Mercurial > repos > earlhaminst > smina
changeset 0:7c0bb0c48a27 draft default tip
planemo upload for repository https://github.com/TGAC/earlham-galaxytools/tree/master/tools/smina/ commit b0a69750ca69548162f9b660eb45fc70c1e4f319-dirty
| author | earlhaminst |
|---|---|
| date | Tue, 08 May 2018 19:08:15 -0400 |
| parents | |
| children | |
| files | smina.xml test-data/ligand.pdbqt test-data/ligand_out.pdbqt test-data/output_smina test-data/protein.pdbqt |
| diffstat | 5 files changed, 3347 insertions(+), 0 deletions(-) [+] |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/smina.xml Tue May 08 19:08:15 2018 -0400 @@ -0,0 +1,197 @@ +<tool id="smina" name="smina" version="1.0"> + <description>Scoring and Minimization with AutoDock Vina</description> + <requirements> + <requirement type="package" version="2017.11.9">smina</requirement> + </requirements> + <command detect_errors="exit_code"><![CDATA[ +ln -s '$input.receptor' receptor.pdbqt && +ln -s '$input.ligand' ligand.pdbqt && +smina +--receptor receptor.pdbqt +--ligand ligand.pdbqt +#if $input.flex + --flex '$input.flex' +#end if +#if $input.flexres + --flexres '$input.flexres' +#end if +#if $input.flexdist_ligand + --flexdist_ligand '$input.flexdist_ligand' +#end if +#if str($input.flexdist) + --flexdist $input.flexdist +#end if + +--center_x $search_space.center_x +--center_y $search_space.center_y +--center_z $search_space.center_z +--size_x $search_space.size_x +--size_y $search_space.size_y +--size_z $search_space.size_z +#if $search_space.autobox_ligand + --autobox_ligand '$search_space.autobox_ligand' +#end if +#if str($search_space.autobox_add) + --autobox_add $search_space.autobox_add +#end if +$search_space.no_lig + +--out ligand_out.pdbqt +#if $output_sect.out_flex + --out_flex '$out_flex_output' +#end if +#if $output_sect.log + --log '$output_log' +#end if +#if $output_sect.atom_terms + --atom_terms '$atom_terms_output' +#end if +$output_sect.atom_term_data + +--scoring $scoring_and_minimization.scoring +#if $scoring_and_minimization.custom_scoring + --custom_scoring '$scoring_and_minimization.custom_scoring' +#end if +#if $scoring_and_minimization.custom_atoms + --custom_atoms '$scoring_and_minimization.custom_atoms' +#end if +$scoring_and_minimization.score_only +$scoring_and_minimization.local_only +$scoring_and_minimization.minimize +$scoring_and_minimization.randomize_only +--minimize_iters $scoring_and_minimization.minimize_iters +$scoring_and_minimization.accurate_line +$scoring_and_minimization.minimize_early_term +#if $scoring_and_minimization.approximation + --approximation $scoring_and_minimization.approximation +#end if +#if $scoring_and_minimization.factor + --factor $scoring_and_minimization.factor +#end if +#if str($scoring_and_minimization.force_cap) + --force_cap $scoring_and_minimization.force_cap +#end if +#if str($scoring_and_minimization.user_grid) + --user_grid $scoring_and_minimization.user_grid +#end if +--user_grid_lambda $scoring_and_minimization.user_grid_lambda +$scoring_and_minimization.print_terms +$scoring_and_minimization.print_atom_types + +--cpu \${GALAXY_SLOTS:-1} +#if str($misc.seed) + --seed $misc.seed +#end if +--exhaustiveness $misc.exhaustiveness +--num_modes $misc.num_modes +--energy_range $misc.energy_range +--min_rmsd_filter $misc.min_rmsd_filter +$misc.addH + ]]></command> + <inputs> + <section name="input" title="Input" expanded="True"> + <param argument="--receptor" type="data" format="pdbqt" label="Rigid part of the receptore" /> + <param argument="--ligand" type="data" format="pdbqt" label="Ligand(s)" /> + <param argument="--flex" type="data" format="pdbqt" optional="true" label="Flexible side chains, if any" /> + <param argument="--flexres" type="text" optional="true" label="Flexible side chains specified by comma separated list of chain:resid" /> + <param argument="--flexdist_ligand" type="data" format="data" optional="true" label="Ligand to use for flexdist" /> + <param argument="--flexdist" type="float" optional="true" label="Set all side chains within specified distance to flexdist_ligand to flexible" /> + </section> + <section name="search_space" title="Search space" expanded="True"> + <param argument="--center_x" type="float" value="0" label="X coordinate of the center" /> + <param argument="--center_y" type="float" value="0" label="Y coordinate of the center" /> + <param argument="--center_z" type="float" value="0" label="Z coordinate of the center" /> + <param argument="--size_x" type="integer" value="1" label="Size in the X dimension" /> + <param argument="--size_y" type="integer" value="1" label="Size in the Y dimension" /> + <param argument="--size_z" type="integer" value="1" label="Size in the Z dimension" /> + + <param argument="--autobox_ligand" type="data" format="data" optional="true" label="Ligand to use for autobox" /> + <param argument="--autobox_add" type="float" optional="true" label="Amount of buffer space to add to auto-generated box text" /> + <param argument="--no_lig" type="boolean" truevalue="--no_lig" falsevalue="" label="No ligand; for sampling/minimizing flexible residues" /> + </section> + <section name="output_sect" title="Output"> + <param argument="--out_flex" type="boolean" label="Write flexible receptor residues" /> + <param argument="--log" type="boolean" label="Write log file" /> + <param argument="--atom_terms" type="boolean" label="Write per-atom interaction term values" /> + <param argument="--atom_term_data" type="boolean" truevalue="--atom_term_data" falsevalue="" label="Embedded per-atom interaction terms in output sd data" /> + </section> + <section name="scoring_and_minimization" title="Scoring and minimization options"> + <param argument="--scoring" type="select" label="Specify alternative builtin scoring function"> + <option value="default" selected="true">default</option> + <option value="ad4_scoring">ad4_scoring</option> + <option value="dkoes_fast">dkoes_fast</option> + <option value="dkoes_scoring">dkoes_scoring</option> + <option value="dkoes_scoring_old">dkoes_scoring_old</option> + <option value="vina">vina</option> + <option value="vinardo">vinardo</option> + </param> + <param argument="--custom_scoring" type="data" format="data" optional="true" label="Custom scoring function file" /> + <param argument="--custom_atoms" type="data" format="data" optional="true" label="Custom atom type parameters file" /> + <param argument="--score_only" type="boolean" truevalue="--score_only" falsevalue="" label="Score provided ligand pose" /> + <param argument="--local_only" type="boolean" truevalue="--local_only" falsevalue="" label="Local search only using autobox" /> + <param argument="--minimize" type="boolean" truevalue="--minimize" falsevalue="" label="Energy minimization" /> + <param argument="--randomize_only" type="boolean" truevalue="--randomize_only" falsevalue="" label="Generate random poses, attempting to avoid clashes" /> + <param argument="--minimize_iters" type="integer" value="0" label="Number iterations of steepest descent" /> + <param argument="--accurate_line" type="boolean" truevalue="--accurate_line" falsevalue="" label="Accurate line search" /> + <param argument="--minimize_early_term" type="boolean" truevalue="--minimize_early_term" falsevalue="" label="Stop minimization before convergence conditions are fully met" /> + <param argument="--approximation" type="select" optional="true" label="Approximation"> + <option value="linear">linear</option> + <option value="spline">spline</option> + <option value="exact">exact</option> + </param> + <param argument="--factor" type="float" min="0" optional="true" label="Approximation factor: higher results in a finer-grained approximation" /> + <param argument="--force_cap" type="float" optional="true" label="Max allowed force; lower values more gently minimize clashing structures" /> + <param argument="--user_grid" type="float" optional="true" label="Autodock map file for user grid data based calculations" /> + <param argument="--user_grid_lambda" type="float" value="-1" label="Scales user_grid and functional scoring" /> + <param argument="--print_terms" type="boolean" truevalue="--print_terms" falsevalue="" label="Print all available terms with default parameterizations" /> + <param argument="--print_atom_types" type="boolean" truevalue="--print_atom_types" falsevalue="" label="Print all available atom types" /> + </section> + <section name="misc" title="Misc"> + <param argument="--seed" type="integer" optional="true" label="Explicit random seed" /> + <param argument="--exhaustiveness" type="integer" value="8" label="Exhaustiveness of the global search" /> + <param argument="--num_modes" type="integer" min="1" value="9" label="Maximum number of binding modes to generate" /> + <param argument="--energy_range" type="float" value="3" label="Maximum energy difference between the best binding mode and the worst one displayed (kcal/mol)" /> + <param argument="--min_rmsd_filter" type="float" value="1" label="Rmsd value used to filter final poses to remove redundancy" /> + <param argument="--addH" type="boolean" truevalue="" falsevalue="--addH false" checked="true" label="Automatically add hydrogens in ligands" /> + </section> + </inputs> + <outputs> + <data name="output" format="pdbqt" from_work_dir="ligand_out.pdbqt" /> + <data name="out_flex_output" format="txt" label="smina: flexible receptor residues"> + <filter>output_sect['out_flex']</filter> + </data> + <data name="output_log" format="txt" label="smina: log file"> + <filter>output_sect['log']</filter> + </data> + <data name="atom_terms_output" format="txt" label="smima: per-atom interaction term values"> + <filter>output_sect['atom_terms']</filter> + </data> + </outputs> + <tests> + <test> + <param name="receptor" value="protein.pdbqt" /> + <param name="ligand" value="ligand.pdbqt" /> + <param name="center_x" value="11" /> + <param name="center_y" value="90.5" /> + <param name="center_z" value="57.5" /> + <param name="size_x" value="22" /> + <param name="size_y" value="24" /> + <param name="size_z" value="28" /> + <param name="log" value="True" /> + <param name="seed" value="1000" /> + <param name="num_modes" value="5" /> + <output name="output" file="ligand_out.pdbqt" /> + <output name="output_log" file="output_smina" /> + </test> + </tests> + <help><![CDATA[ +************ +Description +************ + +`smina <https://sourceforge.net/projects/smina/>`_ is a fork of `AutoDock Vina <http://vina.scripps.edu/>`_ that is customized to better support scoring function development and high-performance energy minimization. smina is maintained by David Koes at the University of Pittsburgh and is not directly affiliated with the AutoDock project. + ]]></help> + <citations> + <citation type="doi">10.1021/ci300604z</citation> + </citations> +</tool>
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/ligand.pdbqt Tue May 08 19:08:15 2018 -0400 @@ -0,0 +1,66 @@ +REMARK 7 active torsions: +REMARK status: ('A' for Active; 'I' for Inactive) +REMARK 1 A between atoms: C5_5 and C7_7 +REMARK 2 A between atoms: C9_9 and N13_13 +REMARK 3 A between atoms: N13_13 and C14_14 +REMARK 4 A between atoms: C16_16 and N21_21 +REMARK I between atoms: N21_21 and C22_22 +REMARK 5 A between atoms: C22_22 and C23_23 +REMARK 6 A between atoms: C27_26 and C46_30 +REMARK 7 A between atoms: C46_30 and N48_31 +ROOT +HETATM 1 C1 STI 202 15.290 78.984 63.105 1.00 0.00 -0.001 A +HETATM 2 C2 STI 202 14.162 78.322 62.514 1.00 0.00 0.095 A +HETATM 3 N3 STI 202 14.348 77.405 61.475 1.00 0.00 -0.243 NA +HETATM 4 C4 STI 202 15.604 77.088 60.967 1.00 0.00 0.097 A +HETATM 5 C5 STI 202 16.790 77.718 61.516 1.00 0.00 0.020 A +HETATM 6 C6 STI 202 16.610 78.678 62.599 1.00 0.00 0.057 A +ENDROOT +BRANCH 5 7 +HETATM 7 C7 STI 202 18.135 77.365 60.950 1.00 0.00 0.099 A +HETATM 8 N8 STI 202 18.991 76.649 61.763 1.00 0.00 -0.061 NA +HETATM 9 C9 STI 202 20.233 76.272 61.350 1.00 0.00 0.728 A +HETATM 10 N10 STI 202 20.667 76.608 60.078 1.00 0.00 -0.059 NA +HETATM 11 C11 STI 202 19.854 77.325 59.216 1.00 0.00 0.119 A +HETATM 12 C12 STI 202 18.556 77.729 59.622 1.00 0.00 0.041 A +BRANCH 9 13 +HETATM 13 N13 STI 202 21.026 75.546 62.243 1.00 0.00 -0.190 N +HETATM 14 H STI 202 20.822 74.493 62.382 1.00 0.00 0.184 HD +BRANCH 13 15 +HETATM 15 C14 STI 202 22.078 76.132 62.968 1.00 0.00 0.052 A +HETATM 16 C15 STI 202 21.784 76.754 64.221 1.00 0.00 0.087 A +HETATM 17 C16 STI 202 22.842 77.373 65.022 1.00 0.00 0.042 A +HETATM 18 C17 STI 202 24.173 77.343 64.522 1.00 0.00 0.013 A +HETATM 19 C18 STI 202 24.483 76.718 63.261 1.00 0.00 -0.002 A +HETATM 20 C19 STI 202 23.455 76.105 62.465 1.00 0.00 -0.009 A +HETATM 21 C20 STI 202 23.868 75.449 61.126 1.00 0.00 0.032 C +BRANCH 17 22 +HETATM 22 N21 STI 202 22.625 78.015 66.297 1.00 0.00 -0.325 N +HETATM 23 C22 STI 202 21.459 78.556 66.802 1.00 0.00 0.253 C +HETATM 24 O29 STI 202 20.459 78.777 66.146 1.00 0.00 -0.268 OA +HETATM 25 H STI 202 23.491 78.080 66.943 1.00 0.00 0.169 HD +BRANCH 23 26 +HETATM 26 C23 STI 202 21.395 78.922 68.248 1.00 0.00 0.034 A +HETATM 27 C25 STI 202 22.608 78.977 69.064 1.00 0.00 0.036 A +HETATM 28 C26 STI 202 22.516 79.314 70.461 1.00 0.00 0.029 A +HETATM 29 C27 STI 202 21.216 79.597 71.045 1.00 0.00 -0.011 A +HETATM 30 C28 STI 202 20.031 79.541 70.215 1.00 0.00 -0.007 A +HETATM 31 C29 STI 202 20.112 79.211 68.845 1.00 0.00 -0.000 A +BRANCH 29 32 +HETATM 32 C46 STI 202 21.035 79.941 72.527 1.00 0.00 0.273 C +BRANCH 32 33 +HETATM 33 N48 STI 202 21.864 81.048 73.091 1.00 0.00 0.145 N +HETATM 34 C49 STI 202 23.277 80.579 73.421 1.00 0.00 0.286 C +HETATM 35 C50 STI 202 24.142 81.743 73.995 1.00 0.00 0.286 C +HETATM 36 N51 STI 202 23.461 82.314 75.230 1.00 0.00 0.143 N +HETATM 37 C52 STI 202 22.054 82.791 74.907 1.00 0.00 0.286 C +HETATM 38 C54 STI 202 24.311 83.368 75.810 1.00 0.00 0.285 C +HETATM 39 C53 STI 202 21.211 81.634 74.310 1.00 0.00 0.286 C +ENDBRANCH 32 33 +ENDBRANCH 29 32 +ENDBRANCH 23 26 +ENDBRANCH 17 22 +ENDBRANCH 13 15 +ENDBRANCH 9 13 +ENDBRANCH 5 7 +TORSDOF 7
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/ligand_out.pdbqt Tue May 08 19:08:15 2018 -0400 @@ -0,0 +1,350 @@ +MODEL 1 +REMARK minimizedAffinity -10.8892946 +REMARK minimizedRMSD -1 +REMARK 7 active torsions: +REMARK status: ('A' for Active; 'I' for Inactive) +REMARK 1 A between atoms: C5_5 and C7_7 +REMARK 2 A between atoms: C9_9 and N13_13 +REMARK 3 A between atoms: N13_13 and C14_14 +REMARK 4 A between atoms: C16_16 and N21_21 +REMARK I between atoms: N21_21 and C22_22 +REMARK 5 A between atoms: C22_22 and C23_23 +REMARK 6 A between atoms: C27_26 and C46_30 +REMARK 7 A between atoms: C46_30 and N48_31 +ROOT +HETATM 1 C1 STI 202 7.561 86.944 59.932 1.00 0.00 -0.001 A +HETATM 2 C2 STI 202 6.623 86.724 58.868 1.00 0.00 0.095 A +HETATM 3 N3 STI 202 5.753 87.746 58.474 1.00 0.00 -0.243 NA +HETATM 4 C4 STI 202 5.746 89.001 59.074 1.00 0.00 0.097 A +HETATM 5 C5 STI 202 6.667 89.295 60.156 1.00 0.00 0.020 A +HETATM 6 C6 STI 202 7.578 88.238 60.578 1.00 0.00 0.057 A +ENDROOT +BRANCH 5 7 +HETATM 7 C7 STI 202 6.639 90.655 60.792 1.00 0.00 0.099 A +HETATM 8 N8 STI 202 7.383 90.826 61.943 1.00 0.00 -0.061 NA +HETATM 9 C9 STI 202 7.433 92.018 62.599 1.00 0.00 0.728 A +HETATM 10 N10 STI 202 6.723 93.103 62.112 1.00 0.00 -0.059 NA +HETATM 11 C11 STI 202 5.960 92.994 60.962 1.00 0.00 0.119 A +HETATM 12 C12 STI 202 5.891 91.763 60.259 1.00 0.00 0.041 A +BRANCH 9 13 +HETATM 13 N13 STI 202 8.217 92.095 63.754 1.00 0.00 -0.190 N +HETATM 14 H STI 202 7.871 91.599 64.651 1.00 0.00 0.184 HD +BRANCH 13 15 +HETATM 15 C14 STI 202 9.437 92.792 63.795 1.00 0.00 0.052 A +HETATM 16 C15 STI 202 9.632 93.885 62.894 1.00 0.00 0.087 A +HETATM 17 C16 STI 202 10.880 94.651 62.898 1.00 0.00 0.042 A +HETATM 18 C17 STI 202 11.897 94.280 63.820 1.00 0.00 0.013 A +HETATM 19 C18 STI 202 11.712 93.181 64.734 1.00 0.00 -0.002 A +HETATM 20 C19 STI 202 10.492 92.421 64.743 1.00 0.00 -0.009 A +HETATM 21 C20 STI 202 10.367 91.260 65.758 1.00 0.00 0.032 C +BRANCH 17 22 +HETATM 22 N21 STI 202 11.149 95.768 62.024 1.00 0.00 -0.325 N +HETATM 23 C22 STI 202 12.328 96.097 61.384 1.00 0.00 0.253 C +HETATM 24 O29 STI 202 13.411 95.605 61.636 1.00 0.00 -0.268 OA +HETATM 25 H STI 202 10.317 96.437 61.847 1.00 0.00 0.169 HD +BRANCH 23 26 +HETATM 26 C23 STI 202 12.307 97.137 60.314 1.00 0.00 0.034 A +HETATM 27 C25 STI 202 11.261 98.159 60.279 1.00 0.00 0.036 A +HETATM 28 C26 STI 202 11.253 99.140 59.224 1.00 0.00 0.029 A +HETATM 29 C27 STI 202 12.288 99.103 58.205 1.00 0.00 -0.011 A +HETATM 30 C28 STI 202 13.315 98.085 58.264 1.00 0.00 -0.007 A +HETATM 31 C29 STI 202 13.330 97.119 59.294 1.00 0.00 -0.000 A +BRANCH 29 32 +HETATM 32 C46 STI 202 12.334 100.097 57.040 1.00 0.00 0.273 C +BRANCH 32 33 +HETATM 33 N48 STI 202 13.077 99.693 55.809 1.00 0.00 0.145 N +HETATM 34 C49 STI 202 14.377 100.475 55.656 1.00 0.00 0.286 C +HETATM 35 C50 STI 202 15.156 100.038 54.377 1.00 0.00 0.286 C +HETATM 36 N51 STI 202 14.266 100.228 53.158 1.00 0.00 0.143 N +HETATM 37 C52 STI 202 12.970 99.445 53.299 1.00 0.00 0.286 C +HETATM 38 C54 STI 202 15.024 99.878 51.944 1.00 0.00 0.285 C +HETATM 39 C53 STI 202 12.218 99.866 54.589 1.00 0.00 0.286 C +ENDBRANCH 32 33 +ENDBRANCH 29 32 +ENDBRANCH 23 26 +ENDBRANCH 17 22 +ENDBRANCH 13 15 +ENDBRANCH 9 13 +ENDBRANCH 5 7 +TORSDOF 7 +ENDMDL +MODEL 2 +REMARK minimizedAffinity -10.8373051 +REMARK minimizedRMSD -1 +REMARK 7 active torsions: +REMARK status: ('A' for Active; 'I' for Inactive) +REMARK 1 A between atoms: C5_5 and C7_7 +REMARK 2 A between atoms: C9_9 and N13_13 +REMARK 3 A between atoms: N13_13 and C14_14 +REMARK 4 A between atoms: C16_16 and N21_21 +REMARK I between atoms: N21_21 and C22_22 +REMARK 5 A between atoms: C22_22 and C23_23 +REMARK 6 A between atoms: C27_26 and C46_30 +REMARK 7 A between atoms: C46_30 and N48_31 +ROOT +HETATM 1 C1 STI 202 4.845 93.518 63.509 1.00 0.00 -0.001 A +HETATM 2 C2 STI 202 5.034 93.804 62.115 1.00 0.00 0.095 A +HETATM 3 N3 STI 202 6.235 93.467 61.483 1.00 0.00 -0.243 NA +HETATM 4 C4 STI 202 7.289 92.850 62.149 1.00 0.00 0.097 A +HETATM 5 C5 STI 202 7.169 92.531 63.559 1.00 0.00 0.020 A +HETATM 6 C6 STI 202 5.923 92.879 64.232 1.00 0.00 0.057 A +ENDROOT +BRANCH 5 7 +HETATM 7 C7 STI 202 8.321 91.870 64.260 1.00 0.00 0.099 A +HETATM 8 N8 STI 202 9.412 92.661 64.561 1.00 0.00 -0.061 NA +HETATM 9 C9 STI 202 10.509 92.167 65.200 1.00 0.00 0.728 A +HETATM 10 N10 STI 202 10.548 90.832 65.566 1.00 0.00 -0.059 NA +HETATM 11 C11 STI 202 9.485 89.988 65.292 1.00 0.00 0.119 A +HETATM 12 C12 STI 202 8.331 90.478 64.629 1.00 0.00 0.041 A +BRANCH 9 13 +HETATM 13 N13 STI 202 11.562 93.047 65.465 1.00 0.00 -0.190 N +HETATM 14 H STI 202 11.583 93.561 66.416 1.00 0.00 0.184 HD +BRANCH 13 15 +HETATM 15 C14 STI 202 12.595 93.289 64.543 1.00 0.00 0.052 A +HETATM 16 C15 STI 202 12.366 94.226 63.488 1.00 0.00 0.087 A +HETATM 17 C16 STI 202 13.409 94.523 62.504 1.00 0.00 0.042 A +HETATM 18 C17 STI 202 14.658 93.853 62.621 1.00 0.00 0.013 A +HETATM 19 C18 STI 202 14.902 92.906 63.680 1.00 0.00 -0.002 A +HETATM 20 C19 STI 202 13.888 92.607 64.654 1.00 0.00 -0.009 A +HETATM 21 C20 STI 202 14.228 91.584 65.764 1.00 0.00 0.032 C +BRANCH 17 22 +HETATM 22 N21 STI 202 13.256 95.459 61.416 1.00 0.00 -0.325 N +HETATM 23 C22 STI 202 12.214 96.331 61.169 1.00 0.00 0.253 C +HETATM 24 O29 STI 202 11.133 96.289 61.724 1.00 0.00 -0.268 OA +HETATM 25 H STI 202 14.067 95.481 60.698 1.00 0.00 0.169 HD +BRANCH 23 26 +HETATM 26 C23 STI 202 12.389 97.399 60.141 1.00 0.00 0.034 A +HETATM 27 C25 STI 202 11.453 98.521 60.056 1.00 0.00 0.036 A +HETATM 28 C26 STI 202 11.634 99.529 59.043 1.00 0.00 0.029 A +HETATM 29 C27 STI 202 12.746 99.419 58.115 1.00 0.00 -0.011 A +HETATM 30 C28 STI 202 13.661 98.302 58.223 1.00 0.00 -0.007 A +HETATM 31 C29 STI 202 13.491 97.310 59.213 1.00 0.00 -0.000 A +BRANCH 29 32 +HETATM 32 C46 STI 202 12.991 100.438 56.998 1.00 0.00 0.273 C +BRANCH 32 33 +HETATM 33 N48 STI 202 13.583 99.941 55.720 1.00 0.00 0.145 N +HETATM 34 C49 STI 202 14.907 100.630 55.409 1.00 0.00 0.286 C +HETATM 35 C50 STI 202 15.527 100.095 54.081 1.00 0.00 0.286 C +HETATM 36 N51 STI 202 14.535 100.298 52.946 1.00 0.00 0.143 N +HETATM 37 C52 STI 202 13.214 99.607 53.245 1.00 0.00 0.286 C +HETATM 38 C54 STI 202 15.147 99.854 51.681 1.00 0.00 0.285 C +HETATM 39 C53 STI 202 12.620 100.124 54.581 1.00 0.00 0.286 C +ENDBRANCH 32 33 +ENDBRANCH 29 32 +ENDBRANCH 23 26 +ENDBRANCH 17 22 +ENDBRANCH 13 15 +ENDBRANCH 9 13 +ENDBRANCH 5 7 +TORSDOF 7 +ENDMDL +MODEL 3 +REMARK minimizedAffinity -10.4571934 +REMARK minimizedRMSD -1 +REMARK 7 active torsions: +REMARK status: ('A' for Active; 'I' for Inactive) +REMARK 1 A between atoms: C5_5 and C7_7 +REMARK 2 A between atoms: C9_9 and N13_13 +REMARK 3 A between atoms: N13_13 and C14_14 +REMARK 4 A between atoms: C16_16 and N21_21 +REMARK I between atoms: N21_21 and C22_22 +REMARK 5 A between atoms: C22_22 and C23_23 +REMARK 6 A between atoms: C27_26 and C46_30 +REMARK 7 A between atoms: C46_30 and N48_31 +ROOT +HETATM 1 C1 STI 202 7.985 89.573 68.668 1.00 0.00 -0.001 A +HETATM 2 C2 STI 202 9.281 89.063 69.012 1.00 0.00 0.095 A +HETATM 3 N3 STI 202 10.381 89.317 68.187 1.00 0.00 -0.243 NA +HETATM 4 C4 STI 202 10.285 90.061 67.014 1.00 0.00 0.097 A +HETATM 5 C5 STI 202 9.006 90.608 66.603 1.00 0.00 0.020 A +HETATM 6 C6 STI 202 7.851 90.348 67.454 1.00 0.00 0.057 A +ENDROOT +BRANCH 5 7 +HETATM 7 C7 STI 202 8.924 91.403 65.332 1.00 0.00 0.099 A +HETATM 8 N8 STI 202 9.616 92.597 65.292 1.00 0.00 -0.061 NA +HETATM 9 C9 STI 202 9.615 93.396 64.189 1.00 0.00 0.728 A +HETATM 10 N10 STI 202 8.904 93.014 63.063 1.00 0.00 -0.059 NA +HETATM 11 C11 STI 202 8.191 91.827 63.042 1.00 0.00 0.119 A +HETATM 12 C12 STI 202 8.176 90.977 64.178 1.00 0.00 0.041 A +BRANCH 9 13 +HETATM 13 N13 STI 202 10.348 94.585 64.242 1.00 0.00 -0.190 N +HETATM 14 H STI 202 10.010 95.375 64.898 1.00 0.00 0.184 HD +BRANCH 13 15 +HETATM 15 C14 STI 202 11.508 94.792 63.475 1.00 0.00 0.052 A +HETATM 16 C15 STI 202 11.402 95.535 62.259 1.00 0.00 0.087 A +HETATM 17 C16 STI 202 12.579 95.788 61.425 1.00 0.00 0.042 A +HETATM 18 C17 STI 202 13.834 95.274 61.853 1.00 0.00 0.013 A +HETATM 19 C18 STI 202 13.954 94.524 63.078 1.00 0.00 -0.002 A +HETATM 20 C19 STI 202 12.808 94.270 63.907 1.00 0.00 -0.009 A +HETATM 21 C20 STI 202 13.020 93.462 65.210 1.00 0.00 0.032 C +BRANCH 17 22 +HETATM 22 N21 STI 202 12.553 96.533 60.188 1.00 0.00 -0.325 N +HETATM 23 C22 STI 202 11.901 97.718 59.910 1.00 0.00 0.253 C +HETATM 24 O29 STI 202 11.046 98.220 60.616 1.00 0.00 -0.268 OA +HETATM 25 H STI 202 13.120 96.107 59.372 1.00 0.00 0.169 HD +BRANCH 23 26 +HETATM 26 C23 STI 202 12.233 98.452 58.652 1.00 0.00 0.034 A +HETATM 27 C25 STI 202 13.608 98.855 58.358 1.00 0.00 0.036 A +HETATM 28 C26 STI 202 13.898 99.579 57.147 1.00 0.00 0.029 A +HETATM 29 C27 STI 202 12.818 99.899 56.229 1.00 0.00 -0.011 A +HETATM 30 C28 STI 202 11.467 99.484 56.541 1.00 0.00 -0.007 A +HETATM 31 C29 STI 202 11.173 98.775 57.725 1.00 0.00 -0.000 A +BRANCH 29 32 +HETATM 32 C46 STI 202 13.044 100.685 54.933 1.00 0.00 0.273 C +BRANCH 32 33 +HETATM 33 N48 STI 202 14.232 100.327 54.101 1.00 0.00 0.145 N +HETATM 34 C49 STI 202 15.249 101.462 54.059 1.00 0.00 0.286 C +HETATM 35 C50 STI 202 16.494 101.077 53.201 1.00 0.00 0.286 C +HETATM 36 N51 STI 202 16.041 100.707 51.796 1.00 0.00 0.143 N +HETATM 37 C52 STI 202 15.032 99.570 51.829 1.00 0.00 0.286 C +HETATM 38 C54 STI 202 17.222 100.408 50.968 1.00 0.00 0.285 C +HETATM 39 C53 STI 202 13.812 99.952 52.708 1.00 0.00 0.286 C +ENDBRANCH 32 33 +ENDBRANCH 29 32 +ENDBRANCH 23 26 +ENDBRANCH 17 22 +ENDBRANCH 13 15 +ENDBRANCH 9 13 +ENDBRANCH 5 7 +TORSDOF 7 +ENDMDL +MODEL 4 +REMARK minimizedAffinity -10.4147682 +REMARK minimizedRMSD -1 +REMARK 7 active torsions: +REMARK status: ('A' for Active; 'I' for Inactive) +REMARK 1 A between atoms: C5_5 and C7_7 +REMARK 2 A between atoms: C9_9 and N13_13 +REMARK 3 A between atoms: N13_13 and C14_14 +REMARK 4 A between atoms: C16_16 and N21_21 +REMARK I between atoms: N21_21 and C22_22 +REMARK 5 A between atoms: C22_22 and C23_23 +REMARK 6 A between atoms: C27_26 and C46_30 +REMARK 7 A between atoms: C46_30 and N48_31 +ROOT +HETATM 1 C1 STI 202 5.594 94.111 59.789 1.00 0.00 -0.001 A +HETATM 2 C2 STI 202 4.485 93.201 59.722 1.00 0.00 0.095 A +HETATM 3 N3 STI 202 4.471 92.048 60.512 1.00 0.00 -0.243 NA +HETATM 4 C4 STI 202 5.503 91.723 61.387 1.00 0.00 0.097 A +HETATM 5 C5 STI 202 6.655 92.596 61.508 1.00 0.00 0.020 A +HETATM 6 C6 STI 202 6.684 93.802 60.688 1.00 0.00 0.057 A +ENDROOT +BRANCH 5 7 +HETATM 7 C7 STI 202 7.759 92.224 62.455 1.00 0.00 0.099 A +HETATM 8 N8 STI 202 8.606 93.236 62.862 1.00 0.00 -0.061 NA +HETATM 9 C9 STI 202 9.638 93.012 63.722 1.00 0.00 0.728 A +HETATM 10 N10 STI 202 9.859 91.736 64.215 1.00 0.00 -0.059 NA +HETATM 11 C11 STI 202 9.044 90.680 63.844 1.00 0.00 0.119 A +HETATM 12 C12 STI 202 7.962 90.887 62.950 1.00 0.00 0.041 A +BRANCH 9 13 +HETATM 13 N13 STI 202 10.439 94.100 64.078 1.00 0.00 -0.190 N +HETATM 14 H STI 202 10.152 94.700 64.931 1.00 0.00 0.184 HD +BRANCH 13 15 +HETATM 15 C14 STI 202 11.604 94.446 63.370 1.00 0.00 0.052 A +HETATM 16 C15 STI 202 11.480 95.267 62.207 1.00 0.00 0.087 A +HETATM 17 C16 STI 202 12.660 95.664 61.436 1.00 0.00 0.042 A +HETATM 18 C17 STI 202 13.935 95.211 61.871 1.00 0.00 0.013 A +HETATM 19 C18 STI 202 14.074 94.384 63.043 1.00 0.00 -0.002 A +HETATM 20 C19 STI 202 12.925 93.988 63.811 1.00 0.00 -0.009 A +HETATM 21 C20 STI 202 13.156 93.104 65.060 1.00 0.00 0.032 C +BRANCH 17 22 +HETATM 22 N21 STI 202 12.616 96.494 60.255 1.00 0.00 -0.325 N +HETATM 23 C22 STI 202 11.817 97.592 60.002 1.00 0.00 0.253 C +HETATM 24 O29 STI 202 10.846 97.907 60.664 1.00 0.00 -0.268 OA +HETATM 25 H STI 202 13.302 96.220 59.463 1.00 0.00 0.169 HD +BRANCH 23 26 +HETATM 26 C23 STI 202 12.130 98.463 58.831 1.00 0.00 0.034 A +HETATM 27 C25 STI 202 11.073 98.914 57.926 1.00 0.00 0.036 A +HETATM 28 C26 STI 202 11.405 99.739 56.792 1.00 0.00 0.029 A +HETATM 29 C27 STI 202 12.789 100.114 56.561 1.00 0.00 -0.011 A +HETATM 30 C28 STI 202 13.816 99.660 57.475 1.00 0.00 -0.007 A +HETATM 31 C29 STI 202 13.500 98.851 58.588 1.00 0.00 -0.000 A +BRANCH 29 32 +HETATM 32 C46 STI 202 13.223 100.970 55.367 1.00 0.00 0.273 C +BRANCH 32 33 +HETATM 33 N48 STI 202 14.241 100.399 54.435 1.00 0.00 0.145 N +HETATM 34 C49 STI 202 15.398 101.366 54.207 1.00 0.00 0.286 C +HETATM 35 C50 STI 202 16.465 100.758 53.245 1.00 0.00 0.286 C +HETATM 36 N51 STI 202 15.802 100.389 51.926 1.00 0.00 0.143 N +HETATM 37 C52 STI 202 14.652 99.419 52.145 1.00 0.00 0.286 C +HETATM 38 C54 STI 202 16.823 99.877 50.996 1.00 0.00 0.285 C +HETATM 39 C53 STI 202 13.611 100.021 53.125 1.00 0.00 0.286 C +ENDBRANCH 32 33 +ENDBRANCH 29 32 +ENDBRANCH 23 26 +ENDBRANCH 17 22 +ENDBRANCH 13 15 +ENDBRANCH 9 13 +ENDBRANCH 5 7 +TORSDOF 7 +ENDMDL +MODEL 5 +REMARK minimizedAffinity -10.1429949 +REMARK minimizedRMSD -1 +REMARK 7 active torsions: +REMARK status: ('A' for Active; 'I' for Inactive) +REMARK 1 A between atoms: C5_5 and C7_7 +REMARK 2 A between atoms: C9_9 and N13_13 +REMARK 3 A between atoms: N13_13 and C14_14 +REMARK 4 A between atoms: C16_16 and N21_21 +REMARK I between atoms: N21_21 and C22_22 +REMARK 5 A between atoms: C22_22 and C23_23 +REMARK 6 A between atoms: C27_26 and C46_30 +REMARK 7 A between atoms: C46_30 and N48_31 +ROOT +HETATM 1 C1 STI 202 5.231 90.115 68.570 1.00 0.00 -0.001 A +HETATM 2 C2 STI 202 3.814 89.956 68.734 1.00 0.00 0.095 A +HETATM 3 N3 STI 202 2.934 90.427 67.756 1.00 0.00 -0.243 NA +HETATM 4 C4 STI 202 3.368 91.059 66.595 1.00 0.00 0.097 A +HETATM 5 C5 STI 202 4.786 91.254 66.360 1.00 0.00 0.020 A +HETATM 6 C6 STI 202 5.715 90.770 67.374 1.00 0.00 0.057 A +ENDROOT +BRANCH 5 7 +HETATM 7 C7 STI 202 5.232 91.943 65.103 1.00 0.00 0.099 A +HETATM 8 N8 STI 202 6.527 91.710 64.684 1.00 0.00 -0.061 NA +HETATM 9 C9 STI 202 7.035 92.280 63.556 1.00 0.00 0.728 A +HETATM 10 N10 STI 202 6.241 93.121 62.792 1.00 0.00 -0.059 NA +HETATM 11 C11 STI 202 4.934 93.393 63.160 1.00 0.00 0.119 A +HETATM 12 C12 STI 202 4.382 92.812 64.331 1.00 0.00 0.041 A +BRANCH 9 13 +HETATM 13 N13 STI 202 8.356 91.981 63.211 1.00 0.00 -0.190 N +HETATM 14 H STI 202 8.567 91.035 62.732 1.00 0.00 0.184 HD +BRANCH 13 15 +HETATM 15 C14 STI 202 9.421 92.863 63.463 1.00 0.00 0.052 A +HETATM 16 C15 STI 202 9.697 93.894 62.512 1.00 0.00 0.087 A +HETATM 17 C16 STI 202 10.789 94.845 62.727 1.00 0.00 0.042 A +HETATM 18 C17 STI 202 11.573 94.718 63.907 1.00 0.00 0.013 A +HETATM 19 C18 STI 202 11.304 93.684 64.875 1.00 0.00 -0.002 A +HETATM 20 C19 STI 202 10.234 92.745 64.677 1.00 0.00 -0.009 A +HETATM 21 C20 STI 202 10.004 91.668 65.764 1.00 0.00 0.032 C +BRANCH 17 22 +HETATM 22 N21 STI 202 11.127 95.914 61.817 1.00 0.00 -0.325 N +HETATM 23 C22 STI 202 12.376 96.328 61.399 1.00 0.00 0.253 C +HETATM 24 O29 STI 202 13.424 95.989 61.915 1.00 0.00 -0.268 OA +HETATM 25 H STI 202 10.289 96.463 61.407 1.00 0.00 0.169 HD +BRANCH 23 26 +HETATM 26 C23 STI 202 12.481 97.271 60.246 1.00 0.00 0.034 A +HETATM 27 C25 STI 202 13.624 97.220 59.335 1.00 0.00 0.036 A +HETATM 28 C26 STI 202 13.710 98.154 58.242 1.00 0.00 0.029 A +HETATM 29 C27 STI 202 12.657 99.137 58.056 1.00 0.00 -0.011 A +HETATM 30 C28 STI 202 11.533 99.164 58.969 1.00 0.00 -0.007 A +HETATM 31 C29 STI 202 11.441 98.252 60.043 1.00 0.00 -0.000 A +BRANCH 29 32 +HETATM 32 C46 STI 202 12.689 100.177 56.931 1.00 0.00 0.273 C +BRANCH 32 33 +HETATM 33 N48 STI 202 13.454 99.840 55.694 1.00 0.00 0.145 N +HETATM 34 C49 STI 202 14.800 100.555 55.654 1.00 0.00 0.286 C +HETATM 35 C50 STI 202 15.601 100.187 54.367 1.00 0.00 0.286 C +HETATM 36 N51 STI 202 14.769 100.535 53.141 1.00 0.00 0.143 N +HETATM 37 C52 STI 202 13.428 99.820 53.170 1.00 0.00 0.286 C +HETATM 38 C54 STI 202 15.552 100.250 51.926 1.00 0.00 0.285 C +HETATM 39 C53 STI 202 12.653 100.170 54.467 1.00 0.00 0.286 C +ENDBRANCH 32 33 +ENDBRANCH 29 32 +ENDBRANCH 23 26 +ENDBRANCH 17 22 +ENDBRANCH 13 15 +ENDBRANCH 9 13 +ENDBRANCH 5 7 +TORSDOF 7 +ENDMDL
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/output_smina Tue May 08 19:08:15 2018 -0400 @@ -0,0 +1,30 @@ + _______ _______ _________ _ _______ + ( ____ \( )\__ __/( ( /|( ___ ) + | ( \/| () () | ) ( | \ ( || ( ) | + | (_____ | || || | | | | \ | || (___) | + (_____ )| |(_)| | | | | (\ \) || ___ | + ) || | | | | | | | \ || ( ) | + /\____) || ) ( |___) (___| ) \ || ) ( | + \_______)|/ \|\_______/|/ )_)|/ \| + + +smina is based off AutoDock Vina. Please cite appropriately. + +Weights Terms +-0.035579 gauss(o=0,_w=0.5,_c=8) +-0.005156 gauss(o=3,_w=2,_c=8) +0.840245 repulsion(o=0,_c=8) +-0.035069 hydrophobic(g=0.5,_b=1.5,_c=8) +-0.587439 non_dir_h_bond(g=-0.7,_b=0,_c=8) +1.923 num_tors_div + +Using random seed: 1000 + +mode | affinity | dist from best mode + | (kcal/mol) | rmsd l.b.| rmsd u.b. +-----+------------+----------+---------- +1 -10.9 0.000 0.000 +2 -10.8 2.596 3.684 +3 -10.5 2.869 4.597 +4 -10.4 2.255 3.321 +5 -10.1 2.651 3.907
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/protein.pdbqt Tue May 08 19:08:15 2018 -0400 @@ -0,0 +1,2704 @@ +REMARK 4 XXXX COMPLIES WITH FORMAT V. 2.0 +ATOM 1 N MET B 225 8.895 115.777 72.069 1.00 66.21 -0.058 N +ATOM 2 HN1 MET B 225 9.110 116.757 71.885 1.00 0.00 0.276 HD +ATOM 3 HN2 MET B 225 8.532 115.302 71.243 1.00 0.00 0.276 HD +ATOM 4 HN3 MET B 225 9.737 115.217 72.203 1.00 0.00 0.276 HD +ATOM 5 CA MET B 225 7.964 115.677 73.229 1.00 67.57 0.256 C +ATOM 6 C MET B 225 8.577 116.332 74.473 1.00 67.86 0.259 C +ATOM 7 O MET B 225 9.799 116.348 74.640 1.00 65.18 -0.271 OA +ATOM 8 CB MET B 225 7.641 114.206 73.505 1.00 69.59 0.051 C +ATOM 9 CG MET B 225 6.364 113.982 74.294 1.00 74.31 0.060 C +ATOM 10 SD MET B 225 5.924 112.234 74.408 1.00 78.96 -0.139 SA +ATOM 11 CE MET B 225 5.398 111.927 72.771 1.00 75.85 0.069 C +ATOM 12 N ASP B 226 7.720 116.875 75.335 1.00 67.79 -0.337 N +ATOM 13 HN ASP B 226 6.722 116.819 75.133 1.00 0.00 0.164 HD +ATOM 14 CA ASP B 226 8.152 117.550 76.561 1.00 65.70 0.170 C +ATOM 15 C ASP B 226 8.642 116.583 77.638 1.00 60.19 0.255 C +ATOM 16 O ASP B 226 7.934 115.651 78.012 1.00 58.11 -0.270 OA +ATOM 17 CB ASP B 226 7.001 118.404 77.109 1.00 72.35 0.129 C +ATOM 18 CG ASP B 226 7.265 118.916 78.515 1.00 77.69 0.188 C +ATOM 19 OD1 ASP B 226 8.325 119.540 78.739 1.00 80.27 -0.647 OA +ATOM 20 OD2 ASP B 226 6.406 118.698 79.397 1.00 80.93 -0.647 OA +ATOM 21 N PRO B 227 9.864 116.804 78.156 1.00 57.95 -0.312 N +ATOM 22 CA PRO B 227 10.484 115.970 79.194 1.00 56.85 0.163 C +ATOM 23 C PRO B 227 9.616 115.766 80.431 1.00 59.80 0.251 C +ATOM 24 O PRO B 227 9.603 114.682 81.013 1.00 60.52 -0.271 OA +ATOM 25 CB PRO B 227 11.767 116.724 79.522 1.00 56.20 0.034 C +ATOM 26 CG PRO B 227 12.113 117.376 78.233 1.00 58.49 0.027 C +ATOM 27 CD PRO B 227 10.774 117.891 77.754 1.00 57.18 0.105 C +ATOM 28 N SER B 228 8.899 116.812 80.833 1.00 61.30 -0.336 N +ATOM 29 HN SER B 228 8.956 117.684 80.308 1.00 0.00 0.164 HD +ATOM 30 CA SER B 228 8.032 116.744 82.007 1.00 64.43 0.189 C +ATOM 31 C SER B 228 6.834 115.817 81.792 1.00 66.62 0.254 C +ATOM 32 O SER B 228 6.408 115.119 82.714 1.00 66.74 -0.270 OA +ATOM 33 CB SER B 228 7.537 118.146 82.373 1.00 61.78 0.169 C +ATOM 34 OG SER B 228 8.629 119.010 82.648 1.00 60.05 -0.380 OA +ATOM 35 HG SER B 228 8.322 119.880 82.875 1.00 0.00 0.211 HD +ATOM 36 N SER B 229 6.299 115.818 80.574 1.00 68.62 -0.335 N +ATOM 37 HN SER B 229 6.705 116.422 79.859 1.00 0.00 0.164 HD +ATOM 38 CA SER B 229 5.151 114.985 80.225 1.00 71.77 0.189 C +ATOM 39 C SER B 229 5.192 113.597 80.847 1.00 72.94 0.257 C +ATOM 40 O SER B 229 6.250 112.971 80.936 1.00 73.97 -0.270 OA +ATOM 41 CB SER B 229 5.040 114.835 78.708 1.00 73.74 0.169 C +ATOM 42 OG SER B 229 4.090 113.836 78.376 1.00 73.66 -0.380 OA +ATOM 43 HG SER B 229 4.021 113.743 77.433 1.00 0.00 0.211 HD +ATOM 44 N PRO B 230 4.028 113.098 81.287 1.00 74.05 -0.312 N +ATOM 45 CA PRO B 230 3.893 111.777 81.908 1.00 73.39 0.163 C +ATOM 46 C PRO B 230 4.091 110.662 80.885 1.00 71.08 0.251 C +ATOM 47 O PRO B 230 4.531 109.563 81.220 1.00 72.24 -0.271 OA +ATOM 48 CB PRO B 230 2.462 111.792 82.449 1.00 73.99 0.034 C +ATOM 49 CG PRO B 230 2.173 113.250 82.650 1.00 75.89 0.027 C +ATOM 50 CD PRO B 230 2.775 113.861 81.418 1.00 75.12 0.105 C +ATOM 51 N ASN B 231 3.760 110.964 79.635 1.00 68.00 -0.337 N +ATOM 52 HN ASN B 231 3.418 111.903 79.429 1.00 0.00 0.164 HD +ATOM 53 CA ASN B 231 3.868 110.001 78.549 1.00 66.50 0.169 C +ATOM 54 C ASN B 231 5.108 110.248 77.689 1.00 62.44 0.251 C +ATOM 55 O ASN B 231 5.112 109.945 76.493 1.00 59.31 -0.271 OA +ATOM 56 CB ASN B 231 2.616 110.086 77.671 1.00 70.63 0.119 C +ATOM 57 CG ASN B 231 1.334 110.071 78.485 1.00 75.81 0.230 C +ATOM 58 ND2 ASN B 231 0.331 110.814 78.027 1.00 75.51 -0.369 N +ATOM 59 1HD2 ASN B 231 0.402 111.373 77.177 1.00 0.00 0.159 HD +ATOM 60 2HD2 ASN B 231 -0.530 110.804 78.574 1.00 0.00 0.159 HD +ATOM 61 OD1 ASN B 231 1.248 109.395 79.513 1.00 78.04 -0.273 OA +ATOM 62 N TYR B 232 6.161 110.794 78.291 1.00 55.60 -0.337 N +ATOM 63 HN TYR B 232 6.122 111.013 79.286 1.00 0.00 0.164 HD +ATOM 64 CA TYR B 232 7.370 111.079 77.529 1.00 49.85 0.164 C +ATOM 65 C TYR B 232 7.984 109.837 76.889 1.00 45.78 0.251 C +ATOM 66 O TYR B 232 8.133 108.792 77.522 1.00 43.52 -0.271 OA +ATOM 67 CB TYR B 232 8.434 111.756 78.400 1.00 45.84 0.058 C +ATOM 68 CG TYR B 232 9.658 112.166 77.601 1.00 40.92 -0.020 A +ATOM 69 CD1 TYR B 232 9.637 113.299 76.789 1.00 34.85 -0.002 A +ATOM 70 CD2 TYR B 232 10.815 111.384 77.608 1.00 39.96 -0.002 A +ATOM 71 CE1 TYR B 232 10.738 113.640 75.999 1.00 39.84 0.024 A +ATOM 72 CE2 TYR B 232 11.922 111.719 76.827 1.00 34.61 0.024 A +ATOM 73 CZ TYR B 232 11.876 112.843 76.027 1.00 34.91 0.089 A +ATOM 74 OH TYR B 232 12.964 113.174 75.259 1.00 37.48 -0.359 OA +ATOM 75 HH TYR B 232 13.742 112.629 75.278 1.00 0.00 0.217 HD +ATOM 76 N ASP B 233 8.331 109.970 75.618 1.00 44.38 -0.337 N +ATOM 77 HN ASP B 233 8.146 110.856 75.148 1.00 0.00 0.164 HD +ATOM 78 CA ASP B 233 8.966 108.899 74.867 1.00 44.16 0.170 C +ATOM 79 C ASP B 233 10.040 109.600 74.057 1.00 41.65 0.251 C +ATOM 80 O ASP B 233 9.730 110.435 73.207 1.00 42.40 -0.271 OA +ATOM 81 CB ASP B 233 7.971 108.224 73.924 1.00 49.77 0.129 C +ATOM 82 CG ASP B 233 8.572 107.027 73.212 1.00 56.17 0.188 C +ATOM 83 OD1 ASP B 233 9.699 107.150 72.683 1.00 58.30 -0.647 OA +ATOM 84 OD2 ASP B 233 7.919 105.964 73.178 1.00 59.83 -0.647 OA +ATOM 85 N LYS B 234 11.299 109.278 74.329 1.00 40.05 -0.338 N +ATOM 86 HN LYS B 234 11.493 108.576 75.043 1.00 0.00 0.164 HD +ATOM 87 CA LYS B 234 12.409 109.909 73.625 1.00 37.62 0.159 C +ATOM 88 C LYS B 234 12.375 109.653 72.124 1.00 38.66 0.251 C +ATOM 89 O LYS B 234 12.900 110.447 71.343 1.00 41.84 -0.271 OA +ATOM 90 CB LYS B 234 13.744 109.414 74.195 1.00 39.42 0.032 C +ATOM 91 CG LYS B 234 13.990 107.927 74.006 1.00 38.82 0.004 C +ATOM 92 CD LYS B 234 15.290 107.476 74.663 1.00 43.01 0.032 C +ATOM 93 CE LYS B 234 15.545 105.988 74.421 1.00 41.65 0.206 C +ATOM 94 NZ LYS B 234 16.740 105.477 75.160 1.00 39.76 -0.064 N +ATOM 95 HZ1 LYS B 234 16.910 104.484 74.999 1.00 0.00 0.275 HD +ATOM 96 HZ2 LYS B 234 16.666 105.677 76.157 1.00 0.00 0.275 HD +ATOM 97 HZ3 LYS B 234 17.569 106.030 74.941 1.00 0.00 0.275 HD +ATOM 98 N TRP B 235 11.752 108.553 71.713 1.00 38.60 -0.337 N +ATOM 99 HN TRP B 235 11.312 107.938 72.398 1.00 0.00 0.164 HD +ATOM 100 CA TRP B 235 11.688 108.212 70.294 1.00 38.95 0.164 C +ATOM 101 C TRP B 235 10.681 109.014 69.472 1.00 43.39 0.251 C +ATOM 102 O TRP B 235 10.825 109.136 68.251 1.00 40.63 -0.271 OA +ATOM 103 CB TRP B 235 11.416 106.717 70.135 1.00 39.35 0.060 C +ATOM 104 CG TRP B 235 12.536 105.863 70.657 1.00 36.65 -0.001 A +ATOM 105 CD1 TRP B 235 12.543 105.126 71.807 1.00 35.18 0.068 A +ATOM 106 CD2 TRP B 235 13.819 105.666 70.045 1.00 35.82 0.013 A +ATOM 107 CE2 TRP B 235 14.550 104.794 70.879 1.00 36.56 0.056 A +ATOM 108 CE3 TRP B 235 14.420 106.144 68.871 1.00 37.90 0.001 A +ATOM 109 NE1 TRP B 235 13.748 104.479 71.947 1.00 39.42 -0.352 N +ATOM 110 HE1 TRP B 235 14.004 103.864 72.720 1.00 0.00 0.166 HD +ATOM 111 CZ2 TRP B 235 15.861 104.382 70.576 1.00 40.60 0.017 A +ATOM 112 CZ3 TRP B 235 15.722 105.738 68.569 1.00 42.36 0.000 A +ATOM 113 CH2 TRP B 235 16.427 104.863 69.422 1.00 39.02 0.002 A +ATOM 114 N GLU B 236 9.674 109.575 70.133 1.00 43.19 -0.338 N +ATOM 115 HN GLU B 236 9.610 109.457 71.144 1.00 0.00 0.164 HD +ATOM 116 CA GLU B 236 8.657 110.358 69.437 1.00 43.64 0.160 C +ATOM 117 C GLU B 236 9.267 111.614 68.836 1.00 46.68 0.251 C +ATOM 118 O GLU B 236 10.049 112.300 69.492 1.00 49.88 -0.271 OA +ATOM 119 CB GLU B 236 7.537 110.738 70.407 1.00 45.36 0.043 C +ATOM 120 CG GLU B 236 6.782 109.542 70.973 1.00 49.21 0.100 C +ATOM 121 CD GLU B 236 5.810 108.933 69.975 1.00 49.72 0.185 C +ATOM 122 OE1 GLU B 236 5.305 107.817 70.230 1.00 50.59 -0.647 OA +ATOM 123 OE2 GLU B 236 5.544 109.575 68.939 1.00 47.80 -0.647 OA +ATOM 124 N MET B 237 8.918 111.919 67.588 1.00 48.00 -0.337 N +ATOM 125 HN MET B 237 8.269 111.317 67.081 1.00 0.00 0.164 HD +ATOM 126 CA MET B 237 9.457 113.108 66.942 1.00 53.79 0.160 C +ATOM 127 C MET B 237 8.411 113.878 66.142 1.00 55.92 0.251 C +ATOM 128 O MET B 237 7.283 113.419 65.974 1.00 55.89 -0.271 OA +ATOM 129 CB MET B 237 10.635 112.733 66.039 1.00 55.54 0.043 C +ATOM 130 CG MET B 237 10.258 112.021 64.755 1.00 61.06 0.060 C +ATOM 131 SD MET B 237 11.726 111.575 63.795 1.00 72.12 -0.139 SA +ATOM 132 CE MET B 237 12.077 113.124 62.956 1.00 70.36 0.069 C +ATOM 133 N GLU B 238 8.798 115.056 65.660 1.00 60.34 -0.338 N +ATOM 134 HN GLU B 238 9.750 115.372 65.846 1.00 0.00 0.164 HD +ATOM 135 CA GLU B 238 7.913 115.916 64.874 1.00 65.70 0.160 C +ATOM 136 C GLU B 238 7.861 115.421 63.436 1.00 66.78 0.251 C +ATOM 137 O GLU B 238 8.877 115.434 62.740 1.00 66.60 -0.271 OA +ATOM 138 CB GLU B 238 8.434 117.359 64.871 1.00 68.39 0.043 C +ATOM 139 CG GLU B 238 8.697 117.958 66.243 1.00 74.19 0.100 C +ATOM 140 CD GLU B 238 7.425 118.304 66.991 1.00 78.42 0.185 C +ATOM 141 OE1 GLU B 238 6.625 119.105 66.462 1.00 80.71 -0.647 OA +ATOM 142 OE2 GLU B 238 7.229 117.779 68.109 1.00 80.67 -0.647 OA +ATOM 143 N ARG B 239 6.688 114.986 62.984 1.00 68.99 -0.338 N +ATOM 144 HN ARG B 239 5.873 114.988 63.598 1.00 0.00 0.164 HD +ATOM 145 CA ARG B 239 6.565 114.507 61.613 1.00 70.84 0.159 C +ATOM 146 C ARG B 239 6.873 115.668 60.676 1.00 72.21 0.251 C +ATOM 147 O ARG B 239 7.241 115.470 59.520 1.00 72.86 -0.271 OA +ATOM 148 CB ARG B 239 5.156 113.977 61.334 1.00 71.10 0.034 C +ATOM 149 CG ARG B 239 4.057 115.022 61.391 1.00 71.72 0.027 C +ATOM 150 CD ARG B 239 2.823 114.543 60.634 1.00 75.66 0.116 C +ATOM 151 NE ARG B 239 2.374 113.226 61.082 1.00 75.65 -0.212 N +ATOM 152 HE ARG B 239 2.421 112.454 60.417 1.00 0.00 0.178 HD +ATOM 153 CZ ARG B 239 1.909 112.970 62.300 1.00 77.25 0.666 C +ATOM 154 NH1 ARG B 239 1.829 113.941 63.199 1.00 79.32 -0.235 N +ATOM 155 1HH1 ARG B 239 2.119 114.887 62.950 1.00 0.00 0.174 HD +ATOM 156 2HH1 ARG B 239 1.472 113.744 64.134 1.00 0.00 0.174 HD +ATOM 157 NH2 ARG B 239 1.532 111.742 62.623 1.00 78.28 -0.235 N +ATOM 158 1HH2 ARG B 239 1.594 110.995 61.931 1.00 0.00 0.174 HD +ATOM 159 2HH2 ARG B 239 1.175 111.545 63.558 1.00 0.00 0.174 HD +ATOM 160 N THR B 240 6.727 116.882 61.195 1.00 73.37 -0.336 N +ATOM 161 HN THR B 240 6.423 116.973 62.165 1.00 0.00 0.164 HD +ATOM 162 CA THR B 240 6.988 118.086 60.419 1.00 73.68 0.186 C +ATOM 163 C THR B 240 8.463 118.164 60.036 1.00 72.58 0.253 C +ATOM 164 O THR B 240 8.812 118.732 59.003 1.00 72.44 -0.270 OA +ATOM 165 CB THR B 240 6.619 119.346 61.219 1.00 75.13 0.140 C +ATOM 166 CG2 THR B 240 6.663 120.574 60.325 1.00 76.54 0.034 C +ATOM 167 OG1 THR B 240 5.297 119.202 61.752 1.00 76.75 -0.382 OA +ATOM 168 HG1 THR B 240 5.069 119.981 62.246 1.00 0.00 0.210 HD +ATOM 169 N ASP B 241 9.326 117.593 60.872 1.00 71.66 -0.337 N +ATOM 170 HN ASP B 241 8.976 117.137 61.715 1.00 0.00 0.164 HD +ATOM 171 CA ASP B 241 10.762 117.604 60.610 1.00 72.04 0.170 C +ATOM 172 C ASP B 241 11.141 116.703 59.443 1.00 70.12 0.251 C +ATOM 173 O ASP B 241 12.275 116.741 58.966 1.00 67.35 -0.271 OA +ATOM 174 CB ASP B 241 11.541 117.159 61.852 1.00 75.25 0.129 C +ATOM 175 CG ASP B 241 11.602 118.230 62.922 1.00 78.87 0.188 C +ATOM 176 OD1 ASP B 241 12.329 118.026 63.918 1.00 81.75 -0.647 OA +ATOM 177 OD2 ASP B 241 10.929 119.273 62.773 1.00 80.99 -0.647 OA +ATOM 178 N ILE B 242 10.190 115.897 58.981 1.00 68.88 -0.338 N +ATOM 179 HN ILE B 242 9.262 115.920 59.405 1.00 0.00 0.164 HD +ATOM 180 CA ILE B 242 10.452 114.981 57.879 1.00 67.96 0.159 C +ATOM 181 C ILE B 242 9.691 115.311 56.601 1.00 67.08 0.251 C +ATOM 182 O ILE B 242 8.512 115.652 56.634 1.00 65.82 -0.271 OA +ATOM 183 CB ILE B 242 10.129 113.534 58.287 1.00 66.15 0.029 C +ATOM 184 CG1 ILE B 242 10.996 113.136 59.481 1.00 67.37 0.002 C +ATOM 185 CG2 ILE B 242 10.376 112.593 57.118 1.00 66.66 0.002 C +ATOM 186 CD1 ILE B 242 10.715 111.752 60.013 1.00 71.69 0.000 C +ATOM 187 N THR B 243 10.387 115.205 55.474 1.00 68.50 -0.336 N +ATOM 188 HN THR B 243 11.367 114.926 55.526 1.00 0.00 0.164 HD +ATOM 189 CA THR B 243 9.802 115.472 54.166 1.00 69.57 0.186 C +ATOM 190 C THR B 243 9.489 114.140 53.493 1.00 70.22 0.253 C +ATOM 191 O THR B 243 10.393 113.419 53.074 1.00 69.63 -0.270 OA +ATOM 192 CB THR B 243 10.778 116.259 53.266 1.00 68.44 0.140 C +ATOM 193 CG2 THR B 243 10.112 116.628 51.948 1.00 65.71 0.034 C +ATOM 194 OG1 THR B 243 11.191 117.453 53.940 1.00 69.70 -0.382 OA +ATOM 195 HG1 THR B 243 11.792 117.937 53.386 1.00 0.00 0.210 HD +ATOM 196 N MET B 244 8.205 113.815 53.396 1.00 71.95 -0.337 N +ATOM 197 HN MET B 244 7.499 114.453 53.764 1.00 0.00 0.164 HD +ATOM 198 CA MET B 244 7.784 112.567 52.775 1.00 73.94 0.160 C +ATOM 199 C MET B 244 7.834 112.653 51.258 1.00 76.15 0.251 C +ATOM 200 O MET B 244 7.035 113.356 50.640 1.00 77.32 -0.271 OA +ATOM 201 CB MET B 244 6.367 112.210 53.220 1.00 75.45 0.043 C +ATOM 202 CG MET B 244 6.264 111.845 54.687 1.00 75.93 0.060 C +ATOM 203 SD MET B 244 7.263 110.401 55.070 1.00 78.51 -0.139 SA +ATOM 204 CE MET B 244 6.086 109.088 54.734 1.00 74.62 0.069 C +ATOM 205 N LYS B 245 8.778 111.930 50.664 1.00 77.00 -0.338 N +ATOM 206 HN LYS B 245 9.412 111.372 51.236 1.00 0.00 0.164 HD +ATOM 207 CA LYS B 245 8.928 111.917 49.216 1.00 77.87 0.159 C +ATOM 208 C LYS B 245 8.156 110.772 48.561 1.00 78.75 0.251 C +ATOM 209 O LYS B 245 6.967 110.580 48.820 1.00 78.94 -0.271 OA +ATOM 210 CB LYS B 245 10.408 111.825 48.835 1.00 78.51 0.032 C +ATOM 211 CG LYS B 245 11.189 113.105 49.069 1.00 79.24 0.004 C +ATOM 212 CD LYS B 245 12.524 113.057 48.348 1.00 80.98 0.032 C +ATOM 213 CE LYS B 245 13.213 114.410 48.367 1.00 80.43 0.206 C +ATOM 214 NZ LYS B 245 14.430 114.414 47.509 1.00 79.56 -0.064 N +ATOM 215 HZ1 LYS B 245 14.893 115.323 47.522 1.00 0.00 0.275 HD +ATOM 216 HZ2 LYS B 245 14.216 114.117 46.557 1.00 0.00 0.275 HD +ATOM 217 HZ3 LYS B 245 15.072 113.665 47.768 1.00 0.00 0.275 HD +ATOM 218 N HIS B 246 8.850 110.015 47.716 1.00 78.80 -0.337 N +ATOM 219 HN HIS B 246 9.837 110.226 47.570 1.00 0.00 0.164 HD +ATOM 220 CA HIS B 246 8.260 108.894 46.988 1.00 78.93 0.165 C +ATOM 221 C HIS B 246 8.473 107.565 47.708 1.00 76.59 0.251 C +ATOM 222 O HIS B 246 9.345 107.448 48.566 1.00 75.62 -0.271 OA +ATOM 223 CB HIS B 246 8.886 108.817 45.595 1.00 81.37 0.077 C +ATOM 224 CG HIS B 246 10.374 108.663 45.620 1.00 84.31 0.054 A +ATOM 225 CD2 HIS B 246 11.366 109.529 45.305 1.00 85.67 0.086 A +ATOM 226 ND1 HIS B 246 10.995 107.514 46.063 1.00 86.63 -0.340 N +ATOM 227 HD1 HIS B 246 10.517 106.668 46.374 1.00 0.00 0.167 HD +ATOM 228 CE1 HIS B 246 12.305 107.680 46.021 1.00 86.24 0.151 A +ATOM 229 NE2 HIS B 246 12.557 108.894 45.565 1.00 86.74 -0.336 N +ATOM 230 HE2 HIS B 246 13.485 109.295 45.428 1.00 0.00 0.168 HD +ATOM 231 N LYS B 247 7.678 106.561 47.350 1.00 74.17 -0.338 N +ATOM 232 HN LYS B 247 6.967 106.711 46.634 1.00 0.00 0.164 HD +ATOM 233 CA LYS B 247 7.811 105.249 47.969 1.00 71.63 0.159 C +ATOM 234 C LYS B 247 9.189 104.683 47.676 1.00 71.80 0.251 C +ATOM 235 O LYS B 247 9.811 105.025 46.671 1.00 73.42 -0.271 OA +ATOM 236 CB LYS B 247 6.728 104.295 47.457 1.00 70.17 0.032 C +ATOM 237 CG LYS B 247 5.330 104.714 47.863 1.00 66.87 0.004 C +ATOM 238 CD LYS B 247 4.318 103.608 47.662 1.00 67.49 0.032 C +ATOM 239 CE LYS B 247 2.946 104.065 48.139 1.00 66.64 0.206 C +ATOM 240 NZ LYS B 247 1.922 102.995 48.044 1.00 61.51 -0.064 N +ATOM 241 HZ1 LYS B 247 1.003 103.301 48.364 1.00 0.00 0.275 HD +ATOM 242 HZ2 LYS B 247 2.222 102.156 48.541 1.00 0.00 0.275 HD +ATOM 243 HZ3 LYS B 247 1.874 102.617 47.098 1.00 0.00 0.275 HD +ATOM 244 N LEU B 248 9.665 103.820 48.564 1.00 71.17 -0.338 N +ATOM 245 HN LEU B 248 9.096 103.574 49.374 1.00 0.00 0.164 HD +ATOM 246 CA LEU B 248 10.979 103.216 48.411 1.00 71.98 0.159 C +ATOM 247 C LEU B 248 10.925 101.924 47.598 1.00 72.91 0.251 C +ATOM 248 O LEU B 248 9.996 101.128 47.742 1.00 72.43 -0.271 OA +ATOM 249 CB LEU B 248 11.579 102.936 49.790 1.00 70.53 0.032 C +ATOM 250 CG LEU B 248 12.974 103.501 50.055 1.00 71.32 0.002 C +ATOM 251 CD1 LEU B 248 12.996 104.985 49.753 1.00 68.66 0.000 C +ATOM 252 CD2 LEU B 248 13.352 103.251 51.499 1.00 72.48 0.000 C +ATOM 253 N GLY B 249 11.927 101.732 46.743 1.00 73.39 -0.336 N +ATOM 254 HN GLY B 249 12.658 102.439 46.664 1.00 0.00 0.164 HD +ATOM 255 CA GLY B 249 12.001 100.537 45.920 1.00 75.31 0.189 C +ATOM 256 C GLY B 249 10.809 100.310 45.006 1.00 76.16 0.253 C +ATOM 257 O GLY B 249 10.339 99.180 44.859 1.00 76.55 -0.270 OA +ATOM 258 N GLY B 250 10.317 101.380 44.390 1.00 75.60 -0.336 N +ATOM 259 HN GLY B 250 10.739 102.295 44.549 1.00 0.00 0.164 HD +ATOM 260 CA GLY B 250 9.183 101.255 43.492 1.00 75.30 0.189 C +ATOM 261 C GLY B 250 7.924 100.745 44.169 1.00 76.04 0.253 C +ATOM 262 O GLY B 250 6.958 100.371 43.501 1.00 76.64 -0.270 OA +ATOM 263 N GLY B 251 7.929 100.723 45.497 1.00 74.35 -0.336 N +ATOM 264 HN GLY B 251 8.756 101.033 46.006 1.00 0.00 0.164 HD +ATOM 265 CA GLY B 251 6.763 100.260 46.227 1.00 72.74 0.189 C +ATOM 266 C GLY B 251 6.818 98.793 46.606 1.00 69.43 0.253 C +ATOM 267 O GLY B 251 5.811 98.216 47.014 1.00 68.41 -0.270 OA +ATOM 268 N GLN B 252 7.992 98.185 46.475 1.00 68.49 -0.337 N +ATOM 269 HN GLN B 252 8.793 98.713 46.128 1.00 0.00 0.164 HD +ATOM 270 CA GLN B 252 8.159 96.777 46.817 1.00 68.17 0.160 C +ATOM 271 C GLN B 252 8.086 96.542 48.328 1.00 67.48 0.251 C +ATOM 272 O GLN B 252 7.977 95.399 48.777 1.00 67.41 -0.271 OA +ATOM 273 CB GLN B 252 9.497 96.256 46.282 1.00 69.08 0.042 C +ATOM 274 CG GLN B 252 10.713 96.994 46.824 1.00 70.66 0.090 C +ATOM 275 CD GLN B 252 12.026 96.398 46.350 1.00 69.75 0.227 C +ATOM 276 NE2 GLN B 252 12.788 97.177 45.590 1.00 67.16 -0.369 N +ATOM 277 1HE2 GLN B 252 13.670 96.776 45.271 1.00 0.00 0.159 HD +ATOM 278 2HE2 GLN B 252 12.518 98.126 45.330 1.00 0.00 0.159 HD +ATOM 279 OE1 GLN B 252 12.353 95.251 46.664 1.00 72.19 -0.273 OA +ATOM 280 N TYR B 253 8.141 97.620 49.110 1.00 64.75 -0.337 N +ATOM 281 HN TYR B 253 8.223 98.544 48.685 1.00 0.00 0.164 HD +ATOM 282 CA TYR B 253 8.086 97.501 50.566 1.00 59.57 0.164 C +ATOM 283 C TYR B 253 6.760 97.947 51.168 1.00 58.11 0.251 C +ATOM 284 O TYR B 253 6.618 98.019 52.388 1.00 56.11 -0.271 OA +ATOM 285 CB TYR B 253 9.213 98.311 51.210 1.00 56.06 0.058 C +ATOM 286 CG TYR B 253 10.596 97.916 50.759 1.00 52.60 -0.020 A +ATOM 287 CD1 TYR B 253 11.285 98.674 49.812 1.00 48.80 -0.002 A +ATOM 288 CD2 TYR B 253 11.222 96.785 51.281 1.00 52.19 -0.002 A +ATOM 289 CE1 TYR B 253 12.559 98.318 49.400 1.00 46.76 0.024 A +ATOM 290 CE2 TYR B 253 12.497 96.420 50.875 1.00 48.94 0.024 A +ATOM 291 CZ TYR B 253 13.161 97.189 49.936 1.00 49.30 0.089 A +ATOM 292 OH TYR B 253 14.423 96.826 49.535 1.00 45.56 -0.359 OA +ATOM 293 HH TYR B 253 14.835 96.053 49.902 1.00 0.00 0.217 HD +ATOM 294 N GLY B 254 5.787 98.246 50.318 1.00 58.14 -0.336 N +ATOM 295 HN GLY B 254 5.941 98.164 49.313 1.00 0.00 0.164 HD +ATOM 296 CA GLY B 254 4.503 98.690 50.825 1.00 62.23 0.189 C +ATOM 297 C GLY B 254 4.548 100.164 51.178 1.00 65.20 0.253 C +ATOM 298 O GLY B 254 5.215 100.946 50.496 1.00 64.94 -0.270 OA +ATOM 299 N GLU B 255 3.852 100.547 52.245 1.00 65.59 -0.337 N +ATOM 300 HN GLU B 255 3.331 99.852 52.780 1.00 0.00 0.164 HD +ATOM 301 CA GLU B 255 3.821 101.945 52.664 1.00 66.67 0.160 C +ATOM 302 C GLU B 255 5.117 102.438 53.303 1.00 64.51 0.251 C +ATOM 303 O GLU B 255 5.122 102.902 54.442 1.00 64.74 -0.271 OA +ATOM 304 CB GLU B 255 2.653 102.191 53.625 1.00 70.01 0.043 C +ATOM 305 CG GLU B 255 1.289 102.248 52.950 1.00 76.48 0.100 C +ATOM 306 CD GLU B 255 1.206 103.341 51.897 1.00 79.45 0.185 C +ATOM 307 OE1 GLU B 255 1.896 103.224 50.863 1.00 81.48 -0.647 OA +ATOM 308 OE2 GLU B 255 0.457 104.320 52.106 1.00 79.95 -0.647 OA +ATOM 309 N VAL B 256 6.214 102.326 52.566 1.00 60.20 -0.338 N +ATOM 310 HN VAL B 256 6.151 101.898 51.642 1.00 0.00 0.164 HD +ATOM 311 CA VAL B 256 7.505 102.798 53.042 1.00 60.04 0.159 C +ATOM 312 C VAL B 256 7.974 103.826 52.021 1.00 62.34 0.251 C +ATOM 313 O VAL B 256 7.960 103.561 50.818 1.00 62.39 -0.271 OA +ATOM 314 CB VAL B 256 8.546 101.665 53.131 1.00 56.64 0.029 C +ATOM 315 CG1 VAL B 256 9.869 102.224 53.643 1.00 49.24 0.002 C +ATOM 316 CG2 VAL B 256 8.042 100.563 54.047 1.00 52.11 0.002 C +ATOM 317 N TYR B 257 8.384 104.997 52.496 1.00 62.20 -0.337 N +ATOM 318 HN TYR B 257 8.393 105.156 53.503 1.00 0.00 0.164 HD +ATOM 319 CA TYR B 257 8.821 106.056 51.597 1.00 64.10 0.164 C +ATOM 320 C TYR B 257 10.240 106.521 51.859 1.00 66.09 0.251 C +ATOM 321 O TYR B 257 10.874 106.120 52.834 1.00 67.69 -0.271 OA +ATOM 322 CB TYR B 257 7.881 107.258 51.709 1.00 61.84 0.058 C +ATOM 323 CG TYR B 257 6.425 106.931 51.462 1.00 62.96 -0.020 A +ATOM 324 CD1 TYR B 257 5.710 106.117 52.342 1.00 62.76 -0.002 A +ATOM 325 CD2 TYR B 257 5.760 107.433 50.343 1.00 64.63 -0.002 A +ATOM 326 CE1 TYR B 257 4.370 105.811 52.116 1.00 62.33 0.024 A +ATOM 327 CE2 TYR B 257 4.418 107.134 50.107 1.00 64.12 0.024 A +ATOM 328 CZ TYR B 257 3.731 106.324 50.996 1.00 64.59 0.089 A +ATOM 329 OH TYR B 257 2.410 106.026 50.758 1.00 64.89 -0.359 OA +ATOM 330 HH TYR B 257 1.973 106.377 49.991 1.00 0.00 0.217 HD +ATOM 331 N GLU B 258 10.735 107.367 50.966 1.00 68.82 -0.338 N +ATOM 332 HN GLU B 258 10.164 107.632 50.163 1.00 0.00 0.164 HD +ATOM 333 CA GLU B 258 12.069 107.927 51.100 1.00 72.47 0.160 C +ATOM 334 C GLU B 258 11.837 109.232 51.842 1.00 71.83 0.251 C +ATOM 335 O GLU B 258 11.075 110.081 51.385 1.00 72.87 -0.271 OA +ATOM 336 CB GLU B 258 12.674 108.199 49.722 1.00 75.28 0.043 C +ATOM 337 CG GLU B 258 14.162 108.490 49.739 1.00 80.56 0.100 C +ATOM 338 CD GLU B 258 14.750 108.566 48.343 1.00 83.66 0.185 C +ATOM 339 OE1 GLU B 258 14.362 109.479 47.585 1.00 86.04 -0.647 OA +ATOM 340 OE2 GLU B 258 15.594 107.709 48.004 1.00 85.23 -0.647 OA +ATOM 341 N GLY B 259 12.475 109.388 52.993 1.00 70.86 -0.336 N +ATOM 342 HN GLY B 259 13.102 108.660 53.336 1.00 0.00 0.164 HD +ATOM 343 CA GLY B 259 12.275 110.600 53.759 1.00 70.19 0.189 C +ATOM 344 C GLY B 259 13.484 111.501 53.865 1.00 69.52 0.253 C +ATOM 345 O GLY B 259 14.629 111.050 53.796 1.00 70.21 -0.270 OA +ATOM 346 N VAL B 260 13.215 112.792 54.023 1.00 68.06 -0.337 N +ATOM 347 HN VAL B 260 12.241 113.093 54.043 1.00 0.00 0.164 HD +ATOM 348 CA VAL B 260 14.262 113.790 54.169 1.00 66.55 0.159 C +ATOM 349 C VAL B 260 14.114 114.408 55.549 1.00 65.01 0.251 C +ATOM 350 O VAL B 260 13.159 115.138 55.807 1.00 64.72 -0.271 OA +ATOM 351 CB VAL B 260 14.138 114.908 53.112 1.00 64.38 0.029 C +ATOM 352 CG1 VAL B 260 15.059 116.060 53.466 1.00 66.78 0.002 C +ATOM 353 CG2 VAL B 260 14.492 114.367 51.736 1.00 64.66 0.002 C +ATOM 354 N TRP B 261 15.051 114.099 56.436 1.00 65.03 -0.337 N +ATOM 355 HN TRP B 261 15.808 113.471 56.166 1.00 0.00 0.164 HD +ATOM 356 CA TRP B 261 15.018 114.639 57.786 1.00 67.45 0.164 C +ATOM 357 C TRP B 261 15.669 116.021 57.768 1.00 69.87 0.251 C +ATOM 358 O TRP B 261 16.873 116.155 57.996 1.00 68.59 -0.271 OA +ATOM 359 CB TRP B 261 15.772 113.715 58.745 1.00 66.67 0.060 C +ATOM 360 CG TRP B 261 15.539 114.031 60.192 1.00 69.46 -0.001 A +ATOM 361 CD1 TRP B 261 14.827 115.082 60.700 1.00 69.58 0.068 A +ATOM 362 CD2 TRP B 261 16.013 113.287 61.319 1.00 70.80 0.013 A +ATOM 363 CE2 TRP B 261 15.548 113.946 62.480 1.00 72.44 0.056 A +ATOM 364 CE3 TRP B 261 16.787 112.128 61.463 1.00 72.28 0.001 A +ATOM 365 NE1 TRP B 261 14.827 115.037 62.072 1.00 71.28 -0.352 N +ATOM 366 HE1 TRP B 261 14.365 115.707 62.687 1.00 0.00 0.166 HD +ATOM 367 CZ2 TRP B 261 15.830 113.482 63.771 1.00 72.51 0.017 A +ATOM 368 CZ3 TRP B 261 17.070 111.666 62.749 1.00 73.18 0.000 A +ATOM 369 CH2 TRP B 261 16.591 112.345 63.885 1.00 73.02 0.002 A +ATOM 370 N LYS B 262 14.854 117.035 57.488 1.00 71.77 -0.338 N +ATOM 371 HN LYS B 262 13.870 116.827 57.321 1.00 0.00 0.164 HD +ATOM 372 CA LYS B 262 15.285 118.430 57.405 1.00 73.50 0.159 C +ATOM 373 C LYS B 262 16.511 118.806 58.237 1.00 74.86 0.251 C +ATOM 374 O LYS B 262 17.592 119.042 57.697 1.00 74.96 -0.271 OA +ATOM 375 CB LYS B 262 14.127 119.350 57.794 1.00 73.01 0.032 C +ATOM 376 CG LYS B 262 12.908 119.250 56.896 1.00 72.52 0.004 C +ATOM 377 CD LYS B 262 11.797 120.154 57.403 1.00 71.53 0.032 C +ATOM 378 CE LYS B 262 10.548 120.038 56.551 1.00 72.13 0.206 C +ATOM 379 NZ LYS B 262 9.441 120.875 57.094 1.00 70.39 -0.064 N +ATOM 380 HZ1 LYS B 262 8.601 120.797 56.521 1.00 0.00 0.275 HD +ATOM 381 HZ2 LYS B 262 9.728 121.847 57.207 1.00 0.00 0.275 HD +ATOM 382 HZ3 LYS B 262 9.249 120.653 58.071 1.00 0.00 0.275 HD +ATOM 383 N LYS B 263 16.327 118.865 59.551 1.00 75.39 -0.338 N +ATOM 384 HN LYS B 263 15.407 118.639 59.928 1.00 0.00 0.164 HD +ATOM 385 CA LYS B 263 17.392 119.241 60.475 1.00 76.84 0.159 C +ATOM 386 C LYS B 263 18.788 118.713 60.156 1.00 74.93 0.251 C +ATOM 387 O LYS B 263 19.777 119.397 60.404 1.00 76.29 -0.271 OA +ATOM 388 CB LYS B 263 17.016 118.829 61.900 1.00 77.94 0.032 C +ATOM 389 CG LYS B 263 15.793 119.545 62.452 1.00 80.50 0.004 C +ATOM 390 CD LYS B 263 15.519 119.136 63.893 1.00 84.34 0.032 C +ATOM 391 CE LYS B 263 15.281 117.635 64.009 1.00 84.81 0.206 C +ATOM 392 NZ LYS B 263 15.065 117.209 65.418 1.00 86.07 -0.064 N +ATOM 393 HZ1 LYS B 263 14.906 116.205 65.496 1.00 0.00 0.275 HD +ATOM 394 HZ2 LYS B 263 14.308 117.738 65.852 1.00 0.00 0.275 HD +ATOM 395 HZ3 LYS B 263 15.835 117.508 66.016 1.00 0.00 0.275 HD +ATOM 396 N TYR B 264 18.875 117.505 59.612 1.00 73.15 -0.337 N +ATOM 397 HN TYR B 264 18.025 116.979 59.411 1.00 0.00 0.164 HD +ATOM 398 CA TYR B 264 20.176 116.923 59.299 1.00 70.67 0.164 C +ATOM 399 C TYR B 264 20.352 116.636 57.815 1.00 67.74 0.251 C +ATOM 400 O TYR B 264 21.359 116.053 57.408 1.00 64.60 -0.271 OA +ATOM 401 CB TYR B 264 20.377 115.623 60.086 1.00 72.77 0.058 C +ATOM 402 CG TYR B 264 20.176 115.757 61.577 1.00 75.27 -0.020 A +ATOM 403 CD1 TYR B 264 18.908 115.991 62.113 1.00 75.71 -0.002 A +ATOM 404 CD2 TYR B 264 21.256 115.663 62.455 1.00 77.83 -0.002 A +ATOM 405 CE1 TYR B 264 18.720 116.130 63.486 1.00 76.68 0.024 A +ATOM 406 CE2 TYR B 264 21.079 115.799 63.832 1.00 79.24 0.024 A +ATOM 407 CZ TYR B 264 19.809 116.033 64.339 1.00 78.85 0.089 A +ATOM 408 OH TYR B 264 19.632 116.170 65.696 1.00 78.63 -0.359 OA +ATOM 409 HH TYR B 264 20.378 116.104 66.280 1.00 0.00 0.217 HD +ATOM 410 N SER B 265 19.380 117.049 57.007 1.00 66.29 -0.336 N +ATOM 411 HN SER B 265 18.580 117.547 57.398 1.00 0.00 0.164 HD +ATOM 412 CA SER B 265 19.440 116.802 55.573 1.00 66.22 0.189 C +ATOM 413 C SER B 265 19.798 115.331 55.362 1.00 64.65 0.253 C +ATOM 414 O SER B 265 20.529 114.980 54.434 1.00 63.05 -0.270 OA +ATOM 415 CB SER B 265 20.499 117.697 54.920 1.00 68.73 0.169 C +ATOM 416 OG SER B 265 20.178 119.068 55.081 1.00 70.17 -0.380 OA +ATOM 417 HG SER B 265 20.834 119.623 54.676 1.00 0.00 0.211 HD +ATOM 418 N LEU B 266 19.276 114.479 56.241 1.00 61.41 -0.337 N +ATOM 419 HN LEU B 266 18.673 114.840 56.980 1.00 0.00 0.164 HD +ATOM 420 CA LEU B 266 19.538 113.048 56.181 1.00 57.93 0.159 C +ATOM 421 C LEU B 266 18.407 112.310 55.468 1.00 57.67 0.251 C +ATOM 422 O LEU B 266 17.225 112.548 55.740 1.00 54.50 -0.271 OA +ATOM 423 CB LEU B 266 19.683 112.484 57.598 1.00 56.97 0.032 C +ATOM 424 CG LEU B 266 20.673 111.342 57.852 1.00 59.28 0.002 C +ATOM 425 CD1 LEU B 266 20.200 110.555 59.065 1.00 57.02 0.000 C +ATOM 426 CD2 LEU B 266 20.776 110.424 56.643 1.00 58.58 0.000 C +ATOM 427 N THR B 267 18.774 111.420 54.549 1.00 55.26 -0.336 N +ATOM 428 HN THR B 267 19.765 111.291 54.346 1.00 0.00 0.164 HD +ATOM 429 CA THR B 267 17.787 110.627 53.828 1.00 52.79 0.186 C +ATOM 430 C THR B 267 17.434 109.441 54.717 1.00 50.47 0.253 C +ATOM 431 O THR B 267 18.314 108.711 55.170 1.00 48.81 -0.270 OA +ATOM 432 CB THR B 267 18.344 110.108 52.481 1.00 54.23 0.140 C +ATOM 433 CG2 THR B 267 17.377 109.106 51.842 1.00 53.50 0.034 C +ATOM 434 OG1 THR B 267 18.532 111.213 51.589 1.00 54.66 -0.382 OA +ATOM 435 HG1 THR B 267 19.132 111.834 51.985 1.00 0.00 0.210 HD +ATOM 436 N VAL B 268 16.147 109.257 54.974 1.00 48.41 -0.337 N +ATOM 437 HN VAL B 268 15.459 109.893 54.572 1.00 0.00 0.164 HD +ATOM 438 CA VAL B 268 15.701 108.161 55.822 1.00 45.25 0.159 C +ATOM 439 C VAL B 268 14.587 107.362 55.152 1.00 47.86 0.251 C +ATOM 440 O VAL B 268 14.134 107.702 54.056 1.00 44.86 -0.271 OA +ATOM 441 CB VAL B 268 15.177 108.694 57.175 1.00 44.91 0.029 C +ATOM 442 CG1 VAL B 268 16.252 109.534 57.865 1.00 43.88 0.002 C +ATOM 443 CG2 VAL B 268 13.920 109.517 56.950 1.00 36.94 0.002 C +ATOM 444 N ALA B 269 14.156 106.298 55.825 1.00 47.05 -0.338 N +ATOM 445 HN ALA B 269 14.595 106.071 56.717 1.00 0.00 0.164 HD +ATOM 446 CA ALA B 269 13.082 105.445 55.336 1.00 47.19 0.159 C +ATOM 447 C ALA B 269 11.943 105.556 56.342 1.00 48.39 0.251 C +ATOM 448 O ALA B 269 12.148 105.370 57.543 1.00 49.56 -0.271 OA +ATOM 449 CB ALA B 269 13.565 104.002 55.233 1.00 48.87 0.034 C +ATOM 450 N VAL B 270 10.745 105.858 55.857 1.00 48.12 -0.338 N +ATOM 451 HN VAL B 270 10.625 105.976 54.851 1.00 0.00 0.164 HD +ATOM 452 CA VAL B 270 9.597 106.023 56.742 1.00 49.64 0.159 C +ATOM 453 C VAL B 270 8.441 105.069 56.446 1.00 49.99 0.251 C +ATOM 454 O VAL B 270 7.790 105.174 55.411 1.00 49.78 -0.271 OA +ATOM 455 CB VAL B 270 9.047 107.467 56.667 1.00 49.44 0.029 C +ATOM 456 CG1 VAL B 270 8.094 107.719 57.826 1.00 49.97 0.002 C +ATOM 457 CG2 VAL B 270 10.195 108.468 56.670 1.00 50.87 0.002 C +ATOM 458 N LYS B 271 8.190 104.143 57.366 1.00 52.05 -0.338 N +ATOM 459 HN LYS B 271 8.780 104.097 58.197 1.00 0.00 0.164 HD +ATOM 460 CA LYS B 271 7.094 103.191 57.221 1.00 55.06 0.159 C +ATOM 461 C LYS B 271 5.859 103.854 57.822 1.00 57.88 0.251 C +ATOM 462 O LYS B 271 5.951 104.530 58.848 1.00 57.00 -0.271 OA +ATOM 463 CB LYS B 271 7.409 101.902 57.979 1.00 53.63 0.032 C +ATOM 464 CG LYS B 271 6.390 100.785 57.810 1.00 55.33 0.004 C +ATOM 465 CD LYS B 271 6.731 99.610 58.727 1.00 57.31 0.032 C +ATOM 466 CE LYS B 271 5.854 98.387 58.471 1.00 56.69 0.206 C +ATOM 467 NZ LYS B 271 6.286 97.620 57.269 1.00 56.31 -0.064 N +ATOM 468 HZ1 LYS B 271 5.700 96.803 57.098 1.00 0.00 0.275 HD +ATOM 469 HZ2 LYS B 271 7.270 97.360 57.333 1.00 0.00 0.275 HD +ATOM 470 HZ3 LYS B 271 6.329 98.220 56.446 1.00 0.00 0.275 HD +ATOM 471 N THR B 272 4.706 103.665 57.192 1.00 60.22 -0.336 N +ATOM 472 HN THR B 272 4.678 103.091 56.349 1.00 0.00 0.164 HD +ATOM 473 CA THR B 272 3.481 104.270 57.693 1.00 61.91 0.186 C +ATOM 474 C THR B 272 2.277 103.361 57.494 1.00 65.00 0.253 C +ATOM 475 O THR B 272 2.417 102.218 57.066 1.00 66.02 -0.270 OA +ATOM 476 CB THR B 272 3.222 105.626 57.000 1.00 62.24 0.140 C +ATOM 477 CG2 THR B 272 3.082 105.439 55.499 1.00 60.70 0.034 C +ATOM 478 OG1 THR B 272 2.027 106.217 57.527 1.00 62.42 -0.382 OA +ATOM 479 HG1 THR B 272 1.868 107.051 57.101 1.00 0.00 0.210 HD +ATOM 480 N LEU B 273 1.096 103.876 57.824 1.00 69.90 -0.337 N +ATOM 481 HN LEU B 273 1.060 104.828 58.189 1.00 0.00 0.164 HD +ATOM 482 CA LEU B 273 -0.150 103.131 57.683 1.00 74.23 0.159 C +ATOM 483 C LEU B 273 -1.199 103.974 56.968 1.00 78.99 0.251 C +ATOM 484 O LEU B 273 -1.450 105.117 57.351 1.00 78.83 -0.271 OA +ATOM 485 CB LEU B 273 -0.699 102.735 59.055 1.00 72.19 0.032 C +ATOM 486 CG LEU B 273 0.086 101.748 59.920 1.00 73.70 0.002 C +ATOM 487 CD1 LEU B 273 -0.610 101.601 61.267 1.00 70.32 0.000 C +ATOM 488 CD2 LEU B 273 0.185 100.404 59.215 1.00 70.64 0.000 C +ATOM 489 N LYS B 274 -1.810 103.411 55.929 1.00 85.50 -0.338 N +ATOM 490 HN LYS B 274 -1.544 102.469 55.641 1.00 0.00 0.164 HD +ATOM 491 CA LYS B 274 -2.855 104.118 55.194 1.00 91.76 0.159 C +ATOM 492 C LYS B 274 -4.045 104.161 56.149 1.00 94.47 0.251 C +ATOM 493 O LYS B 274 -3.912 103.771 57.308 1.00 95.87 -0.271 OA +ATOM 494 CB LYS B 274 -3.224 103.349 53.922 1.00 92.85 0.032 C +ATOM 495 CG LYS B 274 -4.164 104.098 52.990 1.00 96.08 0.004 C +ATOM 496 CD LYS B 274 -4.453 103.299 51.732 1.00 97.23 0.032 C +ATOM 497 CE LYS B 274 -5.304 104.098 50.759 1.00 98.90 0.206 C +ATOM 498 NZ LYS B 274 -5.600 103.325 49.521 1.00100.97 -0.064 N +ATOM 499 HZ1 LYS B 274 -6.171 103.861 48.868 1.00 0.00 0.275 HD +ATOM 500 HZ2 LYS B 274 -6.029 102.426 49.738 1.00 0.00 0.275 HD +ATOM 501 HZ3 LYS B 274 -4.744 102.991 49.078 1.00 0.00 0.275 HD +ATOM 502 N GLU B 275 -5.203 104.630 55.697 1.00 97.92 -0.338 N +ATOM 503 HN GLU B 275 -5.293 104.963 54.737 1.00 0.00 0.164 HD +ATOM 504 CA GLU B 275 -6.340 104.657 56.605 1.00100.28 0.160 C +ATOM 505 C GLU B 275 -7.215 103.424 56.425 1.00101.72 0.251 C +ATOM 506 O GLU B 275 -8.150 103.193 57.194 1.00101.97 -0.271 OA +ATOM 507 CB GLU B 275 -7.164 105.932 56.438 1.00100.43 0.043 C +ATOM 508 CG GLU B 275 -7.997 106.215 57.676 1.00100.24 0.100 C +ATOM 509 CD GLU B 275 -7.191 106.034 58.956 1.00100.38 0.185 C +ATOM 510 OE1 GLU B 275 -6.336 106.895 59.259 1.00 98.84 -0.647 OA +ATOM 511 OE2 GLU B 275 -7.402 105.016 59.653 1.00100.82 -0.647 OA +ATOM 512 N ASP B 276 -6.903 102.633 55.403 1.00103.05 -0.337 N +ATOM 513 HN ASP B 276 -6.144 102.903 54.778 1.00 0.00 0.164 HD +ATOM 514 CA ASP B 276 -7.621 101.390 55.156 1.00104.98 0.170 C +ATOM 515 C ASP B 276 -6.941 100.405 56.099 1.00105.15 0.252 C +ATOM 516 O ASP B 276 -7.049 99.186 55.950 1.00105.29 -0.271 OA +ATOM 517 CB ASP B 276 -7.434 100.930 53.706 1.00106.53 0.129 C +ATOM 518 CG ASP B 276 -8.137 101.831 52.710 1.00107.89 0.188 C +ATOM 519 OD1 ASP B 276 -9.375 101.965 52.800 1.00109.35 -0.647 OA +ATOM 520 OD2 ASP B 276 -7.454 102.403 51.834 1.00108.37 -0.647 OA +ATOM 521 N THR B 277 -6.235 100.970 57.075 1.00104.63 -0.336 N +ATOM 522 HN THR B 277 -6.218 101.988 57.135 1.00 0.00 0.164 HD +ATOM 523 CA THR B 277 -5.487 100.205 58.060 1.00103.55 0.186 C +ATOM 524 C THR B 277 -6.312 99.675 59.221 1.00103.34 0.253 C +ATOM 525 O THR B 277 -7.326 100.252 59.612 1.00102.49 -0.270 OA +ATOM 526 CB THR B 277 -4.347 101.043 58.659 1.00103.05 0.140 C +ATOM 527 CG2 THR B 277 -4.915 102.218 59.446 1.00102.80 0.034 C +ATOM 528 OG1 THR B 277 -3.566 100.226 59.541 1.00101.90 -0.382 OA +ATOM 529 HG1 THR B 277 -2.861 100.744 59.911 1.00 0.00 0.210 HD +ATOM 530 N MET B 278 -5.835 98.566 59.770 1.00103.95 -0.337 N +ATOM 531 HN MET B 278 -4.986 98.162 59.374 1.00 0.00 0.164 HD +ATOM 532 CA MET B 278 -6.448 97.891 60.902 1.00104.51 0.160 C +ATOM 533 C MET B 278 -5.283 97.213 61.612 1.00103.42 0.251 C +ATOM 534 O MET B 278 -5.470 96.346 62.466 1.00103.29 -0.271 OA +ATOM 535 CB MET B 278 -7.447 96.833 60.425 1.00107.28 0.043 C +ATOM 536 CG MET B 278 -7.691 96.811 58.918 1.00110.25 0.060 C +ATOM 537 SD MET B 278 -6.211 96.432 57.943 1.00113.17 -0.139 SA +ATOM 538 CE MET B 278 -6.224 94.642 57.973 1.00111.45 0.069 C +ATOM 539 N GLU B 279 -4.076 97.626 61.234 1.00101.14 -0.338 N +ATOM 540 HN GLU B 279 -4.013 98.357 60.526 1.00 0.00 0.164 HD +ATOM 541 CA GLU B 279 -2.840 97.083 61.784 1.00 99.12 0.160 C +ATOM 542 C GLU B 279 -2.216 97.998 62.830 1.00 96.18 0.251 C +ATOM 543 O GLU B 279 -1.084 97.776 63.254 1.00 96.31 -0.271 OA +ATOM 544 CB GLU B 279 -1.826 96.863 60.658 1.00100.60 0.043 C +ATOM 545 CG GLU B 279 -2.276 95.905 59.573 1.00103.02 0.100 C +ATOM 546 CD GLU B 279 -2.431 94.487 60.079 1.00105.50 0.185 C +ATOM 547 OE1 GLU B 279 -3.335 94.242 60.906 1.00106.49 -0.647 OA +ATOM 548 OE2 GLU B 279 -1.641 93.616 59.652 1.00107.15 -0.647 OA +ATOM 549 N VAL B 280 -2.951 99.023 63.246 1.00 92.52 -0.338 N +ATOM 550 HN VAL B 280 -3.891 99.150 62.870 1.00 0.00 0.164 HD +ATOM 551 CA VAL B 280 -2.440 99.969 64.229 1.00 89.59 0.159 C +ATOM 552 C VAL B 280 -1.720 99.314 65.406 1.00 87.63 0.251 C +ATOM 553 O VAL B 280 -0.676 99.797 65.838 1.00 86.63 -0.271 OA +ATOM 554 CB VAL B 280 -3.566 100.866 64.773 1.00 89.38 0.029 C +ATOM 555 CG1 VAL B 280 -4.129 101.724 63.653 1.00 88.74 0.002 C +ATOM 556 CG2 VAL B 280 -4.659 100.012 65.389 1.00 92.53 0.002 C +ATOM 557 N GLU B 281 -2.266 98.214 65.916 1.00 84.68 -0.338 N +ATOM 558 HN GLU B 281 -3.127 97.847 65.511 1.00 0.00 0.164 HD +ATOM 559 CA GLU B 281 -1.652 97.524 67.047 1.00 82.76 0.160 C +ATOM 560 C GLU B 281 -0.429 96.700 66.659 1.00 79.03 0.251 C +ATOM 561 O GLU B 281 0.555 96.645 67.397 1.00 77.33 -0.271 OA +ATOM 562 CB GLU B 281 -2.680 96.633 67.748 1.00 86.09 0.043 C +ATOM 563 CG GLU B 281 -3.687 97.417 68.579 1.00 91.22 0.100 C +ATOM 564 CD GLU B 281 -3.029 98.215 69.696 1.00 93.29 0.185 C +ATOM 565 OE1 GLU B 281 -3.727 99.024 70.345 1.00 93.64 -0.647 OA +ATOM 566 OE2 GLU B 281 -1.814 98.032 69.931 1.00 94.45 -0.647 OA +ATOM 567 N GLU B 282 -0.496 96.054 65.502 1.00 75.09 -0.338 N +ATOM 568 HN GLU B 282 -1.343 96.122 64.938 1.00 0.00 0.164 HD +ATOM 569 CA GLU B 282 0.618 95.251 65.025 1.00 71.97 0.160 C +ATOM 570 C GLU B 282 1.754 96.212 64.673 1.00 67.60 0.251 C +ATOM 571 O GLU B 282 2.931 95.868 64.765 1.00 64.84 -0.271 OA +ATOM 572 CB GLU B 282 0.186 94.458 63.791 1.00 76.83 0.043 C +ATOM 573 CG GLU B 282 1.125 93.337 63.389 1.00 83.01 0.100 C +ATOM 574 CD GLU B 282 0.578 92.526 62.225 1.00 88.27 0.185 C +ATOM 575 OE1 GLU B 282 -0.541 91.981 62.353 1.00 89.82 -0.647 OA +ATOM 576 OE2 GLU B 282 1.266 92.433 61.186 1.00 90.10 -0.647 OA +ATOM 577 N PHE B 283 1.376 97.424 64.276 1.00 63.09 -0.337 N +ATOM 578 HN PHE B 283 0.378 97.630 64.226 1.00 0.00 0.164 HD +ATOM 579 CA PHE B 283 2.322 98.473 63.909 1.00 59.37 0.164 C +ATOM 580 C PHE B 283 2.997 98.968 65.185 1.00 57.26 0.251 C +ATOM 581 O PHE B 283 4.224 99.035 65.268 1.00 54.76 -0.271 OA +ATOM 582 CB PHE B 283 1.581 99.638 63.240 1.00 59.27 0.058 C +ATOM 583 CG PHE B 283 2.486 100.634 62.564 1.00 59.97 -0.020 A +ATOM 584 CD1 PHE B 283 3.035 100.360 61.316 1.00 59.46 -0.004 A +ATOM 585 CD2 PHE B 283 2.785 101.849 63.173 1.00 60.33 -0.004 A +ATOM 586 CE1 PHE B 283 3.867 101.283 60.683 1.00 61.21 -0.000 A +ATOM 587 CE2 PHE B 283 3.616 102.775 62.549 1.00 58.23 -0.000 A +ATOM 588 CZ PHE B 283 4.157 102.492 61.300 1.00 59.44 -0.000 A +ATOM 589 N LEU B 284 2.178 99.301 66.179 1.00 52.71 -0.338 N +ATOM 590 HN LEU B 284 1.172 99.209 66.041 1.00 0.00 0.164 HD +ATOM 591 CA LEU B 284 2.672 99.792 67.457 1.00 53.35 0.159 C +ATOM 592 C LEU B 284 3.517 98.758 68.195 1.00 53.18 0.251 C +ATOM 593 O LEU B 284 4.391 99.110 68.991 1.00 51.48 -0.271 OA +ATOM 594 CB LEU B 284 1.499 100.250 68.324 1.00 52.15 0.032 C +ATOM 595 CG LEU B 284 0.780 101.470 67.739 1.00 54.72 0.002 C +ATOM 596 CD1 LEU B 284 -0.474 101.775 68.541 1.00 56.37 0.000 C +ATOM 597 CD2 LEU B 284 1.728 102.662 67.736 1.00 53.48 0.000 C +ATOM 598 N LYS B 285 3.261 97.482 67.931 1.00 51.93 -0.338 N +ATOM 599 HN LYS B 285 2.514 97.241 67.279 1.00 0.00 0.164 HD +ATOM 600 CA LYS B 285 4.036 96.424 68.563 1.00 53.06 0.159 C +ATOM 601 C LYS B 285 5.415 96.413 67.912 1.00 51.25 0.251 C +ATOM 602 O LYS B 285 6.429 96.187 68.571 1.00 48.02 -0.271 OA +ATOM 603 CB LYS B 285 3.359 95.066 68.366 1.00 57.20 0.032 C +ATOM 604 CG LYS B 285 4.169 93.888 68.898 1.00 63.69 0.004 C +ATOM 605 CD LYS B 285 4.454 94.027 70.390 1.00 69.42 0.032 C +ATOM 606 CE LYS B 285 5.271 92.849 70.914 1.00 71.42 0.206 C +ATOM 607 NZ LYS B 285 5.522 92.947 72.383 1.00 72.02 -0.064 N +ATOM 608 HZ1 LYS B 285 6.068 92.160 72.733 1.00 0.00 0.275 HD +ATOM 609 HZ2 LYS B 285 4.649 93.050 72.901 1.00 0.00 0.275 HD +ATOM 610 HZ3 LYS B 285 5.960 93.836 72.624 1.00 0.00 0.275 HD +ATOM 611 N GLU B 286 5.441 96.664 66.608 1.00 50.09 -0.338 N +ATOM 612 HN GLU B 286 4.565 96.839 66.116 1.00 0.00 0.164 HD +ATOM 613 CA GLU B 286 6.692 96.695 65.868 1.00 47.74 0.160 C +ATOM 614 C GLU B 286 7.551 97.848 66.389 1.00 45.82 0.251 C +ATOM 615 O GLU B 286 8.749 97.689 66.615 1.00 44.03 -0.271 OA +ATOM 616 CB GLU B 286 6.427 96.897 64.381 1.00 45.24 0.043 C +ATOM 617 CG GLU B 286 7.589 96.475 63.514 1.00 47.98 0.100 C +ATOM 618 CD GLU B 286 7.484 96.993 62.102 1.00 47.43 0.185 C +ATOM 619 OE1 GLU B 286 6.349 97.191 61.615 1.00 51.18 -0.647 OA +ATOM 620 OE2 GLU B 286 8.542 97.190 61.473 1.00 47.40 -0.647 OA +ATOM 621 N ALA B 287 6.928 99.008 66.571 1.00 43.23 -0.338 N +ATOM 622 HN ALA B 287 5.933 99.076 66.355 1.00 0.00 0.164 HD +ATOM 623 CA ALA B 287 7.629 100.186 67.071 1.00 45.43 0.159 C +ATOM 624 C ALA B 287 8.267 99.875 68.415 1.00 45.06 0.251 C +ATOM 625 O ALA B 287 9.474 100.036 68.593 1.00 44.64 -0.271 OA +ATOM 626 CB ALA B 287 6.667 101.343 67.215 1.00 41.17 0.034 C +ATOM 627 N ALA B 288 7.444 99.422 69.356 1.00 45.79 -0.338 N +ATOM 628 HN ALA B 288 6.455 99.311 69.134 1.00 0.00 0.164 HD +ATOM 629 CA ALA B 288 7.909 99.079 70.696 1.00 44.49 0.159 C +ATOM 630 C ALA B 288 9.071 98.091 70.671 1.00 42.85 0.251 C +ATOM 631 O ALA B 288 10.043 98.256 71.404 1.00 43.86 -0.271 OA +ATOM 632 CB ALA B 288 6.757 98.505 71.517 1.00 43.92 0.034 C +ATOM 633 N VAL B 289 8.966 97.064 69.834 1.00 43.67 -0.338 N +ATOM 634 HN VAL B 289 8.133 96.981 69.251 1.00 0.00 0.164 HD +ATOM 635 CA VAL B 289 10.015 96.050 69.728 1.00 44.66 0.159 C +ATOM 636 C VAL B 289 11.327 96.640 69.214 1.00 42.18 0.251 C +ATOM 637 O VAL B 289 12.409 96.283 69.683 1.00 41.46 -0.271 OA +ATOM 638 CB VAL B 289 9.596 94.904 68.774 1.00 48.14 0.029 C +ATOM 639 CG1 VAL B 289 10.755 93.931 68.582 1.00 49.47 0.002 C +ATOM 640 CG2 VAL B 289 8.385 94.176 69.340 1.00 53.04 0.002 C +ATOM 641 N MET B 290 11.229 97.538 68.242 1.00 38.63 -0.337 N +ATOM 642 HN MET B 290 10.308 97.799 67.889 1.00 0.00 0.164 HD +ATOM 643 CA MET B 290 12.418 98.157 67.671 1.00 40.62 0.160 C +ATOM 644 C MET B 290 13.174 99.021 68.680 1.00 40.97 0.251 C +ATOM 645 O MET B 290 14.370 99.269 68.521 1.00 41.99 -0.271 OA +ATOM 646 CB MET B 290 12.032 98.977 66.442 1.00 37.94 0.043 C +ATOM 647 CG MET B 290 11.593 98.114 65.263 1.00 35.51 0.060 C +ATOM 648 SD MET B 290 11.144 99.096 63.826 1.00 40.33 -0.139 SA +ATOM 649 CE MET B 290 12.791 99.594 63.254 1.00 35.00 0.069 C +ATOM 650 N LYS B 291 12.483 99.458 69.729 1.00 41.50 -0.338 N +ATOM 651 HN LYS B 291 11.496 99.216 69.815 1.00 0.00 0.164 HD +ATOM 652 CA LYS B 291 13.112 100.278 70.759 1.00 44.03 0.159 C +ATOM 653 C LYS B 291 13.929 99.425 71.730 1.00 44.63 0.251 C +ATOM 654 O LYS B 291 14.753 99.945 72.481 1.00 42.52 -0.271 OA +ATOM 655 CB LYS B 291 12.046 101.054 71.532 1.00 39.81 0.032 C +ATOM 656 CG LYS B 291 11.191 101.957 70.661 1.00 43.52 0.004 C +ATOM 657 CD LYS B 291 10.009 102.523 71.438 1.00 42.55 0.032 C +ATOM 658 CE LYS B 291 9.118 103.364 70.541 1.00 44.59 0.206 C +ATOM 659 NZ LYS B 291 7.934 103.906 71.265 1.00 46.83 -0.064 N +ATOM 660 HZ1 LYS B 291 7.335 104.471 70.662 1.00 0.00 0.275 HD +ATOM 661 HZ2 LYS B 291 8.217 104.427 72.095 1.00 0.00 0.275 HD +ATOM 662 HZ3 LYS B 291 7.404 103.159 71.714 1.00 0.00 0.275 HD +ATOM 663 N GLU B 292 13.709 98.113 71.700 1.00 47.71 -0.338 N +ATOM 664 HN GLU B 292 13.034 97.738 71.033 1.00 0.00 0.164 HD +ATOM 665 CA GLU B 292 14.409 97.194 72.597 1.00 48.45 0.160 C +ATOM 666 C GLU B 292 15.693 96.641 72.000 1.00 50.15 0.251 C +ATOM 667 O GLU B 292 16.502 96.043 72.711 1.00 50.66 -0.271 OA +ATOM 668 CB GLU B 292 13.513 96.003 72.958 1.00 50.97 0.043 C +ATOM 669 CG GLU B 292 12.121 96.353 73.442 1.00 57.08 0.100 C +ATOM 670 CD GLU B 292 12.136 97.269 74.644 1.00 64.10 0.185 C +ATOM 671 OE1 GLU B 292 12.947 97.032 75.566 1.00 68.18 -0.647 OA +ATOM 672 OE2 GLU B 292 11.329 98.222 74.672 1.00 65.90 -0.647 OA +ATOM 673 N ILE B 293 15.886 96.829 70.699 1.00 47.45 -0.338 N +ATOM 674 HN ILE B 293 15.201 97.349 70.150 1.00 0.00 0.164 HD +ATOM 675 CA ILE B 293 17.074 96.292 70.062 1.00 48.13 0.159 C +ATOM 676 C ILE B 293 18.024 97.326 69.471 1.00 47.34 0.251 C +ATOM 677 O ILE B 293 17.611 98.315 68.863 1.00 44.83 -0.271 OA +ATOM 678 CB ILE B 293 16.688 95.251 68.978 1.00 48.96 0.029 C +ATOM 679 CG1 ILE B 293 15.659 95.843 68.018 1.00 47.32 0.002 C +ATOM 680 CG2 ILE B 293 16.112 94.009 69.642 1.00 52.23 0.002 C +ATOM 681 CD1 ILE B 293 15.171 94.864 66.966 1.00 50.69 0.000 C +ATOM 682 N LYS B 294 19.312 97.082 69.675 1.00 45.70 -0.338 N +ATOM 683 HN LYS B 294 19.582 96.248 70.197 1.00 0.00 0.164 HD +ATOM 684 CA LYS B 294 20.347 97.968 69.176 1.00 48.55 0.159 C +ATOM 685 C LYS B 294 21.572 97.125 68.874 1.00 45.37 0.251 C +ATOM 686 O LYS B 294 22.109 96.456 69.752 1.00 45.93 -0.271 OA +ATOM 687 CB LYS B 294 20.693 99.034 70.219 1.00 48.34 0.032 C +ATOM 688 CG LYS B 294 21.737 100.024 69.741 1.00 57.58 0.004 C +ATOM 689 CD LYS B 294 22.142 100.990 70.844 1.00 62.78 0.032 C +ATOM 690 CE LYS B 294 23.178 101.980 70.340 1.00 64.80 0.206 C +ATOM 691 NZ LYS B 294 23.707 102.824 71.445 1.00 70.90 -0.064 N +ATOM 692 HZ1 LYS B 294 24.403 103.489 71.107 1.00 0.00 0.275 HD +ATOM 693 HZ2 LYS B 294 24.075 102.254 72.207 1.00 0.00 0.275 HD +ATOM 694 HZ3 LYS B 294 22.955 103.294 71.949 1.00 0.00 0.275 HD +ATOM 695 N HIS B 295 22.003 97.155 67.622 1.00 44.78 -0.337 N +ATOM 696 HN HIS B 295 21.510 97.731 66.939 1.00 0.00 0.164 HD +ATOM 697 CA HIS B 295 23.162 96.386 67.198 1.00 41.63 0.166 C +ATOM 698 C HIS B 295 23.667 97.022 65.915 1.00 39.81 0.254 C +ATOM 699 O HIS B 295 22.876 97.515 65.107 1.00 37.71 -0.270 OA +ATOM 700 CB HIS B 295 22.761 94.929 66.946 1.00 41.78 0.077 C +ATOM 701 CG HIS B 295 23.920 94.002 66.736 1.00 39.91 0.054 A +ATOM 702 CD2 HIS B 295 24.527 93.133 67.578 1.00 38.92 0.086 A +ATOM 703 ND1 HIS B 295 24.580 93.891 65.531 1.00 39.97 -0.340 N +ATOM 704 HD1 HIS B 295 24.363 94.423 64.688 1.00 0.00 0.167 HD +ATOM 705 CE1 HIS B 295 25.538 92.988 65.638 1.00 39.92 0.151 A +ATOM 706 NE2 HIS B 295 25.528 92.513 66.869 1.00 39.29 -0.336 N +ATOM 707 HE2 HIS B 295 26.160 91.801 67.235 1.00 0.00 0.168 HD +ATOM 708 N PRO B 296 24.993 97.035 65.712 1.00 38.89 -0.312 N +ATOM 709 CA PRO B 296 25.538 97.634 64.492 1.00 40.88 0.163 C +ATOM 710 C PRO B 296 25.086 96.924 63.218 1.00 39.02 0.251 C +ATOM 711 O PRO B 296 25.135 97.496 62.132 1.00 41.49 -0.271 OA +ATOM 712 CB PRO B 296 27.051 97.555 64.707 1.00 38.73 0.034 C +ATOM 713 CG PRO B 296 27.210 96.383 65.620 1.00 45.47 0.027 C +ATOM 714 CD PRO B 296 26.073 96.561 66.592 1.00 43.33 0.105 C +ATOM 715 N ASN B 297 24.631 95.684 63.351 1.00 36.42 -0.337 N +ATOM 716 HN ASN B 297 24.594 95.251 64.274 1.00 0.00 0.164 HD +ATOM 717 CA ASN B 297 24.186 94.942 62.183 1.00 38.46 0.169 C +ATOM 718 C ASN B 297 22.679 94.703 62.105 1.00 37.08 0.251 C +ATOM 719 O ASN B 297 22.228 93.770 61.451 1.00 37.87 -0.271 OA +ATOM 720 CB ASN B 297 24.959 93.625 62.078 1.00 35.04 0.119 C +ATOM 721 CG ASN B 297 26.440 93.849 61.790 1.00 37.96 0.230 C +ATOM 722 ND2 ASN B 297 26.739 94.379 60.608 1.00 34.80 -0.369 N +ATOM 723 1HD2 ASN B 297 26.027 94.616 59.917 1.00 0.00 0.159 HD +ATOM 724 2HD2 ASN B 297 27.729 94.529 60.415 1.00 0.00 0.159 HD +ATOM 725 OD1 ASN B 297 27.298 93.563 62.623 1.00 41.01 -0.273 OA +ATOM 726 N LEU B 298 21.915 95.563 62.778 1.00 37.90 -0.338 N +ATOM 727 HN LEU B 298 22.375 96.285 63.332 1.00 0.00 0.164 HD +ATOM 728 CA LEU B 298 20.448 95.528 62.765 1.00 35.52 0.159 C +ATOM 729 C LEU B 298 20.005 96.925 62.335 1.00 37.04 0.251 C +ATOM 730 O LEU B 298 20.478 97.921 62.885 1.00 40.44 -0.271 OA +ATOM 731 CB LEU B 298 19.885 95.220 64.160 1.00 38.34 0.032 C +ATOM 732 CG LEU B 298 19.834 93.756 64.618 1.00 40.46 0.002 C +ATOM 733 CD1 LEU B 298 19.328 93.686 66.048 1.00 46.77 0.000 C +ATOM 734 CD2 LEU B 298 18.912 92.957 63.699 1.00 43.88 0.000 C +ATOM 735 N VAL B 299 19.112 97.013 61.353 1.00 40.02 -0.338 N +ATOM 736 HN VAL B 299 18.741 96.164 60.927 1.00 0.00 0.164 HD +ATOM 737 CA VAL B 299 18.660 98.322 60.881 1.00 40.09 0.159 C +ATOM 738 C VAL B 299 18.421 99.236 62.088 1.00 41.93 0.251 C +ATOM 739 O VAL B 299 17.810 98.828 63.074 1.00 39.37 -0.271 OA +ATOM 740 CB VAL B 299 17.378 98.202 60.013 1.00 43.03 0.029 C +ATOM 741 CG1 VAL B 299 16.186 97.773 60.866 1.00 33.94 0.002 C +ATOM 742 CG2 VAL B 299 17.115 99.518 59.293 1.00 40.22 0.002 C +ATOM 743 N GLN B 300 18.929 100.463 62.006 1.00 41.69 -0.338 N +ATOM 744 HN GLN B 300 19.409 100.742 61.150 1.00 0.00 0.164 HD +ATOM 745 CA GLN B 300 18.822 101.422 63.101 1.00 42.82 0.160 C +ATOM 746 C GLN B 300 17.542 102.256 63.160 1.00 39.69 0.251 C +ATOM 747 O GLN B 300 17.201 102.974 62.220 1.00 39.77 -0.271 OA +ATOM 748 CB GLN B 300 20.039 102.358 63.073 1.00 48.28 0.042 C +ATOM 749 CG GLN B 300 20.006 103.482 64.105 1.00 54.40 0.090 C +ATOM 750 CD GLN B 300 21.277 104.319 64.106 1.00 58.81 0.227 C +ATOM 751 NE2 GLN B 300 21.805 104.591 65.295 1.00 60.51 -0.369 N +ATOM 752 1HE2 GLN B 300 22.657 105.152 65.296 1.00 0.00 0.159 HD +ATOM 753 2HE2 GLN B 300 21.395 104.256 66.167 1.00 0.00 0.159 HD +ATOM 754 OE1 GLN B 300 21.773 104.724 63.051 1.00 60.74 -0.273 OA +ATOM 755 N LEU B 301 16.834 102.153 64.277 1.00 39.92 -0.338 N +ATOM 756 HN LEU B 301 17.150 101.520 65.012 1.00 0.00 0.164 HD +ATOM 757 CA LEU B 301 15.614 102.925 64.477 1.00 38.27 0.159 C +ATOM 758 C LEU B 301 16.035 104.359 64.781 1.00 39.61 0.251 C +ATOM 759 O LEU B 301 16.908 104.585 65.617 1.00 37.55 -0.271 OA +ATOM 760 CB LEU B 301 14.817 102.362 65.657 1.00 42.60 0.032 C +ATOM 761 CG LEU B 301 13.647 103.204 66.176 1.00 44.54 0.002 C +ATOM 762 CD1 LEU B 301 12.585 103.330 65.091 1.00 47.25 0.000 C +ATOM 763 CD2 LEU B 301 13.061 102.559 67.430 1.00 42.06 0.000 C +ATOM 764 N LEU B 302 15.422 105.326 64.105 1.00 41.87 -0.338 N +ATOM 765 HN LEU B 302 14.703 105.087 63.422 1.00 0.00 0.164 HD +ATOM 766 CA LEU B 302 15.766 106.723 64.329 1.00 42.94 0.159 C +ATOM 767 C LEU B 302 14.674 107.459 65.090 1.00 46.38 0.251 C +ATOM 768 O LEU B 302 14.932 108.479 65.731 1.00 47.22 -0.271 OA +ATOM 769 CB LEU B 302 16.042 107.423 62.996 1.00 40.70 0.032 C +ATOM 770 CG LEU B 302 17.296 106.916 62.279 1.00 40.15 0.002 C +ATOM 771 CD1 LEU B 302 17.503 107.670 60.972 1.00 37.70 0.000 C +ATOM 772 CD2 LEU B 302 18.494 107.100 63.194 1.00 39.61 0.000 C +ATOM 773 N GLY B 303 13.455 106.938 65.024 1.00 46.94 -0.336 N +ATOM 774 HN GLY B 303 13.293 106.091 64.480 1.00 0.00 0.164 HD +ATOM 775 CA GLY B 303 12.353 107.569 65.723 1.00 45.87 0.189 C +ATOM 776 C GLY B 303 10.998 107.072 65.257 1.00 49.88 0.253 C +ATOM 777 O GLY B 303 10.902 106.227 64.361 1.00 48.56 -0.270 OA +ATOM 778 N VAL B 304 9.945 107.594 65.877 1.00 47.71 -0.337 N +ATOM 779 HN VAL B 304 10.094 108.276 66.621 1.00 0.00 0.164 HD +ATOM 780 CA VAL B 304 8.586 107.219 65.523 1.00 48.60 0.159 C +ATOM 781 C VAL B 304 7.653 108.412 65.673 1.00 51.43 0.251 C +ATOM 782 O VAL B 304 8.003 109.426 66.275 1.00 50.21 -0.271 OA +ATOM 783 CB VAL B 304 8.039 106.089 66.432 1.00 47.34 0.029 C +ATOM 784 CG1 VAL B 304 9.014 104.913 66.472 1.00 42.52 0.002 C +ATOM 785 CG2 VAL B 304 7.776 106.632 67.831 1.00 45.85 0.002 C +ATOM 786 N CYS B 305 6.463 108.270 65.105 1.00 53.91 -0.337 N +ATOM 787 HN CYS B 305 6.273 107.410 64.590 1.00 0.00 0.164 HD +ATOM 788 CA CYS B 305 5.416 109.275 65.178 1.00 55.79 0.171 C +ATOM 789 C CYS B 305 4.159 108.444 65.383 1.00 59.32 0.252 C +ATOM 790 O CYS B 305 3.495 108.060 64.423 1.00 60.75 -0.271 OA +ATOM 791 CB CYS B 305 5.321 110.062 63.874 1.00 54.76 0.100 C +ATOM 792 SG CYS B 305 6.755 111.082 63.524 1.00 54.65 -0.080 SA +ATOM 793 N THR B 306 3.854 108.150 66.642 1.00 63.16 -0.336 N +ATOM 794 HN THR B 306 4.442 108.507 67.395 1.00 0.00 0.164 HD +ATOM 795 CA THR B 306 2.700 107.330 66.969 1.00 66.97 0.186 C +ATOM 796 C THR B 306 1.766 107.932 68.012 1.00 69.42 0.253 C +ATOM 797 O THR B 306 1.186 107.214 68.827 1.00 70.15 -0.270 OA +ATOM 798 CB THR B 306 3.151 105.930 67.435 1.00 66.09 0.140 C +ATOM 799 CG2 THR B 306 3.688 105.130 66.259 1.00 65.86 0.034 C +ATOM 800 OG1 THR B 306 4.182 106.060 68.420 1.00 65.74 -0.382 OA +ATOM 801 HG1 THR B 306 4.460 105.198 68.707 1.00 0.00 0.210 HD +ATOM 802 N ARG B 307 1.627 109.252 67.988 1.00 72.21 -0.337 N +ATOM 803 HN ARG B 307 2.158 109.799 67.311 1.00 0.00 0.164 HD +ATOM 804 CA ARG B 307 0.729 109.934 68.912 1.00 75.89 0.159 C +ATOM 805 C ARG B 307 -0.561 110.230 68.158 1.00 77.84 0.251 C +ATOM 806 O ARG B 307 -1.656 110.158 68.713 1.00 78.89 -0.271 OA +ATOM 807 CB ARG B 307 1.337 111.249 69.396 1.00 76.46 0.034 C +ATOM 808 CG ARG B 307 2.589 111.102 70.230 1.00 77.44 0.027 C +ATOM 809 CD ARG B 307 2.928 112.426 70.891 1.00 79.57 0.116 C +ATOM 810 NE ARG B 307 1.880 112.857 71.813 1.00 81.27 -0.212 N +ATOM 811 HE ARG B 307 1.391 113.728 71.605 1.00 0.00 0.178 HD +ATOM 812 CZ ARG B 307 1.521 112.190 72.906 1.00 82.29 0.666 C +ATOM 813 NH1 ARG B 307 2.125 111.051 73.225 1.00 82.63 -0.235 N +ATOM 814 1HH1 ARG B 307 1.850 110.539 74.063 1.00 0.00 0.174 HD +ATOM 815 2HH1 ARG B 307 2.869 110.688 72.628 1.00 0.00 0.174 HD +ATOM 816 NH2 ARG B 307 0.555 112.661 73.681 1.00 82.10 -0.235 N +ATOM 817 1HH2 ARG B 307 0.280 112.149 74.519 1.00 0.00 0.174 HD +ATOM 818 2HH2 ARG B 307 0.091 113.536 73.436 1.00 0.00 0.174 HD +ATOM 819 N GLU B 308 -0.407 110.559 66.880 1.00 78.98 -0.338 N +ATOM 820 HN GLU B 308 0.537 110.590 66.495 1.00 0.00 0.164 HD +ATOM 821 CA GLU B 308 -1.527 110.877 66.006 1.00 79.65 0.160 C +ATOM 822 C GLU B 308 -1.210 110.376 64.598 1.00 79.06 0.254 C +ATOM 823 O GLU B 308 -0.045 110.289 64.212 1.00 80.11 -0.270 OA +ATOM 824 CB GLU B 308 -1.754 112.390 65.996 1.00 81.27 0.043 C +ATOM 825 CG GLU B 308 -2.140 112.950 67.358 1.00 85.08 0.100 C +ATOM 826 CD GLU B 308 -1.881 114.440 67.486 1.00 87.37 0.185 C +ATOM 827 OE1 GLU B 308 -0.704 114.849 67.396 1.00 88.19 -0.647 OA +ATOM 828 OE2 GLU B 308 -2.850 115.202 67.680 1.00 89.48 -0.647 OA +ATOM 829 N PRO B 309 -2.245 110.023 63.818 1.00 77.47 -0.312 N +ATOM 830 CA PRO B 309 -2.054 109.528 62.449 1.00 75.71 0.163 C +ATOM 831 C PRO B 309 -1.594 110.623 61.486 1.00 74.68 0.254 C +ATOM 832 O PRO B 309 -1.889 111.802 61.688 1.00 74.41 -0.270 OA +ATOM 833 CB PRO B 309 -3.437 108.992 62.081 1.00 77.33 0.034 C +ATOM 834 CG PRO B 309 -4.048 108.650 63.417 1.00 77.12 0.027 C +ATOM 835 CD PRO B 309 -3.637 109.826 64.250 1.00 76.27 0.105 C +ATOM 836 N PRO B 310 -0.864 110.247 60.422 1.00 72.24 -0.312 N +ATOM 837 CA PRO B 310 -0.454 108.879 60.077 1.00 70.36 0.163 C +ATOM 838 C PRO B 310 0.753 108.420 60.894 1.00 68.15 0.251 C +ATOM 839 O PRO B 310 1.733 109.155 61.035 1.00 66.86 -0.271 OA +ATOM 840 CB PRO B 310 -0.113 108.978 58.588 1.00 70.72 0.034 C +ATOM 841 CG PRO B 310 -0.868 110.200 58.123 1.00 73.50 0.027 C +ATOM 842 CD PRO B 310 -0.667 111.143 59.272 1.00 72.48 0.105 C +ATOM 843 N PHE B 311 0.677 107.203 61.423 1.00 63.96 -0.337 N +ATOM 844 HN PHE B 311 -0.164 106.647 61.268 1.00 0.00 0.164 HD +ATOM 845 CA PHE B 311 1.763 106.641 62.219 1.00 60.36 0.164 C +ATOM 846 C PHE B 311 3.029 106.475 61.387 1.00 57.99 0.251 C +ATOM 847 O PHE B 311 2.973 106.026 60.242 1.00 57.75 -0.271 OA +ATOM 848 CB PHE B 311 1.348 105.284 62.795 1.00 63.83 0.058 C +ATOM 849 CG PHE B 311 0.314 105.372 63.886 1.00 66.15 -0.020 A +ATOM 850 CD1 PHE B 311 -0.312 104.223 64.357 1.00 69.44 -0.004 A +ATOM 851 CD2 PHE B 311 -0.022 106.596 64.457 1.00 68.86 -0.004 A +ATOM 852 CE1 PHE B 311 -1.258 104.291 65.380 1.00 70.64 -0.000 A +ATOM 853 CE2 PHE B 311 -0.964 106.673 65.478 1.00 68.35 -0.000 A +ATOM 854 CZ PHE B 311 -1.582 105.518 65.939 1.00 68.72 -0.000 A +ATOM 855 N TYR B 312 4.167 106.845 61.972 1.00 53.44 -0.337 N +ATOM 856 HN TYR B 312 4.133 107.218 62.921 1.00 0.00 0.164 HD +ATOM 857 CA TYR B 312 5.462 106.737 61.305 1.00 49.80 0.164 C +ATOM 858 C TYR B 312 6.465 105.915 62.110 1.00 48.42 0.251 C +ATOM 859 O TYR B 312 6.414 105.879 63.339 1.00 47.96 -0.271 OA +ATOM 860 CB TYR B 312 6.100 108.117 61.106 1.00 53.86 0.058 C +ATOM 861 CG TYR B 312 5.578 108.981 59.978 1.00 56.83 -0.020 A +ATOM 862 CD1 TYR B 312 6.218 110.183 59.667 1.00 59.45 -0.002 A +ATOM 863 CD2 TYR B 312 4.459 108.619 59.231 1.00 57.92 -0.002 A +ATOM 864 CE1 TYR B 312 5.762 111.005 58.645 1.00 62.27 0.024 A +ATOM 865 CE2 TYR B 312 3.986 109.439 58.199 1.00 59.17 0.024 A +ATOM 866 CZ TYR B 312 4.645 110.631 57.913 1.00 64.08 0.089 A +ATOM 867 OH TYR B 312 4.195 111.457 56.904 1.00 63.59 -0.359 OA +ATOM 868 HH TYR B 312 4.645 112.271 56.709 1.00 0.00 0.217 HD +ATOM 869 N ILE B 313 7.377 105.261 61.396 1.00 45.91 -0.338 N +ATOM 870 HN ILE B 313 7.309 105.289 60.379 1.00 0.00 0.164 HD +ATOM 871 CA ILE B 313 8.470 104.505 61.998 1.00 44.77 0.159 C +ATOM 872 C ILE B 313 9.653 104.811 61.083 1.00 46.30 0.251 C +ATOM 873 O ILE B 313 9.748 104.297 59.966 1.00 45.95 -0.271 OA +ATOM 874 CB ILE B 313 8.217 102.993 62.042 1.00 43.93 0.029 C +ATOM 875 CG1 ILE B 313 7.037 102.687 62.971 1.00 46.60 0.002 C +ATOM 876 CG2 ILE B 313 9.466 102.286 62.566 1.00 44.15 0.002 C +ATOM 877 CD1 ILE B 313 6.732 101.206 63.129 1.00 44.84 0.000 C +ATOM 878 N ILE B 314 10.532 105.684 61.560 1.00 44.10 -0.338 N +ATOM 879 HN ILE B 314 10.391 106.061 62.497 1.00 0.00 0.164 HD +ATOM 880 CA ILE B 314 11.687 106.121 60.796 1.00 42.86 0.159 C +ATOM 881 C ILE B 314 12.951 105.361 61.152 1.00 44.59 0.251 C +ATOM 882 O ILE B 314 13.235 105.101 62.325 1.00 43.77 -0.271 OA +ATOM 883 CB ILE B 314 11.960 107.633 61.014 1.00 43.26 0.029 C +ATOM 884 CG1 ILE B 314 10.709 108.453 60.692 1.00 45.30 0.002 C +ATOM 885 CG2 ILE B 314 13.100 108.094 60.129 1.00 41.20 0.002 C +ATOM 886 CD1 ILE B 314 9.668 108.458 61.800 1.00 49.42 0.000 C +ATOM 887 N THR B 315 13.708 105.008 60.121 1.00 44.97 -0.336 N +ATOM 888 HN THR B 315 13.400 105.242 59.177 1.00 0.00 0.164 HD +ATOM 889 CA THR B 315 14.963 104.298 60.297 1.00 43.79 0.186 C +ATOM 890 C THR B 315 15.930 104.879 59.285 1.00 44.37 0.253 C +ATOM 891 O THR B 315 15.540 105.689 58.446 1.00 42.63 -0.270 OA +ATOM 892 CB THR B 315 14.809 102.788 60.025 1.00 43.24 0.140 C +ATOM 893 CG2 THR B 315 13.614 102.230 60.788 1.00 42.13 0.034 C +ATOM 894 OG1 THR B 315 14.610 102.572 58.626 1.00 40.87 -0.382 OA +ATOM 895 HG1 THR B 315 15.355 102.920 58.150 1.00 0.00 0.210 HD +ATOM 896 N GLU B 316 17.190 104.476 59.374 1.00 47.15 -0.337 N +ATOM 897 HN GLU B 316 17.454 103.821 60.111 1.00 0.00 0.164 HD +ATOM 898 CA GLU B 316 18.205 104.947 58.444 1.00 50.49 0.160 C +ATOM 899 C GLU B 316 17.896 104.412 57.052 1.00 52.53 0.251 C +ATOM 900 O GLU B 316 17.120 103.469 56.903 1.00 52.41 -0.271 OA +ATOM 901 CB GLU B 316 19.578 104.447 58.878 1.00 50.38 0.043 C +ATOM 902 CG GLU B 316 19.608 102.956 59.131 1.00 52.76 0.100 C +ATOM 903 CD GLU B 316 21.001 102.446 59.414 1.00 55.33 0.185 C +ATOM 904 OE1 GLU B 316 21.128 101.289 59.865 1.00 54.24 -0.647 OA +ATOM 905 OE2 GLU B 316 21.969 103.201 59.180 1.00 59.39 -0.647 OA +ATOM 906 N PHE B 317 18.503 105.024 56.039 1.00 53.38 -0.337 N +ATOM 907 HN PHE B 317 19.117 105.813 56.238 1.00 0.00 0.164 HD +ATOM 908 CA PHE B 317 18.321 104.606 54.652 1.00 54.44 0.164 C +ATOM 909 C PHE B 317 19.639 103.984 54.202 1.00 55.98 0.251 C +ATOM 910 O PHE B 317 20.661 104.665 54.159 1.00 57.86 -0.271 OA +ATOM 911 CB PHE B 317 18.004 105.815 53.770 1.00 56.09 0.058 C +ATOM 912 CG PHE B 317 17.780 105.473 52.320 1.00 55.20 -0.020 A +ATOM 913 CD1 PHE B 317 16.494 105.297 51.824 1.00 58.03 -0.004 A +ATOM 914 CD2 PHE B 317 18.856 105.336 51.450 1.00 57.28 -0.004 A +ATOM 915 CE1 PHE B 317 16.279 104.991 50.479 1.00 60.12 -0.000 A +ATOM 916 CE2 PHE B 317 18.654 105.030 50.104 1.00 59.44 -0.000 A +ATOM 917 CZ PHE B 317 17.363 104.858 49.617 1.00 57.35 -0.000 A +ATOM 918 N MET B 318 19.620 102.695 53.880 1.00 55.18 -0.337 N +ATOM 919 HN MET B 318 18.742 102.178 53.936 1.00 0.00 0.164 HD +ATOM 920 CA MET B 318 20.831 102.004 53.447 1.00 55.11 0.160 C +ATOM 921 C MET B 318 21.102 102.259 51.965 1.00 54.30 0.251 C +ATOM 922 O MET B 318 20.317 101.876 51.098 1.00 53.04 -0.271 OA +ATOM 923 CB MET B 318 20.702 100.503 53.713 1.00 58.18 0.043 C +ATOM 924 CG MET B 318 20.524 100.140 55.185 1.00 60.90 0.060 C +ATOM 925 SD MET B 318 21.896 100.667 56.221 1.00 63.63 -0.139 SA +ATOM 926 CE MET B 318 23.154 99.492 55.734 1.00 63.35 0.069 C +ATOM 927 N THR B 319 22.231 102.901 51.689 1.00 53.53 -0.336 N +ATOM 928 HN THR B 319 22.846 103.155 52.462 1.00 0.00 0.164 HD +ATOM 929 CA THR B 319 22.636 103.262 50.332 1.00 52.80 0.186 C +ATOM 930 C THR B 319 22.333 102.283 49.191 1.00 50.74 0.253 C +ATOM 931 O THR B 319 21.649 102.643 48.233 1.00 47.84 -0.270 OA +ATOM 932 CB THR B 319 24.149 103.582 50.283 1.00 56.49 0.140 C +ATOM 933 CG2 THR B 319 24.554 104.036 48.881 1.00 56.51 0.034 C +ATOM 934 OG1 THR B 319 24.452 104.623 51.220 1.00 55.62 -0.382 OA +ATOM 935 HG1 THR B 319 24.200 104.341 52.091 1.00 0.00 0.210 HD +ATOM 936 N TYR B 320 22.823 101.050 49.294 1.00 48.18 -0.337 N +ATOM 937 HN TYR B 320 23.330 100.778 50.136 1.00 0.00 0.164 HD +ATOM 938 CA TYR B 320 22.644 100.081 48.215 1.00 48.42 0.164 C +ATOM 939 C TYR B 320 21.425 99.155 48.175 1.00 47.26 0.251 C +ATOM 940 O TYR B 320 21.452 98.144 47.478 1.00 46.18 -0.271 OA +ATOM 941 CB TYR B 320 23.918 99.240 48.079 1.00 52.04 0.058 C +ATOM 942 CG TYR B 320 25.153 100.071 47.792 1.00 57.47 -0.020 A +ATOM 943 CD1 TYR B 320 25.736 100.848 48.789 1.00 60.26 -0.002 A +ATOM 944 CD2 TYR B 320 25.721 100.102 46.517 1.00 61.19 -0.002 A +ATOM 945 CE1 TYR B 320 26.855 101.640 48.528 1.00 64.21 0.024 A +ATOM 946 CE2 TYR B 320 26.844 100.891 46.245 1.00 63.56 0.024 A +ATOM 947 CZ TYR B 320 27.402 101.656 47.259 1.00 63.08 0.089 A +ATOM 948 OH TYR B 320 28.506 102.436 47.015 1.00 65.46 -0.359 OA +ATOM 949 HH TYR B 320 28.888 102.960 47.709 1.00 0.00 0.217 HD +ATOM 950 N GLY B 321 20.362 99.490 48.901 1.00 44.85 -0.336 N +ATOM 951 HN GLY B 321 20.387 100.329 49.481 1.00 0.00 0.164 HD +ATOM 952 CA GLY B 321 19.162 98.663 48.871 1.00 44.07 0.189 C +ATOM 953 C GLY B 321 19.242 97.295 49.527 1.00 40.43 0.253 C +ATOM 954 O GLY B 321 20.138 97.034 50.323 1.00 40.92 -0.270 OA +ATOM 955 N ASN B 322 18.303 96.413 49.193 1.00 41.21 -0.337 N +ATOM 956 HN ASN B 322 17.588 96.671 48.513 1.00 0.00 0.164 HD +ATOM 957 CA ASN B 322 18.284 95.080 49.789 1.00 40.96 0.169 C +ATOM 958 C ASN B 322 19.392 94.170 49.257 1.00 39.30 0.251 C +ATOM 959 O ASN B 322 19.801 94.266 48.095 1.00 36.04 -0.271 OA +ATOM 960 CB ASN B 322 16.907 94.426 49.597 1.00 44.57 0.119 C +ATOM 961 CG ASN B 322 16.743 93.780 48.236 1.00 48.29 0.230 C +ATOM 962 ND2 ASN B 322 15.932 94.399 47.384 1.00 47.94 -0.369 N +ATOM 963 1HD2 ASN B 322 15.444 95.264 47.617 1.00 0.00 0.159 HD +ATOM 964 2HD2 ASN B 322 15.822 93.964 46.468 1.00 0.00 0.159 HD +ATOM 965 OD1 ASN B 322 17.335 92.732 47.953 1.00 42.76 -0.273 OA +ATOM 966 N LEU B 323 19.857 93.280 50.128 1.00 36.11 -0.338 N +ATOM 967 HN LEU B 323 19.437 93.248 51.057 1.00 0.00 0.164 HD +ATOM 968 CA LEU B 323 20.935 92.348 49.826 1.00 40.45 0.159 C +ATOM 969 C LEU B 323 20.690 91.415 48.641 1.00 43.61 0.251 C +ATOM 970 O LEU B 323 21.619 91.108 47.895 1.00 43.91 -0.271 OA +ATOM 971 CB LEU B 323 21.249 91.513 51.069 1.00 39.01 0.032 C +ATOM 972 CG LEU B 323 22.407 90.523 50.966 1.00 40.68 0.002 C +ATOM 973 CD1 LEU B 323 23.714 91.274 50.715 1.00 41.15 0.000 C +ATOM 974 CD2 LEU B 323 22.484 89.709 52.250 1.00 38.09 0.000 C +ATOM 975 N LEU B 324 19.455 90.958 48.466 1.00 43.66 -0.338 N +ATOM 976 HN LEU B 324 18.713 91.240 49.107 1.00 0.00 0.164 HD +ATOM 977 CA LEU B 324 19.156 90.055 47.361 1.00 43.80 0.159 C +ATOM 978 C LEU B 324 19.513 90.715 46.035 1.00 45.76 0.251 C +ATOM 979 O LEU B 324 20.338 90.195 45.282 1.00 44.41 -0.271 OA +ATOM 980 CB LEU B 324 17.676 89.648 47.362 1.00 40.04 0.032 C +ATOM 981 CG LEU B 324 17.278 88.702 46.217 1.00 43.07 0.002 C +ATOM 982 CD1 LEU B 324 18.294 87.583 46.100 1.00 40.87 0.000 C +ATOM 983 CD2 LEU B 324 15.895 88.131 46.465 1.00 38.63 0.000 C +ATOM 984 N ASP B 325 18.894 91.858 45.754 1.00 44.48 -0.337 N +ATOM 985 HN ASP B 325 18.215 92.234 46.416 1.00 0.00 0.164 HD +ATOM 986 CA ASP B 325 19.165 92.586 44.520 1.00 45.85 0.170 C +ATOM 987 C ASP B 325 20.630 93.008 44.407 1.00 46.19 0.252 C +ATOM 988 O ASP B 325 21.212 92.989 43.321 1.00 45.31 -0.271 OA +ATOM 989 CB ASP B 325 18.274 93.824 44.422 1.00 46.82 0.129 C +ATOM 990 CG ASP B 325 16.830 93.478 44.147 1.00 53.16 0.188 C +ATOM 991 OD1 ASP B 325 16.588 92.561 43.331 1.00 51.05 -0.647 OA +ATOM 992 OD2 ASP B 325 15.937 94.129 44.731 1.00 56.50 -0.647 OA +ATOM 993 N TYR B 326 21.224 93.391 45.529 1.00 43.57 -0.337 N +ATOM 994 HN TYR B 326 20.695 93.393 46.401 1.00 0.00 0.164 HD +ATOM 995 CA TYR B 326 22.617 93.808 45.536 1.00 46.83 0.164 C +ATOM 996 C TYR B 326 23.506 92.697 44.984 1.00 45.51 0.251 C +ATOM 997 O TYR B 326 24.261 92.909 44.039 1.00 48.14 -0.271 OA +ATOM 998 CB TYR B 326 23.056 94.156 46.959 1.00 47.74 0.058 C +ATOM 999 CG TYR B 326 24.497 94.587 47.058 1.00 51.11 -0.020 A +ATOM 1000 CD1 TYR B 326 24.923 95.795 46.507 1.00 52.80 -0.002 A +ATOM 1001 CD2 TYR B 326 25.444 93.776 47.681 1.00 48.59 -0.002 A +ATOM 1002 CE1 TYR B 326 26.259 96.184 46.574 1.00 51.77 0.024 A +ATOM 1003 CE2 TYR B 326 26.780 94.155 47.753 1.00 50.33 0.024 A +ATOM 1004 CZ TYR B 326 27.180 95.359 47.198 1.00 52.60 0.089 A +ATOM 1005 OH TYR B 326 28.498 95.739 47.274 1.00 57.84 -0.359 OA +ATOM 1006 HH TYR B 326 28.772 96.565 46.893 1.00 0.00 0.217 HD +ATOM 1007 N LEU B 327 23.415 91.515 45.583 1.00 43.22 -0.338 N +ATOM 1008 HN LEU B 327 22.770 91.404 46.365 1.00 0.00 0.164 HD +ATOM 1009 CA LEU B 327 24.211 90.371 45.154 1.00 44.02 0.159 C +ATOM 1010 C LEU B 327 24.020 90.046 43.672 1.00 44.99 0.251 C +ATOM 1011 O LEU B 327 24.978 89.728 42.970 1.00 46.22 -0.271 OA +ATOM 1012 CB LEU B 327 23.848 89.143 45.991 1.00 44.34 0.032 C +ATOM 1013 CG LEU B 327 24.360 89.093 47.430 1.00 45.55 0.002 C +ATOM 1014 CD1 LEU B 327 23.612 88.015 48.197 1.00 48.00 0.000 C +ATOM 1015 CD2 LEU B 327 25.853 88.815 47.435 1.00 47.93 0.000 C +ATOM 1016 N ARG B 328 22.781 90.127 43.201 1.00 45.42 -0.338 N +ATOM 1017 HN ARG B 328 22.026 90.407 43.827 1.00 0.00 0.164 HD +ATOM 1018 CA ARG B 328 22.477 89.825 41.809 1.00 47.89 0.159 C +ATOM 1019 C ARG B 328 23.045 90.835 40.816 1.00 49.17 0.251 C +ATOM 1020 O ARG B 328 23.442 90.463 39.712 1.00 51.35 -0.271 OA +ATOM 1021 CB ARG B 328 20.960 89.727 41.612 1.00 45.50 0.034 C +ATOM 1022 CG ARG B 328 20.316 88.529 42.302 1.00 44.91 0.027 C +ATOM 1023 CD ARG B 328 18.805 88.513 42.095 1.00 45.92 0.116 C +ATOM 1024 NE ARG B 328 18.200 87.296 42.631 1.00 49.21 -0.212 N +ATOM 1025 HE ARG B 328 18.824 86.553 42.946 1.00 0.00 0.178 HD +ATOM 1026 CZ ARG B 328 16.891 87.093 42.736 1.00 49.44 0.666 C +ATOM 1027 NH1 ARG B 328 16.040 88.031 42.342 1.00 52.11 -0.235 N +ATOM 1028 1HH1 ARG B 328 16.392 88.907 41.956 1.00 0.00 0.174 HD +ATOM 1029 2HH1 ARG B 328 15.035 87.875 42.423 1.00 0.00 0.174 HD +ATOM 1030 NH2 ARG B 328 16.433 85.953 43.239 1.00 47.26 -0.235 N +ATOM 1031 1HH2 ARG B 328 17.087 85.232 43.542 1.00 0.00 0.174 HD +ATOM 1032 2HH2 ARG B 328 15.428 85.797 43.320 1.00 0.00 0.174 HD +ATOM 1033 N GLU B 329 23.099 92.103 41.214 1.00 48.97 -0.338 N +ATOM 1034 HN GLU B 329 22.798 92.340 42.159 1.00 0.00 0.164 HD +ATOM 1035 CA GLU B 329 23.579 93.168 40.332 1.00 49.49 0.160 C +ATOM 1036 C GLU B 329 24.990 93.687 40.605 1.00 47.42 0.251 C +ATOM 1037 O GLU B 329 25.404 94.684 40.017 1.00 46.12 -0.271 OA +ATOM 1038 CB GLU B 329 22.618 94.353 40.402 1.00 52.14 0.043 C +ATOM 1039 CG GLU B 329 21.156 93.985 40.282 1.00 61.85 0.100 C +ATOM 1040 CD GLU B 329 20.254 95.197 40.409 1.00 66.93 0.185 C +ATOM 1041 OE1 GLU B 329 20.322 96.080 39.527 1.00 73.06 -0.647 OA +ATOM 1042 OE2 GLU B 329 19.483 95.273 41.390 1.00 68.68 -0.647 OA +ATOM 1043 N CYS B 330 25.737 93.012 41.467 1.00 44.78 -0.337 N +ATOM 1044 HN CYS B 330 25.372 92.159 41.890 1.00 0.00 0.164 HD +ATOM 1045 CA CYS B 330 27.073 93.475 41.817 1.00 47.71 0.171 C +ATOM 1046 C CYS B 330 28.235 93.050 40.920 1.00 49.26 0.252 C +ATOM 1047 O CYS B 330 28.135 92.116 40.122 1.00 50.26 -0.271 OA +ATOM 1048 CB CYS B 330 27.402 93.034 43.236 1.00 46.81 0.100 C +ATOM 1049 SG CYS B 330 27.776 91.274 43.333 1.00 50.74 -0.080 SA +ATOM 1050 N ASN B 331 29.344 93.763 41.079 1.00 48.79 -0.337 N +ATOM 1051 HN ASN B 331 29.327 94.550 41.727 1.00 0.00 0.164 HD +ATOM 1052 CA ASN B 331 30.583 93.473 40.371 1.00 51.27 0.169 C +ATOM 1053 C ASN B 331 31.213 92.365 41.219 1.00 52.77 0.251 C +ATOM 1054 O ASN B 331 31.718 92.626 42.313 1.00 52.53 -0.271 OA +ATOM 1055 CB ASN B 331 31.491 94.705 40.380 1.00 49.05 0.119 C +ATOM 1056 CG ASN B 331 32.894 94.409 39.867 1.00 51.83 0.230 C +ATOM 1057 ND2 ASN B 331 33.593 95.452 39.436 1.00 46.57 -0.369 N +ATOM 1058 1HD2 ASN B 331 34.533 95.254 39.092 1.00 0.00 0.159 HD +ATOM 1059 2HD2 ASN B 331 33.216 96.400 39.429 1.00 0.00 0.159 HD +ATOM 1060 OD1 ASN B 331 33.350 93.261 39.875 1.00 47.55 -0.273 OA +ATOM 1061 N ARG B 332 31.185 91.133 40.726 1.00 51.62 -0.338 N +ATOM 1062 HN ARG B 332 30.778 90.962 39.806 1.00 0.00 0.164 HD +ATOM 1063 CA ARG B 332 31.733 90.027 41.494 1.00 49.92 0.159 C +ATOM 1064 C ARG B 332 33.227 90.117 41.762 1.00 53.80 0.251 C +ATOM 1065 O ARG B 332 33.756 89.367 42.583 1.00 52.49 -0.271 OA +ATOM 1066 CB ARG B 332 31.387 88.702 40.827 1.00 45.57 0.034 C +ATOM 1067 CG ARG B 332 29.894 88.495 40.690 1.00 42.61 0.027 C +ATOM 1068 CD ARG B 332 29.570 87.048 40.409 1.00 38.94 0.116 C +ATOM 1069 NE ARG B 332 28.152 86.837 40.146 1.00 39.75 -0.212 N +ATOM 1070 HE ARG B 332 27.544 87.655 40.101 1.00 0.00 0.178 HD +ATOM 1071 CZ ARG B 332 27.606 85.636 39.961 1.00 40.38 0.666 C +ATOM 1072 NH1 ARG B 332 28.364 84.550 40.018 1.00 36.74 -0.235 N +ATOM 1073 1HH1 ARG B 332 29.362 84.641 40.210 1.00 0.00 0.174 HD +ATOM 1074 2HH1 ARG B 332 27.946 83.630 39.876 1.00 0.00 0.174 HD +ATOM 1075 NH2 ARG B 332 26.310 85.518 39.711 1.00 37.28 -0.235 N +ATOM 1076 1HH2 ARG B 332 25.727 86.354 39.667 1.00 0.00 0.174 HD +ATOM 1077 2HH2 ARG B 332 25.892 84.598 39.569 1.00 0.00 0.174 HD +ATOM 1078 N GLN B 333 33.913 91.027 41.078 1.00 55.68 -0.338 N +ATOM 1079 HN GLN B 333 33.440 91.605 40.383 1.00 0.00 0.164 HD +ATOM 1080 CA GLN B 333 35.337 91.200 41.318 1.00 54.78 0.160 C +ATOM 1081 C GLN B 333 35.462 92.041 42.584 1.00 54.70 0.251 C +ATOM 1082 O GLN B 333 36.415 91.899 43.351 1.00 55.32 -0.271 OA +ATOM 1083 CB GLN B 333 36.010 91.912 40.140 1.00 56.79 0.042 C +ATOM 1084 CG GLN B 333 36.085 91.076 38.872 1.00 57.13 0.090 C +ATOM 1085 CD GLN B 333 36.856 89.782 39.073 1.00 56.63 0.227 C +ATOM 1086 NE2 GLN B 333 36.184 88.654 38.872 1.00 55.08 -0.369 N +ATOM 1087 1HE2 GLN B 333 36.702 87.785 39.007 1.00 0.00 0.159 HD +ATOM 1088 2HE2 GLN B 333 35.202 88.641 38.595 1.00 0.00 0.159 HD +ATOM 1089 OE1 GLN B 333 38.039 89.798 39.407 1.00 59.14 -0.273 OA +ATOM 1090 N GLU B 334 34.485 92.919 42.790 1.00 55.37 -0.338 N +ATOM 1091 HN GLU B 334 33.735 92.989 42.102 1.00 0.00 0.164 HD +ATOM 1092 CA GLU B 334 34.446 93.786 43.964 1.00 57.55 0.160 C +ATOM 1093 C GLU B 334 33.935 92.967 45.148 1.00 57.43 0.251 C +ATOM 1094 O GLU B 334 34.604 92.847 46.181 1.00 55.18 -0.271 OA +ATOM 1095 CB GLU B 334 33.498 94.960 43.714 1.00 62.58 0.043 C +ATOM 1096 CG GLU B 334 33.369 95.919 44.885 1.00 69.67 0.100 C +ATOM 1097 CD GLU B 334 32.207 96.879 44.721 1.00 74.32 0.185 C +ATOM 1098 OE1 GLU B 334 32.142 97.559 43.674 1.00 79.00 -0.647 OA +ATOM 1099 OE2 GLU B 334 31.359 96.954 45.639 1.00 74.17 -0.647 OA +ATOM 1100 N VAL B 335 32.738 92.407 44.982 1.00 54.23 -0.338 N +ATOM 1101 HN VAL B 335 32.241 92.562 44.105 1.00 0.00 0.164 HD +ATOM 1102 CA VAL B 335 32.112 91.581 46.008 1.00 49.67 0.159 C +ATOM 1103 C VAL B 335 32.639 90.162 45.846 1.00 47.95 0.251 C +ATOM 1104 O VAL B 335 31.941 89.282 45.350 1.00 51.25 -0.271 OA +ATOM 1105 CB VAL B 335 30.576 91.568 45.851 1.00 46.70 0.029 C +ATOM 1106 CG1 VAL B 335 29.941 90.797 46.995 1.00 45.17 0.002 C +ATOM 1107 CG2 VAL B 335 30.048 92.987 45.805 1.00 44.62 0.002 C +ATOM 1108 N SER B 336 33.882 89.954 46.264 1.00 50.19 -0.336 N +ATOM 1109 HN SER B 336 34.401 90.732 46.671 1.00 0.00 0.164 HD +ATOM 1110 CA SER B 336 34.529 88.654 46.162 1.00 50.78 0.189 C +ATOM 1111 C SER B 336 34.196 87.718 47.320 1.00 51.46 0.253 C +ATOM 1112 O SER B 336 33.421 88.061 48.212 1.00 53.78 -0.270 OA +ATOM 1113 CB SER B 336 36.046 88.838 46.062 1.00 51.89 0.169 C +ATOM 1114 OG SER B 336 36.520 89.730 47.055 1.00 52.11 -0.380 OA +ATOM 1115 HG SER B 336 37.461 89.844 46.993 1.00 0.00 0.211 HD +ATOM 1116 N ALA B 337 34.797 86.533 47.294 1.00 49.94 -0.337 N +ATOM 1117 HN ALA B 337 35.441 86.326 46.531 1.00 0.00 0.164 HD +ATOM 1118 CA ALA B 337 34.570 85.519 48.315 1.00 50.03 0.159 C +ATOM 1119 C ALA B 337 34.806 86.025 49.734 1.00 49.83 0.251 C +ATOM 1120 O ALA B 337 34.033 85.711 50.637 1.00 50.04 -0.271 OA +ATOM 1121 CB ALA B 337 35.454 84.296 48.040 1.00 46.75 0.034 C +ATOM 1122 N VAL B 338 35.870 86.801 49.933 1.00 50.24 -0.338 N +ATOM 1123 HN VAL B 338 36.480 87.029 49.148 1.00 0.00 0.164 HD +ATOM 1124 CA VAL B 338 36.176 87.330 51.258 1.00 49.68 0.159 C +ATOM 1125 C VAL B 338 35.099 88.309 51.718 1.00 48.88 0.251 C +ATOM 1126 O VAL B 338 34.864 88.471 52.912 1.00 50.22 -0.271 OA +ATOM 1127 CB VAL B 338 37.545 88.046 51.285 1.00 52.98 0.029 C +ATOM 1128 CG1 VAL B 338 37.495 89.317 50.445 1.00 54.75 0.002 C +ATOM 1129 CG2 VAL B 338 37.928 88.366 52.722 1.00 52.71 0.002 C +ATOM 1130 N VAL B 339 34.445 88.964 50.767 1.00 47.51 -0.338 N +ATOM 1131 HN VAL B 339 34.684 88.801 49.789 1.00 0.00 0.164 HD +ATOM 1132 CA VAL B 339 33.393 89.911 51.099 1.00 45.37 0.159 C +ATOM 1133 C VAL B 339 32.117 89.148 51.436 1.00 47.62 0.251 C +ATOM 1134 O VAL B 339 31.339 89.571 52.292 1.00 43.96 -0.271 OA +ATOM 1135 CB VAL B 339 33.115 90.865 49.931 1.00 45.16 0.029 C +ATOM 1136 CG1 VAL B 339 32.023 91.851 50.312 1.00 45.11 0.002 C +ATOM 1137 CG2 VAL B 339 34.392 91.600 49.556 1.00 47.25 0.002 C +ATOM 1138 N LEU B 340 31.896 88.026 50.756 1.00 46.11 -0.338 N +ATOM 1139 HN LEU B 340 32.560 87.730 50.041 1.00 0.00 0.164 HD +ATOM 1140 CA LEU B 340 30.711 87.213 51.024 1.00 45.91 0.159 C +ATOM 1141 C LEU B 340 30.838 86.664 52.445 1.00 45.38 0.251 C +ATOM 1142 O LEU B 340 29.868 86.608 53.200 1.00 41.81 -0.271 OA +ATOM 1143 CB LEU B 340 30.621 86.056 50.029 1.00 45.14 0.032 C +ATOM 1144 CG LEU B 340 30.543 86.401 48.542 1.00 43.88 0.002 C +ATOM 1145 CD1 LEU B 340 30.475 85.100 47.752 1.00 45.19 0.000 C +ATOM 1146 CD2 LEU B 340 29.323 87.287 48.250 1.00 37.44 0.000 C +ATOM 1147 N LEU B 341 32.054 86.264 52.801 1.00 45.97 -0.338 N +ATOM 1148 HN LEU B 341 32.816 86.328 52.126 1.00 0.00 0.164 HD +ATOM 1149 CA LEU B 341 32.326 85.737 54.131 1.00 49.34 0.159 C +ATOM 1150 C LEU B 341 32.064 86.840 55.159 1.00 48.11 0.251 C +ATOM 1151 O LEU B 341 31.441 86.608 56.192 1.00 48.89 -0.271 OA +ATOM 1152 CB LEU B 341 33.783 85.276 54.218 1.00 52.29 0.032 C +ATOM 1153 CG LEU B 341 34.211 84.500 55.466 1.00 56.79 0.002 C +ATOM 1154 CD1 LEU B 341 33.396 83.213 55.591 1.00 57.66 0.000 C +ATOM 1155 CD2 LEU B 341 35.694 84.184 55.369 1.00 56.52 0.000 C +ATOM 1156 N TYR B 342 32.541 88.041 54.859 1.00 45.46 -0.337 N +ATOM 1157 HN TYR B 342 33.048 88.165 53.983 1.00 0.00 0.164 HD +ATOM 1158 CA TYR B 342 32.364 89.190 55.741 1.00 46.48 0.164 C +ATOM 1159 C TYR B 342 30.890 89.517 55.933 1.00 45.88 0.251 C +ATOM 1160 O TYR B 342 30.470 89.856 57.038 1.00 46.08 -0.271 OA +ATOM 1161 CB TYR B 342 33.096 90.408 55.167 1.00 47.30 0.058 C +ATOM 1162 CG TYR B 342 32.873 91.703 55.922 1.00 55.58 -0.020 A +ATOM 1163 CD1 TYR B 342 33.197 91.816 57.275 1.00 55.84 -0.002 A +ATOM 1164 CD2 TYR B 342 32.359 92.827 55.274 1.00 56.33 -0.002 A +ATOM 1165 CE1 TYR B 342 33.016 93.019 57.963 1.00 58.12 0.024 A +ATOM 1166 CE2 TYR B 342 32.175 94.032 55.950 1.00 56.29 0.024 A +ATOM 1167 CZ TYR B 342 32.505 94.122 57.292 1.00 58.32 0.089 A +ATOM 1168 OH TYR B 342 32.324 95.315 57.958 1.00 58.50 -0.359 OA +ATOM 1169 HH TYR B 342 31.974 96.070 57.499 1.00 0.00 0.217 HD +ATOM 1170 N MET B 343 30.106 89.408 54.861 1.00 45.59 -0.337 N +ATOM 1171 HN MET B 343 30.511 89.113 53.973 1.00 0.00 0.164 HD +ATOM 1172 CA MET B 343 28.679 89.703 54.933 1.00 47.21 0.160 C +ATOM 1173 C MET B 343 27.937 88.643 55.744 1.00 47.55 0.251 C +ATOM 1174 O MET B 343 26.936 88.934 56.397 1.00 45.86 -0.271 OA +ATOM 1175 CB MET B 343 28.073 89.791 53.528 1.00 49.90 0.043 C +ATOM 1176 CG MET B 343 28.706 90.849 52.632 1.00 51.07 0.060 C +ATOM 1177 SD MET B 343 27.659 91.305 51.225 1.00 60.44 -0.139 SA +ATOM 1178 CE MET B 343 27.502 89.733 50.405 1.00 48.36 0.069 C +ATOM 1179 N ALA B 344 28.429 87.412 55.692 1.00 46.38 -0.338 N +ATOM 1180 HN ALA B 344 29.254 87.228 55.121 1.00 0.00 0.164 HD +ATOM 1181 CA ALA B 344 27.817 86.318 56.432 1.00 47.23 0.159 C +ATOM 1182 C ALA B 344 28.162 86.457 57.909 1.00 46.49 0.251 C +ATOM 1183 O ALA B 344 27.360 86.121 58.777 1.00 46.22 -0.271 OA +ATOM 1184 CB ALA B 344 28.315 84.982 55.904 1.00 44.73 0.034 C +ATOM 1185 N THR B 345 29.364 86.949 58.188 1.00 45.51 -0.336 N +ATOM 1186 HN THR B 345 29.991 87.201 57.424 1.00 0.00 0.164 HD +ATOM 1187 CA THR B 345 29.804 87.135 59.561 1.00 45.91 0.186 C +ATOM 1188 C THR B 345 28.943 88.196 60.233 1.00 44.61 0.253 C +ATOM 1189 O THR B 345 28.535 88.039 61.380 1.00 45.63 -0.270 OA +ATOM 1190 CB THR B 345 31.282 87.569 59.624 1.00 48.50 0.140 C +ATOM 1191 CG2 THR B 345 31.669 87.946 61.046 1.00 45.81 0.034 C +ATOM 1192 OG1 THR B 345 32.115 86.492 59.177 1.00 51.77 -0.382 OA +ATOM 1193 HG1 THR B 345 33.026 86.759 59.216 1.00 0.00 0.210 HD +ATOM 1194 N GLN B 346 28.658 89.268 59.503 1.00 43.78 -0.337 N +ATOM 1195 HN GLN B 346 29.020 89.331 58.551 1.00 0.00 0.164 HD +ATOM 1196 CA GLN B 346 27.842 90.356 60.026 1.00 44.27 0.160 C +ATOM 1197 C GLN B 346 26.435 89.895 60.386 1.00 42.12 0.251 C +ATOM 1198 O GLN B 346 25.907 90.258 61.433 1.00 43.51 -0.271 OA +ATOM 1199 CB GLN B 346 27.748 91.478 59.000 1.00 42.02 0.042 C +ATOM 1200 CG GLN B 346 29.088 92.022 58.564 1.00 48.35 0.090 C +ATOM 1201 CD GLN B 346 28.953 93.152 57.576 1.00 46.02 0.227 C +ATOM 1202 NE2 GLN B 346 29.387 92.911 56.345 1.00 44.94 -0.369 N +ATOM 1203 1HE2 GLN B 346 29.296 93.676 55.676 1.00 0.00 0.159 HD +ATOM 1204 2HE2 GLN B 346 29.799 92.020 56.070 1.00 0.00 0.159 HD +ATOM 1205 OE1 GLN B 346 28.454 94.231 57.909 1.00 49.26 -0.273 OA +ATOM 1206 N ILE B 347 25.827 89.107 59.504 1.00 41.15 -0.338 N +ATOM 1207 HN ILE B 347 26.320 88.845 58.651 1.00 0.00 0.164 HD +ATOM 1208 CA ILE B 347 24.476 88.608 59.723 1.00 36.97 0.159 C +ATOM 1209 C ILE B 347 24.400 87.688 60.946 1.00 35.56 0.251 C +ATOM 1210 O ILE B 347 23.468 87.793 61.745 1.00 37.56 -0.271 OA +ATOM 1211 CB ILE B 347 23.952 87.867 58.460 1.00 41.25 0.029 C +ATOM 1212 CG1 ILE B 347 23.798 88.866 57.307 1.00 38.78 0.002 C +ATOM 1213 CG2 ILE B 347 22.612 87.200 58.754 1.00 35.71 0.002 C +ATOM 1214 CD1 ILE B 347 23.465 88.231 55.971 1.00 39.11 0.000 C +ATOM 1215 N SER B 348 25.371 86.792 61.098 1.00 32.63 -0.336 N +ATOM 1216 HN SER B 348 26.119 86.735 60.407 1.00 0.00 0.164 HD +ATOM 1217 CA SER B 348 25.374 85.891 62.244 1.00 37.65 0.189 C +ATOM 1218 C SER B 348 25.622 86.696 63.522 1.00 39.72 0.254 C +ATOM 1219 O SER B 348 25.186 86.313 64.600 1.00 39.52 -0.270 OA +ATOM 1220 CB SER B 348 26.441 84.798 62.082 1.00 39.08 0.169 C +ATOM 1221 OG SER B 348 27.744 85.338 61.974 1.00 39.72 -0.380 OA +ATOM 1222 HG SER B 348 28.404 84.662 61.874 1.00 0.00 0.211 HD +ATOM 1223 N SER B 349 26.314 87.822 63.399 1.00 39.81 -0.335 N +ATOM 1224 HN SER B 349 26.668 88.103 62.485 1.00 0.00 0.164 HD +ATOM 1225 CA SER B 349 26.571 88.659 64.565 1.00 41.68 0.189 C +ATOM 1226 C SER B 349 25.253 89.254 65.059 1.00 36.17 0.253 C +ATOM 1227 O SER B 349 24.989 89.296 66.257 1.00 32.69 -0.270 OA +ATOM 1228 CB SER B 349 27.542 89.791 64.216 1.00 37.93 0.169 C +ATOM 1229 OG SER B 349 27.790 90.587 65.359 1.00 44.60 -0.380 OA +ATOM 1230 HG SER B 349 28.392 91.289 65.143 1.00 0.00 0.211 HD +ATOM 1231 N ALA B 350 24.434 89.715 64.119 1.00 37.36 -0.337 N +ATOM 1232 HN ALA B 350 24.722 89.654 63.143 1.00 0.00 0.164 HD +ATOM 1233 CA ALA B 350 23.139 90.305 64.433 1.00 36.42 0.159 C +ATOM 1234 C ALA B 350 22.184 89.252 64.991 1.00 42.46 0.251 C +ATOM 1235 O ALA B 350 21.376 89.545 65.878 1.00 41.06 -0.271 OA +ATOM 1236 CB ALA B 350 22.541 90.929 63.188 1.00 37.98 0.034 C +ATOM 1237 N MET B 351 22.270 88.033 64.464 1.00 40.36 -0.337 N +ATOM 1238 HN MET B 351 22.951 87.852 63.727 1.00 0.00 0.164 HD +ATOM 1239 CA MET B 351 21.407 86.954 64.923 1.00 41.47 0.160 C +ATOM 1240 C MET B 351 21.825 86.447 66.301 1.00 41.57 0.251 C +ATOM 1241 O MET B 351 20.977 86.044 67.095 1.00 36.51 -0.271 OA +ATOM 1242 CB MET B 351 21.403 85.795 63.920 1.00 41.63 0.043 C +ATOM 1243 CG MET B 351 20.660 86.100 62.623 1.00 41.13 0.060 C +ATOM 1244 SD MET B 351 19.047 86.874 62.913 1.00 43.15 -0.139 SA +ATOM 1245 CE MET B 351 18.236 85.597 63.882 1.00 42.87 0.069 C +ATOM 1246 N GLU B 352 23.127 86.467 66.583 1.00 39.99 -0.338 N +ATOM 1247 HN GLU B 352 23.786 86.797 65.878 1.00 0.00 0.164 HD +ATOM 1248 CA GLU B 352 23.629 86.027 67.879 1.00 43.93 0.160 C +ATOM 1249 C GLU B 352 23.086 86.954 68.966 1.00 43.48 0.251 C +ATOM 1250 O GLU B 352 22.755 86.515 70.064 1.00 44.68 -0.271 OA +ATOM 1251 CB GLU B 352 25.164 86.035 67.893 1.00 48.86 0.043 C +ATOM 1252 CG GLU B 352 25.779 85.972 69.293 1.00 57.34 0.100 C +ATOM 1253 CD GLU B 352 27.291 85.764 69.280 1.00 63.06 0.185 C +ATOM 1254 OE1 GLU B 352 27.983 86.423 68.473 1.00 65.40 -0.647 OA +ATOM 1255 OE2 GLU B 352 27.790 84.948 70.087 1.00 67.45 -0.647 OA +ATOM 1256 N TYR B 353 22.986 88.238 68.636 1.00 42.90 -0.337 N +ATOM 1257 HN TYR B 353 23.276 88.525 67.701 1.00 0.00 0.164 HD +ATOM 1258 CA TYR B 353 22.479 89.256 69.553 1.00 41.89 0.164 C +ATOM 1259 C TYR B 353 20.978 89.089 69.784 1.00 44.83 0.251 C +ATOM 1260 O TYR B 353 20.486 89.229 70.905 1.00 37.53 -0.271 OA +ATOM 1261 CB TYR B 353 22.755 90.646 68.974 1.00 42.28 0.058 C +ATOM 1262 CG TYR B 353 21.989 91.768 69.633 1.00 44.38 -0.020 A +ATOM 1263 CD1 TYR B 353 22.502 92.438 70.747 1.00 44.91 -0.002 A +ATOM 1264 CD2 TYR B 353 20.752 92.174 69.130 1.00 41.70 -0.002 A +ATOM 1265 CE1 TYR B 353 21.797 93.498 71.339 1.00 43.06 0.024 A +ATOM 1266 CE2 TYR B 353 20.043 93.218 69.710 1.00 42.52 0.024 A +ATOM 1267 CZ TYR B 353 20.569 93.880 70.810 1.00 44.80 0.089 A +ATOM 1268 OH TYR B 353 19.872 94.936 71.351 1.00 45.54 -0.359 OA +ATOM 1269 HH TYR B 353 20.232 95.389 72.104 1.00 0.00 0.217 HD +ATOM 1270 N LEU B 354 20.255 88.804 68.709 1.00 44.23 -0.338 N +ATOM 1271 HN LEU B 354 20.720 88.708 67.806 1.00 0.00 0.164 HD +ATOM 1272 CA LEU B 354 18.814 88.625 68.788 1.00 45.25 0.159 C +ATOM 1273 C LEU B 354 18.550 87.387 69.637 1.00 45.48 0.251 C +ATOM 1274 O LEU B 354 17.584 87.326 70.400 1.00 44.21 -0.271 OA +ATOM 1275 CB LEU B 354 18.245 88.443 67.382 1.00 46.09 0.032 C +ATOM 1276 CG LEU B 354 16.989 89.230 67.015 1.00 50.52 0.002 C +ATOM 1277 CD1 LEU B 354 17.219 90.721 67.209 1.00 45.57 0.000 C +ATOM 1278 CD2 LEU B 354 16.626 88.932 65.568 1.00 49.98 0.000 C +ATOM 1279 N GLU B 355 19.430 86.403 69.501 1.00 46.83 -0.338 N +ATOM 1280 HN GLU B 355 20.204 86.522 68.847 1.00 0.00 0.164 HD +ATOM 1281 CA GLU B 355 19.330 85.160 70.252 1.00 48.13 0.160 C +ATOM 1282 C GLU B 355 19.435 85.487 71.738 1.00 50.27 0.251 C +ATOM 1283 O GLU B 355 18.570 85.116 72.531 1.00 49.16 -0.271 OA +ATOM 1284 CB GLU B 355 20.468 84.222 69.839 1.00 49.61 0.043 C +ATOM 1285 CG GLU B 355 20.430 82.836 70.457 1.00 52.59 0.100 C +ATOM 1286 CD GLU B 355 21.483 81.916 69.857 1.00 59.47 0.185 C +ATOM 1287 OE1 GLU B 355 22.677 82.065 70.202 1.00 59.55 -0.647 OA +ATOM 1288 OE2 GLU B 355 21.118 81.052 69.025 1.00 59.17 -0.647 OA +ATOM 1289 N LYS B 356 20.498 86.201 72.097 1.00 50.22 -0.338 N +ATOM 1290 HN LYS B 356 21.162 86.487 71.378 1.00 0.00 0.164 HD +ATOM 1291 CA LYS B 356 20.751 86.591 73.479 1.00 51.76 0.159 C +ATOM 1292 C LYS B 356 19.598 87.370 74.107 1.00 51.92 0.251 C +ATOM 1293 O LYS B 356 19.281 87.173 75.280 1.00 55.00 -0.271 OA +ATOM 1294 CB LYS B 356 22.027 87.433 73.557 1.00 57.08 0.032 C +ATOM 1295 CG LYS B 356 22.384 87.884 74.963 1.00 60.99 0.004 C +ATOM 1296 CD LYS B 356 22.726 89.372 75.013 1.00 68.06 0.032 C +ATOM 1297 CE LYS B 356 23.909 89.721 74.114 1.00 68.70 0.206 C +ATOM 1298 NZ LYS B 356 24.292 91.160 74.222 1.00 68.76 -0.064 N +ATOM 1299 HZ1 LYS B 356 25.083 91.393 73.621 1.00 0.00 0.275 HD +ATOM 1300 HZ2 LYS B 356 24.474 91.422 75.191 1.00 0.00 0.275 HD +ATOM 1301 HZ3 LYS B 356 23.495 91.769 74.037 1.00 0.00 0.275 HD +ATOM 1302 N LYS B 357 18.977 88.259 73.338 1.00 51.34 -0.338 N +ATOM 1303 HN LYS B 357 19.279 88.388 72.372 1.00 0.00 0.164 HD +ATOM 1304 CA LYS B 357 17.869 89.053 73.857 1.00 52.55 0.159 C +ATOM 1305 C LYS B 357 16.563 88.264 73.787 1.00 52.39 0.251 C +ATOM 1306 O LYS B 357 15.479 88.810 74.006 1.00 54.66 -0.271 OA +ATOM 1307 CB LYS B 357 17.737 90.372 73.077 1.00 55.59 0.032 C +ATOM 1308 CG LYS B 357 18.961 91.297 73.154 1.00 56.63 0.004 C +ATOM 1309 CD LYS B 357 19.171 91.930 74.542 1.00 63.56 0.032 C +ATOM 1310 CE LYS B 357 18.636 93.368 74.618 1.00 67.06 0.206 C +ATOM 1311 NZ LYS B 357 19.040 94.077 75.877 1.00 68.49 -0.064 N +ATOM 1312 HZ1 LYS B 357 18.685 95.032 75.927 1.00 0.00 0.275 HD +ATOM 1313 HZ2 LYS B 357 20.053 94.058 75.997 1.00 0.00 0.275 HD +ATOM 1314 HZ3 LYS B 357 18.765 93.542 76.701 1.00 0.00 0.275 HD +ATOM 1315 N ASN B 358 16.681 86.976 73.483 1.00 49.52 -0.337 N +ATOM 1316 HN ASN B 358 17.611 86.595 73.308 1.00 0.00 0.164 HD +ATOM 1317 CA ASN B 358 15.525 86.086 73.391 1.00 53.82 0.169 C +ATOM 1318 C ASN B 358 14.467 86.459 72.354 1.00 51.77 0.251 C +ATOM 1319 O ASN B 358 13.276 86.233 72.566 1.00 49.27 -0.271 OA +ATOM 1320 CB ASN B 358 14.857 85.953 74.762 1.00 57.34 0.119 C +ATOM 1321 CG ASN B 358 15.710 85.191 75.751 1.00 63.23 0.230 C +ATOM 1322 ND2 ASN B 358 16.121 85.863 76.823 1.00 64.37 -0.369 N +ATOM 1323 1HD2 ASN B 358 15.880 86.840 76.987 1.00 0.00 0.159 HD +ATOM 1324 2HD2 ASN B 358 16.696 85.349 77.490 1.00 0.00 0.159 HD +ATOM 1325 OD1 ASN B 358 16.002 84.009 75.553 1.00 64.88 -0.273 OA +ATOM 1326 N PHE B 359 14.893 87.037 71.237 1.00 50.74 -0.337 N +ATOM 1327 HN PHE B 359 15.886 87.238 71.119 1.00 0.00 0.164 HD +ATOM 1328 CA PHE B 359 13.956 87.386 70.179 1.00 48.94 0.164 C +ATOM 1329 C PHE B 359 14.117 86.366 69.062 1.00 48.91 0.251 C +ATOM 1330 O PHE B 359 15.153 85.710 68.956 1.00 47.05 -0.271 OA +ATOM 1331 CB PHE B 359 14.239 88.778 69.605 1.00 49.23 0.058 C +ATOM 1332 CG PHE B 359 13.835 89.908 70.502 1.00 54.15 -0.020 A +ATOM 1333 CD1 PHE B 359 14.650 90.303 71.556 1.00 59.49 -0.004 A +ATOM 1334 CD2 PHE B 359 12.643 90.592 70.284 1.00 55.84 -0.004 A +ATOM 1335 CE1 PHE B 359 14.286 91.369 72.384 1.00 59.73 -0.000 A +ATOM 1336 CE2 PHE B 359 12.269 91.656 71.103 1.00 60.03 -0.000 A +ATOM 1337 CZ PHE B 359 13.097 92.045 72.157 1.00 58.83 -0.000 A +ATOM 1338 N ILE B 360 13.084 86.230 68.240 1.00 47.61 -0.338 N +ATOM 1339 HN ILE B 360 12.241 86.778 68.410 1.00 0.00 0.164 HD +ATOM 1340 CA ILE B 360 13.119 85.321 67.102 1.00 45.03 0.159 C +ATOM 1341 C ILE B 360 12.891 86.236 65.909 1.00 43.76 0.251 C +ATOM 1342 O ILE B 360 12.130 87.196 66.012 1.00 44.52 -0.271 OA +ATOM 1343 CB ILE B 360 11.977 84.281 67.164 1.00 47.39 0.029 C +ATOM 1344 CG1 ILE B 360 12.125 83.416 68.411 1.00 46.50 0.002 C +ATOM 1345 CG2 ILE B 360 11.994 83.407 65.917 1.00 49.94 0.002 C +ATOM 1346 CD1 ILE B 360 10.991 82.422 68.591 1.00 53.95 0.000 C +ATOM 1347 N HIS B 361 13.551 85.969 64.787 1.00 42.35 -0.337 N +ATOM 1348 HN HIS B 361 14.184 85.171 64.740 1.00 0.00 0.164 HD +ATOM 1349 CA HIS B 361 13.362 86.824 63.629 1.00 37.28 0.165 C +ATOM 1350 C HIS B 361 12.130 86.373 62.854 1.00 42.02 0.251 C +ATOM 1351 O HIS B 361 11.218 87.170 62.625 1.00 37.92 -0.271 OA +ATOM 1352 CB HIS B 361 14.592 86.809 62.721 1.00 34.94 0.077 C +ATOM 1353 CG HIS B 361 14.512 87.805 61.605 1.00 38.51 0.054 A +ATOM 1354 CD2 HIS B 361 15.235 88.922 61.352 1.00 36.94 0.086 A +ATOM 1355 ND1 HIS B 361 13.534 87.755 60.634 1.00 41.05 -0.340 N +ATOM 1356 HD1 HIS B 361 12.827 87.025 60.547 1.00 0.00 0.167 HD +ATOM 1357 CE1 HIS B 361 13.655 88.799 59.834 1.00 43.74 0.151 A +ATOM 1358 NE2 HIS B 361 14.679 89.523 60.249 1.00 41.38 -0.336 N +ATOM 1359 HE2 HIS B 361 15.004 90.389 59.820 1.00 0.00 0.168 HD +ATOM 1360 N ARG B 362 12.122 85.098 62.454 1.00 43.91 -0.338 N +ATOM 1361 HN ARG B 362 12.937 84.523 62.667 1.00 0.00 0.164 HD +ATOM 1362 CA ARG B 362 11.007 84.476 61.725 1.00 49.09 0.159 C +ATOM 1363 C ARG B 362 10.984 84.569 60.203 1.00 47.30 0.251 C +ATOM 1364 O ARG B 362 10.291 83.792 59.548 1.00 49.17 -0.271 OA +ATOM 1365 CB ARG B 362 9.665 84.989 62.250 1.00 47.78 0.034 C +ATOM 1366 CG ARG B 362 8.965 84.061 63.214 1.00 53.51 0.027 C +ATOM 1367 CD ARG B 362 7.611 84.641 63.578 1.00 63.27 0.116 C +ATOM 1368 NE ARG B 362 6.991 83.952 64.704 1.00 73.72 -0.212 N +ATOM 1369 HE ARG B 362 7.347 83.030 64.958 1.00 0.00 0.178 HD +ATOM 1370 CZ ARG B 362 5.989 84.455 65.419 1.00 78.38 0.666 C +ATOM 1371 NH1 ARG B 362 5.496 85.652 65.120 1.00 79.63 -0.235 N +ATOM 1372 1HH1 ARG B 362 5.883 86.179 64.337 1.00 0.00 0.174 HD +ATOM 1373 2HH1 ARG B 362 4.727 86.038 65.668 1.00 0.00 0.174 HD +ATOM 1374 NH2 ARG B 362 5.486 83.769 66.438 1.00 79.55 -0.235 N +ATOM 1375 1HH2 ARG B 362 5.864 82.850 66.668 1.00 0.00 0.174 HD +ATOM 1376 2HH2 ARG B 362 4.717 84.155 66.986 1.00 0.00 0.174 HD +ATOM 1377 N ASP B 363 11.716 85.514 59.631 1.00 45.67 -0.337 N +ATOM 1378 HN ASP B 363 12.272 86.148 60.205 1.00 0.00 0.164 HD +ATOM 1379 CA ASP B 363 11.725 85.646 58.181 1.00 41.11 0.170 C +ATOM 1380 C ASP B 363 13.098 86.114 57.719 1.00 40.65 0.251 C +ATOM 1381 O ASP B 363 13.238 87.123 57.030 1.00 40.60 -0.271 OA +ATOM 1382 CB ASP B 363 10.629 86.621 57.753 1.00 40.55 0.129 C +ATOM 1383 CG ASP B 363 10.401 86.630 56.256 1.00 42.37 0.188 C +ATOM 1384 OD1 ASP B 363 10.935 85.748 55.553 1.00 40.32 -0.647 OA +ATOM 1385 OD2 ASP B 363 9.671 87.524 55.781 1.00 45.37 -0.647 OA +ATOM 1386 N LEU B 364 14.111 85.351 58.114 1.00 38.51 -0.338 N +ATOM 1387 HN LEU B 364 13.911 84.528 58.682 1.00 0.00 0.164 HD +ATOM 1388 CA LEU B 364 15.490 85.642 57.770 1.00 40.49 0.159 C +ATOM 1389 C LEU B 364 15.748 85.230 56.324 1.00 41.07 0.251 C +ATOM 1390 O LEU B 364 15.540 84.078 55.952 1.00 41.06 -0.271 OA +ATOM 1391 CB LEU B 364 16.421 84.871 58.705 1.00 40.42 0.032 C +ATOM 1392 CG LEU B 364 17.882 85.297 58.767 1.00 42.42 0.002 C +ATOM 1393 CD1 LEU B 364 17.968 86.766 59.177 1.00 41.71 0.000 C +ATOM 1394 CD2 LEU B 364 18.615 84.411 59.771 1.00 43.45 0.000 C +ATOM 1395 N ALA B 365 16.198 86.181 55.514 1.00 37.10 -0.338 N +ATOM 1396 HN ALA B 365 16.350 87.118 55.887 1.00 0.00 0.164 HD +ATOM 1397 CA ALA B 365 16.481 85.926 54.110 1.00 38.81 0.159 C +ATOM 1398 C ALA B 365 17.201 87.136 53.537 1.00 40.47 0.251 C +ATOM 1399 O ALA B 365 17.167 88.220 54.123 1.00 44.04 -0.271 OA +ATOM 1400 CB ALA B 365 15.181 85.683 53.345 1.00 35.54 0.034 C +ATOM 1401 N ALA B 366 17.846 86.955 52.391 1.00 37.66 -0.338 N +ATOM 1402 HN ALA B 366 17.835 86.037 51.947 1.00 0.00 0.164 HD +ATOM 1403 CA ALA B 366 18.568 88.048 51.759 1.00 37.36 0.159 C +ATOM 1404 C ALA B 366 17.639 89.215 51.455 1.00 36.88 0.251 C +ATOM 1405 O ALA B 366 18.059 90.370 51.494 1.00 41.13 -0.271 OA +ATOM 1406 CB ALA B 366 19.239 87.563 50.479 1.00 36.20 0.034 C +ATOM 1407 N ARG B 367 16.375 88.918 51.165 1.00 36.20 -0.338 N +ATOM 1408 HN ARG B 367 16.076 87.943 51.170 1.00 0.00 0.164 HD +ATOM 1409 CA ARG B 367 15.408 89.962 50.840 1.00 37.47 0.159 C +ATOM 1410 C ARG B 367 15.084 90.850 52.035 1.00 39.58 0.251 C +ATOM 1411 O ARG B 367 14.469 91.906 51.879 1.00 40.48 -0.271 OA +ATOM 1412 CB ARG B 367 14.112 89.352 50.282 1.00 39.82 0.034 C +ATOM 1413 CG ARG B 367 13.443 88.356 51.214 1.00 38.32 0.027 C +ATOM 1414 CD ARG B 367 12.083 87.891 50.697 1.00 38.54 0.116 C +ATOM 1415 NE ARG B 367 11.494 86.944 51.637 1.00 35.40 -0.212 N +ATOM 1416 HE ARG B 367 10.754 87.281 52.253 1.00 0.00 0.178 HD +ATOM 1417 CZ ARG B 367 11.858 85.672 51.743 1.00 39.37 0.666 C +ATOM 1418 NH1 ARG B 367 12.806 85.181 50.952 1.00 39.13 -0.235 N +ATOM 1419 1HH1 ARG B 367 13.233 85.775 50.241 1.00 0.00 0.174 HD +ATOM 1420 2HH1 ARG B 367 13.086 84.203 51.033 1.00 0.00 0.174 HD +ATOM 1421 NH2 ARG B 367 11.303 84.900 52.667 1.00 39.80 -0.235 N +ATOM 1422 1HH2 ARG B 367 10.575 85.277 53.274 1.00 0.00 0.174 HD +ATOM 1423 2HH2 ARG B 367 11.583 83.922 52.748 1.00 0.00 0.174 HD +ATOM 1424 N ASN B 368 15.500 90.424 53.225 1.00 40.23 -0.337 N +ATOM 1425 HN ASN B 368 16.000 89.537 53.291 1.00 0.00 0.164 HD +ATOM 1426 CA ASN B 368 15.256 91.199 54.439 1.00 41.87 0.169 C +ATOM 1427 C ASN B 368 16.529 91.806 55.011 1.00 43.14 0.251 C +ATOM 1428 O ASN B 368 16.586 92.147 56.190 1.00 44.09 -0.271 OA +ATOM 1429 CB ASN B 368 14.587 90.329 55.509 1.00 42.88 0.119 C +ATOM 1430 CG ASN B 368 13.080 90.327 55.392 1.00 42.86 0.230 C +ATOM 1431 ND2 ASN B 368 12.484 89.139 55.325 1.00 46.50 -0.369 N +ATOM 1432 1HD2 ASN B 368 13.003 88.261 55.345 1.00 0.00 0.159 HD +ATOM 1433 2HD2 ASN B 368 11.467 89.138 55.246 1.00 0.00 0.159 HD +ATOM 1434 OD1 ASN B 368 12.454 91.386 55.368 1.00 41.81 -0.273 OA +ATOM 1435 N CYS B 369 17.551 91.937 54.174 1.00 43.07 -0.337 N +ATOM 1436 HN CYS B 369 17.446 91.632 53.206 1.00 0.00 0.164 HD +ATOM 1437 CA CYS B 369 18.817 92.506 54.606 1.00 44.05 0.171 C +ATOM 1438 C CYS B 369 19.163 93.698 53.722 1.00 45.02 0.252 C +ATOM 1439 O CYS B 369 18.729 93.767 52.570 1.00 43.08 -0.271 OA +ATOM 1440 CB CYS B 369 19.923 91.453 54.534 1.00 38.25 0.100 C +ATOM 1441 SG CYS B 369 19.694 90.076 55.668 1.00 42.97 -0.080 SA +ATOM 1442 N LEU B 370 19.933 94.633 54.272 1.00 40.84 -0.337 N +ATOM 1443 HN LEU B 370 20.254 94.510 55.232 1.00 0.00 0.164 HD +ATOM 1444 CA LEU B 370 20.332 95.831 53.539 1.00 43.08 0.159 C +ATOM 1445 C LEU B 370 21.842 95.917 53.439 1.00 40.71 0.251 C +ATOM 1446 O LEU B 370 22.558 95.310 54.229 1.00 42.49 -0.271 OA +ATOM 1447 CB LEU B 370 19.819 97.092 54.236 1.00 42.39 0.032 C +ATOM 1448 CG LEU B 370 18.315 97.313 54.389 1.00 42.77 0.002 C +ATOM 1449 CD1 LEU B 370 17.656 97.374 53.020 1.00 43.01 0.000 C +ATOM 1450 CD2 LEU B 370 17.729 96.198 55.231 1.00 48.97 0.000 C +ATOM 1451 N VAL B 371 22.322 96.676 52.461 1.00 40.28 -0.338 N +ATOM 1452 HN VAL B 371 21.675 97.150 51.831 1.00 0.00 0.164 HD +ATOM 1453 CA VAL B 371 23.754 96.844 52.272 1.00 42.22 0.159 C +ATOM 1454 C VAL B 371 24.088 98.326 52.322 1.00 43.56 0.251 C +ATOM 1455 O VAL B 371 23.490 99.134 51.612 1.00 44.01 -0.271 OA +ATOM 1456 CB VAL B 371 24.222 96.275 50.914 1.00 39.08 0.029 C +ATOM 1457 CG1 VAL B 371 25.744 96.309 50.831 1.00 38.10 0.002 C +ATOM 1458 CG2 VAL B 371 23.716 94.856 50.746 1.00 38.10 0.002 C +ATOM 1459 N GLY B 372 25.035 98.678 53.182 1.00 44.86 -0.336 N +ATOM 1460 HN GLY B 372 25.481 97.968 53.763 1.00 0.00 0.164 HD +ATOM 1461 CA GLY B 372 25.440 100.064 53.301 1.00 45.48 0.189 C +ATOM 1462 C GLY B 372 26.768 100.262 52.605 1.00 47.52 0.253 C +ATOM 1463 O GLY B 372 27.174 99.436 51.785 1.00 44.70 -0.270 OA +ATOM 1464 N GLU B 373 27.453 101.351 52.934 1.00 51.07 -0.337 N +ATOM 1465 HN GLU B 373 27.069 101.996 53.625 1.00 0.00 0.164 HD +ATOM 1466 CA GLU B 373 28.742 101.638 52.325 1.00 52.60 0.160 C +ATOM 1467 C GLU B 373 29.776 100.670 52.880 1.00 49.91 0.251 C +ATOM 1468 O GLU B 373 29.658 100.205 54.012 1.00 48.06 -0.271 OA +ATOM 1469 CB GLU B 373 29.163 103.077 52.631 1.00 59.32 0.043 C +ATOM 1470 CG GLU B 373 30.043 103.709 51.565 1.00 66.60 0.100 C +ATOM 1471 CD GLU B 373 29.277 104.012 50.290 1.00 72.06 0.185 C +ATOM 1472 OE1 GLU B 373 28.258 104.733 50.369 1.00 74.97 -0.647 OA +ATOM 1473 OE2 GLU B 373 29.691 103.534 49.210 1.00 76.33 -0.647 OA +ATOM 1474 N ASN B 374 30.782 100.362 52.071 1.00 50.75 -0.337 N +ATOM 1475 HN ASN B 374 30.808 100.773 51.138 1.00 0.00 0.164 HD +ATOM 1476 CA ASN B 374 31.852 99.456 52.472 1.00 51.23 0.169 C +ATOM 1477 C ASN B 374 31.360 98.057 52.837 1.00 49.34 0.251 C +ATOM 1478 O ASN B 374 31.865 97.432 53.769 1.00 48.33 -0.271 OA +ATOM 1479 CB ASN B 374 32.631 100.059 53.641 1.00 57.43 0.119 C +ATOM 1480 CG ASN B 374 33.260 101.396 53.289 1.00 62.52 0.230 C +ATOM 1481 ND2 ASN B 374 32.840 102.449 53.982 1.00 64.66 -0.369 N +ATOM 1482 1HD2 ASN B 374 33.262 103.347 53.746 1.00 0.00 0.159 HD +ATOM 1483 2HD2 ASN B 374 32.138 102.379 54.719 1.00 0.00 0.159 HD +ATOM 1484 OD1 ASN B 374 34.108 101.481 52.399 1.00 65.43 -0.273 OA +ATOM 1485 N HIS B 375 30.367 97.575 52.098 1.00 47.47 -0.337 N +ATOM 1486 HN HIS B 375 29.972 98.156 51.359 1.00 0.00 0.164 HD +ATOM 1487 CA HIS B 375 29.826 96.237 52.314 1.00 47.74 0.165 C +ATOM 1488 C HIS B 375 29.304 95.998 53.723 1.00 44.50 0.251 C +ATOM 1489 O HIS B 375 29.449 94.905 54.283 1.00 41.71 -0.271 OA +ATOM 1490 CB HIS B 375 30.896 95.207 51.958 1.00 51.06 0.077 C +ATOM 1491 CG HIS B 375 31.372 95.321 50.545 1.00 52.88 0.054 A +ATOM 1492 CD2 HIS B 375 30.713 95.657 49.411 1.00 51.98 0.086 A +ATOM 1493 ND1 HIS B 375 32.684 95.112 50.180 1.00 54.17 -0.340 N +ATOM 1494 HD1 HIS B 375 33.436 94.839 50.812 1.00 0.00 0.167 HD +ATOM 1495 CE1 HIS B 375 32.814 95.321 48.882 1.00 54.37 0.151 A +ATOM 1496 NE2 HIS B 375 31.633 95.653 48.392 1.00 53.75 -0.336 N +ATOM 1497 HE2 HIS B 375 31.437 95.871 47.415 1.00 0.00 0.168 HD +ATOM 1498 N LEU B 376 28.698 97.038 54.285 1.00 41.92 -0.338 N +ATOM 1499 HN LEU B 376 28.642 97.914 53.765 1.00 0.00 0.164 HD +ATOM 1500 CA LEU B 376 28.112 96.974 55.613 1.00 45.47 0.159 C +ATOM 1501 C LEU B 376 26.752 96.324 55.382 1.00 42.97 0.251 C +ATOM 1502 O LEU B 376 26.012 96.738 54.491 1.00 39.45 -0.271 OA +ATOM 1503 CB LEU B 376 27.916 98.386 56.178 1.00 40.75 0.032 C +ATOM 1504 CG LEU B 376 27.933 98.582 57.698 1.00 48.67 0.002 C +ATOM 1505 CD1 LEU B 376 27.477 100.005 58.020 1.00 47.57 0.000 C +ATOM 1506 CD2 LEU B 376 27.037 97.571 58.386 1.00 42.83 0.000 C +ATOM 1507 N VAL B 377 26.431 95.305 56.170 1.00 43.20 -0.338 N +ATOM 1508 HN VAL B 377 27.089 94.994 56.884 1.00 0.00 0.164 HD +ATOM 1509 CA VAL B 377 25.151 94.625 56.028 1.00 45.83 0.159 C +ATOM 1510 C VAL B 377 24.359 94.604 57.330 1.00 44.54 0.251 C +ATOM 1511 O VAL B 377 24.893 94.268 58.389 1.00 43.34 -0.271 OA +ATOM 1512 CB VAL B 377 25.343 93.172 55.547 1.00 46.68 0.029 C +ATOM 1513 CG1 VAL B 377 23.999 92.483 55.442 1.00 49.77 0.002 C +ATOM 1514 CG2 VAL B 377 26.043 93.164 54.200 1.00 46.39 0.002 C +ATOM 1515 N LYS B 378 23.084 94.970 57.245 1.00 43.50 -0.338 N +ATOM 1516 HN LYS B 378 22.705 95.251 56.341 1.00 0.00 0.164 HD +ATOM 1517 CA LYS B 378 22.218 94.978 58.414 1.00 44.23 0.159 C +ATOM 1518 C LYS B 378 20.972 94.132 58.201 1.00 43.11 0.251 C +ATOM 1519 O LYS B 378 20.404 94.110 57.111 1.00 43.44 -0.271 OA +ATOM 1520 CB LYS B 378 21.799 96.409 58.776 1.00 45.43 0.032 C +ATOM 1521 CG LYS B 378 22.728 97.091 59.774 1.00 48.24 0.004 C +ATOM 1522 CD LYS B 378 23.717 98.005 59.094 1.00 50.86 0.032 C +ATOM 1523 CE LYS B 378 23.290 99.459 59.226 1.00 54.33 0.206 C +ATOM 1524 NZ LYS B 378 23.361 99.953 60.637 1.00 53.28 -0.064 N +ATOM 1525 HZ1 LYS B 378 23.075 100.928 60.726 1.00 0.00 0.275 HD +ATOM 1526 HZ2 LYS B 378 24.291 99.807 61.030 1.00 0.00 0.275 HD +ATOM 1527 HZ3 LYS B 378 22.822 99.354 61.263 1.00 0.00 0.275 HD +ATOM 1528 N VAL B 379 20.553 93.434 59.250 1.00 42.09 -0.338 N +ATOM 1529 HN VAL B 379 21.080 93.478 60.122 1.00 0.00 0.164 HD +ATOM 1530 CA VAL B 379 19.357 92.607 59.180 1.00 39.06 0.159 C +ATOM 1531 C VAL B 379 18.143 93.487 59.456 1.00 41.73 0.251 C +ATOM 1532 O VAL B 379 18.201 94.436 60.251 1.00 36.73 -0.271 OA +ATOM 1533 CB VAL B 379 19.386 91.470 60.222 1.00 42.29 0.029 C +ATOM 1534 CG1 VAL B 379 18.054 90.728 60.217 1.00 38.55 0.002 C +ATOM 1535 CG2 VAL B 379 20.531 90.510 59.918 1.00 41.15 0.002 C +ATOM 1536 N ALA B 380 17.040 93.170 58.795 1.00 38.27 -0.338 N +ATOM 1537 HN ALA B 380 17.052 92.377 58.154 1.00 0.00 0.164 HD +ATOM 1538 CA ALA B 380 15.816 93.928 58.965 1.00 39.90 0.159 C +ATOM 1539 C ALA B 380 14.625 92.978 58.893 1.00 41.97 0.251 C +ATOM 1540 O ALA B 380 14.795 91.764 58.750 1.00 38.02 -0.271 OA +ATOM 1541 CB ALA B 380 15.714 94.985 57.871 1.00 36.31 0.034 C +ATOM 1542 N ASP B 381 13.425 93.535 59.005 1.00 40.71 -0.337 N +ATOM 1543 HN ASP B 381 13.356 94.541 59.160 1.00 0.00 0.164 HD +ATOM 1544 CA ASP B 381 12.202 92.743 58.911 1.00 44.98 0.170 C +ATOM 1545 C ASP B 381 11.152 93.648 58.295 1.00 42.69 0.252 C +ATOM 1546 O ASP B 381 10.478 94.398 58.995 1.00 42.92 -0.271 OA +ATOM 1547 CB ASP B 381 11.739 92.266 60.286 1.00 46.36 0.129 C +ATOM 1548 CG ASP B 381 10.585 91.279 60.197 1.00 52.76 0.188 C +ATOM 1549 OD1 ASP B 381 9.566 91.607 59.552 1.00 55.91 -0.647 OA +ATOM 1550 OD2 ASP B 381 10.695 90.175 60.768 1.00 56.26 -0.647 OA +ATOM 1551 N PHE B 382 11.021 93.568 56.977 1.00 42.29 -0.337 N +ATOM 1552 HN PHE B 382 11.591 92.897 56.463 1.00 0.00 0.164 HD +ATOM 1553 CA PHE B 382 10.086 94.411 56.243 1.00 44.71 0.164 C +ATOM 1554 C PHE B 382 8.643 93.923 56.218 1.00 45.58 0.251 C +ATOM 1555 O PHE B 382 7.775 94.601 55.669 1.00 47.77 -0.271 OA +ATOM 1556 CB PHE B 382 10.587 94.581 54.806 1.00 44.03 0.058 C +ATOM 1557 CG PHE B 382 12.011 95.054 54.713 1.00 42.22 -0.020 A +ATOM 1558 CD1 PHE B 382 12.884 94.493 53.783 1.00 40.74 -0.004 A +ATOM 1559 CD2 PHE B 382 12.476 96.071 55.539 1.00 45.39 -0.004 A +ATOM 1560 CE1 PHE B 382 14.195 94.941 53.678 1.00 45.20 -0.000 A +ATOM 1561 CE2 PHE B 382 13.789 96.528 55.441 1.00 42.75 -0.000 A +ATOM 1562 CZ PHE B 382 14.649 95.964 54.509 1.00 42.32 -0.000 A +ATOM 1563 N GLY B 383 8.380 92.764 56.815 1.00 44.09 -0.336 N +ATOM 1564 HN GLY B 383 9.128 92.249 57.280 1.00 0.00 0.164 HD +ATOM 1565 CA GLY B 383 7.028 92.231 56.806 1.00 48.34 0.189 C +ATOM 1566 C GLY B 383 6.614 91.972 55.368 1.00 50.90 0.253 C +ATOM 1567 O GLY B 383 5.533 92.367 54.931 1.00 51.41 -0.270 OA +ATOM 1568 N LEU B 384 7.491 91.295 54.634 1.00 52.75 -0.337 N +ATOM 1569 HN LEU B 384 8.353 90.974 55.076 1.00 0.00 0.164 HD +ATOM 1570 CA LEU B 384 7.275 90.992 53.228 1.00 55.19 0.159 C +ATOM 1571 C LEU B 384 6.114 90.057 52.892 1.00 58.94 0.251 C +ATOM 1572 O LEU B 384 5.530 90.167 51.816 1.00 59.47 -0.271 OA +ATOM 1573 CB LEU B 384 8.573 90.446 52.632 1.00 54.88 0.032 C +ATOM 1574 CG LEU B 384 9.726 91.454 52.662 1.00 51.59 0.002 C +ATOM 1575 CD1 LEU B 384 11.017 90.796 52.208 1.00 45.97 0.000 C +ATOM 1576 CD2 LEU B 384 9.373 92.637 51.771 1.00 53.04 0.000 C +ATOM 1577 N SER B 385 5.774 89.140 53.792 1.00 64.05 -0.336 N +ATOM 1578 HN SER B 385 6.291 89.076 54.669 1.00 0.00 0.164 HD +ATOM 1579 CA SER B 385 4.665 88.222 53.535 1.00 70.12 0.189 C +ATOM 1580 C SER B 385 3.354 88.996 53.607 1.00 75.85 0.253 C +ATOM 1581 O SER B 385 2.314 88.534 53.139 1.00 76.77 -0.270 OA +ATOM 1582 CB SER B 385 4.644 87.096 54.572 1.00 67.12 0.169 C +ATOM 1583 OG SER B 385 4.282 87.583 55.852 1.00 58.83 -0.380 OA +ATOM 1584 HG SER B 385 4.269 86.884 56.496 1.00 0.00 0.211 HD +ATOM 1585 N ARG B 386 3.428 90.182 54.200 1.00 82.61 -0.337 N +ATOM 1586 HN ARG B 386 4.336 90.493 54.546 1.00 0.00 0.164 HD +ATOM 1587 CA ARG B 386 2.281 91.063 54.383 1.00 88.74 0.159 C +ATOM 1588 C ARG B 386 1.923 91.878 53.135 1.00 92.31 0.251 C +ATOM 1589 O ARG B 386 0.913 92.586 53.123 1.00 92.08 -0.271 OA +ATOM 1590 CB ARG B 386 2.571 92.001 55.564 1.00 90.89 0.034 C +ATOM 1591 CG ARG B 386 1.681 93.230 55.686 1.00 93.95 0.027 C +ATOM 1592 CD ARG B 386 2.246 94.181 56.733 1.00 95.77 0.116 C +ATOM 1593 NE ARG B 386 1.632 95.505 56.687 1.00 96.72 -0.212 N +ATOM 1594 HE ARG B 386 0.852 95.649 56.046 1.00 0.00 0.178 HD +ATOM 1595 CZ ARG B 386 2.028 96.535 57.430 1.00 97.73 0.666 C +ATOM 1596 NH1 ARG B 386 3.037 96.392 58.279 1.00 97.41 -0.235 N +ATOM 1597 1HH1 ARG B 386 3.341 97.182 58.849 1.00 0.00 0.174 HD +ATOM 1598 2HH1 ARG B 386 3.504 95.489 58.362 1.00 0.00 0.174 HD +ATOM 1599 NH2 ARG B 386 1.421 97.710 57.322 1.00 97.83 -0.235 N +ATOM 1600 1HH2 ARG B 386 1.725 98.500 57.892 1.00 0.00 0.174 HD +ATOM 1601 2HH2 ARG B 386 0.645 97.820 56.669 1.00 0.00 0.174 HD +ATOM 1602 N LEU B 387 2.728 91.772 52.081 1.00 95.98 -0.338 N +ATOM 1603 HN LEU B 387 3.538 91.153 52.117 1.00 0.00 0.164 HD +ATOM 1604 CA LEU B 387 2.449 92.543 50.874 1.00 99.89 0.159 C +ATOM 1605 C LEU B 387 3.150 92.098 49.589 1.00102.93 0.251 C +ATOM 1606 O LEU B 387 2.554 92.136 48.510 1.00104.09 -0.271 OA +ATOM 1607 CB LEU B 387 2.756 94.022 51.144 1.00 98.96 0.032 C +ATOM 1608 CG LEU B 387 3.996 94.333 51.993 1.00 98.28 0.002 C +ATOM 1609 CD1 LEU B 387 5.267 93.986 51.236 1.00 97.78 0.000 C +ATOM 1610 CD2 LEU B 387 3.992 95.803 52.361 1.00 98.14 0.000 C +ATOM 1611 N MET B 388 4.407 91.680 49.699 1.00105.85 -0.337 N +ATOM 1612 HN MET B 388 4.844 91.655 50.620 1.00 0.00 0.164 HD +ATOM 1613 CA MET B 388 5.177 91.256 48.532 1.00107.68 0.160 C +ATOM 1614 C MET B 388 4.792 89.870 48.025 1.00108.48 0.251 C +ATOM 1615 O MET B 388 5.165 88.855 48.613 1.00109.34 -0.271 OA +ATOM 1616 CB MET B 388 6.676 91.300 48.854 1.00108.44 0.043 C +ATOM 1617 CG MET B 388 7.590 90.839 47.725 1.00108.77 0.060 C +ATOM 1618 SD MET B 388 8.091 89.110 47.867 1.00109.33 -0.139 SA +ATOM 1619 CE MET B 388 9.663 89.289 48.714 1.00105.50 0.069 C +ATOM 1620 N THR B 389 4.042 89.840 46.927 1.00108.91 -0.336 N +ATOM 1621 HN THR B 389 3.762 90.720 46.494 1.00 0.00 0.164 HD +ATOM 1622 CA THR B 389 3.608 88.585 46.324 1.00109.26 0.186 C +ATOM 1623 C THR B 389 4.803 87.844 45.727 1.00109.02 0.253 C +ATOM 1624 O THR B 389 5.945 88.282 45.862 1.00108.94 -0.270 OA +ATOM 1625 CB THR B 389 2.553 88.839 45.217 1.00109.72 0.140 C +ATOM 1626 CG2 THR B 389 3.046 89.897 44.240 1.00109.05 0.034 C +ATOM 1627 OG1 THR B 389 2.282 87.617 44.516 1.00108.56 -0.382 OA +ATOM 1628 HG1 THR B 389 1.974 86.957 45.126 1.00 0.00 0.210 HD +ATOM 1629 N GLY B 390 4.537 86.718 45.074 1.00108.54 -0.336 N +ATOM 1630 HN GLY B 390 3.574 86.392 44.996 1.00 0.00 0.164 HD +ATOM 1631 CA GLY B 390 5.610 85.950 44.472 1.00107.43 0.189 C +ATOM 1632 C GLY B 390 5.700 84.538 45.010 1.00107.08 0.253 C +ATOM 1633 O GLY B 390 5.191 84.240 46.092 1.00107.57 -0.270 OA +ATOM 1634 N ASP B 391 6.361 83.668 44.252 1.00106.09 -0.337 N +ATOM 1635 HN ASP B 391 6.765 83.990 43.372 1.00 0.00 0.164 HD +ATOM 1636 CA ASP B 391 6.530 82.270 44.632 1.00103.55 0.170 C +ATOM 1637 C ASP B 391 7.237 82.178 45.984 1.00100.42 0.252 C +ATOM 1638 O ASP B 391 7.327 81.105 46.583 1.00 99.63 -0.271 OA +ATOM 1639 CB ASP B 391 7.344 81.537 43.563 1.00105.12 0.129 C +ATOM 1640 CG ASP B 391 7.140 80.036 43.602 1.00107.68 0.188 C +ATOM 1641 OD1 ASP B 391 7.918 79.311 42.944 1.00108.66 -0.647 OA +ATOM 1642 OD2 ASP B 391 6.195 79.581 44.280 1.00108.47 -0.647 OA +ATOM 1643 N THR B 392 7.738 83.318 46.454 1.00 96.37 -0.336 N +ATOM 1644 HN THR B 392 7.635 84.168 45.900 1.00 0.00 0.164 HD +ATOM 1645 CA THR B 392 8.428 83.391 47.732 1.00 92.38 0.186 C +ATOM 1646 C THR B 392 7.475 83.004 48.850 1.00 90.43 0.253 C +ATOM 1647 O THR B 392 7.679 81.999 49.527 1.00 89.91 -0.270 OA +ATOM 1648 CB THR B 392 8.945 84.812 48.024 1.00 91.96 0.140 C +ATOM 1649 CG2 THR B 392 9.643 84.850 49.372 1.00 90.52 0.034 C +ATOM 1650 OG1 THR B 392 9.865 85.212 47.002 1.00 91.73 -0.382 OA +ATOM 1651 HG1 THR B 392 9.428 85.188 46.159 1.00 0.00 0.210 HD +ATOM 1652 N TYR B 393 6.435 83.805 49.054 1.00 88.33 -0.337 N +ATOM 1653 HN TYR B 393 6.304 84.632 48.471 1.00 0.00 0.164 HD +ATOM 1654 CA TYR B 393 5.484 83.500 50.110 1.00 87.81 0.164 C +ATOM 1655 C TYR B 393 4.281 82.724 49.614 1.00 88.50 0.251 C +ATOM 1656 O TYR B 393 3.725 83.004 48.552 1.00 87.91 -0.271 OA +ATOM 1657 CB TYR B 393 5.041 84.773 50.823 1.00 84.96 0.058 C +ATOM 1658 CG TYR B 393 6.185 85.463 51.516 1.00 81.76 -0.020 A +ATOM 1659 CD1 TYR B 393 6.928 86.443 50.860 1.00 79.05 -0.002 A +ATOM 1660 CD2 TYR B 393 6.547 85.115 52.817 1.00 79.35 -0.002 A +ATOM 1661 CE1 TYR B 393 8.001 87.063 51.480 1.00 77.45 0.024 A +ATOM 1662 CE2 TYR B 393 7.623 85.728 53.451 1.00 77.45 0.024 A +ATOM 1663 CZ TYR B 393 8.345 86.704 52.775 1.00 77.81 0.089 A +ATOM 1664 OH TYR B 393 9.405 87.331 53.389 1.00 73.09 -0.359 OA +ATOM 1665 HH TYR B 393 9.641 87.085 54.276 1.00 0.00 0.217 HD +ATOM 1666 N THR B 394 3.885 81.743 50.411 1.00 88.86 -0.336 N +ATOM 1667 HN THR B 394 4.381 81.592 51.290 1.00 0.00 0.164 HD +ATOM 1668 CA THR B 394 2.772 80.877 50.078 1.00 90.08 0.186 C +ATOM 1669 C THR B 394 1.830 80.741 51.265 1.00 90.30 0.253 C +ATOM 1670 O THR B 394 2.140 81.197 52.363 1.00 90.29 -0.270 OA +ATOM 1671 CB THR B 394 3.311 79.491 49.664 1.00 90.77 0.140 C +ATOM 1672 CG2 THR B 394 2.205 78.461 49.607 1.00 91.02 0.034 C +ATOM 1673 OG1 THR B 394 3.947 79.597 48.385 1.00 90.67 -0.382 OA +ATOM 1674 HG1 THR B 394 4.279 78.744 48.130 1.00 0.00 0.210 HD +ATOM 1675 N ALA B 395 0.683 80.108 51.032 1.00 92.17 -0.337 N +ATOM 1676 HN ALA B 395 0.503 79.756 50.092 1.00 0.00 0.164 HD +ATOM 1677 CA ALA B 395 -0.330 79.894 52.062 1.00 93.30 0.159 C +ATOM 1678 C ALA B 395 0.110 78.906 53.144 1.00 94.85 0.251 C +ATOM 1679 O ALA B 395 0.607 77.816 52.850 1.00 95.37 -0.271 OA +ATOM 1680 CB ALA B 395 -1.619 79.412 51.418 1.00 92.96 0.034 C +ATOM 1681 N HIS B 396 -0.096 79.294 54.400 1.00 96.13 -0.337 N +ATOM 1682 HN HIS B 396 -0.534 80.199 54.573 1.00 0.00 0.164 HD +ATOM 1683 CA HIS B 396 0.285 78.465 55.537 1.00 97.49 0.165 C +ATOM 1684 C HIS B 396 -0.261 79.037 56.841 1.00 97.02 0.251 C +ATOM 1685 O HIS B 396 -0.073 80.220 57.138 1.00 96.46 -0.271 OA +ATOM 1686 CB HIS B 396 1.808 78.377 55.606 1.00100.00 0.077 C +ATOM 1687 CG HIS B 396 2.318 77.268 56.469 1.00103.17 0.054 A +ATOM 1688 CD2 HIS B 396 2.879 76.081 56.145 1.00104.07 0.086 A +ATOM 1689 ND1 HIS B 396 2.308 77.324 57.848 1.00105.51 -0.340 N +ATOM 1690 HD1 HIS B 396 1.943 78.097 58.405 1.00 0.00 0.167 HD +ATOM 1691 CE1 HIS B 396 2.846 76.219 58.333 1.00105.21 0.151 A +ATOM 1692 NE2 HIS B 396 3.201 75.448 57.321 1.00105.24 -0.336 N +ATOM 1693 HE2 HIS B 396 3.642 74.532 57.400 1.00 0.00 0.168 HD +ATOM 1694 N ALA B 397 -0.919 78.182 57.620 1.00 96.42 -0.338 N +ATOM 1695 HN ALA B 397 -1.013 77.212 57.318 1.00 0.00 0.164 HD +ATOM 1696 CA ALA B 397 -1.510 78.584 58.889 1.00 95.22 0.159 C +ATOM 1697 C ALA B 397 -2.421 79.762 58.603 1.00 94.55 0.251 C +ATOM 1698 O ALA B 397 -2.515 80.707 59.388 1.00 95.07 -0.271 OA +ATOM 1699 CB ALA B 397 -0.426 78.976 59.875 1.00 94.46 0.034 C +ATOM 1700 N GLY B 398 -3.087 79.690 57.456 1.00 93.37 -0.336 N +ATOM 1701 HN GLY B 398 -2.964 78.877 56.853 1.00 0.00 0.164 HD +ATOM 1702 CA GLY B 398 -3.985 80.751 57.051 1.00 92.57 0.189 C +ATOM 1703 C GLY B 398 -3.207 81.961 56.573 1.00 92.15 0.253 C +ATOM 1704 O GLY B 398 -3.670 82.704 55.706 1.00 93.22 -0.270 OA +ATOM 1705 N ALA B 399 -2.021 82.159 57.142 1.00 90.20 -0.337 N +ATOM 1706 HN ALA B 399 -1.703 81.507 57.859 1.00 0.00 0.164 HD +ATOM 1707 CA ALA B 399 -1.160 83.279 56.775 1.00 86.69 0.159 C +ATOM 1708 C ALA B 399 -0.246 82.850 55.633 1.00 83.96 0.251 C +ATOM 1709 O ALA B 399 -0.533 81.878 54.934 1.00 82.76 -0.271 OA +ATOM 1710 CB ALA B 399 -0.330 83.722 57.977 1.00 86.13 0.034 C +ATOM 1711 N LYS B 400 0.848 83.577 55.435 1.00 80.89 -0.338 N +ATOM 1712 HN LYS B 400 1.034 84.382 56.033 1.00 0.00 0.164 HD +ATOM 1713 CA LYS B 400 1.785 83.237 54.373 1.00 77.37 0.159 C +ATOM 1714 C LYS B 400 3.196 83.069 54.909 1.00 74.19 0.251 C +ATOM 1715 O LYS B 400 3.632 83.820 55.776 1.00 72.06 -0.271 OA +ATOM 1716 CB LYS B 400 1.761 84.300 53.271 1.00 78.88 0.032 C +ATOM 1717 CG LYS B 400 0.458 84.337 52.487 1.00 79.79 0.004 C +ATOM 1718 CD LYS B 400 0.579 85.204 51.247 1.00 82.91 0.032 C +ATOM 1719 CE LYS B 400 -0.699 85.165 50.423 1.00 83.71 0.206 C +ATOM 1720 NZ LYS B 400 -0.578 85.965 49.173 1.00 83.83 -0.064 N +ATOM 1721 HZ1 LYS B 400 -1.435 85.939 48.620 1.00 0.00 0.275 HD +ATOM 1722 HZ2 LYS B 400 0.228 85.671 48.621 1.00 0.00 0.275 HD +ATOM 1723 HZ3 LYS B 400 -0.295 86.924 49.373 1.00 0.00 0.275 HD +ATOM 1724 N PHE B 401 3.903 82.075 54.380 1.00 73.11 -0.337 N +ATOM 1725 HN PHE B 401 3.476 81.499 53.654 1.00 0.00 0.164 HD +ATOM 1726 CA PHE B 401 5.268 81.778 54.800 1.00 71.48 0.164 C +ATOM 1727 C PHE B 401 6.141 81.423 53.602 1.00 68.24 0.254 C +ATOM 1728 O PHE B 401 5.652 80.894 52.604 1.00 69.79 -0.270 OA +ATOM 1729 CB PHE B 401 5.273 80.593 55.777 1.00 76.06 0.058 C +ATOM 1730 CG PHE B 401 4.671 80.898 57.124 1.00 80.39 -0.020 A +ATOM 1731 CD1 PHE B 401 4.005 79.905 57.836 1.00 81.97 -0.004 A +ATOM 1732 CD2 PHE B 401 4.787 82.164 57.694 1.00 82.77 -0.004 A +ATOM 1733 CE1 PHE B 401 3.462 80.169 59.093 1.00 83.90 -0.000 A +ATOM 1734 CE2 PHE B 401 4.248 82.437 58.950 1.00 82.28 -0.000 A +ATOM 1735 CZ PHE B 401 3.585 81.439 59.650 1.00 83.17 -0.000 A +ATOM 1736 N PRO B 402 7.446 81.731 53.678 1.00 64.67 -0.312 N +ATOM 1737 CA PRO B 402 8.375 81.422 52.587 1.00 60.15 0.163 C +ATOM 1738 C PRO B 402 8.840 79.978 52.780 1.00 57.73 0.251 C +ATOM 1739 O PRO B 402 9.864 79.720 53.416 1.00 57.02 -0.271 OA +ATOM 1740 CB PRO B 402 9.489 82.436 52.797 1.00 61.76 0.034 C +ATOM 1741 CG PRO B 402 9.562 82.521 54.288 1.00 61.06 0.027 C +ATOM 1742 CD PRO B 402 8.099 82.579 54.694 1.00 63.09 0.105 C +ATOM 1743 N ILE B 403 8.062 79.046 52.237 1.00 54.84 -0.338 N +ATOM 1744 HN ILE B 403 7.239 79.345 51.715 1.00 0.00 0.164 HD +ATOM 1745 CA ILE B 403 8.329 77.615 52.352 1.00 49.28 0.159 C +ATOM 1746 C ILE B 403 9.788 77.196 52.181 1.00 46.51 0.251 C +ATOM 1747 O ILE B 403 10.310 76.417 52.979 1.00 46.17 -0.271 OA +ATOM 1748 CB ILE B 403 7.473 76.822 51.343 1.00 53.22 0.029 C +ATOM 1749 CG1 ILE B 403 5.990 77.127 51.569 1.00 56.68 0.002 C +ATOM 1750 CG2 ILE B 403 7.728 75.331 51.496 1.00 54.57 0.002 C +ATOM 1751 CD1 ILE B 403 5.478 76.726 52.943 1.00 60.66 0.000 C +ATOM 1752 N LYS B 404 10.449 77.710 51.150 1.00 43.32 -0.338 N +ATOM 1753 HN LYS B 404 9.979 78.368 50.528 1.00 0.00 0.164 HD +ATOM 1754 CA LYS B 404 11.839 77.345 50.897 1.00 45.29 0.159 C +ATOM 1755 C LYS B 404 12.862 77.845 51.927 1.00 45.08 0.251 C +ATOM 1756 O LYS B 404 14.029 77.462 51.874 1.00 40.37 -0.271 OA +ATOM 1757 CB LYS B 404 12.253 77.799 49.495 1.00 47.44 0.032 C +ATOM 1758 CG LYS B 404 11.600 77.010 48.364 1.00 51.71 0.004 C +ATOM 1759 CD LYS B 404 12.136 77.457 47.010 1.00 59.07 0.032 C +ATOM 1760 CE LYS B 404 11.398 76.797 45.852 1.00 63.83 0.206 C +ATOM 1761 NZ LYS B 404 11.518 75.316 45.872 1.00 66.28 -0.064 N +ATOM 1762 HZ1 LYS B 404 11.024 74.874 45.097 1.00 0.00 0.275 HD +ATOM 1763 HZ2 LYS B 404 11.212 74.935 46.767 1.00 0.00 0.275 HD +ATOM 1764 HZ3 LYS B 404 12.496 75.027 45.897 1.00 0.00 0.275 HD +ATOM 1765 N TRP B 405 12.421 78.690 52.857 1.00 43.26 -0.337 N +ATOM 1766 HN TRP B 405 11.442 78.974 52.835 1.00 0.00 0.164 HD +ATOM 1767 CA TRP B 405 13.287 79.230 53.914 1.00 44.35 0.164 C +ATOM 1768 C TRP B 405 12.816 78.714 55.275 1.00 45.92 0.251 C +ATOM 1769 O TRP B 405 13.487 78.902 56.289 1.00 46.80 -0.271 OA +ATOM 1770 CB TRP B 405 13.220 80.766 53.931 1.00 41.89 0.060 C +ATOM 1771 CG TRP B 405 14.113 81.469 52.947 1.00 37.51 -0.001 A +ATOM 1772 CD1 TRP B 405 15.362 81.976 53.188 1.00 41.01 0.068 A +ATOM 1773 CD2 TRP B 405 13.824 81.756 51.572 1.00 40.95 0.013 A +ATOM 1774 CE2 TRP B 405 14.943 82.443 51.044 1.00 39.54 0.056 A +ATOM 1775 CE3 TRP B 405 12.727 81.503 50.734 1.00 39.21 0.001 A +ATOM 1776 NE1 TRP B 405 15.866 82.564 52.051 1.00 38.04 -0.352 N +ATOM 1777 HE1 TRP B 405 16.777 83.016 51.970 1.00 0.00 0.166 HD +ATOM 1778 CZ2 TRP B 405 14.994 82.879 49.716 1.00 37.01 0.017 A +ATOM 1779 CZ3 TRP B 405 12.780 81.938 49.414 1.00 37.12 0.000 A +ATOM 1780 CH2 TRP B 405 13.905 82.619 48.920 1.00 41.36 0.002 A +ATOM 1781 N THR B 406 11.663 78.053 55.282 1.00 45.75 -0.336 N +ATOM 1782 HN THR B 406 11.185 77.892 54.395 1.00 0.00 0.164 HD +ATOM 1783 CA THR B 406 11.053 77.548 56.507 1.00 45.29 0.186 C +ATOM 1784 C THR B 406 11.493 76.167 56.975 1.00 45.66 0.253 C +ATOM 1785 O THR B 406 11.519 75.208 56.203 1.00 45.29 -0.270 OA +ATOM 1786 CB THR B 406 9.529 77.543 56.367 1.00 45.72 0.140 C +ATOM 1787 CG2 THR B 406 8.869 77.184 57.689 1.00 49.56 0.034 C +ATOM 1788 OG1 THR B 406 9.095 78.843 55.952 1.00 49.87 -0.382 OA +ATOM 1789 HG1 THR B 406 8.149 78.840 55.865 1.00 0.00 0.210 HD +ATOM 1790 N ALA B 407 11.810 76.080 58.264 1.00 44.67 -0.337 N +ATOM 1791 HN ALA B 407 11.737 76.917 58.842 1.00 0.00 0.164 HD +ATOM 1792 CA ALA B 407 12.258 74.839 58.886 1.00 43.43 0.160 C +ATOM 1793 C ALA B 407 11.137 73.786 58.939 1.00 45.39 0.254 C +ATOM 1794 O ALA B 407 9.954 74.122 59.030 1.00 36.97 -0.270 OA +ATOM 1795 CB ALA B 407 12.770 75.135 60.293 1.00 36.35 0.034 C +ATOM 1796 N PRO B 408 11.503 72.496 58.881 1.00 47.56 -0.312 N +ATOM 1797 CA PRO B 408 10.539 71.388 58.922 1.00 49.63 0.163 C +ATOM 1798 C PRO B 408 9.515 71.499 60.052 1.00 50.38 0.251 C +ATOM 1799 O PRO B 408 8.307 71.433 59.810 1.00 51.33 -0.271 OA +ATOM 1800 CB PRO B 408 11.435 70.163 59.075 1.00 52.37 0.034 C +ATOM 1801 CG PRO B 408 12.646 70.551 58.281 1.00 52.18 0.027 C +ATOM 1802 CD PRO B 408 12.876 71.989 58.711 1.00 47.72 0.105 C +ATOM 1803 N GLU B 409 10.001 71.669 61.279 1.00 47.91 -0.338 N +ATOM 1804 HN GLU B 409 11.011 71.723 61.410 1.00 0.00 0.164 HD +ATOM 1805 CA GLU B 409 9.127 71.780 62.443 1.00 47.85 0.160 C +ATOM 1806 C GLU B 409 8.154 72.949 62.306 1.00 49.49 0.251 C +ATOM 1807 O GLU B 409 7.024 72.886 62.796 1.00 51.37 -0.271 OA +ATOM 1808 CB GLU B 409 9.954 71.976 63.714 1.00 50.73 0.043 C +ATOM 1809 CG GLU B 409 10.641 73.333 63.782 1.00 49.30 0.100 C +ATOM 1810 CD GLU B 409 12.117 73.270 63.443 1.00 49.71 0.185 C +ATOM 1811 OE1 GLU B 409 12.510 72.407 62.631 1.00 51.12 -0.647 OA +ATOM 1812 OE2 GLU B 409 12.883 74.095 63.983 1.00 51.98 -0.647 OA +ATOM 1813 N SER B 410 8.603 74.018 61.652 1.00 44.40 -0.336 N +ATOM 1814 HN SER B 410 9.552 74.008 61.279 1.00 0.00 0.164 HD +ATOM 1815 CA SER B 410 7.776 75.204 61.454 1.00 45.83 0.189 C +ATOM 1816 C SER B 410 6.685 74.939 60.424 1.00 46.48 0.253 C +ATOM 1817 O SER B 410 5.587 75.477 60.523 1.00 48.07 -0.270 OA +ATOM 1818 CB SER B 410 8.639 76.385 60.992 1.00 44.33 0.169 C +ATOM 1819 OG SER B 410 9.675 76.658 61.922 1.00 43.10 -0.380 OA +ATOM 1820 HG SER B 410 10.209 77.389 61.636 1.00 0.00 0.211 HD +ATOM 1821 N LEU B 411 7.001 74.117 59.428 1.00 47.38 -0.337 N +ATOM 1822 HN LEU B 411 7.939 73.719 59.391 1.00 0.00 0.164 HD +ATOM 1823 CA LEU B 411 6.041 73.769 58.386 1.00 49.69 0.159 C +ATOM 1824 C LEU B 411 4.993 72.780 58.900 1.00 50.59 0.251 C +ATOM 1825 O LEU B 411 3.801 72.933 58.633 1.00 49.41 -0.271 OA +ATOM 1826 CB LEU B 411 6.764 73.159 57.178 1.00 48.27 0.032 C +ATOM 1827 CG LEU B 411 7.581 74.106 56.288 1.00 45.55 0.002 C +ATOM 1828 CD1 LEU B 411 8.377 73.319 55.249 1.00 45.56 0.000 C +ATOM 1829 CD2 LEU B 411 6.642 75.077 55.611 1.00 46.75 0.000 C +ATOM 1830 N ALA B 412 5.440 71.783 59.656 1.00 52.49 -0.338 N +ATOM 1831 HN ALA B 412 6.434 71.738 59.879 1.00 0.00 0.164 HD +ATOM 1832 CA ALA B 412 4.548 70.749 60.177 1.00 57.20 0.159 C +ATOM 1833 C ALA B 412 3.726 71.100 61.417 1.00 59.67 0.251 C +ATOM 1834 O ALA B 412 2.547 70.746 61.495 1.00 59.80 -0.271 OA +ATOM 1835 CB ALA B 412 5.345 69.472 60.437 1.00 55.68 0.034 C +ATOM 1836 N TYR B 413 4.332 71.787 62.383 1.00 61.57 -0.337 N +ATOM 1837 HN TYR B 413 5.303 72.076 62.265 1.00 0.00 0.164 HD +ATOM 1838 CA TYR B 413 3.617 72.131 63.611 1.00 62.41 0.164 C +ATOM 1839 C TYR B 413 3.602 73.622 63.935 1.00 60.98 0.251 C +ATOM 1840 O TYR B 413 3.224 74.019 65.039 1.00 54.23 -0.271 OA +ATOM 1841 CB TYR B 413 4.216 71.361 64.792 1.00 66.43 0.058 C +ATOM 1842 CG TYR B 413 4.663 69.960 64.436 1.00 72.86 -0.020 A +ATOM 1843 CD1 TYR B 413 5.924 69.730 63.882 1.00 75.43 -0.002 A +ATOM 1844 CD2 TYR B 413 3.817 68.868 64.622 1.00 75.63 -0.002 A +ATOM 1845 CE1 TYR B 413 6.331 68.443 63.522 1.00 77.75 0.024 A +ATOM 1846 CE2 TYR B 413 4.213 67.576 64.263 1.00 78.28 0.024 A +ATOM 1847 CZ TYR B 413 5.471 67.371 63.714 1.00 78.89 0.089 A +ATOM 1848 OH TYR B 413 5.864 66.100 63.356 1.00 79.66 -0.359 OA +ATOM 1849 HH TYR B 413 5.275 65.366 63.487 1.00 0.00 0.217 HD +ATOM 1850 N ASN B 414 4.007 74.443 62.972 1.00 60.67 -0.337 N +ATOM 1851 HN ASN B 414 4.303 74.053 62.077 1.00 0.00 0.164 HD +ATOM 1852 CA ASN B 414 4.038 75.890 63.163 1.00 62.84 0.169 C +ATOM 1853 C ASN B 414 4.831 76.309 64.395 1.00 60.64 0.251 C +ATOM 1854 O ASN B 414 4.504 77.299 65.046 1.00 57.18 -0.271 OA +ATOM 1855 CB ASN B 414 2.614 76.438 63.258 1.00 67.26 0.119 C +ATOM 1856 CG ASN B 414 1.893 76.419 61.928 1.00 73.04 0.230 C +ATOM 1857 ND2 ASN B 414 1.123 75.364 61.692 1.00 73.40 -0.369 N +ATOM 1858 1HD2 ASN B 414 1.009 74.604 62.362 1.00 0.00 0.159 HD +ATOM 1859 2HD2 ASN B 414 0.637 75.351 60.795 1.00 0.00 0.159 HD +ATOM 1860 OD1 ASN B 414 2.031 77.338 61.118 1.00 76.92 -0.273 OA +ATOM 1861 N LYS B 415 5.875 75.551 64.711 1.00 59.71 -0.338 N +ATOM 1862 HN LYS B 415 6.090 74.734 64.139 1.00 0.00 0.164 HD +ATOM 1863 CA LYS B 415 6.718 75.862 65.856 1.00 59.77 0.159 C +ATOM 1864 C LYS B 415 7.915 76.696 65.413 1.00 58.43 0.251 C +ATOM 1865 O LYS B 415 8.851 76.186 64.792 1.00 58.59 -0.271 OA +ATOM 1866 CB LYS B 415 7.201 74.574 66.529 1.00 64.86 0.032 C +ATOM 1867 CG LYS B 415 6.091 73.781 67.207 1.00 71.55 0.004 C +ATOM 1868 CD LYS B 415 6.595 72.447 67.744 1.00 76.07 0.032 C +ATOM 1869 CE LYS B 415 5.465 71.656 68.389 1.00 78.31 0.206 C +ATOM 1870 NZ LYS B 415 5.894 70.292 68.808 1.00 78.93 -0.064 N +ATOM 1871 HZ1 LYS B 415 5.137 69.762 69.240 1.00 0.00 0.275 HD +ATOM 1872 HZ2 LYS B 415 6.709 70.335 69.420 1.00 0.00 0.275 HD +ATOM 1873 HZ3 LYS B 415 6.303 69.779 68.027 1.00 0.00 0.275 HD +ATOM 1874 N PHE B 416 7.871 77.985 65.723 1.00 53.98 -0.337 N +ATOM 1875 HN PHE B 416 7.059 78.352 66.220 1.00 0.00 0.164 HD +ATOM 1876 CA PHE B 416 8.957 78.886 65.369 1.00 52.76 0.164 C +ATOM 1877 C PHE B 416 9.841 79.144 66.576 1.00 51.11 0.251 C +ATOM 1878 O PHE B 416 9.355 79.300 67.693 1.00 52.83 -0.271 OA +ATOM 1879 CB PHE B 416 8.413 80.218 64.857 1.00 50.17 0.058 C +ATOM 1880 CG PHE B 416 7.721 80.121 63.534 1.00 54.39 -0.020 A +ATOM 1881 CD1 PHE B 416 6.405 79.681 63.452 1.00 54.94 -0.004 A +ATOM 1882 CD2 PHE B 416 8.385 80.478 62.366 1.00 54.34 -0.004 A +ATOM 1883 CE1 PHE B 416 5.759 79.601 62.221 1.00 56.03 -0.000 A +ATOM 1884 CE2 PHE B 416 7.751 80.401 61.132 1.00 55.73 -0.000 A +ATOM 1885 CZ PHE B 416 6.435 79.963 61.058 1.00 55.82 -0.000 A +ATOM 1886 N SER B 417 11.144 79.191 66.349 1.00 47.39 -0.336 N +ATOM 1887 HN SER B 417 11.497 79.052 65.402 1.00 0.00 0.164 HD +ATOM 1888 CA SER B 417 12.076 79.439 67.434 1.00 47.42 0.189 C +ATOM 1889 C SER B 417 13.384 79.974 66.874 1.00 47.40 0.253 C +ATOM 1890 O SER B 417 13.507 80.230 65.677 1.00 47.39 -0.270 OA +ATOM 1891 CB SER B 417 12.339 78.149 68.222 1.00 43.71 0.169 C +ATOM 1892 OG SER B 417 13.054 77.208 67.441 1.00 39.03 -0.380 OA +ATOM 1893 HG SER B 417 13.217 76.409 67.929 1.00 0.00 0.211 HD +ATOM 1894 N ILE B 418 14.361 80.136 67.753 1.00 47.40 -0.337 N +ATOM 1895 HN ILE B 418 14.194 79.905 68.732 1.00 0.00 0.164 HD +ATOM 1896 CA ILE B 418 15.661 80.633 67.355 1.00 48.26 0.159 C +ATOM 1897 C ILE B 418 16.301 79.617 66.401 1.00 45.79 0.251 C +ATOM 1898 O ILE B 418 17.032 79.987 65.479 1.00 44.19 -0.271 OA +ATOM 1899 CB ILE B 418 16.549 80.860 68.608 1.00 46.43 0.029 C +ATOM 1900 CG1 ILE B 418 17.400 82.114 68.417 1.00 48.11 0.002 C +ATOM 1901 CG2 ILE B 418 17.412 79.640 68.884 1.00 45.13 0.002 C +ATOM 1902 CD1 ILE B 418 18.308 82.069 67.227 1.00 48.96 0.000 C +ATOM 1903 N LYS B 419 16.007 78.336 66.615 1.00 46.30 -0.338 N +ATOM 1904 HN LYS B 419 15.385 78.088 67.385 1.00 0.00 0.164 HD +ATOM 1905 CA LYS B 419 16.556 77.279 65.771 1.00 44.64 0.159 C +ATOM 1906 C LYS B 419 15.925 77.267 64.379 1.00 44.82 0.251 C +ATOM 1907 O LYS B 419 16.535 76.788 63.421 1.00 47.43 -0.271 OA +ATOM 1908 CB LYS B 419 16.379 75.915 66.440 1.00 47.35 0.032 C +ATOM 1909 CG LYS B 419 17.202 75.736 67.709 1.00 49.72 0.004 C +ATOM 1910 CD LYS B 419 18.691 75.849 67.421 1.00 47.13 0.032 C +ATOM 1911 CE LYS B 419 19.519 75.550 68.656 1.00 45.98 0.206 C +ATOM 1912 NZ LYS B 419 20.958 75.832 68.401 1.00 49.71 -0.064 N +ATOM 1913 HZ1 LYS B 419 21.515 75.631 69.232 1.00 0.00 0.275 HD +ATOM 1914 HZ2 LYS B 419 21.104 76.785 68.068 1.00 0.00 0.275 HD +ATOM 1915 HZ3 LYS B 419 21.303 75.330 67.583 1.00 0.00 0.275 HD +ATOM 1916 N SER B 420 14.707 77.782 64.258 1.00 41.60 -0.336 N +ATOM 1917 HN SER B 420 14.217 78.140 65.078 1.00 0.00 0.164 HD +ATOM 1918 CA SER B 420 14.077 77.832 62.946 1.00 43.13 0.189 C +ATOM 1919 C SER B 420 14.754 78.976 62.193 1.00 41.45 0.254 C +ATOM 1920 O SER B 420 14.919 78.912 60.975 1.00 41.75 -0.270 OA +ATOM 1921 CB SER B 420 12.558 78.045 63.055 1.00 41.00 0.169 C +ATOM 1922 OG SER B 420 12.223 79.222 63.764 1.00 52.30 -0.380 OA +ATOM 1923 HG SER B 420 11.285 79.354 63.831 1.00 0.00 0.211 HD +ATOM 1924 N ASP B 421 15.164 80.016 62.921 1.00 39.77 -0.337 N +ATOM 1925 HN ASP B 421 14.981 80.036 63.924 1.00 0.00 0.164 HD +ATOM 1926 CA ASP B 421 15.873 81.126 62.292 1.00 37.44 0.170 C +ATOM 1927 C ASP B 421 17.214 80.577 61.810 1.00 37.08 0.251 C +ATOM 1928 O ASP B 421 17.734 80.999 60.778 1.00 36.38 -0.271 OA +ATOM 1929 CB ASP B 421 16.146 82.266 63.279 1.00 39.97 0.129 C +ATOM 1930 CG ASP B 421 14.912 83.085 63.597 1.00 46.97 0.188 C +ATOM 1931 OD1 ASP B 421 13.957 83.090 62.787 1.00 47.16 -0.647 OA +ATOM 1932 OD2 ASP B 421 14.912 83.746 64.661 1.00 50.54 -0.647 OA +ATOM 1933 N VAL B 422 17.775 79.637 62.567 1.00 33.02 -0.338 N +ATOM 1934 HN VAL B 422 17.304 79.332 63.419 1.00 0.00 0.164 HD +ATOM 1935 CA VAL B 422 19.054 79.035 62.198 1.00 36.44 0.159 C +ATOM 1936 C VAL B 422 18.945 78.272 60.875 1.00 38.23 0.251 C +ATOM 1937 O VAL B 422 19.888 78.250 60.083 1.00 40.47 -0.271 OA +ATOM 1938 CB VAL B 422 19.568 78.071 63.298 1.00 37.51 0.029 C +ATOM 1939 CG1 VAL B 422 20.818 77.337 62.812 1.00 36.35 0.002 C +ATOM 1940 CG2 VAL B 422 19.881 78.853 64.572 1.00 34.87 0.002 C +ATOM 1941 N TRP B 423 17.796 77.647 60.631 1.00 38.90 -0.337 N +ATOM 1942 HN TRP B 423 17.042 77.682 61.317 1.00 0.00 0.164 HD +ATOM 1943 CA TRP B 423 17.611 76.911 59.382 1.00 37.96 0.164 C +ATOM 1944 C TRP B 423 17.557 77.922 58.248 1.00 33.76 0.251 C +ATOM 1945 O TRP B 423 18.247 77.775 57.243 1.00 33.02 -0.271 OA +ATOM 1946 CB TRP B 423 16.317 76.088 59.415 1.00 36.76 0.060 C +ATOM 1947 CG TRP B 423 15.986 75.416 58.106 1.00 42.85 -0.001 A +ATOM 1948 CD1 TRP B 423 15.540 76.020 56.960 1.00 46.50 0.068 A +ATOM 1949 CD2 TRP B 423 16.056 74.012 57.816 1.00 38.45 0.013 A +ATOM 1950 CE2 TRP B 423 15.633 73.838 56.477 1.00 41.58 0.056 A +ATOM 1951 CE3 TRP B 423 16.433 72.884 58.557 1.00 41.07 0.001 A +ATOM 1952 NE1 TRP B 423 15.326 75.077 55.978 1.00 44.40 -0.352 N +ATOM 1953 HE1 TRP B 423 14.993 75.270 55.033 1.00 0.00 0.166 HD +ATOM 1954 CZ2 TRP B 423 15.577 72.580 55.863 1.00 40.24 0.017 A +ATOM 1955 CZ3 TRP B 423 16.380 71.626 57.943 1.00 40.67 0.000 A +ATOM 1956 CH2 TRP B 423 15.955 71.489 56.612 1.00 41.80 0.002 A +ATOM 1957 N ALA B 424 16.734 78.950 58.427 1.00 33.67 -0.338 N +ATOM 1958 HN ALA B 424 16.196 79.008 59.292 1.00 0.00 0.164 HD +ATOM 1959 CA ALA B 424 16.577 79.995 57.428 1.00 36.84 0.159 C +ATOM 1960 C ALA B 424 17.920 80.673 57.147 1.00 39.93 0.251 C +ATOM 1961 O ALA B 424 18.171 81.120 56.029 1.00 41.78 -0.271 OA +ATOM 1962 CB ALA B 424 15.538 81.024 57.904 1.00 35.37 0.034 C +ATOM 1963 N PHE B 425 18.785 80.743 58.157 1.00 41.75 -0.337 N +ATOM 1964 HN PHE B 425 18.528 80.362 59.068 1.00 0.00 0.164 HD +ATOM 1965 CA PHE B 425 20.099 81.359 57.977 1.00 43.51 0.164 C +ATOM 1966 C PHE B 425 20.921 80.510 57.013 1.00 44.33 0.251 C +ATOM 1967 O PHE B 425 21.627 81.034 56.150 1.00 44.00 -0.271 OA +ATOM 1968 CB PHE B 425 20.846 81.465 59.309 1.00 41.03 0.058 C +ATOM 1969 CG PHE B 425 22.227 82.054 59.179 1.00 40.39 -0.020 A +ATOM 1970 CD1 PHE B 425 22.396 83.408 58.902 1.00 41.59 -0.004 A +ATOM 1971 CD2 PHE B 425 23.355 81.250 59.297 1.00 36.50 -0.004 A +ATOM 1972 CE1 PHE B 425 23.675 83.954 58.742 1.00 40.99 -0.000 A +ATOM 1973 CE2 PHE B 425 24.636 81.785 59.139 1.00 42.92 -0.000 A +ATOM 1974 CZ PHE B 425 24.795 83.139 58.861 1.00 39.73 -0.000 A +ATOM 1975 N GLY B 426 20.833 79.192 57.177 1.00 45.81 -0.336 N +ATOM 1976 HN GLY B 426 20.249 78.814 57.923 1.00 0.00 0.164 HD +ATOM 1977 CA GLY B 426 21.560 78.288 56.304 1.00 40.63 0.189 C +ATOM 1978 C GLY B 426 21.194 78.540 54.852 1.00 40.02 0.253 C +ATOM 1979 O GLY B 426 22.050 78.486 53.969 1.00 40.34 -0.270 OA +ATOM 1980 N VAL B 427 19.918 78.812 54.598 1.00 34.79 -0.337 N +ATOM 1981 HN VAL B 427 19.245 78.830 55.364 1.00 0.00 0.164 HD +ATOM 1982 CA VAL B 427 19.468 79.084 53.242 1.00 37.36 0.159 C +ATOM 1983 C VAL B 427 20.017 80.443 52.823 1.00 38.06 0.251 C +ATOM 1984 O VAL B 427 20.434 80.625 51.681 1.00 39.05 -0.271 OA +ATOM 1985 CB VAL B 427 17.925 79.092 53.147 1.00 39.99 0.029 C +ATOM 1986 CG1 VAL B 427 17.485 79.341 51.708 1.00 37.02 0.002 C +ATOM 1987 CG2 VAL B 427 17.371 77.764 53.631 1.00 40.07 0.002 C +ATOM 1988 N LEU B 428 20.021 81.396 53.754 1.00 39.64 -0.338 N +ATOM 1989 HN LEU B 428 19.652 81.191 54.683 1.00 0.00 0.164 HD +ATOM 1990 CA LEU B 428 20.543 82.727 53.469 1.00 36.14 0.159 C +ATOM 1991 C LEU B 428 22.005 82.592 53.062 1.00 34.95 0.251 C +ATOM 1992 O LEU B 428 22.488 83.329 52.208 1.00 39.78 -0.271 OA +ATOM 1993 CB LEU B 428 20.410 83.634 54.698 1.00 38.86 0.032 C +ATOM 1994 CG LEU B 428 21.080 85.016 54.681 1.00 37.61 0.002 C +ATOM 1995 CD1 LEU B 428 20.808 85.753 53.380 1.00 37.71 0.000 C +ATOM 1996 CD2 LEU B 428 20.552 85.825 55.855 1.00 41.60 0.000 C +ATOM 1997 N LEU B 429 22.701 81.641 53.676 1.00 35.82 -0.338 N +ATOM 1998 HN LEU B 429 22.243 81.075 54.390 1.00 0.00 0.164 HD +ATOM 1999 CA LEU B 429 24.100 81.384 53.359 1.00 38.01 0.159 C +ATOM 2000 C LEU B 429 24.203 80.876 51.930 1.00 42.21 0.251 C +ATOM 2001 O LEU B 429 25.123 81.235 51.189 1.00 41.90 -0.271 OA +ATOM 2002 CB LEU B 429 24.682 80.326 54.294 1.00 38.19 0.032 C +ATOM 2003 CG LEU B 429 25.458 80.788 55.523 1.00 41.65 0.002 C +ATOM 2004 CD1 LEU B 429 26.068 79.571 56.206 1.00 43.36 0.000 C +ATOM 2005 CD2 LEU B 429 26.555 81.767 55.104 1.00 43.09 0.000 C +ATOM 2006 N TRP B 430 23.254 80.025 51.552 1.00 41.28 -0.337 N +ATOM 2007 HN TRP B 430 22.529 79.759 52.218 1.00 0.00 0.164 HD +ATOM 2008 CA TRP B 430 23.227 79.465 50.211 1.00 42.13 0.164 C +ATOM 2009 C TRP B 430 22.981 80.587 49.197 1.00 44.07 0.251 C +ATOM 2010 O TRP B 430 23.538 80.581 48.100 1.00 45.20 -0.271 OA +ATOM 2011 CB TRP B 430 22.125 78.418 50.111 1.00 43.08 0.060 C +ATOM 2012 CG TRP B 430 22.156 77.657 48.835 1.00 49.45 -0.001 A +ATOM 2013 CD1 TRP B 430 22.866 76.520 48.570 1.00 47.92 0.068 A +ATOM 2014 CD2 TRP B 430 21.468 77.992 47.628 1.00 49.72 0.013 A +ATOM 2015 CE2 TRP B 430 21.807 77.013 46.669 1.00 50.02 0.056 A +ATOM 2016 CE3 TRP B 430 20.597 79.028 47.261 1.00 49.58 0.001 A +ATOM 2017 NE1 TRP B 430 22.662 76.127 47.271 1.00 48.22 -0.352 N +ATOM 2018 HE1 TRP B 430 23.079 75.309 46.826 1.00 0.00 0.166 HD +ATOM 2019 CZ2 TRP B 430 21.304 77.037 45.365 1.00 48.11 0.017 A +ATOM 2020 CZ3 TRP B 430 20.098 79.052 45.966 1.00 52.83 0.000 A +ATOM 2021 CH2 TRP B 430 20.455 78.060 45.033 1.00 49.33 0.002 A +ATOM 2022 N GLU B 431 22.147 81.551 49.575 1.00 43.13 -0.338 N +ATOM 2023 HN GLU B 431 21.709 81.497 50.495 1.00 0.00 0.164 HD +ATOM 2024 CA GLU B 431 21.842 82.683 48.708 1.00 46.13 0.160 C +ATOM 2025 C GLU B 431 23.085 83.529 48.457 1.00 47.35 0.251 C +ATOM 2026 O GLU B 431 23.356 83.929 47.326 1.00 52.17 -0.271 OA +ATOM 2027 CB GLU B 431 20.781 83.587 49.334 1.00 42.28 0.043 C +ATOM 2028 CG GLU B 431 19.443 82.951 49.615 1.00 42.51 0.100 C +ATOM 2029 CD GLU B 431 18.411 83.993 50.017 1.00 43.26 0.185 C +ATOM 2030 OE1 GLU B 431 18.001 84.785 49.142 1.00 42.72 -0.647 OA +ATOM 2031 OE2 GLU B 431 18.023 84.037 51.207 1.00 40.21 -0.647 OA +ATOM 2032 N ILE B 432 23.825 83.819 49.522 1.00 45.89 -0.338 N +ATOM 2033 HN ILE B 432 23.542 83.468 50.437 1.00 0.00 0.164 HD +ATOM 2034 CA ILE B 432 25.032 84.627 49.412 1.00 43.12 0.159 C +ATOM 2035 C ILE B 432 26.083 83.903 48.574 1.00 45.83 0.251 C +ATOM 2036 O ILE B 432 26.733 84.504 47.716 1.00 46.60 -0.271 OA +ATOM 2037 CB ILE B 432 25.605 84.956 50.815 1.00 42.29 0.029 C +ATOM 2038 CG1 ILE B 432 24.607 85.839 51.581 1.00 41.69 0.002 C +ATOM 2039 CG2 ILE B 432 26.968 85.648 50.686 1.00 37.88 0.002 C +ATOM 2040 CD1 ILE B 432 25.041 86.197 53.007 1.00 38.55 0.000 C +ATOM 2041 N ALA B 433 26.237 82.607 48.819 1.00 47.49 -0.338 N +ATOM 2042 HN ALA B 433 25.667 82.165 49.540 1.00 0.00 0.164 HD +ATOM 2043 CA ALA B 433 27.200 81.802 48.083 1.00 46.38 0.159 C +ATOM 2044 C ALA B 433 26.891 81.796 46.591 1.00 46.90 0.251 C +ATOM 2045 O ALA B 433 27.804 81.747 45.769 1.00 47.19 -0.271 OA +ATOM 2046 CB ALA B 433 27.202 80.371 48.615 1.00 45.44 0.034 C +ATOM 2047 N THR B 434 25.607 81.863 46.243 1.00 43.96 -0.336 N +ATOM 2048 HN THR B 434 24.894 81.937 46.969 1.00 0.00 0.164 HD +ATOM 2049 CA THR B 434 25.201 81.833 44.839 1.00 43.74 0.186 C +ATOM 2050 C THR B 434 24.974 83.204 44.218 1.00 44.33 0.253 C +ATOM 2051 O THR B 434 24.612 83.302 43.046 1.00 44.15 -0.270 OA +ATOM 2052 CB THR B 434 23.901 81.020 44.649 1.00 46.56 0.140 C +ATOM 2053 CG2 THR B 434 24.048 79.624 45.241 1.00 42.53 0.034 C +ATOM 2054 OG1 THR B 434 22.815 81.699 45.294 1.00 44.62 -0.382 OA +ATOM 2055 HG1 THR B 434 22.723 82.570 44.925 1.00 0.00 0.210 HD +ATOM 2056 N TYR B 435 25.179 84.259 45.000 1.00 42.75 -0.337 N +ATOM 2057 HN TYR B 435 25.487 84.113 45.961 1.00 0.00 0.164 HD +ATOM 2058 CA TYR B 435 24.975 85.618 44.518 1.00 41.36 0.164 C +ATOM 2059 C TYR B 435 23.514 85.931 44.217 1.00 41.88 0.251 C +ATOM 2060 O TYR B 435 23.209 86.592 43.224 1.00 42.26 -0.271 OA +ATOM 2061 CB TYR B 435 25.827 85.881 43.270 1.00 41.53 0.058 C +ATOM 2062 CG TYR B 435 27.297 86.077 43.569 1.00 40.59 -0.020 A +ATOM 2063 CD1 TYR B 435 27.784 87.313 44.010 1.00 39.66 -0.002 A +ATOM 2064 CD2 TYR B 435 28.195 85.023 43.442 1.00 39.60 -0.002 A +ATOM 2065 CE1 TYR B 435 29.132 87.489 44.315 1.00 35.84 0.024 A +ATOM 2066 CE2 TYR B 435 29.546 85.184 43.751 1.00 40.26 0.024 A +ATOM 2067 CZ TYR B 435 30.005 86.418 44.188 1.00 39.80 0.089 A +ATOM 2068 OH TYR B 435 31.328 86.569 44.523 1.00 41.31 -0.359 OA +ATOM 2069 HH TYR B 435 31.926 85.836 44.436 1.00 0.00 0.217 HD +ATOM 2070 N GLY B 436 22.609 85.444 45.062 1.00 42.17 -0.336 N +ATOM 2071 HN GLY B 436 22.904 84.860 45.844 1.00 0.00 0.164 HD +ATOM 2072 CA GLY B 436 21.198 85.745 44.870 1.00 40.66 0.189 C +ATOM 2073 C GLY B 436 20.298 84.772 44.127 1.00 43.38 0.253 C +ATOM 2074 O GLY B 436 19.208 85.157 43.697 1.00 43.79 -0.270 OA +ATOM 2075 N MET B 437 20.722 83.524 43.965 1.00 42.83 -0.337 N +ATOM 2076 HN MET B 437 21.635 83.246 44.325 1.00 0.00 0.164 HD +ATOM 2077 CA MET B 437 19.885 82.549 43.273 1.00 49.56 0.160 C +ATOM 2078 C MET B 437 18.720 82.117 44.150 1.00 50.64 0.251 C +ATOM 2079 O MET B 437 18.804 82.156 45.373 1.00 51.38 -0.271 OA +ATOM 2080 CB MET B 437 20.692 81.308 42.884 1.00 54.72 0.043 C +ATOM 2081 CG MET B 437 21.568 81.470 41.655 1.00 61.08 0.060 C +ATOM 2082 SD MET B 437 22.231 79.874 41.117 1.00 72.83 -0.139 SA +ATOM 2083 CE MET B 437 20.785 79.169 40.303 1.00 70.56 0.069 C +ATOM 2084 N SER B 438 17.631 81.702 43.518 1.00 53.01 -0.336 N +ATOM 2085 HN SER B 438 17.613 81.706 42.498 1.00 0.00 0.164 HD +ATOM 2086 CA SER B 438 16.461 81.241 44.249 1.00 54.54 0.189 C +ATOM 2087 C SER B 438 16.759 79.850 44.800 1.00 54.75 0.257 C +ATOM 2088 O SER B 438 17.398 79.038 44.131 1.00 57.07 -0.270 OA +ATOM 2089 CB SER B 438 15.257 81.183 43.315 1.00 57.64 0.169 C +ATOM 2090 OG SER B 438 15.042 82.442 42.709 1.00 62.90 -0.380 OA +ATOM 2091 HG SER B 438 14.292 82.406 42.127 1.00 0.00 0.211 HD +ATOM 2092 N PRO B 439 16.310 79.560 46.033 1.00 53.51 -0.312 N +ATOM 2093 CA PRO B 439 16.521 78.265 46.692 1.00 50.55 0.163 C +ATOM 2094 C PRO B 439 15.781 77.130 45.980 1.00 51.54 0.251 C +ATOM 2095 O PRO B 439 14.718 77.347 45.399 1.00 49.77 -0.271 OA +ATOM 2096 CB PRO B 439 15.971 78.498 48.096 1.00 53.99 0.034 C +ATOM 2097 CG PRO B 439 16.103 79.972 48.288 1.00 56.68 0.027 C +ATOM 2098 CD PRO B 439 15.669 80.508 46.956 1.00 53.67 0.105 C +ATOM 2099 N TYR B 440 16.337 75.923 46.048 1.00 50.39 -0.337 N +ATOM 2100 HN TYR B 440 17.208 75.810 46.567 1.00 0.00 0.164 HD +ATOM 2101 CA TYR B 440 15.742 74.752 45.404 1.00 52.12 0.164 C +ATOM 2102 C TYR B 440 15.229 75.127 44.016 1.00 50.82 0.254 C +ATOM 2103 O TYR B 440 14.044 74.994 43.720 1.00 52.03 -0.270 OA +ATOM 2104 CB TYR B 440 14.592 74.200 46.252 1.00 52.34 0.058 C +ATOM 2105 CG TYR B 440 14.980 73.904 47.682 1.00 51.44 -0.020 A +ATOM 2106 CD1 TYR B 440 14.850 74.874 48.676 1.00 49.67 -0.002 A +ATOM 2107 CD2 TYR B 440 15.516 72.666 48.035 1.00 53.25 -0.002 A +ATOM 2108 CE1 TYR B 440 15.247 74.618 49.989 1.00 49.90 0.024 A +ATOM 2109 CE2 TYR B 440 15.917 72.399 49.342 1.00 51.16 0.024 A +ATOM 2110 CZ TYR B 440 15.780 73.381 50.314 1.00 50.26 0.089 A +ATOM 2111 OH TYR B 440 16.180 73.125 51.605 1.00 48.52 -0.359 OA +ATOM 2112 HH TYR B 440 16.086 73.797 52.270 1.00 0.00 0.217 HD +ATOM 2113 N PRO B 441 16.128 75.607 43.147 1.00 50.72 -0.312 N +ATOM 2114 CA PRO B 441 15.750 76.005 41.791 1.00 50.56 0.163 C +ATOM 2115 C PRO B 441 15.180 74.865 40.953 1.00 51.83 0.251 C +ATOM 2116 O PRO B 441 15.832 73.836 40.748 1.00 51.92 -0.271 OA +ATOM 2117 CB PRO B 441 17.054 76.567 41.225 1.00 51.16 0.034 C +ATOM 2118 CG PRO B 441 18.102 75.764 41.935 1.00 50.37 0.027 C +ATOM 2119 CD PRO B 441 17.586 75.716 43.346 1.00 48.25 0.105 C +ATOM 2120 N GLY B 442 13.952 75.057 40.483 1.00 50.46 -0.336 N +ATOM 2121 HN GLY B 442 13.460 75.923 40.702 1.00 0.00 0.164 HD +ATOM 2122 CA GLY B 442 13.300 74.055 39.664 1.00 50.72 0.189 C +ATOM 2123 C GLY B 442 12.395 73.127 40.446 1.00 50.92 0.253 C +ATOM 2124 O GLY B 442 11.463 72.550 39.887 1.00 49.75 -0.270 OA +ATOM 2125 N ILE B 443 12.661 72.980 41.739 1.00 51.89 -0.337 N +ATOM 2126 HN ILE B 443 13.443 73.489 42.152 1.00 0.00 0.164 HD +ATOM 2127 CA ILE B 443 11.852 72.102 42.577 1.00 51.76 0.159 C +ATOM 2128 C ILE B 443 10.549 72.776 42.979 1.00 54.37 0.251 C +ATOM 2129 O ILE B 443 10.544 73.918 43.439 1.00 56.52 -0.271 OA +ATOM 2130 CB ILE B 443 12.611 71.694 43.842 1.00 48.10 0.029 C +ATOM 2131 CG1 ILE B 443 13.966 71.104 43.455 1.00 47.84 0.002 C +ATOM 2132 CG2 ILE B 443 11.791 70.687 44.632 1.00 47.19 0.002 C +ATOM 2133 CD1 ILE B 443 14.825 70.713 44.632 1.00 50.74 0.000 C +ATOM 2134 N ASP B 444 9.445 72.059 42.816 1.00 59.51 -0.337 N +ATOM 2135 HN ASP B 444 9.514 71.109 42.450 1.00 0.00 0.164 HD +ATOM 2136 CA ASP B 444 8.138 72.602 43.149 1.00 63.91 0.170 C +ATOM 2137 C ASP B 444 7.838 72.575 44.648 1.00 63.76 0.251 C +ATOM 2138 O ASP B 444 8.008 71.556 45.319 1.00 61.45 -0.271 OA +ATOM 2139 CB ASP B 444 7.053 71.858 42.362 1.00 73.09 0.129 C +ATOM 2140 CG ASP B 444 7.310 71.878 40.857 1.00 81.69 0.188 C +ATOM 2141 OD1 ASP B 444 7.885 72.874 40.363 1.00 84.47 -0.647 OA +ATOM 2142 OD2 ASP B 444 6.928 70.907 40.167 1.00 86.76 -0.647 OA +ATOM 2143 N LEU B 445 7.388 73.719 45.155 1.00 61.63 -0.338 N +ATOM 2144 HN LEU B 445 7.261 74.510 44.523 1.00 0.00 0.164 HD +ATOM 2145 CA LEU B 445 7.066 73.904 46.565 1.00 63.08 0.159 C +ATOM 2146 C LEU B 445 6.351 72.732 47.235 1.00 61.27 0.251 C +ATOM 2147 O LEU B 445 6.596 72.436 48.405 1.00 62.08 -0.271 OA +ATOM 2148 CB LEU B 445 6.226 75.172 46.733 1.00 61.68 0.032 C +ATOM 2149 CG LEU B 445 6.836 76.465 46.185 1.00 64.84 0.002 C +ATOM 2150 CD1 LEU B 445 5.871 77.615 46.420 1.00 66.55 0.000 C +ATOM 2151 CD2 LEU B 445 8.166 76.746 46.860 1.00 63.83 0.000 C +ATOM 2152 N SER B 446 5.474 72.064 46.498 1.00 60.76 -0.336 N +ATOM 2153 HN SER B 446 5.323 72.340 45.528 1.00 0.00 0.164 HD +ATOM 2154 CA SER B 446 4.720 70.941 47.048 1.00 59.35 0.189 C +ATOM 2155 C SER B 446 5.580 69.737 47.437 1.00 57.35 0.253 C +ATOM 2156 O SER B 446 5.134 68.873 48.189 1.00 57.70 -0.270 OA +ATOM 2157 CB SER B 446 3.655 70.492 46.046 1.00 58.49 0.169 C +ATOM 2158 OG SER B 446 4.253 70.048 44.839 1.00 59.86 -0.380 OA +ATOM 2159 HG SER B 446 3.592 69.769 44.217 1.00 0.00 0.211 HD +ATOM 2160 N GLN B 447 6.807 69.680 46.929 1.00 54.81 -0.337 N +ATOM 2161 HN GLN B 447 7.132 70.434 46.324 1.00 0.00 0.164 HD +ATOM 2162 CA GLN B 447 7.703 68.559 47.219 1.00 55.48 0.160 C +ATOM 2163 C GLN B 447 8.768 68.867 48.271 1.00 54.12 0.251 C +ATOM 2164 O GLN B 447 9.441 67.963 48.770 1.00 52.37 -0.271 OA +ATOM 2165 CB GLN B 447 8.393 68.107 45.928 1.00 53.95 0.042 C +ATOM 2166 CG GLN B 447 7.429 67.689 44.837 1.00 55.14 0.090 C +ATOM 2167 CD GLN B 447 6.638 66.459 45.218 1.00 53.26 0.227 C +ATOM 2168 NE2 GLN B 447 5.342 66.634 45.445 1.00 52.00 -0.369 N +ATOM 2169 1HE2 GLN B 447 4.886 67.543 45.364 1.00 0.00 0.159 HD +ATOM 2170 2HE2 GLN B 447 4.808 65.804 45.702 1.00 0.00 0.159 HD +ATOM 2171 OE1 GLN B 447 7.187 65.364 45.316 1.00 57.08 -0.273 OA +ATOM 2172 N VAL B 448 8.915 70.143 48.606 1.00 55.02 -0.338 N +ATOM 2173 HN VAL B 448 8.310 70.841 48.173 1.00 0.00 0.164 HD +ATOM 2174 CA VAL B 448 9.916 70.576 49.575 1.00 51.09 0.159 C +ATOM 2175 C VAL B 448 9.948 69.794 50.888 1.00 50.08 0.251 C +ATOM 2176 O VAL B 448 10.990 69.251 51.262 1.00 48.91 -0.271 OA +ATOM 2177 CB VAL B 448 9.751 72.074 49.888 1.00 51.50 0.029 C +ATOM 2178 CG1 VAL B 448 10.746 72.501 50.951 1.00 50.05 0.002 C +ATOM 2179 CG2 VAL B 448 9.951 72.885 48.613 1.00 49.00 0.002 C +ATOM 2180 N TYR B 449 8.823 69.728 51.591 1.00 49.33 -0.337 N +ATOM 2181 HN TYR B 449 7.975 70.174 51.242 1.00 0.00 0.164 HD +ATOM 2182 CA TYR B 449 8.805 69.016 52.864 1.00 50.76 0.164 C +ATOM 2183 C TYR B 449 9.240 67.560 52.751 1.00 50.84 0.251 C +ATOM 2184 O TYR B 449 10.174 67.135 53.430 1.00 49.36 -0.271 OA +ATOM 2185 CB TYR B 449 7.419 69.061 53.516 1.00 48.45 0.058 C +ATOM 2186 CG TYR B 449 7.443 68.536 54.938 1.00 46.80 -0.020 A +ATOM 2187 CD1 TYR B 449 7.856 69.350 55.993 1.00 43.28 -0.002 A +ATOM 2188 CD2 TYR B 449 7.117 67.207 55.221 1.00 44.43 -0.002 A +ATOM 2189 CE1 TYR B 449 7.948 68.857 57.294 1.00 46.67 0.024 A +ATOM 2190 CE2 TYR B 449 7.209 66.702 56.520 1.00 44.35 0.024 A +ATOM 2191 CZ TYR B 449 7.626 67.533 57.550 1.00 48.41 0.089 A +ATOM 2192 OH TYR B 449 7.740 67.039 58.831 1.00 47.72 -0.359 OA +ATOM 2193 HH TYR B 449 8.025 67.608 59.536 1.00 0.00 0.217 HD +ATOM 2194 N GLU B 450 8.559 66.796 51.899 1.00 52.40 -0.338 N +ATOM 2195 HN GLU B 450 7.801 67.207 51.354 1.00 0.00 0.164 HD +ATOM 2196 CA GLU B 450 8.876 65.380 51.730 1.00 50.03 0.160 C +ATOM 2197 C GLU B 450 10.320 65.148 51.315 1.00 48.46 0.251 C +ATOM 2198 O GLU B 450 10.973 64.232 51.812 1.00 51.56 -0.271 OA +ATOM 2199 CB GLU B 450 7.931 64.738 50.710 1.00 55.87 0.043 C +ATOM 2200 CG GLU B 450 8.166 63.250 50.515 1.00 57.71 0.100 C +ATOM 2201 CD GLU B 450 7.112 62.603 49.646 1.00 61.16 0.185 C +ATOM 2202 OE1 GLU B 450 6.783 63.175 48.584 1.00 64.81 -0.647 OA +ATOM 2203 OE2 GLU B 450 6.617 61.520 50.021 1.00 63.15 -0.647 OA +ATOM 2204 N LEU B 451 10.823 65.970 50.402 1.00 46.85 -0.338 N +ATOM 2205 HN LEU B 451 10.239 66.704 50.002 1.00 0.00 0.164 HD +ATOM 2206 CA LEU B 451 12.207 65.827 49.970 1.00 44.16 0.159 C +ATOM 2207 C LEU B 451 13.117 66.004 51.182 1.00 45.64 0.251 C +ATOM 2208 O LEU B 451 14.005 65.188 51.428 1.00 45.62 -0.271 OA +ATOM 2209 CB LEU B 451 12.546 66.870 48.905 1.00 43.01 0.032 C +ATOM 2210 CG LEU B 451 11.963 66.656 47.508 1.00 43.47 0.002 C +ATOM 2211 CD1 LEU B 451 12.209 67.888 46.656 1.00 44.92 0.000 C +ATOM 2212 CD2 LEU B 451 12.608 65.432 46.864 1.00 46.65 0.000 C +ATOM 2213 N LEU B 452 12.886 67.071 51.944 1.00 46.52 -0.338 N +ATOM 2214 HN LEU B 452 12.137 67.715 51.690 1.00 0.00 0.164 HD +ATOM 2215 CA LEU B 452 13.685 67.337 53.136 1.00 47.63 0.159 C +ATOM 2216 C LEU B 452 13.528 66.193 54.140 1.00 49.06 0.251 C +ATOM 2217 O LEU B 452 14.483 65.811 54.818 1.00 47.18 -0.271 OA +ATOM 2218 CB LEU B 452 13.256 68.659 53.784 1.00 47.13 0.032 C +ATOM 2219 CG LEU B 452 13.564 69.953 53.021 1.00 45.08 0.002 C +ATOM 2220 CD1 LEU B 452 13.007 71.139 53.788 1.00 43.06 0.000 C +ATOM 2221 CD2 LEU B 452 15.065 70.096 52.831 1.00 43.74 0.000 C +ATOM 2222 N GLU B 453 12.316 65.651 54.224 1.00 51.09 -0.338 N +ATOM 2223 HN GLU B 453 11.569 66.015 53.632 1.00 0.00 0.164 HD +ATOM 2224 CA GLU B 453 12.022 64.552 55.136 1.00 53.61 0.160 C +ATOM 2225 C GLU B 453 12.854 63.326 54.775 1.00 52.75 0.251 C +ATOM 2226 O GLU B 453 13.283 62.580 55.652 1.00 52.83 -0.271 OA +ATOM 2227 CB GLU B 453 10.530 64.210 55.077 1.00 58.18 0.043 C +ATOM 2228 CG GLU B 453 10.101 63.090 56.013 1.00 64.73 0.100 C +ATOM 2229 CD GLU B 453 8.587 62.945 56.098 1.00 69.01 0.185 C +ATOM 2230 OE1 GLU B 453 7.947 62.691 55.053 1.00 65.85 -0.647 OA +ATOM 2231 OE2 GLU B 453 8.041 63.089 57.215 1.00 69.82 -0.647 OA +ATOM 2232 N LYS B 454 13.082 63.126 53.481 1.00 52.62 -0.338 N +ATOM 2233 HN LYS B 454 12.693 63.778 52.800 1.00 0.00 0.164 HD +ATOM 2234 CA LYS B 454 13.875 61.996 53.012 1.00 51.51 0.159 C +ATOM 2235 C LYS B 454 15.343 62.393 52.814 1.00 50.97 0.251 C +ATOM 2236 O LYS B 454 16.053 61.842 51.968 1.00 50.09 -0.271 OA +ATOM 2237 CB LYS B 454 13.283 61.437 51.714 1.00 51.70 0.032 C +ATOM 2238 CG LYS B 454 11.899 60.816 51.898 1.00 51.40 0.004 C +ATOM 2239 CD LYS B 454 11.296 60.410 50.567 1.00 48.77 0.032 C +ATOM 2240 CE LYS B 454 9.824 60.065 50.706 1.00 49.44 0.206 C +ATOM 2241 NZ LYS B 454 9.592 58.918 51.617 1.00 46.72 -0.064 N +ATOM 2242 HZ1 LYS B 454 8.603 58.686 51.710 1.00 0.00 0.275 HD +ATOM 2243 HZ2 LYS B 454 10.018 59.082 52.529 1.00 0.00 0.275 HD +ATOM 2244 HZ3 LYS B 454 10.134 58.104 51.327 1.00 0.00 0.275 HD +ATOM 2245 N ASP B 455 15.778 63.362 53.612 1.00 49.06 -0.337 N +ATOM 2246 HN ASP B 455 15.116 63.786 54.263 1.00 0.00 0.164 HD +ATOM 2247 CA ASP B 455 17.151 63.852 53.607 1.00 45.55 0.170 C +ATOM 2248 C ASP B 455 17.678 64.595 52.391 1.00 45.48 0.252 C +ATOM 2249 O ASP B 455 18.889 64.640 52.186 1.00 45.98 -0.271 OA +ATOM 2250 CB ASP B 455 18.119 62.715 53.934 1.00 48.09 0.129 C +ATOM 2251 CG ASP B 455 17.925 62.173 55.334 1.00 54.91 0.188 C +ATOM 2252 OD1 ASP B 455 17.612 62.973 56.243 1.00 59.31 -0.647 OA +ATOM 2253 OD2 ASP B 455 18.097 60.951 55.532 1.00 57.71 -0.647 OA +ATOM 2254 N TYR B 456 16.805 65.175 51.576 1.00 43.02 -0.337 N +ATOM 2255 HN TYR B 456 15.802 65.093 51.743 1.00 0.00 0.164 HD +ATOM 2256 CA TYR B 456 17.310 65.931 50.437 1.00 44.87 0.164 C +ATOM 2257 C TYR B 456 17.773 67.294 50.950 1.00 42.99 0.251 C +ATOM 2258 O TYR B 456 17.097 67.913 51.774 1.00 41.44 -0.271 OA +ATOM 2259 CB TYR B 456 16.229 66.150 49.377 1.00 45.59 0.058 C +ATOM 2260 CG TYR B 456 16.747 66.913 48.175 1.00 47.10 -0.020 A +ATOM 2261 CD1 TYR B 456 17.454 66.262 47.163 1.00 46.32 -0.002 A +ATOM 2262 CD2 TYR B 456 16.578 68.295 48.074 1.00 46.82 -0.002 A +ATOM 2263 CE1 TYR B 456 17.980 66.965 46.082 1.00 48.04 0.024 A +ATOM 2264 CE2 TYR B 456 17.101 69.008 47.002 1.00 48.78 0.024 A +ATOM 2265 CZ TYR B 456 17.802 68.339 46.007 1.00 51.72 0.089 A +ATOM 2266 OH TYR B 456 18.334 69.044 44.941 1.00 50.92 -0.359 OA +ATOM 2267 HH TYR B 456 18.212 69.985 44.890 1.00 0.00 0.217 HD +ATOM 2268 N ARG B 457 18.922 67.756 50.470 1.00 44.74 -0.338 N +ATOM 2269 HN ARG B 457 19.447 67.189 49.805 1.00 0.00 0.164 HD +ATOM 2270 CA ARG B 457 19.452 69.059 50.873 1.00 48.44 0.159 C +ATOM 2271 C ARG B 457 20.146 69.700 49.677 1.00 49.91 0.251 C +ATOM 2272 O ARG B 457 20.821 69.013 48.911 1.00 48.57 -0.271 OA +ATOM 2273 CB ARG B 457 20.459 68.908 52.024 1.00 47.10 0.034 C +ATOM 2274 CG ARG B 457 19.874 68.392 53.340 1.00 47.75 0.027 C +ATOM 2275 CD ARG B 457 18.959 69.418 53.998 1.00 43.45 0.116 C +ATOM 2276 NE ARG B 457 18.473 68.964 55.300 1.00 43.61 -0.212 N +ATOM 2277 HE ARG B 457 18.851 69.420 56.130 1.00 0.00 0.178 HD +ATOM 2278 CZ ARG B 457 17.574 68.000 55.482 1.00 44.65 0.666 C +ATOM 2279 NH1 ARG B 457 17.042 67.371 54.441 1.00 42.47 -0.235 N +ATOM 2280 1HH1 ARG B 457 17.325 67.629 53.496 1.00 0.00 0.174 HD +ATOM 2281 2HH1 ARG B 457 16.353 66.632 54.581 1.00 0.00 0.174 HD +ATOM 2282 NH2 ARG B 457 17.206 67.664 56.712 1.00 39.59 -0.235 N +ATOM 2283 1HH2 ARG B 457 17.615 68.147 57.512 1.00 0.00 0.174 HD +ATOM 2284 2HH2 ARG B 457 16.517 66.925 56.852 1.00 0.00 0.174 HD +ATOM 2285 N MET B 458 19.984 71.012 49.515 1.00 52.55 -0.337 N +ATOM 2286 HN MET B 458 19.409 71.535 50.175 1.00 0.00 0.164 HD +ATOM 2287 CA MET B 458 20.621 71.709 48.402 1.00 52.62 0.160 C +ATOM 2288 C MET B 458 22.101 71.376 48.363 1.00 53.40 0.251 C +ATOM 2289 O MET B 458 22.749 71.239 49.403 1.00 51.42 -0.271 OA +ATOM 2290 CB MET B 458 20.447 73.222 48.521 1.00 54.31 0.043 C +ATOM 2291 CG MET B 458 19.024 73.706 48.310 1.00 57.78 0.060 C +ATOM 2292 SD MET B 458 18.940 75.500 48.150 1.00 56.57 -0.139 SA +ATOM 2293 CE MET B 458 18.845 76.000 49.890 1.00 52.75 0.069 C +ATOM 2294 N GLU B 459 22.629 71.249 47.152 1.00 55.65 -0.338 N +ATOM 2295 HN GLU B 459 22.031 71.390 46.338 1.00 0.00 0.164 HD +ATOM 2296 CA GLU B 459 24.031 70.916 46.945 1.00 60.44 0.160 C +ATOM 2297 C GLU B 459 24.965 72.116 47.117 1.00 59.59 0.251 C +ATOM 2298 O GLU B 459 24.542 73.270 47.029 1.00 59.19 -0.271 OA +ATOM 2299 CB GLU B 459 24.199 70.313 45.550 1.00 63.06 0.043 C +ATOM 2300 CG GLU B 459 23.673 71.202 44.443 1.00 68.77 0.100 C +ATOM 2301 CD GLU B 459 23.502 70.462 43.135 1.00 74.42 0.185 C +ATOM 2302 OE1 GLU B 459 24.476 69.824 42.680 1.00 74.07 -0.647 OA +ATOM 2303 OE2 GLU B 459 22.391 70.522 42.562 1.00 77.45 -0.647 OA +ATOM 2304 N ARG B 460 26.239 71.832 47.363 1.00 58.53 -0.338 N +ATOM 2305 HN ARG B 460 26.527 70.856 47.428 1.00 0.00 0.164 HD +ATOM 2306 CA ARG B 460 27.236 72.879 47.543 1.00 60.76 0.160 C +ATOM 2307 C ARG B 460 27.376 73.732 46.284 1.00 61.64 0.254 C +ATOM 2308 O ARG B 460 27.797 73.243 45.234 1.00 60.26 -0.270 OA +ATOM 2309 CB ARG B 460 28.587 72.257 47.900 1.00 61.01 0.034 C +ATOM 2310 CG ARG B 460 29.688 73.270 48.165 1.00 66.21 0.027 C +ATOM 2311 CD ARG B 460 30.880 72.626 48.864 1.00 67.22 0.116 C +ATOM 2312 NE ARG B 460 31.666 71.778 47.975 1.00 70.59 -0.212 N +ATOM 2313 HE ARG B 460 31.615 70.768 48.109 1.00 0.00 0.178 HD +ATOM 2314 CZ ARG B 460 32.444 72.239 47.002 1.00 70.04 0.666 C +ATOM 2315 NH1 ARG B 460 32.544 73.543 46.791 1.00 71.64 -0.235 N +ATOM 2316 1HH1 ARG B 460 33.141 73.897 46.044 1.00 0.00 0.174 HD +ATOM 2317 2HH1 ARG B 460 32.021 74.193 47.378 1.00 0.00 0.174 HD +ATOM 2318 NH2 ARG B 460 33.123 71.395 46.239 1.00 73.02 -0.235 N +ATOM 2319 1HH2 ARG B 460 33.720 71.749 45.492 1.00 0.00 0.174 HD +ATOM 2320 2HH2 ARG B 460 33.046 70.391 46.401 1.00 0.00 0.174 HD +ATOM 2321 N PRO B 461 27.015 75.023 46.373 1.00 62.36 -0.312 N +ATOM 2322 CA PRO B 461 27.112 75.930 45.226 1.00 62.62 0.163 C +ATOM 2323 C PRO B 461 28.536 75.995 44.683 1.00 64.00 0.251 C +ATOM 2324 O PRO B 461 29.503 75.825 45.425 1.00 61.66 -0.271 OA +ATOM 2325 CB PRO B 461 26.658 77.267 45.804 1.00 62.56 0.034 C +ATOM 2326 CG PRO B 461 25.681 76.858 46.859 1.00 60.45 0.027 C +ATOM 2327 CD PRO B 461 26.394 75.705 47.523 1.00 61.10 0.105 C +ATOM 2328 N GLU B 462 28.656 76.240 43.384 1.00 66.71 -0.338 N +ATOM 2329 HN GLU B 462 27.814 76.369 42.823 1.00 0.00 0.164 HD +ATOM 2330 CA GLU B 462 29.959 76.329 42.740 1.00 70.91 0.160 C +ATOM 2331 C GLU B 462 30.786 77.441 43.382 1.00 68.63 0.251 C +ATOM 2332 O GLU B 462 30.293 78.548 43.600 1.00 67.85 -0.271 OA +ATOM 2333 CB GLU B 462 29.781 76.606 41.243 1.00 73.76 0.043 C +ATOM 2334 CG GLU B 462 31.054 76.487 40.418 1.00 83.52 0.100 C +ATOM 2335 CD GLU B 462 31.594 75.065 40.362 1.00 88.99 0.185 C +ATOM 2336 OE1 GLU B 462 30.947 74.149 40.917 1.00 90.90 -0.647 OA +ATOM 2337 OE2 GLU B 462 32.669 74.861 39.757 1.00 91.99 -0.647 OA +ATOM 2338 N GLY B 463 32.039 77.133 43.702 1.00 68.97 -0.336 N +ATOM 2339 HN GLY B 463 32.388 76.192 43.521 1.00 0.00 0.164 HD +ATOM 2340 CA GLY B 463 32.917 78.120 44.307 1.00 68.10 0.189 C +ATOM 2341 C GLY B 463 32.741 78.341 45.799 1.00 67.27 0.253 C +ATOM 2342 O GLY B 463 33.477 79.124 46.401 1.00 67.64 -0.270 OA +ATOM 2343 N CYS B 464 31.771 77.663 46.403 1.00 67.65 -0.337 N +ATOM 2344 HN CYS B 464 31.185 77.032 45.856 1.00 0.00 0.164 HD +ATOM 2345 CA CYS B 464 31.529 77.806 47.835 1.00 64.80 0.171 C +ATOM 2346 C CYS B 464 32.488 76.925 48.624 1.00 63.63 0.255 C +ATOM 2347 O CYS B 464 32.559 75.719 48.400 1.00 65.40 -0.270 OA +ATOM 2348 CB CYS B 464 30.089 77.422 48.174 1.00 64.16 0.100 C +ATOM 2349 SG CYS B 464 29.715 77.472 49.941 1.00 62.67 -0.080 SA +ATOM 2350 N PRO B 465 33.243 77.517 49.560 1.00 63.38 -0.312 N +ATOM 2351 CA PRO B 465 34.192 76.740 50.362 1.00 64.99 0.163 C +ATOM 2352 C PRO B 465 33.514 75.687 51.240 1.00 67.30 0.251 C +ATOM 2353 O PRO B 465 32.495 75.957 51.877 1.00 67.63 -0.271 OA +ATOM 2354 CB PRO B 465 34.918 77.813 51.172 1.00 63.51 0.034 C +ATOM 2355 CG PRO B 465 33.892 78.889 51.305 1.00 64.46 0.027 C +ATOM 2356 CD PRO B 465 33.277 78.941 49.935 1.00 61.91 0.105 C +ATOM 2357 N GLU B 466 34.094 74.489 51.262 1.00 67.98 -0.338 N +ATOM 2358 HN GLU B 466 34.942 74.346 50.714 1.00 0.00 0.164 HD +ATOM 2359 CA GLU B 466 33.565 73.370 52.039 1.00 69.95 0.160 C +ATOM 2360 C GLU B 466 33.181 73.771 53.458 1.00 68.32 0.251 C +ATOM 2361 O GLU B 466 32.091 73.448 53.933 1.00 67.99 -0.271 OA +ATOM 2362 CB GLU B 466 34.599 72.247 52.115 1.00 74.09 0.043 C +ATOM 2363 CG GLU B 466 35.258 71.899 50.795 1.00 80.47 0.100 C +ATOM 2364 CD GLU B 466 36.253 70.760 50.933 1.00 86.17 0.185 C +ATOM 2365 OE1 GLU B 466 37.011 70.750 51.927 1.00 88.80 -0.647 OA +ATOM 2366 OE2 GLU B 466 36.284 69.882 50.045 1.00 87.25 -0.647 OA +ATOM 2367 N LYS B 467 34.092 74.468 54.128 1.00 66.60 -0.338 N +ATOM 2368 HN LYS B 467 34.971 74.700 53.665 1.00 0.00 0.164 HD +ATOM 2369 CA LYS B 467 33.882 74.914 55.500 1.00 64.62 0.159 C +ATOM 2370 C LYS B 467 32.552 75.654 55.663 1.00 59.46 0.251 C +ATOM 2371 O LYS B 467 31.893 75.547 56.696 1.00 55.68 -0.271 OA +ATOM 2372 CB LYS B 467 35.042 75.819 55.929 1.00 69.56 0.032 C +ATOM 2373 CG LYS B 467 36.040 75.172 56.881 1.00 73.43 0.004 C +ATOM 2374 CD LYS B 467 37.150 76.141 57.263 1.00 78.43 0.032 C +ATOM 2375 CE LYS B 467 37.153 76.421 58.760 1.00 79.51 0.206 C +ATOM 2376 NZ LYS B 467 38.031 77.576 59.120 1.00 82.50 -0.064 N +ATOM 2377 HZ1 LYS B 467 38.033 77.764 60.123 1.00 0.00 0.275 HD +ATOM 2378 HZ2 LYS B 467 37.778 78.410 58.590 1.00 0.00 0.275 HD +ATOM 2379 HZ3 LYS B 467 38.979 77.441 58.769 1.00 0.00 0.275 HD +ATOM 2380 N VAL B 468 32.157 76.401 54.638 1.00 56.21 -0.338 N +ATOM 2381 HN VAL B 468 32.738 76.452 53.801 1.00 0.00 0.164 HD +ATOM 2382 CA VAL B 468 30.906 77.149 54.689 1.00 51.50 0.159 C +ATOM 2383 C VAL B 468 29.708 76.243 54.406 1.00 50.52 0.251 C +ATOM 2384 O VAL B 468 28.657 76.383 55.037 1.00 46.87 -0.271 OA +ATOM 2385 CB VAL B 468 30.917 78.312 53.681 1.00 49.90 0.029 C +ATOM 2386 CG1 VAL B 468 29.613 79.086 53.759 1.00 48.66 0.002 C +ATOM 2387 CG2 VAL B 468 32.095 79.229 53.972 1.00 49.70 0.002 C +ATOM 2388 N TYR B 469 29.871 75.313 53.467 1.00 48.05 -0.337 N +ATOM 2389 HN TYR B 469 30.764 75.248 52.978 1.00 0.00 0.164 HD +ATOM 2390 CA TYR B 469 28.797 74.383 53.123 1.00 50.90 0.164 C +ATOM 2391 C TYR B 469 28.498 73.492 54.327 1.00 51.34 0.251 C +ATOM 2392 O TYR B 469 27.338 73.208 54.630 1.00 48.97 -0.271 OA +ATOM 2393 CB TYR B 469 29.194 73.514 51.926 1.00 51.04 0.058 C +ATOM 2394 CG TYR B 469 28.100 72.572 51.469 1.00 51.87 -0.020 A +ATOM 2395 CD1 TYR B 469 26.877 73.064 51.012 1.00 51.30 -0.002 A +ATOM 2396 CD2 TYR B 469 28.282 71.190 51.503 1.00 53.00 -0.002 A +ATOM 2397 CE1 TYR B 469 25.859 72.203 50.600 1.00 51.40 0.024 A +ATOM 2398 CE2 TYR B 469 27.269 70.317 51.094 1.00 51.54 0.024 A +ATOM 2399 CZ TYR B 469 26.062 70.831 50.644 1.00 51.96 0.089 A +ATOM 2400 OH TYR B 469 25.059 69.978 50.243 1.00 50.44 -0.359 OA +ATOM 2401 HH TYR B 469 25.198 69.039 50.273 1.00 0.00 0.217 HD +ATOM 2402 N GLU B 470 29.554 73.058 55.009 1.00 52.64 -0.338 N +ATOM 2403 HN GLU B 470 30.488 73.319 54.692 1.00 0.00 0.164 HD +ATOM 2404 CA GLU B 470 29.419 72.222 56.194 1.00 55.84 0.160 C +ATOM 2405 C GLU B 470 28.551 72.940 57.220 1.00 55.96 0.251 C +ATOM 2406 O GLU B 470 27.690 72.337 57.855 1.00 57.50 -0.271 OA +ATOM 2407 CB GLU B 470 30.792 71.950 56.806 1.00 60.62 0.043 C +ATOM 2408 CG GLU B 470 31.671 71.009 56.005 1.00 68.53 0.100 C +ATOM 2409 CD GLU B 470 33.121 71.048 56.458 1.00 74.86 0.185 C +ATOM 2410 OE1 GLU B 470 33.360 71.125 57.683 1.00 78.48 -0.647 OA +ATOM 2411 OE2 GLU B 470 34.020 70.992 55.589 1.00 77.84 -0.647 OA +ATOM 2412 N LEU B 471 28.794 74.235 57.379 1.00 55.69 -0.338 N +ATOM 2413 HN LEU B 471 29.528 74.671 56.821 1.00 0.00 0.164 HD +ATOM 2414 CA LEU B 471 28.047 75.055 58.324 1.00 53.89 0.159 C +ATOM 2415 C LEU B 471 26.609 75.155 57.829 1.00 50.22 0.251 C +ATOM 2416 O LEU B 471 25.658 75.213 58.610 1.00 47.81 -0.271 OA +ATOM 2417 CB LEU B 471 28.672 76.449 58.397 1.00 56.51 0.032 C +ATOM 2418 CG LEU B 471 28.331 77.336 59.591 1.00 56.96 0.002 C +ATOM 2419 CD1 LEU B 471 28.864 76.698 60.867 1.00 60.07 0.000 C +ATOM 2420 CD2 LEU B 471 28.949 78.708 59.388 1.00 58.28 0.000 C +ATOM 2421 N MET B 472 26.472 75.169 56.511 1.00 49.58 -0.337 N +ATOM 2422 HN MET B 472 27.310 75.122 55.932 1.00 0.00 0.164 HD +ATOM 2423 CA MET B 472 25.177 75.249 55.856 1.00 48.54 0.160 C +ATOM 2424 C MET B 472 24.386 73.976 56.171 1.00 48.08 0.251 C +ATOM 2425 O MET B 472 23.217 74.034 56.551 1.00 49.20 -0.271 OA +ATOM 2426 CB MET B 472 25.386 75.374 54.343 1.00 52.40 0.043 C +ATOM 2427 CG MET B 472 24.412 76.284 53.626 1.00 54.97 0.060 C +ATOM 2428 SD MET B 472 24.735 76.325 51.855 1.00 55.91 -0.139 SA +ATOM 2429 CE MET B 472 26.023 77.531 51.761 1.00 52.49 0.069 C +ATOM 2430 N ARG B 473 25.038 72.827 56.019 1.00 45.44 -0.338 N +ATOM 2431 HN ARG B 473 26.011 72.844 55.712 1.00 0.00 0.164 HD +ATOM 2432 CA ARG B 473 24.397 71.544 56.280 1.00 47.10 0.159 C +ATOM 2433 C ARG B 473 24.023 71.404 57.752 1.00 47.76 0.251 C +ATOM 2434 O ARG B 473 23.009 70.784 58.088 1.00 45.69 -0.271 OA +ATOM 2435 CB ARG B 473 25.324 70.393 55.871 1.00 48.79 0.034 C +ATOM 2436 CG ARG B 473 25.638 70.334 54.381 1.00 49.69 0.027 C +ATOM 2437 CD ARG B 473 24.361 70.198 53.562 1.00 58.18 0.116 C +ATOM 2438 NE ARG B 473 23.632 68.972 53.880 1.00 61.09 -0.212 N +ATOM 2439 HE ARG B 473 22.758 69.059 54.399 1.00 0.00 0.178 HD +ATOM 2440 CZ ARG B 473 24.031 67.750 53.539 1.00 62.66 0.666 C +ATOM 2441 NH1 ARG B 473 25.158 67.580 52.858 1.00 61.92 -0.235 N +ATOM 2442 1HH1 ARG B 473 25.713 68.392 52.588 1.00 0.00 0.174 HD +ATOM 2443 2HH1 ARG B 473 25.464 66.643 52.596 1.00 0.00 0.174 HD +ATOM 2444 NH2 ARG B 473 23.309 66.694 53.890 1.00 61.82 -0.235 N +ATOM 2445 1HH2 ARG B 473 22.443 66.825 54.413 1.00 0.00 0.174 HD +ATOM 2446 2HH2 ARG B 473 23.615 65.757 53.628 1.00 0.00 0.174 HD +ATOM 2447 N ALA B 474 24.843 71.983 58.626 1.00 43.97 -0.338 N +ATOM 2448 HN ALA B 474 25.662 72.485 58.284 1.00 0.00 0.164 HD +ATOM 2449 CA ALA B 474 24.597 71.917 60.062 1.00 43.91 0.159 C +ATOM 2450 C ALA B 474 23.336 72.688 60.422 1.00 42.71 0.251 C +ATOM 2451 O ALA B 474 22.599 72.302 61.330 1.00 44.78 -0.271 OA +ATOM 2452 CB ALA B 474 25.790 72.476 60.824 1.00 41.55 0.034 C +ATOM 2453 N CYS B 475 23.096 73.782 59.704 1.00 43.40 -0.337 N +ATOM 2454 HN CYS B 475 23.756 74.049 58.974 1.00 0.00 0.164 HD +ATOM 2455 CA CYS B 475 21.916 74.613 59.929 1.00 40.35 0.171 C +ATOM 2456 C CYS B 475 20.679 73.882 59.440 1.00 42.22 0.252 C +ATOM 2457 O CYS B 475 19.559 74.203 59.840 1.00 41.69 -0.271 OA +ATOM 2458 CB CYS B 475 22.037 75.935 59.165 1.00 40.68 0.100 C +ATOM 2459 SG CYS B 475 23.302 77.068 59.791 1.00 44.56 -0.080 SA +ATOM 2460 N TRP B 476 20.889 72.895 58.572 1.00 41.78 -0.337 N +ATOM 2461 HN TRP B 476 21.844 72.661 58.302 1.00 0.00 0.164 HD +ATOM 2462 CA TRP B 476 19.784 72.145 58.003 1.00 46.21 0.164 C +ATOM 2463 C TRP B 476 19.530 70.778 58.621 1.00 47.89 0.251 C +ATOM 2464 O TRP B 476 18.956 69.905 57.973 1.00 47.70 -0.271 OA +ATOM 2465 CB TRP B 476 19.976 71.996 56.490 1.00 45.04 0.060 C +ATOM 2466 CG TRP B 476 19.950 73.305 55.743 1.00 48.16 -0.001 A +ATOM 2467 CD1 TRP B 476 19.223 74.420 56.062 1.00 45.92 0.068 A +ATOM 2468 CD2 TRP B 476 20.653 73.619 54.535 1.00 48.09 0.013 A +ATOM 2469 CE2 TRP B 476 20.304 74.941 54.180 1.00 45.18 0.056 A +ATOM 2470 CE3 TRP B 476 21.545 72.910 53.717 1.00 51.29 0.001 A +ATOM 2471 NE1 TRP B 476 19.432 75.405 55.129 1.00 43.64 -0.352 N +ATOM 2472 HE1 TRP B 476 19.007 76.332 55.141 1.00 0.00 0.166 HD +ATOM 2473 CZ2 TRP B 476 20.815 75.573 53.041 1.00 47.44 0.017 A +ATOM 2474 CZ3 TRP B 476 22.056 73.540 52.582 1.00 52.81 0.000 A +ATOM 2475 CH2 TRP B 476 21.687 74.859 52.256 1.00 52.08 0.002 A +ATOM 2476 N GLN B 477 19.953 70.586 59.867 1.00 47.92 -0.338 N +ATOM 2477 HN GLN B 477 20.444 71.335 60.355 1.00 0.00 0.164 HD +ATOM 2478 CA GLN B 477 19.720 69.314 60.541 1.00 47.97 0.160 C +ATOM 2479 C GLN B 477 18.220 69.201 60.774 1.00 48.21 0.251 C +ATOM 2480 O GLN B 477 17.566 70.180 61.134 1.00 50.67 -0.271 OA +ATOM 2481 CB GLN B 477 20.466 69.256 61.877 1.00 46.98 0.042 C +ATOM 2482 CG GLN B 477 21.973 69.243 61.733 1.00 54.60 0.090 C +ATOM 2483 CD GLN B 477 22.465 68.040 60.949 1.00 59.08 0.227 C +ATOM 2484 NE2 GLN B 477 23.030 68.287 59.771 1.00 62.09 -0.369 N +ATOM 2485 1HE2 GLN B 477 23.142 69.231 59.402 1.00 0.00 0.159 HD +ATOM 2486 2HE2 GLN B 477 23.361 67.479 59.244 1.00 0.00 0.159 HD +ATOM 2487 OE1 GLN B 477 22.330 66.902 61.394 1.00 60.66 -0.273 OA +ATOM 2488 N TRP B 478 17.673 68.008 60.566 1.00 48.07 -0.337 N +ATOM 2489 HN TRP B 478 18.266 67.227 60.284 1.00 0.00 0.164 HD +ATOM 2490 CA TRP B 478 16.241 67.795 60.734 1.00 46.26 0.164 C +ATOM 2491 C TRP B 478 15.714 68.171 62.119 1.00 44.14 0.251 C +ATOM 2492 O TRP B 478 14.676 68.826 62.239 1.00 43.06 -0.271 OA +ATOM 2493 CB TRP B 478 15.884 66.337 60.417 1.00 48.42 0.060 C +ATOM 2494 CG TRP B 478 14.408 66.104 60.401 1.00 48.46 -0.001 A +ATOM 2495 CD1 TRP B 478 13.647 65.593 61.410 1.00 49.20 0.068 A +ATOM 2496 CD2 TRP B 478 13.500 66.462 59.354 1.00 48.55 0.013 A +ATOM 2497 CE2 TRP B 478 12.200 66.143 59.801 1.00 50.11 0.056 A +ATOM 2498 CE3 TRP B 478 13.659 67.026 58.081 1.00 51.03 0.001 A +ATOM 2499 NE1 TRP B 478 12.318 65.614 61.059 1.00 52.53 -0.352 N +ATOM 2500 HE1 TRP B 478 11.546 65.289 61.641 1.00 0.00 0.166 HD +ATOM 2501 CZ2 TRP B 478 11.061 66.369 59.021 1.00 50.82 0.017 A +ATOM 2502 CZ3 TRP B 478 12.523 67.253 57.302 1.00 50.16 0.000 A +ATOM 2503 CH2 TRP B 478 11.243 66.923 57.777 1.00 51.21 0.002 A +ATOM 2504 N ASN B 479 16.423 67.755 63.161 1.00 45.09 -0.337 N +ATOM 2505 HN ASN B 479 17.271 67.210 63.003 1.00 0.00 0.164 HD +ATOM 2506 CA ASN B 479 16.015 68.061 64.528 1.00 45.92 0.169 C +ATOM 2507 C ASN B 479 16.596 69.406 64.956 1.00 45.78 0.255 C +ATOM 2508 O ASN B 479 17.815 69.583 64.998 1.00 47.81 -0.270 OA +ATOM 2509 CB ASN B 479 16.483 66.956 65.481 1.00 50.53 0.119 C +ATOM 2510 CG ASN B 479 16.066 67.210 66.924 1.00 56.71 0.230 C +ATOM 2511 ND2 ASN B 479 16.538 66.363 67.835 1.00 55.57 -0.369 N +ATOM 2512 1HD2 ASN B 479 17.149 65.583 67.594 1.00 0.00 0.159 HD +ATOM 2513 2HD2 ASN B 479 16.259 66.533 68.801 1.00 0.00 0.159 HD +ATOM 2514 OD1 ASN B 479 15.327 68.153 67.215 1.00 58.73 -0.273 OA +ATOM 2515 N PRO B 480 15.725 70.371 65.290 1.00 45.28 -0.312 N +ATOM 2516 CA PRO B 480 16.148 71.709 65.714 1.00 45.56 0.163 C +ATOM 2517 C PRO B 480 17.229 71.763 66.790 1.00 44.86 0.251 C +ATOM 2518 O PRO B 480 18.109 72.621 66.739 1.00 47.06 -0.271 OA +ATOM 2519 CB PRO B 480 14.839 72.371 66.150 1.00 47.78 0.034 C +ATOM 2520 CG PRO B 480 13.946 71.216 66.489 1.00 50.73 0.027 C +ATOM 2521 CD PRO B 480 14.264 70.221 65.414 1.00 45.37 0.105 C +ATOM 2522 N SER B 481 17.181 70.846 67.750 1.00 46.11 -0.336 N +ATOM 2523 HN SER B 481 16.441 70.144 67.743 1.00 0.00 0.164 HD +ATOM 2524 CA SER B 481 18.178 70.836 68.814 1.00 47.31 0.189 C +ATOM 2525 C SER B 481 19.544 70.411 68.284 1.00 48.02 0.254 C +ATOM 2526 O SER B 481 20.569 70.700 68.898 1.00 48.97 -0.270 OA +ATOM 2527 CB SER B 481 17.745 69.901 69.955 1.00 51.11 0.169 C +ATOM 2528 OG SER B 481 17.778 68.539 69.562 1.00 50.21 -0.380 OA +ATOM 2529 HG SER B 481 17.510 67.961 70.267 1.00 0.00 0.211 HD +ATOM 2530 N ASP B 482 19.553 69.728 67.141 1.00 49.16 -0.337 N +ATOM 2531 HN ASP B 482 18.666 69.518 66.684 1.00 0.00 0.164 HD +ATOM 2532 CA ASP B 482 20.795 69.269 66.520 1.00 50.75 0.170 C +ATOM 2533 C ASP B 482 21.500 70.423 65.814 1.00 51.02 0.251 C +ATOM 2534 O ASP B 482 22.668 70.318 65.447 1.00 52.47 -0.271 OA +ATOM 2535 CB ASP B 482 20.509 68.168 65.494 1.00 58.07 0.129 C +ATOM 2536 CG ASP B 482 20.055 66.872 66.133 1.00 64.28 0.188 C +ATOM 2537 OD1 ASP B 482 19.175 66.917 67.018 1.00 68.08 -0.647 OA +ATOM 2538 OD2 ASP B 482 20.573 65.804 65.740 1.00 66.07 -0.647 OA +ATOM 2539 N ARG B 483 20.784 71.523 65.622 1.00 48.51 -0.338 N +ATOM 2540 HN ARG B 483 19.818 71.558 65.948 1.00 0.00 0.164 HD +ATOM 2541 CA ARG B 483 21.357 72.680 64.954 1.00 49.07 0.160 C +ATOM 2542 C ARG B 483 22.162 73.514 65.941 1.00 50.00 0.254 C +ATOM 2543 O ARG B 483 21.809 73.618 67.117 1.00 48.70 -0.270 OA +ATOM 2544 CB ARG B 483 20.247 73.534 64.334 1.00 46.81 0.034 C +ATOM 2545 CG ARG B 483 19.358 72.773 63.360 1.00 44.59 0.027 C +ATOM 2546 CD ARG B 483 18.123 73.574 62.993 1.00 44.85 0.116 C +ATOM 2547 NE ARG B 483 17.101 72.722 62.395 1.00 38.52 -0.212 N +ATOM 2548 HE ARG B 483 17.403 71.856 61.949 1.00 0.00 0.178 HD +ATOM 2549 CZ ARG B 483 15.802 73.001 62.394 1.00 42.59 0.666 C +ATOM 2550 NH1 ARG B 483 15.356 74.117 62.957 1.00 34.53 -0.235 N +ATOM 2551 1HH1 ARG B 483 14.359 74.331 62.956 1.00 0.00 0.174 HD +ATOM 2552 2HH1 ARG B 483 16.017 74.772 63.374 1.00 0.00 0.174 HD +ATOM 2553 NH2 ARG B 483 14.941 72.148 61.851 1.00 48.78 -0.235 N +ATOM 2554 1HH2 ARG B 483 13.944 72.362 61.850 1.00 0.00 0.174 HD +ATOM 2555 2HH2 ARG B 483 15.284 71.290 61.418 1.00 0.00 0.174 HD +ATOM 2556 N PRO B 484 23.265 74.115 65.471 1.00 50.79 -0.312 N +ATOM 2557 CA PRO B 484 24.118 74.946 66.325 1.00 48.53 0.163 C +ATOM 2558 C PRO B 484 23.469 76.300 66.568 1.00 47.93 0.251 C +ATOM 2559 O PRO B 484 22.572 76.703 65.825 1.00 46.83 -0.271 OA +ATOM 2560 CB PRO B 484 25.395 75.069 65.509 1.00 48.66 0.034 C +ATOM 2561 CG PRO B 484 24.861 75.115 64.099 1.00 52.42 0.027 C +ATOM 2562 CD PRO B 484 23.827 74.007 64.112 1.00 47.94 0.105 C +ATOM 2563 N SER B 485 23.923 76.993 67.610 1.00 46.41 -0.336 N +ATOM 2564 HN SER B 485 24.656 76.587 68.192 1.00 0.00 0.164 HD +ATOM 2565 CA SER B 485 23.405 78.313 67.944 1.00 43.67 0.189 C +ATOM 2566 C SER B 485 24.118 79.347 67.091 1.00 43.92 0.254 C +ATOM 2567 O SER B 485 25.133 79.047 66.449 1.00 44.03 -0.270 OA +ATOM 2568 CB SER B 485 23.662 78.629 69.416 1.00 48.41 0.169 C +ATOM 2569 OG SER B 485 25.054 78.615 69.690 1.00 49.69 -0.380 OA +ATOM 2570 HG SER B 485 25.214 78.812 70.606 1.00 0.00 0.211 HD +ATOM 2571 N PHE B 486 23.589 80.565 67.090 1.00 41.64 -0.337 N +ATOM 2572 HN PHE B 486 22.746 80.745 67.636 1.00 0.00 0.164 HD +ATOM 2573 CA PHE B 486 24.186 81.646 66.327 1.00 42.65 0.164 C +ATOM 2574 C PHE B 486 25.507 82.076 66.951 1.00 48.66 0.251 C +ATOM 2575 O PHE B 486 26.369 82.640 66.274 1.00 48.28 -0.271 OA +ATOM 2576 CB PHE B 486 23.220 82.825 66.241 1.00 43.12 0.058 C +ATOM 2577 CG PHE B 486 22.192 82.675 65.154 1.00 41.40 -0.020 A +ATOM 2578 CD1 PHE B 486 22.579 82.641 63.818 1.00 40.43 -0.004 A +ATOM 2579 CD2 PHE B 486 20.848 82.563 65.459 1.00 37.96 -0.004 A +ATOM 2580 CE1 PHE B 486 21.638 82.498 62.801 1.00 42.33 -0.000 A +ATOM 2581 CE2 PHE B 486 19.894 82.418 64.450 1.00 43.67 -0.000 A +ATOM 2582 CZ PHE B 486 20.288 82.387 63.119 1.00 44.38 -0.000 A +ATOM 2583 N ALA B 487 25.672 81.806 68.244 1.00 50.12 -0.338 N +ATOM 2584 HN ALA B 487 24.923 81.353 68.768 1.00 0.00 0.164 HD +ATOM 2585 CA ALA B 487 26.918 82.155 68.912 1.00 50.58 0.159 C +ATOM 2586 C ALA B 487 28.005 81.246 68.345 1.00 49.15 0.251 C +ATOM 2587 O ALA B 487 29.108 81.696 68.052 1.00 49.92 -0.271 OA +ATOM 2588 CB ALA B 487 26.790 81.956 70.414 1.00 51.47 0.034 C +ATOM 2589 N GLU B 488 27.679 79.966 68.183 1.00 49.57 -0.338 N +ATOM 2590 HN GLU B 488 26.745 79.654 68.448 1.00 0.00 0.164 HD +ATOM 2591 CA GLU B 488 28.625 78.997 67.636 1.00 52.59 0.160 C +ATOM 2592 C GLU B 488 28.897 79.274 66.160 1.00 53.67 0.251 C +ATOM 2593 O GLU B 488 30.012 79.074 65.670 1.00 55.59 -0.271 OA +ATOM 2594 CB GLU B 488 28.078 77.575 67.793 1.00 55.50 0.043 C +ATOM 2595 CG GLU B 488 28.010 77.090 69.231 1.00 61.36 0.100 C +ATOM 2596 CD GLU B 488 27.361 75.721 69.354 1.00 65.99 0.185 C +ATOM 2597 OE1 GLU B 488 26.164 75.597 69.018 1.00 63.63 -0.647 OA +ATOM 2598 OE2 GLU B 488 28.048 74.769 69.786 1.00 71.01 -0.647 OA +ATOM 2599 N ILE B 489 27.868 79.733 65.455 1.00 50.98 -0.338 N +ATOM 2600 HN ILE B 489 26.971 79.874 65.920 1.00 0.00 0.164 HD +ATOM 2601 CA ILE B 489 27.988 80.039 64.037 1.00 49.02 0.159 C +ATOM 2602 C ILE B 489 28.901 81.245 63.822 1.00 48.92 0.251 C +ATOM 2603 O ILE B 489 29.761 81.234 62.941 1.00 45.77 -0.271 OA +ATOM 2604 CB ILE B 489 26.596 80.329 63.416 1.00 45.04 0.029 C +ATOM 2605 CG1 ILE B 489 25.764 79.040 63.387 1.00 44.78 0.002 C +ATOM 2606 CG2 ILE B 489 26.757 80.912 62.021 1.00 46.26 0.002 C +ATOM 2607 CD1 ILE B 489 24.347 79.211 62.872 1.00 40.67 0.000 C +ATOM 2608 N HIS B 490 28.704 82.284 64.629 1.00 51.34 -0.337 N +ATOM 2609 HN HIS B 490 27.972 82.232 65.337 1.00 0.00 0.164 HD +ATOM 2610 CA HIS B 490 29.509 83.497 64.526 1.00 52.32 0.165 C +ATOM 2611 C HIS B 490 30.969 83.171 64.808 1.00 53.57 0.251 C +ATOM 2612 O HIS B 490 31.872 83.654 64.122 1.00 45.70 -0.271 OA +ATOM 2613 CB HIS B 490 29.020 84.551 65.521 1.00 55.30 0.077 C +ATOM 2614 CG HIS B 490 29.803 85.825 65.475 1.00 59.98 0.054 A +ATOM 2615 CD2 HIS B 490 30.614 86.408 66.390 1.00 61.28 0.086 A +ATOM 2616 ND1 HIS B 490 29.823 86.647 64.368 1.00 60.67 -0.340 N +ATOM 2617 HD1 HIS B 490 29.308 86.483 63.503 1.00 0.00 0.167 HD +ATOM 2618 CE1 HIS B 490 30.612 87.680 64.602 1.00 60.41 0.151 A +ATOM 2619 NE2 HIS B 490 31.105 87.559 65.822 1.00 62.50 -0.336 N +ATOM 2620 HE2 HIS B 490 31.746 88.214 66.270 1.00 0.00 0.168 HD +ATOM 2621 N GLN B 491 31.185 82.348 65.828 1.00 56.40 -0.338 N +ATOM 2622 HN GLN B 491 30.386 81.997 66.357 1.00 0.00 0.164 HD +ATOM 2623 CA GLN B 491 32.522 81.932 66.215 1.00 59.70 0.160 C +ATOM 2624 C GLN B 491 33.201 81.256 65.031 1.00 61.42 0.251 C +ATOM 2625 O GLN B 491 34.383 81.474 64.775 1.00 59.41 -0.271 OA +ATOM 2626 CB GLN B 491 32.446 80.957 67.392 1.00 63.30 0.042 C +ATOM 2627 CG GLN B 491 33.799 80.495 67.899 1.00 69.42 0.090 C +ATOM 2628 CD GLN B 491 34.640 81.643 68.417 1.00 73.97 0.227 C +ATOM 2629 NE2 GLN B 491 35.790 81.868 67.788 1.00 74.92 -0.369 N +ATOM 2630 1HE2 GLN B 491 36.356 82.641 68.137 1.00 0.00 0.159 HD +ATOM 2631 2HE2 GLN B 491 36.105 81.303 66.999 1.00 0.00 0.159 HD +ATOM 2632 OE1 GLN B 491 34.259 82.325 69.370 1.00 76.23 -0.273 OA +ATOM 2633 N ALA B 492 32.439 80.441 64.306 1.00 62.82 -0.338 N +ATOM 2634 HN ALA B 492 31.462 80.313 64.568 1.00 0.00 0.164 HD +ATOM 2635 CA ALA B 492 32.962 79.725 63.147 1.00 62.98 0.159 C +ATOM 2636 C ALA B 492 33.365 80.680 62.030 1.00 63.71 0.251 C +ATOM 2637 O ALA B 492 34.462 80.575 61.484 1.00 64.68 -0.271 OA +ATOM 2638 CB ALA B 492 31.927 78.733 62.635 1.00 64.24 0.034 C +ATOM 2639 N PHE B 493 32.473 81.603 61.685 1.00 63.23 -0.337 N +ATOM 2640 HN PHE B 493 31.572 81.633 62.162 1.00 0.00 0.164 HD +ATOM 2641 CA PHE B 493 32.762 82.572 60.636 1.00 66.54 0.164 C +ATOM 2642 C PHE B 493 33.888 83.513 61.035 1.00 68.04 0.251 C +ATOM 2643 O PHE B 493 34.659 83.960 60.186 1.00 68.34 -0.271 OA +ATOM 2644 CB PHE B 493 31.516 83.391 60.293 1.00 65.27 0.058 C +ATOM 2645 CG PHE B 493 30.646 82.756 59.254 1.00 68.07 -0.020 A +ATOM 2646 CD1 PHE B 493 31.166 82.426 58.005 1.00 66.76 -0.004 A +ATOM 2647 CD2 PHE B 493 29.306 82.490 59.515 1.00 66.62 -0.004 A +ATOM 2648 CE1 PHE B 493 30.367 81.841 57.031 1.00 66.62 -0.000 A +ATOM 2649 CE2 PHE B 493 28.498 81.905 58.545 1.00 68.15 -0.000 A +ATOM 2650 CZ PHE B 493 29.032 81.580 57.300 1.00 65.95 -0.000 A +ATOM 2651 N GLU B 494 33.978 83.817 62.326 1.00 69.70 -0.338 N +ATOM 2652 HN GLU B 494 33.306 83.421 62.983 1.00 0.00 0.164 HD +ATOM 2653 CA GLU B 494 35.020 84.705 62.815 1.00 72.98 0.160 C +ATOM 2654 C GLU B 494 36.358 83.980 62.758 1.00 74.90 0.251 C +ATOM 2655 O GLU B 494 37.407 84.611 62.661 1.00 75.94 -0.271 OA +ATOM 2656 CB GLU B 494 34.721 85.146 64.247 1.00 74.74 0.043 C +ATOM 2657 CG GLU B 494 35.660 86.227 64.764 1.00 82.17 0.100 C +ATOM 2658 CD GLU B 494 35.327 86.660 66.179 1.00 87.43 0.185 C +ATOM 2659 OE1 GLU B 494 34.384 86.089 66.769 1.00 90.63 -0.647 OA +ATOM 2660 OE2 GLU B 494 36.009 87.570 66.702 1.00 88.07 -0.647 OA +ATOM 2661 N THR B 495 36.317 82.653 62.817 1.00 77.31 -0.336 N +ATOM 2662 HN THR B 495 35.416 82.184 62.914 1.00 0.00 0.164 HD +ATOM 2663 CA THR B 495 37.536 81.853 62.746 1.00 80.18 0.186 C +ATOM 2664 C THR B 495 38.042 81.872 61.310 1.00 80.90 0.253 C +ATOM 2665 O THR B 495 39.239 82.018 61.066 1.00 81.34 -0.270 OA +ATOM 2666 CB THR B 495 37.285 80.396 63.173 1.00 80.26 0.140 C +ATOM 2667 CG2 THR B 495 38.523 79.548 62.921 1.00 80.29 0.034 C +ATOM 2668 OG1 THR B 495 36.961 80.356 64.568 1.00 80.67 -0.382 OA +ATOM 2669 HG1 THR B 495 36.188 80.885 64.725 1.00 0.00 0.210 HD +ATOM 2670 N MET B 496 37.121 81.723 60.362 1.00 82.31 -0.337 N +ATOM 2671 HN MET B 496 36.148 81.580 60.632 1.00 0.00 0.164 HD +ATOM 2672 CA MET B 496 37.468 81.759 58.946 1.00 84.62 0.160 C +ATOM 2673 C MET B 496 37.860 83.196 58.616 1.00 87.04 0.251 C +ATOM 2674 O MET B 496 37.836 83.618 57.460 1.00 86.75 -0.271 OA +ATOM 2675 CB MET B 496 36.269 81.338 58.096 1.00 81.82 0.043 C +ATOM 2676 CG MET B 496 35.860 79.888 58.278 1.00 80.74 0.060 C +ATOM 2677 SD MET B 496 34.320 79.500 57.429 1.00 75.91 -0.139 SA +ATOM 2678 CE MET B 496 33.187 79.402 58.804 1.00 78.90 0.069 C +ATOM 2679 N PHE B 497 38.211 83.936 59.663 1.00 90.42 -0.337 N +ATOM 2680 HN PHE B 497 38.193 83.501 60.585 1.00 0.00 0.164 HD +ATOM 2681 CA PHE B 497 38.620 85.332 59.572 1.00 93.05 0.164 C +ATOM 2682 C PHE B 497 39.740 85.555 60.585 1.00 94.67 0.251 C +ATOM 2683 O PHE B 497 40.909 85.261 60.324 1.00 92.26 -0.271 OA +ATOM 2684 CB PHE B 497 37.450 86.253 59.933 1.00 93.91 0.058 C +ATOM 2685 CG PHE B 497 36.866 86.994 58.768 1.00 93.96 -0.020 A +ATOM 2686 CD1 PHE B 497 35.755 86.498 58.095 1.00 94.24 -0.004 A +ATOM 2687 CD2 PHE B 497 37.420 88.200 58.351 1.00 93.85 -0.004 A +ATOM 2688 CE1 PHE B 497 35.202 87.197 57.023 1.00 94.81 -0.000 A +ATOM 2689 CE2 PHE B 497 36.877 88.904 57.282 1.00 94.40 -0.000 A +ATOM 2690 CZ PHE B 497 35.764 88.402 56.616 1.00 95.25 -0.000 A +ATOM 2691 N GLN B 498 39.346 86.074 61.747 1.00 97.48 -0.339 N +ATOM 2692 HN GLN B 498 38.354 86.278 61.866 1.00 0.00 0.164 HD +ATOM 2693 CA GLN B 498 40.241 86.370 62.861 1.00 99.26 0.146 C +ATOM 2694 C GLN B 498 41.016 87.663 62.621 1.00 99.49 0.229 C +ATOM 2695 O GLN B 498 42.257 87.648 62.759 1.00100.35 -0.286 OA +ATOM 2696 CB GLN B 498 41.211 85.205 63.093 1.00100.80 0.040 C +ATOM 2697 CG GLN B 498 41.391 84.831 64.556 1.00102.53 0.090 C +ATOM 2698 CD GLN B 498 40.090 84.391 65.210 1.00103.58 0.227 C +ATOM 2699 NE2 GLN B 498 40.041 83.136 65.647 1.00102.89 -0.369 N +ATOM 2700 1HE2 GLN B 498 39.169 82.841 66.086 1.00 0.00 0.159 HD +ATOM 2701 2HE2 GLN B 498 40.827 82.492 65.558 1.00 0.00 0.159 HD +ATOM 2702 OE1 GLN B 498 39.140 85.169 65.318 1.00103.62 -0.273 OA +TER 2703 GLN B 498