├── .gitignore ├── README.md └── test_data ├── 3e5c.pdb └── seq.fa /.gitignore: -------------------------------------------------------------------------------- 1 | *~ -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- 1 | RNA Structural Bioinformatics Crash Course 2 | ----------------------------------- 3 | Marcin Magnus (/my family name/@genesilico.pl) 4 | 5 | (under development) 6 | 7 | Table of Contents 8 | ================= 9 | 10 | * [MUST-READ](#must-read) 11 | * [RNA structural bioinformatics](#rna-structural-bioinformatics) 12 | * [0\. Formats](#0-formats) 13 | * [1\. RNA sequence analysis](#1-rna-sequence-analysis) 14 | * [2\. RNA secondary structure](#2-rna-secondary-structure) 15 | * [3\. RNA 3D structure analysis and prediction](#3-rna-3d-structure-analysis-and-prediction) 16 | * [Predict the structure (SimRNAweb/RNAComposer/MC\-SYM|MC\-Fold)](#predict-the-structure-simrnawebrnacomposermc-symmc-fold) 17 | * [RNAComposer](#rnacomposer) 18 | * [MC\-SYM|MC\-FOLD](#mc-symmc-fold) 19 | * [Modeling using restraint (SimRNAweb)](#modeling-using-restraint-simrnaweb) 20 | * [Assess the quality of your structure (mqapRNA)](#assess-the-quality-of-your-structure-mqaprna) 21 | * [Calculate RMSD between the native structure and models (PyMOL)](#calculate-rmsd-between-the-native-structure-and-models-pymol) 22 | * [Refine models (QRNAS)](#refine-models-qrnas) 23 | * [RNA utils](#rna-utils) 24 | * [Model RNA using a template of a homolog (comparative RNA modeling) (ModeRNA)](#model-rna-using-a-template-of-a-homolog-comparative-rna-modeling-moderna) 25 | * [Classifier contatcs in RNA models (ClaRNA, PDBee)](#classifier-contatcs-in-rna-models-clarna-pdbee) 26 | * [Mine RNA 3D structure motifs and their contacts \- both with themselves and with proteins (RNAbricks)](#mine-rna-3d-structure-motifs-and-their-contacts---both-with-themselves-and-with-proteins-rnabricks) 27 | * [Dock RNA/DNA to a protein (NPDock)](#dock-rnadna-to-a-protein-npdock) 28 | * [Scientific software](#scientific-software) 29 | * [Biopython](#biopython) 30 | * [Pandas](#pandas) 31 | * [NumPy](#numpy) 32 | * [Matplotlib](#matplotlib) 33 | * [SciKit](#scikit) 34 | * [IPython Notebook (Jupyter)](#ipython-notebook-jupyter) 35 | * [PyMOL](#pymol) 36 | * [H2O](#h2o) 37 | * [Using cluster](#using-cluster) 38 | * [Git](#git) 39 | * [More](#more) 40 | * [RNA motifs](#rna-motifs) 41 | * [References](#references) 42 | * [Books](#books) 43 | * [Notes](#notes) 44 | * [TODO](#todo) 45 | 46 | Created by [gh-md-toc](https://github.com/ekalinin/github-markdown-toc.go) 47 | 48 | seq = sequence 49 | ss = secondary structure 50 | rmsd = [Root-mean-square deviation of atomic positions](https://en.wikipedia.org/wiki/Root-mean-square_deviation_of_atomic_positions) 51 | 52 | # MUST-READ 53 | 54 | **RNA bioinformatics** 55 | 56 | Chapter #1 Introduction (by Michael Levitt) & #2 Modeling RNA Molecules (by Leontis & Westhof) & #5 Template-Based and Template-Free Modeling of RNA 3D Structure: Inspirations from Protein Structure Modeling of RNA 3D Structure Analysis and Prediction http://link.springer.com/book/10.1007%2F978-3-642-25740-7 57 | 58 | **Python** 59 | Managing Your Biological Data with Python, Allegra Via, Kristian Rother, Anna Tramontano 60 | 61 | **LINUX** http://www.cs.sfu.ca/~ggbaker/reference/unix/ 62 | 63 | # RNA structural bioinformatics 64 | 65 | The sequence: 66 | 67 | GUUCCCGAAAGGAUGGCGGAAACGCCAGAUGCCUUGUAACCGAAAGGGGGAAU 68 | 69 | ## 0. Formats 70 | 71 | Which format to save: 72 | 73 | - [ ] a sequence 74 | - [ ] a secondary structure 75 | - [ ] a structure. 76 | 77 | 78 | ## 1. RNA sequence analysis 79 | a) What is a FASTA format? 80 | 81 | 1. write the seq in the Fasta format 82 | 83 | More: https://en.wikipedia.org/wiki/FASTA_format 84 | 85 | b) **RFAM** database is a collection of RNA families, each represented by multiple sequence alignments, consensus secondary structures and covariance models (CMs). (http://rfam.xfam.org/) 86 | 87 | 1. Which RNA family the seq belongs to? 88 | 1. How many structures 89 | 1. What members clan (CL00012) contains? 90 | 1. Download the alignment and view it in JalView 91 | 92 | ## 2. RNA secondary structure 93 | Predict secondary structure for the sequence. 94 | 95 | 1. Use CompaRNA (http://genesilico.pl/comparna/) to check what is the best available tool at the moment. 96 | 2. Get a secondary structure from a structure 3E5C (PDB database) 97 | 3. Compare the predicted secondary structure to the native secondary structure 98 | 99 | More: http://link.springer.com/protocol/10.1007%2F978-1-62703-709-9_12 100 | ## 3. RNA 3D structure analysis and prediction 101 | ### Predict the structure (SimRNAweb/RNAComposer/MC-SYM|MC-Fold) 102 | 103 | 104 | 1. run SimRNAweb using the seq 105 | 2. run SimRNAweb using the seq and ss 106 | 107 | #### RNAComposer 108 | http://rnacomposer.cs.put.poznan.pl/ 109 | #### MC-SYM|MC-FOLD 110 | Edit secondary structure to provide your own secondary structure 111 | 112 | Trick to run the tool: 113 | 114 | http://www.major.iric.ca/cgi-bin/MC-Sym/mcsym.cgi?scriptgen=>seq|GUUCCCGAAAGGAUGGCGGAAACGCCAGAUGCCUUGUAACCGAAAGGGGGAAU|(((((((((((((((((((..))))))...)))))))..(((..)))))))))&action=Advanced 115 | 116 | ### Modeling using restraint (SimRNAweb) 117 | https://rmdb.stanford.edu/browse/ 118 | ### Assess the quality of your structure (mqapRNA) 119 | 120 | ### Calculate RMSD between the native structure and models (PyMOL) 121 | 122 | 1. use PyMOL to align SimRNAweb models with the native structure 123 | 124 | ### Refine models (QRNAS) 125 | QRNA 0.2 - Quick Refinement of Nucleic Acids 0.2 126 | 127 | Tutorial by Magnus https://docs.google.com/document/d/1ccbsZrnafBHJGEuXR2lvvMSh49VdTZMZfnyy0NFZxO8/edit 128 | 129 | QRNA [RNA&DNA ONLY (incl. modified nts) 130 | 131 | - adds missing atoms (esp. hydrogen) 132 | - single-point energy calculations 133 | - energy minimization in all-atom representation (Amber ff ONLY, implicit water, constraints possible) 134 | 135 | https://docs.google.com/document/d/1ccbsZrnafBHJGEuXR2lvvMSh49VdTZMZfnyy0NFZxO8/edit 136 | 137 | $ ./QRNA -i pdbfile.pdb -o outfile.pdb 138 | It minimizes pdbfile.pdb and writes outfile.pdb every 100 steps. 139 | All default parameters are used, which should be fine in most cases. 140 | 141 | # RNA utils 142 | ## Model RNA using a template of a homolog (comparative RNA modeling) (ModeRNA) 143 | - http://genesilico.pl/moderna/ 144 | 145 | ## Classifier contatcs in RNA models (ClaRNA, PDBee) 146 | - http://genesilico.pl/clarna/ 147 | - http://rnapdbee.cs.put.poznan.pl 148 | 149 | ## Mine RNA 3D structure motifs and their contacts - both with themselves and with proteins (RNAbricks) 150 | - http://iimcb.genesilico.pl/rnabricks/ 151 | 152 | ## Dock RNA/DNA to a protein (NPDock) 153 | - http://genesilico.pl/NPDock/ 154 | 155 | # Scientific software 156 | ## Biopython 157 | The Biopython Project is an open-source collection of non-commercial Python tools for computational biology and bioinformatics, created by an international association of developers. It contains classes to represent biological sequences and sequence annotations, and it is able to read and write to a variety of file formats. It also allows for a programmatic means of accessing online databases of biological information, such as those at NCBI. Separate modules extend Biopython's capabilities to sequence alignment, protein structure, population genetics, phylogenetics, sequence motifs, and machine learning. Biopython is one of a number of Bio* projects designed to reduce code duplication in computational biology. 158 | 159 | - [ ] read a seq.fa into biopython 160 | - [ ] calc rmsd between two structures using biopython 161 | 162 | More: 163 | 164 | - https://en.wikipedia.org/wiki/Biopython 165 | - http://biopython.org/wiki/Getting_Started 166 | 167 | ## Pandas 168 | Pandas is a software library written for the Python programming language for data manipulation and analysis. In particular, it offers data structures and operations for manipulating numerical tables and time series. Pandas is free software released under the three-clause BSD license.[2] The name is derived from the term "panel data", an econometrics term for multidimensional structured data sets. 169 | 170 | More: 171 | 172 | - https://en.wikipedia.org/wiki/Pandas_%28software%29 173 | - http://pandas.pydata.org/pandas-docs/version/0.18.1/10min.html 174 | 175 | Practicals: 176 | 177 | - [ ] make an dataframe, `df2` and run head(), tail(), and select a column 178 | 179 | ## NumPy 180 | NumPy (pronounced "Numb Pie" or sometimes "Numb pee"[1][2]) is an extension to the Python programming language, adding support for large, multi-dimensional arrays and matrices, along with a large library of high-level mathematical functions to operate on these arrays. The ancestor of NumPy, Numeric, was originally created by Jim Hugunin with contributions from several other developers. In 2005, Travis Oliphant created NumPy by incorporating features of the competing Numarray into Numeric, with extensive modifications. NumPy is open source and has many contributors. 181 | 182 | More: 183 | 184 | - https://en.wikipedia.org/wiki/NumPy 185 | - http://www.numpy.org/ 186 | - https://numpy.org/doc/stable/user/quickstart.html 187 | 188 | Practicals: 189 | 190 | - [ ] make an array of [2,3,1,0] 191 | - ... 192 | 193 | ## Matplotlib 194 | matplotlib is a plotting library for the Python programming language and its numerical mathematics extension NumPy. It provides an object-oriented API for embedding plots into applications using general-purpose GUI toolkits like wxPython, Qt, or GTK+. There is also a procedural "pylab" interface based on a state machine (like OpenGL), designed to closely resemble that of MATLAB. SciPy makes use of matplotlib. matplotlib was originally written by John D. Hunter, has an active development community, and is distributed under a BSD-style license. Michael Droettboom was nominated as matplotlib's lead developer shortly before John Hunter's death in 2012. 195 | 196 | - https://en.wikipedia.org/wiki/Matplotlib 197 | - http://matplotlib.org/1.4.0/users/pyplot_tutorial.html 198 | 199 | Practicals: 200 | 201 | - [ ] plot [2,3,1,0] 202 | - ... 203 | 204 | ## SciKit 205 | scikit-learn (formerly scikits.learn) is a free software machine learning library for the Python programming language.[2] It features various classification, regression and clustering algorithms including support vector machines, random forests, gradient boosting, k-means and DBSCAN, and is designed to interoperate with the Python numerical and scientific libraries NumPy and SciPy. scikit-learn is largely written in Python, with some core algorithms written in Cython to achieve performance. Support vector machines are implemented by a Cython wrapper around LIBSVM; logistic regression and linear support vector machines by a similar wrapper around LIBLINEAR. 206 | 207 | - https://en.wikipedia.org/wiki/Scikit-learn 208 | - http://scikit-learn.org/stable/ 209 | 210 | Practicals: 211 | 212 | - run http://scikit-learn.org/stable/auto_examples/svm/plot_svm_regression.html#example-svm-plot-svm-regression-py 213 | 214 | ## IPython Notebook (Jupyter) 215 | The IPython Notebook is now known as the Jupyter Notebook. It is an interactive computational environment, in which you can combine code execution, rich text, mathematics, plots and rich media. For more details on the Jupyter Notebook, please see the Jupyter website. 216 | 217 | https://ipython.org/notebook.html 218 | ## PyMOL 219 | - http://www.pymolwiki.org/index.php/Practical_Pymol_for_Beginners 220 | - http://csb.stanford.edu/class/public/pages/sykes_pymol/pymol_info.html 221 | 222 | Practicals: 223 | 224 | - select a chain by clicking and from the cmd 225 | - renumber a chain 226 | - show a structure as cartoon and ribbon 227 | - align two structures 228 | 229 | ## H2O 230 | H2O is open-source software for big-data analysis. It is produced by the start-up H2O.ai (formerly 0xdata), which launched in 2011 in Silicon Valley. The speed and flexibility of H2O allow users to fit hundreds or thousands of potential models as part of discovering patterns in data. With H2O, users can throw models at data to find usable information, allowing H2O to discover patterns. Using H2O, Cisco estimates each month 20 thousand models of its customers' propensities to buy. 231 | 232 | H2O's mathematical core is developed with the leadership of Arno Candel; after H2O was rated as the best "open-source Java machine learning project" by GitHub's programming members, Candel was named to the first class of "Big Data All Stars" by Fortune in 2014. The firm's scientific advisors are experts on statistical learning theory and mathematical optimization. 233 | 234 | The H2O software runs can be called from the statistical package R and other environments. It is used for exploring and analyzing datasets held in cloud computing systems and in the Apache Hadoop Distributed File System as well as in the conventional operating-systems Linux, Mac OS, and Microsoft Windows. The H2O software is written in Java, Python, and R. Its graphical-user interface is compatible with four popular browsers: Chrome, Safari, Firefox, and Internet Explorer. 235 | 236 | Programming languages The H2O software was written with three programming languages: Java (6 or later), Python (2.7.x), and R (3.0.0 or later). 237 | 238 | - https://en.wikipedia.org/wiki/H2O_%28software%29 239 | - doc for h2o https://h2o-release.s3.amazonaws.com/h2o/rel-turchin/6/docs-website/h2o-docs/index.html 240 | - doc for h2o and python https://h2o-release.s3.amazonaws.com/h2o/rel-turchin/6/docs-website/h2o-py/docs/index.html 241 | - tutorials https://github.com/h2oai/h2o-tutorials/tree/master/tutorials 242 | # Utils 243 | ## Python 244 | ### subprocess 245 | err = subprocess.call(cmd, shell=True) 246 | ### joblib 247 | https://pythonhosted.org/joblib/parallel.html 248 | ## Terminal 249 | The system console, computer console, root console, operator's console, or simply console is the text entry and display device for system administration messages, particularly those from the BIOS or boot loader, the kernel, from the init system and from the system logger. It is a physical device consisting of a keyboard and a screen, and traditionally is a text terminal, but may also be a graphical terminal. System consoles are generalized to computer terminals, which are abstracted respectively by virtual consoles and terminal emulators. Today communication with system consoles is generally done abstractly, via the standard streams (stdin, stdout, and stderr), but there may be system-specific interfaces, for example those used by the system kernel. 250 | 251 | Practicals: 252 | 253 | 1. show the contect of seq.fa file in your terminal 254 | 1. change permission to execute a file 255 | 1. install biopython/pymol from using terminal 256 | 1. login to a remote machine using ssh keys 257 | 1. mount a drive using sshfs 258 | 1. download from the terminal this file http://files.rcsb.org/download/1XJR.pdb 259 | 1. check the version of your system 260 | 1. add this `~/bin/` to your (python) path and reload the file with a new variable 261 | 1. grep a file... 262 | 1. open a seq.fa in vim and quite ;-) 263 | 1. take a look at the processes at your machine? (htop) 264 | 1. write a simple bash script to run `cat seq.fa` 265 | 1. go to your home and find `seq.fa` 266 | 1. gzip `seq.fa` 267 | 1. get the top of `seq.fa` 268 | 1. get the bottom of `seq.fa` 269 | 1. screen? 270 | 1. diff? 271 | 1. rsync? 272 | 1. crontab? 273 | 1. run mc and move to your home 274 | 1. http://www.skamphausen.de/cgi-bin/ska/CDargs ? 275 | 1. make an alias 276 | 277 | https://en.wikipedia.org/wiki/System_console 278 | ## Using cluster 279 | 280 | magnus@peyote2:~$ qstat -u '*' 281 | 282 | for i in `seq -w 1 10`; do echo "../SimRNA -c config.dat -s 1gid.fas -S 1gid.ss -r 1gid_restraints_3_01.txt -E 10 -R $i -o 1gid+restraints_3_01_$i >& 1gid+restraints_3_01_$i.txt" | qsub -cwd -V -pe mpi 10 -l h_vmem=250M; done 283 | 284 | ## Git 285 | Git (/ɡɪt/) is a version control system that is widely used for software development and other version control tasks. It is a distributed revision control system with an emphasis on speed, data integrity, and support for distributed, non-linear workflows.[9] Git was created by Linus Torvalds in 2005 for development of the Linux kernel, with other kernel developers contributing to its initial development. 286 | 287 | (private) 288 | 289 | https://en.wikipedia.org/wiki/Git_%28software%29 290 | # More 291 | 292 | - https://ribokit.github.io/ 293 | - https://daslab.stanford.edu/resources/ 294 | 295 | ## RNA motifs 296 | https://en.wikipedia.org/wiki/Tetraloop 297 | 298 | # References 299 | Rfam 12.0: updates to the RNA families database. Eric P. Nawrocki, Sarah W. Burge, Alex Bateman, Jennifer Daub, Ruth Y. Eberhardt, Sean R. Eddy, Evan W. Floden, Paul P. Gardner, Thomas A. Jones, John Tate and Robert D. Finn Nucleic Acids Research (2014) 10.1093/nar/gku1063 300 | 301 | Gorodkin, J., & Walker, J. M. (n.d.). RNA Sequence , Structure , and Function : Computational and Bioinformatic Methods IN Series Editor. 302 | # Books 303 | **RNA 3D Structure Analysis and Prediction** Neocles Leontis, Eric Westhof 2012 http://link.springer.com/book/10.1007/978-3-642-25740-7 304 | 305 | **RNA Sequence, Structure, and Function: Computational and Bioinformatic**, Methods Editors: Gorodkin, Jan, Ruzzo, Walter L. (Eds.) 2014 http://www.springer.com/us/book/9781627037082 306 | # Notes 307 | Seq in fasta format: 308 | 309 | >seq 310 | GUUCCCGAAAGGAUGGCGGAAACGCCAGAUGCCUUGUAACCGAAAGGGGGAAU 311 | 312 | ------------------------------------------------------------------------------- 313 | 314 | Crystal Structure of the SMK box (SAM-III) Riboswitch with SAM 315 | 316 | >3E5C:A|PDBID|CHAIN|SEQUENCE 317 | GUUCCCGAAAGGAUGGCGGAAACGCCAGAUGCCUUGUAACCGAAAGGGGGAAU 318 | 319 | http://www.rcsb.org/pdb/files/fasta.txt?structureIdList=3E5C 320 | 321 | ------------------------------------------------------------------------------- 322 | 323 | The SMKbox riboswitch (also known as SAM-III) is a RNA element that regulates gene expression in bacteria.[2][3] The SMK box riboswitch is found in the 5' UTR of the MetK gene in lactic acid bacteria. The structure of this element changes upon binding to S-adenosyl methionine (SAM) to a conformation that blocks the shine-dalgarno sequence and blocks translation of the gene. 324 | 325 | There are other known SAM-binding riboswitches such as SAM-I and SAM-II, but these appear to share no similarity in sequence or structure to SAM-III. http://rfam.xfam.org/family/RF01767#cite_note-pmid18806797-1 326 | 327 | ------------------------------------------------------------------------------- 328 | 329 | Get clusters of 3e5c 330 | 331 | - http://ndbserver.rutgers.edu/service/ndb/atlas/stfeatures?searchTarget=ur0166&ftrType=nr&start=0&limit=0 332 | - http://rna.bgsu.edu/rna3dhub/nrlist/view/NR_all_19088.1 333 | 334 | ------------------------------------------------------------------------------- 335 | 336 | Secondary structure: 337 | 338 | GUUCCCGAAAGGAUGGCGGAAACGCCAGAUGCCUUGUAACCGAAAGGGGGAAU 339 | ((((((..((((.(((((....)))))....))))....((....)))))))) # 3E5C.pdb rnapdbee 340 | ((((((..((((.(((((....)))))....))))....((....)))))))) # mfold (-24.00) / 1. 341 | .(((((..((((.(((((....)))))....))))....((....))))))). # clarna 2. 342 | (((((((((((((((((((..))))))...)))))))..(((..))))))))) [view] [edit] [submit] 343 | (((((((((((((((((((..)))))))...))))))..(((..))))))))) [view] [edit] [submit] 344 | (((((((((((((((((((..))))))..).))))))..(((..))))))))) [view] [edit] [submit] 345 | ((((((((((((((((((....)))))...)))))))..(((..))))))))) 346 | 1. http://unafold.rna.albany.edu/results/9/16Jun01-09-40-08/16Jun01-09-40-08_1.b 347 | 2. http://genesilico.pl/clarna/alg/cl_job/0e47a0b7-4702-40c0-a868-df4fd04990ad/result/ 348 | 349 | ------------------------------------------------------------------------------- 350 | 351 | SimRNAweb of 3e5c (seq + ss) http://genesilico.pl/SimRNAweb/jobs/d362b582-dd02-4971-ab25-6135c01c727b/ 352 | 353 | ## TODO 354 | 355 | - use data from Rhiju to model any RNA 356 | 357 | -------------------------------------------------------------------------------- /test_data/3e5c.pdb: -------------------------------------------------------------------------------- 1 | HEADER RNA 13-AUG-08 3E5C 2 | TITLE CRYSTAL STRUCTURE OF THE SMK BOX (SAM-III) RIBOSWITCH WITH 3 | TITLE 2 SAM 4 | COMPND MOL_ID: 1; 5 | COMPND 2 MOLECULE: SMK BOX (SAM-III) RIBOSWITCH; 6 | COMPND 3 CHAIN: A; 7 | COMPND 4 ENGINEERED: YES 8 | SOURCE MOL_ID: 1; 9 | SOURCE 2 SYNTHETIC: YES; 10 | SOURCE 3 OTHER_DETAILS: RNA WAS PREPARED BY IN VITRO TRANSCRIPTION 11 | KEYWDS SAM RIBOSWITCH SMK SAM-III TRANSLATION REGULATION SD, RNA 12 | EXPDTA X-RAY DIFFRACTION 13 | AUTHOR C.LU 14 | REVDAT 3 24-FEB-09 3E5C 1 VERSN 15 | REVDAT 2 21-OCT-08 3E5C 1 JRNL 16 | REVDAT 1 07-OCT-08 3E5C 0 17 | JRNL AUTH C.LU,A.M.SMITH,R.T.FUCHS,F.DING,K.RAJASHANKAR, 18 | JRNL AUTH 2 T.M.HENKIN,A.KE 19 | JRNL TITL CRYSTAL STRUCTURES OF THE SAM-III/S(MK) RIBOSWITCH 20 | JRNL TITL 2 REVEAL THE SAM-DEPENDENT TRANSLATION INHIBITION 21 | JRNL TITL 3 MECHANISM. 22 | JRNL REF NAT.STRUCT.MOL.BIOL. V. 15 1076 2008 23 | JRNL REFN ISSN 1545-9993 24 | JRNL PMID 18806797 25 | JRNL DOI 10.1038/NSMB.1494 26 | REMARK 1 27 | REMARK 2 28 | REMARK 2 RESOLUTION. 2.25 ANGSTROMS. 29 | REMARK 3 30 | REMARK 3 REFINEMENT. 31 | REMARK 3 PROGRAM : CNS 1.2 32 | REMARK 3 AUTHORS : BRUNGER,ADAMS,CLORE,DELANO,GROS,GROSSE- 33 | REMARK 3 : KUNSTLEVE,JIANG,KUSZEWSKI,NILGES, PANNU, 34 | REMARK 3 : READ,RICE,SIMONSON,WARREN 35 | REMARK 3 36 | REMARK 3 REFINEMENT TARGET : NULL 37 | REMARK 3 38 | REMARK 3 DATA USED IN REFINEMENT. 39 | REMARK 3 RESOLUTION RANGE HIGH (ANGSTROMS) : 2.25 40 | REMARK 3 RESOLUTION RANGE LOW (ANGSTROMS) : 19.90 41 | REMARK 3 DATA CUTOFF (SIGMA(F)) : 0.000 42 | REMARK 3 DATA CUTOFF HIGH (ABS(F)) : 1443315.130 43 | REMARK 3 DATA CUTOFF LOW (ABS(F)) : 0.0000 44 | REMARK 3 COMPLETENESS (WORKING+TEST) (%) : 93.3 45 | REMARK 3 NUMBER OF REFLECTIONS : 9607 46 | REMARK 3 47 | REMARK 3 FIT TO DATA USED IN REFINEMENT. 48 | REMARK 3 CROSS-VALIDATION METHOD : THROUGHOUT 49 | REMARK 3 FREE R VALUE TEST SET SELECTION : RANDOM 50 | REMARK 3 R VALUE (WORKING SET) : 0.221 51 | REMARK 3 FREE R VALUE : 0.227 52 | REMARK 3 FREE R VALUE TEST SET SIZE (%) : 4.800 53 | REMARK 3 FREE R VALUE TEST SET COUNT : 460 54 | REMARK 3 ESTIMATED ERROR OF FREE R VALUE : 0.011 55 | REMARK 3 56 | REMARK 3 FIT IN THE HIGHEST RESOLUTION BIN. 57 | REMARK 3 TOTAL NUMBER OF BINS USED : 6 58 | REMARK 3 BIN RESOLUTION RANGE HIGH (A) : 2.25 59 | REMARK 3 BIN RESOLUTION RANGE LOW (A) : 2.39 60 | REMARK 3 BIN COMPLETENESS (WORKING+TEST) (%) : 69.40 61 | REMARK 3 REFLECTIONS IN BIN (WORKING SET) : 1108 62 | REMARK 3 BIN R VALUE (WORKING SET) : 0.3410 63 | REMARK 3 BIN FREE R VALUE : 0.3350 64 | REMARK 3 BIN FREE R VALUE TEST SET SIZE (%) : 5.30 65 | REMARK 3 BIN FREE R VALUE TEST SET COUNT : 62 66 | REMARK 3 ESTIMATED ERROR OF BIN FREE R VALUE : 0.043 67 | REMARK 3 68 | REMARK 3 NUMBER OF NON-HYDROGEN ATOMS USED IN REFINEMENT. 69 | REMARK 3 PROTEIN ATOMS : 0 70 | REMARK 3 NUCLEIC ACID ATOMS : 1155 71 | REMARK 3 HETEROGEN ATOMS : 42 72 | REMARK 3 SOLVENT ATOMS : 69 73 | REMARK 3 74 | REMARK 3 B VALUES. 75 | REMARK 3 FROM WILSON PLOT (A**2) : 47.80 76 | REMARK 3 MEAN B VALUE (OVERALL, A**2) : 54.50 77 | REMARK 3 OVERALL ANISOTROPIC B VALUE. 78 | REMARK 3 B11 (A**2) : -8.63000 79 | REMARK 3 B22 (A**2) : -8.63000 80 | REMARK 3 B33 (A**2) : 17.26000 81 | REMARK 3 B12 (A**2) : 0.00000 82 | REMARK 3 B13 (A**2) : 0.00000 83 | REMARK 3 B23 (A**2) : 0.00000 84 | REMARK 3 85 | REMARK 3 ESTIMATED COORDINATE ERROR. 86 | REMARK 3 ESD FROM LUZZATI PLOT (A) : 0.30 87 | REMARK 3 ESD FROM SIGMAA (A) : 0.40 88 | REMARK 3 LOW RESOLUTION CUTOFF (A) : 5.00 89 | REMARK 3 90 | REMARK 3 CROSS-VALIDATED ESTIMATED COORDINATE ERROR. 91 | REMARK 3 ESD FROM C-V LUZZATI PLOT (A) : 0.35 92 | REMARK 3 ESD FROM C-V SIGMAA (A) : 0.43 93 | REMARK 3 94 | REMARK 3 RMS DEVIATIONS FROM IDEAL VALUES. 95 | REMARK 3 BOND LENGTHS (A) : 0.011 96 | REMARK 3 BOND ANGLES (DEGREES) : 1.70 97 | REMARK 3 DIHEDRAL ANGLES (DEGREES) : 19.20 98 | REMARK 3 IMPROPER ANGLES (DEGREES) : 1.54 99 | REMARK 3 100 | REMARK 3 ISOTROPIC THERMAL MODEL : RESTRAINED 101 | REMARK 3 102 | REMARK 3 ISOTROPIC THERMAL FACTOR RESTRAINTS. RMS SIGMA 103 | REMARK 3 MAIN-CHAIN BOND (A**2) : NULL ; NULL 104 | REMARK 3 MAIN-CHAIN ANGLE (A**2) : NULL ; NULL 105 | REMARK 3 SIDE-CHAIN BOND (A**2) : NULL ; NULL 106 | REMARK 3 SIDE-CHAIN ANGLE (A**2) : NULL ; NULL 107 | REMARK 3 108 | REMARK 3 BULK SOLVENT MODELING. 109 | REMARK 3 METHOD USED : FLAT MODEL 110 | REMARK 3 KSOL : 0.40 111 | REMARK 3 BSOL : 56.72 112 | REMARK 3 113 | REMARK 3 NCS MODEL : NULL 114 | REMARK 3 115 | REMARK 3 NCS RESTRAINTS. RMS SIGMA/WEIGHT 116 | REMARK 3 GROUP 1 POSITIONAL (A) : NULL ; NULL 117 | REMARK 3 GROUP 1 B-FACTOR (A**2) : NULL ; NULL 118 | REMARK 3 119 | REMARK 3 PARAMETER FILE 1 : ION.PARAM 120 | REMARK 3 PARAMETER FILE 2 : WATER_REP.PARAM 121 | REMARK 3 PARAMETER FILE 3 : DNA-RNA_REP.PARAM 122 | REMARK 3 PARAMETER FILE 4 : GTP.PARAM 123 | REMARK 3 PARAMETER FILE 5 : SAMTEST.PARAM 124 | REMARK 3 PARAMETER FILE 6 : NULL 125 | REMARK 3 TOPOLOGY FILE 1 : ION.TOP 126 | REMARK 3 TOPOLOGY FILE 2 : DNA-RNA.TOP 127 | REMARK 3 TOPOLOGY FILE 3 : WATER.TOP 128 | REMARK 3 TOPOLOGY FILE 4 : GTP.TOP 129 | REMARK 3 TOPOLOGY FILE 5 : SAMTEST.TOP 130 | REMARK 3 TOPOLOGY FILE 6 : NULL 131 | REMARK 3 132 | REMARK 3 OTHER REFINEMENT REMARKS: BULK SOLVENT MODEL USED 133 | REMARK 4 134 | REMARK 4 3E5C COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 135 | REMARK 100 136 | REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 21-AUG-08. 137 | REMARK 100 THE RCSB ID CODE IS RCSB048894. 138 | REMARK 200 139 | REMARK 200 EXPERIMENTAL DETAILS 140 | REMARK 200 EXPERIMENT TYPE : X-RAY DIFFRACTION 141 | REMARK 200 DATE OF DATA COLLECTION : 21-NOV-07; 22-OCT-07 142 | REMARK 200 TEMPERATURE (KELVIN) : 100; 100 143 | REMARK 200 PH : 7 144 | REMARK 200 NUMBER OF CRYSTALS USED : 2 145 | REMARK 200 146 | REMARK 200 SYNCHROTRON (Y/N) : Y; Y 147 | REMARK 200 RADIATION SOURCE : APS; CHESS 148 | REMARK 200 BEAMLINE : 24-ID-E; F1 149 | REMARK 200 X-RAY GENERATOR MODEL : NULL; NULL 150 | REMARK 200 MONOCHROMATIC OR LAUE (M/L) : M; M 151 | REMARK 200 WAVELENGTH OR RANGE (A) : 0.9792; 0.918 152 | REMARK 200 MONOCHROMATOR : NULL; NULL 153 | REMARK 200 OPTICS : NULL; NULL 154 | REMARK 200 155 | REMARK 200 DETECTOR TYPE : CCD; CCD 156 | REMARK 200 DETECTOR MANUFACTURER : ADSC QUANTUM 315; ADSC 157 | REMARK 200 QUANTUM 210 158 | REMARK 200 INTENSITY-INTEGRATION SOFTWARE : HKL-2000 159 | REMARK 200 DATA SCALING SOFTWARE : HKL-2000 160 | REMARK 200 161 | REMARK 200 NUMBER OF UNIQUE REFLECTIONS : 9607 162 | REMARK 200 RESOLUTION RANGE HIGH (A) : 2.250 163 | REMARK 200 RESOLUTION RANGE LOW (A) : 20.000 164 | REMARK 200 REJECTION CRITERIA (SIGMA(I)) : 37.100 165 | REMARK 200 166 | REMARK 200 OVERALL. 167 | REMARK 200 COMPLETENESS FOR RANGE (%) : 93.3 168 | REMARK 200 DATA REDUNDANCY : 9.800 169 | REMARK 200 R MERGE (I) : 0.06900 170 | REMARK 200 R SYM (I) : 0.06500 171 | REMARK 200 FOR THE DATA SET : 24.7000 172 | REMARK 200 173 | REMARK 200 IN THE HIGHEST RESOLUTION SHELL. 174 | REMARK 200 HIGHEST RESOLUTION SHELL, RANGE HIGH (A) : 2.25 175 | REMARK 200 HIGHEST RESOLUTION SHELL, RANGE LOW (A) : 2.35 176 | REMARK 200 COMPLETENESS FOR SHELL (%) : 74.0 177 | REMARK 200 DATA REDUNDANCY IN SHELL : 4.70 178 | REMARK 200 R MERGE FOR SHELL (I) : 0.37000 179 | REMARK 200 R SYM FOR SHELL (I) : 0.41700 180 | REMARK 200 FOR SHELL : 1.600 181 | REMARK 200 182 | REMARK 200 DIFFRACTION PROTOCOL: SINGLE WAVELENGTH; SINGLE WAVELENGTH 183 | REMARK 200 METHOD USED TO DETERMINE THE STRUCTURE: SAD+MR 184 | REMARK 200 SOFTWARE USED: PHASER 185 | REMARK 200 STARTING MODEL: NULL 186 | REMARK 200 187 | REMARK 200 REMARK: NULL 188 | REMARK 280 189 | REMARK 280 CRYSTAL 190 | REMARK 280 SOLVENT CONTENT, VS (%): 58.91 191 | REMARK 280 MATTHEWS COEFFICIENT, VM (ANGSTROMS**3/DA): 2.99 192 | REMARK 280 193 | REMARK 280 CRYSTALLIZATION CONDITIONS: 40 MM SODIUM CACODYLATE, 80 MM 194 | REMARK 280 SRCL, 15% MPD, 2 MM SPERMINE-HCL, PH 7, VAPOR DIFFUSION, 195 | REMARK 280 HANGING DROP, TEMPERATURE 298K 196 | REMARK 290 197 | REMARK 290 CRYSTALLOGRAPHIC SYMMETRY 198 | REMARK 290 SYMMETRY OPERATORS FOR SPACE GROUP: I 41 2 2 199 | REMARK 290 200 | REMARK 290 SYMOP SYMMETRY 201 | REMARK 290 NNNMMM OPERATOR 202 | REMARK 290 1555 X,Y,Z 203 | REMARK 290 2555 -X+1/2,-Y+1/2,Z+1/2 204 | REMARK 290 3555 -Y,X+1/2,Z+1/4 205 | REMARK 290 4555 Y+1/2,-X,Z+3/4 206 | REMARK 290 5555 -X+1/2,Y,-Z+3/4 207 | REMARK 290 6555 X,-Y+1/2,-Z+1/4 208 | REMARK 290 7555 Y+1/2,X+1/2,-Z+1/2 209 | REMARK 290 8555 -Y,-X,-Z 210 | REMARK 290 9555 X+1/2,Y+1/2,Z+1/2 211 | REMARK 290 10555 -X,-Y,Z 212 | REMARK 290 11555 -Y+1/2,X,Z+3/4 213 | REMARK 290 12555 Y,-X+1/2,Z+1/4 214 | REMARK 290 13555 -X,Y+1/2,-Z+1/4 215 | REMARK 290 14555 X+1/2,-Y,-Z+3/4 216 | REMARK 290 15555 Y,X,-Z 217 | REMARK 290 16555 -Y+1/2,-X+1/2,-Z+1/2 218 | REMARK 290 219 | REMARK 290 WHERE NNN -> OPERATOR NUMBER 220 | REMARK 290 MMM -> TRANSLATION VECTOR 221 | REMARK 290 222 | REMARK 290 CRYSTALLOGRAPHIC SYMMETRY TRANSFORMATIONS 223 | REMARK 290 THE FOLLOWING TRANSFORMATIONS OPERATE ON THE ATOM/HETATM 224 | REMARK 290 RECORDS IN THIS ENTRY TO PRODUCE CRYSTALLOGRAPHICALLY 225 | REMARK 290 RELATED MOLECULES. 226 | REMARK 290 SMTRY1 1 1.000000 0.000000 0.000000 0.00000 227 | REMARK 290 SMTRY2 1 0.000000 1.000000 0.000000 0.00000 228 | REMARK 290 SMTRY3 1 0.000000 0.000000 1.000000 0.00000 229 | REMARK 290 SMTRY1 2 -1.000000 0.000000 0.000000 48.90300 230 | REMARK 290 SMTRY2 2 0.000000 -1.000000 0.000000 48.90300 231 | REMARK 290 SMTRY3 2 0.000000 0.000000 1.000000 43.56900 232 | REMARK 290 SMTRY1 3 0.000000 -1.000000 0.000000 0.00000 233 | REMARK 290 SMTRY2 3 1.000000 0.000000 0.000000 48.90300 234 | REMARK 290 SMTRY3 3 0.000000 0.000000 1.000000 21.78450 235 | REMARK 290 SMTRY1 4 0.000000 1.000000 0.000000 48.90300 236 | REMARK 290 SMTRY2 4 -1.000000 0.000000 0.000000 0.00000 237 | REMARK 290 SMTRY3 4 0.000000 0.000000 1.000000 65.35350 238 | REMARK 290 SMTRY1 5 -1.000000 0.000000 0.000000 48.90300 239 | REMARK 290 SMTRY2 5 0.000000 1.000000 0.000000 0.00000 240 | REMARK 290 SMTRY3 5 0.000000 0.000000 -1.000000 65.35350 241 | REMARK 290 SMTRY1 6 1.000000 0.000000 0.000000 0.00000 242 | REMARK 290 SMTRY2 6 0.000000 -1.000000 0.000000 48.90300 243 | REMARK 290 SMTRY3 6 0.000000 0.000000 -1.000000 21.78450 244 | REMARK 290 SMTRY1 7 0.000000 1.000000 0.000000 48.90300 245 | REMARK 290 SMTRY2 7 1.000000 0.000000 0.000000 48.90300 246 | REMARK 290 SMTRY3 7 0.000000 0.000000 -1.000000 43.56900 247 | REMARK 290 SMTRY1 8 0.000000 -1.000000 0.000000 0.00000 248 | REMARK 290 SMTRY2 8 -1.000000 0.000000 0.000000 0.00000 249 | REMARK 290 SMTRY3 8 0.000000 0.000000 -1.000000 0.00000 250 | REMARK 290 SMTRY1 9 1.000000 0.000000 0.000000 48.90300 251 | REMARK 290 SMTRY2 9 0.000000 1.000000 0.000000 48.90300 252 | REMARK 290 SMTRY3 9 0.000000 0.000000 1.000000 43.56900 253 | REMARK 290 SMTRY1 10 -1.000000 0.000000 0.000000 0.00000 254 | REMARK 290 SMTRY2 10 0.000000 -1.000000 0.000000 0.00000 255 | REMARK 290 SMTRY3 10 0.000000 0.000000 1.000000 0.00000 256 | REMARK 290 SMTRY1 11 0.000000 -1.000000 0.000000 48.90300 257 | REMARK 290 SMTRY2 11 1.000000 0.000000 0.000000 0.00000 258 | REMARK 290 SMTRY3 11 0.000000 0.000000 1.000000 65.35350 259 | REMARK 290 SMTRY1 12 0.000000 1.000000 0.000000 0.00000 260 | REMARK 290 SMTRY2 12 -1.000000 0.000000 0.000000 48.90300 261 | REMARK 290 SMTRY3 12 0.000000 0.000000 1.000000 21.78450 262 | REMARK 290 SMTRY1 13 -1.000000 0.000000 0.000000 0.00000 263 | REMARK 290 SMTRY2 13 0.000000 1.000000 0.000000 48.90300 264 | REMARK 290 SMTRY3 13 0.000000 0.000000 -1.000000 21.78450 265 | REMARK 290 SMTRY1 14 1.000000 0.000000 0.000000 48.90300 266 | REMARK 290 SMTRY2 14 0.000000 -1.000000 0.000000 0.00000 267 | REMARK 290 SMTRY3 14 0.000000 0.000000 -1.000000 65.35350 268 | REMARK 290 SMTRY1 15 0.000000 1.000000 0.000000 0.00000 269 | REMARK 290 SMTRY2 15 1.000000 0.000000 0.000000 0.00000 270 | REMARK 290 SMTRY3 15 0.000000 0.000000 -1.000000 0.00000 271 | REMARK 290 SMTRY1 16 0.000000 -1.000000 0.000000 48.90300 272 | REMARK 290 SMTRY2 16 -1.000000 0.000000 0.000000 48.90300 273 | REMARK 290 SMTRY3 16 0.000000 0.000000 -1.000000 43.56900 274 | REMARK 290 275 | REMARK 290 REMARK: NULL 276 | REMARK 300 277 | REMARK 300 BIOMOLECULE: 1 278 | REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM 279 | REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN 280 | REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON 281 | REMARK 300 BURIED SURFACE AREA. 282 | REMARK 350 283 | REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN 284 | REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE 285 | REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS 286 | REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND 287 | REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. 288 | REMARK 350 289 | REMARK 350 BIOMOLECULE: 1 290 | REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC 291 | REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: MONOMERIC 292 | REMARK 350 SOFTWARE USED: PISA 293 | REMARK 350 APPLY THE FOLLOWING TO CHAINS: A 294 | REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 295 | REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 296 | REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 297 | REMARK 500 298 | REMARK 500 GEOMETRY AND STEREOCHEMISTRY 299 | REMARK 500 SUBTOPIC: CLOSE CONTACTS IN SAME ASYMMETRIC UNIT 300 | REMARK 500 301 | REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. 302 | REMARK 500 303 | REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE 304 | REMARK 500 O1B GTP A 1 O HOH A 284 1.98 305 | REMARK 500 O2A GTP A 1 O HOH A 275 2.17 306 | REMARK 500 307 | REMARK 500 REMARK: NULL 308 | REMARK 500 309 | REMARK 500 GEOMETRY AND STEREOCHEMISTRY 310 | REMARK 500 SUBTOPIC: COVALENT BOND ANGLES 311 | REMARK 500 312 | REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES 313 | REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE 314 | REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN 315 | REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). 316 | REMARK 500 317 | REMARK 500 STANDARD TABLE: 318 | REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) 319 | REMARK 500 320 | REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 321 | REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 322 | REMARK 500 323 | REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 324 | REMARK 500 C A 4 O4' - C1' - N1 ANGL. DEV. = 4.5 DEGREES 325 | REMARK 500 G A 28 C3' - O3' - P ANGL. DEV. = 8.8 DEGREES 326 | REMARK 500 G A 36 O4' - C1' - N9 ANGL. DEV. = 6.4 DEGREES 327 | REMARK 500 G A 48 O4' - C1' - N9 ANGL. DEV. = 4.4 DEGREES 328 | REMARK 500 329 | REMARK 500 REMARK: NULL 330 | REMARK 620 331 | REMARK 620 METAL COORDINATION 332 | REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; 333 | REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE): 334 | REMARK 620 335 | REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL 336 | REMARK 620 SR A 207 SR 337 | REMARK 620 N RES CSSEQI ATOM 338 | REMARK 620 1 C A 6 OP2 339 | REMARK 620 2 HOH A 282 O 150.6 340 | REMARK 620 N 1 341 | REMARK 800 342 | REMARK 800 SITE 343 | REMARK 800 SITE_IDENTIFIER: AC1 344 | REMARK 800 EVIDENCE_CODE: SOFTWARE 345 | REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR A 204 346 | REMARK 800 SITE_IDENTIFIER: AC3 347 | REMARK 800 EVIDENCE_CODE: SOFTWARE 348 | REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR A 207 349 | REMARK 800 SITE_IDENTIFIER: AC4 350 | REMARK 800 EVIDENCE_CODE: SOFTWARE 351 | REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SR A 208 352 | REMARK 800 SITE_IDENTIFIER: AC7 353 | REMARK 800 EVIDENCE_CODE: SOFTWARE 354 | REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE SAM A 216 355 | REMARK 900 356 | REMARK 900 RELATED ENTRIES 357 | REMARK 900 RELATED ID: 3E5E RELATED DB: PDB 358 | REMARK 900 RELATED ID: 3E5F RELATED DB: PDB 359 | DBREF 3E5C A 1 53 PDB 3E5C 3E5C 1 53 360 | SEQRES 1 A 53 GTP U U C C C G A A A G G A 361 | SEQRES 2 A 53 U G G C G G A A A C G C C 362 | SEQRES 3 A 53 A G A U G C C U U G U A A 363 | SEQRES 4 A 53 C C G A A A G G G G G A A 364 | SEQRES 5 A 53 U 365 | MODRES 3E5C GTP A 1 G GUANOSINE-5'-TRIPHOSPHATE 366 | HET GTP A 1 32 367 | HET SR A 201 1 368 | HET SR A 202 1 369 | HET SR A 203 1 370 | HET SR A 204 1 371 | HET SR A 205 1 372 | HET SR A 206 1 373 | HET SR A 207 1 374 | HET SR A 208 1 375 | HET SR A 209 1 376 | HET SR A 210 1 377 | HET SR A 211 1 378 | HET SR A 212 1 379 | HET SR A 213 1 380 | HET SR A 214 1 381 | HET SR A 215 1 382 | HET SAM A 216 27 383 | HETNAM GTP GUANOSINE-5'-TRIPHOSPHATE 384 | HETNAM SR STRONTIUM ION 385 | HETNAM SAM S-ADENOSYLMETHIONINE 386 | FORMUL 1 GTP C10 H16 N5 O14 P3 387 | FORMUL 2 SR 15(SR 2+) 388 | FORMUL 17 SAM C15 H22 N6 O5 S 389 | FORMUL 18 HOH *69(H2 O) 390 | LINK O2A GTP A 1 SR SR A 212 1555 1555 2.65 391 | LINK OP2 C A 6 SR SR A 207 1555 1555 2.56 392 | LINK O4 U A 14 SR SR A 213 1555 1555 2.53 393 | LINK OP2 A A 38 SR SR A 215 1555 1555 2.41 394 | LINK SR SR A 207 O HOH A 282 1555 1555 2.55 395 | LINK SR SR A 208 O HOH A 224 1555 1555 2.41 396 | LINK O3' GTP A 1 P U A 2 1555 1555 1.70 397 | SITE 1 AC1 1 HOH A 223 398 | SITE 1 AC3 2 HOH A 219 HOH A 282 399 | SITE 1 AC4 1 HOH A 224 400 | SITE 1 AC7 2 HOH A 239 HOH A 273 401 | CRYST1 97.806 97.806 87.138 90.00 90.00 90.00 I 41 2 2 16 402 | ORIGX1 1.000000 0.000000 0.000000 0.00000 403 | ORIGX2 0.000000 1.000000 0.000000 0.00000 404 | ORIGX3 0.000000 0.000000 1.000000 0.00000 405 | SCALE1 0.010224 0.000000 0.000000 0.00000 406 | SCALE2 0.000000 0.010224 0.000000 0.00000 407 | SCALE3 0.000000 0.000000 0.011476 0.00000 408 | HETATM 1 PG GTP A 1 33.449 -14.162 23.972 1.00 77.71 P 409 | HETATM 2 O1G GTP A 1 32.843 -12.817 23.597 1.00 76.04 O 410 | HETATM 3 O2G GTP A 1 34.926 -14.184 23.573 1.00 76.83 O 411 | HETATM 4 O3G GTP A 1 32.729 -15.213 23.141 1.00 77.37 O 412 | HETATM 5 O3B GTP A 1 33.334 -14.536 25.570 1.00 71.74 O 413 | HETATM 6 PB GTP A 1 32.712 -13.659 26.789 1.00 67.77 P 414 | HETATM 7 O1B GTP A 1 31.247 -13.997 26.928 1.00 70.04 O 415 | HETATM 8 O2B GTP A 1 33.370 -14.038 28.084 1.00 65.36 O 416 | HETATM 9 O3A GTP A 1 32.952 -12.054 26.440 1.00 66.44 O 417 | HETATM 10 PA GTP A 1 31.976 -10.747 26.173 1.00 60.73 P 418 | HETATM 11 O1A GTP A 1 31.204 -10.885 24.877 1.00 61.49 O 419 | HETATM 12 O2A GTP A 1 31.038 -10.428 27.308 1.00 62.27 O 420 | HETATM 13 O5' GTP A 1 32.975 -9.499 26.013 1.00 56.34 O 421 | HETATM 14 C5' GTP A 1 33.519 -8.843 27.132 1.00 50.78 C 422 | HETATM 15 C4' GTP A 1 34.854 -8.179 26.794 1.00 46.93 C 423 | HETATM 16 O4' GTP A 1 35.761 -9.100 26.227 1.00 45.93 O 424 | HETATM 17 C3' GTP A 1 34.700 -7.171 25.658 1.00 44.54 C 425 | HETATM 18 O3' GTP A 1 34.298 -5.910 26.177 1.00 44.98 O 426 | HETATM 19 C2' GTP A 1 36.049 -7.117 24.983 1.00 43.89 C 427 | HETATM 20 O2' GTP A 1 37.042 -6.357 25.633 1.00 42.14 O 428 | HETATM 21 C1' GTP A 1 36.441 -8.565 25.098 1.00 41.95 C 429 | HETATM 22 N9 GTP A 1 36.135 -9.367 23.891 1.00 37.44 N 430 | HETATM 23 C8 GTP A 1 35.206 -10.375 23.811 1.00 34.16 C 431 | HETATM 24 N7 GTP A 1 35.259 -10.888 22.571 1.00 33.70 N 432 | HETATM 25 C5 GTP A 1 36.206 -10.228 21.855 1.00 33.11 C 433 | HETATM 26 C6 GTP A 1 36.668 -10.352 20.546 1.00 32.49 C 434 | HETATM 27 O6 GTP A 1 36.207 -11.200 19.785 1.00 33.09 O 435 | HETATM 28 N1 GTP A 1 37.672 -9.535 20.095 1.00 32.84 N 436 | HETATM 29 C2 GTP A 1 38.217 -8.585 20.930 1.00 33.24 C 437 | HETATM 30 N2 GTP A 1 39.178 -7.785 20.485 1.00 32.74 N 438 | HETATM 31 N3 GTP A 1 37.758 -8.467 22.222 1.00 33.29 N 439 | HETATM 32 C4 GTP A 1 36.771 -9.276 22.679 1.00 33.70 C 440 | ATOM 33 P U A 2 33.297 -4.878 25.270 1.00 41.21 P 441 | ATOM 34 OP1 U A 2 33.044 -3.581 25.948 1.00 44.69 O 442 | ATOM 35 OP2 U A 2 32.159 -5.698 24.791 1.00 41.89 O 443 | ATOM 36 O5' U A 2 34.283 -4.571 24.060 1.00 41.57 O 444 | ATOM 37 C5' U A 2 35.225 -3.537 24.072 1.00 40.02 C 445 | ATOM 38 C4' U A 2 35.872 -3.518 22.702 1.00 41.25 C 446 | ATOM 39 O4' U A 2 36.352 -4.851 22.378 1.00 42.39 O 447 | ATOM 40 C3' U A 2 34.945 -3.216 21.533 1.00 41.50 C 448 | ATOM 41 O3' U A 2 34.798 -1.833 21.398 1.00 42.89 O 449 | ATOM 42 C2' U A 2 35.753 -3.757 20.367 1.00 40.73 C 450 | ATOM 43 O2' U A 2 36.841 -2.915 20.016 1.00 41.38 O 451 | ATOM 44 C1' U A 2 36.256 -5.058 20.972 1.00 40.06 C 452 | ATOM 45 N1 U A 2 35.402 -6.277 20.700 1.00 38.08 N 453 | ATOM 46 C2 U A 2 35.508 -6.910 19.472 1.00 37.26 C 454 | ATOM 47 O2 U A 2 36.247 -6.544 18.570 1.00 36.97 O 455 | ATOM 48 N3 U A 2 34.700 -8.013 19.334 1.00 37.76 N 456 | ATOM 49 C4 U A 2 33.832 -8.542 20.274 1.00 37.19 C 457 | ATOM 50 O4 U A 2 33.197 -9.553 19.994 1.00 38.00 O 458 | ATOM 51 C5 U A 2 33.768 -7.828 21.526 1.00 36.04 C 459 | ATOM 52 C6 U A 2 34.546 -6.750 21.687 1.00 35.70 C 460 | ATOM 53 P U A 3 33.427 -1.160 20.962 1.00 43.25 P 461 | ATOM 54 OP1 U A 3 33.576 0.257 21.347 1.00 43.69 O 462 | ATOM 55 OP2 U A 3 32.274 -1.938 21.463 1.00 42.53 O 463 | ATOM 56 O5' U A 3 33.457 -1.300 19.359 1.00 42.67 O 464 | ATOM 57 C5' U A 3 34.414 -0.623 18.551 1.00 40.93 C 465 | ATOM 58 C4' U A 3 34.455 -1.235 17.165 1.00 41.05 C 466 | ATOM 59 O4' U A 3 34.927 -2.606 17.283 1.00 42.09 O 467 | ATOM 60 C3' U A 3 33.111 -1.400 16.464 1.00 41.15 C 468 | ATOM 61 O3' U A 3 32.710 -0.215 15.824 1.00 42.44 O 469 | ATOM 62 C2' U A 3 33.451 -2.485 15.455 1.00 40.36 C 470 | ATOM 63 O2' U A 3 34.276 -2.039 14.393 1.00 40.54 O 471 | ATOM 64 C1' U A 3 34.250 -3.434 16.341 1.00 39.39 C 472 | ATOM 65 N1 U A 3 33.444 -4.523 17.021 1.00 36.53 N 473 | ATOM 66 C2 U A 3 33.131 -5.651 16.295 1.00 35.31 C 474 | ATOM 67 O2 U A 3 33.462 -5.807 15.137 1.00 34.73 O 475 | ATOM 68 N3 U A 3 32.408 -6.605 16.973 1.00 34.76 N 476 | ATOM 69 C4 U A 3 31.978 -6.559 18.288 1.00 35.08 C 477 | ATOM 70 O4 U A 3 31.344 -7.505 18.749 1.00 34.65 O 478 | ATOM 71 C5 U A 3 32.342 -5.359 18.996 1.00 34.93 C 479 | ATOM 72 C6 U A 3 33.039 -4.412 18.345 1.00 36.46 C 480 | ATOM 73 P C A 4 31.167 0.124 15.549 1.00 42.61 P 481 | ATOM 74 OP1 C A 4 31.175 1.536 15.104 1.00 45.33 O 482 | ATOM 75 OP2 C A 4 30.331 -0.262 16.705 1.00 42.09 O 483 | ATOM 76 O5' C A 4 30.767 -0.775 14.286 1.00 41.50 O 484 | ATOM 77 C5' C A 4 31.411 -0.639 13.008 1.00 39.54 C 485 | ATOM 78 C4' C A 4 31.074 -1.845 12.140 1.00 39.51 C 486 | ATOM 79 O4' C A 4 31.616 -3.062 12.718 1.00 39.78 O 487 | ATOM 80 C3' C A 4 29.596 -2.178 12.026 1.00 38.79 C 488 | ATOM 81 O3' C A 4 28.988 -1.344 11.092 1.00 38.43 O 489 | ATOM 82 C2' C A 4 29.650 -3.633 11.571 1.00 38.82 C 490 | ATOM 83 O2' C A 4 30.097 -3.839 10.248 1.00 38.10 O 491 | ATOM 84 C1' C A 4 30.719 -4.140 12.520 1.00 39.03 C 492 | ATOM 85 N1 C A 4 30.170 -4.705 13.825 1.00 38.57 N 493 | ATOM 86 C2 C A 4 29.611 -6.001 13.789 1.00 37.24 C 494 | ATOM 87 O2 C A 4 29.574 -6.646 12.723 1.00 36.37 O 495 | ATOM 88 N3 C A 4 29.130 -6.535 14.941 1.00 35.78 N 496 | ATOM 89 C4 C A 4 29.159 -5.851 16.082 1.00 35.36 C 497 | ATOM 90 N4 C A 4 28.647 -6.479 17.148 1.00 34.09 N 498 | ATOM 91 C5 C A 4 29.704 -4.526 16.155 1.00 35.60 C 499 | ATOM 92 C6 C A 4 30.200 -4.001 15.013 1.00 36.94 C 500 | ATOM 93 P C A 5 27.448 -0.962 11.192 1.00 40.09 P 501 | ATOM 94 OP1 C A 5 27.272 0.221 10.345 1.00 42.75 O 502 | ATOM 95 OP2 C A 5 26.995 -0.944 12.593 1.00 41.01 O 503 | ATOM 96 O5' C A 5 26.677 -2.163 10.491 1.00 40.23 O 504 | ATOM 97 C5' C A 5 26.959 -2.653 9.200 1.00 37.35 C 505 | ATOM 98 C4' C A 5 26.170 -3.938 9.051 1.00 36.65 C 506 | ATOM 99 O4' C A 5 26.749 -4.962 9.903 1.00 36.07 O 507 | ATOM 100 C3' C A 5 24.719 -3.909 9.507 1.00 36.32 C 508 | ATOM 101 O3' C A 5 23.895 -3.328 8.528 1.00 36.86 O 509 | ATOM 102 C2' C A 5 24.458 -5.402 9.611 1.00 35.84 C 510 | ATOM 103 O2' C A 5 24.397 -6.033 8.342 1.00 36.56 O 511 | ATOM 104 C1' C A 5 25.723 -5.848 10.321 1.00 34.67 C 512 | ATOM 105 N1 C A 5 25.699 -5.901 11.830 1.00 34.08 N 513 | ATOM 106 C2 C A 5 25.145 -7.036 12.465 1.00 33.15 C 514 | ATOM 107 O2 C A 5 24.657 -7.953 11.791 1.00 33.64 O 515 | ATOM 108 N3 C A 5 25.156 -7.110 13.819 1.00 31.32 N 516 | ATOM 109 C4 C A 5 25.674 -6.109 14.529 1.00 31.64 C 517 | ATOM 110 N4 C A 5 25.637 -6.264 15.845 1.00 30.74 N 518 | ATOM 111 C5 C A 5 26.238 -4.925 13.928 1.00 32.47 C 519 | ATOM 112 C6 C A 5 26.239 -4.874 12.581 1.00 32.09 C 520 | ATOM 113 P C A 6 22.496 -2.655 8.882 1.00 37.32 P 521 | ATOM 114 OP1 C A 6 22.040 -1.967 7.658 1.00 39.03 O 522 | ATOM 115 OP2 C A 6 22.672 -1.894 10.128 1.00 36.68 O 523 | ATOM 116 O5' C A 6 21.485 -3.856 9.164 1.00 37.65 O 524 | ATOM 117 C5' C A 6 20.912 -4.670 8.128 1.00 36.74 C 525 | ATOM 118 C4' C A 6 20.273 -5.895 8.763 1.00 36.39 C 526 | ATOM 119 O4' C A 6 21.234 -6.569 9.620 1.00 36.16 O 527 | ATOM 120 C3' C A 6 19.151 -5.612 9.751 1.00 36.33 C 528 | ATOM 121 O3' C A 6 17.928 -5.310 9.104 1.00 37.74 O 529 | ATOM 122 C2' C A 6 19.069 -6.957 10.452 1.00 35.48 C 530 | ATOM 123 O2' C A 6 18.544 -7.942 9.601 1.00 34.88 O 531 | ATOM 124 C1' C A 6 20.548 -7.221 10.679 1.00 34.45 C 532 | ATOM 125 N1 C A 6 21.060 -6.761 12.024 1.00 32.62 N 533 | ATOM 126 C2 C A 6 20.765 -7.557 13.152 1.00 31.60 C 534 | ATOM 127 O2 C A 6 20.089 -8.582 12.986 1.00 30.99 O 535 | ATOM 128 N3 C A 6 21.208 -7.171 14.390 1.00 29.14 N 536 | ATOM 129 C4 C A 6 21.919 -6.047 14.517 1.00 29.19 C 537 | ATOM 130 N4 C A 6 22.334 -5.732 15.752 1.00 28.51 N 538 | ATOM 131 C5 C A 6 22.216 -5.205 13.385 1.00 29.40 C 539 | ATOM 132 C6 C A 6 21.772 -5.592 12.173 1.00 30.62 C 540 | ATOM 133 P G A 7 16.947 -4.243 9.750 1.00 36.35 P 541 | ATOM 134 OP1 G A 7 15.884 -3.975 8.774 1.00 38.51 O 542 | ATOM 135 OP2 G A 7 17.738 -3.112 10.263 1.00 38.06 O 543 | ATOM 136 O5' G A 7 16.353 -4.963 11.042 1.00 35.96 O 544 | ATOM 137 C5' G A 7 15.486 -6.086 10.993 1.00 33.30 C 545 | ATOM 138 C4' G A 7 15.329 -6.581 12.418 1.00 33.50 C 546 | ATOM 139 O4' G A 7 16.622 -6.933 12.965 1.00 32.91 O 547 | ATOM 140 C3' G A 7 14.839 -5.528 13.395 1.00 34.50 C 548 | ATOM 141 O3' G A 7 13.449 -5.533 13.354 1.00 37.32 O 549 | ATOM 142 C2' G A 7 15.332 -6.077 14.735 1.00 32.61 C 550 | ATOM 143 O2' G A 7 14.543 -7.122 15.241 1.00 29.98 O 551 | ATOM 144 C1' G A 7 16.701 -6.594 14.341 1.00 31.42 C 552 | ATOM 145 N9 G A 7 17.716 -5.563 14.542 1.00 31.29 N 553 | ATOM 146 C8 G A 7 18.280 -4.743 13.588 1.00 31.64 C 554 | ATOM 147 N7 G A 7 19.144 -3.886 14.052 1.00 30.20 N 555 | ATOM 148 C5 G A 7 19.160 -4.167 15.415 1.00 32.60 C 556 | ATOM 149 C6 G A 7 19.917 -3.563 16.450 1.00 34.04 C 557 | ATOM 150 O6 G A 7 20.746 -2.651 16.329 1.00 36.60 O 558 | ATOM 151 N1 G A 7 19.648 -4.111 17.713 1.00 33.21 N 559 | ATOM 152 C2 G A 7 18.738 -5.127 17.933 1.00 32.86 C 560 | ATOM 153 N2 G A 7 18.606 -5.528 19.204 1.00 29.86 N 561 | ATOM 154 N3 G A 7 18.017 -5.709 16.962 1.00 31.39 N 562 | ATOM 155 C4 G A 7 18.283 -5.185 15.737 1.00 31.12 C 563 | ATOM 156 P A A 8 12.623 -4.205 13.056 1.00 36.20 P 564 | ATOM 157 OP1 A A 8 13.080 -3.587 11.784 1.00 36.94 O 565 | ATOM 158 OP2 A A 8 12.532 -3.427 14.297 1.00 35.47 O 566 | ATOM 159 O5' A A 8 11.232 -4.903 12.765 1.00 36.27 O 567 | ATOM 160 C5' A A 8 11.087 -5.840 11.713 1.00 36.24 C 568 | ATOM 161 C4' A A 8 9.696 -6.431 11.825 1.00 38.34 C 569 | ATOM 162 O4' A A 8 9.548 -6.966 13.160 1.00 38.10 O 570 | ATOM 163 C3' A A 8 8.541 -5.432 11.740 1.00 39.23 C 571 | ATOM 164 O3' A A 8 8.199 -5.122 10.406 1.00 41.84 O 572 | ATOM 165 C2' A A 8 7.411 -6.160 12.453 1.00 39.18 C 573 | ATOM 166 O2' A A 8 6.837 -7.218 11.712 1.00 39.67 O 574 | ATOM 167 C1' A A 8 8.203 -6.782 13.580 1.00 38.66 C 575 | ATOM 168 N9 A A 8 8.172 -6.166 14.897 1.00 38.55 N 576 | ATOM 169 C8 A A 8 9.209 -5.600 15.577 1.00 37.82 C 577 | ATOM 170 N7 A A 8 8.895 -5.187 16.782 1.00 37.50 N 578 | ATOM 171 C5 A A 8 7.556 -5.520 16.893 1.00 39.14 C 579 | ATOM 172 C6 A A 8 6.614 -5.359 17.925 1.00 39.00 C 580 | ATOM 173 N6 A A 8 6.913 -4.799 19.094 1.00 39.94 N 581 | ATOM 174 N1 A A 8 5.354 -5.789 17.715 1.00 39.56 N 582 | ATOM 175 C2 A A 8 5.044 -6.356 16.548 1.00 39.32 C 583 | ATOM 176 N3 A A 8 5.843 -6.570 15.508 1.00 40.54 N 584 | ATOM 177 C4 A A 8 7.093 -6.123 15.743 1.00 39.20 C 585 | ATOM 178 P A A 9 7.975 -3.597 9.973 1.00 43.93 P 586 | ATOM 179 OP1 A A 9 7.993 -3.592 8.487 1.00 44.15 O 587 | ATOM 180 OP2 A A 9 8.922 -2.714 10.698 1.00 44.18 O 588 | ATOM 181 O5' A A 9 6.503 -3.271 10.550 1.00 45.36 O 589 | ATOM 182 C5' A A 9 5.323 -4.015 10.198 1.00 46.92 C 590 | ATOM 183 C4' A A 9 4.224 -3.773 11.220 1.00 48.12 C 591 | ATOM 184 O4' A A 9 4.546 -4.421 12.489 1.00 48.08 O 592 | ATOM 185 C3' A A 9 4.030 -2.317 11.608 1.00 49.11 C 593 | ATOM 186 O3' A A 9 3.248 -1.605 10.648 1.00 51.81 O 594 | ATOM 187 C2' A A 9 3.359 -2.439 12.977 1.00 48.18 C 595 | ATOM 188 O2' A A 9 1.982 -2.748 12.919 1.00 48.53 O 596 | ATOM 189 C1' A A 9 4.134 -3.607 13.579 1.00 46.70 C 597 | ATOM 190 N9 A A 9 5.293 -3.129 14.329 1.00 44.16 N 598 | ATOM 191 C8 A A 9 6.549 -2.882 13.837 1.00 43.50 C 599 | ATOM 192 N7 A A 9 7.397 -2.457 14.740 1.00 43.37 N 600 | ATOM 193 C5 A A 9 6.637 -2.403 15.899 1.00 43.10 C 601 | ATOM 194 C6 A A 9 6.950 -2.027 17.222 1.00 43.18 C 602 | ATOM 195 N6 A A 9 8.157 -1.611 17.596 1.00 43.39 N 603 | ATOM 196 N1 A A 9 5.971 -2.094 18.151 1.00 44.10 N 604 | ATOM 197 C2 A A 9 4.746 -2.511 17.778 1.00 43.65 C 605 | ATOM 198 N3 A A 9 4.338 -2.892 16.566 1.00 43.82 N 606 | ATOM 199 C4 A A 9 5.338 -2.815 15.664 1.00 43.12 C 607 | ATOM 200 P A A 10 3.438 -0.016 10.505 1.00 54.28 P 608 | ATOM 201 OP1 A A 10 3.035 0.357 9.130 1.00 56.04 O 609 | ATOM 202 OP2 A A 10 4.756 0.425 11.019 1.00 54.08 O 610 | ATOM 203 O5' A A 10 2.299 0.475 11.522 1.00 54.53 O 611 | ATOM 204 C5' A A 10 2.542 1.519 12.417 1.00 53.97 C 612 | ATOM 205 C4' A A 10 1.619 1.409 13.606 1.00 54.19 C 613 | ATOM 206 O4' A A 10 1.991 0.287 14.436 1.00 54.42 O 614 | ATOM 207 C3' A A 10 1.804 2.584 14.529 1.00 55.50 C 615 | ATOM 208 O3' A A 10 0.970 3.623 14.111 1.00 56.90 O 616 | ATOM 209 C2' A A 10 1.435 2.025 15.893 1.00 54.99 C 617 | ATOM 210 O2' A A 10 0.055 1.847 16.086 1.00 57.42 O 618 | ATOM 211 C1' A A 10 2.103 0.676 15.795 1.00 53.01 C 619 | ATOM 212 N9 A A 10 3.489 0.802 16.217 1.00 50.70 N 620 | ATOM 213 C8 A A 10 4.611 0.822 15.437 1.00 49.99 C 621 | ATOM 214 N7 A A 10 5.717 0.972 16.122 1.00 49.46 N 622 | ATOM 215 C5 A A 10 5.295 1.058 17.433 1.00 48.42 C 623 | ATOM 216 C6 A A 10 5.983 1.215 18.649 1.00 47.79 C 624 | ATOM 217 N6 A A 10 7.308 1.317 18.727 1.00 47.03 N 625 | ATOM 218 N1 A A 10 5.254 1.263 19.789 1.00 48.70 N 626 | ATOM 219 C2 A A 10 3.920 1.158 19.722 1.00 48.02 C 627 | ATOM 220 N3 A A 10 3.167 1.007 18.633 1.00 48.31 N 628 | ATOM 221 C4 A A 10 3.919 0.962 17.514 1.00 49.32 C 629 | ATOM 222 P G A 11 1.610 5.076 13.962 1.00 59.81 P 630 | ATOM 223 OP1 G A 11 0.601 5.869 13.214 1.00 59.67 O 631 | ATOM 224 OP2 G A 11 2.984 4.986 13.409 1.00 58.40 O 632 | ATOM 225 O5' G A 11 1.649 5.551 15.499 1.00 58.79 O 633 | ATOM 226 C5' G A 11 0.379 5.666 16.152 1.00 60.12 C 634 | ATOM 227 C4' G A 11 0.521 5.758 17.647 1.00 61.06 C 635 | ATOM 228 O4' G A 11 1.130 4.543 18.148 1.00 60.91 O 636 | ATOM 229 C3' G A 11 1.473 6.842 18.128 1.00 61.88 C 637 | ATOM 230 O3' G A 11 0.874 8.120 18.086 1.00 64.81 O 638 | ATOM 231 C2' G A 11 1.720 6.357 19.549 1.00 60.61 C 639 | ATOM 232 O2' G A 11 0.631 6.562 20.433 1.00 59.89 O 640 | ATOM 233 C1' G A 11 1.972 4.878 19.242 1.00 59.24 C 641 | ATOM 234 N9 G A 11 3.387 4.718 18.905 1.00 56.77 N 642 | ATOM 235 C8 G A 11 3.981 4.583 17.671 1.00 55.36 C 643 | ATOM 236 N7 G A 11 5.279 4.502 17.725 1.00 53.88 N 644 | ATOM 237 C5 G A 11 5.567 4.597 19.081 1.00 54.23 C 645 | ATOM 238 C6 G A 11 6.805 4.567 19.775 1.00 53.30 C 646 | ATOM 239 O6 G A 11 7.940 4.448 19.293 1.00 53.07 O 647 | ATOM 240 N1 G A 11 6.643 4.701 21.160 1.00 52.41 N 648 | ATOM 241 C2 G A 11 5.431 4.844 21.793 1.00 52.48 C 649 | ATOM 242 N2 G A 11 5.434 4.956 23.121 1.00 52.37 N 650 | ATOM 243 N3 G A 11 4.272 4.864 21.163 1.00 53.68 N 651 | ATOM 244 C4 G A 11 4.414 4.739 19.816 1.00 55.13 C 652 | ATOM 245 P G A 12 1.749 9.405 17.691 1.00 66.79 P 653 | ATOM 246 OP1 G A 12 0.786 10.516 17.517 1.00 68.19 O 654 | ATOM 247 OP2 G A 12 2.673 9.072 16.589 1.00 67.09 O 655 | ATOM 248 O5' G A 12 2.634 9.674 18.995 1.00 66.62 O 656 | ATOM 249 C5' G A 12 1.996 9.979 20.223 1.00 66.51 C 657 | ATOM 250 C4' G A 12 2.996 9.858 21.348 1.00 67.25 C 658 | ATOM 251 O4' G A 12 3.582 8.530 21.345 1.00 66.31 O 659 | ATOM 252 C3' G A 12 4.208 10.776 21.246 1.00 68.12 C 660 | ATOM 253 O3' G A 12 3.910 12.113 21.616 1.00 70.62 O 661 | ATOM 254 C2' G A 12 5.120 10.094 22.257 1.00 67.60 C 662 | ATOM 255 O2' G A 12 4.789 10.355 23.606 1.00 68.35 O 663 | ATOM 256 C1' G A 12 4.886 8.626 21.893 1.00 66.02 C 664 | ATOM 257 N9 G A 12 5.883 8.240 20.905 1.00 63.77 N 665 | ATOM 258 C8 G A 12 5.707 8.014 19.558 1.00 63.21 C 666 | ATOM 259 N7 G A 12 6.817 7.709 18.943 1.00 62.42 N 667 | ATOM 260 C5 G A 12 7.783 7.745 19.944 1.00 61.26 C 668 | ATOM 261 C6 G A 12 9.174 7.498 19.893 1.00 60.20 C 669 | ATOM 262 O6 G A 12 9.845 7.186 18.904 1.00 60.10 O 670 | ATOM 263 N1 G A 12 9.789 7.652 21.137 1.00 59.66 N 671 | ATOM 264 C2 G A 12 9.132 7.996 22.296 1.00 59.34 C 672 | ATOM 265 N2 G A 12 9.856 8.098 23.412 1.00 58.70 N 673 | ATOM 266 N3 G A 12 7.832 8.216 22.360 1.00 60.74 N 674 | ATOM 267 C4 G A 12 7.223 8.076 21.154 1.00 61.97 C 675 | ATOM 268 P A A 13 4.683 13.350 20.948 1.00 73.07 P 676 | ATOM 269 OP1 A A 13 3.959 14.574 21.366 1.00 73.50 O 677 | ATOM 270 OP2 A A 13 4.891 13.093 19.504 1.00 72.77 O 678 | ATOM 271 O5' A A 13 6.127 13.331 21.636 1.00 73.62 O 679 | ATOM 272 C5' A A 13 6.312 13.627 23.018 1.00 74.29 C 680 | ATOM 273 C4' A A 13 7.754 13.365 23.412 1.00 75.10 C 681 | ATOM 274 O4' A A 13 8.077 11.965 23.193 1.00 74.47 O 682 | ATOM 275 C3' A A 13 8.809 14.063 22.567 1.00 76.10 C 683 | ATOM 276 O3' A A 13 8.964 15.435 22.890 1.00 79.16 O 684 | ATOM 277 C2' A A 13 10.035 13.233 22.918 1.00 75.04 C 685 | ATOM 278 O2' A A 13 10.495 13.444 24.239 1.00 75.33 O 686 | ATOM 279 C1' A A 13 9.430 11.843 22.777 1.00 73.59 C 687 | ATOM 280 N9 A A 13 9.526 11.345 21.398 1.00 71.77 N 688 | ATOM 281 C8 A A 13 8.528 11.275 20.457 1.00 70.53 C 689 | ATOM 282 N7 A A 13 8.920 10.792 19.302 1.00 69.68 N 690 | ATOM 283 C5 A A 13 10.272 10.528 19.490 1.00 69.55 C 691 | ATOM 284 C6 A A 13 11.275 9.996 18.644 1.00 68.38 C 692 | ATOM 285 N6 A A 13 11.048 9.625 17.381 1.00 67.25 N 693 | ATOM 286 N1 A A 13 12.525 9.868 19.143 1.00 68.15 N 694 | ATOM 287 C2 A A 13 12.766 10.239 20.409 1.00 68.36 C 695 | ATOM 288 N3 A A 13 11.908 10.742 21.298 1.00 69.44 N 696 | ATOM 289 C4 A A 13 10.665 10.864 20.776 1.00 70.35 C 697 | ATOM 290 P U A 14 9.039 16.484 21.680 1.00 81.73 P 698 | ATOM 291 OP1 U A 14 8.728 17.834 22.197 1.00 81.88 O 699 | ATOM 292 OP2 U A 14 8.217 15.935 20.577 1.00 82.21 O 700 | ATOM 293 O5' U A 14 10.573 16.430 21.218 1.00 83.11 O 701 | ATOM 294 C5' U A 14 11.660 16.443 22.154 1.00 85.21 C 702 | ATOM 295 C4' U A 14 12.918 15.836 21.550 1.00 86.44 C 703 | ATOM 296 O4' U A 14 12.719 14.421 21.272 1.00 86.08 O 704 | ATOM 297 C3' U A 14 13.326 16.391 20.189 1.00 87.36 C 705 | ATOM 298 O3' U A 14 13.902 17.705 20.259 1.00 89.20 O 706 | ATOM 299 C2' U A 14 14.269 15.284 19.712 1.00 86.57 C 707 | ATOM 300 O2' U A 14 15.527 15.272 20.359 1.00 86.11 O 708 | ATOM 301 C1' U A 14 13.441 14.055 20.102 1.00 86.04 C 709 | ATOM 302 N1 U A 14 12.516 13.621 18.980 1.00 85.40 N 710 | ATOM 303 C2 U A 14 13.010 12.843 17.937 1.00 84.97 C 711 | ATOM 304 O2 U A 14 14.161 12.451 17.859 1.00 84.92 O 712 | ATOM 305 N3 U A 14 12.094 12.525 16.963 1.00 84.66 N 713 | ATOM 306 C4 U A 14 10.757 12.894 16.925 1.00 85.31 C 714 | ATOM 307 O4 U A 14 10.051 12.538 15.987 1.00 85.62 O 715 | ATOM 308 C5 U A 14 10.307 13.704 18.031 1.00 85.26 C 716 | ATOM 309 C6 U A 14 11.186 14.024 18.992 1.00 85.47 C 717 | ATOM 310 P G A 15 13.568 18.801 19.123 1.00 91.16 P 718 | ATOM 311 OP1 G A 15 13.541 20.139 19.769 1.00 91.34 O 719 | ATOM 312 OP2 G A 15 12.388 18.372 18.327 1.00 90.40 O 720 | ATOM 313 O5' G A 15 14.888 18.691 18.216 1.00 91.69 O 721 | ATOM 314 C5' G A 15 14.797 18.276 16.863 1.00 92.29 C 722 | ATOM 315 C4' G A 15 16.075 17.630 16.363 1.00 92.53 C 723 | ATOM 316 O4' G A 15 16.081 16.214 16.695 1.00 92.34 O 724 | ATOM 317 C3' G A 15 16.172 17.670 14.844 1.00 92.92 C 725 | ATOM 318 O3' G A 15 16.917 18.791 14.419 1.00 93.82 O 726 | ATOM 319 C2' G A 15 16.808 16.338 14.467 1.00 92.55 C 727 | ATOM 320 O2' G A 15 18.216 16.331 14.598 1.00 92.71 O 728 | ATOM 321 C1' G A 15 16.140 15.439 15.506 1.00 92.12 C 729 | ATOM 322 N9 G A 15 14.786 15.011 15.119 1.00 91.36 N 730 | ATOM 323 C8 G A 15 13.597 15.322 15.743 1.00 90.87 C 731 | ATOM 324 N7 G A 15 12.547 14.802 15.174 1.00 90.43 N 732 | ATOM 325 C5 G A 15 13.061 14.097 14.098 1.00 89.94 C 733 | ATOM 326 C6 G A 15 12.392 13.326 13.117 1.00 89.40 C 734 | ATOM 327 O6 G A 15 11.175 13.115 13.009 1.00 88.70 O 735 | ATOM 328 N1 G A 15 13.287 12.777 12.197 1.00 89.44 N 736 | ATOM 329 C2 G A 15 14.653 12.953 12.226 1.00 89.72 C 737 | ATOM 330 N2 G A 15 15.361 12.348 11.263 1.00 89.45 N 738 | ATOM 331 N3 G A 15 15.287 13.673 13.141 1.00 90.19 N 739 | ATOM 332 C4 G A 15 14.434 14.217 14.046 1.00 90.50 C 740 | ATOM 333 P G A 16 16.154 19.896 13.542 1.00 94.54 P 741 | ATOM 334 OP1 G A 16 16.963 21.137 13.587 1.00 94.80 O 742 | ATOM 335 OP2 G A 16 14.726 19.923 13.951 1.00 94.14 O 743 | ATOM 336 O5' G A 16 16.240 19.288 12.063 1.00 94.05 O 744 | ATOM 337 C5' G A 16 17.489 18.828 11.530 1.00 92.78 C 745 | ATOM 338 C4' G A 16 17.245 17.966 10.309 1.00 91.68 C 746 | ATOM 339 O4' G A 16 16.686 16.689 10.712 1.00 90.94 O 747 | ATOM 340 C3' G A 16 16.211 18.513 9.335 1.00 91.19 C 748 | ATOM 341 O3' G A 16 16.754 19.545 8.515 1.00 91.38 O 749 | ATOM 342 C2' G A 16 15.868 17.252 8.556 1.00 90.75 C 750 | ATOM 343 O2' G A 16 16.842 16.911 7.588 1.00 90.91 O 751 | ATOM 344 C1' G A 16 15.832 16.216 9.680 1.00 90.29 C 752 | ATOM 345 N9 G A 16 14.470 16.007 10.182 1.00 89.00 N 753 | ATOM 346 C8 G A 16 13.924 16.455 11.365 1.00 88.56 C 754 | ATOM 347 N7 G A 16 12.674 16.116 11.527 1.00 87.73 N 755 | ATOM 348 C5 G A 16 12.367 15.396 10.380 1.00 87.37 C 756 | ATOM 349 C6 G A 16 11.155 14.768 9.986 1.00 86.92 C 757 | ATOM 350 O6 G A 16 10.077 14.726 10.600 1.00 86.55 O 758 | ATOM 351 N1 G A 16 11.275 14.143 8.740 1.00 86.61 N 759 | ATOM 352 C2 G A 16 12.421 14.128 7.972 1.00 86.36 C 760 | ATOM 353 N2 G A 16 12.356 13.480 6.802 1.00 85.73 N 761 | ATOM 354 N3 G A 16 13.558 14.712 8.331 1.00 86.73 N 762 | ATOM 355 C4 G A 16 13.461 15.323 9.541 1.00 87.74 C 763 | ATOM 356 P C A 17 15.806 20.699 7.919 1.00 91.72 P 764 | ATOM 357 OP1 C A 17 16.676 21.767 7.377 1.00 92.24 O 765 | ATOM 358 OP2 C A 17 14.775 21.049 8.926 1.00 91.27 O 766 | ATOM 359 O5' C A 17 15.084 19.974 6.689 1.00 91.09 O 767 | ATOM 360 C5' C A 17 15.832 19.464 5.580 1.00 89.76 C 768 | ATOM 361 C4' C A 17 14.963 18.566 4.716 1.00 88.83 C 769 | ATOM 362 O4' C A 17 14.475 17.412 5.465 1.00 88.50 O 770 | ATOM 363 C3' C A 17 13.673 19.199 4.221 1.00 88.13 C 771 | ATOM 364 O3' C A 17 13.907 20.129 3.173 1.00 87.63 O 772 | ATOM 365 C2' C A 17 12.925 17.947 3.778 1.00 88.11 C 773 | ATOM 366 O2' C A 17 13.431 17.393 2.579 1.00 88.61 O 774 | ATOM 367 C1' C A 17 13.200 17.021 4.967 1.00 87.77 C 775 | ATOM 368 N1 C A 17 12.137 17.127 6.045 1.00 86.84 N 776 | ATOM 369 C2 C A 17 10.858 16.546 5.865 1.00 86.32 C 777 | ATOM 370 O2 C A 17 10.585 15.922 4.825 1.00 85.60 O 778 | ATOM 371 N3 C A 17 9.934 16.681 6.858 1.00 85.96 N 779 | ATOM 372 C4 C A 17 10.234 17.353 7.978 1.00 86.18 C 780 | ATOM 373 N4 C A 17 9.295 17.458 8.924 1.00 85.78 N 781 | ATOM 374 C5 C A 17 11.515 17.953 8.181 1.00 86.25 C 782 | ATOM 375 C6 C A 17 12.417 17.814 7.202 1.00 86.52 C 783 | ATOM 376 P G A 18 13.068 21.498 3.114 1.00 86.69 P 784 | ATOM 377 OP1 G A 18 13.649 22.341 2.042 1.00 86.92 O 785 | ATOM 378 OP2 G A 18 12.950 22.044 4.486 1.00 86.71 O 786 | ATOM 379 O5' G A 18 11.612 21.002 2.668 1.00 85.43 O 787 | ATOM 380 C5' G A 18 11.394 20.413 1.388 1.00 83.05 C 788 | ATOM 381 C4' G A 18 10.076 19.664 1.377 1.00 81.59 C 789 | ATOM 382 O4' G A 18 10.021 18.683 2.444 1.00 80.26 O 790 | ATOM 383 C3' G A 18 8.839 20.489 1.686 1.00 80.98 C 791 | ATOM 384 O3' G A 18 8.489 21.365 0.645 1.00 81.15 O 792 | ATOM 385 C2' G A 18 7.833 19.365 1.857 1.00 80.85 C 793 | ATOM 386 O2' G A 18 7.478 18.730 0.642 1.00 81.90 O 794 | ATOM 387 C1' G A 18 8.656 18.436 2.748 1.00 79.82 C 795 | ATOM 388 N9 G A 18 8.354 18.712 4.153 1.00 78.44 N 796 | ATOM 389 C8 G A 18 9.109 19.400 5.075 1.00 77.69 C 797 | ATOM 390 N7 G A 18 8.541 19.485 6.247 1.00 77.18 N 798 | ATOM 391 C5 G A 18 7.330 18.814 6.096 1.00 77.21 C 799 | ATOM 392 C6 G A 18 6.274 18.566 7.019 1.00 76.86 C 800 | ATOM 393 O6 G A 18 6.199 18.909 8.208 1.00 76.28 O 801 | ATOM 394 N1 G A 18 5.216 17.846 6.447 1.00 76.77 N 802 | ATOM 395 C2 G A 18 5.181 17.414 5.140 1.00 76.65 C 803 | ATOM 396 N2 G A 18 4.094 16.734 4.751 1.00 76.39 N 804 | ATOM 397 N3 G A 18 6.160 17.638 4.271 1.00 77.25 N 805 | ATOM 398 C4 G A 18 7.199 18.338 4.809 1.00 77.77 C 806 | ATOM 399 P G A 19 8.223 22.899 1.018 1.00 81.56 P 807 | ATOM 400 OP1 G A 19 8.446 23.701 -0.204 1.00 81.78 O 808 | ATOM 401 OP2 G A 19 8.987 23.216 2.246 1.00 82.16 O 809 | ATOM 402 O5' G A 19 6.673 22.933 1.402 1.00 80.84 O 810 | ATOM 403 C5' G A 19 5.701 22.488 0.468 1.00 79.67 C 811 | ATOM 404 C4' G A 19 4.532 21.855 1.191 1.00 78.83 C 812 | ATOM 405 O4' G A 19 4.976 20.772 2.063 1.00 78.28 O 813 | ATOM 406 C3' G A 19 3.795 22.756 2.165 1.00 78.30 C 814 | ATOM 407 O3' G A 19 2.979 23.749 1.556 1.00 78.79 O 815 | ATOM 408 C2' G A 19 2.982 21.682 2.873 1.00 77.69 C 816 | ATOM 409 O2' G A 19 1.912 21.186 2.092 1.00 77.88 O 817 | ATOM 410 C1' G A 19 4.091 20.660 3.170 1.00 77.00 C 818 | ATOM 411 N9 G A 19 4.760 21.056 4.419 1.00 74.92 N 819 | ATOM 412 C8 G A 19 6.036 21.550 4.562 1.00 73.87 C 820 | ATOM 413 N7 G A 19 6.346 21.849 5.792 1.00 72.93 N 821 | ATOM 414 C5 G A 19 5.203 21.553 6.523 1.00 72.78 C 822 | ATOM 415 C6 G A 19 4.940 21.677 7.917 1.00 72.20 C 823 | ATOM 416 O6 G A 19 5.701 22.087 8.807 1.00 71.56 O 824 | ATOM 417 N1 G A 19 3.648 21.262 8.255 1.00 71.77 N 825 | ATOM 418 C2 G A 19 2.721 20.785 7.354 1.00 71.87 C 826 | ATOM 419 N2 G A 19 1.527 20.433 7.849 1.00 71.44 N 827 | ATOM 420 N3 G A 19 2.956 20.666 6.051 1.00 72.62 N 828 | ATOM 421 C4 G A 19 4.215 21.061 5.696 1.00 73.53 C 829 | ATOM 422 P A A 20 3.334 25.306 1.750 1.00 79.27 P 830 | ATOM 423 OP1 A A 20 2.702 26.039 0.630 1.00 79.18 O 831 | ATOM 424 OP2 A A 20 4.800 25.401 1.962 1.00 79.40 O 832 | ATOM 425 O5' A A 20 2.611 25.759 3.111 1.00 78.44 O 833 | ATOM 426 C5' A A 20 3.068 26.919 3.836 1.00 77.19 C 834 | ATOM 427 C4' A A 20 2.008 27.426 4.801 1.00 76.57 C 835 | ATOM 428 O4' A A 20 0.839 27.766 4.013 1.00 76.55 O 836 | ATOM 429 C3' A A 20 1.478 26.423 5.829 1.00 76.28 C 837 | ATOM 430 O3' A A 20 2.215 26.374 7.064 1.00 76.71 O 838 | ATOM 431 C2' A A 20 0.054 26.898 6.058 1.00 75.86 C 839 | ATOM 432 O2' A A 20 0.031 28.025 6.911 1.00 75.48 O 840 | ATOM 433 C1' A A 20 -0.349 27.298 4.642 1.00 75.61 C 841 | ATOM 434 N9 A A 20 -1.008 26.272 3.806 1.00 74.41 N 842 | ATOM 435 C8 A A 20 -0.493 25.654 2.694 1.00 73.88 C 843 | ATOM 436 N7 A A 20 -1.306 24.792 2.121 1.00 73.21 N 844 | ATOM 437 C5 A A 20 -2.448 24.843 2.907 1.00 73.27 C 845 | ATOM 438 C6 A A 20 -3.693 24.162 2.836 1.00 72.95 C 846 | ATOM 439 N6 A A 20 -3.987 23.260 1.889 1.00 72.41 N 847 | ATOM 440 N1 A A 20 -4.628 24.442 3.779 1.00 72.59 N 848 | ATOM 441 C2 A A 20 -4.334 25.346 4.729 1.00 72.33 C 849 | ATOM 442 N3 A A 20 -3.205 26.045 4.897 1.00 72.70 N 850 | ATOM 443 C4 A A 20 -2.288 25.752 3.948 1.00 73.57 C 851 | ATOM 444 P A A 21 2.650 24.956 7.704 1.00 77.40 P 852 | ATOM 445 OP1 A A 21 3.267 25.225 9.029 1.00 77.21 O 853 | ATOM 446 OP2 A A 21 3.429 24.224 6.677 1.00 76.61 O 854 | ATOM 447 O5' A A 21 1.277 24.165 7.937 1.00 76.72 O 855 | ATOM 448 C5' A A 21 0.498 24.431 9.098 1.00 76.67 C 856 | ATOM 449 C4' A A 21 -0.948 24.026 8.916 1.00 76.62 C 857 | ATOM 450 O4' A A 21 -1.369 24.259 7.549 1.00 76.80 O 858 | ATOM 451 C3' A A 21 -1.209 22.550 9.155 1.00 76.79 C 859 | ATOM 452 O3' A A 21 -1.428 22.353 10.546 1.00 76.83 O 860 | ATOM 453 C2' A A 21 -2.467 22.299 8.322 1.00 76.74 C 861 | ATOM 454 O2' A A 21 -3.672 22.576 9.008 1.00 76.92 O 862 | ATOM 455 C1' A A 21 -2.316 23.276 7.162 1.00 76.64 C 863 | ATOM 456 N9 A A 21 -1.882 22.636 5.919 1.00 76.19 N 864 | ATOM 457 C8 A A 21 -0.630 22.662 5.387 1.00 75.77 C 865 | ATOM 458 N7 A A 21 -0.504 22.014 4.255 1.00 75.55 N 866 | ATOM 459 C5 A A 21 -1.776 21.517 4.023 1.00 75.46 C 867 | ATOM 460 C6 A A 21 -2.316 20.732 2.979 1.00 75.23 C 868 | ATOM 461 N6 A A 21 -1.594 20.300 1.941 1.00 74.87 N 869 | ATOM 462 N1 A A 21 -3.629 20.409 3.047 1.00 75.44 N 870 | ATOM 463 C2 A A 21 -4.351 20.843 4.094 1.00 75.65 C 871 | ATOM 464 N3 A A 21 -3.952 21.586 5.134 1.00 75.54 N 872 | ATOM 465 C4 A A 21 -2.642 21.890 5.040 1.00 75.76 C 873 | ATOM 466 P A A 22 -0.916 21.037 11.307 1.00 76.68 P 874 | ATOM 467 OP1 A A 22 -1.200 21.262 12.741 1.00 75.93 O 875 | ATOM 468 OP2 A A 22 0.469 20.737 10.865 1.00 76.30 O 876 | ATOM 469 O5' A A 22 -1.874 19.870 10.750 1.00 77.22 O 877 | ATOM 470 C5' A A 22 -3.266 19.787 11.109 1.00 77.37 C 878 | ATOM 471 C4' A A 22 -4.058 18.885 10.173 1.00 77.32 C 879 | ATOM 472 O4' A A 22 -4.067 19.433 8.828 1.00 76.73 O 880 | ATOM 473 C3' A A 22 -3.501 17.478 10.008 1.00 77.56 C 881 | ATOM 474 O3' A A 22 -3.956 16.601 11.044 1.00 78.49 O 882 | ATOM 475 C2' A A 22 -4.026 17.080 8.627 1.00 77.21 C 883 | ATOM 476 O2' A A 22 -5.362 16.598 8.640 1.00 76.87 O 884 | ATOM 477 C1' A A 22 -3.889 18.401 7.871 1.00 76.84 C 885 | ATOM 478 N9 A A 22 -2.592 18.555 7.192 1.00 76.50 N 886 | ATOM 479 C8 A A 22 -1.468 19.168 7.677 1.00 76.27 C 887 | ATOM 480 N7 A A 22 -0.445 19.163 6.856 1.00 76.07 N 888 | ATOM 481 C5 A A 22 -0.917 18.490 5.741 1.00 76.10 C 889 | ATOM 482 C6 A A 22 -0.314 18.144 4.502 1.00 75.81 C 890 | ATOM 483 N6 A A 22 0.950 18.443 4.172 1.00 74.69 N 891 | ATOM 484 N1 A A 22 -1.072 17.469 3.605 1.00 76.43 N 892 | ATOM 485 C2 A A 22 -2.343 17.162 3.922 1.00 76.48 C 893 | ATOM 486 N3 A A 22 -3.013 17.435 5.049 1.00 76.44 N 894 | ATOM 487 C4 A A 22 -2.241 18.107 5.931 1.00 76.44 C 895 | ATOM 488 P C A 23 -2.911 15.878 12.022 1.00 78.24 P 896 | ATOM 489 OP1 C A 23 -3.667 14.941 12.881 1.00 78.31 O 897 | ATOM 490 OP2 C A 23 -2.089 16.953 12.629 1.00 78.24 O 898 | ATOM 491 O5' C A 23 -1.951 15.017 11.071 1.00 78.30 O 899 | ATOM 492 C5' C A 23 -2.448 13.956 10.265 1.00 78.20 C 900 | ATOM 493 C4' C A 23 -1.822 14.007 8.881 1.00 78.48 C 901 | ATOM 494 O4' C A 23 -1.492 15.372 8.499 1.00 77.87 O 902 | ATOM 495 C3' C A 23 -0.498 13.279 8.731 1.00 78.81 C 903 | ATOM 496 O3' C A 23 -0.713 11.887 8.601 1.00 80.42 O 904 | ATOM 497 C2' C A 23 0.006 13.905 7.436 1.00 78.45 C 905 | ATOM 498 O2' C A 23 -0.644 13.416 6.277 1.00 78.51 O 906 | ATOM 499 C1' C A 23 -0.355 15.373 7.656 1.00 77.54 C 907 | ATOM 500 N1 C A 23 0.770 16.152 8.276 1.00 76.53 N 908 | ATOM 501 C2 C A 23 1.913 16.456 7.509 1.00 76.11 C 909 | ATOM 502 O2 C A 23 1.984 16.089 6.327 1.00 75.82 O 910 | ATOM 503 N3 C A 23 2.924 17.157 8.089 1.00 75.66 N 911 | ATOM 504 C4 C A 23 2.828 17.544 9.364 1.00 75.38 C 912 | ATOM 505 N4 C A 23 3.848 18.231 9.879 1.00 75.67 N 913 | ATOM 506 C5 C A 23 1.683 17.247 10.165 1.00 75.71 C 914 | ATOM 507 C6 C A 23 0.691 16.557 9.585 1.00 76.25 C 915 | ATOM 508 P G A 24 0.416 10.812 8.985 1.00 81.24 P 916 | ATOM 509 OP1 G A 24 -0.283 9.508 9.034 1.00 80.94 O 917 | ATOM 510 OP2 G A 24 1.164 11.288 10.174 1.00 80.85 O 918 | ATOM 511 O5' G A 24 1.426 10.856 7.732 1.00 81.62 O 919 | ATOM 512 C5' G A 24 1.032 10.365 6.444 1.00 81.80 C 920 | ATOM 513 C4' G A 24 1.974 10.807 5.335 1.00 82.43 C 921 | ATOM 514 O4' G A 24 2.126 12.250 5.338 1.00 82.49 O 922 | ATOM 515 C3' G A 24 3.415 10.321 5.416 1.00 83.14 C 923 | ATOM 516 O3' G A 24 3.542 8.974 4.991 1.00 84.71 O 924 | ATOM 517 C2' G A 24 4.094 11.294 4.458 1.00 82.72 C 925 | ATOM 518 O2' G A 24 3.814 11.044 3.092 1.00 82.54 O 926 | ATOM 519 C1' G A 24 3.432 12.595 4.897 1.00 81.96 C 927 | ATOM 520 N9 G A 24 4.144 13.284 5.978 1.00 80.78 N 928 | ATOM 521 C8 G A 24 3.728 13.426 7.285 1.00 80.31 C 929 | ATOM 522 N7 G A 24 4.562 14.094 8.033 1.00 79.89 N 930 | ATOM 523 C5 G A 24 5.600 14.419 7.165 1.00 79.51 C 931 | ATOM 524 C6 G A 24 6.794 15.141 7.408 1.00 78.71 C 932 | ATOM 525 O6 G A 24 7.163 15.639 8.477 1.00 78.48 O 933 | ATOM 526 N1 G A 24 7.593 15.252 6.265 1.00 78.23 N 934 | ATOM 527 C2 G A 24 7.274 14.722 5.032 1.00 78.05 C 935 | ATOM 528 N2 G A 24 8.156 14.923 4.041 1.00 77.07 N 936 | ATOM 529 N3 G A 24 6.153 14.044 4.792 1.00 78.86 N 937 | ATOM 530 C4 G A 24 5.364 13.928 5.897 1.00 79.77 C 938 | ATOM 531 P C A 25 4.362 7.927 5.886 1.00 85.49 P 939 | ATOM 532 OP1 C A 25 4.125 6.583 5.308 1.00 85.66 O 940 | ATOM 533 OP2 C A 25 4.053 8.185 7.313 1.00 85.79 O 941 | ATOM 534 O5' C A 25 5.890 8.345 5.646 1.00 85.89 O 942 | ATOM 535 C5' C A 25 6.524 8.100 4.391 1.00 85.89 C 943 | ATOM 536 C4' C A 25 7.660 9.076 4.149 1.00 85.91 C 944 | ATOM 537 O4' C A 25 7.246 10.430 4.470 1.00 85.80 O 945 | ATOM 538 C3' C A 25 8.890 8.884 5.022 1.00 85.92 C 946 | ATOM 539 O3' C A 25 9.690 7.815 4.567 1.00 85.98 O 947 | ATOM 540 C2' C A 25 9.574 10.232 4.849 1.00 86.08 C 948 | ATOM 541 O2' C A 25 10.204 10.398 3.590 1.00 86.29 O 949 | ATOM 542 C1' C A 25 8.359 11.151 4.980 1.00 85.84 C 950 | ATOM 543 N1 C A 25 8.105 11.577 6.403 1.00 85.72 N 951 | ATOM 544 C2 C A 25 9.004 12.459 7.039 1.00 85.60 C 952 | ATOM 545 O2 C A 25 9.992 12.885 6.425 1.00 85.24 O 953 | ATOM 546 N3 C A 25 8.766 12.833 8.326 1.00 85.36 N 954 | ATOM 547 C4 C A 25 7.693 12.366 8.974 1.00 85.72 C 955 | ATOM 548 N4 C A 25 7.509 12.766 10.238 1.00 85.87 N 956 | ATOM 549 C5 C A 25 6.768 11.465 8.352 1.00 85.88 C 957 | ATOM 550 C6 C A 25 7.011 11.103 7.083 1.00 85.75 C 958 | ATOM 551 P C A 26 10.070 6.626 5.579 1.00 86.09 P 959 | ATOM 552 OP1 C A 26 9.767 5.351 4.892 1.00 85.83 O 960 | ATOM 553 OP2 C A 26 9.451 6.903 6.901 1.00 85.95 O 961 | ATOM 554 O5' C A 26 11.662 6.750 5.747 1.00 84.99 O 962 | ATOM 555 C5' C A 26 12.470 7.559 4.886 1.00 83.22 C 963 | ATOM 556 C4' C A 26 13.387 8.471 5.685 1.00 81.69 C 964 | ATOM 557 O4' C A 26 12.656 9.630 6.155 1.00 81.14 O 965 | ATOM 558 C3' C A 26 13.962 7.889 6.969 1.00 80.74 C 966 | ATOM 559 O3' C A 26 15.041 7.014 6.695 1.00 79.55 O 967 | ATOM 560 C2' C A 26 14.417 9.152 7.690 1.00 80.88 C 968 | ATOM 561 O2' C A 26 15.672 9.639 7.243 1.00 80.50 O 969 | ATOM 562 C1' C A 26 13.284 10.121 7.332 1.00 81.01 C 970 | ATOM 563 N1 C A 26 12.269 10.286 8.440 1.00 81.00 N 971 | ATOM 564 C2 C A 26 12.590 11.033 9.593 1.00 81.04 C 972 | ATOM 565 O2 C A 26 13.705 11.557 9.699 1.00 80.67 O 973 | ATOM 566 N3 C A 26 11.662 11.167 10.581 1.00 81.03 N 974 | ATOM 567 C4 C A 26 10.458 10.595 10.456 1.00 81.11 C 975 | ATOM 568 N4 C A 26 9.581 10.754 11.453 1.00 81.01 N 976 | ATOM 569 C5 C A 26 10.107 9.830 9.298 1.00 81.12 C 977 | ATOM 570 C6 C A 26 11.031 9.706 8.329 1.00 81.13 C 978 | ATOM 571 P A A 27 15.319 5.736 7.619 1.00 78.38 P 979 | ATOM 572 OP1 A A 27 16.173 4.834 6.820 1.00 78.67 O 980 | ATOM 573 OP2 A A 27 14.031 5.237 8.155 1.00 78.10 O 981 | ATOM 574 O5' A A 27 16.185 6.315 8.836 1.00 77.70 O 982 | ATOM 575 C5' A A 27 17.449 6.926 8.605 1.00 77.13 C 983 | ATOM 576 C4' A A 27 17.935 7.595 9.872 1.00 77.01 C 984 | ATOM 577 O4' A A 27 17.082 8.711 10.201 1.00 77.43 O 985 | ATOM 578 C3' A A 27 17.836 6.718 11.102 1.00 76.81 C 986 | ATOM 579 O3' A A 27 18.985 5.909 11.169 1.00 77.15 O 987 | ATOM 580 C2' A A 27 17.772 7.714 12.253 1.00 77.00 C 988 | ATOM 581 O2' A A 27 19.041 8.088 12.750 1.00 76.22 O 989 | ATOM 582 C1' A A 27 17.087 8.911 11.605 1.00 77.53 C 990 | ATOM 583 N9 A A 27 15.712 9.106 12.059 1.00 78.45 N 991 | ATOM 584 C8 A A 27 14.573 8.730 11.401 1.00 78.92 C 992 | ATOM 585 N7 A A 27 13.464 9.038 12.034 1.00 79.15 N 993 | ATOM 586 C5 A A 27 13.903 9.661 13.192 1.00 79.08 C 994 | ATOM 587 C6 A A 27 13.210 10.226 14.289 1.00 78.75 C 995 | ATOM 588 N6 A A 27 11.876 10.243 14.382 1.00 77.41 N 996 | ATOM 589 N1 A A 27 13.950 10.775 15.284 1.00 78.93 N 997 | ATOM 590 C2 A A 27 15.293 10.752 15.186 1.00 78.87 C 998 | ATOM 591 N3 A A 27 16.052 10.251 14.207 1.00 78.75 N 999 | ATOM 592 C4 A A 27 15.292 9.713 13.228 1.00 78.94 C 1000 | ATOM 593 P G A 28 18.856 4.333 11.426 1.00 76.87 P 1001 | ATOM 594 OP1 G A 28 20.046 3.706 10.792 1.00 76.37 O 1002 | ATOM 595 OP2 G A 28 17.490 3.887 11.053 1.00 76.63 O 1003 | ATOM 596 O5' G A 28 18.955 4.207 13.020 1.00 76.19 O 1004 | ATOM 597 C5' G A 28 20.217 4.013 13.659 1.00 75.78 C 1005 | ATOM 598 C4' G A 28 20.226 4.726 14.989 1.00 74.65 C 1006 | ATOM 599 O4' G A 28 19.478 5.957 14.826 1.00 75.53 O 1007 | ATOM 600 C3' G A 28 19.434 4.045 16.101 1.00 74.06 C 1008 | ATOM 601 O3' G A 28 20.020 2.874 16.741 1.00 70.83 O 1009 | ATOM 602 C2' G A 28 19.128 5.206 17.057 1.00 75.52 C 1010 | ATOM 603 O2' G A 28 20.222 5.676 17.839 1.00 76.61 O 1011 | ATOM 604 C1' G A 28 18.737 6.243 16.012 1.00 75.48 C 1012 | ATOM 605 N9 G A 28 17.292 6.298 15.758 1.00 74.98 N 1013 | ATOM 606 C8 G A 28 16.542 5.642 14.801 1.00 74.57 C 1014 | ATOM 607 N7 G A 28 15.269 5.930 14.852 1.00 74.02 N 1015 | ATOM 608 C5 G A 28 15.167 6.832 15.913 1.00 74.11 C 1016 | ATOM 609 C6 G A 28 14.044 7.505 16.469 1.00 73.44 C 1017 | ATOM 610 O6 G A 28 12.859 7.438 16.116 1.00 72.92 O 1018 | ATOM 611 N1 G A 28 14.389 8.328 17.544 1.00 72.94 N 1019 | ATOM 612 C2 G A 28 15.666 8.483 18.030 1.00 73.31 C 1020 | ATOM 613 N2 G A 28 15.829 9.309 19.071 1.00 73.39 N 1021 | ATOM 614 N3 G A 28 16.724 7.866 17.523 1.00 73.84 N 1022 | ATOM 615 C4 G A 28 16.404 7.062 16.476 1.00 74.22 C 1023 | ATOM 616 P A A 29 21.566 2.572 17.047 1.00 66.80 P 1024 | ATOM 617 OP1 A A 29 22.303 3.839 17.228 1.00 67.25 O 1025 | ATOM 618 OP2 A A 29 21.993 1.547 16.076 1.00 66.97 O 1026 | ATOM 619 O5' A A 29 21.536 1.819 18.449 1.00 64.83 O 1027 | ATOM 620 C5' A A 29 20.854 2.353 19.561 1.00 60.90 C 1028 | ATOM 621 C4' A A 29 20.307 1.227 20.418 1.00 58.05 C 1029 | ATOM 622 O4' A A 29 19.079 0.721 19.840 1.00 55.21 O 1030 | ATOM 623 C3' A A 29 21.205 0.013 20.600 1.00 57.71 C 1031 | ATOM 624 O3' A A 29 21.078 -0.410 21.947 1.00 61.62 O 1032 | ATOM 625 C2' A A 29 20.657 -1.006 19.593 1.00 54.94 C 1033 | ATOM 626 O2' A A 29 20.891 -2.363 19.932 1.00 52.97 O 1034 | ATOM 627 C1' A A 29 19.166 -0.675 19.631 1.00 51.98 C 1035 | ATOM 628 N9 A A 29 18.446 -0.946 18.391 1.00 45.90 N 1036 | ATOM 629 C8 A A 29 18.693 -0.391 17.161 1.00 44.72 C 1037 | ATOM 630 N7 A A 29 17.872 -0.819 16.229 1.00 42.98 N 1038 | ATOM 631 C5 A A 29 17.039 -1.699 16.901 1.00 40.05 C 1039 | ATOM 632 C6 A A 29 15.954 -2.479 16.476 1.00 39.09 C 1040 | ATOM 633 N6 A A 29 15.527 -2.487 15.211 1.00 39.55 N 1041 | ATOM 634 N1 A A 29 15.331 -3.256 17.391 1.00 38.68 N 1042 | ATOM 635 C2 A A 29 15.767 -3.242 18.658 1.00 38.19 C 1043 | ATOM 636 N3 A A 29 16.777 -2.541 19.167 1.00 39.13 N 1044 | ATOM 637 C4 A A 29 17.374 -1.790 18.231 1.00 40.86 C 1045 | ATOM 638 P U A 30 22.369 -0.843 22.787 1.00 64.85 P 1046 | ATOM 639 OP1 U A 30 22.385 -0.011 24.012 1.00 64.89 O 1047 | ATOM 640 OP2 U A 30 23.553 -0.893 21.900 1.00 65.51 O 1048 | ATOM 641 O5' U A 30 22.032 -2.347 23.175 1.00 67.16 O 1049 | ATOM 642 C5' U A 30 20.735 -2.674 23.615 1.00 70.58 C 1050 | ATOM 643 C4' U A 30 20.753 -3.191 25.038 1.00 73.18 C 1051 | ATOM 644 O4' U A 30 21.974 -2.873 25.766 1.00 76.07 O 1052 | ATOM 645 C3' U A 30 19.712 -2.566 25.940 1.00 73.45 C 1053 | ATOM 646 O3' U A 30 18.400 -2.941 25.562 1.00 69.92 O 1054 | ATOM 647 C2' U A 30 20.172 -3.195 27.252 1.00 76.20 C 1055 | ATOM 648 O2' U A 30 19.953 -4.596 27.327 1.00 76.58 O 1056 | ATOM 649 C1' U A 30 21.668 -2.882 27.158 1.00 78.23 C 1057 | ATOM 650 N1 U A 30 21.999 -1.562 27.824 1.00 81.64 N 1058 | ATOM 651 C2 U A 30 21.974 -1.468 29.216 1.00 83.08 C 1059 | ATOM 652 O2 U A 30 21.706 -2.406 29.954 1.00 83.62 O 1060 | ATOM 653 N3 U A 30 22.283 -0.217 29.724 1.00 83.81 N 1061 | ATOM 654 C4 U A 30 22.602 0.930 29.003 1.00 84.01 C 1062 | ATOM 655 O4 U A 30 22.856 1.979 29.590 1.00 83.76 O 1063 | ATOM 656 C5 U A 30 22.604 0.757 27.568 1.00 83.88 C 1064 | ATOM 657 C6 U A 30 22.308 -0.450 27.052 1.00 82.84 C 1065 | ATOM 658 P G A 31 17.209 -1.927 25.848 1.00 66.80 P 1066 | ATOM 659 OP1 G A 31 17.672 -0.958 26.871 1.00 67.91 O 1067 | ATOM 660 OP2 G A 31 15.974 -2.696 26.097 1.00 67.61 O 1068 | ATOM 661 O5' G A 31 17.044 -1.201 24.441 1.00 63.35 O 1069 | ATOM 662 C5' G A 31 17.499 0.119 24.378 1.00 58.20 C 1070 | ATOM 663 C4' G A 31 17.532 0.621 22.964 1.00 53.64 C 1071 | ATOM 664 O4' G A 31 16.700 -0.201 22.111 1.00 51.69 O 1072 | ATOM 665 C3' G A 31 16.998 2.038 22.858 1.00 51.97 C 1073 | ATOM 666 O3' G A 31 17.956 2.817 22.163 1.00 53.22 O 1074 | ATOM 667 C2' G A 31 15.697 1.866 22.084 1.00 49.60 C 1075 | ATOM 668 O2' G A 31 15.337 3.020 21.346 1.00 47.58 O 1076 | ATOM 669 C1' G A 31 16.076 0.674 21.208 1.00 47.36 C 1077 | ATOM 670 N9 G A 31 14.935 0.008 20.610 1.00 43.61 N 1078 | ATOM 671 C8 G A 31 13.998 -0.775 21.233 1.00 42.33 C 1079 | ATOM 672 N7 G A 31 13.081 -1.199 20.410 1.00 41.65 N 1080 | ATOM 673 C5 G A 31 13.436 -0.665 19.179 1.00 40.26 C 1081 | ATOM 674 C6 G A 31 12.819 -0.780 17.908 1.00 40.37 C 1082 | ATOM 675 O6 G A 31 11.798 -1.411 17.628 1.00 41.80 O 1083 | ATOM 676 N1 G A 31 13.499 -0.080 16.904 1.00 38.37 N 1084 | ATOM 677 C2 G A 31 14.647 0.642 17.135 1.00 37.44 C 1085 | ATOM 678 N2 G A 31 15.188 1.261 16.095 1.00 37.18 N 1086 | ATOM 679 N3 G A 31 15.227 0.762 18.317 1.00 38.79 N 1087 | ATOM 680 C4 G A 31 14.572 0.083 19.289 1.00 40.28 C 1088 | ATOM 681 P C A 32 18.948 3.774 22.970 1.00 53.86 P 1089 | ATOM 682 OP1 C A 32 19.767 4.471 21.954 1.00 53.97 O 1090 | ATOM 683 OP2 C A 32 19.602 2.971 24.029 1.00 53.60 O 1091 | ATOM 684 O5' C A 32 17.922 4.840 23.605 1.00 55.55 O 1092 | ATOM 685 C5' C A 32 18.096 5.476 24.870 1.00 57.42 C 1093 | ATOM 686 C4' C A 32 16.836 6.219 25.293 1.00 58.66 C 1094 | ATOM 687 O4' C A 32 16.511 7.284 24.355 1.00 59.29 O 1095 | ATOM 688 C3' C A 32 15.553 5.398 25.332 1.00 59.47 C 1096 | ATOM 689 O3' C A 32 15.483 4.547 26.473 1.00 60.36 O 1097 | ATOM 690 C2' C A 32 14.512 6.515 25.349 1.00 59.71 C 1098 | ATOM 691 O2' C A 32 14.305 7.108 26.619 1.00 61.14 O 1099 | ATOM 692 C1' C A 32 15.107 7.512 24.345 1.00 59.12 C 1100 | ATOM 693 N1 C A 32 14.519 7.249 22.981 1.00 58.47 N 1101 | ATOM 694 C2 C A 32 13.157 7.518 22.737 1.00 57.38 C 1102 | ATOM 695 O2 C A 32 12.443 7.995 23.626 1.00 56.51 O 1103 | ATOM 696 N3 C A 32 12.645 7.238 21.513 1.00 57.00 N 1104 | ATOM 697 C4 C A 32 13.417 6.715 20.561 1.00 56.39 C 1105 | ATOM 698 N4 C A 32 12.853 6.474 19.380 1.00 55.94 N 1106 | ATOM 699 C5 C A 32 14.796 6.424 20.775 1.00 56.89 C 1107 | ATOM 700 C6 C A 32 15.295 6.699 21.987 1.00 58.14 C 1108 | ATOM 701 P C A 33 14.582 3.219 26.437 1.00 61.61 P 1109 | ATOM 702 OP1 C A 33 15.006 2.325 27.536 1.00 62.13 O 1110 | ATOM 703 OP2 C A 33 14.543 2.675 25.061 1.00 61.47 O 1111 | ATOM 704 O5' C A 33 13.140 3.809 26.794 1.00 62.45 O 1112 | ATOM 705 C5' C A 33 12.837 4.420 28.063 1.00 61.62 C 1113 | ATOM 706 C4' C A 33 11.360 4.745 28.093 1.00 60.91 C 1114 | ATOM 707 O4' C A 33 11.107 5.725 27.054 1.00 60.67 O 1115 | ATOM 708 C3' C A 33 10.459 3.582 27.696 1.00 61.32 C 1116 | ATOM 709 O3' C A 33 10.106 2.707 28.759 1.00 62.25 O 1117 | ATOM 710 C2' C A 33 9.229 4.284 27.138 1.00 60.84 C 1118 | ATOM 711 O2' C A 33 8.329 4.692 28.147 1.00 61.01 O 1119 | ATOM 712 C1' C A 33 9.864 5.467 26.411 1.00 60.43 C 1120 | ATOM 713 N1 C A 33 10.032 5.173 24.930 1.00 60.10 N 1121 | ATOM 714 C2 C A 33 8.902 5.166 24.082 1.00 59.53 C 1122 | ATOM 715 O2 C A 33 7.774 5.414 24.536 1.00 59.38 O 1123 | ATOM 716 N3 C A 33 9.073 4.888 22.762 1.00 58.68 N 1124 | ATOM 717 C4 C A 33 10.286 4.622 22.274 1.00 58.34 C 1125 | ATOM 718 N4 C A 33 10.383 4.361 20.969 1.00 57.40 N 1126 | ATOM 719 C5 C A 33 11.447 4.610 23.108 1.00 58.83 C 1127 | ATOM 720 C6 C A 33 11.271 4.885 24.409 1.00 59.88 C 1128 | ATOM 721 P U A 34 9.907 1.153 28.391 1.00 63.98 P 1129 | ATOM 722 OP1 U A 34 10.618 0.359 29.422 1.00 64.29 O 1130 | ATOM 723 OP2 U A 34 10.290 0.989 26.972 1.00 64.03 O 1131 | ATOM 724 O5' U A 34 8.342 0.820 28.492 1.00 62.47 O 1132 | ATOM 725 C5' U A 34 7.353 1.775 28.843 1.00 61.58 C 1133 | ATOM 726 C4' U A 34 6.097 1.588 28.008 1.00 60.57 C 1134 | ATOM 727 O4' U A 34 6.103 2.502 26.882 1.00 60.16 O 1135 | ATOM 728 C3' U A 34 5.925 0.233 27.337 1.00 60.22 C 1136 | ATOM 729 O3' U A 34 5.517 -0.766 28.266 1.00 60.75 O 1137 | ATOM 730 C2' U A 34 4.861 0.583 26.306 1.00 60.07 C 1138 | ATOM 731 O2' U A 34 3.579 0.809 26.858 1.00 60.11 O 1139 | ATOM 732 C1' U A 34 5.402 1.913 25.797 1.00 59.14 C 1140 | ATOM 733 N1 U A 34 6.287 1.835 24.563 1.00 57.87 N 1141 | ATOM 734 C2 U A 34 5.700 1.732 23.305 1.00 56.93 C 1142 | ATOM 735 O2 U A 34 4.500 1.681 23.108 1.00 55.39 O 1143 | ATOM 736 N3 U A 34 6.579 1.683 22.247 1.00 56.27 N 1144 | ATOM 737 C4 U A 34 7.959 1.728 22.303 1.00 56.45 C 1145 | ATOM 738 O4 U A 34 8.601 1.666 21.257 1.00 55.98 O 1146 | ATOM 739 C5 U A 34 8.506 1.830 23.640 1.00 56.56 C 1147 | ATOM 740 C6 U A 34 7.672 1.880 24.692 1.00 57.08 C 1148 | ATOM 741 P U A 35 6.169 -2.240 28.220 1.00 61.33 P 1149 | ATOM 742 OP1 U A 35 5.860 -2.963 29.478 1.00 61.57 O 1150 | ATOM 743 OP2 U A 35 7.582 -2.129 27.791 1.00 61.96 O 1151 | ATOM 744 O5' U A 35 5.333 -2.912 27.047 1.00 59.33 O 1152 | ATOM 745 C5' U A 35 3.945 -3.170 27.212 1.00 57.25 C 1153 | ATOM 746 C4' U A 35 3.340 -3.365 25.842 1.00 55.01 C 1154 | ATOM 747 O4' U A 35 3.706 -2.258 24.985 1.00 54.27 O 1155 | ATOM 748 C3' U A 35 3.935 -4.534 25.099 1.00 54.47 C 1156 | ATOM 749 O3' U A 35 3.397 -5.747 25.591 1.00 54.00 O 1157 | ATOM 750 C2' U A 35 3.484 -4.216 23.676 1.00 54.16 C 1158 | ATOM 751 O2' U A 35 2.166 -4.675 23.396 1.00 54.30 O 1159 | ATOM 752 C1' U A 35 3.639 -2.689 23.642 1.00 52.70 C 1160 | ATOM 753 N1 U A 35 4.881 -2.281 22.912 1.00 50.77 N 1161 | ATOM 754 C2 U A 35 4.836 -2.224 21.524 1.00 50.41 C 1162 | ATOM 755 O2 U A 35 3.829 -2.474 20.874 1.00 50.90 O 1163 | ATOM 756 N3 U A 35 6.015 -1.865 20.915 1.00 47.98 N 1164 | ATOM 757 C4 U A 35 7.207 -1.565 21.544 1.00 47.95 C 1165 | ATOM 758 O4 U A 35 8.183 -1.258 20.862 1.00 47.10 O 1166 | ATOM 759 C5 U A 35 7.174 -1.639 22.991 1.00 47.95 C 1167 | ATOM 760 C6 U A 35 6.043 -1.996 23.610 1.00 47.94 C 1168 | ATOM 761 P G A 36 4.348 -7.014 25.755 1.00 53.91 P 1169 | ATOM 762 OP1 G A 36 3.517 -8.237 25.900 1.00 54.58 O 1170 | ATOM 763 OP2 G A 36 5.355 -6.689 26.782 1.00 54.25 O 1171 | ATOM 764 O5' G A 36 5.098 -7.048 24.333 1.00 52.61 O 1172 | ATOM 765 C5' G A 36 4.531 -7.651 23.164 1.00 48.66 C 1173 | ATOM 766 C4' G A 36 5.545 -7.586 22.038 1.00 45.87 C 1174 | ATOM 767 O4' G A 36 6.210 -6.291 22.021 1.00 45.49 O 1175 | ATOM 768 C3' G A 36 6.670 -8.612 22.166 1.00 44.07 C 1176 | ATOM 769 O3' G A 36 7.038 -9.038 20.874 1.00 42.87 O 1177 | ATOM 770 C2' G A 36 7.791 -7.809 22.807 1.00 42.65 C 1178 | ATOM 771 O2' G A 36 9.067 -8.373 22.590 1.00 43.29 O 1179 | ATOM 772 C1' G A 36 7.611 -6.526 22.006 1.00 43.39 C 1180 | ATOM 773 N9 G A 36 8.430 -5.414 22.506 1.00 40.94 N 1181 | ATOM 774 C8 G A 36 8.564 -4.989 23.806 1.00 39.96 C 1182 | ATOM 775 N7 G A 36 9.397 -3.993 23.934 1.00 39.36 N 1183 | ATOM 776 C5 G A 36 9.842 -3.745 22.646 1.00 39.07 C 1184 | ATOM 777 C6 G A 36 10.749 -2.782 22.163 1.00 38.20 C 1185 | ATOM 778 O6 G A 36 11.350 -1.939 22.827 1.00 40.02 O 1186 | ATOM 779 N1 G A 36 10.942 -2.851 20.782 1.00 37.00 N 1187 | ATOM 780 C2 G A 36 10.317 -3.751 19.961 1.00 37.47 C 1188 | ATOM 781 N2 G A 36 10.609 -3.691 18.652 1.00 37.29 N 1189 | ATOM 782 N3 G A 36 9.459 -4.660 20.403 1.00 38.41 N 1190 | ATOM 783 C4 G A 36 9.264 -4.610 21.751 1.00 39.41 C 1191 | ATOM 784 P U A 37 6.643 -10.499 20.422 1.00 42.05 P 1192 | ATOM 785 OP1 U A 37 5.168 -10.611 20.416 1.00 44.87 O 1193 | ATOM 786 OP2 U A 37 7.446 -11.437 21.227 1.00 42.59 O 1194 | ATOM 787 O5' U A 37 7.122 -10.560 18.901 1.00 42.30 O 1195 | ATOM 788 C5' U A 37 6.627 -9.678 17.890 1.00 38.78 C 1196 | ATOM 789 C4' U A 37 7.687 -9.470 16.814 1.00 37.55 C 1197 | ATOM 790 O4' U A 37 8.568 -8.411 17.263 1.00 36.66 O 1198 | ATOM 791 C3' U A 37 8.620 -10.636 16.479 1.00 36.91 C 1199 | ATOM 792 O3' U A 37 8.916 -10.632 15.061 1.00 38.97 O 1200 | ATOM 793 C2' U A 37 9.874 -10.294 17.295 1.00 35.89 C 1201 | ATOM 794 O2' U A 37 11.040 -10.923 16.797 1.00 35.51 O 1202 | ATOM 795 C1' U A 37 9.911 -8.787 17.057 1.00 35.20 C 1203 | ATOM 796 N1 U A 37 10.773 -7.913 17.947 1.00 33.81 N 1204 | ATOM 797 C2 U A 37 11.749 -7.110 17.361 1.00 33.14 C 1205 | ATOM 798 O2 U A 37 11.974 -7.068 16.157 1.00 32.41 O 1206 | ATOM 799 N3 U A 37 12.467 -6.348 18.248 1.00 32.87 N 1207 | ATOM 800 C4 U A 37 12.298 -6.302 19.630 1.00 34.00 C 1208 | ATOM 801 O4 U A 37 13.017 -5.568 20.304 1.00 36.02 O 1209 | ATOM 802 C5 U A 37 11.265 -7.147 20.164 1.00 31.95 C 1210 | ATOM 803 C6 U A 37 10.554 -7.899 19.317 1.00 32.70 C 1211 | ATOM 804 P A A 38 7.874 -11.102 13.932 1.00 37.04 P 1212 | ATOM 805 OP1 A A 38 6.963 -9.989 13.656 1.00 41.00 O 1213 | ATOM 806 OP2 A A 38 7.316 -12.375 14.369 1.00 40.18 O 1214 | ATOM 807 O5' A A 38 8.765 -11.320 12.628 1.00 38.82 O 1215 | ATOM 808 C5' A A 38 8.397 -10.701 11.398 1.00 37.40 C 1216 | ATOM 809 C4' A A 38 9.619 -10.575 10.505 1.00 38.03 C 1217 | ATOM 810 O4' A A 38 10.432 -9.437 10.905 1.00 36.66 O 1218 | ATOM 811 C3' A A 38 10.563 -11.768 10.557 1.00 38.61 C 1219 | ATOM 812 O3' A A 38 10.136 -12.767 9.644 1.00 39.50 O 1220 | ATOM 813 C2' A A 38 11.877 -11.122 10.142 1.00 37.59 C 1221 | ATOM 814 O2' A A 38 11.937 -10.828 8.768 1.00 37.88 O 1222 | ATOM 815 C1' A A 38 11.802 -9.814 10.906 1.00 36.79 C 1223 | ATOM 816 N9 A A 38 12.331 -9.906 12.274 1.00 35.03 N 1224 | ATOM 817 C8 A A 38 11.613 -9.847 13.435 1.00 33.74 C 1225 | ATOM 818 N7 A A 38 12.335 -9.956 14.520 1.00 34.06 N 1226 | ATOM 819 C5 A A 38 13.635 -10.094 14.049 1.00 34.21 C 1227 | ATOM 820 C6 A A 38 14.884 -10.238 14.689 1.00 32.92 C 1228 | ATOM 821 N6 A A 38 15.038 -10.272 16.016 1.00 32.21 N 1229 | ATOM 822 N1 A A 38 15.987 -10.357 13.913 1.00 33.44 N 1230 | ATOM 823 C2 A A 38 15.854 -10.311 12.593 1.00 33.02 C 1231 | ATOM 824 N3 A A 38 14.733 -10.164 11.889 1.00 34.95 N 1232 | ATOM 825 C4 A A 38 13.647 -10.063 12.666 1.00 34.67 C 1233 | ATOM 826 P A A 39 10.220 -14.330 9.989 1.00 40.69 P 1234 | ATOM 827 OP1 A A 39 9.672 -15.062 8.820 1.00 42.31 O 1235 | ATOM 828 OP2 A A 39 9.636 -14.548 11.324 1.00 40.68 O 1236 | ATOM 829 O5' A A 39 11.768 -14.672 10.098 1.00 40.51 O 1237 | ATOM 830 C5' A A 39 12.656 -14.617 8.974 1.00 40.37 C 1238 | ATOM 831 C4' A A 39 14.090 -14.596 9.472 1.00 40.15 C 1239 | ATOM 832 O4' A A 39 14.292 -13.429 10.321 1.00 40.29 O 1240 | ATOM 833 C3' A A 39 14.448 -15.748 10.398 1.00 40.81 C 1241 | ATOM 834 O3' A A 39 14.802 -16.920 9.681 1.00 42.28 O 1242 | ATOM 835 C2' A A 39 15.631 -15.166 11.161 1.00 40.26 C 1243 | ATOM 836 O2' A A 39 16.848 -15.147 10.433 1.00 40.93 O 1244 | ATOM 837 C1' A A 39 15.124 -13.754 11.425 1.00 38.02 C 1245 | ATOM 838 N9 A A 39 14.408 -13.631 12.705 1.00 35.40 N 1246 | ATOM 839 C8 A A 39 13.060 -13.553 12.908 1.00 34.65 C 1247 | ATOM 840 N7 A A 39 12.714 -13.466 14.173 1.00 34.17 N 1248 | ATOM 841 C5 A A 39 13.915 -13.484 14.857 1.00 32.90 C 1249 | ATOM 842 C6 A A 39 14.251 -13.406 16.231 1.00 32.79 C 1250 | ATOM 843 N6 A A 39 13.364 -13.290 17.225 1.00 29.80 N 1251 | ATOM 844 N1 A A 39 15.566 -13.469 16.560 1.00 33.41 N 1252 | ATOM 845 C2 A A 39 16.489 -13.573 15.593 1.00 30.86 C 1253 | ATOM 846 N3 A A 39 16.288 -13.638 14.288 1.00 30.72 N 1254 | ATOM 847 C4 A A 39 14.975 -13.590 13.970 1.00 33.65 C 1255 | ATOM 848 P C A 40 14.330 -18.368 10.161 1.00 42.71 P 1256 | ATOM 849 OP1 C A 40 14.561 -19.273 9.018 1.00 46.01 O 1257 | ATOM 850 OP2 C A 40 12.980 -18.284 10.734 1.00 43.59 O 1258 | ATOM 851 O5' C A 40 15.320 -18.760 11.351 1.00 42.91 O 1259 | ATOM 852 C5' C A 40 16.702 -18.962 11.169 1.00 41.06 C 1260 | ATOM 853 C4' C A 40 17.403 -18.766 12.500 1.00 41.75 C 1261 | ATOM 854 O4' C A 40 17.121 -17.444 13.030 1.00 42.35 O 1262 | ATOM 855 C3' C A 40 16.934 -19.662 13.631 1.00 41.63 C 1263 | ATOM 856 O3' C A 40 17.466 -20.975 13.482 1.00 43.19 O 1264 | ATOM 857 C2' C A 40 17.498 -18.890 14.832 1.00 41.14 C 1265 | ATOM 858 O2' C A 40 18.900 -18.999 15.029 1.00 41.43 O 1266 | ATOM 859 C1' C A 40 17.129 -17.460 14.454 1.00 39.77 C 1267 | ATOM 860 N1 C A 40 15.776 -17.132 15.003 1.00 38.92 N 1268 | ATOM 861 C2 C A 40 15.654 -16.878 16.381 1.00 37.63 C 1269 | ATOM 862 O2 C A 40 16.666 -16.909 17.104 1.00 35.62 O 1270 | ATOM 863 N3 C A 40 14.416 -16.613 16.878 1.00 36.79 N 1271 | ATOM 864 C4 C A 40 13.353 -16.602 16.063 1.00 36.72 C 1272 | ATOM 865 N4 C A 40 12.165 -16.325 16.603 1.00 34.25 N 1273 | ATOM 866 C5 C A 40 13.454 -16.863 14.663 1.00 36.01 C 1274 | ATOM 867 C6 C A 40 14.671 -17.126 14.184 1.00 36.59 C 1275 | ATOM 868 P C A 41 16.750 -22.276 14.098 1.00 42.69 P 1276 | ATOM 869 OP1 C A 41 17.460 -23.454 13.562 1.00 45.77 O 1277 | ATOM 870 OP2 C A 41 15.298 -22.165 13.874 1.00 42.72 O 1278 | ATOM 871 O5' C A 41 17.049 -22.182 15.674 1.00 42.81 O 1279 | ATOM 872 C5' C A 41 18.352 -22.217 16.222 1.00 41.96 C 1280 | ATOM 873 C4' C A 41 18.253 -22.109 17.729 1.00 42.03 C 1281 | ATOM 874 O4' C A 41 17.773 -20.793 18.107 1.00 41.80 O 1282 | ATOM 875 C3' C A 41 17.190 -23.000 18.357 1.00 42.57 C 1283 | ATOM 876 O3' C A 41 17.625 -24.343 18.476 1.00 45.23 O 1284 | ATOM 877 C2' C A 41 17.101 -22.358 19.722 1.00 41.30 C 1285 | ATOM 878 O2' C A 41 18.267 -22.631 20.476 1.00 42.12 O 1286 | ATOM 879 C1' C A 41 17.026 -20.891 19.311 1.00 39.22 C 1287 | ATOM 880 N1 C A 41 15.611 -20.414 19.131 1.00 36.58 N 1288 | ATOM 881 C2 C A 41 14.867 -20.077 20.268 1.00 35.19 C 1289 | ATOM 882 O2 C A 41 15.384 -20.161 21.386 1.00 35.36 O 1290 | ATOM 883 N3 C A 41 13.595 -19.647 20.120 1.00 33.99 N 1291 | ATOM 884 C4 C A 41 13.053 -19.563 18.906 1.00 34.50 C 1292 | ATOM 885 N4 C A 41 11.789 -19.137 18.833 1.00 33.15 N 1293 | ATOM 886 C5 C A 41 13.779 -19.915 17.727 1.00 33.08 C 1294 | ATOM 887 C6 C A 41 15.041 -20.320 17.887 1.00 35.00 C 1295 | ATOM 888 P G A 42 16.582 -25.554 18.407 1.00 43.41 P 1296 | ATOM 889 OP1 G A 42 17.433 -26.750 18.335 1.00 46.89 O 1297 | ATOM 890 OP2 G A 42 15.582 -25.298 17.353 1.00 43.30 O 1298 | ATOM 891 O5' G A 42 15.835 -25.543 19.816 1.00 42.56 O 1299 | ATOM 892 C5' G A 42 16.524 -25.910 20.980 1.00 41.31 C 1300 | ATOM 893 C4' G A 42 15.653 -25.560 22.162 1.00 42.51 C 1301 | ATOM 894 O4' G A 42 15.397 -24.134 22.155 1.00 42.65 O 1302 | ATOM 895 C3' G A 42 14.247 -26.122 22.136 1.00 43.40 C 1303 | ATOM 896 O3' G A 42 14.248 -27.472 22.494 1.00 45.75 O 1304 | ATOM 897 C2' G A 42 13.636 -25.261 23.225 1.00 43.06 C 1305 | ATOM 898 O2' G A 42 14.012 -25.681 24.522 1.00 45.84 O 1306 | ATOM 899 C1' G A 42 14.190 -23.874 22.839 1.00 40.89 C 1307 | ATOM 900 N9 G A 42 13.235 -23.259 21.923 1.00 36.35 N 1308 | ATOM 901 C8 G A 42 13.280 -23.242 20.553 1.00 34.99 C 1309 | ATOM 902 N7 G A 42 12.251 -22.667 20.003 1.00 33.69 N 1310 | ATOM 903 C5 G A 42 11.474 -22.282 21.087 1.00 33.92 C 1311 | ATOM 904 C6 G A 42 10.226 -21.622 21.137 1.00 34.15 C 1312 | ATOM 905 O6 G A 42 9.542 -21.214 20.198 1.00 35.18 O 1313 | ATOM 906 N1 G A 42 9.762 -21.428 22.439 1.00 34.37 N 1314 | ATOM 907 C2 G A 42 10.423 -21.839 23.569 1.00 33.01 C 1315 | ATOM 908 N2 G A 42 9.824 -21.582 24.737 1.00 33.10 N 1316 | ATOM 909 N3 G A 42 11.594 -22.451 23.541 1.00 33.38 N 1317 | ATOM 910 C4 G A 42 12.058 -22.644 22.275 1.00 34.51 C 1318 | ATOM 911 P A A 43 13.493 -28.581 21.622 1.00 46.62 P 1319 | ATOM 912 OP1 A A 43 14.002 -29.877 22.107 1.00 48.28 O 1320 | ATOM 913 OP2 A A 43 13.536 -28.237 20.187 1.00 47.01 O 1321 | ATOM 914 O5' A A 43 11.991 -28.434 22.108 1.00 46.06 O 1322 | ATOM 915 C5' A A 43 10.900 -28.909 21.350 1.00 43.75 C 1323 | ATOM 916 C4' A A 43 9.726 -28.962 22.297 1.00 42.87 C 1324 | ATOM 917 O4' A A 43 10.093 -29.761 23.447 1.00 42.73 O 1325 | ATOM 918 C3' A A 43 9.386 -27.625 22.927 1.00 41.81 C 1326 | ATOM 919 O3' A A 43 8.520 -26.916 22.082 1.00 42.38 O 1327 | ATOM 920 C2' A A 43 8.685 -28.024 24.218 1.00 41.43 C 1328 | ATOM 921 O2' A A 43 7.374 -28.490 23.992 1.00 40.60 O 1329 | ATOM 922 C1' A A 43 9.521 -29.212 24.632 1.00 40.83 C 1330 | ATOM 923 N9 A A 43 10.580 -29.059 25.637 1.00 39.79 N 1331 | ATOM 924 C8 A A 43 11.927 -29.129 25.401 1.00 39.54 C 1332 | ATOM 925 N7 A A 43 12.663 -29.014 26.481 1.00 38.07 N 1333 | ATOM 926 C5 A A 43 11.748 -28.881 27.500 1.00 36.92 C 1334 | ATOM 927 C6 A A 43 11.908 -28.736 28.894 1.00 36.06 C 1335 | ATOM 928 N6 A A 43 13.103 -28.694 29.489 1.00 34.02 N 1336 | ATOM 929 N1 A A 43 10.788 -28.631 29.647 1.00 37.18 N 1337 | ATOM 930 C2 A A 43 9.589 -28.668 29.038 1.00 37.68 C 1338 | ATOM 931 N3 A A 43 9.321 -28.806 27.733 1.00 37.62 N 1339 | ATOM 932 C4 A A 43 10.452 -28.911 27.005 1.00 38.13 C 1340 | ATOM 933 P A A 44 8.670 -25.334 21.979 1.00 41.18 P 1341 | ATOM 934 OP1 A A 44 7.836 -24.890 20.842 1.00 41.31 O 1342 | ATOM 935 OP2 A A 44 10.134 -25.085 22.019 1.00 40.73 O 1343 | ATOM 936 O5' A A 44 7.973 -24.783 23.309 1.00 40.68 O 1344 | ATOM 937 C5' A A 44 6.562 -24.842 23.447 1.00 39.40 C 1345 | ATOM 938 C4' A A 44 6.159 -24.689 24.899 1.00 39.78 C 1346 | ATOM 939 O4' A A 44 6.851 -25.650 25.752 1.00 40.05 O 1347 | ATOM 940 C3' A A 44 6.495 -23.339 25.493 1.00 38.75 C 1348 | ATOM 941 O3' A A 44 5.476 -22.437 25.178 1.00 37.76 O 1349 | ATOM 942 C2' A A 44 6.518 -23.658 26.982 1.00 39.35 C 1350 | ATOM 943 O2' A A 44 5.222 -23.764 27.543 1.00 39.63 O 1351 | ATOM 944 C1' A A 44 7.180 -25.032 26.982 1.00 39.28 C 1352 | ATOM 945 N9 A A 44 8.634 -25.073 27.175 1.00 38.60 N 1353 | ATOM 946 C8 A A 44 9.623 -25.031 26.229 1.00 36.60 C 1354 | ATOM 947 N7 A A 44 10.839 -25.114 26.725 1.00 37.08 N 1355 | ATOM 948 C5 A A 44 10.631 -25.212 28.093 1.00 37.92 C 1356 | ATOM 949 C6 A A 44 11.509 -25.341 29.198 1.00 38.38 C 1357 | ATOM 950 N6 A A 44 12.835 -25.386 29.049 1.00 37.40 N 1358 | ATOM 951 N1 A A 44 10.982 -25.425 30.452 1.00 37.31 N 1359 | ATOM 952 C2 A A 44 9.647 -25.388 30.601 1.00 38.00 C 1360 | ATOM 953 N3 A A 44 8.717 -25.278 29.641 1.00 38.94 N 1361 | ATOM 954 C4 A A 44 9.276 -25.191 28.397 1.00 39.14 C 1362 | ATOM 955 P A A 45 5.855 -20.908 24.943 1.00 38.45 P 1363 | ATOM 956 OP1 A A 45 4.706 -20.247 24.304 1.00 40.68 O 1364 | ATOM 957 OP2 A A 45 7.204 -20.862 24.343 1.00 38.36 O 1365 | ATOM 958 O5' A A 45 5.917 -20.306 26.417 1.00 38.73 O 1366 | ATOM 959 C5' A A 45 4.797 -20.405 27.292 1.00 37.28 C 1367 | ATOM 960 C4' A A 45 5.302 -20.123 28.685 1.00 37.72 C 1368 | ATOM 961 O4' A A 45 6.217 -21.173 29.069 1.00 37.02 O 1369 | ATOM 962 C3' A A 45 6.144 -18.871 28.774 1.00 37.67 C 1370 | ATOM 963 O3' A A 45 5.306 -17.750 28.948 1.00 37.85 O 1371 | ATOM 964 C2' A A 45 7.024 -19.144 29.986 1.00 37.06 C 1372 | ATOM 965 O2' A A 45 6.413 -18.781 31.207 1.00 36.74 O 1373 | ATOM 966 C1' A A 45 7.227 -20.646 29.887 1.00 36.25 C 1374 | ATOM 967 N9 A A 45 8.512 -20.974 29.295 1.00 37.50 N 1375 | ATOM 968 C8 A A 45 8.891 -20.891 27.980 1.00 36.99 C 1376 | ATOM 969 N7 A A 45 10.132 -21.258 27.780 1.00 36.67 N 1377 | ATOM 970 C5 A A 45 10.590 -21.596 29.044 1.00 35.99 C 1378 | ATOM 971 C6 A A 45 11.828 -22.066 29.523 1.00 36.50 C 1379 | ATOM 972 N6 A A 45 12.879 -22.275 28.730 1.00 35.72 N 1380 | ATOM 973 N1 A A 45 11.949 -22.322 30.850 1.00 37.30 N 1381 | ATOM 974 C2 A A 45 10.891 -22.115 31.648 1.00 36.93 C 1382 | ATOM 975 N3 A A 45 9.682 -21.670 31.310 1.00 35.50 N 1383 | ATOM 976 C4 A A 45 9.604 -21.430 29.989 1.00 36.12 C 1384 | ATOM 977 P G A 46 5.682 -16.349 28.281 1.00 37.58 P 1385 | ATOM 978 OP1 G A 46 4.801 -15.365 28.922 1.00 39.38 O 1386 | ATOM 979 OP2 G A 46 5.707 -16.504 26.810 1.00 38.88 O 1387 | ATOM 980 O5' G A 46 7.173 -16.114 28.816 1.00 37.46 O 1388 | ATOM 981 C5' G A 46 8.162 -15.395 28.128 1.00 36.56 C 1389 | ATOM 982 C4' G A 46 9.458 -16.150 28.358 1.00 38.17 C 1390 | ATOM 983 O4' G A 46 9.342 -17.517 27.892 1.00 39.43 O 1391 | ATOM 984 C3' G A 46 10.624 -15.615 27.568 1.00 37.74 C 1392 | ATOM 985 O3' G A 46 11.143 -14.468 28.222 1.00 37.72 O 1393 | ATOM 986 C2' G A 46 11.537 -16.842 27.481 1.00 37.37 C 1394 | ATOM 987 O2' G A 46 12.294 -17.154 28.630 1.00 39.00 O 1395 | ATOM 988 C1' G A 46 10.510 -17.935 27.204 1.00 37.38 C 1396 | ATOM 989 N9 G A 46 10.229 -18.017 25.770 1.00 36.36 N 1397 | ATOM 990 C8 G A 46 9.057 -17.671 25.124 1.00 35.43 C 1398 | ATOM 991 N7 G A 46 9.121 -17.831 23.836 1.00 34.64 N 1399 | ATOM 992 C5 G A 46 10.414 -18.297 23.608 1.00 34.06 C 1400 | ATOM 993 C6 G A 46 11.076 -18.638 22.409 1.00 32.79 C 1401 | ATOM 994 O6 G A 46 10.628 -18.597 21.275 1.00 33.24 O 1402 | ATOM 995 N1 G A 46 12.381 -19.087 22.582 1.00 33.05 N 1403 | ATOM 996 C2 G A 46 13.002 -19.180 23.799 1.00 33.17 C 1404 | ATOM 997 N2 G A 46 14.274 -19.620 23.780 1.00 30.81 N 1405 | ATOM 998 N3 G A 46 12.397 -18.855 24.946 1.00 34.03 N 1406 | ATOM 999 C4 G A 46 11.111 -18.422 24.783 1.00 35.00 C 1407 | ATOM 1000 P G A 47 11.772 -13.272 27.345 1.00 38.46 P 1408 | ATOM 1001 OP1 G A 47 12.113 -12.181 28.279 1.00 38.43 O 1409 | ATOM 1002 OP2 G A 47 10.861 -13.027 26.214 1.00 36.35 O 1410 | ATOM 1003 O5' G A 47 13.125 -13.899 26.763 1.00 36.27 O 1411 | ATOM 1004 C5' G A 47 14.168 -14.377 27.592 1.00 34.85 C 1412 | ATOM 1005 C4' G A 47 15.194 -15.035 26.704 1.00 35.38 C 1413 | ATOM 1006 O4' G A 47 14.557 -16.116 25.974 1.00 36.41 O 1414 | ATOM 1007 C3' G A 47 15.696 -14.145 25.578 1.00 35.63 C 1415 | ATOM 1008 O3' G A 47 16.671 -13.191 25.986 1.00 36.26 O 1416 | ATOM 1009 C2' G A 47 16.253 -15.190 24.622 1.00 35.76 C 1417 | ATOM 1010 O2' G A 47 17.516 -15.698 25.002 1.00 35.76 O 1418 | ATOM 1011 C1' G A 47 15.155 -16.248 24.688 1.00 35.33 C 1419 | ATOM 1012 N9 G A 47 14.194 -16.039 23.604 1.00 33.69 N 1420 | ATOM 1013 C8 G A 47 12.900 -15.574 23.686 1.00 34.20 C 1421 | ATOM 1014 N7 G A 47 12.297 -15.496 22.525 1.00 33.01 N 1422 | ATOM 1015 C5 G A 47 13.264 -15.924 21.613 1.00 32.72 C 1423 | ATOM 1016 C6 G A 47 13.216 -16.045 20.198 1.00 33.34 C 1424 | ATOM 1017 O6 G A 47 12.260 -15.781 19.465 1.00 34.37 O 1425 | ATOM 1018 N1 G A 47 14.416 -16.507 19.625 1.00 32.75 N 1426 | ATOM 1019 C2 G A 47 15.533 -16.818 20.375 1.00 32.43 C 1427 | ATOM 1020 N2 G A 47 16.605 -17.260 19.718 1.00 32.46 N 1428 | ATOM 1021 N3 G A 47 15.590 -16.715 21.697 1.00 32.22 N 1429 | ATOM 1022 C4 G A 47 14.431 -16.258 22.256 1.00 33.01 C 1430 | ATOM 1023 P G A 48 16.632 -11.683 25.431 1.00 35.17 P 1431 | ATOM 1024 OP1 G A 48 17.945 -11.096 25.646 1.00 36.41 O 1432 | ATOM 1025 OP2 G A 48 15.444 -10.996 25.970 1.00 36.60 O 1433 | ATOM 1026 O5' G A 48 16.474 -11.907 23.851 1.00 36.43 O 1434 | ATOM 1027 C5' G A 48 17.604 -12.054 23.007 1.00 33.53 C 1435 | ATOM 1028 C4' G A 48 17.146 -12.584 21.668 1.00 32.77 C 1436 | ATOM 1029 O4' G A 48 16.509 -11.503 20.947 1.00 31.92 O 1437 | ATOM 1030 C3' G A 48 18.268 -13.042 20.759 1.00 32.46 C 1438 | ATOM 1031 O3' G A 48 18.564 -14.403 21.008 1.00 35.59 O 1439 | ATOM 1032 C2' G A 48 17.660 -12.760 19.388 1.00 31.44 C 1440 | ATOM 1033 O2' G A 48 16.681 -13.723 19.056 1.00 31.76 O 1441 | ATOM 1034 C1' G A 48 17.016 -11.393 19.625 1.00 30.99 C 1442 | ATOM 1035 N9 G A 48 18.006 -10.320 19.481 1.00 28.93 N 1443 | ATOM 1036 C8 G A 48 18.656 -9.634 20.482 1.00 28.30 C 1444 | ATOM 1037 N7 G A 48 19.522 -8.763 20.035 1.00 28.64 N 1445 | ATOM 1038 C5 G A 48 19.458 -8.880 18.646 1.00 27.41 C 1446 | ATOM 1039 C6 G A 48 20.156 -8.209 17.626 1.00 27.14 C 1447 | ATOM 1040 O6 G A 48 21.009 -7.332 17.747 1.00 30.26 O 1448 | ATOM 1041 N1 G A 48 19.789 -8.612 16.342 1.00 26.08 N 1449 | ATOM 1042 C2 G A 48 18.850 -9.569 16.076 1.00 25.10 C 1450 | ATOM 1043 N2 G A 48 18.609 -9.860 14.793 1.00 23.18 N 1451 | ATOM 1044 N3 G A 48 18.179 -10.193 17.022 1.00 27.06 N 1452 | ATOM 1045 C4 G A 48 18.524 -9.817 18.284 1.00 28.79 C 1453 | ATOM 1046 P G A 49 20.059 -14.967 20.831 1.00 36.42 P 1454 | ATOM 1047 OP1 G A 49 20.026 -16.372 21.227 1.00 37.23 O 1455 | ATOM 1048 OP2 G A 49 20.989 -14.013 21.469 1.00 36.82 O 1456 | ATOM 1049 O5' G A 49 20.344 -14.888 19.250 1.00 35.20 O 1457 | ATOM 1050 C5' G A 49 19.581 -15.676 18.353 1.00 34.54 C 1458 | ATOM 1051 C4' G A 49 19.838 -15.225 16.931 1.00 34.82 C 1459 | ATOM 1052 O4' G A 49 19.567 -13.802 16.799 1.00 33.83 O 1460 | ATOM 1053 C3' G A 49 21.295 -15.328 16.508 1.00 35.80 C 1461 | ATOM 1054 O3' G A 49 21.648 -16.653 16.159 1.00 39.17 O 1462 | ATOM 1055 C2' G A 49 21.312 -14.397 15.301 1.00 34.31 C 1463 | ATOM 1056 O2' G A 49 20.747 -14.965 14.136 1.00 34.33 O 1464 | ATOM 1057 C1' G A 49 20.449 -13.265 15.837 1.00 32.39 C 1465 | ATOM 1058 N9 G A 49 21.273 -12.228 16.438 1.00 29.94 N 1466 | ATOM 1059 C8 G A 49 21.484 -11.958 17.764 1.00 27.52 C 1467 | ATOM 1060 N7 G A 49 22.282 -10.951 17.933 1.00 27.26 N 1468 | ATOM 1061 C5 G A 49 22.615 -10.519 16.656 1.00 27.18 C 1469 | ATOM 1062 C6 G A 49 23.448 -9.470 16.213 1.00 28.94 C 1470 | ATOM 1063 O6 G A 49 24.090 -8.669 16.904 1.00 31.10 O 1471 | ATOM 1064 N1 G A 49 23.507 -9.374 14.819 1.00 28.85 N 1472 | ATOM 1065 C2 G A 49 22.835 -10.232 13.958 1.00 30.43 C 1473 | ATOM 1066 N2 G A 49 22.988 -10.041 12.626 1.00 31.29 N 1474 | ATOM 1067 N3 G A 49 22.064 -11.228 14.376 1.00 27.73 N 1475 | ATOM 1068 C4 G A 49 21.996 -11.299 15.724 1.00 28.26 C 1476 | ATOM 1069 P G A 50 23.171 -17.159 16.219 1.00 39.25 P 1477 | ATOM 1070 OP1 G A 50 23.121 -18.548 15.726 1.00 39.11 O 1478 | ATOM 1071 OP2 G A 50 23.766 -16.835 17.527 1.00 38.75 O 1479 | ATOM 1072 O5' G A 50 23.930 -16.202 15.190 1.00 38.57 O 1480 | ATOM 1073 C5' G A 50 24.481 -16.625 13.970 1.00 37.94 C 1481 | ATOM 1074 C4' G A 50 24.810 -15.414 13.107 1.00 37.47 C 1482 | ATOM 1075 O4' G A 50 24.255 -14.189 13.655 1.00 36.38 O 1483 | ATOM 1076 C3' G A 50 26.273 -15.048 12.963 1.00 36.69 C 1484 | ATOM 1077 O3' G A 50 26.904 -15.910 12.064 1.00 37.36 O 1485 | ATOM 1078 C2' G A 50 26.135 -13.670 12.328 1.00 36.72 C 1486 | ATOM 1079 O2' G A 50 25.749 -13.719 10.967 1.00 36.33 O 1487 | ATOM 1080 C1' G A 50 25.019 -13.086 13.193 1.00 35.29 C 1488 | ATOM 1081 N9 G A 50 25.530 -12.330 14.344 1.00 34.05 N 1489 | ATOM 1082 C8 G A 50 25.370 -12.628 15.679 1.00 31.11 C 1490 | ATOM 1083 N7 G A 50 25.946 -11.751 16.460 1.00 31.14 N 1491 | ATOM 1084 C5 G A 50 26.525 -10.821 15.603 1.00 30.18 C 1492 | ATOM 1085 C6 G A 50 27.284 -9.653 15.861 1.00 30.73 C 1493 | ATOM 1086 O6 G A 50 27.616 -9.159 16.953 1.00 32.04 O 1494 | ATOM 1087 N1 G A 50 27.690 -9.016 14.688 1.00 29.77 N 1495 | ATOM 1088 C2 G A 50 27.371 -9.424 13.420 1.00 29.80 C 1496 | ATOM 1089 N2 G A 50 27.831 -8.680 12.392 1.00 28.66 N 1497 | ATOM 1090 N3 G A 50 26.651 -10.514 13.182 1.00 30.96 N 1498 | ATOM 1091 C4 G A 50 26.273 -11.165 14.301 1.00 31.24 C 1499 | ATOM 1092 P A A 51 28.441 -16.319 12.217 1.00 35.98 P 1500 | ATOM 1093 OP1 A A 51 28.570 -17.514 11.357 1.00 38.12 O 1501 | ATOM 1094 OP2 A A 51 28.812 -16.373 13.648 1.00 36.42 O 1502 | ATOM 1095 O5' A A 51 29.272 -15.123 11.555 1.00 35.63 O 1503 | ATOM 1096 C5' A A 51 29.086 -14.687 10.211 1.00 33.55 C 1504 | ATOM 1097 C4' A A 51 29.755 -13.338 10.072 1.00 34.33 C 1505 | ATOM 1098 O4' A A 51 29.111 -12.389 10.959 1.00 35.46 O 1506 | ATOM 1099 C3' A A 51 31.198 -13.261 10.551 1.00 34.38 C 1507 | ATOM 1100 O3' A A 51 32.089 -13.802 9.607 1.00 36.20 O 1508 | ATOM 1101 C2' A A 51 31.381 -11.760 10.710 1.00 33.53 C 1509 | ATOM 1102 O2' A A 51 31.417 -11.047 9.491 1.00 33.25 O 1510 | ATOM 1103 C1' A A 51 30.070 -11.427 11.398 1.00 33.67 C 1511 | ATOM 1104 N9 A A 51 30.147 -11.376 12.863 1.00 31.22 N 1512 | ATOM 1105 C8 A A 51 29.669 -12.302 13.745 1.00 28.23 C 1513 | ATOM 1106 N7 A A 51 29.871 -11.965 14.982 1.00 28.21 N 1514 | ATOM 1107 C5 A A 51 30.502 -10.734 14.924 1.00 29.25 C 1515 | ATOM 1108 C6 A A 51 30.978 -9.846 15.909 1.00 29.84 C 1516 | ATOM 1109 N6 A A 51 30.878 -10.077 17.213 1.00 30.26 N 1517 | ATOM 1110 N1 A A 51 31.581 -8.701 15.510 1.00 29.86 N 1518 | ATOM 1111 C2 A A 51 31.696 -8.455 14.195 1.00 29.96 C 1519 | ATOM 1112 N3 A A 51 31.275 -9.203 13.180 1.00 28.75 N 1520 | ATOM 1113 C4 A A 51 30.693 -10.347 13.617 1.00 29.68 C 1521 | ATOM 1114 P A A 52 33.420 -14.575 10.063 1.00 38.02 P 1522 | ATOM 1115 OP1 A A 52 33.797 -15.378 8.882 1.00 37.52 O 1523 | ATOM 1116 OP2 A A 52 33.201 -15.190 11.387 1.00 38.15 O 1524 | ATOM 1117 O5' A A 52 34.529 -13.438 10.281 1.00 38.03 O 1525 | ATOM 1118 C5' A A 52 34.804 -12.474 9.276 1.00 37.60 C 1526 | ATOM 1119 C4' A A 52 35.430 -11.234 9.876 1.00 37.46 C 1527 | ATOM 1120 O4' A A 52 34.492 -10.565 10.751 1.00 37.61 O 1528 | ATOM 1121 C3' A A 52 36.630 -11.465 10.770 1.00 38.27 C 1529 | ATOM 1122 O3' A A 52 37.820 -11.628 10.006 1.00 39.36 O 1530 | ATOM 1123 C2' A A 52 36.647 -10.152 11.542 1.00 38.25 C 1531 | ATOM 1124 O2' A A 52 37.047 -9.061 10.745 1.00 39.50 O 1532 | ATOM 1125 C1' A A 52 35.179 -9.983 11.851 1.00 36.80 C 1533 | ATOM 1126 N9 A A 52 34.748 -10.565 13.130 1.00 35.14 N 1534 | ATOM 1127 C8 A A 52 34.168 -11.793 13.342 1.00 33.25 C 1535 | ATOM 1128 N7 A A 52 33.864 -12.027 14.597 1.00 32.11 N 1536 | ATOM 1129 C5 A A 52 34.275 -10.867 15.253 1.00 32.39 C 1537 | ATOM 1130 C6 A A 52 34.244 -10.475 16.603 1.00 31.78 C 1538 | ATOM 1131 N6 A A 52 33.740 -11.255 17.561 1.00 32.80 N 1539 | ATOM 1132 N1 A A 52 34.739 -9.255 16.935 1.00 32.70 N 1540 | ATOM 1133 C2 A A 52 35.241 -8.468 15.972 1.00 32.26 C 1541 | ATOM 1134 N3 A A 52 35.324 -8.745 14.668 1.00 32.69 N 1542 | ATOM 1135 C4 A A 52 34.821 -9.958 14.368 1.00 32.71 C 1543 | ATOM 1136 P U A 53 39.074 -12.432 10.601 1.00 39.12 P 1544 | ATOM 1137 OP1 U A 53 40.132 -12.419 9.584 1.00 42.62 O 1545 | ATOM 1138 OP2 U A 53 38.597 -13.743 11.089 1.00 40.13 O 1546 | ATOM 1139 O5' U A 53 39.572 -11.544 11.836 1.00 41.09 O 1547 | ATOM 1140 C5' U A 53 40.337 -10.349 11.656 1.00 41.00 C 1548 | ATOM 1141 C4' U A 53 40.601 -9.710 13.005 1.00 41.48 C 1549 | ATOM 1142 O4' U A 53 39.318 -9.460 13.628 1.00 41.90 O 1550 | ATOM 1143 C3' U A 53 41.331 -10.567 14.034 1.00 42.08 C 1551 | ATOM 1144 O3' U A 53 42.758 -10.509 13.898 1.00 43.82 O 1552 | ATOM 1145 C2' U A 53 40.896 -9.911 15.334 1.00 41.88 C 1553 | ATOM 1146 O2' U A 53 41.610 -8.713 15.585 1.00 45.00 O 1554 | ATOM 1147 C1' U A 53 39.431 -9.615 15.037 1.00 40.91 C 1555 | ATOM 1148 N1 U A 53 38.499 -10.688 15.543 1.00 38.93 N 1556 | ATOM 1149 C2 U A 53 38.023 -10.594 16.840 1.00 38.86 C 1557 | ATOM 1150 O2 U A 53 38.318 -9.686 17.601 1.00 39.75 O 1558 | ATOM 1151 N3 U A 53 37.181 -11.616 17.222 1.00 37.10 N 1559 | ATOM 1152 C4 U A 53 36.787 -12.690 16.443 1.00 35.20 C 1560 | ATOM 1153 O4 U A 53 36.042 -13.519 16.919 1.00 32.86 O 1561 | ATOM 1154 C5 U A 53 37.310 -12.728 15.106 1.00 35.09 C 1562 | ATOM 1155 C6 U A 53 38.132 -11.748 14.720 1.00 36.82 C 1563 | TER 1156 U A 53 1564 | HETATM 1157 SR SR A 201 12.740 0.220 9.098 0.50107.34 SR 1565 | HETATM 1158 SR SR A 202 25.835 -9.984 20.811 1.00104.60 SR 1566 | HETATM 1159 SR SR A 203 8.676 5.414 14.960 0.50 86.69 SR 1567 | HETATM 1160 SR SR A 204 7.982 -17.341 21.254 1.00 61.42 SR 1568 | HETATM 1161 SR SR A 205 9.882 -24.680 16.868 1.00 95.02 SR 1569 | HETATM 1162 SR SR A 206 6.333 26.161 10.354 0.50 78.84 SR 1570 | HETATM 1163 SR SR A 207 22.130 -0.518 12.213 1.00 64.65 SR 1571 | HETATM 1164 SR SR A 208 11.900 -1.104 25.490 1.00 57.53 SR 1572 | HETATM 1165 SR SR A 209 4.170 -10.266 13.322 1.00 86.59 SR 1573 | HETATM 1166 SR SR A 210 4.121 -12.760 24.545 1.00100.53 SR 1574 | HETATM 1167 SR SR A 211 8.090 23.836 6.998 0.50 64.35 SR 1575 | HETATM 1168 SR SR A 212 31.597 -11.863 29.462 0.50 79.56 SR 1576 | HETATM 1169 SR SR A 213 8.519 13.686 14.329 0.50 70.17 SR 1577 | HETATM 1170 SR SR A 214 10.164 0.279 13.865 0.50 67.36 SR 1578 | HETATM 1171 SR SR A 215 8.275 -14.586 14.296 1.00102.26 SR 1579 | HETATM 1172 N SAM A 216 17.637 -6.689 25.085 1.00 60.17 N 1580 | HETATM 1173 CA SAM A 216 16.288 -6.210 25.520 1.00 59.84 C 1581 | HETATM 1174 C SAM A 216 16.105 -6.208 27.051 1.00 60.37 C 1582 | HETATM 1175 O SAM A 216 17.023 -6.549 27.811 1.00 60.61 O 1583 | HETATM 1176 OXT SAM A 216 15.037 -5.852 27.578 1.00 60.58 O 1584 | HETATM 1177 CB SAM A 216 15.209 -7.031 24.823 1.00 59.54 C 1585 | HETATM 1178 CG SAM A 216 13.983 -6.200 24.447 1.00 56.99 C 1586 | HETATM 1179 SD SAM A 216 12.483 -7.143 24.061 1.00 54.23 S 1587 | HETATM 1180 CE SAM A 216 11.401 -6.648 25.426 1.00 52.58 C 1588 | HETATM 1181 C5' SAM A 216 12.897 -8.827 24.613 1.00 47.06 C 1589 | HETATM 1182 C4' SAM A 216 12.125 -9.913 23.872 1.00 41.16 C 1590 | HETATM 1183 O4' SAM A 216 12.057 -9.621 22.488 1.00 38.65 O 1591 | HETATM 1184 C3' SAM A 216 12.834 -11.246 23.972 1.00 38.41 C 1592 | HETATM 1185 O3' SAM A 216 11.848 -12.236 24.083 1.00 36.73 O 1593 | HETATM 1186 C2' SAM A 216 13.570 -11.391 22.659 1.00 35.16 C 1594 | HETATM 1187 O2' SAM A 216 13.674 -12.736 22.285 1.00 33.82 O 1595 | HETATM 1188 C1' SAM A 216 12.678 -10.632 21.709 1.00 34.40 C 1596 | HETATM 1189 N9 SAM A 216 13.363 -9.990 20.575 1.00 30.38 N 1597 | HETATM 1190 C8 SAM A 216 13.053 -10.244 19.271 1.00 28.71 C 1598 | HETATM 1191 N7 SAM A 216 13.841 -9.488 18.477 1.00 28.45 N 1599 | HETATM 1192 C5 SAM A 216 14.644 -8.737 19.265 1.00 28.44 C 1600 | HETATM 1193 C6 SAM A 216 15.625 -7.794 18.964 1.00 28.43 C 1601 | HETATM 1194 N6 SAM A 216 15.896 -7.500 17.692 1.00 27.54 N 1602 | HETATM 1195 N1 SAM A 216 16.303 -7.161 19.995 1.00 28.00 N 1603 | HETATM 1196 C2 SAM A 216 16.005 -7.473 21.312 1.00 26.69 C 1604 | HETATM 1197 N3 SAM A 216 15.038 -8.418 21.597 1.00 27.60 N 1605 | HETATM 1198 C4 SAM A 216 14.351 -9.034 20.596 1.00 28.19 C 1606 | HETATM 1199 O HOH A 217 13.317 -4.171 16.739 1.00 56.89 O 1607 | HETATM 1200 O HOH A 218 14.511 -18.815 28.471 1.00 41.65 O 1608 | HETATM 1201 O HOH A 219 21.879 -0.991 15.144 1.00 39.35 O 1609 | HETATM 1202 O HOH A 220 11.381 1.111 21.629 1.00 45.74 O 1610 | HETATM 1203 O HOH A 221 11.490 -25.755 19.320 1.00 47.73 O 1611 | HETATM 1204 O HOH A 222 18.595 0.352 13.946 1.00 53.27 O 1612 | HETATM 1205 O HOH A 223 7.520 -20.335 21.570 1.00 56.19 O 1613 | HETATM 1206 O HOH A 224 12.283 0.879 24.174 1.00 43.83 O 1614 | HETATM 1207 O HOH A 225 23.608 -3.363 15.938 1.00 46.86 O 1615 | HETATM 1208 O HOH A 226 20.749 -6.966 21.585 1.00 50.50 O 1616 | HETATM 1209 O HOH A 227 43.419 -12.320 12.380 1.00 52.56 O 1617 | HETATM 1210 O HOH A 228 18.505 -13.527 12.859 1.00 45.80 O 1618 | HETATM 1211 O HOH A 229 20.353 1.176 25.532 1.00 84.39 O 1619 | HETATM 1212 O HOH A 230 34.561 -15.976 27.986 1.00 42.23 O 1620 | HETATM 1213 O HOH A 231 9.642 -14.753 22.505 1.00 35.71 O 1621 | HETATM 1214 O HOH A 232 30.277 -13.049 24.215 1.00 65.14 O 1622 | HETATM 1215 O HOH A 233 30.080 -15.879 28.936 1.00 62.82 O 1623 | HETATM 1216 O HOH A 234 25.318 -2.259 20.536 1.00 56.82 O 1624 | HETATM 1217 O HOH A 235 18.861 -10.600 10.358 1.00 49.32 O 1625 | HETATM 1218 O HOH A 236 42.090 -11.071 7.960 1.00 51.08 O 1626 | HETATM 1219 O HOH A 237 26.239 -3.486 17.015 1.00 41.73 O 1627 | HETATM 1220 O HOH A 238 44.479 -10.595 9.175 1.00 45.42 O 1628 | HETATM 1221 O HOH A 239 14.151 -13.180 19.753 1.00 33.30 O 1629 | HETATM 1222 O HOH A 240 31.679 -8.447 10.551 1.00 42.95 O 1630 | HETATM 1223 O HOH A 241 31.726 -16.722 7.121 1.00 38.64 O 1631 | HETATM 1224 O HOH A 242 17.371 2.379 16.560 1.00 66.54 O 1632 | HETATM 1225 O HOH A 243 31.616 -4.573 22.060 1.00 46.88 O 1633 | HETATM 1226 O HOH A 244 14.963 -21.918 8.571 1.00 67.87 O 1634 | HETATM 1227 O HOH A 245 18.000 -17.478 22.971 1.00 44.65 O 1635 | HETATM 1228 O HOH A 246 11.975 22.448 20.027 1.00 67.77 O 1636 | HETATM 1229 O HOH A 247 20.215 -19.247 17.256 1.00 43.25 O 1637 | HETATM 1230 O HOH A 248 8.594 -14.384 24.864 1.00 43.55 O 1638 | HETATM 1231 O HOH A 249 24.060 -14.533 17.787 1.00 54.38 O 1639 | HETATM 1232 O HOH A 250 18.961 -25.596 22.969 1.00 66.17 O 1640 | HETATM 1233 O HOH A 251 23.305 -9.239 19.780 1.00 64.81 O 1641 | HETATM 1234 O HOH A 252 5.270 9.488 1.730 1.00 87.97 O 1642 | HETATM 1235 O HOH A 253 7.815 9.248 1.014 1.00 83.79 O 1643 | HETATM 1236 O HOH A 254 14.491 13.605 5.118 1.00 65.16 O 1644 | HETATM 1237 O HOH A 255 14.759 22.999 20.023 1.00 54.66 O 1645 | HETATM 1238 O HOH A 256 12.976 2.689 20.208 1.00 47.23 O 1646 | HETATM 1239 O HOH A 257 15.649 -19.649 26.489 1.00 47.08 O 1647 | HETATM 1240 O HOH A 258 14.701 -9.700 9.215 1.00 58.51 O 1648 | HETATM 1241 O HOH A 259 11.722 3.008 17.560 1.00 47.17 O 1649 | HETATM 1242 O HOH A 260 19.001 -1.194 8.917 1.00 52.19 O 1650 | HETATM 1243 O HOH A 261 5.900 1.872 12.649 1.00 66.58 O 1651 | HETATM 1244 O HOH A 262 29.570 -7.587 20.641 1.00 47.74 O 1652 | HETATM 1245 O HOH A 263 22.022 5.356 19.566 1.00 91.48 O 1653 | HETATM 1246 O HOH A 264 16.936 3.646 18.986 1.00 58.23 O 1654 | HETATM 1247 O HOH A 265 22.391 -6.689 19.652 1.00 60.66 O 1655 | HETATM 1248 O HOH A 266 6.653 -28.946 26.866 1.00 51.17 O 1656 | HETATM 1249 O HOH A 267 9.950 -19.405 16.393 1.00 44.11 O 1657 | HETATM 1250 O HOH A 268 17.209 -3.020 21.724 1.00 53.04 O 1658 | HETATM 1251 O HOH A 269 12.150 -20.264 5.944 1.00 56.76 O 1659 | HETATM 1252 O HOH A 270 5.606 -22.505 20.773 1.00 52.08 O 1660 | HETATM 1253 O HOH A 271 11.025 -16.616 12.455 1.00 56.03 O 1661 | HETATM 1254 O HOH A 272 14.325 4.393 17.987 1.00 50.97 O 1662 | HETATM 1255 O HOH A 273 14.137 -4.334 22.250 1.00 49.03 O 1663 | HETATM 1256 O HOH A 274 19.167 -18.323 19.943 1.00 56.62 O 1664 | HETATM 1257 O HOH A 275 29.542 -9.316 28.425 1.00 55.10 O 1665 | HETATM 1258 O HOH A 276 8.504 20.332 22.242 1.00 55.15 O 1666 | HETATM 1259 O HOH A 277 23.441 -13.696 20.253 1.00 45.60 O 1667 | HETATM 1260 O HOH A 278 2.957 21.787 10.828 1.00 53.26 O 1668 | HETATM 1261 O HOH A 279 27.667 -11.432 26.962 1.00 69.06 O 1669 | HETATM 1262 O HOH A 280 10.075 -17.657 8.242 1.00 59.31 O 1670 | HETATM 1263 O HOH A 281 38.674 -3.542 17.676 1.00 53.30 O 1671 | HETATM 1264 O HOH A 282 22.511 1.533 13.686 1.00 55.39 O 1672 | HETATM 1265 O HOH A 283 31.070 -7.793 23.483 1.00 53.83 O 1673 | HETATM 1266 O HOH A 284 29.415 -13.254 26.783 1.00 59.33 O 1674 | HETATM 1267 O HOH A 285 17.278 -21.918 23.047 1.00 62.78 O 1675 | CONECT 1 2 3 4 5 1676 | CONECT 2 1 1677 | CONECT 3 1 1678 | CONECT 4 1 1679 | CONECT 5 1 6 1680 | CONECT 6 5 7 8 9 1681 | CONECT 7 6 1682 | CONECT 8 6 1683 | CONECT 9 6 10 1684 | CONECT 10 9 11 12 13 1685 | CONECT 11 10 1686 | CONECT 12 10 1168 1687 | CONECT 13 10 14 1688 | CONECT 14 13 15 1689 | CONECT 15 14 16 17 1690 | CONECT 16 15 21 1691 | CONECT 17 15 18 19 1692 | CONECT 18 17 33 1693 | CONECT 19 17 20 21 1694 | CONECT 20 19 1695 | CONECT 21 16 19 22 1696 | CONECT 22 21 23 32 1697 | CONECT 23 22 24 1698 | CONECT 24 23 25 1699 | CONECT 25 24 26 32 1700 | CONECT 26 25 27 28 1701 | CONECT 27 26 1702 | CONECT 28 26 29 1703 | CONECT 29 28 30 31 1704 | CONECT 30 29 1705 | CONECT 31 29 32 1706 | CONECT 32 22 25 31 1707 | CONECT 33 18 1708 | CONECT 115 1163 1709 | CONECT 307 1169 1710 | CONECT 806 1171 1711 | CONECT 1163 115 1264 1712 | CONECT 1164 1206 1713 | CONECT 1168 12 1714 | CONECT 1169 307 1715 | CONECT 1171 806 1716 | CONECT 1172 1173 1717 | CONECT 1173 1172 1174 1177 1718 | CONECT 1174 1173 1175 1176 1719 | CONECT 1175 1174 1720 | CONECT 1176 1174 1721 | CONECT 1177 1173 1178 1722 | CONECT 1178 1177 1179 1723 | CONECT 1179 1178 1180 1181 1724 | CONECT 1180 1179 1725 | CONECT 1181 1179 1182 1726 | CONECT 1182 1181 1183 1184 1727 | CONECT 1183 1182 1188 1728 | CONECT 1184 1182 1185 1186 1729 | CONECT 1185 1184 1730 | CONECT 1186 1184 1187 1188 1731 | CONECT 1187 1186 1732 | CONECT 1188 1183 1186 1189 1733 | CONECT 1189 1188 1190 1198 1734 | CONECT 1190 1189 1191 1735 | CONECT 1191 1190 1192 1736 | CONECT 1192 1191 1193 1198 1737 | CONECT 1193 1192 1194 1195 1738 | CONECT 1194 1193 1739 | CONECT 1195 1193 1196 1740 | CONECT 1196 1195 1197 1741 | CONECT 1197 1196 1198 1742 | CONECT 1198 1189 1192 1197 1743 | CONECT 1206 1164 1744 | CONECT 1264 1163 1745 | MASTER 333 0 17 0 0 0 4 6 1266 1 70 5 1746 | END 1747 | -------------------------------------------------------------------------------- /test_data/seq.fa: -------------------------------------------------------------------------------- 1 | >seq 2 | GUUCCCGAAAGGAUGGCGGAAACGCCAGAUGCCUUGUAACCGAAAGGGGGAAU --------------------------------------------------------------------------------