515 -5.787 1.00 30.24 -0.346 N 406 | ATOM 415 HN LYS X 42 -12.585 30.435 -6.593 1.00 0.00 0.163 HD 407 | ATOM 416 CA LYS X 42 -10.794 31.375 -5.875 1.00 30.86 0.176 C 408 | ATOM 417 C LYS X 42 -11.050 32.584 -4.972 1.00 31.26 0.243 C 409 | ATOM 418 O LYS X 42 -12.044 33.290 -5.136 1.00 31.75 -0.271 OA 410 | ATOM 419 CB LYS X 42 -10.590 31.810 -7.319 1.00 26.10 0.035 C 411 | ATOM 420 CG LYS X 42 -9.212 32.350 -7.587 1.00 29.92 0.004 C 412 | ATOM 421 CD LYS X 42 -9.075 32.794 -9.003 1.00 32.28 0.027 C 413 | ATOM 422 CE LYS X 42 -7.673 33.247 -9.271 1.00 33.23 0.229 C 414 | ATOM 423 NZ LYS X 42 -7.573 33.804 -10.644 1.00 42.61 -0.079 N 415 | ATOM 424 HZ1 LYS X 42 -6.618 34.113 -10.827 1.00 0.00 0.274 HD 416 | ATOM 425 HZ2 LYS X 42 -8.252 34.547 -10.805 1.00 0.00 0.274 HD 417 | ATOM 426 HZ3 LYS X 42 -7.903 33.145 -11.349 1.00 0.00 0.274 HD 418 | ATOM 427 N PRO X 43 -10.159 32.836 -4.001 1.00 32.69 -0.337 N 419 | ATOM 428 CA PRO X 43 -10.316 33.956 -3.073 1.00 35.86 0.179 C 420 | ATOM 429 C PRO X 43 -10.883 35.297 -3.551 1.00 39.76 0.241 C 421 | ATOM 430 O PRO X 43 -12.016 35.641 -3.207 1.00 45.97 -0.271 OA 422 | ATOM 431 CB PRO X 43 -8.931 34.082 -2.413 1.00 34.95 0.037 C 423 | ATOM 432 CG PRO X 43 -8.043 33.116 -3.161 1.00 36.04 0.022 C 424 | ATOM 433 CD PRO X 43 -8.971 32.049 -3.657 1.00 33.63 0.127 C 425 | ATOM 434 N GLY X 44 -10.141 36.068 -4.333 1.00 36.71 -0.351 N 426 | ATOM 435 HN GLY X 44 -9.217 35.763 -4.640 1.00 0.00 0.163 HD 427 | ATOM 436 CA GLY X 44 -10.675 37.365 -4.747 1.00 38.34 0.225 C 428 | ATOM 437 C GLY X 44 -11.799 37.349 -5.771 1.00 37.86 0.236 C 429 | ATOM 438 O GLY X 44 -12.161 38.388 -6.327 1.00 38.37 -0.272 OA 430 | ATOM 439 N THR X 45 -12.359 36.170 -6.004 1.00 36.80 -0.344 N 431 | ATOM 440 HN THR X 45 -12.035 35.363 -5.471 1.00 0.00 0.163 HD 432 | ATOM 441 CA THR X 45 -13.414 35.977 -6.985 1.00 37.23 0.205 C 433 | ATOM 442 C THR X 45 -14.858 36.267 -6.571 1.00 38.68 0.243 C 434 | ATOM 443 O THR X 45 -15.423 37.296 -6.942 1.00 38.73 -0.271 OA 435 | ATOM 444 CB THR X 45 -13.350 34.558 -7.526 1.00 34.16 0.146 C 436 | ATOM 445 CG2 THR X 45 -14.666 34.169 -8.146 1.00 37.18 0.042 C 437 | ATOM 446 OG1 THR X 45 -12.314 34.482 -8.504 1.00 35.10 -0.393 OA 438 | ATOM 447 HG1 THR X 45 -11.484 34.727 -8.113 1.00 0.00 0.210 HD 439 | ATOM 448 N MET X 46 -15.456 35.341 -5.830 1.00 40.97 -0.346 N 440 | ATOM 449 HN MET X 46 -14.943 34.498 -5.574 1.00 0.00 0.163 HD 441 | ATOM 450 CA MET X 46 -16.827 35.505 -5.377 1.00 42.92 0.177 C 442 | ATOM 451 C MET X 46 -16.936 35.480 -3.859 1.00 42.47 0.241 C 443 | ATOM 452 O MET X 46 -16.048 34.999 -3.171 1.00 41.72 -0.271 OA 444 | ATOM 453 CB MET X 46 -17.716 34.406 -5.972 1.00 43.73 0.045 C 445 | ATOM 454 CG MET X 46 -19.058 34.257 -5.283 1.00 47.47 0.076 C 446 | ATOM 455 SD MET X 46 -20.255 33.324 -6.263 1.00 55.54 -0.173 SA 447 | ATOM 456 CE MET X 46 -19.396 31.744 -6.513 1.00 56.20 0.089 C 448 | ATOM 457 N SER X 47 -18.043 36.006 -3.353 1.00 44.79 -0.344 N 449 | ATOM 458 HN SER X 47 -18.740 36.394 -3.989 1.00 0.00 0.163 HD 450 | ATOM 459 CA SER X 47 -18.297 36.048 -1.925 1.00 43.92 0.200 C 451 | ATOM 460 C SER X 47 -18.476 34.633 -1.369 1.00 45.94 0.245 C 452 | ATOM 461 O SER X 47 -19.234 33.824 -1.926 1.00 45.23 -0.271 OA 453 | ATOM 462 CB SER X 47 -19.563 36.863 -1.660 1.00 41.35 0.199 C 454 | ATOM 463 OG SER X 47 -19.996 36.696 -0.330 1.00 48.53 -0.398 OA 455 | ATOM 464 HG SER X 47 -20.783 37.202 -0.165 1.00 0.00 0.209 HD 456 | ATOM 465 N PRO X 48 -17.786 34.317 -0.258 1.00 46.86 -0.337 N 457 | ATOM 466 CA PRO X 48 -17.873 32.994 0.377 1.00 46.85 0.179 C 458 | ATOM 467 C PRO X 48 -19.334 32.635 0.605 1.00 48.27 0.241 C 459 | ATOM 468 O PRO X 48 -19.721 31.473 0.550 1.00 51.32 -0.271 OA 460 | ATOM 469 CB PRO X 48 -17.122 33.192 1.691 1.00 45.64 0.037 C 461 | ATOM 470 CG PRO X 48 -16.123 34.239 1.349 1.00 47.54 0.022 C 462 | ATOM 471 CD PRO X 48 -16.936 35.219 0.538 1.00 45.96 0.127 C 463 | ATOM 472 N GLU X 49 -20.129 33.665 0.863 1.00 49.98 -0.346 N 464 | ATOM 473 HN GLU X 49 -19.721 34.599 0.893 1.00 0.00 0.163 HD 465 | ATOM 474 CA GLU X 49 -21.556 33.524 1.105 1.00 51.62 0.177 C 466 | ATOM 475 C GLU X 49 -22.222 33.010 -0.171 1.00 50.42 0.241 C 467 | ATOM 476 O GLU X 49 -23.049 32.094 -0.142 1.00 49.02 -0.271 OA 468 | ATOM 477 CB GLU X 49 -22.136 34.892 1.473 1.00 56.35 0.045 C 469 | ATOM 478 CG GLU X 49 -22.807 34.963 2.835 1.00 66.56 0.116 C 470 | ATOM 479 CD GLU X 49 -24.188 34.323 2.841 1.00 73.87 0.172 C 471 | ATOM 480 OE1 GLU X 49 -24.280 33.081 2.672 1.00 76.16 -0.648 OA 472 | ATOM 481 OE2 GLU X 49 -25.185 35.065 3.013 1.00 75.47 -0.648 OA 473 | ATOM 482 N SER X 50 -21.852 33.618 -1.296 1.00 49.37 -0.344 N 474 | ATOM 483 HN SER X 50 -21.165 34.371 -1.250 1.00 0.00 0.163 HD 475 | ATOM 484 CA SER X 50 -22.400 33.239 -2.592 1.00 47.73 0.200 C 476 | ATOM 485 C SER X 50 -21.942 31.856 -3.014 1.00 44.06 0.243 C 477 | ATOM 486 O SER X 50 -22.760 30.972 -3.253 1.00 42.09 -0.271 OA 478 | ATOM 487 CB SER X 50 -21.985 34.257 -3.654 1.00 49.78 0.199 C 479 | ATOM 488 OG SER X 50 -22.445 35.550 -3.304 1.00 55.82 -0.398 OA 480 | ATOM 489 HG SER X 50 -22.187 36.183 -3.964 1.00 0.00 0.209 HD 481 | ATOM 490 N PHE X 51 -20.633 31.669 -3.111 1.00 37.98 -0.346 N 482 | ATOM 491 HN PHE X 51 -19.988 32.432 -2.906 1.00 0.00 0.163 HD 483 | ATOM 492 CA PHE X 51 -20.125 30.371 -3.511 1.00 32.68 0.180 C 484 | ATOM 493 C PHE X 51 -20.965 29.321 -2.803 1.00 33.31 0.241 C 485 | ATOM 494 O PHE X 51 -21.496 28.398 -3.417 1.00 33.88 -0.271 OA 486 | ATOM 495 CB PHE X 51 -18.665 30.220 -3.089 1.00 28.22 0.073 C 487 | ATOM 496 CG PHE X 51 -17.970 29.058 -3.727 1.00 24.03 -0.056 A 488 | ATOM 497 CD1 PHE X 51 -17.789 29.020 -5.101 1.00 23.29 0.007 A 489 | ATOM 498 CD2 PHE X 51 -17.493 28.016 -2.964 1.00 22.27 0.007 A 490 | ATOM 499 CE1 PHE X 51 -17.138 27.961 -5.702 1.00 23.03 0.001 A 491 | ATOM 500 CE2 PHE X 51 -16.839 26.944 -3.557 1.00 22.48 0.001 A 492 | ATOM 501 CZ PHE X 51 -16.659 26.915 -4.928 1.00 21.56 0.000 A 493 | ATOM 502 N LEU X 52 -21.105 29.499 -1.499 1.00 33.04 -0.346 N 494 | ATOM 503 HN LEU X 52 -20.663 30.306 -1.059 1.00 0.00 0.163 HD 495 | ATOM 504 CA LEU X 52 -21.873 28.575 -0.673 1.00 35.02 0.177 C 496 | ATOM 505 C LEU X 52 -23.347 28.395 -0.979 1.00 35.73 0.241 C 497 | ATOM 506 O LEU X 52 -23.974 27.482 -0.452 1.00 39.41 -0.271 OA 498 | ATOM 507 CB LEU X 52 -21.694 28.940 0.812 1.00 29.33 0.038 C 499 | ATOM 508 CG LEU X 52 -20.299 28.538 1.330 1.00 29.16 -0.020 C 500 | ATOM 509 CD1 LEU X 52 -20.011 29.204 2.657 1.00 26.85 0.009 C 501 | ATOM 510 CD2 LEU X 52 -20.242 27.013 1.437 1.00 24.32 0.009 C 502 | ATOM 511 N GLU X 53 -23.915 29.248 -1.817 1.00 39.47 -0.346 N 503 | ATOM 512 HN GLU X 53 -23.365 29.999 -2.235 1.00 0.00 0.163 HD 504 | ATOM 513 CA GLU X 53 -25.341 29.108 -2.142 1.00 40.46 0.177 C 505 | ATOM 514 C GLU X 53 -25.549 27.814 -2.917 1.00 37.66 0.241 C 506 | ATOM 515 O GLU X 53 -26.642 27.251 -2.928 1.00 36.33 -0.271 OA 507 | ATOM 516 CB GLU X 53 -25.837 30.288 -2.983 1.00 43.92 0.045 C 508 | ATOM 517 CG GLU X 53 -25.720 31.636 -2.302 1.00 50.90 0.116 C 509 | ATOM 518 CD GLU X 53 -26.347 32.755 -3.109 1.00 57.17 0.172 C 510 | ATOM 519 OE1 GLU X 53 -26.050 32.863 -4.322 1.00 59.56 -0.648 OA 511 | ATOM 520 OE2 GLU X 53 -27.135 33.536 -2.527 1.00 59.26 -0.648 OA 512 | ATOM 521 N GLU X 54 -24.490 27.347 -3.569 1.00 34.16 -0.346 N 513 | ATOM 522 HN GLU X 54 -23.608 27.857 -3.530 1.00 0.00 0.163 HD 514 | ATOM 524 C GLU X 54 -24.607 24.947 -3.364 1.00 32.95 0.241 C 515 | ATOM 525 O GLU X 54 -25.368 24.002 -3.537 1.00 34.35 -0.271 OA 516 | ATOM 531 N ALA X 55 -23.781 25.023 -2.331 1.00 33.39 -0.346 N 517 | ATOM 532 HN ALA X 55 -23.182 25.843 -2.234 1.00 0.00 0.163 HD 518 | ATOM 533 CA ALA X 55 -23.704 23.969 -1.331 1.00 32.05 0.172 C 519 | ATOM 534 C ALA X 55 -24.998 23.897 -0.548 1.00 31.88 0.240 C 520 | ATOM 535 O ALA X 55 -25.427 22.825 -0.133 1.00 29.09 -0.271 OA 521 | ATOM 536 CB ALA X 55 -22.539 24.226 -0.390 1.00 32.68 0.042 C 522 | ATOM 537 N GLN X 56 -25.624 25.046 -0.346 1.00 34.19 -0.346 N 523 | ATOM 538 HN GLN X 56 -25.222 25.908 -0.713 1.00 0.00 0.163 HD 524 | ATOM 539 CA GLN X 56 -26.878 25.097 0.393 1.00 39.91 0.177 C 525 | ATOM 540 C GLN X 56 -27.975 24.341 -0.352 1.00 40.33 0.241 C 526 | ATOM 541 O GLN X 56 -28.772 23.613 0.245 1.00 43.58 -0.271 OA 527 | ATOM 542 CB GLN X 56 -27.297 26.551 0.612 1.00 41.43 0.044 C 528 | ATOM 543 CG GLN X 56 -27.694 26.843 2.041 1.00 48.06 0.105 C 529 | ATOM 544 CD GLN X 56 -26.654 26.367 3.044 1.00 52.84 0.215 C 530 | ATOM 545 NE2 GLN X 56 -26.053 27.309 3.762 1.00 56.58 -0.370 N 531 | ATOM 546 1HE2 GLN X 56 -25.356 26.990 4.435 1.00 0.00 0.159 HD 532 | ATOM 547 2HE2 GLN X 56 -26.269 28.300 3.659 1.00 0.00 0.159 HD 533 | ATOM 548 OE1 GLN X 56 -26.392 25.166 3.169 1.00 56.28 -0.274 OA 534 | ATOM 549 N ILE X 57 -28.005 24.524 -1.664 1.00 40.26 -0.346 N 535 | ATOM 550 HN ILE X 57 -27.317 25.149 -2.084 1.00 0.00 0.163 HD 536 | ATOM 551 CA ILE X 57 -28.978 23.872 -2.536 1.00 34.84 0.180 C 537 | ATOM 552 C ILE X 57 -28.673 22.373 -2.585 1.00 33.17 0.241 C 538 | ATOM 553 O ILE X 57 -29.587 21.542 -2.563 1.00 30.85 -0.271 OA 539 | ATOM 554 CB ILE X 57 -28.891 24.431 -3.978 1.00 36.46 0.013 C 540 | ATOM 555 CG1 ILE X 57 -29.687 25.735 -4.080 1.00 39.11 0.002 C 541 | ATOM 556 CG2 ILE X 57 -29.381 23.401 -4.976 1.00 35.14 0.012 C 542 | ATOM 557 CD1 ILE X 57 -29.863 26.225 -5.499 1.00 41.89 0.005 C 543 | ATOM 558 N MET X 58 -27.385 22.040 -2.645 1.00 28.50 -0.346 N 544 | ATOM 559 HN MET X 58 -26.680 22.777 -2.656 1.00 0.00 0.163 HD 545 | ATOM 561 C MET X 58 -27.360 19.812 -1.483 1.00 30.12 0.241 C 546 | ATOM 562 O MET X 58 -27.621 18.613 -1.619 1.00 31.38 -0.271 OA 547 | ATOM 567 N LYS X 59 -27.413 20.440 -0.313 1.00 30.65 -0.346 N 548 | ATOM 568 HN LYS X 59 -27.188 21.434 -0.277 1.00 0.00 0.163 HD 549 | ATOM 569 CA LYS X 59 -27.781 19.758 0.919 1.00 30.51 0.176 C 550 | ATOM 570 C LYS X 59 -29.288 19.508 0.942 1.00 33.64 0.241 C 551 | ATOM 571 O LYS X 59 -29.782 18.769 1.785 1.00 34.42 -0.271 OA 552 | ATOM 572 CB LYS X 59 -27.445 20.637 2.127 1.00 31.91 0.035 C 553 | ATOM 573 CG LYS X 59 -26.035 21.206 2.186 1.00 33.38 0.004 C 554 | ATOM 574 CD LYS X 59 -25.945 22.204 3.331 1.00 35.44 0.027 C 555 | ATOM 575 CE LYS X 59 -24.528 22.729 3.531 1.00 42.24 0.229 C 556 | ATOM 576 NZ LYS X 59 -24.439 23.706 4.670 1.00 42.60 -0.079 N 557 | ATOM 577 HZ1 LYS X 59 -23.491 24.057 4.804 1.00 0.00 0.274 HD 558 | ATOM 578 HZ2 LYS X 59 -24.808 23.303 5.531 1.00 0.00 0.274 HD 559 | ATOM 579 HZ3 LYS X 59 -25.103 24.472 4.552 1.00 0.00 0.274 HD 560 | ATOM 580 N LYS X 60 -30.011 20.148 0.026 1.00 37.67 -0.346 N 561 | ATOM 581 HN LYS X 60 -29.532 20.754 -0.640 1.00 0.00 0.163 HD 562 | ATOM 582 CA LYS X 60 -31.464 20.017 -0.063 1.00 40.91 0.176 C 563 | ATOM 583 C LYS X 60 -31.900 19.094 -1.196 1.00 43.38 0.241 C 564 | ATOM 584 O LYS X 60 -33.060 18.676 -1.246 1.00 42.60 -0.271 OA 565 | ATOM 585 CB LYS X 60 -32.087 21.400 -0.273 1.00 44.52 0.035 C 566 | ATOM 586 CG LYS X 60 -33.389 21.658 0.493 1.00 53.08 0.004 C 567 | ATOM 587 CD LYS X 60 -34.441 20.562 0.250 1.00 58.54 0.027 C 568 | ATOM 588 CE LYS X 60 -35.887 21.103 0.279 1.00 58.31 0.229 C 569 | ATOM 589 NZ LYS X 60 -36.342 21.666 1.589 1.00 59.32 -0.079 N 570 | ATOM 590 HZ1 LYS X 60 -37.297 22.023 1.608 1.00 0.00 0.274 HD 571 | ATOM 591 HZ2 LYS X 60 -35.694 22.389 1.902 1.00 0.00 0.274 HD 572 | ATOM 592 HZ3 LYS X 60 -36.214 20.975 2.328 1.00 0.00 0.274 HD 573 | ATOM 593 N LEU X 61 -30.980 18.794 -2.110 1.00 42.61 -0.346 N 574 | ATOM 594 HN LEU X 61 -30.042 19.185 -2.017 1.00 0.00 0.163 HD 575 | ATOM 595 CA LEU X 61 -31.278 17.917 -3.246 1.00 42.36 0.177 C 576 | ATOM 596 C LEU X 61 -30.480 16.624 -3.170 1.00 43.90 0.241 C 577 | ATOM 597 O LEU X 61 -29.248 16.641 -3.246 1.00 51.23 -0.271 OA 578 | ATOM 598 CB LEU X 61 -30.945 18.620 -4.562 1.00 40.66 0.038 C 579 | ATOM 599 CG LEU X 61 -31.694 19.911 -4.898 1.00 40.04 -0.020 C 580 | ATOM 600 CD1 LEU X 61 -31.097 20.514 -6.158 1.00 37.08 0.009 C 581 | ATOM 601 CD2 LEU X 61 -33.183 19.622 -5.083 1.00 39.74 0.009 C 582 | ATOM 602 N LYS X 62 -31.178 15.506 -3.030 1.00 42.95 -0.346 N 583 | ATOM 603 HN LYS X 62 -32.196 15.552 -2.978 1.00 0.00 0.163 HD 584 | ATOM 604 CA LYS X 62 -30.516 14.218 -2.949 1.00 43.53 0.176 C 585 | ATOM 605 C LYS X 62 -31.255 13.240 -3.847 1.00 42.31 0.241 C 586 | ATOM 606 O LYS X 62 -32.407 12.884 -3.588 1.00 41.53 -0.271 OA 587 | ATOM 607 CB LYS X 62 -30.497 13.730 -1.500 1.00 50.23 0.035 C 588 | ATOM 608 CG LYS X 62 -29.794 14.709 -0.532 1.00 60.76 0.004 C 589 | ATOM 609 CD LYS X 62 -29.916 14.259 0.927 1.00 64.89 0.027 C 590 | ATOM 610 CE LYS X 62 -29.125 15.147 1.890 1.00 66.14 0.229 C 591 | ATOM 611 NZ LYS X 62 -29.163 14.609 3.293 1.00 67.58 -0.079 N 592 | ATOM 612 HZ1 LYS X 62 -28.636 15.201 3.935 1.00 0.00 0.274 HD 593 | ATOM 613 HZ2 LYS X 62 -28.843 13.641 3.330 1.00 0.00 0.274 HD 594 | ATOM 614 HZ3 LYS X 62 -30.121 14.472 3.614 1.00 0.00 0.274 HD 595 | ATOM 615 N HIS X 63 -30.583 12.840 -4.927 1.00 39.61 -0.346 N 596 | ATOM 616 HN HIS X 63 -29.642 13.206 -5.071 1.00 0.00 0.163 HD 597 | ATOM 617 CA HIS X 63 -31.117 11.910 -5.912 1.00 33.49 0.182 C 598 | ATOM 618 C HIS X 63 -29.933 11.108 -6.421 1.00 36.45 0.241 C 599 | ATOM 619 O HIS X 63 -28.797 11.605 -6.424 1.00 38.67 -0.271 OA 600 | ATOM 620 CB HIS X 63 -31.771 12.686 -7.043 1.00 30.31 0.093 C 601 | ATOM 621 CG HIS X 63 -32.560 11.832 -7.982 1.00 31.90 0.028 A 602 | ATOM 622 CD2 HIS X 63 -33.895 11.723 -8.174 1.00 30.15 0.114 A 603 | ATOM 623 ND1 HIS X 63 -31.974 10.913 -8.820 1.00 31.59 -0.354 N 604 | ATOM 624 HD1 HIS X 63 -30.971 10.752 -8.911 1.00 0.00 0.166 HD 605 | ATOM 625 CE1 HIS X 63 -32.915 10.271 -9.488 1.00 32.47 0.180 A 606 | ATOM 626 NE2 HIS X 63 -34.088 10.743 -9.113 1.00 31.85 -0.360 N 607 | ATOM 627 HE2 HIS X 63 -34.993 10.430 -9.465 1.00 0.00 0.166 HD 608 | ATOM 628 N ASP X 64 -30.172 9.872 -6.853 1.00 40.13 -0.345 N 609 | ATOM 629 HN ASP X 64 -31.122 9.502 -6.843 1.00 0.00 0.163 HD 610 | ATOM 630 CA ASP X 64 -29.068 9.046 -7.342 1.00 41.95 0.186 C 611 | ATOM 631 C ASP X 64 -28.464 9.488 -8.663 1.00 38.52 0.241 C 612 | ATOM 632 O ASP X 64 -27.325 9.153 -8.960 1.00 37.81 -0.271 OA 613 | ATOM 633 CB ASP X 64 -29.488 7.583 -7.441 1.00 50.25 0.147 C 614 | ATOM 634 CG ASP X 64 -28.299 6.653 -7.643 1.00 58.35 0.175 C 615 | ATOM 635 OD1 ASP X 64 -27.690 6.673 -8.737 1.00 60.64 -0.648 OA 616 | ATOM 636 OD2 ASP X 64 -27.962 5.907 -6.699 1.00 62.12 -0.648 OA 617 | ATOM 637 N LYS X 65 -29.220 10.241 -9.455 1.00 37.44 -0.346 N 618 | ATOM 638 HN LYS X 65 -30.164 10.496 -9.164 1.00 0.00 0.163 HD 619 | ATOM 639 CA LYS X 65 -28.709 10.703 -10.733 1.00 35.72 0.176 C 620 | ATOM 640 C LYS X 65 -28.247 12.150 -10.614 1.00 33.95 0.241 C 621 | ATOM 641 O LYS X 65 -28.176 12.881 -11.608 1.00 31.53 -0.271 OA 622 | ATOM 642 CB LYS X 65 -29.766 10.552 -11.828 1.00 34.64 0.035 C 623 | ATOM 643 CG LYS X 65 -30.225 9.112 -12.054 1.00 33.53 0.004 C 624 | ATOM 644 CD LYS X 65 -29.056 8.162 -12.284 1.00 34.64 0.027 C 625 | ATOM 645 CE LYS X 65 -29.563 6.729 -12.483 1.00 40.07 0.229 C 626 | ATOM 646 NZ LYS X 65 -28.468 5.711 -12.574 1.00 39.06 -0.079 N 627 | ATOM 647 HZ1 LYS X 65 -28.805 4.758 -12.706 1.00 0.00 0.274 HD 628 | ATOM 648 HZ2 LYS X 65 -27.856 5.767 -11.760 1.00 0.00 0.274 HD 629 | ATOM 649 HZ3 LYS X 65 -27.803 5.962 -13.305 1.00 0.00 0.274 HD 630 | ATOM 650 N LEU X 66 -27.940 12.548 -9.384 1.00 32.07 -0.346 N 631 | ATOM 651 HN LEU X 66 -28.040 11.881 -8.618 1.00 0.00 0.163 HD 632 | ATOM 652 CA LEU X 66 -27.467 13.894 -9.077 1.00 31.82 0.177 C 633 | ATOM 653 C LEU X 66 -26.209 13.785 -8.227 1.00 30.96 0.241 C 634 | ATOM 654 O LEU X 66 -26.227 13.144 -7.173 1.00 35.03 -0.271 OA 635 | ATOM 655 CB LEU X 66 -28.499 14.680 -8.275 1.00 29.37 0.038 C 636 | ATOM 656 CG LEU X 66 -29.368 15.678 -9.021 1.00 29.87 -0.020 C 637 | ATOM 657 CD1 LEU X 66 -30.304 14.928 -9.950 1.00 31.01 0.009 C 638 | ATOM 658 CD2 LEU X 66 -30.152 16.518 -8.037 1.00 29.97 0.009 C 639 | ATOM 659 N VAL X 67 -25.121 14.398 -8.672 1.00 28.61 -0.346 N 640 | ATOM 660 HN VAL X 67 -25.157 14.907 -9.555 1.00 0.00 0.163 HD 641 | ATOM 661 CA VAL X 67 -23.873 14.357 -7.919 1.00 28.01 0.180 C 642 | ATOM 662 C VAL X 67 -24.140 14.736 -6.464 1.00 29.35 0.241 C 643 | ATOM 663 O VAL X 67 -24.652 15.815 -6.168 1.00 28.94 -0.271 OA 644 | ATOM 664 CB VAL X 67 -22.844 15.346 -8.467 1.00 26.72 0.009 C 645 | ATOM 665 CG1 VAL X 67 -21.622 15.363 -7.565 1.00 19.71 0.012 C 646 | ATOM 666 CG2 VAL X 67 -22.477 14.966 -9.900 1.00 29.94 0.012 C 647 | ATOM 667 N GLN X 68 -23.779 13.842 -5.553 1.00 31.08 -0.346 N 648 | ATOM 668 HN GLN X 68 -23.348 12.969 -5.857 1.00 0.00 0.163 HD 649 | ATOM 669 CA GLN X 68 -23.983 14.076 -4.128 1.00 30.03 0.177 C 650 | ATOM 670 C GLN X 68 -22.900 14.872 -3.398 1.00 28.86 0.241 C 651 | ATOM 671 O GLN X 68 -21.700 14.713 -3.650 1.00 23.91 -0.271 OA 652 | ATOM 672 CB GLN X 68 -24.185 12.731 -3.421 1.00 30.36 0.044 C 653 | ATOM 673 CG GLN X 68 -25.617 12.485 -2.987 1.00 38.80 0.105 C 654 | ATOM 674 CD GLN X 68 -25.966 13.196 -1.699 1.00 41.09 0.215 C 655 | ATOM 675 NE2 GLN X 68 -26.520 12.450 -0.748 1.00 46.56 -0.370 N 656 | ATOM 676 1HE2 GLN X 68 -26.699 11.453 -0.865 1.00 0.00 0.159 HD 657 | ATOM 677 2HE2 GLN X 68 -26.755 12.930 0.121 1.00 0.00 0.159 HD 658 | ATOM 678 OE1 GLN X 68 -25.749 14.404 -1.557 1.00 43.75 -0.274 OA 659 | ATOM 679 N LEU X 69 -23.359 15.724 -2.487 1.00 28.28 -0.346 N 660 | ATOM 680 HN LEU X 69 -24.367 15.790 -2.349 1.00 0.00 0.163 HD 661 | ATOM 681 CA LEU X 69 -22.491 16.567 -1.677 1.00 28.45 0.177 C 662 | ATOM 682 C LEU X 69 -22.013 15.726 -0.491 1.00 28.39 0.241 C 663 | ATOM 683 O LEU X 69 -22.814 15.053 0.153 1.00 30.24 -0.271 OA 664 | ATOM 684 CB LEU X 69 -23.279 17.774 -1.151 1.00 27.87 0.038 C 665 | ATOM 685 CG LEU X 69 -22.466 18.710 -0.255 1.00 25.51 -0.020 C 666 | ATOM 686 CD1 LEU X 69 -21.374 19.343 -1.085 1.00 22.92 0.009 C 667 | ATOM 687 CD2 LEU X 69 -23.358 19.762 0.351 1.00 27.11 0.009 C 668 | ATOM 688 N TYR X 70 -20.714 15.761 -0.207 1.00 29.46 -0.346 N 669 | ATOM 689 HN TYR X 70 -20.091 16.332 -0.777 1.00 0.00 0.163 HD 670 | ATOM 690 CA TYR X 70 -20.165 14.992 0.912 1.00 29.53 0.180 C 671 | ATOM 691 C TYR X 70 -19.913 15.880 2.115 1.00 28.61 0.241 C 672 | ATOM 692 O TYR X 70 -20.206 15.501 3.247 1.00 29.15 -0.271 OA 673 | ATOM 693 CB TYR X 70 -18.852 14.302 0.514 1.00 28.55 0.073 C 674 | ATOM 694 CG TYR X 70 -19.027 13.018 -0.275 1.00 34.73 -0.056 A 675 | ATOM 695 CD1 TYR X 70 -17.918 12.332 -0.769 1.00 36.51 0.010 A 676 | ATOM 696 CD2 TYR X 70 -20.293 12.479 -0.512 1.00 35.19 0.010 A 677 | ATOM 697 CE1 TYR X 70 -18.059 11.150 -1.470 1.00 38.53 0.037 A 678 | ATOM 698 CE2 TYR X 70 -20.446 11.297 -1.213 1.00 38.59 0.037 A 679 | ATOM 699 CZ TYR X 70 -19.321 10.635 -1.690 1.00 40.58 0.065 A 680 | ATOM 700 OH TYR X 70 -19.450 9.452 -2.399 1.00 43.71 -0.361 OA 681 | ATOM 701 HH TYR X 70 -18.681 8.999 -2.725 1.00 0.00 0.217 HD 682 | ATOM 702 N ALA X 71 -19.370 17.064 1.872 1.00 28.41 -0.346 N 683 | ATOM 703 HN ALA X 71 -19.147 17.334 0.914 1.00 0.00 0.163 HD 684 | ATOM 704 CA ALA X 71 -19.091 17.979 2.966 1.00 26.85 0.172 C 685 | ATOM 705 C ALA X 71 -18.744 19.347 2.416 1.00 27.04 0.240 C 686 | ATOM 706 O ALA X 71 -18.796 19.576 1.205 1.00 30.04 -0.271 OA 687 | ATOM 707 CB ALA X 71 -17.935 17.451 3.791 1.00 23.44 0.042 C 688 | ATOM 708 N VAL X 72 -18.385 20.252 3.319 1.00 26.79 -0.346 N 689 | ATOM 709 HN VAL X 72 -18.370 19.989 4.304 1.00 0.00 0.163 HD 690 | ATOM 710 CA VAL X 72 -18.013 21.603 2.946 1.00 23.53 0.180 C 691 | ATOM 711 C VAL X 72 -17.002 22.118 3.966 1.00 22.71 0.241 C 692 | ATOM 712 O VAL X 72 -17.090 21.788 5.146 1.00 19.32 -0.271 OA 693 | ATOM 713 CB VAL X 72 -19.210 22.574 2.983 1.00 20.72 0.009 C 694 | ATOM 714 CG1 VAL X 72 -20.424 21.956 2.305 1.00 21.47 0.012 C 695 | ATOM 715 CG2 VAL X 72 -19.541 22.922 4.401 1.00 25.41 0.012 C 696 | ATOM 716 N VAL X 73 -16.032 22.895 3.491 1.00 21.59 -0.346 N 697 | ATOM 717 HN VAL X 73 -16.009 23.082 2.489 1.00 0.00 0.163 HD 698 | ATOM 718 CA VAL X 73 -15.001 23.492 4.328 1.00 24.34 0.180 C 699 | ATOM 719 C VAL X 73 -15.335 24.981 4.181 1.00 26.01 0.241 C 700 | ATOM 720 O VAL X 73 -14.940 25.634 3.204 1.00 22.39 -0.271 OA 701 | ATOM 721 CB VAL X 73 -13.578 23.167 3.811 1.00 24.08 0.009 C 702 | ATOM 722 CG1 VAL X 73 -12.551 24.078 4.468 1.00 21.52 0.012 C 703 | ATOM 723 CG2 VAL X 73 -13.235 21.724 4.148 1.00 23.80 0.012 C 704 | ATOM 724 N SER X 74 -16.099 25.484 5.156 1.00 29.18 -0.344 N 705 | ATOM 725 HN SER X 74 -16.382 24.862 5.913 1.00 0.00 0.163 HD 706 | ATOM 726 CA SER X 74 -16.553 26.875 5.202 1.00 35.92 0.200 C 707 | ATOM 727 C SER X 74 -15.572 28.015 5.424 1.00 40.49 0.243 C 708 | ATOM 728 O SER X 74 -15.968 29.181 5.432 1.00 43.40 -0.271 OA 709 | ATOM 729 CB SER X 74 -17.677 26.981 6.217 1.00 36.60 0.199 C 710 | ATOM 730 OG SER X 74 -18.725 26.101 5.861 1.00 41.61 -0.398 OA 711 | ATOM 731 HG SER X 74 -19.428 26.167 6.496 1.00 0.00 0.209 HD 712 | ATOM 732 N GLU X 75 -14.300 27.698 5.613 1.00 46.21 -0.346 N 713 | ATOM 733 HN GLU X 75 -14.015 26.718 5.613 1.00 0.00 0.163 HD 714 | ATOM 734 CA GLU X 75 -13.311 28.736 5.820 1.00 46.31 0.177 C 715 | ATOM 735 C GLU X 75 -12.553 28.906 4.515 1.00 46.04 0.241 C 716 | ATOM 736 O GLU X 75 -12.312 27.940 3.792 1.00 42.31 -0.271 OA 717 | ATOM 737 CB GLU X 75 -12.377 28.345 6.966 1.00 52.14 0.045 C 718 | ATOM 738 CG GLU X 75 -13.070 28.397 8.326 1.00 58.73 0.116 C 719 | ATOM 739 CD GLU X 75 -13.514 29.809 8.695 1.00 65.10 0.172 C 720 | ATOM 740 OE1 GLU X 75 -14.217 30.453 7.883 1.00 65.68 -0.648 OA 721 | ATOM 741 OE2 GLU X 75 -13.159 30.279 9.802 1.00 69.79 -0.648 OA 722 | ATOM 742 N GLU X 76 -12.199 30.150 4.217 1.00 45.61 -0.346 N 723 | ATOM 743 HN GLU X 76 -12.449 30.897 4.865 1.00 0.00 0.163 HD 724 | ATOM 744 CA GLU X 76 -11.468 30.495 3.004 1.00 45.18 0.177 C 725 | ATOM 745 C GLU X 76 -10.106 29.811 2.931 1.00 42.08 0.243 C 726 | ATOM 746 O GLU X 76 -9.347 29.821 3.899 1.00 48.61 -0.271 OA 727 | ATOM 747 CB GLU X 76 -11.291 32.016 2.931 1.00 48.29 0.045 C 728 | ATOM 748 CG GLU X 76 -12.593 32.803 3.036 1.00 56.01 0.116 C 729 | ATOM 749 CD GLU X 76 -12.389 34.310 2.917 1.00 62.73 0.172 C 730 | ATOM 750 OE1 GLU X 76 -11.717 34.902 3.791 1.00 67.09 -0.648 OA 731 | ATOM 751 OE2 GLU X 76 -12.901 34.910 1.942 1.00 64.77 -0.648 OA 732 | ATOM 752 N PRO X 77 -9.797 29.176 1.790 1.00 36.78 -0.337 N 733 | ATOM 753 CA PRO X 77 -10.672 29.083 0.609 1.00 37.68 0.179 C 734 | ATOM 754 C PRO X 77 -11.778 28.038 0.802 1.00 36.90 0.241 C 735 | ATOM 755 O PRO X 77 -11.538 26.945 1.305 1.00 36.96 -0.271 OA 736 | ATOM 756 CB PRO X 77 -9.708 28.695 -0.508 1.00 38.37 0.037 C 737 | ATOM 757 CG PRO X 77 -8.695 27.851 0.220 1.00 36.74 0.022 C 738 | ATOM 758 CD PRO X 77 -8.455 28.652 1.484 1.00 32.95 0.127 C 739 | ATOM 759 N ILE X 78 -12.990 28.385 0.390 1.00 35.60 -0.346 N 740 | ATOM 760 HN ILE X 78 -13.127 29.304 -0.031 1.00 0.00 0.163 HD 741 | ATOM 761 CA ILE X 78 -14.127 27.491 0.523 1.00 32.10 0.180 C 742 | ATOM 762 C ILE X 78 -13.965 26.195 -0.253 1.00 29.74 0.241 C 743 | ATOM 763 O ILE X 78 -13.280 26.147 -1.268 1.00 27.44 -0.271 OA 744 | ATOM 764 CB ILE X 78 -15.425 28.183 0.081 1.00 30.76 0.013 C 745 | ATOM 765 CG1 ILE X 78 -15.592 29.468 0.887 1.00 26.60 0.002 C 746 | ATOM 766 CG2 ILE X 78 -16.638 27.257 0.303 1.00 34.19 0.012 C 747 | ATOM 767 CD1 ILE X 78 -15.406 29.256 2.354 1.00 23.22 0.005 C 748 | ATOM 768 N TYR X 79 -14.613 25.145 0.237 1.00 30.03 -0.346 N 749 | ATOM 769 HN TYR X 79 -15.169 25.263 1.084 1.00 0.00 0.163 HD 750 | ATOM 770 CA TYR X 79 -14.560 23.826 -0.390 1.00 30.21 0.180 C 751 | ATOM 771 C TYR X 79 -15.936 23.168 -0.418 1.00 29.32 0.241 C 752 | ATOM 772 O TYR X 79 -16.708 23.259 0.539 1.00 31.18 -0.271 OA 753 | ATOM 773 CB TYR X 79 -13.631 22.898 0.386 1.00 33.45 0.073 C 754 | ATOM 774 CG TYR X 79 -12.160 22.944 0.021 1.00 37.43 -0.056 A 755 | ATOM 775 CD1 TYR X 79 -11.635 23.950 -0.771 1.00 36.28 0.010 A 756 | ATOM 776 CD2 TYR X 79 -11.285 21.984 0.530 1.00 39.83 0.010 A 757 | ATOM 777 CE1 TYR X 79 -10.273 24.004 -1.043 1.00 39.68 0.037 A 758 | ATOM 778 CE2 TYR X 79 -9.936 22.033 0.263 1.00 41.19 0.037 A 759 | ATOM 779 CZ TYR X 79 -9.432 23.046 -0.520 1.00 41.14 0.065 A 760 | ATOM 780 OH TYR X 79 -8.068 23.099 -0.742 1.00 40.45 -0.361 OA 761 | ATOM 781 HH TYR X 79 -7.720 23.798 -1.283 1.00 0.00 0.217 HD 762 | ATOM 782 N ILE X 80 -16.246 22.510 -1.525 1.00 26.43 -0.346 N 763 | ATOM 783 HN ILE X 80 -15.576 22.480 -2.294 1.00 0.00 0.163 HD 764 | ATOM 784 CA ILE X 80 -17.518 21.832 -1.665 1.00 24.57 0.180 C 765 | ATOM 785 C ILE X 80 -17.060 20.420 -2.022 1.00 25.67 0.241 C 766 | ATOM 786 O ILE X 80 -16.683 20.151 -3.158 1.00 27.77 -0.271 OA 767 | ATOM 787 CB ILE X 80 -18.350 22.374 -2.805 1.00 24.30 0.013 C 768 | ATOM 788 CG1 ILE X 80 -18.560 23.873 -2.635 1.00 24.26 0.002 C 769 | ATOM 789 CG2 ILE X 80 -19.700 21.685 -2.816 1.00 24.87 0.012 C 770 | ATOM 790 CD1 ILE X 80 -19.646 24.211 -1.674 1.00 28.99 0.005 C 771 | ATOM 791 N VAL X 81 -17.059 19.522 -1.047 1.00 22.37 -0.346 N 772 | ATOM 792 HN VAL X 81 -17.363 19.786 -0.110 1.00 0.00 0.163 HD 773 | ATOM 793 CA VAL X 81 -16.629 18.176 -1.311 1.00 23.93 0.180 C 774 | ATOM 794 C VAL X 81 -17.800 17.336 -1.774 1.00 25.79 0.241 C 775 | ATOM 795 O VAL X 81 -18.852 17.303 -1.122 1.00 27.54 -0.271 OA 776 | ATOM 796 CB VAL X 81 -15.949 17.588 -0.071 1.00 27.00 0.009 C 777 | ATOM 797 CG1 VAL X 81 -14.519 18.115 0.020 1.00 30.55 0.012 C 778 | ATOM 798 CG2 VAL X 81 -16.684 18.013 1.182 1.00 27.87 0.012 C 779 | ATOM 799 N THR X 82 -17.622 16.660 -2.911 1.00 24.91 -0.344 N 780 | ATOM 800 HN THR X 82 -16.730 16.727 -3.402 1.00 0.00 0.163 HD 781 | ATOM 801 CA THR X 82 -18.681 15.830 -3.459 1.00 23.43 0.205 C 782 | ATOM 802 C THR X 82 -18.214 14.495 -4.019 1.00 25.83 0.243 C 783 | ATOM 803 O THR X 82 -17.032 14.190 -4.079 1.00 28.17 -0.271 OA 784 | ATOM 804 CB THR X 82 -19.411 16.553 -4.611 1.00 23.00 0.146 C 785 | ATOM 805 CG2 THR X 82 -19.605 18.031 -4.279 1.00 18.80 0.042 C 786 | ATOM 806 OG1 THR X 82 -18.634 16.431 -5.819 1.00 16.95 -0.393 OA 787 | ATOM 807 HG1 THR X 82 -18.513 15.512 -6.026 1.00 0.00 0.210 HD 788 | ATOM 808 N GLU X 83 -19.183 13.705 -4.450 1.00 26.27 -0.346 N 789 | ATOM 809 HN GLU X 83 -20.149 14.025 -4.379 1.00 0.00 0.163 HD 790 | ATOM 810 CA GLU X 83 -18.918 12.398 -5.020 1.00 29.65 0.177 C 791 | ATOM 811 C GLU X 83 -18.035 12.529 -6.274 1.00 29.76 0.241 C 792 | ATOM 812 O GLU X 83 -18.206 13.445 -7.073 1.00 28.39 -0.271 OA 793 | ATOM 813 CB GLU X 83 -20.260 11.753 -5.345 1.00 33.76 0.045 C 794 | ATOM 814 CG GLU X 83 -20.240 10.585 -6.292 1.00 37.87 0.116 C 795 | ATOM 815 CD GLU X 83 -21.645 10.035 -6.501 1.00 43.92 0.172 C 796 | ATOM 816 OE1 GLU X 83 -22.580 10.845 -6.761 1.00 37.51 -0.648 OA 797 | ATOM 817 OE2 GLU X 83 -21.813 8.800 -6.388 1.00 47.10 -0.648 OA 798 | ATOM 818 N TYR X 84 -17.088 11.607 -6.423 1.00 27.31 -0.346 N 799 | ATOM 819 HN TYR X 84 -17.001 10.879 -5.714 1.00 0.00 0.163 HD 800 | ATOM 821 C TYR X 84 -16.647 10.685 -8.694 1.00 30.76 0.241 C 801 | ATOM 822 O TYR X 84 -16.917 9.511 -8.484 1.00 37.44 -0.271 OA 802 | ATOM 832 N MET X 85 -16.732 11.232 -9.901 1.00 31.05 -0.346 N 803 | ATOM 833 HN MET X 85 -16.479 12.213 -10.017 1.00 0.00 0.163 HD 804 | ATOM 834 CA MET X 85 -17.174 10.477 -11.065 1.00 31.96 0.177 C 805 | ATOM 835 C MET X 85 -15.972 10.101 -11.942 1.00 36.93 0.241 C 806 | ATOM 836 O MET X 85 -15.328 10.968 -12.529 1.00 38.51 -0.271 OA 807 | ATOM 837 CB MET X 85 -18.161 11.310 -11.867 1.00 31.81 0.045 C 808 | ATOM 838 CG MET X 85 -19.303 11.907 -11.056 1.00 31.83 0.076 C 809 | ATOM 839 SD MET X 85 -20.415 10.714 -10.278 1.00 40.14 -0.173 SA 810 | ATOM 840 CE MET X 85 -21.139 9.873 -11.742 1.00 29.94 0.089 C 811 | ATOM 841 N ASN X 86 -15.692 8.805 -12.043 1.00 40.33 -0.346 N 812 | ATOM 842 HN ASN X 86 -16.286 8.138 -11.550 1.00 0.00 0.163 HD 813 | ATOM 843 CA ASN X 86 -14.572 8.293 -12.828 1.00 43.92 0.185 C 814 | ATOM 844 C ASN X 86 -14.416 8.786 -14.263 1.00 43.93 0.241 C 815 | ATOM 845 O ASN X 86 -13.434 9.442 -14.605 1.00 47.43 -0.271 OA 816 | ATOM 846 CB ASN X 86 -14.621 6.765 -12.871 1.00 47.62 0.137 C 817 | ATOM 847 CG ASN X 86 -14.950 6.160 -11.537 1.00 54.56 0.217 C 818 | ATOM 848 ND2 ASN X 86 -13.994 5.424 -10.969 1.00 59.36 -0.370 N 819 | ATOM 849 1HD2 ASN X 86 -14.218 5.013 -10.063 1.00 0.00 0.159 HD 820 | ATOM 850 2HD2 ASN X 86 -13.088 5.262 -11.408 1.00 0.00 0.159 HD 821 | ATOM 851 OD1 ASN X 86 -16.047 6.356 -11.006 1.00 56.37 -0.274 OA 822 | ATOM 852 N LYS X 87 -15.389 8.440 -15.096 1.00 39.80 -0.346 N 823 | ATOM 853 HN LYS X 87 -16.166 7.891 -14.728 1.00 0.00 0.163 HD 824 | ATOM 854 CA LYS X 87 -15.410 8.802 -16.510 1.00 37.27 0.176 C 825 | ATOM 855 C LYS X 87 -15.351 10.286 -16.883 1.00 35.37 0.240 C 826 | ATOM 856 O LYS X 87 -15.030 10.634 -18.019 1.00 30.04 -0.271 OA 827 | ATOM 857 CB LYS X 87 -16.648 8.170 -17.152 1.00 39.94 0.035 C 828 | ATOM 858 CG LYS X 87 -16.940 6.760 -16.651 1.00 39.87 0.004 C 829 | ATOM 859 CD LYS X 87 -15.779 5.817 -16.893 1.00 42.91 0.027 C 830 | ATOM 860 CE LYS X 87 -16.052 4.449 -16.268 1.00 44.43 0.229 C 831 | ATOM 861 NZ LYS X 87 -16.323 4.557 -14.812 1.00 41.78 -0.079 N 832 | ATOM 862 HZ1 LYS X 87 -16.505 3.644 -14.395 1.00 0.00 0.274 HD 833 | ATOM 863 HZ2 LYS X 87 -17.082 5.211 -14.622 1.00 0.00 0.274 HD 834 | ATOM 864 HZ3 LYS X 87 -15.569 5.044 -14.328 1.00 0.00 0.274 HD 835 | ATOM 865 N GLY X 88 -15.673 11.155 -15.936 1.00 36.76 -0.351 N 836 | ATOM 866 HN GLY X 88 -15.937 10.822 -15.009 1.00 0.00 0.163 HD 837 | ATOM 867 CA GLY X 88 -15.651 12.577 -16.213 1.00 36.25 0.225 C 838 | ATOM 868 C GLY X 88 -16.837 13.056 -17.035 1.00 37.64 0.236 C 839 | ATOM 869 O GLY X 88 -17.868 12.384 -17.115 1.00 35.85 -0.272 OA 840 | ATOM 870 N SER X 89 -16.670 14.227 -17.647 1.00 38.11 -0.344 N 841 | ATOM 871 HN SER X 89 -15.774 14.703 -17.542 1.00 0.00 0.163 HD 842 | ATOM 872 CA SER X 89 -17.698 14.865 -18.459 1.00 35.84 0.200 C 843 | ATOM 873 C SER X 89 -18.299 14.000 -19.556 1.00 34.09 0.243 C 844 | ATOM 874 O SER X 89 -17.592 13.297 -20.275 1.00 33.28 -0.271 OA 845 | ATOM 875 CB SER X 89 -17.141 16.128 -19.098 1.00 37.71 0.199 C 846 | ATOM 876 OG SER X 89 -18.145 16.770 -19.856 1.00 41.37 -0.398 OA 847 | ATOM 877 HG SER X 89 -17.797 17.559 -20.255 1.00 0.00 0.209 HD 848 | ATOM 878 N LEU X 90 -19.617 14.069 -19.681 1.00 33.54 -0.346 N 849 | ATOM 879 HN LEU X 90 -20.140 14.677 -19.051 1.00 0.00 0.163 HD 850 | ATOM 880 CA LEU X 90 -20.344 13.308 -20.686 1.00 32.43 0.177 C 851 | ATOM 881 C LEU X 90 -19.875 13.777 -22.050 1.00 31.69 0.241 C 852 | ATOM 882 O LEU X 90 -19.708 12.983 -22.958 1.00 35.23 -0.271 OA 853 | ATOM 883 CB LEU X 90 -21.849 13.551 -20.544 1.00 31.85 0.038 C 854 | ATOM 884 CG LEU X 90 -22.758 12.905 -21.593 1.00 29.86 -0.020 C 855 | ATOM 885 CD1 LEU X 90 -22.528 11.407 -21.629 1.00 27.09 0.009 C 856 | ATOM 886 CD2 LEU X 90 -24.212 13.212 -21.259 1.00 25.84 0.009 C 857 | ATOM 887 N LEU X 91 -19.651 15.078 -22.172 1.00 32.19 -0.346 N 858 | ATOM 888 HN LEU X 91 -19.806 15.678 -21.362 1.00 0.00 0.163 HD 859 | ATOM 889 CA LEU X 91 -19.194 15.687 -23.411 1.00 33.51 0.177 C 860 | ATOM 890 C LEU X 91 -17.917 15.016 -23.918 1.00 36.00 0.241 C 861 | ATOM 891 O LEU X 91 -17.850 14.559 -25.063 1.00 34.52 -0.271 OA 862 | ATOM 892 CB LEU X 91 -18.918 17.182 -23.203 1.00 33.14 0.038 C 863 | ATOM 893 CG LEU X 91 -18.715 18.050 -24.463 1.00 34.02 -0.020 C 864 | ATOM 894 CD1 LEU X 91 -17.964 19.323 -24.099 1.00 33.97 0.009 C 865 | ATOM 895 CD2 LEU X 91 -17.932 17.277 -25.504 1.00 36.66 0.009 C 866 | ATOM 896 N ASP X 92 -16.903 14.969 -23.058 1.00 37.19 -0.346 N 867 | ATOM 897 HN ASP X 92 -17.029 15.374 -22.130 1.00 0.00 0.163 HD 868 | ATOM 898 CA ASP X 92 -15.618 14.362 -23.387 1.00 39.81 0.186 C 869 | ATOM 899 C ASP X 92 -15.651 12.834 -23.436 1.00 39.85 0.241 C 870 | ATOM 900 O ASP X 92 -14.752 12.203 -23.993 1.00 37.17 -0.271 OA 871 | ATOM 901 CB ASP X 92 -14.574 14.826 -22.375 1.00 42.77 0.147 C 872 | ATOM 902 CG ASP X 92 -14.436 16.339 -22.335 1.00 49.42 0.175 C 873 | ATOM 903 OD1 ASP X 92 -15.407 17.041 -22.705 1.00 55.30 -0.648 OA 874 | ATOM 904 OD2 ASP X 92 -13.365 16.836 -21.921 1.00 51.15 -0.648 OA 875 | ATOM 905 N PHE X 93 -16.683 12.241 -22.850 1.00 40.93 -0.346 N 876 | ATOM 906 HN PHE X 93 -17.398 12.811 -22.399 1.00 0.00 0.163 HD 877 | ATOM 907 CA PHE X 93 -16.813 10.791 -22.839 1.00 44.32 0.180 C 878 | ATOM 908 C PHE X 93 -17.261 10.354 -24.222 1.00 44.89 0.241 C 879 | ATOM 909 O PHE X 93 -16.928 9.262 -24.680 1.00 44.22 -0.271 OA 880 | ATOM 910 CB PHE X 93 -17.847 10.355 -21.795 1.00 47.21 0.073 C 881 | ATOM 911 CG PHE X 93 -17.937 8.867 -21.611 1.00 46.09 -0.056 A 882 | ATOM 912 CD1 PHE X 93 -16.827 8.136 -21.226 1.00 46.45 0.007 A 883 | ATOM 913 CD2 PHE X 93 -19.133 8.205 -21.813 1.00 47.61 0.007 A 884 | ATOM 914 CE1 PHE X 93 -16.907 6.762 -21.044 1.00 44.86 0.001 A 885 | ATOM 915 CE2 PHE X 93 -19.222 6.825 -21.632 1.00 46.44 0.001 A 886 | ATOM 916 CZ PHE X 93 -18.106 6.110 -21.247 1.00 44.29 0.000 A 887 | ATOM 917 N LEU X 94 -18.014 11.235 -24.878 1.00 46.02 -0.346 N 888 | ATOM 918 HN LEU X 94 -18.235 12.121 -24.422 1.00 0.00 0.163 HD 889 | ATOM 919 CA LEU X 94 -18.539 10.992 -26.221 1.00 46.62 0.177 C 890 | ATOM 920 C LEU X 94 -17.514 11.327 -27.304 1.00 48.07 0.241 C 891 | ATOM 921 O LEU X 94 -17.510 10.712 -28.367 1.00 47.96 -0.271 OA 892 | ATOM 922 CB LEU X 94 -19.796 11.834 -26.441 1.00 43.39 0.038 C 893 | ATOM 923 CG LEU X 94 -20.972 11.518 -25.523 1.00 38.43 -0.020 C 894 | ATOM 924 CD1 LEU X 94 -22.078 12.542 -25.729 1.00 39.80 0.009 C 895 | ATOM 925 CD2 LEU X 94 -21.465 10.119 -25.816 1.00 40.69 0.009 C 896 | ATOM 926 N LYS X 95 -16.659 12.307 -27.018 1.00 51.68 -0.346 N 897 | ATOM 927 HN LYS X 95 -16.736 12.766 -26.110 1.00 0.00 0.163 HD 898 | ATOM 928 CA LYS X 95 -15.615 12.760 -27.937 1.00 55.63 0.176 C 899 | ATOM 929 C LYS X 95 -14.413 11.834 -28.111 1.00 62.12 0.241 C 900 | ATOM 930 O LYS X 95 -13.336 12.291 -28.514 1.00 63.62 -0.271 OA 901 | ATOM 931 CB LYS X 95 -15.088 14.142 -27.512 1.00 53.66 0.035 C 902 | ATOM 932 CG LYS X 95 -16.036 15.286 -27.767 1.00 52.05 0.004 C 903 | ATOM 933 CD LYS X 95 -16.830 15.007 -29.026 1.00 57.11 0.027 C 904 | ATOM 934 CE LYS X 95 -15.929 14.525 -30.162 1.00 58.22 0.229 C 905 | ATOM 935 NZ LYS X 95 -16.688 13.958 -31.320 1.00 55.49 -0.079 N 906 | ATOM 936 HZ1 LYS X 95 -16.087 13.636 -32.078 1.00 0.00 0.274 HD 907 | ATOM 937 HZ2 LYS X 95 -17.378 14.627 -31.663 1.00 0.00 0.274 HD 908 | ATOM 938 HZ3 LYS X 95 -17.314 13.213 -31.013 1.00 0.00 0.274 HD 909 | ATOM 939 N ASP X 96 -14.576 10.545 -27.820 1.00 67.48 -0.346 N 910 | ATOM 940 HN ASP X 96 -15.483 10.209 -27.496 1.00 0.00 0.163 HD 911 | ATOM 941 CA ASP X 96 -13.462 9.609 -27.962 1.00 70.67 0.186 C 912 | ATOM 942 C ASP X 96 -13.845 8.284 -28.616 1.00 73.21 0.241 C 913 | ATOM 943 O ASP X 96 -14.371 8.267 -29.727 1.00 74.02 -0.271 OA 914 | ATOM 944 CB ASP X 96 -12.832 9.341 -26.597 1.00 69.42 0.147 C 915 | ATOM 945 CG ASP X 96 -12.240 10.592 -25.976 1.00 70.24 0.175 C 916 | ATOM 946 OD1 ASP X 96 -11.805 10.517 -24.810 1.00 72.48 -0.648 OA 917 | ATOM 947 OD2 ASP X 96 -12.207 11.647 -26.646 1.00 68.93 -0.648 OA 918 | ATOM 948 N GLY X 97 -13.561 7.180 -27.923 1.00 74.76 -0.351 N 919 | ATOM 949 HN GLY X 97 -13.118 7.264 -27.008 1.00 0.00 0.163 HD 920 | ATOM 950 CA GLY X 97 -13.870 5.861 -28.447 1.00 75.18 0.225 C 921 | ATOM 951 C GLY X 97 -14.477 4.924 -27.419 1.00 75.52 0.236 C 922 | ATOM 952 O GLY X 97 -15.035 3.881 -27.765 1.00 75.68 -0.272 OA 923 | ATOM 953 N GLU X 98 -14.359 5.301 -26.148 1.00 75.60 -0.346 N 924 | ATOM 954 HN GLU X 98 -13.871 6.173 -25.944 1.00 0.00 0.163 HD 925 | ATOM 955 CA GLU X 98 -14.895 4.526 -25.028 1.00 73.07 0.177 C 926 | ATOM 956 C GLU X 98 -16.411 4.628 -25.021 1.00 72.44 0.240 C 927 | ATOM 957 O GLU X 98 -17.117 3.628 -25.154 1.00 72.63 -0.271 OA 928 | ATOM 958 CB GLU X 98 -14.344 5.079 -23.716 1.00 70.40 0.045 C 929 | ATOM 959 CG GLU X 98 -14.690 6.545 -23.472 1.00 69.65 0.116 C 930 | ATOM 960 CD GLU X 98 -14.303 7.464 -24.628 1.00 68.67 0.172 C 931 | ATOM 961 OE1 GLU X 98 -14.990 7.450 -25.673 1.00 66.50 -0.648 OA 932 | ATOM 962 OE2 GLU X 98 -13.307 8.199 -24.495 1.00 67.70 -0.648 OA 933 | ATOM 963 N GLY X 99 -16.902 5.852 -24.851 1.00 70.65 -0.351 N 934 | ATOM 964 HN GLY X 99 -16.266 6.638 -24.717 1.00 0.00 0.163 HD 935 | ATOM 965 CA GLY X 99 -18.329 6.077 -24.854 1.00 69.09 0.225 C 936 | ATOM 966 C GLY X 99 -18.745 6.406 -26.270 1.00 67.91 0.236 C 937 | ATOM 967 O GLY X 99 -19.926 6.370 -26.606 1.00 68.77 -0.272 OA 938 | ATOM 968 N ARG X 100 -17.759 6.730 -27.106 1.00 66.68 -0.346 N 939 | ATOM 969 HN ARG X 100 -16.798 6.737 -26.765 1.00 0.00 0.163 HD 940 | ATOM 970 CA ARG X 100 -18.024 7.074 -28.497 1.00 66.34 0.176 C 941 | ATOM 971 C ARG X 100 -18.461 5.862 -29.303 1.00 64.13 0.241 C 942 | ATOM 972 O ARG X 100 -19.295 5.966 -30.199 1.00 65.07 -0.271 OA 943 | ATOM 973 CB ARG X 100 -16.785 7.697 -29.128 1.00 68.88 0.036 C 944 | ATOM 974 CG ARG X 100 -16.514 7.246 -30.550 1.00 74.92 0.023 C 945 | ATOM 975 CD ARG X 100 -16.055 5.795 -30.559 1.00 81.35 0.138 C 946 | ATOM 976 NE ARG X 100 -15.227 5.467 -31.714 1.00 86.81 -0.227 N 947 | ATOM 977 HE ARG X 100 -15.151 6.159 -32.460 1.00 0.00 0.177 HD 948 | ATOM 978 CZ ARG X 100 -14.565 4.322 -31.856 1.00 89.14 0.665 C 949 | ATOM 979 NH1 ARG X 100 -13.827 4.109 -32.940 1.00 90.92 -0.235 N 950 | ATOM 980 1HH1 ARG X 100 -13.771 4.826 -33.663 1.00 0.00 0.174 HD 951 | ATOM 981 2HH1 ARG X 100 -13.319 3.231 -33.049 1.00 0.00 0.174 HD 952 | ATOM 982 NH2 ARG X 100 -14.638 3.388 -30.915 1.00 89.29 -0.235 N 953 | ATOM 983 1HH2 ARG X 100 -15.205 3.552 -30.083 1.00 0.00 0.174 HD 954 | ATOM 984 2HH2 ARG X 100 -14.130 2.510 -31.024 1.00 0.00 0.174 HD 955 | ATOM 985 N ALA X 101 -17.893 4.706 -28.988 1.00 60.92 -0.346 N 956 | ATOM 986 HN ALA X 101 -17.201 4.666 -28.240 1.00 0.00 0.163 HD 957 | ATOM 987 CA ALA X 101 -18.253 3.499 -29.704 1.00 55.64 0.172 C 958 | ATOM 988 C ALA X 101 -19.698 3.175 -29.367 1.00 54.08 0.240 C 959 | ATOM 989 O ALA X 101 -20.369 2.472 -30.113 1.00 54.67 -0.271 OA 960 | ATOM 990 CB ALA X 101 -17.353 2.357 -29.283 1.00 55.47 0.042 C 961 | ATOM 991 N LEU X 102 -20.166 3.712 -28.242 1.00 52.45 -0.346 N 962 | ATOM 992 HN LEU X 102 -19.540 4.299 -27.691 1.00 0.00 0.163 HD 963 | ATOM 993 CA LEU X 102 -21.531 3.505 -27.753 1.00 52.12 0.177 C 964 | ATOM 994 C LEU X 102 -22.650 3.539 -28.782 1.00 51.60 0.241 C 965 | ATOM 995 O LEU X 102 -22.783 4.505 -29.531 1.00 52.24 -0.271 OA 966 | ATOM 996 CB LEU X 102 -21.866 4.520 -26.655 1.00 52.11 0.038 C 967 | ATOM 997 CG LEU X 102 -21.256 4.329 -25.265 1.00 49.61 -0.020 C 968 | ATOM 998 CD1 LEU X 102 -21.750 5.420 -24.339 1.00 49.79 0.009 C 969 | ATOM 999 CD2 LEU X 102 -21.646 2.980 -24.719 1.00 49.18 0.009 C 970 | ATOM 1000 N LYS X 103 -23.464 2.483 -28.784 1.00 50.60 -0.346 N 971 | ATOM 1001 HN LYS X 103 -23.294 1.730 -28.117 1.00 0.00 0.163 HD 972 | ATOM 1002 CA LYS X 103 -24.589 2.365 -29.705 1.00 48.53 0.176 C 973 | ATOM 1003 C LYS X 103 -25.887 2.913 -29.109 1.00 46.61 0.241 C 974 | ATOM 1004 O LYS X 103 -26.130 2.836 -27.899 1.00 43.45 -0.271 OA 975 | ATOM 1005 CB LYS X 103 -24.786 0.907 -30.130 1.00 49.38 0.035 C 976 | ATOM 1006 CG LYS X 103 -23.801 0.446 -31.191 1.00 55.48 0.004 C 977 | ATOM 1007 CD LYS X 103 -24.439 -0.547 -32.174 1.00 61.76 0.027 C 978 | ATOM 1008 CE LYS X 103 -24.657 -1.948 -31.574 1.00 66.56 0.229 C 979 | ATOM 1009 NZ LYS X 103 -23.413 -2.793 -31.531 1.00 66.72 -0.079 N 980 | ATOM 1010 HZ1 LYS X 103 -23.557 -3.721 -31.133 1.00 0.00 0.274 HD 981 | ATOM 1011 HZ2 LYS X 103 -22.665 -2.305 -31.039 1.00 0.00 0.274 HD 982 | ATOM 1012 HZ3 LYS X 103 -22.993 -2.861 -32.458 1.00 0.00 0.274 HD 983 | ATOM 1013 N LEU X 104 -26.710 3.468 -29.993 1.00 44.11 -0.346 N 984 | ATOM 1014 HN LEU X 104 -26.423 3.480 -30.972 1.00 0.00 0.163 HD 985 | ATOM 1015 CA LEU X 104 -28.006 4.064 -29.649 1.00 43.27 0.177 C 986 | ATOM 1016 C LEU X 104 -28.685 3.600 -28.366 1.00 41.67 0.243 C 987 | ATOM 1017 O LEU X 104 -28.778 4.341 -27.393 1.00 41.71 -0.271 OA 988 | ATOM 1018 CB LEU X 104 -28.984 3.872 -30.806 1.00 40.18 0.038 C 989 | ATOM 1019 CG LEU X 104 -29.720 5.123 -31.279 1.00 41.02 -0.020 C 990 | ATOM 1020 CD1 LEU X 104 -31.034 4.676 -31.904 1.00 39.58 0.009 C 991 | ATOM 1021 CD2 LEU X 104 -29.981 6.073 -30.128 1.00 39.57 0.009 C 992 | ATOM 1022 N PRO X 105 -29.177 2.361 -28.354 1.00 41.72 -0.337 N 993 | ATOM 1023 CA PRO X 105 -29.851 1.852 -27.156 1.00 42.33 0.179 C 994 | ATOM 1024 C PRO X 105 -29.146 2.221 -25.856 1.00 40.15 0.241 C 995 | ATOM 1025 O PRO X 105 -29.785 2.399 -24.818 1.00 40.24 -0.271 OA 996 | ATOM 1026 CB PRO X 105 -29.889 0.339 -27.402 1.00 41.38 0.037 C 997 | ATOM 1027 CG PRO X 105 -28.692 0.110 -28.270 1.00 39.93 0.022 C 998 | ATOM 1028 CD PRO X 105 -28.803 1.251 -29.245 1.00 40.33 0.127 C 999 | ATOM 1029 N ASN X 106 -27.827 2.351 -25.936 1.00 39.72 -0.346 N 1000 | ATOM 1030 HN ASN X 106 -27.372 2.205 -26.837 1.00 0.00 0.163 HD 1001 | ATOM 1031 CA ASN X 106 -27.004 2.696 -24.776 1.00 34.90 0.185 C 1002 | ATOM 1032 C ASN X 106 -27.055 4.179 -24.502 1.00 30.78 0.241 C 1003 | ATOM 1033 O ASN X 106 -27.143 4.591 -23.355 1.00 26.54 -0.271 OA 1004 | ATOM 1034 CB ASN X 106 -25.562 2.271 -25.029 1.00 39.71 0.137 C 1005 | ATOM 1035 CG ASN X 106 -25.051 1.328 -23.977 1.00 44.81 0.217 C 1006 | ATOM 1036 ND2 ASN X 106 -23.891 1.637 -23.421 1.00 53.27 -0.370 N 1007 | ATOM 1037 1HD2 ASN X 106 -23.544 0.997 -22.707 1.00 0.00 0.159 HD 1008 | ATOM 1038 2HD2 ASN X 106 -23.362 2.469 -23.684 1.00 0.00 0.159 HD 1009 | ATOM 1039 OD1 ASN X 106 -25.688 0.326 -23.660 1.00 50.75 -0.274 OA 1010 | ATOM 1040 N LEU X 107 -26.993 4.967 -25.577 1.00 28.33 -0.346 N 1011 | ATOM 1041 HN LEU X 107 -26.916 4.532 -26.496 1.00 0.00 0.163 HD 1012 | ATOM 1042 CA LEU X 107 -27.030 6.422 -25.497 1.00 23.84 0.177 C 1013 | ATOM 1043 C LEU X 107 -28.398 6.852 -25.000 1.00 25.25 0.241 C 1014 | ATOM 1044 O LEU X 107 -28.523 7.777 -24.194 1.00 27.83 -0.271 OA 1015 | ATOM 1045 CB LEU X 107 -26.765 7.018 -26.874 1.00 22.37 0.038 C 1016 | ATOM 1046 CG LEU X 107 -25.355 6.734 -27.433 1.00 24.05 -0.020 C 1017 | ATOM 1047 CD1 LEU X 107 -25.292 7.068 -28.919 1.00 16.02 0.009 C 1018 | ATOM 1048 CD2 LEU X 107 -24.330 7.541 -26.637 1.00 20.97 0.009 C 1019 | ATOM 1049 N VAL X 108 -29.433 6.173 -25.476 1.00 24.02 -0.346 N 1020 | ATOM 1050 HN VAL X 108 -29.275 5.413 -26.138 1.00 0.00 0.163 HD 1021 | ATOM 1051 CA VAL X 108 -30.785 6.495 -25.069 1.00 26.46 0.180 C 1022 | ATOM 1052 C VAL X 108 -30.890 6.244 -23.571 1.00 27.10 0.241 C 1023 | ATOM 1053 O VAL X 108 -31.568 6.975 -22.857 1.00 25.18 -0.271 OA 1024 | ATOM 1054 CB VAL X 108 -31.821 5.627 -25.814 1.00 25.99 0.009 C 1025 | ATOM 1055 CG1 VAL X 108 -33.228 5.954 -25.333 1.00 24.48 0.012 C 1026 | ATOM 1056 CG2 VAL X 108 -31.726 5.879 -27.300 1.00 27.36 0.012 C 1027 | ATOM 1057 N ASP X 109 -30.195 5.216 -23.094 1.00 30.01 -0.345 N 1028 | ATOM 1058 HN ASP X 109 -29.633 4.652 -23.732 1.00 0.00 0.163 HD 1029 | ATOM 1059 CA ASP X 109 -30.221 4.880 -21.676 1.00 33.04 0.186 C 1030 | ATOM 1060 C ASP X 109 -29.747 6.051 -20.821 1.00 33.26 0.241 C 1031 | ATOM 1061 O ASP X 109 -30.457 6.514 -19.922 1.00 34.41 -0.271 OA 1032 | ATOM 1062 CB ASP X 109 -29.333 3.678 -21.394 1.00 40.53 0.147 C 1033 | ATOM 1063 CG ASP X 109 -29.220 3.374 -19.909 1.00 49.25 0.175 C 1034 | ATOM 1064 OD1 ASP X 109 -28.264 2.670 -19.511 1.00 51.17 -0.648 OA 1035 | ATOM 1065 OD2 ASP X 109 -30.097 3.840 -19.145 1.00 53.76 -0.648 OA 1036 | ATOM 1066 N MET X 110 -28.537 6.524 -21.101 1.00 32.65 -0.346 N 1037 | ATOM 1067 HN MET X 110 -27.996 6.095 -21.852 1.00 0.00 0.163 HD 1038 | ATOM 1068 CA MET X 110 -27.966 7.639 -20.362 1.00 31.04 0.177 C 1039 | ATOM 1069 C MET X 110 -28.903 8.833 -20.405 1.00 30.07 0.241 C 1040 | ATOM 1070 O MET X 110 -29.040 9.553 -19.423 1.00 32.30 -0.271 OA 1041 | ATOM 1071 CB MET X 110 -26.622 8.022 -20.957 1.00 34.24 0.045 C 1042 | ATOM 1072 CG MET X 110 -25.613 6.890 -20.912 1.00 39.33 0.076 C 1043 | ATOM 1073 SD MET X 110 -24.059 7.334 -21.665 1.00 49.33 -0.173 SA 1044 | ATOM 1074 CE MET X 110 -24.345 6.714 -23.324 1.00 48.99 0.089 C 1045 | ATOM 1075 N ALA X 111 -29.556 9.042 -21.540 1.00 28.17 -0.346 N 1046 | ATOM 1076 HN ALA X 111 -29.407 8.411 -22.327 1.00 0.00 0.163 HD 1047 | ATOM 1077 CA ALA X 111 -30.487 10.162 -21.684 1.00 24.95 0.172 C 1048 | ATOM 1078 C ALA X 111 -31.626 10.014 -20.675 1.00 24.37 0.240 C 1049 | ATOM 1079 O ALA X 111 -32.015 10.980 -20.020 1.00 21.66 -0.271 OA 1050 | ATOM 1080 CB ALA X 111 -31.047 10.187 -23.103 1.00 22.97 0.042 C 1051 | ATOM 1081 N ALA X 112 -32.148 8.798 -20.560 1.00 25.26 -0.346 N 1052 | ATOM 1082 HN ALA X 112 -31.774 8.043 -21.135 1.00 0.00 0.163 HD 1053 | ATOM 1083 CA ALA X 112 -33.241 8.508 -19.635 1.00 24.86 0.172 C 1054 | ATOM 1084 C ALA X 112 -32.797 8.821 -18.213 1.00 26.39 0.240 C 1055 | ATOM 1085 O ALA X 112 -33.602 9.257 -17.367 1.00 19.56 -0.271 OA 1056 | ATOM 1086 CB ALA X 112 -33.628 7.055 -19.737 1.00 27.76 0.042 C 1057 | ATOM 1087 N GLN X 113 -31.512 8.574 -17.944 1.00 22.49 -0.346 N 1058 | ATOM 1088 HN GLN X 113 -30.907 8.194 -18.672 1.00 0.00 0.163 HD 1059 | ATOM 1089 CA GLN X 113 -30.967 8.843 -16.619 1.00 20.69 0.177 C 1060 | ATOM 1090 C GLN X 113 -31.007 10.343 -16.357 1.00 23.18 0.241 C 1061 | ATOM 1091 O GLN X 113 -31.455 10.772 -15.301 1.00 24.49 -0.271 OA 1062 | ATOM 1092 CB GLN X 113 -29.528 8.343 -16.519 1.00 21.12 0.044 C 1063 | ATOM 1093 CG GLN X 113 -29.406 6.870 -16.185 1.00 18.78 0.105 C 1064 | ATOM 1094 CD GLN X 113 -27.976 6.400 -16.099 1.00 20.17 0.215 C 1065 | ATOM 1095 NE2 GLN X 113 -27.433 6.372 -14.887 1.00 14.57 -0.370 N 1066 | ATOM 1096 1HE2 GLN X 113 -27.946 6.632 -14.045 1.00 0.00 0.159 HD 1067 | ATOM 1097 2HE2 GLN X 113 -26.466 6.054 -14.829 1.00 0.00 0.159 HD 1068 | ATOM 1098 OE1 GLN X 113 -27.355 6.085 -17.119 1.00 19.23 -0.274 OA 1069 | ATOM 1099 N VAL X 114 -30.559 11.141 -17.327 1.00 19.40 -0.346 N 1070 | ATOM 1100 HN VAL X 114 -30.209 10.740 -18.197 1.00 0.00 0.163 HD 1071 | ATOM 1101 CA VAL X 114 -30.570 12.588 -17.141 1.00 21.73 0.180 C 1072 | ATOM 1102 C VAL X 114 -32.002 13.137 -16.971 1.00 22.26 0.241 C 1073 | ATOM 1103 O VAL X 114 -32.211 14.155 -16.292 1.00 24.97 -0.271 OA 1074 | ATOM 1104 CB VAL X 114 -29.886 13.326 -18.315 1.00 20.19 0.009 C 1075 | ATOM 1105 CG1 VAL X 114 -30.024 14.838 -18.140 1.00 14.31 0.012 C 1076 | ATOM 1106 CG2 VAL X 114 -28.421 12.936 -18.370 1.00 18.70 0.012 C 1077 | ATOM 1107 N ALA X 115 -32.981 12.465 -17.572 1.00 18.09 -0.346 N 1078 | ATOM 1108 HN ALA X 115 -32.762 11.628 -18.113 1.00 0.00 0.163 HD 1079 | ATOM 1109 CA ALA X 115 -34.358 12.913 -17.464 1.00 18.00 0.172 C 1080 | ATOM 1110 C ALA X 115 -34.871 12.607 -16.067 1.00 17.57 0.240 C 1081 | ATOM 1111 O ALA X 115 -35.630 13.388 -15.491 1.00 17.90 -0.271 OA 1082 | ATOM 1112 CB ALA X 115 -35.225 12.226 -18.506 1.00 20.06 0.042 C 1083 | ATOM 1113 N ALA X 116 -34.462 11.470 -15.520 1.00 17.27 -0.346 N 1084 | ATOM 1114 HN ALA X 116 -33.837 10.860 -16.047 1.00 0.00 0.163 HD 1085 | ATOM 1115 CA ALA X 116 -34.887 11.070 -14.177 1.00 19.08 0.172 C 1086 | ATOM 1116 C ALA X 116 -34.393 12.121 -13.189 1.00 20.40 0.240 C 1087 | ATOM 1117 O ALA X 116 -35.159 12.597 -12.344 1.00 23.69 -0.271 OA 1088 | ATOM 1118 CB ALA X 116 -34.314 9.708 -13.825 1.00 12.70 0.042 C 1089 | ATOM 1119 N GLY X 117 -33.116 12.472 -13.308 1.00 18.47 -0.351 N 1090 | ATOM 1120 HN GLY X 117 -32.541 12.028 -14.024 1.00 0.00 0.163 HD 1091 | ATOM 1121 CA GLY X 117 -32.523 13.472 -12.443 1.00 21.32 0.225 C 1092 | ATOM 1122 C GLY X 117 -33.240 14.793 -12.578 1.00 22.36 0.236 C 1093 | ATOM 1123 O GLY X 117 -33.529 15.464 -11.591 1.00 25.58 -0.272 OA 1094 | ATOM 1124 N MET X 118 -33.540 15.166 -13.809 1.00 23.28 -0.346 N 1095 | ATOM 1125 HN MET X 118 -33.267 14.576 -14.595 1.00 0.00 0.163 HD 1096 | ATOM 1126 CA MET X 118 -34.253 16.405 -14.057 1.00 25.95 0.177 C 1097 | ATOM 1127 C MET X 118 -35.664 16.335 -13.467 1.00 23.22 0.241 C 1098 | ATOM 1128 O MET X 118 -36.135 17.281 -12.850 1.00 21.52 -0.271 OA 1099 | ATOM 1129 CB MET X 118 -34.327 16.694 -15.567 1.00 24.64 0.045 C 1100 | ATOM 1130 CG MET X 118 -33.064 17.308 -16.123 1.00 25.31 0.076 C 1101 | ATOM 1131 SD MET X 118 -32.465 18.645 -15.075 1.00 27.40 -0.173 SA 1102 | ATOM 1132 CE MET X 118 -33.731 19.916 -15.343 1.00 25.81 0.089 C 1103 | ATOM 1133 N ALA X 119 -36.330 15.203 -13.659 1.00 21.73 -0.346 N 1104 | ATOM 1134 HN ALA X 119 -35.888 14.444 -14.177 1.00 0.00 0.163 HD 1105 | ATOM 1135 CA ALA X 119 -37.675 15.025 -13.146 1.00 23.83 0.172 C 1106 | ATOM 1136 C ALA X 119 -37.682 15.317 -11.643 1.00 23.80 0.240 C 1107 | ATOM 1137 O ALA X 119 -38.611 15.952 -11.124 1.00 16.88 -0.271 OA 1108 | ATOM 1138 CB ALA X 119 -38.163 13.609 -13.415 1.00 21.41 0.042 C 1109 | ATOM 1139 N TYR X 120 -36.635 14.867 -10.948 1.00 23.86 -0.346 N 1110 | ATOM 1140 HN TYR X 120 -35.895 14.361 -11.434 1.00 0.00 0.163 HD 1111 | ATOM 1141 CA TYR X 120 -36.525 15.083 -9.504 1.00 24.20 0.180 C 1112 | ATOM 1142 C TYR X 120 -36.497 16.591 -9.225 1.00 24.30 0.241 C 1113 | ATOM 1143 O TYR X 120 -37.328 17.126 -8.483 1.00 21.98 -0.271 OA 1114 | ATOM 1144 CB TYR X 120 -35.252 14.421 -8.971 1.00 24.18 0.073 C 1115 | ATOM 1145 CG TYR X 120 -34.941 14.797 -7.540 1.00 30.07 -0.056 A 1116 | ATOM 1146 CD1 TYR X 120 -35.865 14.569 -6.527 1.00 31.71 0.010 A 1117 | ATOM 1147 CD2 TYR X 120 -33.756 15.438 -7.212 1.00 32.81 0.010 A 1118 | ATOM 1148 CE1 TYR X 120 -35.630 14.976 -5.232 1.00 32.00 0.037 A 1119 | ATOM 1149 CE2 TYR X 120 -33.505 15.854 -5.914 1.00 35.23 0.037 A 1120 | ATOM 1150 CZ TYR X 120 -34.445 15.626 -4.931 1.00 37.94 0.065 A 1121 | ATOM 1151 OH TYR X 120 -34.208 16.079 -3.656 1.00 43.41 -0.361 OA 1122 | ATOM 1152 HH TYR X 120 -33.395 16.525 -3.449 1.00 0.00 0.217 HD 1123 | ATOM 1153 N ILE X 121 -35.533 17.269 -9.837 1.00 26.70 -0.346 N 1124 | ATOM 1154 HN ILE X 121 -34.885 16.762 -10.439 1.00 0.00 0.163 HD 1125 | ATOM 1155 CA ILE X 121 -35.364 18.706 -9.683 1.00 26.10 0.180 C 1126 | ATOM 1156 C ILE X 121 -36.704 19.355 -9.978 1.00 28.59 0.241 C 1127 | ATOM 1157 O ILE X 121 -37.069 20.365 -9.368 1.00 30.60 -0.271 OA 1128 | ATOM 1158 CB ILE X 121 -34.301 19.223 -10.686 1.00 26.09 0.013 C 1129 | ATOM 1159 CG1 ILE X 121 -32.931 18.687 -10.312 1.00 23.63 0.002 C 1130 | ATOM 1160 CG2 ILE X 121 -34.295 20.748 -10.732 1.00 27.70 0.012 C 1131 | ATOM 1161 CD1 ILE X 121 -31.874 18.976 -11.354 1.00 27.46 0.005 C 1132 | ATOM 1162 N GLU X 122 -37.422 18.779 -10.939 1.00 33.63 -0.346 N 1133 | ATOM 1163 HN GLU X 122 -37.044 17.956 -11.408 1.00 0.00 0.163 HD 1134 | ATOM 1164 CA GLU X 122 -38.726 19.280 -11.346 1.00 36.25 0.177 C 1135 | ATOM 1165 C GLU X 122 -39.645 19.282 -10.117 1.00 37.16 0.241 C 1136 | ATOM 1166 O GLU X 122 -40.147 20.325 -9.699 1.00 40.56 -0.271 OA 1137 | ATOM 1167 CB GLU X 122 -39.290 18.376 -12.446 1.00 38.26 0.045 C 1138 | ATOM 1168 CG GLU X 122 -40.508 18.929 -13.189 1.00 43.23 0.116 C 1139 | ATOM 1169 CD GLU X 122 -40.903 18.067 -14.387 1.00 48.25 0.172 C 1140 | ATOM 1170 OE1 GLU X 122 -41.263 16.884 -14.193 1.00 51.37 -0.648 OA 1141 | ATOM 1171 OE2 GLU X 122 -40.847 18.581 -15.529 1.00 50.21 -0.648 OA 1142 | ATOM 1172 N ARG X 123 -39.844 18.105 -9.537 1.00 33.96 -0.346 N 1143 | ATOM 1173 HN ARG X 123 -39.391 17.277 -9.925 1.00 0.00 0.163 HD 1144 | ATOM 1174 CA ARG X 123 -40.689 17.965 -8.365 1.00 34.05 0.176 C 1145 | ATOM 1175 C ARG X 123 -40.225 18.862 -7.209 1.00 33.87 0.241 C 1146 | ATOM 1176 O ARG X 123 -41.048 19.382 -6.450 1.00 35.74 -0.271 OA 1147 | ATOM 1177 CB ARG X 123 -40.688 16.516 -7.886 1.00 35.26 0.036 C 1148 | ATOM 1178 CG ARG X 123 -41.231 15.517 -8.886 1.00 40.78 0.023 C 1149 | ATOM 1179 CD ARG X 123 -41.205 14.119 -8.298 1.00 45.02 0.138 C 1150 | ATOM 1180 NE ARG X 123 -39.863 13.735 -7.862 1.00 52.17 -0.227 N 1151 | ATOM 1181 HE ARG X 123 -39.067 14.189 -8.311 1.00 0.00 0.177 HD 1152 | ATOM 1182 CZ ARG X 123 -39.613 12.832 -6.918 1.00 55.75 0.665 C 1153 | ATOM 1183 NH1 ARG X 123 -38.362 12.532 -6.592 1.00 57.84 -0.235 N 1154 | ATOM 1184 1HH1 ARG X 123 -37.589 12.989 -7.075 1.00 0.00 0.174 HD 1155 | ATOM 1185 2HH1 ARG X 123 -38.170 11.840 -5.868 1.00 0.00 0.174 HD 1156 | ATOM 1186 NH2 ARG X 123 -40.621 12.236 -6.288 1.00 57.89 -0.235 N 1157 | ATOM 1187 1HH2 ARG X 123 -41.582 12.467 -6.539 1.00 0.00 0.174 HD 1158 | ATOM 1188 2HH2 ARG X 123 -40.429 11.544 -5.564 1.00 0.00 0.174 HD 1159 | ATOM 1189 N MET X 124 -38.911 19.034 -7.075 1.00 30.70 -0.346 N 1160 | ATOM 1190 HN MET X 124 -38.282 18.577 -7.735 1.00 0.00 0.163 HD 1161 | ATOM 1191 CA MET X 124 -38.347 19.856 -6.013 1.00 27.79 0.177 C 1162 | ATOM 1192 C MET X 124 -38.538 21.333 -6.244 1.00 30.58 0.241 C 1163 | ATOM 1193 O MET X 124 -38.175 22.141 -5.394 1.00 35.28 -0.271 OA 1164 | ATOM 1194 CB MET X 124 -36.853 19.575 -5.872 1.00 26.09 0.045 C 1165 | ATOM 1195 CG MET X 124 -36.526 18.171 -5.393 1.00 30.84 0.076 C 1166 | ATOM 1196 SD MET X 124 -37.215 17.840 -3.755 1.00 36.07 -0.173 SA 1167 | ATOM 1197 CE MET X 124 -38.931 17.369 -4.232 1.00 38.22 0.089 C 1168 | ATOM 1198 N ASN X 125 -39.118 21.692 -7.384 1.00 33.40 -0.346 N 1169 | ATOM 1199 HN ASN X 125 -39.413 20.966 -8.037 1.00 0.00 0.163 HD 1170 | ATOM 1200 CA ASN X 125 -39.347 23.088 -7.732 1.00 35.55 0.185 C 1171 | ATOM 1201 C ASN X 125 -38.030 23.844 -7.887 1.00 36.76 0.241 C 1172 | ATOM 1202 O ASN X 125 -37.889 24.971 -7.412 1.00 35.37 -0.271 OA 1173 | ATOM 1203 CB ASN X 125 -40.213 23.798 -6.696 1.00 37.03 0.137 C 1174 | ATOM 1204 CG ASN X 125 -41.655 23.376 -6.774 1.00 40.90 0.217 C 1175 | ATOM 1205 ND2 ASN X 125 -42.369 23.479 -5.656 1.00 42.92 -0.370 N 1176 | ATOM 1206 1HD2 ASN X 125 -41.976 23.817 -4.778 1.00 0.00 0.159 HD 1177 | ATOM 1207 2HD2 ASN X 125 -43.347 23.193 -5.709 1.00 0.00 0.159 HD 1178 | ATOM 1208 OD1 ASN X 125 -42.131 22.967 -7.837 1.00 42.08 -0.274 OA 1179 | ATOM 1209 N TYR X 126 -37.067 23.197 -8.537 1.00 37.36 -0.346 N 1180 | ATOM 1210 HN TYR X 126 -37.250 22.254 -8.880 1.00 0.00 0.163 HD 1181 | ATOM 1211 CA TYR X 126 -35.760 23.791 -8.775 1.00 37.83 0.180 C 1182 | ATOM 1212 C TYR X 126 -35.542 23.964 -10.270 1.00 37.29 0.241 C 1183 | ATOM 1213 O TYR X 126 -36.271 23.416 -11.092 1.00 38.75 -0.271 OA 1184 | ATOM 1214 CB TYR X 126 -34.640 22.929 -8.186 1.00 35.95 0.073 C 1185 | ATOM 1215 CG TYR X 126 -34.452 23.142 -6.701 1.00 38.22 -0.056 A 1186 | ATOM 1216 CD1 TYR X 126 -35.446 22.779 -5.802 1.00 39.60 0.010 A 1187 | ATOM 1217 CD2 TYR X 126 -33.308 23.742 -6.200 1.00 36.82 0.010 A 1188 | ATOM 1218 CE1 TYR X 126 -35.306 23.012 -4.451 1.00 39.20 0.037 A 1189 | ATOM 1219 CE2 TYR X 126 -33.159 23.977 -4.843 1.00 36.74 0.037 A 1190 | ATOM 1220 CZ TYR X 126 -34.165 23.611 -3.977 1.00 36.05 0.065 A 1191 | ATOM 1221 OH TYR X 126 -34.055 23.847 -2.630 1.00 38.00 -0.361 OA 1192 | ATOM 1222 HH TYR X 126 -34.749 23.594 -2.033 1.00 0.00 0.217 HD 1193 | ATOM 1223 N ILE X 127 -34.532 24.740 -10.617 1.00 38.28 -0.346 N 1194 | ATOM 1224 HN ILE X 127 -33.964 25.175 -9.890 1.00 0.00 0.163 HD 1195 | ATOM 1225 CA ILE X 127 -34.214 24.987 -12.006 1.00 37.83 0.180 C 1196 | ATOM 1226 C ILE X 127 -32.696 24.856 -12.055 1.00 36.03 0.241 C 1197 | ATOM 1227 O ILE X 127 -32.013 25.287 -11.126 1.00 37.90 -0.271 OA 1198 | ATOM 1228 CB ILE X 127 -34.671 26.407 -12.409 1.00 41.39 0.013 C 1199 | ATOM 1229 CG1 ILE X 127 -34.758 26.534 -13.924 1.00 43.14 0.002 C 1200 | ATOM 1230 CG2 ILE X 127 -33.702 27.454 -11.875 1.00 42.69 0.012 C 1201 | ATOM 1231 CD1 ILE X 127 -35.194 27.914 -14.361 1.00 47.17 0.005 C 1202 | ATOM 1232 N HIS X 128 -32.169 24.238 -13.106 1.00 35.79 -0.346 N 1203 | ATOM 1233 HN HIS X 128 -32.783 23.880 -13.838 1.00 0.00 0.163 HD 1204 | ATOM 1234 CA HIS X 128 -30.729 24.064 -13.229 1.00 33.09 0.182 C 1205 | ATOM 1235 C HIS X 128 -30.130 25.250 -13.963 1.00 30.68 0.241 C 1206 | ATOM 1236 O HIS X 128 -29.159 25.840 -13.502 1.00 28.01 -0.271 OA 1207 | ATOM 1237 CB HIS X 128 -30.427 22.753 -13.968 1.00 34.28 0.093 C 1208 | ATOM 1238 CG HIS X 128 -29.015 22.267 -13.797 1.00 34.20 0.028 A 1209 | ATOM 1239 CD2 HIS X 128 -28.487 21.355 -12.942 1.00 29.64 0.114 A 1210 | ATOM 1240 ND1 HIS X 128 -27.966 22.727 -14.570 1.00 26.09 -0.354 N 1211 | ATOM 1241 HD1 HIS X 128 -28.036 23.428 -15.307 1.00 0.00 0.166 HD 1212 | ATOM 1242 CE1 HIS X 128 -26.856 22.110 -14.198 1.00 31.32 0.180 A 1213 | ATOM 1243 NE2 HIS X 128 -27.144 21.275 -13.214 1.00 30.41 -0.360 N 1214 | ATOM 1244 HE2 HIS X 128 -26.477 20.670 -12.735 1.00 0.00 0.166 HD 1215 | ATOM 1245 N ARG X 129 -30.725 25.594 -15.102 1.00 31.13 -0.346 N 1216 | ATOM 1246 HN ARG X 129 -31.530 25.050 -15.412 1.00 0.00 0.163 HD 1217 | ATOM 1247 CA ARG X 129 -30.280 26.719 -15.936 1.00 32.62 0.176 C 1218 | ATOM 1248 C ARG X 129 -28.982 26.539 -16.715 1.00 31.40 0.241 C 1219 | ATOM 1249 O ARG X 129 -28.541 27.461 -17.397 1.00 35.49 -0.271 OA 1220 | ATOM 1250 CB ARG X 129 -30.187 28.009 -15.113 1.00 31.30 0.036 C 1221 | ATOM 1251 CG ARG X 129 -31.529 28.562 -14.671 1.00 36.45 0.023 C 1222 | ATOM 1252 CD ARG X 129 -31.494 30.087 -14.525 1.00 44.71 0.138 C 1223 | ATOM 1253 NE ARG X 129 -30.408 30.555 -13.660 1.00 47.99 -0.227 N 1224 | ATOM 1254 HE ARG X 129 -29.801 29.854 -13.236 1.00 0.00 0.177 HD 1225 | ATOM 1255 CZ ARG X 129 -30.161 31.835 -13.391 1.00 47.62 0.665 C 1226 | ATOM 1256 NH1 ARG X 129 -29.148 32.159 -12.597 1.00 44.49 -0.235 N 1227 | ATOM 1257 1HH1 ARG X 129 -28.562 31.425 -12.199 1.00 0.00 0.174 HD 1228 | ATOM 1258 2HH1 ARG X 129 -28.959 33.140 -12.391 1.00 0.00 0.174 HD 1229 | ATOM 1259 NH2 ARG X 129 -30.926 32.794 -13.911 1.00 48.71 -0.235 N 1230 | ATOM 1260 1HH2 ARG X 129 -31.704 32.545 -14.521 1.00 0.00 0.174 HD 1231 | ATOM 1261 2HH2 ARG X 129 -30.737 33.775 -13.705 1.00 0.00 0.174 HD 1232 | ATOM 1262 N ASP X 130 -28.366 25.370 -16.630 1.00 32.94 -0.346 N 1233 | ATOM 1263 HN ASP X 130 -28.765 24.631 -16.051 1.00 0.00 0.163 HD 1234 | ATOM 1264 CA ASP X 130 -27.124 25.127 -17.354 1.00 32.17 0.186 C 1235 | ATOM 1265 C ASP X 130 -27.044 23.632 -17.641 1.00 32.51 0.241 C 1236 | ATOM 1266 O ASP X 130 -26.037 22.968 -17.375 1.00 33.18 -0.271 OA 1237 | ATOM 1267 CB ASP X 130 -25.921 25.610 -16.525 1.00 39.66 0.147 C 1238 | ATOM 1268 CG ASP X 130 -24.678 25.871 -17.378 1.00 44.08 0.175 C 1239 | ATOM 1269 OD1 ASP X 130 -24.804 26.482 -18.462 1.00 47.94 -0.648 OA 1240 | ATOM 1270 OD2 ASP X 130 -23.575 25.476 -16.953 1.00 46.16 -0.648 OA 1241 | ATOM 1271 N LEU X 131 -28.129 23.100 -18.188 1.00 28.84 -0.346 N 1242 | ATOM 1272 HN LEU X 131 -28.934 23.695 -18.385 1.00 0.00 0.163 HD 1243 | ATOM 1273 CA LEU X 131 -28.190 21.692 -18.510 1.00 28.27 0.177 C 1244 | ATOM 1274 C LEU X 131 -27.486 21.439 -19.838 1.00 29.78 0.241 C 1245 | ATOM 1275 O LEU X 131 -27.737 22.127 -20.828 1.00 30.13 -0.271 OA 1246 | ATOM 1276 CB LEU X 131 -29.648 21.252 -18.580 1.00 29.46 0.038 C 1247 | ATOM 1277 CG LEU X 131 -29.936 19.767 -18.806 1.00 29.90 -0.020 C 1248 | ATOM 1278 CD1 LEU X 131 -29.289 18.950 -17.717 1.00 29.12 0.009 C 1249 | ATOM 1279 CD2 LEU X 131 -31.436 19.549 -18.814 1.00 31.87 0.009 C 1250 | ATOM 1280 N ARG X 132 -26.600 20.453 -19.868 1.00 28.88 -0.346 N 1251 | ATOM 1281 HN ARG X 132 -26.421 19.910 -19.023 1.00 0.00 0.163 HD 1252 | ATOM 1282 CA ARG X 132 -25.882 20.138 -21.090 1.00 27.26 0.176 C 1253 | ATOM 1283 C ARG X 132 -24.819 19.068 -20.903 1.00 27.26 0.241 C 1254 | ATOM 1284 O ARG X 132 -24.349 18.809 -19.785 1.00 24.89 -0.271 OA 1255 | ATOM 1285 CB ARG X 132 -25.252 21.385 -21.661 1.00 28.85 0.036 C 1256 | ATOM 1286 CG ARG X 132 -24.403 22.107 -20.679 1.00 35.41 0.023 C 1257 | ATOM 1287 CD ARG X 132 -23.550 23.136 -21.353 1.00 43.60 0.138 C 1258 | ATOM 1288 NE ARG X 132 -22.738 23.821 -20.367 1.00 54.44 -0.227 N 1259 | ATOM 1289 HE ARG X 132 -22.851 23.554 -19.389 1.00 0.00 0.177 HD 1260 | ATOM 1290 CZ ARG X 132 -21.858 24.771 -20.651 1.00 58.17 0.665 C 1261 | ATOM 1291 NH1 ARG X 132 -21.169 25.340 -19.669 1.00 58.93 -0.235 N 1262 | ATOM 1292 1HH1 ARG X 132 -20.492 26.071 -19.888 1.00 0.00 0.174 HD 1263 | ATOM 1293 2HH1 ARG X 132 -21.314 25.054 -18.701 1.00 0.00 0.174 HD 1264 | ATOM 1294 NH2 ARG X 132 -21.669 25.144 -21.912 1.00 57.02 -0.235 N 1265 | ATOM 1295 1HH2 ARG X 132 -20.992 25.875 -22.131 1.00 0.00 0.174 HD 1266 | ATOM 1296 2HH2 ARG X 132 -22.198 24.707 -22.666 1.00 0.00 0.174 HD 1267 | ATOM 1297 N SER X 133 -24.434 18.452 -22.018 1.00 26.07 -0.344 N 1268 | ATOM 1298 HN SER X 133 -24.858 18.735 -22.901 1.00 0.00 0.163 HD 1269 | ATOM 1299 CA SER X 133 -23.437 17.394 -22.036 1.00 26.64 0.200 C 1270 | ATOM 1300 C SER X 133 -22.227 17.601 -21.118 1.00 28.38 0.243 C 1271 | ATOM 1301 O SER X 133 -21.869 16.694 -20.360 1.00 27.45 -0.271 OA 1272 | ATOM 1302 CB SER X 133 -22.960 17.166 -23.464 1.00 24.55 0.199 C 1273 | ATOM 1303 OG SER X 133 -22.214 15.977 -23.519 1.00 32.40 -0.398 OA 1274 | ATOM 1304 HG SER X 133 -21.916 15.835 -24.410 1.00 0.00 0.209 HD 1275 | ATOM 1305 N ALA X 134 -21.599 18.777 -21.190 1.00 27.26 -0.346 N 1276 | ATOM 1306 HN ALA X 134 -21.945 19.482 -21.841 1.00 0.00 0.163 HD 1277 | ATOM 1307 CA ALA X 134 -20.433 19.088 -20.368 1.00 27.61 0.172 C 1278 | ATOM 1308 C ALA X 134 -20.716 19.085 -18.853 1.00 29.19 0.240 C 1279 | ATOM 1309 O ALA X 134 -19.821 18.827 -18.047 1.00 24.46 -0.271 OA 1280 | ATOM 1310 CB ALA X 134 -19.848 20.431 -20.789 1.00 28.66 0.042 C 1281 | ATOM 1311 N ASN X 135 -21.955 19.384 -18.468 1.00 27.82 -0.346 N 1282 | ATOM 1312 HN ASN X 135 -22.664 19.607 -19.167 1.00 0.00 0.163 HD 1283 | ATOM 1313 CA ASN X 135 -22.302 19.394 -17.055 1.00 27.01 0.185 C 1284 | ATOM 1314 C ASN X 135 -22.862 18.041 -16.573 1.00 26.79 0.241 C 1285 | ATOM 1315 O ASN X 135 -23.351 17.934 -15.456 1.00 26.60 -0.271 OA 1286 | ATOM 1316 CB ASN X 135 -23.302 20.502 -16.746 1.00 29.24 0.137 C 1287 | ATOM 1317 CG ASN X 135 -22.661 21.872 -16.705 1.00 30.99 0.217 C 1288 | ATOM 1318 ND2 ASN X 135 -23.322 22.859 -17.301 1.00 28.82 -0.370 N 1289 | ATOM 1319 1HD2 ASN X 135 -22.890 23.783 -17.273 1.00 0.00 0.159 HD 1290 | ATOM 1320 2HD2 ASN X 135 -24.212 22.718 -17.779 1.00 0.00 0.159 HD 1291 | ATOM 1321 OD1 ASN X 135 -21.588 22.042 -16.129 1.00 34.40 -0.274 OA 1292 | ATOM 1322 N ILE X 136 -22.821 17.022 -17.425 1.00 21.84 -0.346 N 1293 | ATOM 1323 HN ILE X 136 -22.438 17.164 -18.360 1.00 0.00 0.163 HD 1294 | ATOM 1324 CA ILE X 136 -23.314 15.707 -17.046 1.00 22.56 0.180 C 1295 | ATOM 1325 C ILE X 136 -22.075 14.851 -16.802 1.00 24.74 0.241 C 1296 | ATOM 1326 O ILE X 136 -21.284 14.623 -17.707 1.00 28.43 -0.271 OA 1297 | ATOM 1327 CB ILE X 136 -24.129 15.010 -18.154 1.00 20.16 0.013 C 1298 | ATOM 1328 CG1 ILE X 136 -25.454 15.751 -18.417 1.00 23.96 0.002 C 1299 | ATOM 1329 CG2 ILE X 136 -24.380 13.571 -17.750 1.00 8.64 0.012 C 1300 | ATOM 1330 CD1 ILE X 136 -26.371 15.936 -17.186 1.00 19.54 0.005 C 1301 | ATOM 1331 N LEU X 137 -21.898 14.370 -15.582 1.00 22.09 -0.346 N 1302 | ATOM 1332 HN LEU X 137 -22.578 14.571 -14.849 1.00 0.00 0.163 HD 1303 | ATOM 1333 CA LEU X 137 -20.729 13.552 -15.291 1.00 22.90 0.177 C 1304 | ATOM 1334 C LEU X 137 -21.055 12.049 -15.366 1.00 26.47 0.241 C 1305 | ATOM 1335 O LEU X 137 -22.132 11.611 -14.965 1.00 24.12 -0.271 OA 1306 | ATOM 1336 CB LEU X 137 -20.139 13.962 -13.927 1.00 18.40 0.038 C 1307 | ATOM 1337 CG LEU X 137 -19.711 15.437 -13.901 1.00 15.51 -0.020 C 1308 | ATOM 1338 CD1 LEU X 137 -19.465 15.903 -12.487 1.00 13.70 0.009 C 1309 | ATOM 1339 CD2 LEU X 137 -18.493 15.629 -14.772 1.00 13.27 0.009 C 1310 | ATOM 1340 N VAL X 138 -20.112 11.279 -15.908 1.00 27.03 -0.346 N 1311 | ATOM 1341 HN VAL X 138 -19.247 11.715 -16.228 1.00 0.00 0.163 HD 1312 | ATOM 1342 CA VAL X 138 -20.268 9.846 -16.061 1.00 27.91 0.180 C 1313 | ATOM 1343 C VAL X 138 -19.415 9.046 -15.086 1.00 30.35 0.241 C 1314 | ATOM 1344 O VAL X 138 -18.211 9.247 -14.987 1.00 29.11 -0.271 OA 1315 | ATOM 1345 CB VAL X 138 -19.877 9.398 -17.471 1.00 30.31 0.009 C 1316 | ATOM 1346 CG1 VAL X 138 -20.181 7.917 -17.642 1.00 29.06 0.012 C 1317 | ATOM 1347 CG2 VAL X 138 -20.604 10.246 -18.515 1.00 29.70 0.012 C 1318 | ATOM 1348 N GLY X 139 -20.044 8.127 -14.367 1.00 35.05 -0.351 N 1319 | ATOM 1349 HN GLY X 139 -21.049 7.995 -14.482 1.00 0.00 0.163 HD 1320 | ATOM 1350 CA GLY X 139 -19.314 7.307 -13.418 1.00 38.34 0.225 C 1321 | ATOM 1351 C GLY X 139 -19.158 5.911 -13.975 1.00 41.25 0.236 C 1322 | ATOM 1352 O GLY X 139 -19.302 5.701 -15.174 1.00 42.42 -0.272 OA 1323 | ATOM 1353 N ASN X 140 -18.872 4.945 -13.114 1.00 46.97 -0.346 N 1324 | ATOM 1354 HN ASN X 140 -18.767 5.164 -12.123 1.00 0.00 0.163 HD 1325 | ATOM 1355 CA ASN X 140 -18.706 3.571 -13.574 1.00 51.00 0.185 C 1326 | ATOM 1356 C ASN X 140 -20.022 2.894 -13.950 1.00 51.43 0.241 C 1327 | ATOM 1357 O ASN X 140 -21.066 3.128 -13.325 1.00 51.14 -0.271 OA 1328 | ATOM 1358 CB ASN X 140 -17.982 2.729 -12.520 1.00 51.17 0.137 C 1329 | ATOM 1359 CG ASN X 140 -16.559 2.390 -12.929 1.00 54.22 0.217 C 1330 | ATOM 1360 ND2 ASN X 140 -15.609 2.678 -12.052 1.00 55.26 -0.370 N 1331 | ATOM 1361 1HD2 ASN X 140 -14.653 2.450 -12.327 1.00 0.00 0.159 HD 1332 | ATOM 1362 2HD2 ASN X 140 -15.807 3.110 -11.149 1.00 0.00 0.159 HD 1333 | ATOM 1363 OD1 ASN X 140 -16.320 1.868 -14.020 1.00 56.26 -0.274 OA 1334 | ATOM 1364 N GLY X 141 -19.957 2.054 -14.980 1.00 49.28 -0.351 N 1335 | ATOM 1365 HN GLY X 141 -19.067 1.909 -15.457 1.00 0.00 0.163 HD 1336 | ATOM 1366 CA GLY X 141 -21.135 1.343 -15.431 1.00 48.25 0.225 C 1337 | ATOM 1367 C GLY X 141 -22.117 2.252 -16.133 1.00 47.63 0.236 C 1338 | ATOM 1368 O GLY X 141 -23.326 2.133 -15.955 1.00 48.98 -0.272 OA 1339 | ATOM 1369 N LEU X 142 -21.595 3.170 -16.935 1.00 46.45 -0.346 N 1340 | ATOM 1370 HN LEU X 142 -20.582 3.225 -17.041 1.00 0.00 0.163 HD 1341 | ATOM 1371 CA LEU X 142 -22.440 4.100 -17.666 1.00 44.89 0.177 C 1342 | ATOM 1372 C LEU X 142 -23.454 4.858 -16.803 1.00 41.55 0.241 C 1343 | ATOM 1373 O LEU X 142 -24.613 5.020 -17.190 1.00 39.93 -0.271 OA 1344 | ATOM 1374 CB LEU X 142 -23.177 3.365 -18.790 1.00 46.33 0.038 C 1345 | ATOM 1375 CG LEU X 142 -22.279 2.771 -19.874 1.00 49.33 -0.020 C 1346 | ATOM 1376 CD1 LEU X 142 -23.146 2.259 -21.009 1.00 46.25 0.009 C 1347 | ATOM 1377 CD2 LEU X 142 -21.307 3.825 -20.383 1.00 51.33 0.009 C 1348 | ATOM 1378 N ILE X 143 -23.030 5.313 -15.634 1.00 37.81 -0.346 N 1349 | ATOM 1379 HN ILE X 143 -22.068 5.145 -15.339 1.00 0.00 0.163 HD 1350 | ATOM 1380 CA ILE X 143 -23.937 6.052 -14.773 1.00 36.78 0.180 C 1351 | ATOM 1381 C ILE X 143 -23.766 7.521 -15.148 1.00 35.17 0.241 C 1352 | ATOM 1382 O ILE X 143 -22.656 7.972 -15.421 1.00 33.80 -0.271 OA 1353 | ATOM 1383 CB ILE X 143 -23.596 5.855 -13.285 1.00 36.03 0.013 C 1354 | ATOM 1384 CG1 ILE X 143 -23.799 4.391 -12.907 1.00 38.61 0.002 C 1355 | ATOM 1385 CG2 ILE X 143 -24.489 6.716 -12.421 1.00 36.64 0.012 C 1356 | ATOM 1386 CD1 ILE X 143 -25.196 3.892 -13.185 1.00 39.63 0.005 C 1357 | ATOM 1387 N CYS X 144 -24.868 8.253 -15.194 1.00 32.91 -0.345 N 1358 | ATOM 1388 HN CYS X 144 -25.765 7.818 -14.977 1.00 0.00 0.163 HD 1359 | ATOM 1389 CA CYS X 144 -24.829 9.660 -15.546 1.00 33.24 0.186 C 1360 | ATOM 1390 C CYS X 144 -25.481 10.488 -14.461 1.00 33.11 0.241 C 1361 | ATOM 1391 O CYS X 144 -26.546 10.132 -13.950 1.00 35.90 -0.271 OA 1362 | ATOM 1392 CB CYS X 144 -25.563 9.905 -16.869 1.00 32.11 0.120 C 1363 | ATOM 1393 SG CYS X 144 -24.724 9.215 -18.270 1.00 33.80 -0.095 SA 1364 | ATOM 1394 N LYS X 145 -24.841 11.595 -14.113 1.00 30.57 -0.346 N 1365 | ATOM 1395 HN LYS X 145 -23.964 11.833 -14.576 1.00 0.00 0.163 HD 1366 | ATOM 1396 CA LYS X 145 -25.363 12.470 -13.090 1.00 29.54 0.176 C 1367 | ATOM 1397 C LYS X 145 -25.254 13.935 -13.481 1.00 30.00 0.241 C 1368 | ATOM 1398 O LYS X 145 -24.354 14.329 -14.228 1.00 30.31 -0.271 OA 1369 | ATOM 1399 CB LYS X 145 -24.620 12.235 -11.783 1.00 29.92 0.035 C 1370 | ATOM 1400 CG LYS X 145 -24.663 10.801 -11.343 1.00 32.63 0.004 C 1371 | ATOM 1401 CD LYS X 145 -24.245 10.634 -9.900 1.00 36.13 0.027 C 1372 | ATOM 1402 CE LYS X 145 -24.257 9.158 -9.530 1.00 34.78 0.229 C 1373 | ATOM 1403 NZ LYS X 145 -24.293 8.922 -8.064 1.00 34.22 -0.079 N 1374 | ATOM 1404 HZ1 LYS X 145 -24.301 7.933 -7.816 1.00 0.00 0.274 HD 1375 | ATOM 1405 HZ2 LYS X 145 -25.081 9.409 -7.637 1.00 0.00 0.274 HD 1376 | ATOM 1406 HZ3 LYS X 145 -23.525 9.406 -7.600 1.00 0.00 0.274 HD 1377 | ATOM 1407 N ILE X 146 -26.194 14.734 -12.978 1.00 29.29 -0.346 N 1378 | ATOM 1408 HN ILE X 146 -26.918 14.334 -12.381 1.00 0.00 0.163 HD 1379 | ATOM 1409 CA ILE X 146 -26.217 16.153 -13.255 1.00 28.22 0.180 C 1380 | ATOM 1410 C ILE X 146 -25.347 16.789 -12.193 1.00 29.95 0.241 C 1381 | ATOM 1411 O ILE X 146 -25.436 16.434 -11.026 1.00 28.19 -0.271 OA 1382 | ATOM 1412 CB ILE X 146 -27.625 16.716 -13.137 1.00 30.05 0.013 C 1383 | ATOM 1413 CG1 ILE X 146 -28.518 16.083 -14.211 1.00 30.93 0.002 C 1384 | ATOM 1414 CG2 ILE X 146 -27.586 18.243 -13.230 1.00 28.99 0.012 C 1385 | ATOM 1415 CD1 ILE X 146 -29.989 16.443 -14.070 1.00 33.01 0.005 C 1386 | ATOM 1416 N ALA X 147 -24.498 17.722 -12.607 1.00 32.38 -0.346 N 1387 | ATOM 1417 HN ALA X 147 -24.471 17.963 -13.598 1.00 0.00 0.163 HD 1388 | ATOM 1418 CA ALA X 147 -23.603 18.412 -11.686 1.00 32.10 0.172 C 1389 | ATOM 1419 C ALA X 147 -23.541 19.897 -11.994 1.00 31.09 0.240 C 1390 | ATOM 1420 O ALA X 147 -24.101 20.362 -12.995 1.00 30.94 -0.271 OA 1391 | ATOM 1421 CB ALA X 147 -22.199 17.810 -11.761 1.00 31.38 0.042 C 1392 | ATOM 1422 N ASP X 148 -22.859 20.625 -11.116 1.00 30.26 -0.346 N 1393 | ATOM 1423 HN ASP X 148 -22.438 20.151 -10.317 1.00 0.00 0.163 HD 1394 | ATOM 1425 C ASP X 148 -23.990 22.822 -11.005 1.00 32.25 0.241 C 1395 | ATOM 1426 O ASP X 148 -24.674 23.200 -11.958 1.00 36.31 -0.271 OA 1396 | ATOM 1431 N PHE X 149 -24.333 23.059 -9.744 1.00 28.95 -0.346 N 1397 | ATOM 1432 HN PHE X 149 -23.734 22.743 -8.982 1.00 0.00 0.163 HD 1398 | ATOM 1434 C PHE X 149 -25.307 25.238 -9.169 1.00 29.92 0.241 C 1399 | ATOM 1435 O PHE X 149 -26.035 25.881 -8.426 1.00 30.70 -0.271 OA 1400 | ATOM 1443 N GLY X 150 -24.261 25.766 -9.790 1.00 33.04 -0.351 N 1401 | ATOM 1444 HN GLY X 150 -23.698 25.183 -10.409 1.00 0.00 0.163 HD 1402 | ATOM 1445 CA GLY X 150 -23.903 27.163 -9.603 1.00 34.34 0.225 C 1403 | ATOM 1446 C GLY X 150 -25.024 28.141 -9.938 1.00 37.50 0.236 C 1404 | ATOM 1447 O GLY X 150 -25.190 29.155 -9.250 1.00 37.53 -0.272 OA 1405 | ATOM 1448 N LEU X 151 -25.798 27.847 -10.981 1.00 34.65 -0.346 N 1406 | ATOM 1449 HN LEU X 151 -25.625 26.992 -11.509 1.00 0.00 0.163 HD 1407 | ATOM 1450 CA LEU X 151 -26.886 28.725 -11.380 1.00 35.70 0.177 C 1408 | ATOM 1451 C LEU X 151 -28.268 28.180 -11.026 1.00 36.01 0.241 C 1409 | ATOM 1452 O LEU X 151 -29.286 28.766 -11.393 1.00 36.86 -0.271 OA 1410 | ATOM 1453 CB LEU X 151 -26.844 28.995 -12.886 1.00 40.49 0.038 C 1411 | ATOM 1454 CG LEU X 151 -25.551 29.446 -13.583 1.00 43.57 -0.020 C 1412 | ATOM 1455 CD1 LEU X 151 -25.886 29.740 -15.041 1.00 43.95 0.009 C 1413 | ATOM 1456 CD2 LEU X 151 -24.953 30.681 -12.918 1.00 41.26 0.009 C 1414 | ATOM 1457 N ALA X 152 -28.314 27.059 -10.319 1.00 38.20 -0.346 N 1415 | ATOM 1458 HN ALA X 152 -27.445 26.602 -10.041 1.00 0.00 0.163 HD 1416 | ATOM 1459 CA ALA X 152 -29.596 26.470 -9.934 1.00 41.24 0.172 C 1417 | ATOM 1460 C ALA X 152 -30.341 27.386 -8.960 1.00 42.60 0.240 C 1418 | ATOM 1461 O ALA X 152 -29.736 27.980 -8.068 1.00 42.91 -0.271 OA 1419 | ATOM 1462 CB ALA X 152 -29.378 25.099 -9.302 1.00 41.87 0.042 C 1420 | ATOM 1463 N ARG X 153 -31.651 27.496 -9.137 1.00 45.26 -0.346 N 1421 | ATOM 1464 HN ARG X 153 -32.099 26.978 -9.893 1.00 0.00 0.163 HD 1422 | ATOM 1465 CA ARG X 153 -32.462 28.342 -8.274 1.00 51.29 0.176 C 1423 | ATOM 1466 C ARG X 153 -33.771 27.663 -7.901 1.00 53.05 0.241 C 1424 | ATOM 1467 O ARG X 153 -34.300 26.851 -8.668 1.00 55.30 -0.271 OA 1425 | ATOM 1468 CB ARG X 153 -32.795 29.663 -8.978 1.00 56.11 0.036 C 1426 | ATOM 1469 CG ARG X 153 -31.608 30.560 -9.310 1.00 65.52 0.023 C 1427 | ATOM 1470 CD ARG X 153 -30.912 31.071 -8.051 1.00 70.29 0.138 C 1428 | ATOM 1471 NE ARG X 153 -30.126 32.281 -8.289 1.00 74.39 -0.227 N 1429 | ATOM 1472 HE ARG X 153 -30.361 33.111 -7.745 1.00 0.00 0.177 HD 1430 | ATOM 1473 CZ ARG X 153 -29.126 32.379 -9.163 1.00 75.64 0.665 C 1431 | ATOM 1474 NH1 ARG X 153 -28.474 33.530 -9.299 1.00 76.22 -0.235 N 1432 | ATOM 1475 1HH1 ARG X 153 -27.708 33.605 -9.968 1.00 0.00 0.174 HD 1433 | ATOM 1476 2HH1 ARG X 153 -28.740 34.334 -8.730 1.00 0.00 0.174 HD 1434 | ATOM 1477 NH2 ARG X 153 -28.780 31.332 -9.904 1.00 75.10 -0.235 N 1435 | ATOM 1478 1HH2 ARG X 153 -28.014 31.407 -10.573 1.00 0.00 0.174 HD 1436 | ATOM 1479 2HH2 ARG X 153 -29.280 30.449 -9.800 1.00 0.00 0.174 HD 1437 | ATOM 1480 N LEU X 154 -34.293 27.987 -6.723 1.00 52.43 -0.346 N 1438 | ATOM 1481 HN LEU X 154 -33.808 28.654 -6.122 1.00 0.00 0.163 HD 1439 | ATOM 1482 CA LEU X 154 -35.546 27.402 -6.282 1.00 54.41 0.177 C 1440 | ATOM 1483 C LEU X 154 -36.577 28.264 -6.991 1.00 56.28 0.241 C 1441 | ATOM 1484 O LEU X 154 -36.579 29.475 -6.832 1.00 56.38 -0.271 OA 1442 | ATOM 1485 CB LEU X 154 -35.704 27.538 -4.770 1.00 55.44 0.038 C 1443 | ATOM 1486 CG LEU X 154 -37.034 27.039 -4.187 1.00 55.02 -0.020 C 1444 | ATOM 1487 CD1 LEU X 154 -37.039 25.523 -4.161 1.00 54.00 0.009 C 1445 | ATOM 1488 CD2 LEU X 154 -37.224 27.583 -2.783 1.00 54.35 0.009 C 1446 | ATOM 1489 N ILE X 155 -37.446 27.652 -7.779 1.00 61.75 -0.346 N 1447 | ATOM 1490 HN ILE X 155 -37.408 26.639 -7.888 1.00 0.00 0.163 HD 1448 | ATOM 1491 CA ILE X 155 -38.455 28.419 -8.490 1.00 68.24 0.180 C 1449 | ATOM 1492 C ILE X 155 -39.461 29.096 -7.569 1.00 73.28 0.241 C 1450 | ATOM 1493 O ILE X 155 -40.136 28.434 -6.785 1.00 73.56 -0.271 OA 1451 | ATOM 1494 CB ILE X 155 -39.220 27.528 -9.481 1.00 67.49 0.013 C 1452 | ATOM 1495 CG1 ILE X 155 -38.251 26.937 -10.504 1.00 67.23 0.002 C 1453 | ATOM 1496 CG2 ILE X 155 -40.283 28.343 -10.187 1.00 66.60 0.012 C 1454 | ATOM 1497 CD1 ILE X 155 -37.610 27.975 -11.407 1.00 64.47 0.005 C 1455 | ATOM 1498 N GLU X 156 -39.551 30.419 -7.676 1.00 81.53 -0.346 N 1456 | ATOM 1499 HN GLU X 156 -38.955 30.901 -8.349 1.00 0.00 0.163 HD 1457 | ATOM 1500 CA GLU X 156 -40.477 31.205 -6.859 1.00 91.32 0.177 C 1458 | ATOM 1501 C GLU X 156 -41.914 30.959 -7.305 1.00 95.38 0.241 C 1459 | ATOM 1502 O GLU X 156 -42.480 29.899 -7.038 1.00 96.93 -0.271 OA 1460 | ATOM 1503 CB GLU X 156 -40.161 32.702 -6.967 1.00 94.01 0.045 C 1461 | ATOM 1504 CG GLU X 156 -39.007 33.173 -6.086 1.00 97.39 0.116 C 1462 | ATOM 1505 CD GLU X 156 -39.261 32.931 -4.607 1.00 98.67 0.172 C 1463 | ATOM 1506 OE1 GLU X 156 -39.372 31.750 -4.205 1.00 99.60 -0.648 OA 1464 | ATOM 1507 OE2 GLU X 156 -39.353 33.920 -3.846 1.00 98.34 -0.648 OA 1465 | ATOM 1508 N ASP X 157 -42.506 31.944 -7.974 1.00100.41 -0.346 N 1466 | ATOM 1509 HN ASP X 157 -41.994 32.807 -8.157 1.00 0.00 0.163 HD 1467 | ATOM 1510 CA ASP X 157 -43.878 31.807 -8.450 1.00104.94 0.186 C 1468 | ATOM 1511 C ASP X 157 -43.910 30.729 -9.528 1.00106.73 0.241 C 1469 | ATOM 1512 O ASP X 157 -44.830 29.910 -9.575 1.00106.96 -0.271 OA 1470 | ATOM 1513 CB ASP X 157 -44.398 33.137 -9.011 1.00106.51 0.147 C 1471 | ATOM 1514 CG ASP X 157 -44.729 34.149 -7.920 1.00108.61 0.175 C 1472 | ATOM 1515 OD1 ASP X 157 -45.279 35.219 -8.256 1.00110.09 -0.648 OA 1473 | ATOM 1516 OD2 ASP X 157 -44.446 33.881 -6.728 1.00108.17 -0.648 OA 1474 | ATOM 1517 N ASN X 158 -42.897 30.730 -10.390 1.00109.28 -0.346 N 1475 | ATOM 1518 HN ASN X 158 -42.165 31.434 -10.298 1.00 0.00 0.163 HD 1476 | ATOM 1519 CA ASN X 158 -42.808 29.747 -11.465 1.00111.03 0.185 C 1477 | ATOM 1520 C ASN X 158 -41.596 29.975 -12.368 1.00111.71 0.241 C 1478 | ATOM 1521 O ASN X 158 -41.230 29.099 -13.152 1.00111.53 -0.271 OA 1479 | ATOM 1522 CB ASN X 158 -44.081 29.761 -12.313 1.00112.00 0.137 C 1480 | ATOM 1523 CG ASN X 158 -44.371 28.412 -12.943 1.00113.68 0.217 C 1481 | ATOM 1524 ND2 ASN X 158 -44.036 28.267 -14.221 1.00115.05 -0.370 N 1482 | ATOM 1525 1HD2 ASN X 158 -43.618 29.018 -14.770 1.00 0.00 0.159 HD 1483 | ATOM 1526 2HD2 ASN X 158 -44.231 27.360 -14.645 1.00 0.00 0.159 HD 1484 | ATOM 1527 OD1 ASN X 158 -44.877 27.503 -12.279 1.00113.85 -0.274 OA 1485 | ATOM 1528 N GLU X 159 -40.973 31.147 -12.261 1.00112.74 -0.346 N 1486 | ATOM 1529 HN GLU X 159 -41.317 31.839 -11.596 1.00 0.00 0.163 HD 1487 | ATOM 1530 CA GLU X 159 -39.806 31.457 -13.080 1.00113.84 0.177 C 1488 | ATOM 1531 C GLU X 159 -38.773 32.273 -12.316 1.00113.82 0.241 C 1489 | ATOM 1532 O GLU X 159 -38.937 32.557 -11.131 1.00113.04 -0.271 OA 1490 | ATOM 1533 CB GLU X 159 -40.220 32.244 -14.325 1.00115.49 0.045 C 1491 | ATOM 1534 CG GLU X 159 -40.662 33.672 -14.034 1.00118.36 0.116 C 1492 | ATOM 1535 CD GLU X 159 -40.699 34.543 -15.277 1.00119.96 0.172 C 1493 | ATOM 1536 OE1 GLU X 159 -41.494 34.247 -16.195 1.00121.21 -0.648 OA 1494 | ATOM 1537 OE2 GLU X 159 -39.928 35.526 -15.339 1.00119.95 -0.648 OA 1495 | HETATM 1538 N PTR X 160 -37.704 32.642 -13.013 1.00114.69 -0.346 N 1496 | ATOM 1539 HN PTR X 160 -37.632 32.363 -13.991 1.00 0.00 0.163 HD 1497 | HETATM 1540 CA PTR X 160 -36.631 33.433 -12.424 1.00116.56 0.180 C 1498 | HETATM 1541 C PTR X 160 -36.139 34.478 -13.419 1.00116.62 0.241 C 1499 | HETATM 1542 O PTR X 160 -35.649 34.138 -14.495 1.00116.24 -0.271 OA 1500 | HETATM 1543 CB PTR X 160 -35.450 32.553 -12.008 1.00118.18 0.073 C 1501 | HETATM 1544 CG PTR X 160 -34.295 33.363 -11.452 1.00120.84 -0.056 A 1502 | HETATM 1545 CD1 PTR X 160 -33.068 32.774 -11.169 1.00121.38 0.010 A 1503 | HETATM 1546 CD2 PTR X 160 -34.432 34.727 -11.220 1.00122.94 0.010 A 1504 | HETATM 1547 CE1 PTR X 160 -32.010 33.529 -10.673 1.00123.02 0.038 A 1505 | HETATM 1548 CE2 PTR X 160 -33.387 35.487 -10.728 1.00124.34 0.038 A 1506 | HETATM 1549 CZ PTR X 160 -32.177 34.886 -10.456 1.00125.00 0.082 A 1507 | HETATM 1550 OH PTR X 160 -31.130 35.650 -9.971 1.00128.52 -0.240 OA 1508 | HETATM 1551 P PTR X 160 -31.208 37.164 -9.658 1.00130.37 0.427 P 1509 | HETATM 1552 O1P PTR X 160 -29.838 37.260 -9.093 1.00129.32 -0.617 OA 1510 | HETATM 1553 O2P PTR X 160 -31.440 37.664 -11.037 1.00130.32 -0.617 OA 1511 | HETATM 1554 O3P PTR X 160 -32.358 37.145 -8.717 1.00130.44 -0.617 OA 1512 | ATOM 1555 N THR X 161 -36.268 35.748 -13.047 1.00116.47 -0.344 N 1513 | ATOM 1556 HN THR X 161 -36.681 35.958 -12.138 1.00 0.00 0.163 HD 1514 | ATOM 1557 CA THR X 161 -35.837 36.849 -13.898 1.00116.66 0.205 C 1515 | ATOM 1558 C THR X 161 -34.438 37.293 -13.477 1.00116.55 0.243 C 1516 | ATOM 1559 O THR X 161 -34.283 38.093 -12.556 1.00116.09 -0.271 OA 1517 | ATOM 1560 CB THR X 161 -36.801 38.047 -13.784 1.00117.22 0.146 C 1518 | ATOM 1561 CG2 THR X 161 -36.383 39.159 -14.731 1.00117.98 0.042 C 1519 | ATOM 1562 OG1 THR X 161 -38.130 37.625 -14.114 1.00117.31 -0.393 OA 1520 | ATOM 1563 HG1 THR X 161 -38.391 36.930 -13.522 1.00 0.00 0.210 HD 1521 | ATOM 1564 N ALA X 162 -33.425 36.765 -14.158 1.00116.91 -0.346 N 1522 | ATOM 1565 HN ALA X 162 -33.625 36.107 -14.911 1.00 0.00 0.163 HD 1523 | ATOM 1566 CA ALA X 162 -32.032 37.099 -13.860 1.00117.73 0.172 C 1524 | ATOM 1567 C ALA X 162 -31.797 38.605 -13.842 1.00118.03 0.240 C 1525 | ATOM 1568 O ALA X 162 -32.670 39.382 -14.230 1.00118.49 -0.271 OA 1526 | ATOM 1569 CB ALA X 162 -31.106 36.438 -14.880 1.00117.17 0.042 C 1527 | ATOM 1570 N ARG X 163 -30.614 39.010 -13.386 1.00118.25 -0.346 N 1528 | ATOM 1571 HN ARG X 163 -29.934 38.317 -13.075 1.00 0.00 0.163 HD 1529 | ATOM 1572 CA ARG X 163 -30.272 40.427 -13.322 1.00119.06 0.176 C 1530 | ATOM 1573 C ARG X 163 -30.326 40.992 -14.733 1.00119.51 0.241 C 1531 | ATOM 1574 O ARG X 163 -29.992 42.155 -14.963 1.00118.73 -0.271 OA 1532 | ATOM 1575 CB ARG X 163 -28.864 40.622 -12.758 1.00119.17 0.036 C 1533 | ATOM 1576 CG ARG X 163 -28.568 39.806 -11.518 1.00119.77 0.023 C 1534 | ATOM 1577 CD ARG X 163 -27.748 38.579 -11.865 1.00118.75 0.138 C 1535 | ATOM 1578 NE ARG X 163 -26.413 38.942 -12.328 1.00118.70 -0.227 N 1536 | ATOM 1579 HE ARG X 163 -26.179 39.933 -12.380 1.00 0.00 0.177 HD 1537 | ATOM 1580 CZ ARG X 163 -25.483 38.063 -12.686 1.00119.00 0.665 C 1538 | ATOM 1581 NH1 ARG X 163 -24.291 38.481 -13.094 1.00118.62 -0.235 N 1539 | ATOM 1582 1HH1 ARG X 163 -23.577 37.806 -13.369 1.00 0.00 0.174 HD 1540 | ATOM 1583 2HH1 ARG X 163 -24.090 39.480 -13.129 1.00 0.00 0.174 HD 1541 | ATOM 1584 NH2 ARG X 163 -25.744 36.765 -12.640 1.00120.17 -0.235 N 1542 | ATOM 1585 1HH2 ARG X 163 -25.030 36.090 -12.915 1.00 0.00 0.174 HD 1543 | ATOM 1586 2HH2 ARG X 163 -26.660 36.444 -12.326 1.00 0.00 0.174 HD 1544 | ATOM 1587 N GLN X 164 -30.748 40.148 -15.671 1.00120.43 -0.346 N 1545 | ATOM 1588 HN GLN X 164 -31.004 39.199 -15.400 1.00 0.00 0.163 HD 1546 | ATOM 1589 CA GLN X 164 -30.857 40.532 -17.068 1.00120.63 0.177 C 1547 | ATOM 1590 C GLN X 164 -29.470 40.891 -17.595 1.00119.78 0.240 C 1548 | ATOM 1591 O GLN X 164 -29.328 41.609 -18.584 1.00119.22 -0.271 OA 1549 | ATOM 1592 CB GLN X 164 -31.822 41.715 -17.210 1.00121.82 0.044 C 1550 | ATOM 1593 CG GLN X 164 -33.246 41.380 -16.773 1.00123.99 0.105 C 1551 | ATOM 1594 CD GLN X 164 -34.149 42.597 -16.698 1.00125.47 0.215 C 1552 | ATOM 1595 NE2 GLN X 164 -34.757 42.812 -15.536 1.00125.02 -0.370 N 1553 | ATOM 1596 1HE2 GLN X 164 -35.364 43.630 -15.486 1.00 0.00 0.159 HD 1554 | ATOM 1597 2HE2 GLN X 164 -34.629 42.204 -14.727 1.00 0.00 0.159 HD 1555 | ATOM 1598 OE1 GLN X 164 -34.304 43.331 -17.674 1.00126.74 -0.274 OA 1556 | ATOM 1599 N GLY X 165 -28.451 40.372 -16.915 1.00118.94 -0.351 N 1557 | ATOM 1600 HN GLY X 165 -28.639 39.782 -16.105 1.00 0.00 0.163 HD 1558 | ATOM 1601 CA GLY X 165 -27.078 40.629 -17.304 1.00116.87 0.225 C 1559 | ATOM 1602 C GLY X 165 -26.312 39.357 -17.616 1.00115.61 0.236 C 1560 | ATOM 1603 O GLY X 165 -25.745 39.223 -18.701 1.00116.13 -0.272 OA 1561 | ATOM 1604 N ALA X 166 -26.295 38.420 -16.670 1.00113.53 -0.347 N 1562 | ATOM 1605 HN ALA X 166 -26.788 38.593 -15.794 1.00 0.00 0.163 HD 1563 | ATOM 1606 CA ALA X 166 -25.593 37.154 -16.847 1.00110.19 0.172 C 1564 | ATOM 1607 C ALA X 166 -25.764 36.609 -18.265 1.00108.58 0.240 C 1565 | ATOM 1608 O ALA X 166 -26.849 36.682 -18.845 1.00107.80 -0.271 OA 1566 | ATOM 1609 CB ALA X 166 -26.090 36.134 -15.830 1.00109.67 0.042 C 1567 | ATOM 1610 N LYS X 167 -24.682 36.068 -18.817 1.00105.98 -0.346 N 1568 | ATOM 1611 HN LYS X 167 -23.816 36.044 -18.279 1.00 0.00 0.163 HD 1569 | ATOM 1612 CA LYS X 167 -24.688 35.506 -20.166 1.00102.60 0.176 C 1570 | ATOM 1613 C LYS X 167 -24.741 33.978 -20.098 1.00 99.69 0.241 C 1571 | ATOM 1614 O LYS X 167 -23.911 33.353 -19.434 1.00101.18 -0.271 OA 1572 | ATOM 1615 CB LYS X 167 -23.426 35.954 -20.916 1.00103.31 0.035 C 1573 | ATOM 1616 CG LYS X 167 -23.312 35.447 -22.348 1.00103.68 0.004 C 1574 | ATOM 1617 CD LYS X 167 -24.409 36.016 -23.233 1.00105.27 0.027 C 1575 | ATOM 1618 CE LYS X 167 -24.238 35.593 -24.688 1.00106.65 0.229 C 1576 | ATOM 1619 NZ LYS X 167 -22.979 36.120 -25.291 1.00106.81 -0.079 N 1577 | ATOM 1620 HZ1 LYS X 167 -22.865 35.837 -26.264 1.00 0.00 0.274 HD 1578 | ATOM 1621 HZ2 LYS X 167 -22.166 35.856 -24.734 1.00 0.00 0.274 HD 1579 | ATOM 1622 HZ3 LYS X 167 -22.922 37.134 -25.194 1.00 0.00 0.274 HD 1580 | ATOM 1623 N PHE X 168 -25.715 33.382 -20.782 1.00 93.92 -0.346 N 1581 | ATOM 1624 HN PHE X 168 -26.373 33.952 -21.313 1.00 0.00 0.163 HD 1582 | ATOM 1625 CA PHE X 168 -25.861 31.928 -20.788 1.00 86.64 0.181 C 1583 | ATOM 1626 C PHE X 168 -25.553 31.323 -22.158 1.00 81.98 0.243 C 1584 | ATOM 1627 O PHE X 168 -25.595 32.009 -23.181 1.00 82.32 -0.271 OA 1585 | ATOM 1628 CB PHE X 168 -27.280 31.534 -20.353 1.00 86.14 0.073 C 1586 | ATOM 1629 CG PHE X 168 -27.648 32.013 -18.972 1.00 86.24 -0.056 A 1587 | ATOM 1630 CD1 PHE X 168 -28.106 33.306 -18.768 1.00 85.75 0.007 A 1588 | ATOM 1631 CD2 PHE X 168 -27.525 31.170 -17.874 1.00 85.29 0.007 A 1589 | ATOM 1632 CE1 PHE X 168 -28.435 33.750 -17.494 1.00 85.82 0.001 A 1590 | ATOM 1633 CE2 PHE X 168 -27.851 31.611 -16.599 1.00 84.22 0.001 A 1591 | ATOM 1634 CZ PHE X 168 -28.307 32.901 -16.410 1.00 84.46 0.000 A 1592 | ATOM 1635 N PRO X 169 -25.246 30.016 -22.191 1.00 76.52 -0.337 N 1593 | ATOM 1636 CA PRO X 169 -24.921 29.269 -23.412 1.00 72.37 0.179 C 1594 | ATOM 1637 C PRO X 169 -25.997 29.347 -24.499 1.00 69.10 0.241 C 1595 | ATOM 1638 O PRO X 169 -26.792 28.422 -24.674 1.00 67.71 -0.271 OA 1596 | ATOM 1639 CB PRO X 169 -24.702 27.846 -22.893 1.00 72.97 0.037 C 1597 | ATOM 1640 CG PRO X 169 -25.599 27.779 -21.696 1.00 71.53 0.022 C 1598 | ATOM 1641 CD PRO X 169 -25.345 29.107 -21.036 1.00 74.55 0.127 C 1599 | ATOM 1642 N ILE X 170 -25.998 30.459 -25.230 1.00 62.80 -0.346 N 1600 | ATOM 1643 HN ILE X 170 -25.300 31.176 -25.032 1.00 0.00 0.163 HD 1601 | ATOM 1644 CA ILE X 170 -26.960 30.693 -26.305 1.00 56.31 0.180 C 1602 | ATOM 1645 C ILE X 170 -27.484 29.462 -27.046 1.00 50.95 0.241 C 1603 | ATOM 1646 O ILE X 170 -28.676 29.384 -27.359 1.00 48.94 -0.271 OA 1604 | ATOM 1647 CB ILE X 170 -26.383 31.663 -27.351 1.00 56.76 0.013 C 1605 | ATOM 1648 CG1 ILE X 170 -26.533 33.096 -26.863 1.00 60.05 0.002 C 1606 | ATOM 1649 CG2 ILE X 170 -27.103 31.502 -28.677 1.00 58.18 0.012 C 1607 | ATOM 1650 CD1 ILE X 170 -27.983 33.564 -26.830 1.00 64.16 0.005 C 1608 | ATOM 1651 N LYS X 171 -26.606 28.504 -27.325 1.00 44.63 -0.346 N 1609 | ATOM 1652 HN LYS X 171 -25.633 28.613 -27.038 1.00 0.00 0.163 HD 1610 | ATOM 1653 CA LYS X 171 -27.017 27.298 -28.038 1.00 41.26 0.176 C 1611 | ATOM 1654 C LYS X 171 -27.864 26.299 -27.251 1.00 38.68 0.241 C 1612 | ATOM 1655 O LYS X 171 -28.674 25.589 -27.836 1.00 34.36 -0.271 OA 1613 | ATOM 1656 CB LYS X 171 -25.786 26.601 -28.622 1.00 39.30 0.035 C 1614 | ATOM 1657 CG LYS X 171 -25.032 27.482 -29.613 1.00 37.86 0.004 C 1615 | ATOM 1658 CD LYS X 171 -23.929 26.728 -30.332 1.00 39.94 0.027 C 1616 | ATOM 1659 CE LYS X 171 -23.058 27.666 -31.160 1.00 43.39 0.229 C 1617 | ATOM 1660 NZ LYS X 171 -23.829 28.423 -32.190 1.00 46.41 -0.079 N 1618 | ATOM 1661 HZ1 LYS X 171 -23.246 29.051 -32.744 1.00 0.00 0.274 HD 1619 | ATOM 1662 HZ2 LYS X 171 -24.606 28.929 -31.764 1.00 0.00 0.274 HD 1620 | ATOM 1663 HZ3 LYS X 171 -24.353 27.788 -32.792 1.00 0.00 0.274 HD 1621 | ATOM 1664 N TRP X 172 -27.690 26.252 -25.927 1.00 37.66 -0.346 N 1622 | ATOM 1665 HN TRP X 172 -27.008 26.874 -25.493 1.00 0.00 0.163 HD 1623 | ATOM 1666 CA TRP X 172 -28.456 25.328 -25.082 1.00 32.45 0.181 C 1624 | ATOM 1667 C TRP X 172 -29.577 26.049 -24.361 1.00 32.08 0.241 C 1625 | ATOM 1668 O TRP X 172 -30.479 25.414 -23.806 1.00 31.78 -0.271 OA 1626 | ATOM 1669 CB TRP X 172 -27.570 24.700 -24.018 1.00 28.80 0.075 C 1627 | ATOM 1670 CG TRP X 172 -26.586 23.719 -24.530 1.00 28.83 -0.028 A 1628 | ATOM 1671 CD1 TRP X 172 -26.709 22.366 -24.547 1.00 29.41 0.096 A 1629 | ATOM 1672 CD2 TRP X 172 -25.318 24.015 -25.110 1.00 25.78 -0.002 A 1630 | ATOM 1673 CE2 TRP X 172 -24.721 22.796 -25.457 1.00 25.88 0.042 A 1631 | ATOM 1674 CE3 TRP X 172 -24.627 25.201 -25.375 1.00 26.85 0.014 A 1632 | ATOM 1675 NE1 TRP X 172 -25.594 21.799 -25.104 1.00 27.79 -0.365 N 1633 | ATOM 1676 HE1 TRP X 172 -25.438 20.799 -25.235 1.00 0.00 0.165 HD 1634 | ATOM 1677 CZ2 TRP X 172 -23.468 22.716 -26.058 1.00 28.90 0.030 A 1635 | ATOM 1678 CZ3 TRP X 172 -23.383 25.125 -25.974 1.00 29.39 0.001 A 1636 | ATOM 1679 CH2 TRP X 172 -22.816 23.889 -26.308 1.00 27.48 0.002 A 1637 | ATOM 1680 N THR X 173 -29.526 27.372 -24.355 1.00 30.12 -0.344 N 1638 | ATOM 1681 HN THR X 173 -28.762 27.854 -24.828 1.00 0.00 0.163 HD 1639 | ATOM 1682 CA THR X 173 -30.557 28.137 -23.676 1.00 30.55 0.205 C 1640 | ATOM 1683 C THR X 173 -31.767 28.475 -24.531 1.00 31.95 0.243 C 1641 | ATOM 1684 O THR X 173 -31.641 28.945 -25.659 1.00 34.26 -0.271 OA 1642 | ATOM 1685 CB THR X 173 -29.951 29.423 -23.087 1.00 27.69 0.146 C 1643 | ATOM 1686 CG2 THR X 173 -31.019 30.259 -22.391 1.00 29.45 0.042 C 1644 | ATOM 1687 OG1 THR X 173 -28.943 29.063 -22.139 1.00 24.46 -0.393 OA 1645 | ATOM 1688 HG1 THR X 173 -28.569 29.857 -21.775 1.00 0.00 0.210 HD 1646 | ATOM 1689 N ALA X 174 -32.942 28.218 -23.966 1.00 33.92 -0.346 N 1647 | ATOM 1690 HN ALA X 174 -32.948 27.822 -23.026 1.00 0.00 0.163 HD 1648 | ATOM 1691 CA ALA X 174 -34.221 28.470 -24.614 1.00 35.21 0.172 C 1649 | ATOM 1692 C ALA X 174 -34.376 29.951 -24.939 1.00 38.68 0.243 C 1650 | ATOM 1693 O ALA X 174 -33.886 30.817 -24.206 1.00 36.36 -0.271 OA 1651 | ATOM 1694 CB ALA X 174 -35.354 28.017 -23.709 1.00 33.36 0.042 C 1652 | ATOM 1695 N PRO X 175 -35.062 30.259 -26.050 1.00 41.62 -0.337 N 1653 | ATOM 1696 CA PRO X 175 -35.292 31.638 -26.493 1.00 41.62 0.179 C 1654 | ATOM 1697 C PRO X 175 -36.001 32.576 -25.511 1.00 41.52 0.241 C 1655 | ATOM 1698 O PRO X 175 -35.560 33.704 -25.326 1.00 42.38 -0.271 OA 1656 | ATOM 1699 CB PRO X 175 -36.060 31.456 -27.811 1.00 42.05 0.037 C 1657 | ATOM 1700 CG PRO X 175 -36.678 30.086 -27.681 1.00 44.65 0.022 C 1658 | ATOM 1701 CD PRO X 175 -35.581 29.293 -27.033 1.00 41.28 0.127 C 1659 | ATOM 1702 N GLU X 176 -37.075 32.132 -24.865 1.00 41.16 -0.346 N 1660 | ATOM 1703 HN GLU X 176 -37.415 31.183 -25.022 1.00 0.00 0.163 HD 1661 | ATOM 1704 CA GLU X 176 -37.767 33.022 -23.923 1.00 42.43 0.177 C 1662 | ATOM 1705 C GLU X 176 -36.938 33.314 -22.675 1.00 41.29 0.241 C 1663 | ATOM 1706 O GLU X 176 -37.268 34.213 -21.903 1.00 40.98 -0.271 OA 1664 | ATOM 1707 CB GLU X 176 -39.105 32.435 -23.478 1.00 43.21 0.045 C 1665 | ATOM 1708 CG GLU X 176 -38.981 31.432 -22.348 1.00 45.32 0.116 C 1666 | ATOM 1709 CD GLU X 176 -38.655 30.043 -22.838 1.00 47.86 0.172 C 1667 | ATOM 1710 OE1 GLU X 176 -38.080 29.919 -23.947 1.00 50.36 -0.648 OA 1668 | ATOM 1711 OE2 GLU X 176 -38.966 29.073 -22.105 1.00 45.74 -0.648 OA 1669 | ATOM 1712 N ALA X 177 -35.871 32.549 -22.473 1.00 40.21 -0.346 N 1670 | ATOM 1713 HN ALA X 177 -35.649 31.814 -23.144 1.00 0.00 0.163 HD 1671 | ATOM 1714 CA ALA X 177 -35.012 32.739 -21.312 1.00 41.38 0.172 C 1672 | ATOM 1715 C ALA X 177 -33.882 33.726 -21.598 1.00 41.52 0.240 C 1673 | ATOM 1716 O ALA X 177 -33.541 34.558 -20.755 1.00 40.65 -0.271 OA 1674 | ATOM 1717 CB ALA X 177 -34.437 31.403 -20.875 1.00 39.32 0.042 C 1675 | ATOM 1718 N ALA X 178 -33.316 33.627 -22.796 1.00 43.77 -0.346 N 1676 | ATOM 1719 HN ALA X 178 -33.664 32.917 -23.441 1.00 0.00 0.163 HD 1677 | ATOM 1720 CA ALA X 178 -32.221 34.486 -23.232 1.00 45.38 0.172 C 1678 | ATOM 1721 C ALA X 178 -32.665 35.820 -23.845 1.00 48.28 0.240 C 1679 | ATOM 1722 O ALA X 178 -31.837 36.668 -24.172 1.00 47.13 -0.271 OA 1680 | ATOM 1723 CB ALA X 178 -31.353 33.723 -24.228 1.00 45.03 0.042 C 1681 | ATOM 1724 N LEU X 179 -33.969 36.011 -24.004 1.00 51.88 -0.346 N 1682 | ATOM 1725 HN LEU X 179 -34.621 35.281 -23.718 1.00 0.00 0.163 HD 1683 | ATOM 1726 CA LEU X 179 -34.483 37.244 -24.579 1.00 53.26 0.177 C 1684 | ATOM 1727 C LEU X 179 -35.304 38.037 -23.569 1.00 54.43 0.241 C 1685 | ATOM 1728 O LEU X 179 -35.497 39.237 -23.726 1.00 57.02 -0.271 OA 1686 | ATOM 1729 CB LEU X 179 -35.334 36.929 -25.821 1.00 54.33 0.038 C 1687 | ATOM 1730 CG LEU X 179 -34.596 36.274 -26.999 1.00 54.69 -0.020 C 1688 | ATOM 1731 CD1 LEU X 179 -35.583 35.873 -28.090 1.00 54.44 0.009 C 1689 | ATOM 1732 CD2 LEU X 179 -33.560 37.239 -27.558 1.00 56.27 0.009 C 1690 | ATOM 1733 N TYR X 180 -35.781 37.365 -22.530 1.00 55.53 -0.346 N 1691 | ATOM 1734 HN TYR X 180 -35.585 36.367 -22.448 1.00 0.00 0.163 HD 1692 | ATOM 1735 CA TYR X 180 -36.580 38.021 -21.502 1.00 56.04 0.180 C 1693 | ATOM 1736 C TYR X 180 -36.057 37.639 -20.120 1.00 55.28 0.241 C 1694 | ATOM 1737 O TYR X 180 -36.488 38.189 -19.106 1.00 53.35 -0.271 OA 1695 | ATOM 1738 CB TYR X 180 -38.052 37.609 -21.636 1.00 58.80 0.073 C 1696 | ATOM 1739 CG TYR X 180 -38.559 37.754 -23.048 1.00 63.39 -0.056 A 1697 | ATOM 1740 CD1 TYR X 180 -38.569 38.996 -23.678 1.00 64.59 0.010 A 1698 | ATOM 1741 CD2 TYR X 180 -38.964 36.644 -23.783 1.00 64.93 0.010 A 1699 | ATOM 1742 CE1 TYR X 180 -38.959 39.128 -25.000 1.00 66.56 0.037 A 1700 | ATOM 1743 CE2 TYR X 180 -39.357 36.767 -25.114 1.00 67.08 0.037 A 1701 | ATOM 1744 CZ TYR X 180 -39.351 38.011 -25.715 1.00 67.87 0.065 A 1702 | ATOM 1745 OH TYR X 180 -39.723 38.145 -27.031 1.00 66.40 -0.361 OA 1703 | ATOM 1746 HH TYR X 180 -39.992 37.378 -27.522 1.00 0.00 0.217 HD 1704 | ATOM 1747 N GLY X 181 -35.111 36.707 -20.096 1.00 54.55 -0.351 N 1705 | ATOM 1748 HN GLY X 181 -34.775 36.301 -20.970 1.00 0.00 0.163 HD 1706 | ATOM 1749 CA GLY X 181 -34.555 36.265 -18.836 1.00 55.69 0.225 C 1707 | ATOM 1750 C GLY X 181 -35.619 35.537 -18.039 1.00 55.46 0.236 C 1708 | ATOM 1751 O GLY X 181 -35.607 35.546 -16.810 1.00 57.14 -0.272 OA 1709 | ATOM 1752 N ARG X 182 -36.550 34.917 -18.759 1.00 53.95 -0.346 N 1710 | ATOM 1753 HN ARG X 182 -36.498 34.973 -19.776 1.00 0.00 0.163 HD 1711 | ATOM 1754 CA ARG X 182 -37.641 34.161 -18.157 1.00 52.98 0.176 C 1712 | ATOM 1755 C ARG X 182 -37.276 32.682 -18.136 1.00 50.76 0.241 C 1713 | ATOM 1756 O ARG X 182 -37.503 31.959 -19.103 1.00 49.09 -0.271 OA 1714 | ATOM 1757 CB ARG X 182 -38.932 34.409 -18.951 1.00 57.32 0.036 C 1715 | ATOM 1758 CG ARG X 182 -39.684 33.179 -19.432 1.00 63.06 0.023 C 1716 | ATOM 1759 CD ARG X 182 -40.389 32.443 -18.296 1.00 68.94 0.138 C 1717 | ATOM 1760 NE ARG X 182 -41.147 31.282 -18.775 1.00 69.45 -0.227 N 1718 | ATOM 1761 HE ARG X 182 -42.165 31.328 -18.727 1.00 0.00 0.177 HD 1719 | ATOM 1762 CZ ARG X 182 -40.601 30.173 -19.268 1.00 69.51 0.665 C 1720 | ATOM 1763 NH1 ARG X 182 -41.376 29.180 -19.678 1.00 69.07 -0.235 N 1721 | ATOM 1764 1HH1 ARG X 182 -42.390 29.274 -19.621 1.00 0.00 0.174 HD 1722 | ATOM 1765 2HH1 ARG X 182 -40.958 28.330 -20.056 1.00 0.00 0.174 HD 1723 | ATOM 1766 NH2 ARG X 182 -39.282 30.051 -19.342 1.00 67.30 -0.235 N 1724 | ATOM 1767 1HH2 ARG X 182 -38.685 30.816 -19.026 1.00 0.00 0.174 HD 1725 | ATOM 1768 2HH2 ARG X 182 -38.864 29.201 -19.720 1.00 0.00 0.174 HD 1726 | ATOM 1769 N PHE X 183 -36.677 32.250 -17.027 1.00 50.35 -0.346 N 1727 | ATOM 1770 HN PHE X 183 -36.500 32.912 -16.272 1.00 0.00 0.163 HD 1728 | ATOM 1771 CA PHE X 183 -36.265 30.857 -16.857 1.00 47.05 0.180 C 1729 | ATOM 1772 C PHE X 183 -37.299 30.035 -16.100 1.00 44.57 0.241 C 1730 | ATOM 1773 O PHE X 183 -37.929 30.517 -15.151 1.00 43.54 -0.271 OA 1731 | ATOM 1774 CB PHE X 183 -34.934 30.767 -16.112 1.00 47.71 0.073 C 1732 | ATOM 1775 CG PHE X 183 -33.740 31.189 -16.918 1.00 47.09 -0.056 A 1733 | ATOM 1776 CD1 PHE X 183 -33.291 32.496 -16.885 1.00 48.19 0.007 A 1734 | ATOM 1777 CD2 PHE X 183 -33.058 30.265 -17.699 1.00 46.80 0.007 A 1735 | ATOM 1778 CE1 PHE X 183 -32.174 32.881 -17.611 1.00 46.31 0.001 A 1736 | ATOM 1779 CE2 PHE X 183 -31.943 30.638 -18.428 1.00 45.84 0.001 A 1737 | ATOM 1780 CZ PHE X 183 -31.500 31.952 -18.384 1.00 47.84 0.000 A 1738 | ATOM 1781 N THR X 184 -37.456 28.787 -16.521 1.00 40.75 -0.344 N 1739 | ATOM 1782 HN THR X 184 -36.893 28.456 -17.304 1.00 0.00 0.163 HD 1740 | ATOM 1783 CA THR X 184 -38.406 27.873 -15.902 1.00 36.97 0.205 C 1741 | ATOM 1784 C THR X 184 -37.918 26.459 -16.128 1.00 33.32 0.243 C 1742 | ATOM 1785 O THR X 184 -36.928 26.244 -16.829 1.00 33.48 -0.271 OA 1743 | ATOM 1786 CB THR X 184 -39.800 27.996 -16.536 1.00 38.03 0.146 C 1744 | ATOM 1787 CG2 THR X 184 -40.346 29.392 -16.346 1.00 33.22 0.042 C 1745 | ATOM 1788 OG1 THR X 184 -39.707 27.704 -17.942 1.00 38.56 -0.393 OA 1746 | ATOM 1789 HG1 THR X 184 -39.364 26.826 -18.061 1.00 0.00 0.210 HD 1747 | ATOM 1790 N ILE X 185 -38.598 25.494 -15.531 1.00 28.33 -0.346 N 1748 | ATOM 1791 HN ILE X 185 -39.403 25.727 -14.949 1.00 0.00 0.163 HD 1749 | ATOM 1792 CA ILE X 185 -38.208 24.107 -15.698 1.00 25.23 0.180 C 1750 | ATOM 1793 C ILE X 185 -38.330 23.810 -17.196 1.00 27.49 0.241 C 1751 | ATOM 1794 O ILE X 185 -37.588 22.995 -17.736 1.00 26.82 -0.271 OA 1752 | ATOM 1795 CB ILE X 185 -39.133 23.164 -14.881 1.00 23.51 0.013 C 1753 | ATOM 1796 CG1 ILE X 185 -38.599 21.730 -14.932 1.00 21.59 0.002 C 1754 | ATOM 1797 CG2 ILE X 185 -40.555 23.210 -15.422 1.00 22.00 0.012 C 1755 | ATOM 1798 CD1 ILE X 185 -37.231 21.577 -14.318 1.00 17.46 0.005 C 1756 | ATOM 1799 N LYS X 186 -39.265 24.492 -17.862 1.00 30.87 -0.346 N 1757 | ATOM 1800 HN LYS X 186 -39.844 25.159 -17.352 1.00 0.00 0.163 HD 1758 | ATOM 1801 CA LYS X 186 -39.489 24.315 -19.302 1.00 34.77 0.176 C 1759 | ATOM 1802 C LYS X 186 -38.267 24.765 -20.098 1.00 34.57 0.241 C 1760 | ATOM 1803 O LYS X 186 -38.054 24.324 -21.224 1.00 36.48 -0.271 OA 1761 | ATOM 1804 CB LYS X 186 -40.706 25.115 -19.790 1.00 34.19 0.035 C 1762 | ATOM 1805 CG LYS X 186 -42.051 24.597 -19.311 1.00 32.20 0.004 C 1763 | ATOM 1806 CD LYS X 186 -42.219 23.116 -19.590 1.00 31.16 0.027 C 1764 | ATOM 1807 CE LYS X 186 -43.672 22.703 -19.405 1.00 25.53 0.229 C 1765 | ATOM 1808 NZ LYS X 186 -43.815 21.231 -19.362 1.00 24.55 -0.079 N 1766 | ATOM 1809 HZ1 LYS X 186 -44.789 20.954 -19.238 1.00 0.00 0.274 HD 1767 | ATOM 1810 HZ2 LYS X 186 -43.216 20.818 -18.647 1.00 0.00 0.274 HD 1768 | ATOM 1811 HZ3 LYS X 186 -43.404 20.792 -20.186 1.00 0.00 0.274 HD 1769 | ATOM 1812 N SER X 187 -37.484 25.667 -19.521 1.00 34.14 -0.344 N 1770 | ATOM 1813 HN SER X 187 -37.729 26.020 -18.596 1.00 0.00 0.163 HD 1771 | ATOM 1814 CA SER X 187 -36.282 26.165 -20.178 1.00 33.62 0.200 C 1772 | ATOM 1815 C SER X 187 -35.231 25.047 -20.192 1.00 33.75 0.243 C 1773 | ATOM 1816 O SER X 187 -34.452 24.927 -21.150 1.00 28.56 -0.271 OA 1774 | ATOM 1817 CB SER X 187 -35.729 27.376 -19.433 1.00 34.31 0.199 C 1775 | ATOM 1818 OG SER X 187 -36.698 28.407 -19.415 1.00 43.99 -0.398 OA 1776 | ATOM 1819 HG SER X 187 -36.354 29.161 -18.951 1.00 0.00 0.209 HD 1777 | ATOM 1820 N ASP X 188 -35.211 24.236 -19.129 1.00 30.87 -0.345 N 1778 | ATOM 1821 HN ASP X 188 -35.872 24.389 -18.367 1.00 0.00 0.163 HD 1779 | ATOM 1822 CA ASP X 188 -34.259 23.138 -19.044 1.00 29.22 0.186 C 1780 | ATOM 1823 C ASP X 188 -34.696 22.096 -20.059 1.00 25.84 0.241 C 1781 | ATOM 1824 O ASP X 188 -33.858 21.396 -20.628 1.00 23.23 -0.271 OA 1782 | ATOM 1825 CB ASP X 188 -34.248 22.498 -17.648 1.00 38.41 0.147 C 1783 | ATOM 1826 CG ASP X 188 -33.579 23.378 -16.575 1.00 46.39 0.175 C 1784 | ATOM 1827 OD1 ASP X 188 -32.540 24.020 -16.865 1.00 49.79 -0.648 OA 1785 | ATOM 1828 OD2 ASP X 188 -34.084 23.405 -15.432 1.00 45.45 -0.648 OA 1786 | ATOM 1829 N VAL X 189 -36.006 22.003 -20.281 1.00 21.08 -0.346 N 1787 | ATOM 1830 HN VAL X 189 -36.640 22.620 -19.773 1.00 0.00 0.163 HD 1788 | ATOM 1831 CA VAL X 189 -36.560 21.040 -21.234 1.00 21.96 0.180 C 1789 | ATOM 1832 C VAL X 189 -36.004 21.374 -22.618 1.00 23.60 0.241 C 1790 | ATOM 1833 O VAL X 189 -35.649 20.489 -23.397 1.00 22.39 -0.271 OA 1791 | ATOM 1834 CB VAL X 189 -38.112 21.092 -21.280 1.00 23.32 0.009 C 1792 | ATOM 1835 CG1 VAL X 189 -38.649 20.076 -22.309 1.00 20.57 0.012 C 1793 | ATOM 1836 CG2 VAL X 189 -38.692 20.795 -19.898 1.00 22.59 0.012 C 1794 | ATOM 1837 N TRP X 190 -35.940 22.661 -22.920 1.00 22.41 -0.346 N 1795 | ATOM 1838 HN TRP X 190 -36.260 23.358 -22.248 1.00 0.00 0.163 HD 1796 | ATOM 1839 CA TRP X 190 -35.419 23.080 -24.196 1.00 25.62 0.181 C 1797 | ATOM 1840 C TRP X 190 -33.964 22.586 -24.235 1.00 25.77 0.241 C 1798 | ATOM 1841 O TRP X 190 -33.528 21.973 -25.203 1.00 29.22 -0.271 OA 1799 | ATOM 1842 CB TRP X 190 -35.471 24.616 -24.316 1.00 25.84 0.075 C 1800 | ATOM 1843 CG TRP X 190 -34.713 25.146 -25.504 1.00 30.37 -0.028 A 1801 | ATOM 1844 CD1 TRP X 190 -33.359 25.130 -25.681 1.00 29.97 0.096 A 1802 | ATOM 1845 CD2 TRP X 190 -35.267 25.679 -26.719 1.00 32.13 -0.002 A 1803 | ATOM 1846 CE2 TRP X 190 -34.187 25.956 -27.593 1.00 29.57 0.042 A 1804 | ATOM 1847 CE3 TRP X 190 -36.570 25.946 -27.162 1.00 32.66 0.014 A 1805 | ATOM 1848 NE1 TRP X 190 -33.032 25.612 -26.936 1.00 29.77 -0.365 N 1806 | ATOM 1849 HE1 TRP X 190 -32.087 25.698 -27.311 1.00 0.00 0.165 HD 1807 | ATOM 1850 CZ2 TRP X 190 -34.363 26.476 -28.865 1.00 31.32 0.030 A 1808 | ATOM 1851 CZ3 TRP X 190 -36.743 26.471 -28.440 1.00 32.66 0.001 A 1809 | ATOM 1852 CH2 TRP X 190 -35.648 26.729 -29.273 1.00 31.36 0.002 A 1810 | ATOM 1853 N SER X 191 -33.231 22.844 -23.156 1.00 25.05 -0.344 N 1811 | ATOM 1854 HN SER X 191 -33.662 23.340 -22.376 1.00 0.00 0.163 HD 1812 | ATOM 1855 CA SER X 191 -31.836 22.444 -23.047 1.00 24.33 0.200 C 1813 | ATOM 1856 C SER X 191 -31.679 20.943 -23.085 1.00 26.29 0.243 C 1814 | ATOM 1857 O SER X 191 -30.664 20.428 -23.559 1.00 28.67 -0.271 OA 1815 | ATOM 1858 CB SER X 191 -31.222 22.981 -21.749 1.00 22.49 0.199 C 1816 | ATOM 1859 OG SER X 191 -31.258 24.392 -21.744 1.00 22.18 -0.398 OA 1817 | ATOM 1860 HG SER X 191 -30.878 24.725 -20.940 1.00 0.00 0.209 HD 1818 | ATOM 1861 N PHE X 192 -32.663 20.231 -22.563 1.00 28.10 -0.346 N 1819 | ATOM 1862 HN PHE X 192 -33.480 20.689 -22.158 1.00 0.00 0.163 HD 1820 | ATOM 1863 CA PHE X 192 -32.557 18.786 -22.578 1.00 28.09 0.180 C 1821 | ATOM 1864 C PHE X 192 -32.625 18.384 -24.045 1.00 28.77 0.241 C 1822 | ATOM 1865 O PHE X 192 -31.944 17.467 -24.499 1.00 28.83 -0.271 OA 1823 | ATOM 1866 CB PHE X 192 -33.714 18.133 -21.820 1.00 27.57 0.073 C 1824 | ATOM 1867 CG PHE X 192 -33.637 16.643 -21.818 1.00 26.83 -0.056 A 1825 | ATOM 1868 CD1 PHE X 192 -32.792 15.990 -20.948 1.00 27.66 0.007 A 1826 | ATOM 1869 CD2 PHE X 192 -34.330 15.902 -22.757 1.00 27.09 0.007 A 1827 | ATOM 1870 CE1 PHE X 192 -32.629 14.620 -21.015 1.00 21.43 0.001 A 1828 | ATOM 1871 CE2 PHE X 192 -34.175 14.545 -22.834 1.00 24.17 0.001 A 1829 | ATOM 1872 CZ PHE X 192 -33.316 13.901 -21.957 1.00 26.50 0.000 A 1830 | ATOM 1873 N GLY X 193 -33.473 19.098 -24.771 1.00 27.09 -0.351 N 1831 | ATOM 1874 HN GLY X 193 -33.993 19.856 -24.329 1.00 0.00 0.163 HD 1832 | ATOM 1875 CA GLY X 193 -33.676 18.826 -26.174 1.00 22.43 0.225 C 1833 | ATOM 1876 C GLY X 193 -32.386 18.974 -26.944 1.00 22.84 0.236 C 1834 | ATOM 1877 O GLY X 193 -32.095 18.203 -27.870 1.00 25.93 -0.272 OA 1835 | ATOM 1878 N ILE X 194 -31.590 19.959 -26.563 1.00 17.25 -0.346 N 1836 | ATOM 1879 HN ILE X 194 -31.859 20.566 -25.789 1.00 0.00 0.163 HD 1837 | ATOM 1880 CA ILE X 194 -30.332 20.170 -27.254 1.00 18.05 0.180 C 1838 | ATOM 1881 C ILE X 194 -29.253 19.191 -26.779 1.00 17.96 0.241 C 1839 | ATOM 1882 O ILE X 194 -28.290 18.916 -27.501 1.00 14.64 -0.271 OA 1840 | ATOM 1883 CB ILE X 194 -29.884 21.633 -27.109 1.00 18.39 0.013 C 1841 | ATOM 1884 CG1 ILE X 194 -30.849 22.499 -27.940 1.00 19.39 0.002 C 1842 | ATOM 1885 CG2 ILE X 194 -28.459 21.812 -27.613 1.00 14.76 0.012 C 1843 | ATOM 1886 CD1 ILE X 194 -30.771 23.957 -27.691 1.00 20.89 0.005 C 1844 | ATOM 1887 N LEU X 195 -29.442 18.640 -25.584 1.00 18.21 -0.346 N 1845 | ATOM 1888 HN LEU X 195 -30.269 18.887 -25.040 1.00 0.00 0.163 HD 1846 | ATOM 1889 CA LEU X 195 -28.496 17.701 -25.050 1.00 17.60 0.177 C 1847 | ATOM 1890 C LEU X 195 -28.674 16.424 -25.838 1.00 17.95 0.241 C 1848 | ATOM 1891 O LEU X 195 -27.691 15.758 -26.167 1.00 16.73 -0.271 OA 1849 | ATOM 1892 CB LEU X 195 -28.748 17.454 -23.554 1.00 20.57 0.038 C 1850 | ATOM 1893 CG LEU X 195 -27.675 16.583 -22.868 1.00 21.43 -0.020 C 1851 | ATOM 1894 CD1 LEU X 195 -27.685 16.817 -21.377 1.00 18.73 0.009 C 1852 | ATOM 1895 CD2 LEU X 195 -27.914 15.113 -23.206 1.00 23.19 0.009 C 1853 | ATOM 1896 N LEU X 196 -29.921 16.072 -26.149 1.00 20.62 -0.346 N 1854 | ATOM 1897 HN LEU X 196 -30.703 16.657 -25.854 1.00 0.00 0.163 HD 1855 | ATOM 1898 CA LEU X 196 -30.172 14.854 -26.909 1.00 21.52 0.177 C 1856 | ATOM 1899 C LEU X 196 -29.304 14.970 -28.139 1.00 23.25 0.241 C 1857 | ATOM 1900 O LEU X 196 -28.602 14.044 -28.517 1.00 21.62 -0.271 OA 1858 | ATOM 1901 CB LEU X 196 -31.623 14.770 -27.351 1.00 26.51 0.038 C 1859 | ATOM 1902 CG LEU X 196 -32.677 14.459 -26.293 1.00 31.71 -0.020 C 1860 | ATOM 1903 CD1 LEU X 196 -34.042 14.359 -26.967 1.00 30.93 0.009 C 1861 | ATOM 1904 CD2 LEU X 196 -32.317 13.155 -25.584 1.00 31.46 0.009 C 1862 | ATOM 1905 N THR X 197 -29.370 16.142 -28.762 1.00 27.06 -0.344 N 1863 | ATOM 1906 HN THR X 197 -29.985 16.863 -28.384 1.00 0.00 0.163 HD 1864 | ATOM 1907 CA THR X 197 -28.601 16.440 -29.962 1.00 28.89 0.205 C 1865 | ATOM 1908 C THR X 197 -27.151 16.032 -29.758 1.00 29.47 0.243 C 1866 | ATOM 1909 O THR X 197 -26.568 15.330 -30.584 1.00 30.41 -0.271 OA 1867 | ATOM 1910 CB THR X 197 -28.647 17.940 -30.292 1.00 31.77 0.146 C 1868 | ATOM 1911 CG2 THR X 197 -27.603 18.292 -31.319 1.00 35.04 0.042 C 1869 | ATOM 1912 OG1 THR X 197 -29.948 18.281 -30.788 1.00 36.38 -0.393 OA 1870 | ATOM 1913 HG1 THR X 197 -29.976 19.208 -30.992 1.00 0.00 0.210 HD 1871 | ATOM 1914 N GLU X 198 -26.561 16.472 -28.655 1.00 33.14 -0.346 N 1872 | ATOM 1915 HN GLU X 198 -27.095 17.050 -28.006 1.00 0.00 0.163 HD 1873 | ATOM 1916 CA GLU X 198 -25.172 16.155 -28.341 1.00 34.11 0.177 C 1874 | ATOM 1917 C GLU X 198 -24.979 14.657 -28.140 1.00 33.22 0.241 C 1875 | ATOM 1918 O GLU X 198 -24.214 13.998 -28.849 1.00 33.80 -0.271 OA 1876 | ATOM 1919 CB GLU X 198 -24.739 16.889 -27.066 1.00 35.12 0.045 C 1877 | ATOM 1920 CG GLU X 198 -24.911 18.401 -27.100 1.00 33.38 0.116 C 1878 | ATOM 1921 CD GLU X 198 -24.679 19.033 -25.735 1.00 34.24 0.172 C 1879 | ATOM 1922 OE1 GLU X 198 -25.592 18.941 -24.887 1.00 31.85 -0.648 OA 1880 | ATOM 1923 OE2 GLU X 198 -23.588 19.603 -25.506 1.00 34.92 -0.648 OA 1881 | ATOM 1924 N LEU X 199 -25.687 14.131 -27.155 1.00 31.99 -0.346 N 1882 | ATOM 1925 HN LEU X 199 -26.301 14.740 -26.613 1.00 0.00 0.163 HD 1883 | ATOM 1926 CA LEU X 199 -25.625 12.724 -26.815 1.00 34.54 0.177 C 1884 | ATOM 1927 C LEU X 199 -25.867 11.825 -28.018 1.00 36.30 0.241 C 1885 | ATOM 1928 O LEU X 199 -25.567 10.629 -27.990 1.00 37.76 -0.271 OA 1886 | ATOM 1929 CB LEU X 199 -26.665 12.424 -25.730 1.00 32.05 0.038 C 1887 | ATOM 1930 CG LEU X 199 -26.592 11.022 -25.150 1.00 31.00 -0.020 C 1888 | ATOM 1931 CD1 LEU X 199 -25.195 10.776 -24.608 1.00 29.77 0.009 C 1889 | ATOM 1932 CD2 LEU X 199 -27.622 10.871 -24.063 1.00 34.93 0.009 C 1890 | ATOM 1933 N VAL X 200 -26.402 12.397 -29.084 1.00 37.73 -0.346 N 1891 | ATOM 1934 HN VAL X 200 -26.622 13.393 -29.075 1.00 0.00 0.163 HD 1892 | ATOM 1935 CA VAL X 200 -26.674 11.602 -30.265 1.00 39.00 0.180 C 1893 | ATOM 1936 C VAL X 200 -25.646 11.793 -31.382 1.00 42.94 0.241 C 1894 | ATOM 1937 O VAL X 200 -25.507 10.929 -32.259 1.00 46.38 -0.271 OA 1895 | ATOM 1938 CB VAL X 200 -28.113 11.896 -30.784 1.00 35.02 0.009 C 1896 | ATOM 1939 CG1 VAL X 200 -28.079 12.423 -32.213 1.00 27.71 0.012 C 1897 | ATOM 1940 CG2 VAL X 200 -28.953 10.628 -30.696 1.00 32.65 0.012 C 1898 | ATOM 1941 N THR X 201 -24.907 12.900 -31.354 1.00 41.60 -0.344 N 1899 | ATOM 1942 HN THR X 201 -25.036 13.583 -30.607 1.00 0.00 0.163 HD 1900 | ATOM 1943 CA THR X 201 -23.916 13.132 -32.392 1.00 43.22 0.205 C 1901 | ATOM 1944 C THR X 201 -22.472 13.135 -31.894 1.00 42.56 0.243 C 1902 | ATOM 1945 O THR X 201 -21.625 13.877 -32.397 1.00 43.31 -0.271 OA 1903 | ATOM 1946 CB THR X 201 -24.203 14.453 -33.146 1.00 47.46 0.146 C 1904 | ATOM 1947 CG2 THR X 201 -25.523 14.356 -33.908 1.00 47.24 0.042 C 1905 | ATOM 1948 OG1 THR X 201 -24.265 15.542 -32.217 1.00 52.48 -0.393 OA 1906 | ATOM 1949 HG1 THR X 201 -24.441 16.353 -32.680 1.00 0.00 0.210 HD 1907 | ATOM 1950 N LYS X 202 -22.187 12.300 -30.904 1.00 40.84 -0.346 N 1908 | ATOM 1951 HN LYS X 202 -22.923 11.708 -30.518 1.00 0.00 0.163 HD 1909 | ATOM 1952 CA LYS X 202 -20.837 12.215 -30.359 1.00 41.25 0.176 C 1910 | ATOM 1953 C LYS X 202 -20.351 13.520 -29.760 1.00 39.10 0.240 C 1911 | ATOM 1954 O LYS X 202 -19.188 13.872 -29.902 1.00 39.55 -0.271 OA 1912 | ATOM 1955 CB LYS X 202 -19.865 11.779 -31.456 1.00 43.25 0.035 C 1913 | ATOM 1956 CG LYS X 202 -20.127 10.371 -31.982 1.00 50.77 0.004 C 1914 | ATOM 1957 CD LYS X 202 -19.718 9.313 -30.959 1.00 53.18 0.027 C 1915 | ATOM 1958 CE LYS X 202 -20.516 8.020 -31.144 1.00 52.64 0.229 C 1916 | ATOM 1959 NZ LYS X 202 -21.857 8.099 -30.499 1.00 50.36 -0.079 N 1917 | ATOM 1960 HZ1 LYS X 202 -22.389 7.237 -30.622 1.00 0.00 0.274 HD 1918 | ATOM 1961 HZ2 LYS X 202 -22.381 8.909 -30.830 1.00 0.00 0.274 HD 1919 | ATOM 1962 HZ3 LYS X 202 -21.780 8.350 -29.513 1.00 0.00 0.274 HD 1920 | ATOM 1963 N GLY X 203 -21.235 14.248 -29.092 1.00 38.42 -0.351 N 1921 | ATOM 1964 HN GLY X 203 -22.201 13.933 -29.006 1.00 0.00 0.163 HD 1922 | ATOM 1965 CA GLY X 203 -20.817 15.495 -28.485 1.00 35.42 0.225 C 1923 | ATOM 1966 C GLY X 203 -20.470 16.591 -29.479 1.00 34.96 0.236 C 1924 | ATOM 1967 O GLY X 203 -19.500 17.331 -29.283 1.00 31.23 -0.272 OA 1925 | ATOM 1968 N ARG X 204 -21.257 16.697 -30.544 1.00 34.24 -0.346 N 1926 | ATOM 1969 HN ARG X 204 -22.025 16.038 -30.671 1.00 0.00 0.163 HD 1927 | ATOM 1970 CA ARG X 204 -21.037 17.741 -31.531 1.00 34.79 0.176 C 1928 | ATOM 1971 C ARG X 204 -21.613 19.038 -30.985 1.00 33.01 0.241 C 1929 | ATOM 1972 O ARG X 204 -22.529 19.019 -30.160 1.00 34.06 -0.271 OA 1930 | ATOM 1973 CB ARG X 204 -21.755 17.407 -32.845 1.00 39.40 0.036 C 1931 | ATOM 1974 CG ARG X 204 -21.730 18.563 -33.835 1.00 39.22 0.023 C 1932 | ATOM 1975 CD ARG X 204 -22.710 18.361 -34.971 1.00 41.69 0.138 C 1933 | ATOM 1976 NE ARG X 204 -24.079 18.710 -34.591 1.00 44.43 -0.227 N 1934 | ATOM 1977 HE ARG X 204 -24.249 19.012 -33.632 1.00 0.00 0.177 HD 1935 | ATOM 1978 CZ ARG X 204 -25.116 18.657 -35.424 1.00 45.23 0.665 C 1936 | ATOM 1979 NH1 ARG X 204 -26.326 18.997 -35.005 1.00 45.81 -0.235 N 1937 | ATOM 1980 1HH1 ARG X 204 -26.459 19.301 -34.041 1.00 0.00 0.174 HD 1938 | ATOM 1981 2HH1 ARG X 204 -27.121 18.956 -35.643 1.00 0.00 0.174 HD 1939 | ATOM 1982 NH2 ARG X 204 -24.943 18.261 -36.679 1.00 43.39 -0.235 N 1940 | ATOM 1983 1HH2 ARG X 204 -24.011 17.999 -37.002 1.00 0.00 0.174 HD 1941 | ATOM 1984 2HH2 ARG X 204 -25.738 18.220 -37.317 1.00 0.00 0.174 HD 1942 | ATOM 1985 N VAL X 205 -21.087 20.162 -31.448 1.00 31.03 -0.346 N 1943 | ATOM 1986 HN VAL X 205 -20.333 20.121 -32.134 1.00 0.00 0.163 HD 1944 | ATOM 1987 CA VAL X 205 -21.572 21.455 -30.989 1.00 31.39 0.180 C 1945 | ATOM 1988 C VAL X 205 -22.898 21.713 -31.688 1.00 32.59 0.243 C 1946 | ATOM 1989 O VAL X 205 -23.005 21.581 -32.905 1.00 32.98 -0.271 OA 1947 | ATOM 1990 CB VAL X 205 -20.577 22.601 -31.324 1.00 29.91 0.009 C 1948 | ATOM 1991 CG1 VAL X 205 -20.414 22.727 -32.836 1.00 33.71 0.012 C 1949 | ATOM 1992 CG2 VAL X 205 -21.069 23.910 -30.742 1.00 28.71 0.012 C 1950 | ATOM 1993 N PRO X 206 -23.945 22.058 -30.920 1.00 34.53 -0.337 N 1951 | ATOM 1994 CA PRO X 206 -25.248 22.320 -31.535 1.00 35.24 0.179 C 1952 | ATOM 1995 C PRO X 206 -25.179 23.423 -32.583 1.00 37.52 0.241 C 1953 | ATOM 1996 O PRO X 206 -24.270 24.254 -32.561 1.00 37.28 -0.271 OA 1954 | ATOM 1997 CB PRO X 206 -26.109 22.713 -30.344 1.00 32.79 0.037 C 1955 | ATOM 1998 CG PRO X 206 -25.121 23.307 -29.390 1.00 34.03 0.022 C 1956 | ATOM 1999 CD PRO X 206 -23.993 22.331 -29.476 1.00 31.14 0.127 C 1957 | ATOM 2000 N TYR X 207 -26.148 23.409 -33.493 1.00 41.77 -0.346 N 1958 | ATOM 2001 HN TYR X 207 -26.855 22.676 -33.438 1.00 0.00 0.163 HD 1959 | ATOM 2002 CA TYR X 207 -26.250 24.393 -34.568 1.00 43.89 0.181 C 1960 | ATOM 2003 C TYR X 207 -24.911 24.599 -35.273 1.00 46.58 0.243 C 1961 | ATOM 2004 O TYR X 207 -24.368 25.704 -35.306 1.00 45.43 -0.271 OA 1962 | ATOM 2005 CB TYR X 207 -26.747 25.721 -33.996 1.00 44.09 0.073 C 1963 | ATOM 2006 CG TYR X 207 -28.007 25.612 -33.171 1.00 43.04 -0.056 A 1964 | ATOM 2007 CD1 TYR X 207 -29.263 25.646 -33.762 1.00 44.81 0.010 A 1965 | ATOM 2008 CD2 TYR X 207 -27.942 25.502 -31.788 1.00 45.66 0.010 A 1966 | ATOM 2009 CE1 TYR X 207 -30.430 25.577 -32.994 1.00 43.96 0.037 A 1967 | ATOM 2010 CE2 TYR X 207 -29.098 25.432 -31.010 1.00 45.13 0.037 A 1968 | ATOM 2011 CZ TYR X 207 -30.334 25.472 -31.624 1.00 42.39 0.065 A 1969 | ATOM 2012 OH TYR X 207 -31.468 25.423 -30.854 1.00 41.81 -0.361 OA 1970 | ATOM 2013 HH TYR X 207 -31.402 25.351 -29.909 1.00 0.00 0.217 HD 1971 | ATOM 2014 N PRO X 208 -24.374 23.524 -35.859 1.00 49.30 -0.337 N 1972 | ATOM 2015 CA PRO X 208 -23.111 23.427 -36.593 1.00 51.95 0.179 C 1973 | ATOM 2016 C PRO X 208 -22.520 24.701 -37.218 1.00 54.96 0.241 C 1974 | ATOM 2017 O PRO X 208 -21.664 25.359 -36.610 1.00 58.09 -0.271 OA 1975 | ATOM 2018 CB PRO X 208 -23.415 22.364 -37.632 1.00 51.16 0.037 C 1976 | ATOM 2019 CG PRO X 208 -24.215 21.395 -36.823 1.00 51.48 0.022 C 1977 | ATOM 2020 CD PRO X 208 -25.156 22.286 -36.025 1.00 49.67 0.127 C 1978 | ATOM 2021 N GLY X 209 -22.963 25.046 -38.423 1.00 53.17 -0.351 N 1979 | ATOM 2022 HN GLY X 209 -23.694 24.496 -38.875 1.00 0.00 0.163 HD 1980 | ATOM 2023 CA GLY X 209 -22.406 26.207 -39.097 1.00 53.33 0.225 C 1981 | ATOM 2024 C GLY X 209 -22.793 27.622 -38.681 1.00 55.34 0.236 C 1982 | ATOM 2025 O GLY X 209 -22.372 28.581 -39.338 1.00 56.05 -0.272 OA 1983 | ATOM 2026 N MET X 210 -23.573 27.786 -37.615 1.00 53.41 -0.346 N 1984 | ATOM 2027 HN MET X 210 -23.895 26.974 -37.088 1.00 0.00 0.163 HD 1985 | ATOM 2028 CA MET X 210 -23.966 29.127 -37.202 1.00 53.09 0.177 C 1986 | ATOM 2029 C MET X 210 -23.319 29.622 -35.912 1.00 53.48 0.241 C 1987 | ATOM 2030 O MET X 210 -22.675 28.861 -35.198 1.00 54.26 -0.271 OA 1988 | ATOM 2031 CB MET X 210 -25.501 29.227 -37.113 1.00 52.84 0.045 C 1989 | ATOM 2032 CG MET X 210 -26.231 27.911 -36.867 1.00 51.71 0.076 C 1990 | ATOM 2033 SD MET X 210 -27.873 27.854 -37.659 1.00 54.18 -0.173 SA 1991 | ATOM 2034 CE MET X 210 -28.764 29.075 -36.726 1.00 50.56 0.089 C 1992 | ATOM 2035 N ASN X 211 -23.481 30.910 -35.627 1.00 53.67 -0.346 N 1993 | ATOM 2036 HN ASN X 211 -24.016 31.502 -36.263 1.00 0.00 0.163 HD 1994 | ATOM 2037 CA ASN X 211 -22.908 31.488 -34.424 1.00 59.10 0.185 C 1995 | ATOM 2038 C ASN X 211 -23.976 32.053 -33.488 1.00 60.92 0.241 C 1996 | ATOM 2039 O ASN X 211 -25.073 32.393 -33.925 1.00 63.02 -0.271 OA 1997 | ATOM 2040 CB ASN X 211 -21.903 32.584 -34.796 1.00 60.68 0.137 C 1998 | ATOM 2041 CG ASN X 211 -22.513 33.676 -35.655 1.00 63.38 0.217 C 1999 | ATOM 2042 ND2 ASN X 211 -21.979 33.842 -36.857 1.00 64.82 -0.370 N 2000 | ATOM 2043 1HD2 ASN X 211 -21.203 33.274 -37.196 1.00 0.00 0.159 HD 2001 | ATOM 2044 2HD2 ASN X 211 -22.389 34.576 -37.434 1.00 0.00 0.159 HD 2002 | ATOM 2045 OD1 ASN X 211 -23.453 34.364 -35.244 1.00 64.01 -0.274 OA 2003 | ATOM 2046 N ASN X 212 -23.648 32.150 -32.201 1.00 61.33 -0.346 N 2004 | ATOM 2047 HN ASN X 212 -22.720 31.851 -31.902 1.00 0.00 0.163 HD 2005 | ATOM 2048 CA ASN X 212 -24.578 32.671 -31.208 1.00 62.49 0.185 C 2006 | ATOM 2049 C ASN X 212 -25.436 33.823 -31.737 1.00 61.72 0.241 C 2007 | ATOM 2050 O ASN X 212 -26.584 33.990 -31.330 1.00 60.59 -0.271 OA 2008 | ATOM 2051 CB ASN X 212 -23.807 33.103 -29.957 1.00 65.04 0.137 C 2009 | ATOM 2052 CG ASN X 212 -23.311 31.915 -29.135 1.00 69.59 0.217 C 2010 | ATOM 2053 ND2 ASN X 212 -23.605 31.931 -27.838 1.00 73.76 -0.370 N 2011 | ATOM 2054 1HD2 ASN X 212 -24.135 32.687 -27.404 1.00 0.00 0.159 HD 2012 | ATOM 2055 2HD2 ASN X 212 -23.274 31.138 -27.289 1.00 0.00 0.159 HD 2013 | ATOM 2056 OD1 ASN X 212 -22.670 31.000 -29.660 1.00 70.11 -0.274 OA 2014 | ATOM 2057 N ARG X 213 -24.880 34.614 -32.647 1.00 62.43 -0.346 N 2015 | ATOM 2058 HN ARG X 213 -23.923 34.429 -32.947 1.00 0.00 0.163 HD 2016 | ATOM 2059 CA ARG X 213 -25.602 35.743 -33.231 1.00 63.44 0.176 C 2017 | ATOM 2060 C ARG X 213 -26.648 35.197 -34.193 1.00 62.70 0.241 C 2018 | ATOM 2061 O ARG X 213 -27.828 35.546 -34.127 1.00 61.24 -0.271 OA 2019 | ATOM 2062 CB ARG X 213 -24.632 36.651 -34.001 1.00 66.53 0.036 C 2020 | ATOM 2063 CG ARG X 213 -25.292 37.608 -34.993 1.00 70.14 0.023 C 2021 | ATOM 2064 CD ARG X 213 -26.332 38.471 -34.314 1.00 72.78 0.138 C 2022 | ATOM 2065 NE ARG X 213 -25.796 39.083 -33.103 1.00 79.81 -0.227 N 2023 | ATOM 2066 HE ARG X 213 -26.251 38.863 -32.217 1.00 0.00 0.177 HD 2024 | ATOM 2067 CZ ARG X 213 -24.754 39.908 -33.078 1.00 82.40 0.665 C 2025 | ATOM 2068 NH1 ARG X 213 -24.329 40.413 -31.925 1.00 82.56 -0.235 N 2026 | ATOM 2069 1HH1 ARG X 213 -23.529 41.046 -31.906 1.00 0.00 0.174 HD 2027 | ATOM 2070 2HH1 ARG X 213 -24.799 40.162 -31.055 1.00 0.00 0.174 HD 2028 | ATOM 2071 NH2 ARG X 213 -24.143 40.235 -34.210 1.00 83.94 -0.235 N 2029 | ATOM 2072 1HH2 ARG X 213 -23.343 40.868 -34.191 1.00 0.00 0.174 HD 2030 | ATOM 2073 2HH2 ARG X 213 -24.469 39.847 -35.095 1.00 0.00 0.174 HD 2031 | ATOM 2074 N GLU X 214 -26.194 34.331 -35.089 1.00 60.66 -0.346 N 2032 | ATOM 2075 HN GLU X 214 -25.204 34.087 -35.082 1.00 0.00 0.163 HD 2033 | ATOM 2076 CA GLU X 214 -27.059 33.721 -36.077 1.00 58.60 0.177 C 2034 | ATOM 2077 C GLU X 214 -28.078 32.809 -35.411 1.00 56.40 0.241 C 2035 | ATOM 2078 O GLU X 214 -29.287 32.965 -35.602 1.00 54.73 -0.271 OA 2036 | ATOM 2079 CB GLU X 214 -26.221 32.924 -37.076 1.00 61.00 0.045 C 2037 | ATOM 2080 CG GLU X 214 -25.031 33.694 -37.636 1.00 62.94 0.116 C 2038 | ATOM 2081 CD GLU X 214 -24.292 32.922 -38.714 1.00 64.73 0.172 C 2039 | ATOM 2082 OE1 GLU X 214 -24.872 32.734 -39.804 1.00 66.22 -0.648 OA 2040 | ATOM 2083 OE2 GLU X 214 -23.148 32.494 -38.470 1.00 64.59 -0.648 OA 2041 | ATOM 2084 N VAL X 215 -27.588 31.858 -34.622 1.00 54.34 -0.346 N 2042 | ATOM 2085 HN VAL X 215 -26.578 31.784 -34.497 1.00 0.00 0.163 HD 2043 | ATOM 2086 CA VAL X 215 -28.461 30.923 -33.935 1.00 52.43 0.180 C 2044 | ATOM 2087 C VAL X 215 -29.601 31.631 -33.232 1.00 51.96 0.241 C 2045 | ATOM 2088 O VAL X 215 -30.680 31.069 -33.087 1.00 51.05 -0.271 OA 2046 | ATOM 2089 CB VAL X 215 -27.683 30.080 -32.919 1.00 51.96 0.009 C 2047 | ATOM 2090 CG1 VAL X 215 -28.620 29.132 -32.207 1.00 51.34 0.012 C 2048 | ATOM 2091 CG2 VAL X 215 -26.602 29.286 -33.636 1.00 54.46 0.012 C 2049 | ATOM 2092 N LEU X 216 -29.364 32.872 -32.808 1.00 53.62 -0.346 N 2050 | ATOM 2093 HN LEU X 216 -28.444 33.282 -32.972 1.00 0.00 0.163 HD 2051 | ATOM 2094 CA LEU X 216 -30.378 33.666 -32.116 1.00 51.46 0.177 C 2052 | ATOM 2095 C LEU X 216 -31.539 34.035 -33.018 1.00 52.26 0.241 C 2053 | ATOM 2096 O LEU X 216 -32.694 34.028 -32.590 1.00 51.52 -0.271 OA 2054 | ATOM 2097 CB LEU X 216 -29.768 34.946 -31.561 1.00 52.41 0.038 C 2055 | ATOM 2098 CG LEU X 216 -29.528 34.983 -30.049 1.00 54.34 -0.020 C 2056 | ATOM 2099 CD1 LEU X 216 -28.758 36.251 -29.682 1.00 55.04 0.009 C 2057 | ATOM 2100 CD2 LEU X 216 -30.863 34.928 -29.324 1.00 52.32 0.009 C 2058 | ATOM 2101 N GLU X 217 -31.236 34.354 -34.272 1.00 54.93 -0.346 N 2059 | ATOM 2102 HN GLU X 217 -30.262 34.339 -34.574 1.00 0.00 0.163 HD 2060 | ATOM 2103 CA GLU X 217 -32.276 34.724 -35.220 1.00 57.15 0.177 C 2061 | ATOM 2104 C GLU X 217 -33.038 33.541 -35.825 1.00 55.17 0.241 C 2062 | ATOM 2105 O GLU X 217 -34.261 33.588 -35.901 1.00 55.32 -0.271 OA 2063 | ATOM 2106 CB GLU X 217 -31.693 35.589 -36.340 1.00 62.90 0.045 C 2064 | ATOM 2107 CG GLU X 217 -32.756 36.234 -37.226 1.00 72.00 0.116 C 2065 | ATOM 2108 CD GLU X 217 -33.697 37.157 -36.451 1.00 77.12 0.172 C 2066 | ATOM 2109 OE1 GLU X 217 -34.644 37.697 -37.065 1.00 79.70 -0.648 OA 2067 | ATOM 2110 OE2 GLU X 217 -33.492 37.344 -35.235 1.00 80.46 -0.648 OA 2068 | ATOM 2111 N GLN X 218 -32.345 32.482 -36.249 1.00 52.23 -0.346 N 2069 | ATOM 2112 HN GLN X 218 -31.328 32.464 -36.168 1.00 0.00 0.163 HD 2070 | ATOM 2113 CA GLN X 218 -33.064 31.345 -36.832 1.00 50.75 0.177 C 2071 | ATOM 2114 C GLN X 218 -34.097 30.800 -35.863 1.00 48.29 0.241 C 2072 | ATOM 2115 O GLN X 218 -35.287 30.752 -36.175 1.00 47.93 -0.271 OA 2073 | ATOM 2116 CB GLN X 218 -32.138 30.176 -37.213 1.00 53.44 0.044 C 2074 | ATOM 2117 CG GLN X 218 -32.896 29.066 -38.009 1.00 54.63 0.105 C 2075 | ATOM 2118 CD GLN X 218 -32.530 27.605 -37.657 1.00 53.35 0.215 C 2076 | ATOM 2119 NE2 GLN X 218 -31.611 27.424 -36.715 1.00 51.82 -0.370 N 2077 | ATOM 2120 1HE2 GLN X 218 -31.157 28.203 -36.238 1.00 0.00 0.159 HD 2078 | ATOM 2121 2HE2 GLN X 218 -31.370 26.461 -36.483 1.00 0.00 0.159 HD 2079 | ATOM 2122 OE1 GLN X 218 -33.082 26.658 -38.237 1.00 49.59 -0.274 OA 2080 | ATOM 2123 N VAL X 219 -33.622 30.371 -34.697 1.00 44.65 -0.346 N 2081 | ATOM 2124 HN VAL X 219 -32.619 30.433 -34.519 1.00 0.00 0.163 HD 2082 | ATOM 2125 CA VAL X 219 -34.488 29.816 -33.666 1.00 44.77 0.180 C 2083 | ATOM 2126 C VAL X 219 -35.696 30.726 -33.466 1.00 44.54 0.241 C 2084 | ATOM 2127 O VAL X 219 -36.834 30.263 -33.434 1.00 42.61 -0.271 OA 2085 | ATOM 2128 CB VAL X 219 -33.713 29.669 -32.338 1.00 45.35 0.009 C 2086 | ATOM 2129 CG1 VAL X 219 -33.117 30.997 -31.958 1.00 51.28 0.012 C 2087 | ATOM 2130 CG2 VAL X 219 -34.628 29.180 -31.228 1.00 42.43 0.012 C 2088 | ATOM 2131 N GLU X 220 -35.433 32.021 -33.337 1.00 46.08 -0.346 N 2089 | ATOM 2132 HN GLU X 220 -34.463 32.336 -33.373 1.00 0.00 0.163 HD 2090 | ATOM 2133 CA GLU X 220 -36.490 33.005 -33.146 1.00 45.65 0.177 C 2091 | ATOM 2134 C GLU X 220 -37.538 32.879 -34.251 1.00 45.40 0.241 C 2092 | ATOM 2135 O GLU X 220 -38.705 32.574 -33.984 1.00 46.81 -0.271 OA 2093 | ATOM 2136 CB GLU X 220 -35.879 34.411 -33.147 1.00 45.56 0.045 C 2094 | ATOM 2137 CG GLU X 220 -36.753 35.493 -33.741 1.00 48.15 0.116 C 2095 | ATOM 2138 CD GLU X 220 -38.116 35.551 -33.095 1.00 49.87 0.172 C 2096 | ATOM 2139 OE1 GLU X 220 -38.165 35.546 -31.846 1.00 51.35 -0.648 OA 2097 | ATOM 2140 OE2 GLU X 220 -39.134 35.607 -33.825 1.00 48.76 -0.648 OA 2098 | ATOM 2141 N ARG X 221 -37.112 33.107 -35.489 1.00 45.15 -0.346 N 2099 | ATOM 2142 HN ARG X 221 -36.131 33.347 -35.633 1.00 0.00 0.163 HD 2100 | ATOM 2143 CA ARG X 221 -37.992 33.028 -36.649 1.00 46.56 0.176 C 2101 | ATOM 2144 C ARG X 221 -38.704 31.677 -36.743 1.00 47.65 0.240 C 2102 | ATOM 2145 O ARG X 221 -39.547 31.475 -37.621 1.00 45.94 -0.271 OA 2103 | ATOM 2146 CB ARG X 221 -37.197 33.268 -37.936 1.00 49.27 0.036 C 2104 | ATOM 2147 CG ARG X 221 -36.581 34.651 -38.062 1.00 51.22 0.023 C 2105 | ATOM 2148 CD ARG X 221 -35.742 34.736 -39.335 1.00 57.05 0.138 C 2106 | ATOM 2149 NE ARG X 221 -35.165 36.060 -39.560 1.00 59.20 -0.227 N 2107 | ATOM 2150 HE ARG X 221 -34.151 36.130 -39.646 1.00 0.00 0.177 HD 2108 | ATOM 2151 CZ ARG X 221 -35.876 37.181 -39.660 1.00 60.59 0.665 C 2109 | ATOM 2152 NH1 ARG X 221 -35.264 38.339 -39.869 1.00 61.76 -0.235 N 2110 | ATOM 2153 1HH1 ARG X 221 -34.249 38.363 -39.963 1.00 0.00 0.174 HD 2111 | ATOM 2154 2HH1 ARG X 221 -35.809 39.198 -39.946 1.00 0.00 0.174 HD 2112 | ATOM 2155 NH2 ARG X 221 -37.198 37.150 -39.537 1.00 61.92 -0.235 N 2113 | ATOM 2156 1HH2 ARG X 221 -37.669 36.259 -39.376 1.00 0.00 0.174 HD 2114 | ATOM 2157 2HH2 ARG X 221 -37.743 38.009 -39.614 1.00 0.00 0.174 HD 2115 | ATOM 2158 N GLY X 222 -38.347 30.746 -35.858 1.00 48.97 -0.351 N 2116 | ATOM 2159 HN GLY X 222 -37.611 30.949 -35.182 1.00 0.00 0.163 HD 2117 | ATOM 2160 CA GLY X 222 -38.996 29.441 -35.845 1.00 48.66 0.225 C 2118 | ATOM 2161 C GLY X 222 -38.227 28.270 -36.425 1.00 46.48 0.236 C 2119 | ATOM 2162 O GLY X 222 -38.757 27.164 -36.548 1.00 48.61 -0.272 OA 2120 | ATOM 2163 N TYR X 223 -36.972 28.489 -36.772 1.00 44.46 -0.346 N 2121 | ATOM 2164 HN TYR X 223 -36.561 29.413 -36.638 1.00 0.00 0.163 HD 2122 | ATOM 2165 CA TYR X 223 -36.175 27.417 -37.344 1.00 45.80 0.180 C 2123 | ATOM 2166 C TYR X 223 -35.367 26.665 -36.280 1.00 42.83 0.241 C 2124 | ATOM 2167 O TYR X 223 -34.681 27.266 -35.456 1.00 44.07 -0.271 OA 2125 | ATOM 2168 CB TYR X 223 -35.290 28.009 -38.448 1.00 50.69 0.073 C 2126 | ATOM 2169 CG TYR X 223 -36.102 28.684 -39.556 1.00 56.58 -0.056 A 2127 | ATOM 2170 CD1 TYR X 223 -35.481 29.330 -40.629 1.00 56.57 0.010 A 2128 | ATOM 2171 CD2 TYR X 223 -37.499 28.644 -39.544 1.00 57.47 0.010 A 2129 | ATOM 2172 CE1 TYR X 223 -36.234 29.905 -41.652 1.00 53.55 0.037 A 2130 | ATOM 2173 CE2 TYR X 223 -38.249 29.215 -40.556 1.00 53.65 0.037 A 2131 | ATOM 2174 CZ TYR X 223 -37.615 29.836 -41.599 1.00 52.54 0.065 A 2132 | ATOM 2175 OH TYR X 223 -38.383 30.373 -42.590 1.00 53.52 -0.361 OA 2133 | ATOM 2176 HH TYR X 223 -37.943 30.804 -43.314 1.00 0.00 0.217 HD 2134 | ATOM 2177 N ARG X 224 -35.487 25.343 -36.292 1.00 41.78 -0.346 N 2135 | ATOM 2178 HN ARG X 224 -36.091 24.915 -36.994 1.00 0.00 0.163 HD 2136 | ATOM 2179 CA ARG X 224 -34.791 24.470 -35.343 1.00 38.41 0.176 C 2137 | ATOM 2180 C ARG X 224 -33.739 23.642 -36.069 1.00 36.23 0.241 C 2138 | ATOM 2181 O ARG X 224 -33.467 23.869 -37.246 1.00 39.33 -0.271 OA 2139 | ATOM 2182 CB ARG X 224 -35.800 23.522 -34.681 1.00 35.60 0.036 C 2140 | ATOM 2183 CG ARG X 224 -37.030 24.226 -34.080 1.00 32.05 0.023 C 2141 | ATOM 2184 CD ARG X 224 -36.763 24.693 -32.649 1.00 29.57 0.138 C 2142 | ATOM 2185 NE ARG X 224 -37.828 25.526 -32.097 1.00 25.64 -0.227 N 2143 | ATOM 2186 HE ARG X 224 -38.505 25.082 -31.476 1.00 0.00 0.177 HD 2144 | ATOM 2187 CZ ARG X 224 -37.976 26.827 -32.349 1.00 23.17 0.665 C 2145 | ATOM 2188 NH1 ARG X 224 -38.967 27.504 -31.776 1.00 17.93 -0.235 N 2146 | ATOM 2189 1HH1 ARG X 224 -39.080 28.499 -31.969 1.00 0.00 0.174 HD 2147 | ATOM 2190 2HH1 ARG X 224 -39.613 27.023 -31.150 1.00 0.00 0.174 HD 2148 | ATOM 2191 NH2 ARG X 224 -37.130 27.456 -33.168 1.00 17.84 -0.235 N 2149 | ATOM 2192 1HH2 ARG X 224 -37.243 28.451 -33.361 1.00 0.00 0.174 HD 2150 | ATOM 2193 2HH2 ARG X 224 -36.370 26.937 -33.607 1.00 0.00 0.174 HD 2151 | ATOM 2194 N MET X 225 -33.146 22.684 -35.370 1.00 37.15 -0.346 N 2152 | ATOM 2195 HN MET X 225 -33.406 22.540 -34.394 1.00 0.00 0.163 HD 2153 | ATOM 2196 CA MET X 225 -32.125 21.831 -35.978 1.00 37.35 0.177 C 2154 | ATOM 2197 C MET X 225 -32.807 20.645 -36.661 1.00 38.77 0.243 C 2155 | ATOM 2198 O MET X 225 -33.914 20.238 -36.275 1.00 37.11 -0.271 OA 2156 | ATOM 2199 CB MET X 225 -31.146 21.302 -34.930 1.00 35.55 0.045 C 2157 | ATOM 2200 CG MET X 225 -30.142 22.304 -34.388 1.00 35.49 0.076 C 2158 | ATOM 2201 SD MET X 225 -28.913 21.447 -33.311 1.00 37.38 -0.173 SA 2159 | ATOM 2202 CE MET X 225 -29.610 21.776 -31.682 1.00 33.16 0.089 C 2160 | ATOM 2203 N PRO X 226 -32.160 20.076 -37.694 1.00 37.57 -0.337 N 2161 | ATOM 2204 CA PRO X 226 -32.718 18.938 -38.418 1.00 35.86 0.179 C 2162 | ATOM 2205 C PRO X 226 -32.241 17.635 -37.803 1.00 37.09 0.241 C 2163 | ATOM 2206 O PRO X 226 -31.223 17.601 -37.114 1.00 35.98 -0.271 OA 2164 | ATOM 2207 CB PRO X 226 -32.168 19.130 -39.811 1.00 32.61 0.037 C 2165 | ATOM 2208 CG PRO X 226 -30.794 19.584 -39.519 1.00 35.20 0.022 C 2166 | ATOM 2209 CD PRO X 226 -30.991 20.609 -38.414 1.00 35.88 0.127 C 2167 | ATOM 2210 N CYS X 227 -32.987 16.570 -38.066 1.00 40.66 -0.345 N 2168 | ATOM 2211 HN CYS X 227 -33.816 16.680 -38.650 1.00 0.00 0.163 HD 2169 | ATOM 2212 CA CYS X 227 -32.662 15.252 -37.550 1.00 44.36 0.186 C 2170 | ATOM 2213 C CYS X 227 -31.198 14.901 -37.807 1.00 48.67 0.244 C 2171 | ATOM 2214 O CYS X 227 -30.759 14.802 -38.950 1.00 50.59 -0.271 OA 2172 | ATOM 2215 CB CYS X 227 -33.571 14.216 -38.200 1.00 39.51 0.120 C 2173 | ATOM 2216 SG CYS X 227 -33.160 12.527 -37.781 1.00 37.41 -0.095 SA 2174 | ATOM 2217 N PRO X 228 -30.417 14.717 -36.737 1.00 53.26 -0.337 N 2175 | ATOM 2218 CA PRO X 228 -29.001 14.376 -36.903 1.00 56.40 0.179 C 2176 | ATOM 2219 C PRO X 228 -28.855 13.019 -37.581 1.00 58.27 0.241 C 2177 | ATOM 2220 O PRO X 228 -29.785 12.214 -37.563 1.00 63.05 -0.271 OA 2178 | ATOM 2221 CB PRO X 228 -28.475 14.366 -35.465 1.00 56.16 0.037 C 2179 | ATOM 2222 CG PRO X 228 -29.366 15.373 -34.777 1.00 57.64 0.022 C 2180 | ATOM 2223 CD PRO X 228 -30.726 15.000 -35.327 1.00 56.93 0.127 C 2181 | ATOM 2224 N GLN X 229 -27.698 12.767 -38.179 1.00 58.60 -0.346 N 2182 | ATOM 2225 HN GLN X 229 -26.963 13.474 -38.165 1.00 0.00 0.163 HD 2183 | ATOM 2226 CA GLN X 229 -27.459 11.501 -38.854 1.00 59.41 0.177 C 2184 | ATOM 2227 C GLN X 229 -27.696 10.305 -37.954 1.00 58.43 0.241 C 2185 | ATOM 2228 O GLN X 229 -27.731 10.424 -36.730 1.00 60.63 -0.271 OA 2186 | ATOM 2229 CB GLN X 229 -26.026 11.426 -39.378 1.00 63.10 0.044 C 2187 | ATOM 2230 CG GLN X 229 -25.821 12.032 -40.745 1.00 64.10 0.105 C 2188 | ATOM 2231 CD GLN X 229 -24.731 11.317 -41.519 1.00 64.43 0.215 C 2189 | ATOM 2232 NE2 GLN X 229 -25.060 10.866 -42.719 1.00 65.98 -0.370 N 2190 | ATOM 2233 1HE2 GLN X 229 -25.992 10.989 -43.114 1.00 0.00 0.159 HD 2191 | ATOM 2234 2HE2 GLN X 229 -24.327 10.385 -43.240 1.00 0.00 0.159 HD 2192 | ATOM 2235 OE1 GLN X 229 -23.606 11.169 -41.042 1.00 63.72 -0.274 OA 2193 | ATOM 2236 N ASP X 230 -27.833 9.142 -38.577 1.00 56.76 -0.346 N 2194 | ATOM 2237 HN ASP X 230 -27.774 9.117 -39.595 1.00 0.00 0.163 HD 2195 | ATOM 2238 CA ASP X 230 -28.065 7.900 -37.855 1.00 54.07 0.186 C 2196 | ATOM 2239 C ASP X 230 -28.817 8.186 -36.554 1.00 51.38 0.241 C 2197 | ATOM 2240 O ASP X 230 -28.483 7.656 -35.497 1.00 51.59 -0.271 OA 2198 | ATOM 2241 CB ASP X 230 -26.730 7.204 -37.572 1.00 58.99 0.147 C 2199 | ATOM 2242 CG ASP X 230 -26.886 5.704 -37.349 1.00 63.57 0.175 C 2200 | ATOM 2243 OD1 ASP X 230 -27.567 5.039 -38.163 1.00 63.96 -0.648 OA 2201 | ATOM 2244 OD2 ASP X 230 -26.314 5.186 -36.364 1.00 67.80 -0.648 OA 2202 | ATOM 2245 N CYS X 231 -29.825 9.051 -36.645 1.00 47.18 -0.345 N 2203 | ATOM 2246 HN CYS X 231 -30.033 9.470 -37.551 1.00 0.00 0.163 HD 2204 | ATOM 2247 CA CYS X 231 -30.640 9.419 -35.499 1.00 41.51 0.186 C 2205 | ATOM 2248 C CYS X 231 -32.097 9.229 -35.880 1.00 38.05 0.244 C 2206 | ATOM 2249 O CYS X 231 -32.604 9.873 -36.794 1.00 34.31 -0.271 OA 2207 | ATOM 2250 CB CYS X 231 -30.407 10.878 -35.092 1.00 40.49 0.120 C 2208 | ATOM 2251 SG CYS X 231 -31.572 11.499 -33.805 1.00 40.56 -0.095 SA 2209 | ATOM 2252 N PRO X 232 -32.789 8.321 -35.181 1.00 35.48 -0.337 N 2210 | ATOM 2253 CA PRO X 232 -34.203 8.055 -35.458 1.00 33.86 0.179 C 2211 | ATOM 2254 C PRO X 232 -35.014 9.342 -35.588 1.00 34.49 0.241 C 2212 | ATOM 2255 O PRO X 232 -34.668 10.369 -35.004 1.00 36.51 -0.271 OA 2213 | ATOM 2256 CB PRO X 232 -34.629 7.230 -34.255 1.00 30.38 0.037 C 2214 | ATOM 2257 CG PRO X 232 -33.396 6.471 -33.932 1.00 30.21 0.022 C 2215 | ATOM 2258 CD PRO X 232 -32.304 7.498 -34.060 1.00 31.38 0.127 C 2216 | ATOM 2259 N ILE X 233 -36.073 9.299 -36.384 1.00 37.76 -0.346 N 2217 | ATOM 2260 HN ILE X 233 -36.303 8.437 -36.878 1.00 0.00 0.163 HD 2218 | ATOM 2261 CA ILE X 233 -36.910 10.478 -36.556 1.00 38.42 0.180 C 2219 | ATOM 2262 C ILE X 233 -37.704 10.471 -35.267 1.00 36.90 0.241 C 2220 | ATOM 2263 O ILE X 233 -38.064 11.520 -34.732 1.00 36.62 -0.271 OA 2221 | ATOM 2264 CB ILE X 233 -37.866 10.333 -37.765 1.00 39.75 0.013 C 2222 | ATOM 2265 CG1 ILE X 233 -37.115 10.584 -39.072 1.00 40.69 0.002 C 2223 | ATOM 2266 CG2 ILE X 233 -38.999 11.337 -37.652 1.00 40.05 0.012 C 2224 | ATOM 2267 CD1 ILE X 233 -35.765 9.908 -39.149 1.00 45.44 0.005 C 2225 | ATOM 2268 N SER X 234 -37.933 9.256 -34.773 1.00 37.00 -0.344 N 2226 | ATOM 2269 HN SER X 234 -37.570 8.454 -35.288 1.00 0.00 0.163 HD 2227 | ATOM 2270 CA SER X 234 -38.672 9.000 -33.540 1.00 40.70 0.200 C 2228 | ATOM 2271 C SER X 234 -38.274 9.954 -32.420 1.00 42.16 0.243 C 2229 | ATOM 2272 O SER X 234 -39.126 10.670 -31.870 1.00 42.58 -0.271 OA 2230 | ATOM 2273 CB SER X 234 -38.427 7.568 -33.071 1.00 42.54 0.199 C 2231 | ATOM 2274 OG SER X 234 -38.629 6.650 -34.125 1.00 49.69 -0.398 OA 2232 | ATOM 2275 HG SER X 234 -38.477 5.759 -33.833 1.00 0.00 0.209 HD 2233 | ATOM 2276 N LEU X 235 -36.986 9.957 -32.067 1.00 39.31 -0.346 N 2234 | ATOM 2277 HN LEU X 235 -36.324 9.342 -32.540 1.00 0.00 0.163 HD 2235 | ATOM 2278 CA LEU X 235 -36.531 10.844 -31.002 1.00 39.78 0.177 C 2236 | ATOM 2279 C LEU X 235 -36.115 12.238 -31.484 1.00 37.11 0.241 C 2237 | ATOM 2280 O LEU X 235 -35.701 13.081 -30.687 1.00 33.69 -0.271 OA 2238 | ATOM 2281 CB LEU X 235 -35.430 10.187 -30.153 1.00 38.65 0.038 C 2239 | ATOM 2282 CG LEU X 235 -34.087 9.773 -30.724 1.00 35.71 -0.020 C 2240 | ATOM 2283 CD1 LEU X 235 -33.475 10.929 -31.476 1.00 39.87 0.009 C 2241 | ATOM 2284 CD2 LEU X 235 -33.194 9.335 -29.587 1.00 33.22 0.009 C 2242 | ATOM 2285 N HIS X 236 -36.204 12.491 -32.789 1.00 35.94 -0.346 N 2243 | ATOM 2286 HN HIS X 236 -36.520 11.770 -33.437 1.00 0.00 0.163 HD 2244 | ATOM 2287 CA HIS X 236 -35.843 13.814 -33.272 1.00 32.88 0.182 C 2245 | ATOM 2288 C HIS X 236 -37.161 14.568 -33.089 1.00 33.30 0.241 C 2246 | ATOM 2289 O HIS X 236 -37.192 15.787 -32.934 1.00 32.47 -0.271 OA 2247 | ATOM 2290 CB HIS X 236 -35.458 13.826 -34.749 1.00 29.92 0.093 C 2248 | ATOM 2291 CG HIS X 236 -35.355 15.213 -35.313 1.00 29.21 0.028 A 2249 | ATOM 2292 CD2 HIS X 236 -34.757 16.326 -34.826 1.00 28.01 0.114 A 2250 | ATOM 2293 ND1 HIS X 236 -35.954 15.589 -36.499 1.00 26.02 -0.354 N 2251 | ATOM 2294 HD1 HIS X 236 -36.488 14.973 -37.112 1.00 0.00 0.166 HD 2252 | ATOM 2295 CE1 HIS X 236 -35.726 16.873 -36.715 1.00 27.34 0.180 A 2253 | ATOM 2296 NE2 HIS X 236 -35.003 17.347 -35.718 1.00 24.62 -0.360 N 2254 | ATOM 2297 HE2 HIS X 236 -34.680 18.310 -35.623 1.00 0.00 0.166 HD 2255 | ATOM 2298 N GLU X 237 -38.259 13.816 -33.130 1.00 33.75 -0.346 N 2256 | ATOM 2299 HN GLU X 237 -38.165 12.812 -33.282 1.00 0.00 0.163 HD 2257 | ATOM 2300 CA GLU X 237 -39.588 14.382 -32.965 1.00 39.09 0.177 C 2258 | ATOM 2301 C GLU X 237 -39.694 14.740 -31.487 1.00 39.71 0.241 C 2259 | ATOM 2302 O GLU X 237 -40.490 15.590 -31.086 1.00 38.23 -0.271 OA 2260 | ATOM 2303 CB GLU X 237 -40.664 13.356 -33.325 1.00 45.31 0.045 C 2261 | ATOM 2304 CG GLU X 237 -40.881 13.155 -34.821 1.00 52.08 0.116 C 2262 | ATOM 2305 CD GLU X 237 -41.220 14.452 -35.539 1.00 58.74 0.172 C 2263 | ATOM 2306 OE1 GLU X 237 -42.076 15.215 -35.027 1.00 63.97 -0.648 OA 2264 | ATOM 2307 OE2 GLU X 237 -40.639 14.705 -36.617 1.00 56.28 -0.648 OA 2265 | ATOM 2308 N LEU X 238 -38.877 14.054 -30.688 1.00 37.41 -0.346 N 2266 | ATOM 2309 HN LEU X 238 -38.261 13.356 -31.104 1.00 0.00 0.163 HD 2267 | ATOM 2310 CA LEU X 238 -38.826 14.258 -29.249 1.00 33.09 0.177 C 2268 | ATOM 2311 C LEU X 238 -38.096 15.566 -29.030 1.00 31.05 0.241 C 2269 | ATOM 2312 O LEU X 238 -38.434 16.349 -28.139 1.00 30.62 -0.271 OA 2270 | ATOM 2313 CB LEU X 238 -38.044 13.136 -28.575 1.00 32.08 0.038 C 2271 | ATOM 2314 CG LEU X 238 -37.811 13.342 -27.068 1.00 28.96 -0.020 C 2272 | ATOM 2315 CD1 LEU X 238 -39.169 13.343 -26.355 1.00 23.46 0.009 C 2273 | ATOM 2316 CD2 LEU X 238 -36.916 12.240 -26.508 1.00 21.25 0.009 C 2274 | ATOM 2317 N MET X 239 -37.079 15.789 -29.857 1.00 31.07 -0.346 N 2275 | ATOM 2318 HN MET X 239 -36.857 15.088 -30.564 1.00 0.00 0.163 HD 2276 | ATOM 2319 CA MET X 239 -36.270 16.998 -29.791 1.00 31.62 0.177 C 2277 | ATOM 2320 C MET X 239 -37.081 18.208 -30.230 1.00 30.78 0.241 C 2278 | ATOM 2321 O MET X 239 -37.006 19.247 -29.596 1.00 32.98 -0.271 OA 2279 | ATOM 2322 CB MET X 239 -35.028 16.856 -30.684 1.00 34.50 0.045 C 2280 | ATOM 2323 CG MET X 239 -34.020 15.818 -30.203 1.00 36.84 0.076 C 2281 | ATOM 2324 SD MET X 239 -32.959 15.148 -31.514 1.00 42.27 -0.173 SA 2282 | ATOM 2325 CE MET X 239 -31.501 16.108 -31.343 1.00 42.57 0.089 C 2283 | ATOM 2326 N ILE X 240 -37.862 18.077 -31.303 1.00 30.38 -0.346 N 2284 | ATOM 2327 HN ILE X 240 -37.903 17.184 -31.794 1.00 0.00 0.163 HD 2285 | ATOM 2328 CA ILE X 240 -38.662 19.207 -31.781 1.00 32.44 0.180 C 2286 | ATOM 2329 C ILE X 240 -39.772 19.453 -30.803 1.00 29.44 0.241 C 2287 | ATOM 2330 O ILE X 240 -40.393 20.512 -30.806 1.00 32.50 -0.271 OA 2288 | ATOM 2331 CB ILE X 240 -39.332 18.958 -33.166 1.00 34.57 0.013 C 2289 | ATOM 2332 CG1 ILE X 240 -40.438 17.910 -33.016 1.00 40.63 0.002 C 2290 | ATOM 2333 CG2 ILE X 240 -38.294 18.538 -34.192 1.00 33.20 0.012 C 2291 | ATOM 2334 CD1 ILE X 240 -41.339 17.787 -34.224 1.00 39.57 0.005 C 2292 | ATOM 2335 N HIS X 241 -40.039 18.450 -29.987 1.00 28.75 -0.346 N 2293 | ATOM 2336 HN HIS X 241 -39.501 17.586 -30.060 1.00 0.00 0.163 HD 2294 | ATOM 2337 CA HIS X 241 -41.084 18.557 -28.989 1.00 29.99 0.182 C 2295 | ATOM 2338 C HIS X 241 -40.501 19.451 -27.899 1.00 31.73 0.241 C 2296 | ATOM 2339 O HIS X 241 -41.172 20.352 -27.394 1.00 32.28 -0.271 OA 2297 | ATOM 2340 CB HIS X 241 -41.410 17.166 -28.446 1.00 34.50 0.093 C 2298 | ATOM 2341 CG HIS X 241 -42.668 17.113 -27.643 1.00 41.35 0.028 A 2299 | ATOM 2342 CD2 HIS X 241 -43.524 18.093 -27.270 1.00 42.39 0.114 A 2300 | ATOM 2343 ND1 HIS X 241 -43.164 15.942 -27.111 1.00 44.99 -0.354 N 2301 | ATOM 2344 HD1 HIS X 241 -42.741 15.020 -27.218 1.00 0.00 0.166 HD 2302 | ATOM 2345 CE1 HIS X 241 -44.275 16.201 -26.440 1.00 44.45 0.180 A 2303 | ATOM 2346 NE2 HIS X 241 -44.513 17.497 -26.522 1.00 45.31 -0.360 N 2304 | ATOM 2347 HE2 HIS X 241 -45.305 17.980 -26.098 1.00 0.00 0.166 HD 2305 | ATOM 2348 N CYS X 242 -39.231 19.206 -27.565 1.00 31.41 -0.345 N 2306 | ATOM 2349 HN CYS X 242 -38.731 18.454 -28.039 1.00 0.00 0.163 HD 2307 | ATOM 2350 CA CYS X 242 -38.542 19.978 -26.548 1.00 29.81 0.186 C 2308 | ATOM 2351 C CYS X 242 -38.203 21.393 -27.000 1.00 30.00 0.242 C 2309 | ATOM 2352 O CYS X 242 -37.839 22.229 -26.177 1.00 29.72 -0.271 OA 2310 | ATOM 2353 CB CYS X 242 -37.239 19.285 -26.142 1.00 31.26 0.120 C 2311 | ATOM 2354 SG CYS X 242 -37.423 17.736 -25.228 1.00 26.94 -0.095 SA 2312 | ATOM 2355 N TRP X 243 -38.320 21.664 -28.293 1.00 29.99 -0.346 N 2313 | ATOM 2356 HN TRP X 243 -38.633 20.934 -28.933 1.00 0.00 0.163 HD 2314 | ATOM 2357 CA TRP X 243 -38.006 22.996 -28.814 1.00 33.61 0.181 C 2315 | ATOM 2358 C TRP X 243 -39.193 23.854 -29.243 1.00 37.34 0.241 C 2316 | ATOM 2359 O TRP X 243 -39.043 24.753 -30.080 1.00 36.40 -0.271 OA 2317 | ATOM 2360 CB TRP X 243 -37.025 22.891 -29.986 1.00 30.40 0.075 C 2318 | ATOM 2361 CG TRP X 243 -35.733 22.249 -29.605 1.00 31.59 -0.028 A 2319 | ATOM 2362 CD1 TRP X 243 -35.095 22.361 -28.409 1.00 31.66 0.096 A 2320 | ATOM 2363 CD2 TRP X 243 -34.920 21.394 -30.413 1.00 30.56 -0.002 A 2321 | ATOM 2364 CE2 TRP X 243 -33.805 21.024 -29.645 1.00 28.22 0.042 A 2322 | ATOM 2365 CE3 TRP X 243 -35.024 20.901 -31.721 1.00 32.86 0.014 A 2323 | ATOM 2366 NE1 TRP X 243 -33.933 21.629 -28.421 1.00 32.32 -0.365 N 2324 | ATOM 2367 HE1 TRP X 243 -33.274 21.549 -27.647 1.00 0.00 0.165 HD 2325 | ATOM 2368 CZ2 TRP X 243 -32.802 20.191 -30.121 1.00 29.74 0.030 A 2326 | ATOM 2369 CZ3 TRP X 243 -34.020 20.068 -32.210 1.00 28.46 0.001 A 2327 | ATOM 2370 CH2 TRP X 243 -32.925 19.723 -31.413 1.00 30.88 0.002 A 2328 | ATOM 2371 N LYS X 244 -40.363 23.592 -28.671 1.00 39.81 -0.346 N 2329 | ATOM 2372 HN LYS X 244 -40.421 22.841 -27.983 1.00 0.00 0.163 HD 2330 | ATOM 2373 CA LYS X 244 -41.573 24.351 -29.000 1.00 43.30 0.176 C 2331 | ATOM 2374 C LYS X 244 -41.464 25.804 -28.505 1.00 42.79 0.241 C 2332 | ATOM 2375 O LYS X 244 -40.854 26.050 -27.479 1.00 45.49 -0.271 OA 2333 | ATOM 2376 CB LYS X 244 -42.766 23.663 -28.342 1.00 47.07 0.035 C 2334 | ATOM 2377 CG LYS X 244 -44.079 23.879 -29.051 1.00 52.58 0.004 C 2335 | ATOM 2378 CD LYS X 244 -44.043 23.275 -30.446 1.00 54.41 0.027 C 2336 | ATOM 2379 CE LYS X 244 -43.532 21.848 -30.408 1.00 54.38 0.229 C 2337 | ATOM 2380 NZ LYS X 244 -44.295 21.013 -29.444 1.00 57.68 -0.079 N 2338 | ATOM 2381 HZ1 LYS X 244 -43.951 20.053 -29.418 1.00 0.00 0.274 HD 2339 | ATOM 2382 HZ2 LYS X 244 -45.296 21.044 -29.638 1.00 0.00 0.274 HD 2340 | ATOM 2383 HZ3 LYS X 244 -44.299 21.431 -28.513 1.00 0.00 0.274 HD 2341 | ATOM 2384 N LYS X 245 -42.047 26.760 -29.224 1.00 45.77 -0.346 N 2342 | ATOM 2385 HN LYS X 245 -42.548 26.512 -30.077 1.00 0.00 0.163 HD 2343 | ATOM 2386 CA LYS X 245 -41.979 28.169 -28.806 1.00 47.75 0.176 C 2344 | ATOM 2387 C LYS X 245 -42.678 28.398 -27.477 1.00 47.65 0.241 C 2345 | ATOM 2388 O LYS X 245 -42.115 29.034 -26.588 1.00 50.46 -0.271 OA 2346 | ATOM 2389 CB LYS X 245 -42.565 29.110 -29.870 1.00 48.74 0.035 C 2347 | ATOM 2390 CG LYS X 245 -41.788 29.078 -31.181 1.00 57.06 0.004 C 2348 | ATOM 2391 CD LYS X 245 -42.108 30.249 -32.118 1.00 63.57 0.027 C 2349 | ATOM 2392 CE LYS X 245 -41.552 31.571 -31.594 1.00 66.88 0.229 C 2350 | ATOM 2393 NZ LYS X 245 -41.462 32.624 -32.652 1.00 66.81 -0.079 N 2351 | ATOM 2394 HZ1 LYS X 245 -41.091 33.507 -32.302 1.00 0.00 0.274 HD 2352 | ATOM 2395 HZ2 LYS X 245 -42.364 32.762 -33.107 1.00 0.00 0.274 HD 2353 | ATOM 2396 HZ3 LYS X 245 -40.922 32.293 -33.452 1.00 0.00 0.274 HD 2354 | ATOM 2397 N ASP X 246 -43.901 27.894 -27.336 1.00 47.80 -0.346 N 2355 | ATOM 2398 HN ASP X 246 -44.326 27.387 -28.112 1.00 0.00 0.163 HD 2356 | ATOM 2399 CA ASP X 246 -44.648 28.053 -26.088 1.00 46.16 0.186 C 2357 | ATOM 2400 C ASP X 246 -44.125 26.989 -25.125 1.00 43.92 0.243 C 2358 | ATOM 2401 O ASP X 246 -44.193 25.792 -25.415 1.00 45.28 -0.271 OA 2359 | ATOM 2402 CB ASP X 246 -46.149 27.843 -26.328 1.00 50.70 0.147 C 2360 | ATOM 2403 CG ASP X 246 -46.983 27.948 -25.044 1.00 57.61 0.175 C 2361 | ATOM 2404 OD1 ASP X 246 -48.188 27.603 -25.084 1.00 59.95 -0.648 OA 2362 | ATOM 2405 OD2 ASP X 246 -46.451 28.379 -23.995 1.00 59.62 -0.648 OA 2363 | ATOM 2406 N PRO X 247 -43.575 27.404 -23.975 1.00 40.48 -0.337 N 2364 | ATOM 2407 CA PRO X 247 -43.038 26.474 -22.976 1.00 41.17 0.179 C 2365 | ATOM 2408 C PRO X 247 -44.087 25.529 -22.399 1.00 43.23 0.241 C 2366 | ATOM 2409 O PRO X 247 -43.774 24.406 -22.002 1.00 43.81 -0.271 OA 2367 | ATOM 2410 CB PRO X 247 -42.451 27.411 -21.921 1.00 38.93 0.037 C 2368 | ATOM 2411 CG PRO X 247 -42.054 28.596 -22.718 1.00 35.34 0.022 C 2369 | ATOM 2412 CD PRO X 247 -43.238 28.785 -23.616 1.00 34.65 0.127 C 2370 | ATOM 2413 N GLU X 248 -45.330 25.992 -22.342 1.00 43.73 -0.346 N 2371 | ATOM 2414 HN GLU X 248 -45.533 26.935 -22.675 1.00 0.00 0.163 HD 2372 | ATOM 2415 CA GLU X 248 -46.407 25.170 -21.810 1.00 47.09 0.177 C 2373 | ATOM 2416 C GLU X 248 -46.641 24.018 -22.761 1.00 45.74 0.241 C 2374 | ATOM 2417 O GLU X 248 -47.076 22.933 -22.362 1.00 47.10 -0.271 OA 2375 | ATOM 2418 CB GLU X 248 -47.682 26.007 -21.665 1.00 51.29 0.045 C 2376 | ATOM 2419 CG GLU X 248 -47.918 26.488 -20.241 1.00 61.68 0.116 C 2377 | ATOM 2420 CD GLU X 248 -46.629 26.909 -19.546 1.00 65.31 0.172 C 2378 | ATOM 2421 OE1 GLU X 248 -45.966 27.847 -20.041 1.00 66.71 -0.648 OA 2379 | ATOM 2422 OE2 GLU X 248 -46.280 26.295 -18.511 1.00 67.53 -0.648 OA 2380 | ATOM 2423 N GLU X 249 -46.302 24.260 -24.020 1.00 40.82 -0.346 N 2381 | ATOM 2424 HN GLU X 249 -45.914 25.174 -24.253 1.00 0.00 0.163 HD 2382 | ATOM 2425 CA GLU X 249 -46.458 23.283 -25.082 1.00 39.52 0.177 C 2383 | ATOM 2426 C GLU X 249 -45.321 22.253 -25.107 1.00 35.88 0.241 C 2384 | ATOM 2427 O GLU X 249 -45.393 21.263 -25.830 1.00 39.12 -0.271 OA 2385 | ATOM 2428 CB GLU X 249 -46.535 24.036 -26.412 1.00 43.44 0.045 C 2386 | ATOM 2429 CG GLU X 249 -47.349 23.367 -27.494 1.00 52.71 0.116 C 2387 | ATOM 2430 CD GLU X 249 -47.684 24.311 -28.648 1.00 58.20 0.172 C 2388 | ATOM 2431 OE1 GLU X 249 -46.752 24.817 -29.316 1.00 61.08 -0.648 OA 2389 | ATOM 2432 OE2 GLU X 249 -48.890 24.555 -28.880 1.00 61.73 -0.648 OA 2390 | ATOM 2433 N ARG X 250 -44.268 22.484 -24.324 1.00 30.84 -0.346 N 2391 | ATOM 2434 HN ARG X 250 -44.252 23.326 -23.748 1.00 0.00 0.163 HD 2392 | ATOM 2435 CA ARG X 250 -43.132 21.559 -24.269 1.00 23.96 0.176 C 2393 | ATOM 2436 C ARG X 250 -43.432 20.514 -23.208 1.00 23.94 0.243 C 2394 | ATOM 2437 O ARG X 250 -44.064 20.816 -22.201 1.00 28.58 -0.271 OA 2395 | ATOM 2438 CB ARG X 250 -41.854 22.305 -23.920 1.00 24.47 0.036 C 2396 | ATOM 2439 CG ARG X 250 -41.538 23.435 -24.898 1.00 24.22 0.023 C 2397 | ATOM 2440 CD ARG X 250 -40.052 23.759 -24.934 1.00 20.36 0.138 C 2398 | ATOM 2441 NE ARG X 250 -39.684 24.858 -24.051 1.00 23.07 -0.227 N 2399 | ATOM 2442 HE ARG X 250 -39.583 24.652 -23.057 1.00 0.00 0.177 HD 2400 | ATOM 2443 CZ ARG X 250 -39.470 26.113 -24.447 1.00 22.45 0.665 C 2401 | ATOM 2444 NH1 ARG X 250 -39.149 27.040 -23.562 1.00 23.14 -0.235 N 2402 | ATOM 2445 1HH1 ARG X 250 -38.985 28.000 -23.865 1.00 0.00 0.174 HD 2403 | ATOM 2446 2HH1 ARG X 250 -39.080 26.781 -22.578 1.00 0.00 0.174 HD 2404 | ATOM 2447 NH2 ARG X 250 -39.560 26.450 -25.729 1.00 19.46 -0.235 N 2405 | ATOM 2448 1HH2 ARG X 250 -39.396 27.410 -26.032 1.00 0.00 0.174 HD 2406 | ATOM 2449 2HH2 ARG X 250 -39.808 25.734 -26.412 1.00 0.00 0.174 HD 2407 | ATOM 2450 N PRO X 251 -42.970 19.273 -23.406 1.00 22.31 -0.337 N 2408 | ATOM 2451 CA PRO X 251 -43.228 18.201 -22.440 1.00 20.51 0.179 C 2409 | ATOM 2452 C PRO X 251 -42.635 18.387 -21.042 1.00 20.40 0.241 C 2410 | ATOM 2453 O PRO X 251 -41.900 19.342 -20.772 1.00 21.93 -0.271 OA 2411 | ATOM 2454 CB PRO X 251 -42.683 16.961 -23.147 1.00 17.19 0.037 C 2412 | ATOM 2455 CG PRO X 251 -41.528 17.493 -23.900 1.00 17.29 0.022 C 2413 | ATOM 2456 CD PRO X 251 -42.057 18.814 -24.466 1.00 22.94 0.127 C 2414 | ATOM 2457 N THR X 252 -42.980 17.483 -20.134 1.00 20.86 -0.344 N 2415 | ATOM 2458 HN THR X 252 -43.611 16.722 -20.384 1.00 0.00 0.163 HD 2416 | ATOM 2459 CA THR X 252 -42.458 17.580 -18.786 1.00 21.25 0.205 C 2417 | ATOM 2460 C THR X 252 -41.393 16.504 -18.689 1.00 22.17 0.243 C 2418 | ATOM 2461 O THR X 252 -41.433 15.540 -19.451 1.00 25.30 -0.271 OA 2419 | ATOM 2462 CB THR X 252 -43.567 17.340 -17.760 1.00 21.39 0.146 C 2420 | ATOM 2463 CG2 THR X 252 -44.682 18.377 -17.951 1.00 21.84 0.042 C 2421 | ATOM 2464 OG1 THR X 252 -44.104 16.020 -17.940 1.00 25.41 -0.393 OA 2422 | ATOM 2465 HG1 THR X 252 -43.414 15.378 -17.822 1.00 0.00 0.210 HD 2423 | ATOM 2466 N PHE X 253 -40.431 16.663 -17.782 1.00 22.22 -0.346 N 2424 | ATOM 2467 HN PHE X 253 -40.433 17.487 -17.181 1.00 0.00 0.163 HD 2425 | ATOM 2468 CA PHE X 253 -39.381 15.674 -17.643 1.00 23.66 0.180 C 2426 | ATOM 2469 C PHE X 253 -39.928 14.343 -17.199 1.00 25.82 0.241 C 2427 | ATOM 2470 O PHE X 253 -39.288 13.307 -17.407 1.00 24.76 -0.271 OA 2428 | ATOM 2471 CB PHE X 253 -38.296 16.154 -16.680 1.00 27.68 0.073 C 2429 | ATOM 2472 CG PHE X 253 -37.305 17.086 -17.311 1.00 29.26 -0.056 A 2430 | ATOM 2473 CD1 PHE X 253 -36.695 16.751 -18.513 1.00 30.58 0.007 A 2431 | ATOM 2474 CD2 PHE X 253 -37.009 18.302 -16.731 1.00 29.62 0.007 A 2432 | ATOM 2475 CE1 PHE X 253 -35.810 17.613 -19.132 1.00 30.24 0.001 A 2433 | ATOM 2476 CE2 PHE X 253 -36.123 19.176 -17.340 1.00 31.30 0.001 A 2434 | ATOM 2477 CZ PHE X 253 -35.522 18.831 -18.547 1.00 30.80 0.000 A 2435 | ATOM 2478 N GLU X 254 -41.102 14.356 -16.576 1.00 28.77 -0.346 N 2436 | ATOM 2479 HN GLU X 254 -41.584 15.240 -16.413 1.00 0.00 0.163 HD 2437 | ATOM 2480 CA GLU X 254 -41.699 13.106 -16.127 1.00 31.91 0.177 C 2438 | ATOM 2481 C GLU X 254 -41.932 12.355 -17.412 1.00 30.56 0.241 C 2439 | ATOM 2482 O GLU X 254 -41.412 11.258 -17.601 1.00 28.56 -0.271 OA 2440 | ATOM 2483 CB GLU X 254 -43.028 13.357 -15.412 1.00 37.14 0.045 C 2441 | ATOM 2484 CG GLU X 254 -42.896 13.581 -13.918 1.00 49.31 0.116 C 2442 | ATOM 2485 CD GLU X 254 -42.395 12.337 -13.191 1.00 56.45 0.172 C 2443 | ATOM 2486 OE1 GLU X 254 -42.987 11.254 -13.416 1.00 62.46 -0.648 OA 2444 | ATOM 2487 OE2 GLU X 254 -41.426 12.434 -12.392 1.00 55.96 -0.648 OA 2445 | ATOM 2488 N TYR X 255 -42.701 12.977 -18.306 1.00 29.66 -0.346 N 2446 | ATOM 2489 HN TYR X 255 -43.081 13.896 -18.077 1.00 0.00 0.163 HD 2447 | ATOM 2490 CA TYR X 255 -43.016 12.384 -19.602 1.00 31.85 0.180 C 2448 | ATOM 2491 C TYR X 255 -41.715 11.945 -20.260 1.00 30.18 0.241 C 2449 | ATOM 2492 O TYR X 255 -41.524 10.781 -20.584 1.00 32.89 -0.271 OA 2450 | ATOM 2493 CB TYR X 255 -43.716 13.403 -20.501 1.00 35.90 0.073 C 2451 | ATOM 2494 CG TYR X 255 -43.824 12.965 -21.952 1.00 39.11 -0.056 A 2452 | ATOM 2495 CD1 TYR X 255 -42.719 13.027 -22.805 1.00 40.55 0.010 A 2453 | ATOM 2496 CD2 TYR X 255 -45.018 12.466 -22.463 1.00 40.26 0.010 A 2454 | ATOM 2497 CE1 TYR X 255 -42.806 12.603 -24.137 1.00 40.05 0.037 A 2455 | ATOM 2498 CE2 TYR X 255 -45.111 12.035 -23.792 1.00 42.97 0.037 A 2456 | ATOM 2499 CZ TYR X 255 -43.999 12.108 -24.621 1.00 42.75 0.065 A 2457 | ATOM 2500 OH TYR X 255 -44.089 11.708 -25.938 1.00 42.94 -0.361 OA 2458 | ATOM 2501 HH TYR X 255 -43.328 11.758 -26.505 1.00 0.00 0.217 HD 2459 | ATOM 2502 N LEU X 256 -40.823 12.907 -20.440 1.00 28.25 -0.346 N 2460 | ATOM 2503 HN LEU X 256 -41.059 13.852 -20.137 1.00 0.00 0.163 HD 2461 | ATOM 2504 CA LEU X 256 -39.524 12.681 -21.049 1.00 25.01 0.177 C 2462 | ATOM 2505 C LEU X 256 -38.805 11.469 -20.473 1.00 24.50 0.241 C 2463 | ATOM 2506 O LEU X 256 -38.279 10.636 -21.222 1.00 25.19 -0.271 OA 2464 | ATOM 2507 CB LEU X 256 -38.644 13.931 -20.876 1.00 22.22 0.038 C 2465 | ATOM 2508 CG LEU X 256 -38.399 14.814 -22.107 1.00 23.10 -0.020 C 2466 | ATOM 2509 CD1 LEU X 256 -39.679 15.075 -22.872 1.00 23.58 0.009 C 2467 | ATOM 2510 CD2 LEU X 256 -37.806 16.128 -21.629 1.00 28.17 0.009 C 2468 | ATOM 2511 N GLN X 257 -38.776 11.366 -19.149 1.00 26.29 -0.346 N 2469 | ATOM 2512 HN GLN X 257 -39.230 12.080 -18.579 1.00 0.00 0.163 HD 2470 | ATOM 2513 CA GLN X 257 -38.105 10.248 -18.500 1.00 29.14 0.177 C 2471 | ATOM 2514 C GLN X 257 -38.664 8.898 -18.925 1.00 30.33 0.241 C 2472 | ATOM 2515 O GLN X 257 -37.910 7.959 -19.191 1.00 30.31 -0.271 OA 2473 | ATOM 2516 CB GLN X 257 -38.215 10.352 -16.979 1.00 29.05 0.044 C 2474 | ATOM 2517 CG GLN X 257 -37.451 9.255 -16.289 1.00 32.39 0.105 C 2475 | ATOM 2518 CD GLN X 257 -37.792 9.114 -14.823 1.00 36.37 0.215 C 2476 | ATOM 2519 NE2 GLN X 257 -38.926 9.667 -14.426 1.00 41.71 -0.370 N 2477 | ATOM 2520 1HE2 GLN X 257 -39.156 9.572 -13.437 1.00 0.00 0.159 HD 2478 | ATOM 2521 2HE2 GLN X 257 -39.539 10.179 -15.060 1.00 0.00 0.159 HD 2479 | ATOM 2522 OE1 GLN X 257 -37.052 8.496 -14.058 1.00 36.61 -0.274 OA 2480 | ATOM 2523 N SER X 258 -39.988 8.801 -18.979 1.00 30.65 -0.344 N 2481 | ATOM 2524 HN SER X 258 -40.557 9.614 -18.744 1.00 0.00 0.163 HD 2482 | ATOM 2525 CA SER X 258 -40.649 7.555 -19.368 1.00 32.15 0.200 C 2483 | ATOM 2526 C SER X 258 -40.455 7.289 -20.837 1.00 28.28 0.243 C 2484 | ATOM 2527 O SER X 258 -40.124 6.179 -21.227 1.00 25.31 -0.271 OA 2485 | ATOM 2528 CB SER X 258 -42.151 7.631 -19.067 1.00 36.09 0.199 C 2486 | ATOM 2529 OG SER X 258 -42.752 8.693 -19.789 1.00 44.96 -0.398 OA 2487 | ATOM 2530 HG SER X 258 -43.682 8.740 -19.603 1.00 0.00 0.209 HD 2488 | ATOM 2531 N PHE X 259 -40.668 8.315 -21.650 1.00 29.49 -0.346 N 2489 | ATOM 2532 HN PHE X 259 -40.944 9.216 -21.259 1.00 0.00 0.163 HD 2490 | ATOM 2533 CA PHE X 259 -40.515 8.176 -23.087 1.00 31.75 0.180 C 2491 | ATOM 2534 C PHE X 259 -39.189 7.523 -23.465 1.00 33.59 0.241 C 2492 | ATOM 2535 O PHE X 259 -39.159 6.555 -24.230 1.00 36.56 -0.271 OA 2493 | ATOM 2536 CB PHE X 259 -40.598 9.531 -23.764 1.00 30.44 0.073 C 2494 | ATOM 2537 CG PHE X 259 -40.567 9.443 -25.249 1.00 35.18 -0.056 A 2495 | ATOM 2538 CD1 PHE X 259 -41.743 9.443 -25.982 1.00 37.03 0.007 A 2496 | ATOM 2539 CD2 PHE X 259 -39.358 9.323 -25.917 1.00 35.44 0.007 A 2497 | ATOM 2540 CE1 PHE X 259 -41.719 9.320 -27.360 1.00 37.17 0.001 A 2498 | ATOM 2541 CE2 PHE X 259 -39.322 9.201 -27.288 1.00 37.20 0.001 A 2499 | ATOM 2542 CZ PHE X 259 -40.503 9.201 -28.017 1.00 38.84 0.000 A 2500 | ATOM 2543 N LEU X 260 -38.091 8.048 -22.933 1.00 35.16 -0.346 N 2501 | ATOM 2544 HN LEU X 260 -38.173 8.848 -22.306 1.00 0.00 0.163 HD 2502 | ATOM 2545 CA LEU X 260 -36.762 7.499 -23.230 1.00 38.46 0.177 C 2503 | ATOM 2546 C LEU X 260 -36.533 6.160 -22.543 1.00 39.97 0.241 C 2504 | ATOM 2547 O LEU X 260 -35.691 5.361 -22.961 1.00 37.21 -0.271 OA 2505 | ATOM 2548 CB LEU X 260 -35.680 8.476 -22.770 1.00 36.26 0.038 C 2506 | ATOM 2549 CG LEU X 260 -35.484 9.739 -23.598 1.00 34.97 -0.020 C 2507 | ATOM 2550 CD1 LEU X 260 -34.643 10.713 -22.798 1.00 35.84 0.009 C 2508 | ATOM 2551 CD2 LEU X 260 -34.819 9.385 -24.935 1.00 32.24 0.009 C 2509 | ATOM 2552 N GLU X 261 -37.285 5.940 -21.473 1.00 42.90 -0.346 N 2510 | ATOM 2553 HN GLU X 261 -37.955 6.653 -21.184 1.00 0.00 0.163 HD 2511 | ATOM 2554 CA GLU X 261 -37.183 4.719 -20.704 1.00 47.21 0.177 C 2512 | ATOM 2555 C GLU X 261 -37.867 3.575 -21.446 1.00 50.68 0.241 C 2513 | ATOM 2556 O GLU X 261 -37.680 2.405 -21.118 1.00 52.27 -0.271 OA 2514 | ATOM 2557 CB GLU X 261 -37.834 4.947 -19.344 1.00 49.23 0.045 C 2515 | ATOM 2558 CG GLU X 261 -37.311 4.075 -18.243 1.00 53.47 0.116 C 2516 | ATOM 2559 CD GLU X 261 -37.869 4.471 -16.889 1.00 57.63 0.172 C 2517 | ATOM 2560 OE1 GLU X 261 -37.621 5.612 -16.448 1.00 58.23 -0.648 OA 2518 | ATOM 2561 OE2 GLU X 261 -38.559 3.641 -16.265 1.00 62.95 -0.648 OA 2519 | ATOM 2562 N ASP X 262 -38.652 3.921 -22.463 1.00 55.78 -0.346 N 2520 | ATOM 2563 HN ASP X 262 -38.758 4.909 -22.695 1.00 0.00 0.163 HD 2521 | ATOM 2564 CA ASP X 262 -39.367 2.922 -23.256 1.00 56.58 0.186 C 2522 | ATOM 2565 C ASP X 262 -38.912 2.932 -24.716 1.00 57.38 0.241 C 2523 | ATOM 2566 O ASP X 262 -38.942 3.959 -25.385 1.00 56.98 -0.271 OA 2524 | ATOM 2567 CB ASP X 262 -40.867 3.173 -23.166 1.00 56.90 0.147 C 2525 | ATOM 2568 CG ASP X 262 -41.353 3.223 -21.732 1.00 58.70 0.175 C 2526 | ATOM 2569 OD1 ASP X 262 -40.916 2.369 -20.930 1.00 56.92 -0.648 OA 2527 | ATOM 2570 OD2 ASP X 262 -42.174 4.112 -21.412 1.00 61.96 -0.648 OA 2528 | ATOM 2571 N TYR X 263 -38.484 1.765 -25.182 1.00 59.44 -0.348 N 2529 | ATOM 2572 HN TYR X 263 -38.491 0.965 -24.549 1.00 0.00 0.163 HD 2530 | ATOM 2573 CA TYR X 263 -38.003 1.557 -26.546 1.00 56.78 0.150 C 2531 | ATOM 2574 C TYR X 263 -37.761 0.056 -26.752 1.00 55.96 0.256 C 2532 | ATOM 2575 O TYR X 263 -36.839 -0.515 -26.167 1.00 46.15 -0.305 OA 2533 | ATOM 2576 CB TYR X 263 -36.685 2.298 -26.768 1.00 58.38 0.070 C 2534 | ATOM 2577 CG TYR X 263 -36.802 3.601 -27.527 1.00 59.43 -0.056 A 2535 | ATOM 2578 CD1 TYR X 263 -35.678 4.200 -28.088 1.00 57.79 0.010 A 2536 | ATOM 2579 CD2 TYR X 263 -38.028 4.230 -27.695 1.00 59.86 0.010 A 2537 | ATOM 2580 CE1 TYR X 263 -35.769 5.378 -28.796 1.00 55.51 0.037 A 2538 | ATOM 2581 CE2 TYR X 263 -38.128 5.417 -28.402 1.00 58.64 0.037 A 2539 | ATOM 2582 CZ TYR X 263 -36.995 5.981 -28.949 1.00 56.95 0.065 A 2540 | ATOM 2583 OH TYR X 263 -37.087 7.151 -29.666 1.00 60.14 -0.361 OA 2541 | ATOM 2584 HH TYR X 263 -36.306 7.540 -30.043 1.00 0.00 0.217 HD 2542 | -------------------------------------------------------------------------------- /data/receptor_config.txt: -------------------------------------------------------------------------------- 1 | receptor = receptor.pdbqt 2 | 3 | center_x = -14 4 | center_y = 18 5 | center_z = -15 6 | 7 | size_x = 14 8 | size_y = 18 9 | size_z = 15 10 | 11 | 12 | cpu = 1 ## for OSG runs 1 cpu is mandated 13 | 14 | exhaustiveness = 8 #defualt 15 | 16 | num_modes = 9 # max number of distinct possitions 17 | 18 | energy_range = 5 # max deltaG differance between recorded possitions 19 | -------------------------------------------------------------------------------- /logs/.gitkeep: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/OSGConnect/tutorial-AutoDockVina/9ab3ce1dbdba407fc7137d80df3626f87ffe82b2/logs/.gitkeep -------------------------------------------------------------------------------- /vina_job.submit: -------------------------------------------------------------------------------- 1 | executable = vina_run.sh 2 | 3 | transfer_input_files = data/, vina 4 | should_transfer_files = Yes 5 | when_to_transfer_output = ON_EXIT 6 | 7 | output = logs/job.$(Cluster).$(Process).out 8 | error = logs/job.$(Cluster).$(Process).error 9 | log = logs/job.$(Cluster).$(Process).log 10 | 11 | request_cpus = 1 12 | request_memory = 1GB 13 | request_disk = 512MB 14 | 15 | queue 1 16 | 17 | 18 | -------------------------------------------------------------------------------- /vina_multi.sh: -------------------------------------------------------------------------------- 1 | #!/bin/bash 2 | 3 | # Make a directory for results 4 | mkdir results 5 | 6 | # Run vina on multiple ligands 7 | for LIGAND in *ligand.pdbqt 8 | do 9 | ./vina --config receptor_config.txt \ 10 | --ligand ${LIGAND} --out results/receptor-${LIGAND} 11 | done 12 | -------------------------------------------------------------------------------- /vina_multijob.submit: -------------------------------------------------------------------------------- 1 | executable = vina_multi.sh 2 | 3 | transfer_input_files = $(inputdir)/, vina 4 | transfer_output_files = results 5 | should_transfer_files = Yes 6 | when_to_transfer_output = ON_EXIT 7 | 8 | output = logs/job.$(Cluster).$(Process).out 9 | error = logs/job.$(Cluster).$(Process).error 10 | log = logs/job.$(Cluster).$(Process).log 11 | 12 | request_cpus = 1 13 | request_memory = 1GB 14 | request_disk = 512MB 15 | 16 | queue inputdir matching run* 17 | -------------------------------------------------------------------------------- /vina_run.sh: -------------------------------------------------------------------------------- 1 | #!/bin/bash 2 | 3 | # Run vina 4 | ./vina --config receptor_config.txt \ 5 | --ligand ligand.pdbqt --out receptor-ligand.pdbqt 6 | --------------------------------------------------------------------------------