Mercurial > repos > marpiech > norwich_tools_docking2
changeset 0:4cc079c67fab draft
planemo upload
| author | marpiech |
|---|---|
| date | Mon, 29 Aug 2016 08:34:42 -0400 |
| parents | |
| children | 30e2440b2173 |
| files | rdock.xml smina.xml test-data/rdock/1nem_lig.sd test-data/rdock/1nem_output test-data/rdock/1nem_rdock.mol2 test-data/rdock/1nem_rdock.prm test-data/rdock/1sj0_ligand.sd test-data/rdock/1sj0_output test-data/rdock/1sj0_rdock.mol2 test-data/rdock/1sj0_rdock.prm test-data/rdock/done test-data/rdock/out.as test-data/rdock/sorted.sd test-data/smina/ligand.pdbqt test-data/smina/output test-data/smina/output_smina test-data/smina/protein.pdbqt |
| diffstat | 17 files changed, 39408 insertions(+), 0 deletions(-) [+] |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/rdock.xml Mon Aug 29 08:34:42 2016 -0400 @@ -0,0 +1,51 @@ +<tool id="rdock" name="rdock" version="1.0"> + <description>tail-to-head</description> + <command> + <![CDATA[ + cat $inputmol2 > inputmol2.mol2; cat $inputprm | sed "s|RECEPTOR_FILE.*|RECEPTOR_FILE inputmol2.mol2|g" | sed "s|REF_MOL.*|REF_MOL ligand.sd|g" > new.prm; + cp -r $__tool_directory__/tools/rdock/data .; + mkdir data/ligands; + cp $inputsd data/ligands/ligand.sd; + LD_LIBRARY_PATH=$__tool_directory__/tools/rdock/lib $__tool_directory__/tools/rdock/bin/rbcavity -r new.prm -was > /tmp/rbcavity.log; + LD_LIBRARY_PATH=$__tool_directory__/tools/rdock/lib $__tool_directory__/tools/rdock/bin/rbdock -r new.prm -p dock.prm -n 100 -i $inputsd -o output_docking_out > /tmp/docking_out.log; + PERL5LIB=$__tool_directory__/tools/rdock/lib/ LD_LIBRARY_PATH=$__tool_directory__/tools/rdock/lib $__tool_directory__/tools/rdock/bin/sdsort -n -f'SCORE' output_docking_out.sd > sorted.sd; + PYTHONPATH=/usr/lib/python2.7/dist-packages/ $__tool_directory__/tools/rdock/bin/sdrmsd $inputsd sorted.sd > $output_rdock + ]]> + </command> + <inputs> + <param name="inputprm" format="prm" type="data" label="PRM file" /> + <param name="inputmol2" format="mol2" type="data" label="MOL2 file" /> + <param name="inputsd" format="sd" type="data" label="SD file" /> + </inputs> + <outputs> + <data name="output_rdock" format="data" /> + </outputs> + <tests> + <test> + <param name="inputprm" value="rdock/1sj0_rdock.prm" /> + <param name="inputmol2" value="rdock/1sj0_rdock.mol2" /> + <param name="inputsd" value="rdock/1sj0_ligand.sd" /> + <output name="output_rdock"> + <assert_contents> + <has_n_columns n="2" /> + </assert_contents> + </output> + </test> + <test> + <param name="inputprm" value="rdock/1nem_rdock.prm" /> + <param name="inputmol2" value="rdock/1nem_rdock.mol2" /> + <param name="inputsd" value="rdock/1nem_lig.sd" /> + <output name="output_rdock"> + <assert_contents> + <has_n_columns n="2" /> + </assert_contents> + </output> + </test> + </tests> + <help> + rDock tool + </help> + <citations> + <citation type="doi">doi:10.1371/journal.pcbi.1003571</citation> + </citations> +</tool>
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/smina.xml Mon Aug 29 08:34:42 2016 -0400 @@ -0,0 +1,146 @@ +<tool id="smina" name="smina" version="0.1.0"> + <stdio> + <exit_code range="1:" /> + </stdio> + <command> + <![CDATA[ + cat $receptor > receptor.pdbqt; + cat $ligand > ligand.pdbqt; + $__tool_directory__/tools/smina/smina.static + --receptor receptor.pdbqt + --ligand ligand.pdbqt + + #if $flex + --flex $flex + #end if + #if $flexres + --flexres $flexres + #end if + #if $flexdist_ligand + --flexdist_ligand $flexdist_ligand + #end if + #if $flexdist + --flexdist $flexdist + #end if + + --center_x $center_x + --center_y $center_y + --center_z $center_z + --size_x $size_x + --size_y $size_y + --size_z $size_z + + #if $autobox_ligand + --autobox_ligand $autobox_ligand + #end if + #if $autobox_add + --autobox_add $autobox_add + #end if + #if $no_lig=="true" + --no_lig + #end if + + --scoring $scoring + #if $custom_scoring + --custom_scoring $custom_scoring + #end if + #if $custom_atoms + --custom_atoms $custom_atoms + #end if + #if $score_only=="true" + --score_only + #end if + #if $local_only=="true" + --local_only + #end if + #if $minimize=="true" + --minimize + #end if + #if $randomize_only=="true" + --randomize_only + #end if + #if $minimize_iters + --minimize_iters $minimize_iters + #end if + + --seed 1000 > $output; + cat $output > /tmp/ouput + ]]> + </command> + <inputs> + <param name="receptor" type="data" format="pdbqt" label="receptor: rigid part of the receptore" /> + <param name="ligand" type="data" format="data" label="ligand: ligand(s)" /> + + <param name="flex" type="data" format="pdbqt" label="flex: flexible side chains, if any" optional="true" /> + <param name="flexres" type="text" label="flexres: flexible side chains specified by comma separated list of chain:resid" optional="true" /> + <param name="flexdist_ligand" type="data" format="data" label="flexdist_ligand: Ligand to use for flexdist" optional="true" /> + <param name="flexdist" type="float" label="flexdist: set all side chains within specified distance to flexdist_ligand to flexible" optional="true" /> + + <param name="center_x" type="float" value="0" label="center_x: X coordinate of the center" /> + <param name="center_y" type="float" value="0" label="center_y: Y coordinate of the center" /> + <param name="center_z" type="float" value="0" label="center_z: Z coordinate of the center" /> + <param name="size_x" type="integer" value="1" label="size_x: size in the X dimension" /> + <param name="size_y" type="integer" value="1" label="size_y: size in the Y dimension" /> + <param name="size_z" type="integer" value="1" label="size_z: size in the Z dimension" /> + + <param name="autobox_ligand" type="data" format="data" label="autobox_ligand: Ligand to use for autobox" optional="true" /> + <param name="autobox_add" type="float" value="4" label="autobox_add: Amount of buffer space to add to auto-generated box text(default +4 on all six sides)" optional="true" /> + <param name="no_lig" type="select" label="no_lig: no ligand; for sampling/minimizing flexible residues (Type true if you want to use it)" optional="true"> + <option value="false" selected="true">Don't use this option</option> + <option value="true">Use this option</option> + </param> + + <param name="scoring" type="select" label="scoring: specify alternative builtin scoring function" optional="true"> + <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 name="custom_scoring" type="data" format="data" label="custom_scoring: custom scoring function file" optional="true" /> + <param name="custom_atoms" type="data" format="data" label="custom_atoms: custom atom type parameters file" optional="true" /> + <param name="score_only" type="select" label="score_only: score provided ligand pose" optional="true"> + <option value="false" selected="true">Don't use this option</option> + <option value="true">Use this option</option> + </param> + <param name="local_only" type="select" label="local_only: local search only using autobox (you probably want to use --minimize)" optional="true"> + <option value="false" selected="true">Don't use this option</option> + <option value="true">Use this option</option> + </param> + <param name="minimize" type="select" label="minimize: energy minimization" optional="true"> + <option value="false" selected="true">Don't use this option</option> + <option value="true">Use this option</option> + </param> + <param name="randomize_only" type="select" label="randomize_only: generate random poses, attempting to avoid clashes" optional="true"> + <option value="false" selected="true">Don't use this option</option> + <option value="true">Use this option</option> + </param> + <param name="minimize_iters" type="integer" label="minimize_iters: number iterations of steepest descent; default scales with rotors and usually isn't sufficient for convergence" optional="true" /> + </inputs> + <outputs> + <data name="output" format="data" /> + </outputs> + <tests> + <test> + <param name="receptor" value="smina/protein.pdbqt" /> + <param name="ligand" value="smina/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" /> + <output name="output" file="smina/output_smina" /> + </test> + </tests> + <help> + "Smina help" + </help> + <citations> + <citation type="bibtex"> + @misc{renameTODO, author = {LastTODO, FirstTODO}, year = {TODO}, title = {TODO}, url = {https://sourceforge.net/projects/smina/}, } + </citation> + </citations> +</tool>
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/rdock/1nem_lig.sd Mon Aug 29 08:34:42 2016 -0400 @@ -0,0 +1,148 @@ +1NEM.B + MOE2001 3D +RIBONUCLEIC ACID + 67 70 0 0 1 0 0 0 0 0 1 V2000 + 2.0910 -4.2300 1.6810 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2.0050 -4.8350 2.4300 H 0 0 0 0 0 0 0 0 0 0 0 0 + 2.2770 -2.8980 2.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 + 2.4230 -1.8700 1.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2130 -1.7610 0.2990 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2.6680 -0.4460 1.5160 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.0070 -0.3880 2.0130 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2.3970 0.2860 0.2150 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.4170 0.0490 -0.7610 O 0 0 0 0 0 0 0 0 0 0 0 0 + 3.2060 0.5320 -1.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 + 1.1010 -0.4250 -0.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.2860 0.6400 2.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.7400 0.5150 3.3950 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.9910 -0.8550 3.9150 N 0 3 0 0 0 0 0 0 0 0 0 0 + 6.9630 -0.9450 4.1700 H 0 0 0 0 0 0 0 0 0 0 0 0 + 5.4140 -1.0180 4.7270 H 0 0 0 0 0 0 0 0 0 0 0 0 + 5.7660 -1.5320 3.2010 H 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0660 1.5860 4.4410 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.1210 2.8620 3.8170 O 0 0 0 0 0 0 0 0 0 0 0 0 + 6.3270 3.5360 4.4790 H 0 0 0 0 0 0 0 0 0 0 0 0 + 5.0180 1.6050 5.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.1070 0.4200 6.3390 O 0 0 0 0 0 0 0 0 0 0 0 0 + 4.4410 0.4450 7.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 + 3.6230 1.7250 4.9510 C 0 0 0 0 0 0 0 0 0 0 0 0 + 3.3990 0.6390 4.0310 O 0 0 0 0 0 0 0 0 0 0 0 0 + 2.5140 1.6970 5.9880 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1.2250 2.1640 5.4310 N 0 3 0 0 0 0 0 0 0 0 0 0 + 1.3250 3.1120 5.1010 H 0 0 0 0 0 0 0 0 0 0 0 0 + 0.9550 1.5680 4.6630 H 0 0 0 0 0 0 0 0 0 0 0 0 + 0.5170 2.1300 6.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.4520 -2.2830 4.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.6050 -2.1450 1.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2050 -3.6170 1.7450 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.4010 -3.8770 0.5270 N 0 3 0 0 0 0 0 0 0 0 0 0 + -0.1260 -4.8480 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 + -0.9520 -3.6660 -0.2910 H 0 0 0 0 0 0 0 0 0 0 0 0 + 0.4230 -3.2940 0.5370 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.4470 -4.4980 1.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.0620 -5.8640 1.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.8520 -6.4220 1.7340 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.3160 -4.1810 2.9420 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.5110 -4.9500 2.8960 O 0 0 0 0 0 0 0 0 0 0 0 0 + -5.0560 -4.7450 3.6680 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.0360 -0.9310 4.0220 N 0 3 0 0 0 0 0 0 0 0 0 0 + -4.2960 -0.2590 3.8800 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.6560 -0.9220 3.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.5530 -0.6910 4.8540 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.6610 -2.6930 2.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.4540 -1.9040 2.9290 O 0 0 0 0 0 0 0 0 0 0 0 0 + -2.7830 1.9810 -1.3140 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0090 3.4320 -1.5060 N 0 3 0 0 0 0 0 0 0 0 0 0 + -3.8660 3.5740 -2.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.0770 3.8840 -0.6060 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.2380 3.8270 -2.0230 H 0 0 0 0 0 0 0 0 0 0 0 0 + -3.9420 1.3720 -0.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 + -3.7220 -0.1200 -0.3260 C 0 0 0 0 0 0 0 0 0 0 0 0 + -4.8590 -0.6390 0.4210 N 0 3 0 0 0 0 0 0 0 0 0 0 + -4.9200 -0.1680 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 + -5.7070 -0.4800 -0.1030 H 0 0 0 0 0 0 0 0 0 0 0 0 + -4.7380 -1.6290 0.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 + -2.4190 -0.3500 0.4360 C 0 0 0 0 0 0 0 0 0 0 0 0 + -2.2040 -1.7650 0.6030 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.2310 0.2610 -0.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.0370 0.1190 0.4730 O 0 0 0 0 0 0 0 0 0 0 0 0 + -1.4520 1.7450 -0.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 + -0.3900 2.2380 -1.4080 O 0 0 0 0 0 0 0 0 0 0 0 0 + 0.4530 2.0890 -0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 1 0 0 0 0 + 1 3 1 0 0 0 0 + 3 4 1 0 0 0 0 + 4 6 1 0 0 0 0 + 4 5 1 0 0 0 0 + 5 11 1 0 0 0 0 + 6 8 1 0 0 0 0 + 6 7 1 0 0 0 0 + 7 12 1 0 0 0 0 + 8 11 1 0 0 0 0 + 8 9 1 0 0 0 0 + 9 10 1 0 0 0 0 + 11 64 1 0 0 0 0 + 12 13 1 0 0 0 0 + 12 25 1 0 0 0 0 + 13 18 1 0 0 0 0 + 13 14 1 0 0 0 0 + 14 17 1 0 0 0 0 + 14 16 1 0 0 0 0 + 14 15 1 0 0 0 0 + 18 21 1 0 0 0 0 + 18 19 1 0 0 0 0 + 19 20 1 0 0 0 0 + 21 24 1 0 0 0 0 + 21 22 1 0 0 0 0 + 22 23 1 0 0 0 0 + 24 26 1 0 0 0 0 + 24 25 1 0 0 0 0 + 26 27 1 0 0 0 0 + 27 30 1 0 0 0 0 + 27 29 1 0 0 0 0 + 27 28 1 0 0 0 0 + 31 48 1 0 0 0 0 + 31 44 1 0 0 0 0 + 32 33 1 0 0 0 0 + 32 49 1 0 0 0 0 + 32 62 1 0 0 0 0 + 33 38 1 0 0 0 0 + 33 34 1 0 0 0 0 + 34 37 1 0 0 0 0 + 34 36 1 0 0 0 0 + 34 35 1 0 0 0 0 + 38 41 1 0 0 0 0 + 38 39 1 0 0 0 0 + 39 40 1 0 0 0 0 + 41 48 1 0 0 0 0 + 41 42 1 0 0 0 0 + 42 43 1 0 0 0 0 + 44 47 1 0 0 0 0 + 44 46 1 0 0 0 0 + 44 45 1 0 0 0 0 + 48 49 1 0 0 0 0 + 50 55 1 0 0 0 0 + 50 65 1 0 0 0 0 + 50 51 1 0 0 0 0 + 51 54 1 0 0 0 0 + 51 53 1 0 0 0 0 + 51 52 1 0 0 0 0 + 55 56 1 0 0 0 0 + 56 61 1 0 0 0 0 + 56 57 1 0 0 0 0 + 57 60 1 0 0 0 0 + 57 59 1 0 0 0 0 + 57 58 1 0 0 0 0 + 61 63 1 0 0 0 0 + 61 62 1 0 0 0 0 + 63 65 1 0 0 0 0 + 63 64 1 0 0 0 0 + 65 66 1 0 0 0 0 + 66 67 1 0 0 0 0 +M CHG 1 14 1 +M CHG 1 27 1 +M CHG 1 34 1 +M CHG 1 44 1 +M CHG 1 51 1 +M CHG 1 57 1 +M END
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/rdock/1nem_output Mon Aug 29 08:34:42 2016 -0400 @@ -0,0 +1,101 @@ +POSE RMSD_NOFIT +1 2.05 +2 0.77 +3 4.66 +4 2.14 +5 2.27 +6 1.91 +7 2.48 +8 0.96 +9 1.23 +10 8.30 +11 2.11 +12 4.60 +13 1.54 +14 2.22 +15 1.59 +16 1.28 +17 5.12 +18 2.71 +19 2.00 +20 1.67 +21 1.59 +22 2.24 +23 1.63 +24 0.82 +25 2.25 +26 1.90 +27 2.03 +28 8.33 +29 8.28 +30 8.23 +31 2.05 +32 2.42 +33 2.26 +34 2.68 +35 8.70 +36 2.35 +37 2.50 +38 2.77 +39 2.72 +40 2.71 +41 1.99 +42 2.62 +43 2.40 +44 7.95 +45 8.35 +46 1.93 +47 8.59 +48 8.48 +49 4.45 +50 7.78 +51 7.72 +52 7.78 +53 8.58 +54 2.74 +55 3.85 +56 4.20 +57 8.49 +58 4.48 +59 1.96 +60 1.44 +61 8.19 +62 2.80 +63 5.43 +64 8.46 +65 8.84 +66 8.95 +67 8.99 +68 8.41 +69 8.27 +70 8.17 +71 7.80 +72 7.73 +73 9.45 +74 8.07 +75 4.92 +76 3.43 +77 7.85 +78 1.83 +79 8.05 +80 8.58 +81 8.87 +82 7.88 +83 2.27 +84 8.42 +85 8.68 +86 8.59 +87 5.63 +88 8.72 +89 3.59 +90 8.00 +91 8.47 +92 4.51 +93 8.55 +94 3.75 +95 8.43 +96 4.78 +97 4.89 +98 4.86 +99 4.26 +100 8.16
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/rdock/1nem_rdock.mol2 Mon Aug 29 08:34:42 2016 -0400 @@ -0,0 +1,1582 @@ +@<TRIPOS>MOLECULE +1NEM.A +744 803 23 0 0 +BIOPOLYMER +USER_CHARGES + + +@<TRIPOS>ATOM + 1 O5' 4.7460 15.2970 -9.5070 O.3 1 G5_4 -0.6800 BACKBONE + 2 HO5' 4.0460 15.1580 -10.1580 H 1 G5_4 0.4000 + 3 C5' 4.1720 16.1450 -8.5140 C.3 1 G5_4 0.1200 BACKBONE + 4 C4' 4.9570 16.0660 -7.1940 C.3 1 G5_4 0.2000 BACKBONE + 5 O4' 4.4250 17.0320 -6.2290 O.3 1 G5_4 -0.5600 + 6 C3' 4.8270 14.7290 -6.4540 C.3 1 G5_4 0.2000 BACKBONE + 7 O3' 5.6330 13.6980 -7.0410 O.3 1 G5_4 -0.5512 BACKBONE + 8 C2' 5.1950 15.1160 -5.0130 C.3 1 G5_4 0.2000 + 9 O2' 6.6050 15.1930 -4.7900 O.3 1 G5_4 -0.6800 + 10 HO2' 6.7984 14.4889 -4.1603 H 1 G5_4 0.4000 + 11 C1' 4.5330 16.5070 -4.8910 C.3 1 G5_4 0.4556 + 12 N9 3.1770 16.5250 -4.2520 N.pl3 1 G5_4 0.0476 + 13 C8 1.9490 16.4030 -4.8450 C.2 1 G5_4 0.0365 + 14 N7 0.9320 16.4630 -4.0240 N.2 1 G5_4 -0.5653 + 15 C5 1.4990 16.6270 -2.7880 C.2 1 G5_4 0.1412 + 16 C6 0.8630 16.7470 -1.5420 C.2 1 G5_4 0.7160 + 17 O6 -0.3580 16.7180 -1.3500 O.2 1 G5_4 -0.5700 + 18 N1 1.8000 16.9090 -0.4950 N.am 1 G5_4 -0.4900 + 19 C2 3.1870 16.9490 -0.6310 C.2 1 G5_4 0.5600 + 20 N2 3.8300 17.1190 0.5470 N.pl3 1 G5_4 -0.8500 + 21 N3 3.7710 16.8300 -1.8480 N.2 1 G5_4 -0.5760 + 22 C4 2.8930 16.6720 -2.8780 C.2 1 G5_4 -0.0256 + 23 H5' 3.1120 15.8520 -8.3550 H 1 G5_4 0.0800 + 24 H5'' 4.1910 17.1880 -8.8980 H 1 G5_4 0.0800 + 25 H4' 6.0250 16.3240 -7.3680 H 1 G5_4 0.0800 + 26 H3' 3.7510 14.4250 -6.4640 H 1 G5_4 0.0800 + 27 H2' 4.7690 14.4120 -4.2780 H 1 G5_4 0.0800 + 28 H1' 5.2090 17.1600 -4.3060 H 1 G5_4 0.0800 + 29 H8 1.8910 16.2730 -5.9250 H 1 G5_4 0.1500 + 30 H1 1.3940 17.0030 0.4270 H 1 G5_4 0.3700 + 31 H21 3.3080 17.1950 1.4020 H 1 G5_4 0.4000 + 32 H22 4.8280 17.1550 0.5420 H 1 G5_4 0.4000 + 33 P 5.3830 12.1570 -6.7190 P.3 2 G5 1.4424 BACKBONE + 34 OP1 5.8690 11.3550 -7.8620 O.co2 2 G5 -0.9500 BACKBONE + 35 OP2 3.9730 11.9590 -6.2990 O.co2 2 G5 -0.9500 BACKBONE + 36 O5' 6.3610 11.9450 -5.4800 O.3 2 G5 -0.5512 BACKBONE + 37 C5' 6.1080 10.9480 -4.4870 C.3 2 G5 0.1200 BACKBONE + 38 C4' 6.5680 11.4070 -3.0800 C.3 2 G5 0.2000 BACKBONE + 39 O4' 6.0690 12.7570 -2.7770 O.3 2 G5 -0.5600 + 40 C3' 6.0170 10.5140 -1.9530 C.3 2 G5 0.2000 BACKBONE + 41 O3' 6.9200 9.4420 -1.6390 O.3 2 G5 -0.5512 BACKBONE + 42 C2' 5.7430 11.4940 -0.7960 C.3 2 G5 0.2000 + 43 O2' 6.8870 11.7390 0.0230 O.3 2 G5 -0.6800 + 44 HO2' 7.1990 10.8620 0.2690 H 2 G5 0.4000 + 45 C1' 5.3330 12.7750 -1.5530 C.3 2 G5 0.4556 + 46 N9 3.8770 12.9500 -1.8580 N.pl3 2 G5 0.0476 + 47 C8 3.2200 12.8280 -3.0530 C.2 2 G5 0.0365 + 48 N7 1.9340 13.0530 -3.0000 N.2 2 G5 -0.5653 + 49 C5 1.6960 13.3480 -1.6850 C.2 2 G5 0.1412 + 50 C6 0.4810 13.6670 -1.0700 C.2 2 G5 0.7160 + 51 O6 -0.6140 13.7290 -1.6390 O.2 2 G5 -0.5700 + 52 N1 0.6460 13.9130 0.3130 N.am 2 G5 -0.4900 + 53 C2 1.8510 13.8500 1.0150 C.2 2 G5 0.5600 + 54 N2 1.7040 14.1260 2.3260 N.pl3 2 G5 -0.8500 + 55 N3 3.0070 13.5400 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C3 1 + +# MOE 2011.10 (io_trps.svl 2011.10)
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/rdock/1nem_rdock.prm Mon Aug 29 08:34:42 2016 -0400 @@ -0,0 +1,28 @@ +RBT_PARAMETER_FILE_V1.00 +TITLE 1nem_APT + +RECEPTOR_FILE 1nem_rdock.mol2 +RECEPTOR_FLEX 3.0 + +################################################################## +### CAVITY DEFINITION: REFERENCE LIGAND METHOD +################################################################## +SECTION MAPPER + SITE_MAPPER RbtLigandSiteMapper + REF_MOL 1nem_lig.sd + RADIUS 4.0 + SMALL_SPHERE 1.0 + MIN_VOLUME 100 + MAX_CAVITIES 1 + VOL_INCR 0.0 + GRIDSTEP 0.5 +END_SECTION + +################################# +#CAVITY RESTRAINT PENALTY +################################# +SECTION CAVITY + SCORING_FUNCTION RbtCavityGridSF + WEIGHT 1.0 +END_SECTION +
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/rdock/1sj0_ligand.sd Mon Aug 29 08:34:42 2016 -0400 @@ -0,0 +1,136 @@ +LIGAND + OpenBabel03061313403D + + 63 67 0 0 1 0 0 0 0 0999 V2000 + 31.1720 -0.2380 28.7070 C 0 0 2 0 0 0 0 0 0 0 0 0 + 31.0931 -0.3224 29.8074 H 0 0 0 0 0 0 0 0 0 0 0 0 + 31.2760 -1.6690 28.1770 C 0 0 1 0 0 0 0 0 0 0 0 0 + 32.0203 -2.2068 28.7837 H 0 0 0 0 0 0 0 0 0 0 0 0 + 30.0500 -2.3690 28.4310 O 0 0 0 0 0 0 0 0 0 0 0 0 + 28.8610 -1.9480 27.9670 C 0 0 0 0 0 0 0 0 0 0 0 0 + 27.9320 -2.9010 27.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 + 28.1542 -3.9573 27.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 + 26.7240 -2.5350 27.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 + 26.0814 -3.2823 26.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 + 26.3460 -1.1830 27.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 + 25.1280 -0.8570 26.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 + 25.0516 0.1675 26.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 + 27.2840 -0.2150 27.4260 C 0 0 0 0 0 0 0 0 0 0 0 0 + 27.0045 0.8381 27.3950 H 0 0 0 0 0 0 0 0 0 0 0 0 + 28.5550 -0.5630 27.8540 C 0 0 0 0 0 0 0 0 0 0 0 0 + 29.6080 0.4570 28.1910 S 0 0 0 0 0 0 0 0 0 0 0 0 + 32.4700 0.4800 28.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 + 32.6800 1.3800 27.3730 C 0 0 0 0 0 0 0 0 0 0 0 0 + 31.8675 1.6111 26.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 + 33.9320 1.9870 27.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 + 34.0953 2.6824 26.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 + 34.9760 1.6980 28.0990 C 0 0 0 0 0 0 0 0 0 0 0 0 + 36.1910 2.2510 27.9230 O 0 0 0 0 0 0 0 0 0 0 0 0 + 36.9000 1.6860 28.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 + 34.7830 0.7840 29.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 + 35.6032 0.5288 29.8140 H 0 0 0 0 0 0 0 0 0 0 0 0 + 33.5190 0.2030 29.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 + 33.3474 -0.4750 30.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 + 31.6300 -1.8400 26.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 + 32.6480 -2.7670 26.4480 C 0 0 0 0 0 0 0 0 0 0 0 0 + 33.1205 -3.2805 27.2854 H 0 0 0 0 0 0 0 0 0 0 0 0 + 33.0730 -3.0500 25.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 + 33.8424 -3.8019 24.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 + 32.4960 -2.3520 24.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 + 31.4550 -1.4710 24.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 + 30.9433 -1.0029 23.4540 H 0 0 0 0 0 0 0 0 0 0 0 0 + 31.0470 -1.1710 25.6230 C 0 0 0 0 0 0 0 0 0 0 0 0 + 30.2786 -0.4184 25.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 + 32.9110 -2.5720 22.7850 O 0 0 0 0 0 0 0 0 0 0 0 0 + 34.0020 -3.4000 22.3460 C 0 0 0 0 0 0 0 0 0 0 0 0 + 34.3997 -4.0684 23.1191 H 0 0 0 0 0 0 0 0 0 0 0 0 + 34.8354 -2.7288 22.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 + 33.6550 -4.3840 21.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 + 33.0771 -5.2015 21.6765 H 0 0 0 0 0 0 0 0 0 0 0 0 + 34.5750 -4.8437 20.8101 H 0 0 0 0 0 0 0 0 0 0 0 0 + 32.8000 -4.0120 20.0540 N 0 0 0 0 0 0 0 0 0 0 0 0 + 32.4248 -4.9327 19.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 + 31.5970 -3.2410 20.3190 C 0 0 0 0 0 0 0 0 0 0 0 0 + 31.8950 -2.1972 20.4989 H 0 0 0 0 0 0 0 0 0 0 0 0 + 31.1253 -3.6247 21.2365 H 0 0 0 0 0 0 0 0 0 0 0 0 + 30.5570 -3.2640 19.1770 C 0 0 0 0 0 0 0 0 0 0 0 0 + 29.7656 -2.5506 19.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 + 30.0729 -4.2549 19.1109 H 0 0 0 0 0 0 0 0 0 0 0 0 + 31.1870 -2.9120 17.8130 C 0 0 0 0 0 0 0 0 0 0 0 0 + 31.5113 -1.8555 17.8003 H 0 0 0 0 0 0 0 0 0 0 0 0 + 30.4559 -3.0304 16.9933 H 0 0 0 0 0 0 0 0 0 0 0 0 + 32.4130 -3.8420 17.6170 C 0 0 0 0 0 0 0 0 0 0 0 0 + 32.9393 -3.6069 16.6782 H 0 0 0 0 0 0 0 0 0 0 0 0 + 32.0839 -4.8933 17.5339 H 0 0 0 0 0 0 0 0 0 0 0 0 + 33.4340 -3.6740 18.7760 C 0 0 0 0 0 0 0 0 0 0 0 0 + 34.2956 -4.3392 18.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 + 33.8078 -2.6408 18.8276 H 0 0 0 0 0 0 0 0 0 0 0 0 + 1 3 1 0 0 0 0 + 1 17 1 0 0 0 0 + 1 18 1 0 0 0 0 + 1 2 1 1 0 0 0 + 3 5 1 0 0 0 0 + 3 30 1 0 0 0 0 + 3 4 1 1 0 0 0 + 5 6 1 0 0 0 0 + 6 7 1 0 0 0 0 + 6 16 2 0 0 0 0 + 7 9 2 0 0 0 0 + 7 8 1 0 0 0 0 + 9 11 1 0 0 0 0 + 9 10 1 0 0 0 0 + 11 12 1 0 0 0 0 + 11 14 2 0 0 0 0 + 12 13 1 0 0 0 0 + 14 16 1 0 0 0 0 + 14 15 1 0 0 0 0 + 16 17 1 0 0 0 0 + 18 19 1 0 0 0 0 + 18 28 2 0 0 0 0 + 19 21 2 0 0 0 0 + 19 20 1 0 0 0 0 + 21 23 1 0 0 0 0 + 21 22 1 0 0 0 0 + 23 24 1 0 0 0 0 + 23 26 2 0 0 0 0 + 24 25 1 0 0 0 0 + 26 28 1 0 0 0 0 + 26 27 1 0 0 0 0 + 28 29 1 0 0 0 0 + 30 31 1 0 0 0 0 + 30 38 2 0 0 0 0 + 31 33 2 0 0 0 0 + 31 32 1 0 0 0 0 + 33 35 1 0 0 0 0 + 33 34 1 0 0 0 0 + 35 36 2 0 0 0 0 + 35 40 1 0 0 0 0 + 36 38 1 0 0 0 0 + 36 37 1 0 0 0 0 + 38 39 1 0 0 0 0 + 40 41 1 0 0 0 0 + 41 44 1 0 0 0 0 + 41 42 1 0 0 0 0 + 41 43 1 0 0 0 0 + 44 47 1 0 0 0 0 + 44 45 1 0 0 0 0 + 44 46 1 0 0 0 0 + 47 49 1 0 0 0 0 + 47 61 1 0 0 0 0 + 47 48 1 0 0 0 0 + 49 52 1 0 0 0 0 + 49 50 1 0 0 0 0 + 49 51 1 0 0 0 0 + 52 55 1 0 0 0 0 + 52 53 1 0 0 0 0 + 52 54 1 0 0 0 0 + 55 58 1 0 0 0 0 + 55 56 1 0 0 0 0 + 55 57 1 0 0 0 0 + 58 61 1 0 0 0 0 + 58 59 1 0 0 0 0 + 58 60 1 0 0 0 0 + 61 62 1 0 0 0 0 + 61 63 1 0 0 0 0 +M END +$$$$
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/rdock/1sj0_output Mon Aug 29 08:34:42 2016 -0400 @@ -0,0 +1,101 @@ +POSE RMSD_NOFIT +1 0.48 +2 0.58 +3 0.47 +4 0.56 +5 1.71 +6 2.10 +7 0.81 +8 2.02 +9 2.29 +10 0.69 +11 0.79 +12 0.54 +13 0.56 +14 0.75 +15 1.53 +16 0.85 +17 0.84 +18 2.04 +19 1.83 +20 1.63 +21 2.13 +22 1.51 +23 1.70 +24 1.92 +25 1.70 +26 1.65 +27 0.78 +28 1.78 +29 1.38 +30 2.09 +31 0.76 +32 1.17 +33 0.73 +34 1.91 +35 1.44 +36 0.78 +37 2.17 +38 2.23 +39 2.02 +40 1.47 +41 1.68 +42 1.85 +43 1.48 +44 1.87 +45 2.22 +46 2.37 +47 1.46 +48 0.68 +49 0.77 +50 2.00 +51 1.34 +52 2.09 +53 1.58 +54 0.80 +55 0.96 +56 2.00 +57 1.93 +58 1.81 +59 1.69 +60 1.14 +61 2.06 +62 2.05 +63 1.36 +64 1.78 +65 1.85 +66 0.87 +67 2.53 +68 2.10 +69 1.65 +70 0.83 +71 0.81 +72 1.85 +73 1.24 +74 1.43 +75 1.97 +76 1.76 +77 2.30 +78 5.34 +79 0.82 +80 5.59 +81 5.29 +82 5.66 +83 5.33 +84 2.45 +85 5.52 +86 5.39 +87 5.36 +88 5.51 +89 5.43 +90 5.36 +91 5.33 +92 5.30 +93 5.52 +94 5.43 +95 5.37 +96 5.46 +97 9.28 +98 9.63 +99 9.69 +100 10.15
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/rdock/1sj0_rdock.mol2 Mon Aug 29 08:34:42 2016 -0400 @@ -0,0 +1,7885 @@ +@<TRIPOS>MOLECULE +A_1SJ0_PROTEIN + 3920 3957 0 0 0 +SMALL +USER_CHARGES + +@<TRIPOS>ATOM + 1 N 10.2140 11.7660 7.2280 N.3 1 ALA3071 1.0000 + 2 HN1 10.1708 12.6773 6.7499 H 1 ALA3071 1.0000 + 3 HN2 11.1616 11.3736 7.1330 H 1 ALA3071 1.0000 + 4 CA 9.9000 11.9420 8.6390 C.3 1 ALA3071 1.0000 + 5 HA 9.1476 11.2332 8.9848 H 1 ALA3071 1.0000 + 6 C 9.3570 13.3360 8.9390 C.2 1 ALA3071 1.0000 + 7 O 9.2760 13.6980 10.1100 O.2 1 ALA3071 1.0000 + 8 CB 11.1290 11.7070 9.5050 C.3 1 ALA3071 1.0000 + 9 HB1 10.8667 11.8448 10.5540 H 1 ALA3071 1.0000 + 10 HB2 11.4927 10.6909 9.3524 H 1 ALA3071 1.0000 + 11 HB3 11.9091 12.4168 9.2298 H 1 ALA3071 1.0000 + 12 N 9.0170 14.0770 7.8960 N.am 2 LEU3082 1.0000 + 13 HN 9.0196 13.6375 6.9645 H 2 LEU3082 1.0000 + 14 CA 8.6390 15.4820 7.9950 C.3 2 LEU3082 1.0000 + 15 HA 8.7169 15.8758 9.0084 H 2 LEU3082 1.0000 + 16 C 7.2020 15.7470 7.5620 C.2 2 LEU3082 1.0000 + 17 O 6.8930 16.7930 6.9900 O.2 2 LEU3082 1.0000 + 18 CB 9.6310 16.3060 7.1530 C.3 2 LEU3082 1.0000 + 19 HB1 10.0119 17.1779 7.6848 H 2 LEU3082 1.0000 + 20 HB2 9.1882 16.6849 6.2319 H 2 LEU3082 1.0000 + 21 CG 10.8660 15.4950 6.7280 C.3 2 LEU3082 1.0000 + 22 HG 10.9979 14.6401 7.3913 H 2 LEU3082 1.0000 + 23 CD1 10.6940 14.9920 5.3060 C.3 2 LEU3082 1.0000 + 24 HD11 11.5738 14.4187 5.0139 H 2 LEU3082 1.0000 + 25 HD12 9.8110 14.3554 5.2495 H 2 LEU3082 1.0000 + 26 HD13 10.5735 15.8402 4.6321 H 2 LEU3082 1.0000 + 27 CD2 12.1340 16.3140 6.8740 C.3 2 LEU3082 1.0000 + 28 HD21 12.9913 15.7153 6.5664 H 2 LEU3082 1.0000 + 29 HD22 12.0677 17.2023 6.2459 H 2 LEU3082 1.0000 + 30 HD23 12.2556 16.6139 7.9149 H 2 LEU3082 1.0000 + 31 N 6.3360 14.7860 7.8520 N.am 3 SER3093 1.0000 + 32 HN 6.7091 13.9125 8.2503 H 3 SER3093 1.0000 + 33 CA 4.9010 14.8730 7.6500 C.3 3 SER3093 1.0000 + 34 HA 4.6011 15.9196 7.5965 H 3 SER3093 1.0000 + 35 C 4.1740 14.1970 8.8180 C.2 3 SER3093 1.0000 + 36 O 2.9580 14.3250 8.9390 O.2 3 SER3093 1.0000 + 37 CB 4.4560 14.2240 6.3390 C.3 3 SER3093 1.0000 + 38 HB1 5.0688 13.3477 6.1276 H 3 SER3093 1.0000 + 39 HB2 4.5589 14.9318 5.5165 H 3 SER3093 1.0000 + 40 OG 3.0950 13.8210 6.4300 O.3 3 SER3093 1.0000 + 41 HG 2.4909 14.6547 6.4610 H 3 SER3093 1.0000 + 42 N 4.9660 13.5010 9.6190 N.am 4 LEU3104 1.0000 + 43 HN 5.9567 13.4276 9.3467 H 4 LEU3104 1.0000 + 44 CA 4.5700 12.8320 10.8440 C.3 4 LEU3104 1.0000 + 45 HA 3.6540 12.2644 10.6800 H 4 LEU3104 1.0000 + 46 C 4.3250 13.8580 11.9430 C.2 4 LEU3104 1.0000 + 47 O 5.1590 14.7350 12.1810 O.2 4 LEU3104 1.0000 + 48 CB 5.6550 11.8540 11.2920 C.3 4 LEU3104 1.0000 + 49 HB1 5.9491 12.1489 12.2993 H 4 LEU3104 1.0000 + 50 HB2 6.4772 11.9484 10.5827 H 4 LEU3104 1.0000 + 51 CG 5.3560 10.3640 11.3740 C.3 4 LEU3104 1.0000 + 52 HG 4.6533 10.1285 12.1733 H 4 LEU3104 1.0000 + 53 CD1 4.7470 9.8290 10.0880 C.3 4 LEU3104 1.0000 + 54 HD11 4.5511 8.7620 10.1945 H 4 LEU3104 1.0000 + 55 HD12 3.8121 10.3509 9.8835 H 4 LEU3104 1.0000 + 56 HD13 5.4404 9.9899 9.2626 H 4 LEU3104 1.0000 + 57 CD2 6.6160 9.5700 11.7060 C.3 4 LEU3104 1.0000 + 58 HD21 6.3739 8.5085 11.7585 H 4 LEU3104 1.0000 + 59 HD22 7.3641 9.7336 10.9303 H 4 LEU3104 1.0000 + 60 HD23 7.0114 9.8999 12.6667 H 4 LEU3104 1.0000 + 61 N 3.1960 13.7870 12.6390 N.am 5 THR3115 1.0000 + 62 HN 2.4828 13.0783 12.4152 H 5 THR3115 1.0000 + 63 CA 2.9890 14.7370 13.7290 C.3 5 THR3115 1.0000 + 64 HA 3.1207 15.7526 13.3556 H 5 THR3115 1.0000 + 65 C 4.0030 14.4670 14.8390 C.2 5 THR3115 1.0000 + 66 O 4.6850 13.4500 14.7730 O.2 5 THR3115 1.0000 + 67 CB 1.5900 14.6530 14.3510 C.3 5 THR3115 1.0000 + 68 HB 1.4088 15.5026 15.0093 H 5 THR3115 1.0000 + 69 OG1 1.4750 13.4110 15.0660 O.3 5 THR3115 1.0000 + 70 HG1 0.6087 13.4140 15.6232 H 5 THR3115 1.0000 + 71 CG2 0.5200 14.6530 13.2710 C.3 5 THR3115 1.0000 + 72 HG21 -0.4647 14.5928 13.7344 H 5 THR3115 1.0000 + 73 HG22 0.5912 15.5714 12.6883 H 5 THR3115 1.0000 + 74 HG23 0.6653 13.7948 12.6149 H 5 THR3115 1.0000 + 75 N 4.0470 15.3660 15.8170 N.am 6 ALA3126 1.0000 + 76 HN 3.5038 16.2371 15.7337 H 6 ALA3126 1.0000 + 77 CA 4.8570 15.1310 17.0070 C.3 6 ALA3126 1.0000 + 78 HA 5.9065 15.0873 16.7158 H 6 ALA3126 1.0000 + 79 C 4.4330 13.8080 17.6390 C.2 6 ALA3126 1.0000 + 80 O 5.2460 13.0580 18.1720 O.2 6 ALA3126 1.0000 + 81 CB 4.7380 16.2520 18.0230 C.3 6 ALA3126 1.0000 + 82 HB1 5.3608 16.0262 18.8886 H 6 ALA3126 1.0000 + 83 HB2 5.0684 17.1879 17.5725 H 6 ALA3126 1.0000 + 84 HB3 3.6992 16.3482 18.3387 H 6 ALA3126 1.0000 + 85 N 3.1310 13.5480 17.5560 N.am 7 ASP3137 1.0000 + 86 HN 2.5197 14.2107 17.0580 H 7 ASP3137 1.0000 + 87 CA 2.5440 12.3530 18.1490 C.3 7 ASP3137 1.0000 + 88 HA 2.8885 12.2095 19.1731 H 7 ASP3137 1.0000 + 89 C 2.9130 11.1110 17.3630 C.2 7 ASP3137 1.0000 + 90 O 3.1050 10.0400 17.9450 O.2 7 ASP3137 1.0000 + 91 CB 1.0200 12.4960 18.2630 C.3 7 ASP3137 1.0000 + 92 HB1 0.5251 11.5449 18.0665 H 7 ASP3137 1.0000 + 93 HB2 0.6440 13.2266 17.5468 H 7 ASP3137 1.0000 + 94 CG 0.6210 12.9560 19.6600 C.2 7 ASP3137 1.0000 + 95 OD1 -0.1490 13.9360 19.7650 O.co2 7 ASP3137 1.0000 + 96 OD2 1.0860 12.3310 20.6400 O.co2 7 ASP3137 1.0000 + 97 N 3.0330 11.2210 16.0430 N.am 8 GLN3148 1.0000 + 98 HN 2.8684 12.1204 15.5688 H 8 GLN3148 1.0000 + 99 CA 3.4060 10.0260 15.2840 C.3 8 GLN3148 1.0000 + 100 HA 2.8238 9.1607 15.6009 H 8 GLN3148 1.0000 + 101 C 4.8810 9.6890 15.4770 C.2 8 GLN3148 1.0000 + 102 O 5.2660 8.5200 15.4220 O.2 8 GLN3148 1.0000 + 103 CB 3.1300 10.2200 13.8010 C.3 8 GLN3148 1.0000 + 104 HB1 2.8747 9.2498 13.3747 H 8 GLN3148 1.0000 + 105 HB2 4.0319 10.6212 13.3388 H 8 GLN3148 1.0000 + 106 CG 1.9940 11.1700 13.4750 C.3 8 GLN3148 1.0000 + 107 HG1 2.2986 12.2094 13.5972 H 8 GLN3148 1.0000 + 108 HG2 1.1360 11.0006 14.1256 H 8 GLN3148 1.0000 + 109 CD 1.5230 10.9970 12.0430 C.2 8 GLN3148 1.0000 + 110 OE1 2.0770 11.5890 11.1180 O.2 8 GLN3148 1.0000 + 111 NE2 0.4930 10.1730 11.8800 N.am 8 GLN3148 1.0000 + 112 HE21 0.0723 9.7067 12.6964 H 8 GLN3148 1.0000 + 113 HE22 0.1154 10.0008 10.9373 H 8 GLN3148 1.0000 + 114 N 5.6880 10.7280 15.6920 N.am 9 MET3159 1.0000 + 115 HN 5.3026 11.6828 15.7202 H 9 MET3159 1.0000 + 116 CA 7.1220 10.5110 15.8880 C.3 9 MET3159 1.0000 + 117 HA 7.5461 9.9299 15.0691 H 9 MET3159 1.0000 + 118 C 7.3910 9.7520 17.1890 C.2 9 MET3159 1.0000 + 119 O 8.1530 8.7790 17.1920 O.2 9 MET3159 1.0000 + 120 CB 7.8630 11.8470 15.8610 C.3 9 MET3159 1.0000 + 121 HB1 7.4382 12.5948 16.5307 H 9 MET3159 1.0000 + 122 HB2 7.8740 12.3197 14.8789 H 9 MET3159 1.0000 + 123 CG 9.3230 11.7400 16.2640 C.3 9 MET3159 1.0000 + 124 HG1 9.4556 11.1943 17.1982 H 9 MET3159 1.0000 + 125 HG2 9.7853 12.7165 16.4080 H 9 MET3159 1.0000 + 126 SD 10.3170 10.8800 15.0220 S.3 9 MET3159 1.0000 + 127 CE 10.1020 11.9870 13.6270 C.3 9 MET3159 1.0000 + 128 HE1 10.6538 11.6027 12.7692 H 9 MET3159 1.0000 + 129 HE2 9.0434 12.0552 13.3764 H 9 MET3159 1.0000 + 130 HE3 10.4779 12.9767 13.8865 H 9 MET3159 1.0000 + 131 N 6.7630 10.1840 18.2740 N.am 10 VAL31610 1.0000 + 132 HN 6.1472 11.0023 18.1643 H 10 VAL31610 1.0000 + 133 CA 6.8650 9.6080 19.6020 C.3 10 VAL31610 1.0000 + 134 HA 7.8911 9.6252 19.9693 H 10 VAL31610 1.0000 + 135 C 6.4030 8.1580 19.6210 C.2 10 VAL31610 1.0000 + 136 O 7.0240 7.2700 20.2040 O.2 10 VAL31610 1.0000 + 137 CB 6.0100 10.3630 20.6430 C.3 10 VAL31610 1.0000 + 138 HB 4.9820 10.4222 20.2855 H 10 VAL31610 1.0000 + 139 CG1 6.0540 9.6100 21.9650 C.3 10 VAL31610 1.0000 + 140 HG11 5.4521 10.1380 22.7047 H 10 VAL31610 1.0000 + 141 HG12 5.6567 8.6048 21.8246 H 10 VAL31610 1.0000 + 142 HG13 7.0848 9.5473 22.3139 H 10 VAL31610 1.0000 + 143 CG2 6.4800 11.7840 20.8390 C.3 10 VAL31610 1.0000 + 144 HG21 5.8500 12.2768 21.5795 H 10 VAL31610 1.0000 + 145 HG22 7.5132 11.7809 21.1861 H 10 VAL31610 1.0000 + 146 HG23 6.4167 12.3219 19.8931 H 10 VAL31610 1.0000 + 147 N 5.2640 7.9300 18.9640 N.am 11 SER31711 1.0000 + 148 HN 4.7362 8.7128 18.5521 H 11 SER31711 1.0000 + 149 CA 4.7720 6.5600 18.8340 C.3 11 SER31711 1.0000 + 150 HA 4.7232 6.0822 19.8125 H 11 SER31711 1.0000 + 151 C 5.7020 5.7480 17.9400 C.2 11 SER31711 1.0000 + 152 O 6.0090 4.5820 18.2100 O.2 11 SER31711 1.0000 + 153 CB 3.3410 6.5500 18.2960 C.3 11 SER31711 1.0000 + 154 HB1 3.3391 6.3842 17.2187 H 11 SER31711 1.0000 + 155 HB2 2.8500 7.5018 18.4987 H 11 SER31711 1.0000 + 156 OG 2.5870 5.5180 18.9090 O.3 11 SER31711 1.0000 + 157 HG 1.6972 5.9027 19.2572 H 11 SER31711 1.0000 + 158 N 6.1730 6.3530 16.8460 N.am 12 ALA31812 1.0000 + 159 HN 5.8939 7.3144 16.6036 H 12 ALA31812 1.0000 + 160 CA 7.1030 5.5940 16.0040 C.3 12 ALA31812 1.0000 + 161 HA 6.6205 4.6841 15.6470 H 12 ALA31812 1.0000 + 162 C 8.3440 5.2180 16.8110 C.2 12 ALA31812 1.0000 + 163 O 8.8770 4.1130 16.7280 O.2 12 ALA31812 1.0000 + 164 CB 7.4660 6.4000 14.7790 C.3 12 ALA31812 1.0000 + 165 HB1 8.1571 5.8287 14.1592 H 12 ALA31812 1.0000 + 166 HB2 6.5640 6.6205 14.2081 H 12 ALA31812 1.0000 + 167 HB3 7.9392 7.3332 15.0845 H 12 ALA31812 1.0000 + 168 N 8.7900 6.1790 17.6220 N.am 13 LEU31913 1.0000 + 169 HN 8.2603 7.0583 17.7065 H 13 LEU31913 1.0000 + 170 CA 10.0190 6.0020 18.3920 C.3 13 LEU31913 1.0000 + 171 HA 10.8340 5.6467 17.7614 H 13 LEU31913 1.0000 + 172 C 9.8300 4.9920 19.5080 C.2 13 LEU31913 1.0000 + 173 O 10.6570 4.0990 19.7090 O.2 13 LEU31913 1.0000 + 174 CB 10.4870 7.3710 18.9110 C.3 13 LEU31913 1.0000 + 175 HB1 11.2470 7.3058 19.6896 H 13 LEU31913 1.0000 + 176 HB2 9.6866 7.9695 19.3461 H 13 LEU31913 1.0000 + 177 CG 11.1040 8.2600 17.8260 C.3 13 LEU31913 1.0000 + 178 HG 10.3658 8.5968 17.0982 H 13 LEU31913 1.0000 + 179 CD1 11.7460 9.5140 18.4030 C.3 13 LEU31913 1.0000 + 180 HD11 12.1689 10.1110 17.5950 H 13 LEU31913 1.0000 + 181 HD12 10.9924 10.0990 18.9302 H 13 LEU31913 1.0000 + 182 HD13 12.5370 9.2312 19.0975 H 13 LEU31913 1.0000 + 183 CD2 12.1200 7.4640 17.0150 C.3 13 LEU31913 1.0000 + 184 HD21 12.5534 8.1037 16.2462 H 13 LEU31913 1.0000 + 185 HD22 12.9095 7.1032 17.6743 H 13 LEU31913 1.0000 + 186 HD23 11.6246 6.6151 16.5437 H 13 LEU31913 1.0000 + 187 N 8.7340 5.0880 20.2620 N.am 14 LEU32014 1.0000 + 188 HN 8.0374 5.8320 20.1136 H 14 LEU32014 1.0000 + 189 CA 8.5730 4.0790 21.3130 C.3 14 LEU32014 1.0000 + 190 HA 9.4303 4.0860 21.9861 H 14 LEU32014 1.0000 + 191 C 8.4530 2.6940 20.7090 C.2 14 LEU32014 1.0000 + 192 O 8.9170 1.6860 21.2360 O.2 14 LEU32014 1.0000 + 193 CB 7.3500 4.4100 22.1750 C.3 14 LEU32014 1.0000 + 194 HB1 7.2866 3.6682 22.9711 H 14 LEU32014 1.0000 + 195 HB2 6.4666 4.3711 21.5377 H 14 LEU32014 1.0000 + 196 CG 7.3740 5.7880 22.8370 C.3 14 LEU32014 1.0000 + 197 HG 7.8916 6.5054 22.2001 H 14 LEU32014 1.0000 + 198 CD1 5.9540 6.2860 23.0750 C.3 14 LEU32014 1.0000 + 199 HD11 5.9871 7.2680 23.5468 H 14 LEU32014 1.0000 + 200 HD12 5.4294 6.3587 22.1223 H 14 LEU32014 1.0000 + 201 HD13 5.4280 5.5881 23.7264 H 14 LEU32014 1.0000 + 202 CD2 8.1560 5.7730 24.1430 C.3 14 LEU32014 1.0000 + 203 HD21 8.1496 6.7705 24.5824 H 14 LEU32014 1.0000 + 204 HD22 7.6947 5.0687 24.8353 H 14 LEU32014 1.0000 + 205 HD23 9.1844 5.4691 23.9478 H 14 LEU32014 1.0000 + 206 N 7.7980 2.6190 19.5460 N.am 15 ASP32115 1.0000 + 207 HN 7.4358 3.4670 19.0870 H 15 ASP32115 1.0000 + 208 CA 7.6110 1.3080 18.9470 C.3 15 ASP32115 1.0000 + 209 HA 7.0603 0.6359 19.6051 H 15 ASP32115 1.0000 + 210 C 8.9400 0.6330 18.6330 C.2 15 ASP32115 1.0000 + 211 O 9.0090 -0.5770 18.8310 O.2 15 ASP32115 1.0000 + 212 CB 6.7960 1.3930 17.6550 C.3 15 ASP32115 1.0000 + 213 HB1 6.8824 0.4919 17.0478 H 15 ASP32115 1.0000 + 214 HB2 7.1081 2.2216 17.0193 H 15 ASP32115 1.0000 + 215 CG 5.3190 1.5900 17.9150 C.2 15 ASP32115 1.0000 + 216 OD1 4.8470 1.2950 19.0330 O.co2 15 ASP32115 1.0000 + 217 OD2 4.6270 2.0510 16.9820 O.co2 15 ASP32115 1.0000 + 218 N 9.9070 1.4040 18.1610 N.am 16 ALA32216 1.0000 + 219 HN 9.7312 2.4189 18.1606 H 16 ALA32216 1.0000 + 220 CA 11.1900 0.9640 17.6440 C.3 16 ALA32216 1.0000 + 221 HA 11.0184 0.0974 17.0056 H 16 ALA32216 1.0000 + 222 C 12.2140 0.5530 18.7070 C.2 16 ALA32216 1.0000 + 223 O 13.2500 -0.0200 18.3570 O.2 16 ALA32216 1.0000 + 224 CB 11.8020 2.0770 16.8020 C.3 16 ALA32216 1.0000 + 225 HB1 12.7659 1.7501 16.4119 H 16 ALA32216 1.0000 + 226 HB2 11.1361 2.3135 15.9721 H 16 ALA32216 1.0000 + 227 HB3 11.9424 2.9646 17.4188 H 16 ALA32216 1.0000 + 228 N 11.9490 0.8380 19.9660 N.am 17 GLU32317 1.0000 + 229 HN 11.0541 1.3082 20.1636 H 17 GLU32317 1.0000 + 230 CA 12.8110 0.5460 21.1010 C.3 17 GLU32317 1.0000 + 231 HA 13.6533 1.2360 21.1522 H 17 GLU32317 1.0000 + 232 C 13.3830 -0.8610 21.0210 C.2 17 GLU32317 1.0000 + 233 O 12.6450 -1.8240 20.7920 O.2 17 GLU32317 1.0000 + 234 CB 12.0020 0.7010 22.3790 C.3 17 GLU32317 1.0000 + 235 HB1 12.0725 -0.2435 22.9185 H 17 GLU32317 1.0000 + 236 HB2 10.9765 0.9222 22.0833 H 17 GLU32317 1.0000 + 237 CG 12.3860 1.7720 23.3700 C.3 17 GLU32317 1.0000 + 238 HG1 12.3648 1.3241 24.3635 H 17 GLU32317 1.0000 + 239 HG2 11.6567 2.5775 23.2833 H 17 GLU32317 1.0000 + 240 CD 13.7470 2.4030 23.2100 C.2 17 GLU32317 1.0000 + 241 OE1 14.0860 2.8700 22.1030 O.co2 17 GLU32317 1.0000 + 242 OE2 14.5040 2.4460 24.2070 O.co2 17 GLU32317 1.0000 + 243 N 14.6870 -1.0430 21.2080 N.am 18 PRO32418 1.0000 + 244 CA 15.2240 -2.4080 21.1970 C.3 18 PRO32418 1.0000 + 245 HA 14.7997 -2.9949 20.3824 H 18 PRO32418 1.0000 + 246 C 14.9130 -3.1370 22.4980 C.2 18 PRO32418 1.0000 + 247 O 14.5140 -2.5250 23.4890 O.2 18 PRO32418 1.0000 + 248 CB 16.7310 -2.1770 21.0700 C.3 18 PRO32418 1.0000 + 249 HB1 17.0348 -2.1362 20.0240 H 18 PRO32418 1.0000 + 250 HB2 17.2925 -2.9791 21.5490 H 18 PRO32418 1.0000 + 251 CG 16.9330 -0.8650 21.7610 C.3 18 PRO32418 1.0000 + 252 HG1 17.8592 -0.4539 21.3594 H 18 PRO32418 1.0000 + 253 HG2 17.0000 -1.0934 22.8247 H 18 PRO32418 1.0000 + 254 CD 15.7310 -0.0290 21.4210 C.3 18 PRO32418 1.0000 + 255 HD1 15.4621 0.6508 22.2295 H 18 PRO32418 1.0000 + 256 HD2 15.8884 0.5701 20.5241 H 18 PRO32418 1.0000 + 257 N 15.1240 -4.4470 22.4950 N.am 19 PRO32519 1.0000 + 258 CA 14.9220 -5.2470 23.6960 C.3 19 PRO32519 1.0000 + 259 HA 14.0004 -4.9967 24.2214 H 19 PRO32519 1.0000 + 260 C 16.0420 -5.0780 24.7150 C.2 19 PRO32519 1.0000 + 261 O 17.1360 -4.6730 24.3420 O.2 19 PRO32519 1.0000 + 262 CB 14.9840 -6.6820 23.1600 C.3 19 PRO32519 1.0000 + 263 HB1 13.9477 -6.9377 22.9389 H 19 PRO32519 1.0000 + 264 HB2 15.4170 -7.2613 23.9755 H 19 PRO32519 1.0000 + 265 CG 15.8540 -6.5950 21.9540 C.3 19 PRO32519 1.0000 + 266 HG1 15.5565 -7.4268 21.3155 H 19 PRO32519 1.0000 + 267 HG2 16.8764 -6.6848 22.3212 H 19 PRO32519 1.0000 + 268 CD 15.5660 -5.2520 21.3410 C.3 19 PRO32519 1.0000 + 269 HD1 16.4517 -4.8188 20.8763 H 19 PRO32519 1.0000 + 270 HD2 14.7864 -5.3105 20.5815 H 19 PRO32519 1.0000 + 271 N 15.7470 -5.4120 25.9630 N.am 20 ILE32620 1.0000 + 272 HN 14.7592 -5.5934 26.1917 H 20 ILE32620 1.0000 + 273 CA 16.7230 -5.5390 27.0280 C.3 20 ILE32620 1.0000 + 274 HA 17.4889 -4.7687 26.9376 H 20 ILE32620 1.0000 + 275 C 17.4030 -6.9050 26.9700 C.2 20 ILE32620 1.0000 + 276 O 16.7380 -7.9390 27.0560 O.2 20 ILE32620 1.0000 + 277 CB 16.1160 -5.3770 28.4330 C.3 20 ILE32620 1.0000 + 278 HB 15.6277 -6.3104 28.7131 H 20 ILE32620 1.0000 + 279 CG1 14.9920 -4.3540 28.5690 C.3 20 ILE32620 1.0000 + 280 HG11 14.0679 -4.7934 28.9446 H 20 ILE32620 1.0000 + 281 HG12 14.7384 -3.8806 27.6205 H 20 ILE32620 1.0000 + 282 CG2 17.2360 -5.0530 29.4160 C.3 20 ILE32620 1.0000 + 283 HG21 16.8194 -4.9355 30.4164 H 20 ILE32620 1.0000 + 284 HG22 17.9636 -5.8646 29.4190 H 20 ILE32620 1.0000 + 285 HG23 17.7266 -4.1270 29.1162 H 20 ILE32620 1.0000 + 286 CD1 15.3410 -3.2250 29.5240 C.3 20 ILE32620 1.0000 + 287 HD11 14.5061 -2.5267 29.5825 H 20 ILE32620 1.0000 + 288 HD12 15.5414 -3.6347 30.5140 H 20 ILE32620 1.0000 + 289 HD13 16.2263 -2.7024 29.1616 H 20 ILE32620 1.0000 + 290 N 18.7260 -6.9520 26.8290 N.am 21 LEU32721 1.0000 + 291 HN 19.2818 -6.0859 26.7853 H 21 LEU32721 1.0000 + 292 CA 19.3690 -8.2530 26.7380 C.3 21 LEU32721 1.0000 + 293 HA 18.6571 -9.0426 26.4977 H 21 LEU32721 1.0000 + 294 C 20.0420 -8.6460 28.0440 C.2 21 LEU32721 1.0000 + 295 O 20.3100 -7.8240 28.9110 O.2 21 LEU32721 1.0000 + 296 CB 20.4080 -8.2880 25.6060 C.3 21 LEU32721 1.0000 + 297 HB1 20.8109 -9.2857 25.4314 H 21 LEU32721 1.0000 + 298 HB2 21.2691 -7.6489 25.8014 H 21 LEU32721 1.0000 + 299 CG 19.8370 -7.8230 24.2560 C.3 21 LEU32721 1.0000 + 300 HG 19.4316 -6.8146 24.3384 H 21 LEU32721 1.0000 + 301 CD1 20.9160 -7.8170 23.1960 C.3 21 LEU32721 1.0000 + 302 HD11 20.4928 -7.4852 22.2479 H 21 LEU32721 1.0000 + 303 HD12 21.7150 -7.1382 23.4940 H 21 LEU32721 1.0000 + 304 HD13 21.3188 -8.8233 23.0812 H 21 LEU32721 1.0000 + 305 CD2 18.6690 -8.7090 23.8480 C.3 21 LEU32721 1.0000 + 306 HD21 18.2726 -8.3705 22.8907 H 21 LEU32721 1.0000 + 307 HD22 19.0096 -9.7403 23.7554 H 21 LEU32721 1.0000 + 308 HD23 17.8870 -8.6517 24.6052 H 21 LEU32721 1.0000 + 309 N 20.3060 -9.9490 28.1350 N.am 22 TYR32822 1.0000 + 310 HN 20.0217 -10.5734 27.3668 H 22 TYR32822 1.0000 + 311 CA 20.9840 -10.5110 29.2890 C.3 22 TYR32822 1.0000 + 312 HA 20.9667 -9.8202 30.1320 H 22 TYR32822 1.0000 + 313 C 22.4430 -10.8210 28.9750 C.2 22 TYR32822 1.0000 + 314 O 22.8060 -11.1140 27.8320 O.2 22 TYR32822 1.0000 + 315 CB 20.2570 -11.7690 29.7750 C.3 22 TYR32822 1.0000 + 316 HB1 20.8908 -12.4015 30.3965 H 22 TYR32822 1.0000 + 317 HB2 19.9124 -12.3943 28.9514 H 22 TYR32822 1.0000 + 318 CG 19.0320 -11.4440 30.6060 C.ar 22 TYR32822 1.0000 + 319 CD1 17.7950 -11.2260 30.0210 C.ar 22 TYR32822 1.0000 + 320 HD1 17.7008 -11.2920 28.9371 H 22 TYR32822 1.0000 + 321 CD2 19.1230 -11.3560 31.9890 C.ar 22 TYR32822 1.0000 + 322 HD2 20.0821 -11.5236 32.4790 H 22 TYR32822 1.0000 + 323 CE1 16.6740 -10.9260 30.7800 C.ar 22 TYR32822 1.0000 + 324 HE1 15.7121 -10.7552 30.2967 H 22 TYR32822 1.0000 + 325 CE2 18.0090 -11.0580 32.7490 C.ar 22 TYR32822 1.0000 + 326 HE2 18.0966 -10.9899 33.8333 H 22 TYR32822 1.0000 + 327 CZ 16.7870 -10.8460 32.1470 C.ar 22 TYR32822 1.0000 + 328 OH 15.7000 -10.5500 32.9390 O.3 22 TYR32822 1.0000 + 329 HH 15.6373 -9.5302 33.0697 H 22 TYR32822 1.0000 + 330 N 23.2310 -10.7230 30.0490 N.am 23 SER32923 1.0000 + 331 HN 22.8245 -10.3618 30.9238 H 23 SER32923 1.0000 + 332 CA 24.6290 -11.1000 30.0430 C.3 23 SER32923 1.0000 + 333 HA 25.1339 -10.6572 29.1845 H 23 SER32923 1.0000 + 334 C 24.7640 -12.6160 29.9630 C.2 23 SER32923 1.0000 + 335 O 23.8970 -13.3530 30.4350 O.2 23 SER32923 1.0000 + 336 CB 25.3430 -10.5760 31.2940 C.3 23 SER32923 1.0000 + 337 HB1 24.8739 -11.0122 32.1759 H 23 SER32923 1.0000 + 338 HB2 25.2542 -9.4900 31.3212 H 23 SER32923 1.0000 + 339 OG 26.7070 -10.9510 31.2330 O.3 23 SER32923 1.0000 + 340 HG 26.7811 -11.9282 30.9161 H 23 SER32923 1.0000 + 341 N 25.8470 -13.0960 29.3610 N.am 24 GLU33024 1.0000 + 342 HN 26.5992 -12.4584 29.0635 H 24 GLU33024 1.0000 + 343 CA 25.9650 -14.5280 29.1240 C.3 24 GLU33024 1.0000 + 344 HA 25.0848 -15.0692 29.4710 H 24 GLU33024 1.0000 + 345 C 27.1730 -15.1250 29.8470 C.2 24 GLU33024 1.0000 + 346 O 28.2870 -15.0930 29.3360 O.2 24 GLU33024 1.0000 + 347 CB 26.0370 -14.8220 27.6220 C.3 24 GLU33024 1.0000 + 348 HB1 26.8364 -15.5158 27.3617 H 24 GLU33024 1.0000 + 349 HB2 26.2131 -13.9297 27.0213 H 24 GLU33024 1.0000 + 350 CG 24.7580 -15.4420 27.0750 C.3 24 GLU33024 1.0000 + 351 HG1 23.8692 -14.8391 27.2611 H 24 GLU33024 1.0000 + 352 HG2 24.5336 -16.4204 27.4999 H 24 GLU33024 1.0000 + 353 CD 24.7850 -15.6570 25.5760 C.2 24 GLU33024 1.0000 + 354 OE1 25.1670 -16.7600 25.1230 O.co2 24 GLU33024 1.0000 + 355 OE2 24.4180 -14.7090 24.8470 O.co2 24 GLU33024 1.0000 + 356 N 26.8600 -15.6510 31.0150 N.am 25 TYR33125 1.0000 + 357 HN 25.8753 -15.5390 31.2957 H 25 TYR33125 1.0000 + 358 CA 27.6900 -16.3600 31.9590 C.3 25 TYR33125 1.0000 + 359 HA 28.4166 -16.9722 31.4249 H 25 TYR33125 1.0000 + 360 C 26.8210 -17.2640 32.8370 C.2 25 TYR33125 1.0000 + 361 O 25.7170 -16.8540 33.2070 O.2 25 TYR33125 1.0000 + 362 CB 28.4560 -15.3820 32.8620 C.3 25 TYR33125 1.0000 + 363 HB1 28.9338 -14.6187 32.2479 H 25 TYR33125 1.0000 + 364 HB2 29.2163 -15.9252 33.4233 H 25 TYR33125 1.0000 + 365 CG 27.4890 -14.7220 33.8280 C.ar 25 TYR33125 1.0000 + 366 CD1 27.4720 -15.0350 35.1780 C.ar 25 TYR33125 1.0000 + 367 HD1 28.1724 -15.7738 35.5675 H 25 TYR33125 1.0000 + 368 CD2 26.5830 -13.7840 33.3500 C.ar 25 TYR33125 1.0000 + 369 HD2 26.5776 -13.5291 32.2902 H 25 TYR33125 1.0000 + 370 CE1 26.5790 -14.4230 36.0370 C.ar 25 TYR33125 1.0000 + 371 HE1 26.5777 -14.6750 37.0975 H 25 TYR33125 1.0000 + 372 CE2 25.6910 -13.1730 34.2040 C.ar 25 TYR33125 1.0000 + 373 HE2 24.9853 -12.4366 33.8194 H 25 TYR33125 1.0000 + 374 CZ 25.6910 -13.4930 35.5450 C.ar 25 TYR33125 1.0000 + 375 OH 24.7910 -12.8720 36.3850 O.3 25 TYR33125 1.0000 + 376 HH 25.0039 -11.8654 36.4333 H 25 TYR33125 1.0000 + 377 N 27.2920 -18.4620 33.1650 N.am 26 ASP33226 1.0000 + 378 HN 28.2100 -18.7655 32.8098 H 26 ASP33226 1.0000 + 379 CA 26.5160 -19.3530 34.0270 C.3 26 ASP33226 1.0000 + 380 HA 25.5196 -19.4952 33.6087 H 26 ASP33226 1.0000 + 381 C 26.3920 -18.7440 35.4210 C.2 26 ASP33226 1.0000 + 382 O 27.3940 -18.5240 36.1000 O.2 26 ASP33226 1.0000 + 383 CB 27.1330 -20.7520 34.1100 C.3 26 ASP33226 1.0000 + 384 HB1 27.8837 -20.8192 34.8974 H 26 ASP33226 1.0000 + 385 HB2 27.6233 -21.0360 33.1789 H 26 ASP33226 1.0000 + 386 CG 26.0900 -21.8140 34.4020 C.2 26 ASP33226 1.0000 + 387 OD1 25.4600 -21.7400 35.4790 O.co2 26 ASP33226 1.0000 + 388 OD2 25.8790 -22.7280 33.5710 O.co2 26 ASP33226 1.0000 + 389 N 25.1510 -18.4800 35.8100 N.am 27 PRO33327 1.0000 + 390 CA 24.8620 -17.8280 37.0910 C.3 27 PRO33327 1.0000 + 391 HA 25.5949 -17.0510 37.3084 H 27 PRO33327 1.0000 + 392 C 24.8930 -18.8350 38.2370 C.2 27 PRO33327 1.0000 + 393 O 24.6050 -18.4940 39.3860 O.2 27 PRO33327 1.0000 + 394 CB 23.4510 -17.2920 36.8650 C.3 27 PRO33327 1.0000 + 395 HB1 23.6083 -16.3099 36.4191 H 27 PRO33327 1.0000 + 396 HB2 23.0138 -17.2660 37.8632 H 27 PRO33327 1.0000 + 397 CG 22.8230 -18.2940 35.9430 C.3 27 PRO33327 1.0000 + 398 HG1 22.0540 -17.7565 35.3883 H 27 PRO33327 1.0000 + 399 HG2 22.4093 -19.0758 36.5800 H 27 PRO33327 1.0000 + 400 CD 23.9240 -18.7960 35.0590 C.3 27 PRO33327 1.0000 + 401 HD1 23.8404 -19.8686 34.8839 H 27 PRO33327 1.0000 + 402 HD2 23.9208 -18.2955 34.0907 H 27 PRO33327 1.0000 + 403 N 25.2570 -20.0650 37.8890 N.am 28 THR33428 1.0000 + 404 HN 25.3908 -20.2530 36.8852 H 28 THR33428 1.0000 + 405 CA 25.4810 -21.1640 38.8090 C.3 28 THR33428 1.0000 + 406 HA 24.9125 -21.0110 39.7263 H 28 THR33428 1.0000 + 407 C 26.9660 -21.2640 39.1650 C.2 28 THR33428 1.0000 + 408 O 27.3240 -21.9130 40.1480 O.2 28 THR33428 1.0000 + 409 CB 25.0690 -22.5470 38.2650 C.3 28 THR33428 1.0000 + 410 HB 24.9699 -23.2830 39.0629 H 28 THR33428 1.0000 + 411 OG1 26.0530 -22.9880 37.3180 O.3 28 THR33428 1.0000 + 412 HG1 25.9904 -22.4144 36.4648 H 28 THR33428 1.0000 + 413 CG2 23.7360 -22.4940 37.5410 C.3 28 THR33428 1.0000 + 414 HG21 23.4819 -23.4881 37.1732 H 28 THR33428 1.0000 + 415 HG22 22.9620 -22.1527 38.2283 H 28 THR33428 1.0000 + 416 HG23 23.8055 -21.8031 36.7008 H 28 THR33428 1.0000 + 417 N 27.7880 -20.6210 38.3450 N.am 29 ARG33529 1.0000 + 418 HN 27.4040 -20.1173 37.5328 H 29 ARG33529 1.0000 + 419 CA 29.2310 -20.6180 38.5790 C.3 29 ARG33529 1.0000 + 420 HA 29.4929 -21.4460 39.2377 H 29 ARG33529 1.0000 + 421 C 29.6360 -19.3000 39.2310 C.2 29 ARG33529 1.0000 + 422 O 28.8900 -18.3200 39.1230 O.2 29 ARG33529 1.0000 + 423 CB 29.9730 -20.8880 37.2790 Du 29 ARG33529 1.0000 + 424 HB1 29.9681 -19.9883 36.6636 H 29 ARG33529 1.0000 + 425 HB2 31.0022 -21.1711 37.4995 H 29 ARG33529 1.0000 + 426 N 30.7860 -19.2620 39.8990 N.am 30 PRO33630 1.0000 + 427 CA 31.2120 -18.0750 40.6390 C.3 30 PRO33630 1.0000 + 428 HA 30.4110 -17.6480 41.2425 H 30 PRO33630 1.0000 + 429 C 31.6970 -16.9550 39.7220 C.2 30 PRO33630 1.0000 + 430 O 32.0780 -17.1740 38.5770 O.2 30 PRO33630 1.0000 + 431 CB 32.3910 -18.5820 41.4750 C.3 30 PRO33630 1.0000 + 432 HB1 32.0546 -18.9654 42.4383 H 30 PRO33630 1.0000 + 433 HB2 33.1088 -17.7846 41.6677 H 30 PRO33630 1.0000 + 434 CG 32.9680 -19.6590 40.6140 C.3 30 PRO33630 1.0000 + 435 HG1 33.5328 -20.2968 41.2939 H 30 PRO33630 1.0000 + 436 HG2 33.5936 -19.1401 39.8877 H 30 PRO33630 1.0000 + 437 CD 31.7820 -20.3480 39.9960 C.3 30 PRO33630 1.0000 + 438 HD1 32.0144 -20.7578 39.0131 H 30 PRO33630 1.0000 + 439 HD2 31.4147 -21.1646 40.6176 H 30 PRO33630 1.0000 + 440 N 31.6580 -15.7560 40.2910 N.am 31 PHE33731 1.0000 + 441 HN 31.4005 -15.6933 41.2863 H 31 PHE33731 1.0000 + 442 CA 31.9600 -14.5340 39.5790 C.3 31 PHE33731 1.0000 + 443 HA 31.6235 -14.5525 38.5424 H 31 PHE33731 1.0000 + 444 C 33.4460 -14.2330 39.5260 C.2 31 PHE33731 1.0000 + 445 O 33.8930 -13.3500 38.7950 O.2 31 PHE33731 1.0000 + 446 CB 31.2240 -13.3660 40.2520 C.3 31 PHE33731 1.0000 + 447 HB1 31.6984 -13.0733 41.1887 H 31 PHE33731 1.0000 + 448 HB2 30.1893 -13.6183 40.4842 H 31 PHE33731 1.0000 + 449 CG 31.1920 -12.1320 39.3660 C.ar 31 PHE33731 1.0000 + 450 CD1 30.5100 -12.1680 38.1630 C.ar 31 PHE33731 1.0000 + 451 HD1 29.9953 -13.0773 37.8527 H 31 PHE33731 1.0000 + 452 CD2 31.8460 -10.9780 39.7610 C.ar 31 PHE33731 1.0000 + 453 HD2 32.3877 -10.9568 40.7066 H 31 PHE33731 1.0000 + 454 CE1 30.4840 -11.0460 37.3560 C.ar 31 PHE33731 1.0000 + 455 HE1 29.9580 -11.0714 36.4016 H 31 PHE33731 1.0000 + 456 CE2 31.8140 -9.8530 38.9600 C.ar 31 PHE33731 1.0000 + 457 HE2 32.3265 -8.9423 39.2699 H 31 PHE33731 1.0000 + 458 CZ 31.1260 -9.8930 37.7620 C.ar 31 PHE33731 1.0000 + 459 HZ 31.0898 -9.0049 37.1310 H 31 PHE33731 1.0000 + 460 N 34.2570 -14.9530 40.3020 N.am 32 SER33832 1.0000 + 461 HN 33.8994 -15.7008 40.9134 H 32 SER33832 1.0000 + 462 CA 35.6850 -14.6240 40.2390 C.3 32 SER33832 1.0000 + 463 HA 35.8497 -13.5466 40.2537 H 32 SER33832 1.0000 + 464 C 36.3300 -15.1630 38.9660 C.2 32 SER33832 1.0000 + 465 O 37.4540 -14.7640 38.6460 O.2 32 SER33832 1.0000 + 466 CB 36.3910 -15.1620 41.4840 C.3 32 SER33832 1.0000 + 467 HB1 37.3547 -14.6638 41.5897 H 32 SER33832 1.0000 + 468 HB2 36.5390 -16.2362 41.3728 H 32 SER33832 1.0000 + 469 OG 35.5820 -14.9000 42.6270 O.3 32 SER33832 1.0000 + 470 HG 35.5653 -13.8868 42.8115 H 32 SER33832 1.0000 + 471 N 35.6160 -16.0380 38.2700 N.am 33 GLU33933 1.0000 + 472 HN 34.6495 -16.2081 38.5829 H 33 GLU33933 1.0000 + 473 CA 36.0710 -16.7740 37.1130 C.3 33 GLU33933 1.0000 + 474 HA 37.1539 -16.8782 37.1806 H 33 GLU33933 1.0000 + 475 C 35.7570 -16.1180 35.7740 C.2 33 GLU33933 1.0000 + 476 O 36.2980 -16.5460 34.7560 O.2 33 GLU33933 1.0000 + 477 CB 35.4190 -18.1680 37.0750 C.3 33 GLU33933 1.0000 + 478 HB1 34.4662 -18.1568 36.5457 H 33 GLU33933 1.0000 + 479 HB2 35.2219 -18.5520 38.0759 H 33 GLU33933 1.0000 + 480 CG 36.3040 -19.1900 36.3740 C.3 33 GLU33933 1.0000 + 481 HG1 37.3404 -18.8531 36.3513 H 33 GLU33933 1.0000 + 482 HG2 35.9754 -19.3459 35.3465 H 33 GLU33933 1.0000 + 483 CD 36.2570 -20.5280 37.0940 C.2 33 GLU33933 1.0000 + 484 OE1 35.1610 -21.1290 37.1000 O.co2 33 GLU33933 1.0000 + 485 OE2 37.2960 -20.9640 37.6380 O.co2 33 GLU33933 1.0000 + 486 N 34.8880 -15.1200 35.7830 N.am 34 ALA34034 1.0000 + 487 HN 34.4935 -14.7968 36.6779 H 34 ALA34034 1.0000 + 488 CA 34.4820 -14.4720 34.5400 C.3 34 ALA34034 1.0000 + 489 HA 34.6311 -15.1030 33.6638 H 34 ALA34034 1.0000 + 490 C 35.2510 -13.1880 34.2620 C.2 34 ALA34034 1.0000 + 491 O 35.5080 -12.3640 35.1390 O.2 34 ALA34034 1.0000 + 492 CB 32.9800 -14.1980 34.5760 C.3 34 ALA34034 1.0000 + 493 HB1 32.6761 -13.7140 33.6479 H 34 ALA34034 1.0000 + 494 HB2 32.4411 -15.1388 34.6879 H 34 ALA34034 1.0000 + 495 HB3 32.7493 -13.5453 35.4180 H 34 ALA34034 1.0000 + 496 N 35.6250 -13.0140 32.9970 N.am 35 SER34135 1.0000 + 497 HN 35.4764 -13.7718 32.3154 H 35 SER34135 1.0000 + 498 CA 36.2420 -11.7670 32.5610 C.3 35 SER34135 1.0000 + 499 HA 37.0007 -11.4670 33.2838 H 35 SER34135 1.0000 + 500 C 35.1750 -10.6830 32.4610 C.2 35 SER34135 1.0000 + 501 O 34.3140 -10.7690 31.5890 O.2 35 SER34135 1.0000 + 502 CB 36.9380 -11.9320 31.2140 C.3 35 SER34135 1.0000 + 503 HB1 36.2428 -12.1707 30.4091 H 35 SER34135 1.0000 + 504 HB2 37.6799 -12.7306 31.2202 H 35 SER34135 1.0000 + 505 OG 37.6230 -10.7620 30.8080 O.3 35 SER34135 1.0000 + 506 HG 38.5921 -10.7928 31.1556 H 35 SER34135 1.0000 + 507 N 35.2340 -9.6750 33.3310 N.am 36 MET34236 1.0000 + 508 HN 35.9525 -9.6403 34.0682 H 36 MET34236 1.0000 + 509 CA 34.2330 -8.6230 33.1900 C.3 36 MET34236 1.0000 + 510 HA 33.2188 -8.9938 33.3383 H 36 MET34236 1.0000 + 511 C 34.2600 -7.9800 31.8100 C.2 36 MET34236 1.0000 + 512 O 33.1840 -7.7140 31.2630 O.2 36 MET34236 1.0000 + 513 CB 34.3990 -7.5400 34.2590 C.3 36 MET34236 1.0000 + 514 HB1 35.2015 -6.8522 33.9924 H 36 MET34236 1.0000 + 515 HB2 34.6401 -7.9831 35.2253 H 36 MET34236 1.0000 + 516 CG 33.1140 -6.7310 34.4160 C.3 36 MET34236 1.0000 + 517 HG1 32.2197 -7.3479 34.3278 H 36 MET34236 1.0000 + 518 HG2 33.0205 -5.9473 33.6642 H 36 MET34236 1.0000 + 519 SD 33.0070 -5.9100 36.0200 S.3 36 MET34236 1.0000 + 520 CE 34.7340 -5.8810 36.4980 C.3 36 MET34236 1.0000 + 521 HE1 34.8339 -5.4025 37.4723 H 36 MET34236 1.0000 + 522 HE2 35.1131 -6.9014 36.5543 H 36 MET34236 1.0000 + 523 HE3 35.3068 -5.3214 35.7585 H 36 MET34236 1.0000 + 524 N 35.4380 -7.7290 31.2410 N.am 37 MET34337 1.0000 + 525 HN 36.3096 -8.0174 31.7080 H 37 MET34337 1.0000 + 526 CA 35.4890 -7.0430 29.9520 C.3 37 MET34337 1.0000 + 527 HA 34.9063 -6.1223 29.9839 H 37 MET34337 1.0000 + 528 C 34.9220 -7.9310 28.8480 C.2 37 MET34337 1.0000 + 529 O 34.2390 -7.4260 27.9560 O.2 37 MET34337 1.0000 + 530 CB 36.8960 -6.5930 29.5630 C.3 37 MET34337 1.0000 + 531 HB1 37.5357 -7.4102 29.2298 H 37 MET34337 1.0000 + 532 HB2 37.4400 -6.1176 30.3792 H 37 MET34337 1.0000 + 533 CG 36.9150 -5.5770 28.4220 C.3 37 MET34337 1.0000 + 534 HG1 36.3225 -5.8921 27.5631 H 37 MET34337 1.0000 + 535 HG2 37.9176 -5.3885 28.0381 H 37 MET34337 1.0000 + 536 SD 36.2610 -3.9620 28.9060 S.3 37 MET34337 1.0000 + 537 CE 35.9030 -3.2520 27.3040 C.3 37 MET34337 1.0000 + 538 HE1 35.4911 -2.2512 27.4334 H 37 MET34337 1.0000 + 539 HE2 36.8206 -3.1938 26.7185 H 37 MET34337 1.0000 + 540 HE3 35.1788 -3.8777 26.7823 H 37 MET34337 1.0000 + 541 N 35.2120 -9.2240 28.9440 N.am 38 GLY34438 1.0000 + 542 HN 35.8661 -9.5358 29.6760 H 38 GLY34438 1.0000 + 543 CA 34.6360 -10.2100 28.0500 C.3 38 GLY34438 1.0000 + 544 HA1 35.0200 -11.2065 28.2681 H 38 GLY34438 1.0000 + 545 HA2 34.8718 -9.9801 27.0109 H 38 GLY34438 1.0000 + 546 C 33.1180 -10.2520 28.1880 C.2 38 GLY34438 1.0000 + 547 O 32.4090 -10.2810 27.1750 O.2 38 GLY34438 1.0000 + 548 N 32.6330 -10.2470 29.4330 N.am 39 LEU34539 1.0000 + 549 HN 33.2853 -10.3127 30.2274 H 39 LEU34539 1.0000 + 550 CA 31.2070 -10.1510 29.6920 C.3 39 LEU34539 1.0000 + 551 HA 30.6463 -10.9738 29.2485 H 39 LEU34539 1.0000 + 552 C 30.5950 -8.8630 29.1320 C.2 39 LEU34539 1.0000 + 553 O 29.5400 -8.9100 28.5000 O.2 39 LEU34539 1.0000 + 554 CB 30.9560 -10.2060 31.1940 C.3 39 LEU34539 1.0000 + 555 HB1 30.0057 -9.7042 31.3764 H 39 LEU34539 1.0000 + 556 HB2 31.7866 -9.6890 31.6745 H 39 LEU34539 1.0000 + 557 CG 30.8510 -11.5560 31.8900 C.3 39 LEU34539 1.0000 + 558 HG 31.8327 -12.0295 31.9016 H 39 LEU34539 1.0000 + 559 CD1 30.3620 -11.3450 33.3200 C.3 39 LEU34539 1.0000 + 560 HD11 30.2847 -12.3084 33.8240 H 39 LEU34539 1.0000 + 561 HD12 31.0680 -10.7107 33.8561 H 39 LEU34539 1.0000 + 562 HD13 29.3836 -10.8649 33.3028 H 39 LEU34539 1.0000 + 563 CD2 29.9220 -12.4870 31.1360 C.3 39 LEU34539 1.0000 + 564 HD21 29.8656 -13.4437 31.6552 H 39 LEU34539 1.0000 + 565 HD22 28.9275 -12.0440 31.0827 H 39 LEU34539 1.0000 + 566 HD23 30.3040 -12.6436 30.1272 H 39 LEU34539 1.0000 + 567 N 31.2010 -7.7060 29.3330 N.am 40 LEU34640 1.0000 + 568 HN 32.0561 -7.7070 29.9072 H 40 LEU34640 1.0000 + 569 CA 30.7460 -6.4320 28.8010 C.3 40 LEU34640 1.0000 + 570 HA 29.6908 -6.2611 29.0144 H 40 LEU34640 1.0000 + 571 C 30.9180 -6.3610 27.2850 C.2 40 LEU34640 1.0000 + 572 O 30.0360 -5.8920 26.5590 O.2 40 LEU34640 1.0000 + 573 CB 31.5000 -5.2600 29.4300 C.3 40 LEU34640 1.0000 + 574 HB1 31.1294 -4.3463 28.9654 H 40 LEU34640 1.0000 + 575 HB2 32.5608 -5.4078 29.2275 H 40 LEU34640 1.0000 + 576 CG 31.3720 -5.0590 30.9430 C.3 40 LEU34640 1.0000 + 577 HG 31.6790 -5.9637 31.4677 H 40 LEU34640 1.0000 + 578 CD1 32.2560 -3.9050 31.3930 C.3 40 LEU34640 1.0000 + 579 HD11 32.1579 -3.7701 32.4702 H 40 LEU34640 1.0000 + 580 HD12 33.2950 -4.1256 31.1481 H 40 LEU34640 1.0000 + 581 HD13 31.9492 -2.9915 30.8836 H 40 LEU34640 1.0000 + 582 CD2 29.9220 -4.8550 31.3460 C.3 40 LEU34640 1.0000 + 583 HD21 29.8606 -4.7148 32.4252 H 40 LEU34640 1.0000 + 584 HD22 29.5250 -3.9736 30.8425 H 40 LEU34640 1.0000 + 585 HD23 29.3383 -5.7300 31.0600 H 40 LEU34640 1.0000 + 586 N 32.0610 -6.8410 26.7910 N.am 41 THR34741 1.0000 + 587 HN 32.7804 -7.2356 27.4136 H 41 THR34741 1.0000 + 588 CA 32.2670 -6.7930 25.3440 C.3 41 THR34741 1.0000 + 589 HA 32.2133 -5.7689 24.9746 H 41 THR34741 1.0000 + 590 C 31.2110 -7.6070 24.6150 C.2 41 THR34741 1.0000 + 591 O 30.6410 -7.1710 23.6210 O.2 41 THR34741 1.0000 + 592 CB 33.6510 -7.3270 24.9410 C.3 41 THR34741 1.0000 + 593 HB 33.7941 -8.3413 25.3137 H 41 THR34741 1.0000 + 594 OG1 34.6520 -6.4360 25.4440 O.3 41 THR34741 1.0000 + 595 HG1 35.4968 -6.5022 24.8585 H 41 THR34741 1.0000 + 596 CG2 33.7960 -7.3490 23.4280 C.3 41 THR34741 1.0000 + 597 HG21 34.7821 -7.7300 23.1625 H 41 THR34741 1.0000 + 598 HG22 33.0299 -7.9945 22.9984 H 41 THR34741 1.0000 + 599 HG23 33.6801 -6.3383 23.0366 H 41 THR34741 1.0000 + 600 N 30.9800 -8.8080 25.1320 N.am 42 ASN34842 1.0000 + 601 HN 31.4719 -9.0901 25.9919 H 42 ASN34842 1.0000 + 602 CA 30.0450 -9.7350 24.5080 C.3 42 ASN34842 1.0000 + 603 HA 30.2873 -9.9218 23.4618 H 42 ASN34842 1.0000 + 604 C 28.6160 -9.2160 24.5380 C.2 42 ASN34842 1.0000 + 605 O 27.8560 -9.4440 23.5910 O.2 42 ASN34842 1.0000 + 606 CB 30.1530 -11.1010 25.1980 C.3 42 ASN34842 1.0000 + 607 HB1 29.1833 -11.5964 25.2464 H 42 ASN34842 1.0000 + 608 HB2 30.5239 -10.9996 26.2179 H 42 ASN34842 1.0000 + 609 CG 31.1050 -12.0220 24.4500 C.2 42 ASN34842 1.0000 + 610 OD1 30.6670 -12.8410 23.6380 O.2 42 ASN34842 1.0000 + 611 ND2 32.4030 -11.8860 24.7120 N.am 42 ASN34842 1.0000 + 612 HD21 32.7192 -11.1869 25.3991 H 42 ASN34842 1.0000 + 613 HD22 33.0911 -12.4800 24.2277 H 42 ASN34842 1.0000 + 614 N 28.2590 -8.5240 25.6150 N.am 43 LEU34943 1.0000 + 615 HN 28.9258 -8.4611 26.3975 H 43 LEU34943 1.0000 + 616 CA 26.9770 -7.8510 25.7470 C.3 43 LEU34943 1.0000 + 617 HA 26.1675 -8.5651 25.5954 H 43 LEU34943 1.0000 + 618 C 26.8660 -6.7410 24.7060 C.2 43 LEU34943 1.0000 + 619 O 25.8860 -6.6220 23.9800 O.2 43 LEU34943 1.0000 + 620 CB 26.8420 -7.2710 27.1500 C.3 43 LEU34943 1.0000 + 621 HB1 27.4182 -6.3458 27.1644 H 43 LEU34943 1.0000 + 622 HB2 27.2449 -8.0146 27.8376 H 43 LEU34943 1.0000 + 623 CG 25.4730 -6.9050 27.7050 C.3 43 LEU34943 1.0000 + 624 HG 25.4650 -5.8372 27.9236 H 43 LEU34943 1.0000 + 625 CD1 24.3230 -7.1930 26.7520 C.3 43 LEU34943 1.0000 + 626 HD11 23.3817 -6.9050 27.2201 H 43 LEU34943 1.0000 + 627 HD12 24.4605 -6.6231 25.8331 H 43 LEU34943 1.0000 + 628 HD13 24.3015 -8.2576 26.5189 H 43 LEU34943 1.0000 + 629 CD2 25.2460 -7.6680 29.0100 C.3 43 LEU34943 1.0000 + 630 HD21 24.2671 -7.4122 29.4155 H 43 LEU34943 1.0000 + 631 HD22 25.2900 -8.7399 28.8171 H 43 LEU34943 1.0000 + 632 HD23 26.0188 -7.3968 29.7292 H 43 LEU34943 1.0000 + 633 N 27.8890 -5.9030 24.6180 N.am 44 ALA35044 1.0000 + 634 HN 28.7139 -6.0430 25.2188 H 44 ALA35044 1.0000 + 635 CA 27.8620 -4.7820 23.6790 C.3 44 ALA35044 1.0000 + 636 HA 27.0400 -4.0934 23.8745 H 44 ALA35044 1.0000 + 637 C 27.7040 -5.2350 22.2350 C.2 44 ALA35044 1.0000 + 638 O 26.9280 -4.7000 21.4350 O.2 44 ALA35044 1.0000 + 639 CB 29.1390 -3.9690 23.8890 C.3 44 ALA35044 1.0000 + 640 HB1 29.1491 -3.1232 23.2015 H 44 ALA35044 1.0000 + 641 HB2 29.1726 -3.6029 24.9151 H 44 ALA35044 1.0000 + 642 HB3 30.0074 -4.6003 23.7004 H 44 ALA35044 1.0000 + 643 N 28.4590 -6.2530 21.8410 N.am 45 ASP35145 1.0000 + 644 HN 29.1482 -6.6436 22.4993 H 45 ASP35145 1.0000 + 645 CA 28.3480 -6.8400 20.5070 C.3 45 ASP35145 1.0000 + 646 HA 28.6405 -6.1500 19.7155 H 45 ASP35145 1.0000 + 647 C 26.9340 -7.2810 20.1730 C.2 45 ASP35145 1.0000 + 648 O 26.4260 -7.0590 19.0770 O.2 45 ASP35145 1.0000 + 649 CB 29.3200 -8.0250 20.4270 C.3 45 ASP35145 1.0000 + 650 HB1 29.0564 -8.6624 19.5830 H 45 ASP35145 1.0000 + 651 HB2 29.2670 -8.6087 21.3460 H 45 ASP35145 1.0000 + 652 CG 30.7390 -7.5150 20.2420 C.2 45 ASP35145 1.0000 + 653 OD1 30.8550 -6.3030 19.9550 O.co2 45 ASP35145 1.0000 + 654 OD2 31.6940 -8.3000 20.3720 O.co2 45 ASP35145 1.0000 + 655 N 26.2170 -7.9290 21.0950 N.am 46 ARG35246 1.0000 + 656 HN 26.6056 -8.0871 22.0357 H 46 ARG35246 1.0000 + 657 CA 24.8830 -8.4110 20.7640 C.3 46 ARG35246 1.0000 + 658 HA 24.8692 -8.9384 19.8102 H 46 ARG35246 1.0000 + 659 C 23.8800 -7.2690 20.6590 C.2 46 ARG35246 1.0000 + 660 O 22.8740 -7.4630 19.9740 O.2 46 ARG35246 1.0000 + 661 CB 24.3100 -9.3850 21.7990 C.3 46 ARG35246 1.0000 + 662 HB1 23.2259 -9.2718 21.7944 H 46 ARG35246 1.0000 + 663 HB2 24.7305 -9.1209 22.7693 H 46 ARG35246 1.0000 + 664 CG 24.5950 -10.8570 21.5870 C.3 46 ARG35246 1.0000 + 665 HG1 25.6727 -11.0168 21.5523 H 46 ARG35246 1.0000 + 666 HG2 24.1488 -11.1814 20.6469 H 46 ARG35246 1.0000 + 667 CD 23.9980 -11.6610 22.7380 C.3 46 ARG35246 1.0000 + 668 HD1 23.8931 -12.7189 22.4974 H 46 ARG35246 1.0000 + 669 HD2 23.0047 -11.3117 23.0197 H 46 ARG35246 1.0000 + 670 NE 24.8150 -11.5950 23.9500 N.pl3 46 ARG35246 1.0000 + 671 HE 25.8285 -11.7649 23.8812 H 46 ARG35246 1.0000 + 672 CZ 24.2830 -11.3210 25.1400 C.cat 46 ARG35246 1.0000 + 673 NH1 22.9760 -11.1090 25.1650 N.pl3 46 ARG35246 1.0000 + 674 HH11 22.5064 -10.8925 26.0558 H 46 ARG35246 1.0000 + 675 HH12 22.4292 -11.1605 24.2937 H 46 ARG35246 1.0000 + 676 NH2 25.0300 -11.2650 26.2360 N.pl3 46 ARG35246 1.0000 + 677 HH21 24.5954 -11.0512 27.1450 H 46 ARG35246 1.0000 + 678 HH22 26.0441 -11.4354 26.1773 H 46 ARG35246 1.0000 + 679 N 24.1560 -6.1660 21.3550 N.am 47 GLU35347 1.0000 + 680 HN 25.0121 -6.1151 21.9255 H 47 GLU35347 1.0000 + 681 CA 23.2370 -5.0270 21.3050 C.3 47 GLU35347 1.0000 + 682 HA 22.2146 -5.3754 21.4513 H 47 GLU35347 1.0000 + 683 C 23.3470 -4.3410 19.9500 C.2 47 GLU35347 1.0000 + 684 O 22.4270 -3.7250 19.4170 O.2 47 GLU35347 1.0000 + 685 CB 23.5210 -4.0500 22.4400 C.3 47 GLU35347 1.0000 + 686 HB1 23.1166 -3.0766 22.1624 H 47 GLU35347 1.0000 + 687 HB2 24.6005 -3.9921 22.5791 H 47 GLU35347 1.0000 + 688 CG 22.9040 -4.4420 23.7760 C.3 47 GLU35347 1.0000 + 689 HG1 23.2724 -5.4017 24.1384 H 47 GLU35347 1.0000 + 690 HG2 21.8188 -4.5298 23.7230 H 47 GLU35347 1.0000 + 691 CD 23.1980 -3.4320 24.8670 C.2 47 GLU35347 1.0000 + 692 OE1 22.3830 -2.5100 25.0740 O.co2 47 GLU35347 1.0000 + 693 OE2 24.2570 -3.5530 25.5100 O.co2 47 GLU35347 1.0000 + 694 N 24.5410 -4.4740 19.3700 N.am 48 LEU35448 1.0000 + 695 HN 25.2710 -5.0608 19.7986 H 48 LEU35448 1.0000 + 696 CA 24.7920 -3.7700 18.1140 C.3 48 LEU35448 1.0000 + 697 HA 24.6902 -2.6919 18.2385 H 48 LEU35448 1.0000 + 698 C 23.8130 -4.2040 17.0340 C.2 48 LEU35448 1.0000 + 699 O 23.2870 -3.3960 16.2750 O.2 48 LEU35448 1.0000 + 700 CB 26.2390 -3.9910 17.6690 C.3 48 LEU35448 1.0000 + 701 HB1 26.3536 -5.0383 17.3896 H 48 LEU35448 1.0000 + 702 HB2 26.8943 -3.7412 18.5034 H 48 LEU35448 1.0000 + 703 CG 26.6740 -3.1410 16.4680 C.3 48 LEU35448 1.0000 + 704 HG 26.0177 -3.3246 15.6173 H 48 LEU35448 1.0000 + 705 CD1 26.6130 -1.6600 16.8190 C.3 48 LEU35448 1.0000 + 706 HD11 26.9242 -1.0688 15.9577 H 48 LEU35448 1.0000 + 707 HD12 25.5924 -1.3927 17.0928 H 48 LEU35448 1.0000 + 708 HD13 27.2787 -1.4572 17.6580 H 48 LEU35448 1.0000 + 709 CD2 28.0510 -3.5730 15.9960 C.3 48 LEU35448 1.0000 + 710 HD21 28.3510 -2.9639 15.1433 H 48 LEU35448 1.0000 + 711 HD22 28.7700 -3.4439 16.8050 H 48 LEU35448 1.0000 + 712 HD23 28.0219 -4.6217 15.7004 H 48 LEU35448 1.0000 + 713 N 23.5550 -5.5050 16.9620 N.am 49 VAL35549 1.0000 + 714 HN 24.0319 -6.1608 17.5971 H 49 VAL35549 1.0000 + 715 CA 22.5930 -6.0060 15.9800 C.3 49 VAL35549 1.0000 + 716 HA 22.9348 -5.8039 14.9649 H 49 VAL35549 1.0000 + 717 C 21.2460 -5.3450 16.1620 C.2 49 VAL35549 1.0000 + 718 O 20.6220 -4.8420 15.2310 O.2 49 VAL35549 1.0000 + 719 CB 22.4650 -7.5350 16.1290 C.3 49 VAL35549 1.0000 + 720 HB 21.7531 -7.7916 16.9135 H 49 VAL35549 1.0000 + 721 CG1 21.9860 -8.1660 14.8390 C.3 49 VAL35549 1.0000 + 722 HG11 21.9039 -9.2450 14.9703 H 49 VAL35549 1.0000 + 723 HG12 21.0107 -7.7575 14.5743 H 49 VAL35549 1.0000 + 724 HG13 22.6980 -7.9506 14.0423 H 49 VAL35549 1.0000 + 725 CG2 23.8140 -8.0870 16.5620 C.3 49 VAL35549 1.0000 + 726 HG21 23.7455 -9.1691 16.6735 H 49 VAL35549 1.0000 + 727 HG22 24.5643 -7.8466 15.8087 H 49 VAL35549 1.0000 + 728 HG23 24.1006 -7.6415 17.5146 H 49 VAL35549 1.0000 + 729 N 20.7870 -5.3400 17.4180 N.am 50 HIS35650 1.0000 + 730 HN 21.3282 -5.7755 18.1785 H 50 HIS35650 1.0000 + 731 CA 19.5030 -4.7040 17.6860 C.3 50 HIS35650 1.0000 + 732 HA 18.7087 -5.1034 17.0554 H 50 HIS35650 1.0000 + 733 C 19.5460 -3.2060 17.4400 C.2 50 HIS35650 1.0000 + 734 O 18.5190 -2.5860 17.1470 O.2 50 HIS35650 1.0000 + 735 CB 19.0850 -5.0260 19.1270 C.3 50 HIS35650 1.0000 + 736 HB1 18.1283 -4.5701 19.3819 H 50 HIS35650 1.0000 + 737 HB2 19.8153 -4.6633 19.8504 H 50 HIS35650 1.0000 + 738 CG 18.9420 -6.5030 19.3480 C.ar 50 HIS35650 1.0000 + 739 ND1 17.7250 -7.1400 19.3280 N.ar 50 HIS35650 1.0000 + 740 CD2 19.8640 -7.4730 19.5740 C.ar 50 HIS35650 1.0000 + 741 HD2 20.9429 -7.3348 19.6441 H 50 HIS35650 1.0000 + 742 CE1 17.8950 -8.4310 19.5380 C.ar 50 HIS35650 1.0000 + 743 HE1 17.1046 -9.1807 19.5735 H 50 HIS35650 1.0000 + 744 NE2 19.1860 -8.6610 19.6980 N.ar 50 HIS35650 1.0000 + 745 HE2 19.6134 -9.5793 19.8848 H 50 HIS35650 1.0000 + 746 N 20.7190 -2.5800 17.5480 N.am 51 MET35751 1.0000 + 747 HN 21.5786 -3.1074 17.7571 H 51 MET35751 1.0000 + 748 CA 20.7600 -1.1260 17.3630 C.3 51 MET35751 1.0000 + 749 HA 20.0021 -0.6457 17.9819 H 51 MET35751 1.0000 + 750 C 20.4950 -0.7720 15.9020 C.2 51 MET35751 1.0000 + 751 O 19.7620 0.1510 15.5820 O.2 51 MET35751 1.0000 + 752 CB 22.1030 -0.5620 17.8240 C.3 51 MET35751 1.0000 + 753 HB1 22.8944 -1.0978 17.2999 H 51 MET35751 1.0000 + 754 HB2 22.1828 -0.7118 18.9007 H 51 MET35751 1.0000 + 755 CG 22.3000 0.9250 17.5530 C.3 51 MET35751 1.0000 + 756 HG1 21.6692 1.5413 18.1936 H 51 MET35751 1.0000 + 757 HG2 22.0580 1.1853 16.5226 H 51 MET35751 1.0000 + 758 SD 24.0050 1.4400 17.8400 S.3 51 MET35751 1.0000 + 759 CE 24.3000 0.6950 19.4390 C.3 51 MET35751 1.0000 + 760 HE1 25.3162 0.9195 19.7631 H 51 MET35751 1.0000 + 761 HE2 23.5912 1.0959 20.1635 H 51 MET35751 1.0000 + 762 HE3 24.1727 -0.3851 19.3662 H 51 MET35751 1.0000 + 763 N 21.1030 -1.5460 15.0190 N.am 52 ILE35852 1.0000 + 764 HN 21.7291 -2.2808 15.3781 H 52 ILE35852 1.0000 + 765 CA 20.9510 -1.4340 13.5780 C.3 52 ILE35852 1.0000 + 766 HA 21.3184 -0.4816 13.1958 H 52 ILE35852 1.0000 + 767 C 19.5010 -1.5430 13.1410 C.2 52 ILE35852 1.0000 + 768 O 19.0480 -0.8400 12.2360 O.2 52 ILE35852 1.0000 + 769 CB 21.7970 -2.5380 12.9040 C.3 52 ILE35852 1.0000 + 770 HB 21.6382 -3.4931 13.4048 H 52 ILE35852 1.0000 + 771 CG1 23.3020 -2.3280 13.0810 C.3 52 ILE35852 1.0000 + 772 HG11 23.7891 -3.3006 13.0114 H 52 ILE35852 1.0000 + 773 HG12 23.4675 -1.8803 14.0609 H 52 ILE35852 1.0000 + 774 CG2 21.4060 -2.6820 11.4490 C.3 52 ILE35852 1.0000 + 775 HG21 22.0092 -3.4628 10.9857 H 52 ILE35852 1.0000 + 776 HG22 20.3515 -2.9494 11.3804 H 52 ILE35852 1.0000 + 777 HG23 21.5753 -1.7377 10.9316 H 52 ILE35852 1.0000 + 778 CD1 23.9510 -1.4280 12.0620 C.3 52 ILE35852 1.0000 + 779 HD11 25.0165 -1.3449 12.2761 H 52 ILE35852 1.0000 + 780 HD12 23.8128 -1.8475 11.0655 H 52 ILE35852 1.0000 + 781 HD13 23.4939 -0.4394 12.1061 H 52 ILE35852 1.0000 + 782 N 18.7380 -2.4230 13.7870 N.am 53 ASN35953 1.0000 + 783 HN 19.1556 -2.9947 14.5351 H 53 ASN35953 1.0000 + 784 CA 17.3310 -2.5980 13.4640 C.3 53 ASN35953 1.0000 + 785 HA 17.1909 -2.6770 12.3859 H 53 ASN35953 1.0000 + 786 C 16.5070 -1.4060 13.9700 C.2 53 ASN35953 1.0000 + 787 O 15.5740 -0.9710 13.2900 O.2 53 ASN35953 1.0000 + 788 CB 16.7350 -3.8620 14.0660 C.3 53 ASN35953 1.0000 + 789 HB1 15.6861 -3.8997 13.7720 H 53 ASN35953 1.0000 + 790 HB2 16.8436 -3.7900 15.1482 H 53 ASN35953 1.0000 + 791 CG 17.3360 -5.1860 13.6660 C.2 53 ASN35953 1.0000 + 792 OD1 18.1200 -5.3380 12.7300 O.2 53 ASN35953 1.0000 + 793 ND2 16.9590 -6.2200 14.4200 N.am 53 ASN35953 1.0000 + 794 HD21 16.3019 -6.0761 15.2000 H 53 ASN35953 1.0000 + 795 HD22 17.3250 -7.1622 14.2221 H 53 ASN35953 1.0000 + 796 N 16.8740 -0.9330 15.1570 N.am 54 TRP36054 1.0000 + 797 HN 17.6365 -1.3986 15.6696 H 54 TRP36054 1.0000 + 798 CA 16.2210 0.2330 15.7530 C.3 54 TRP36054 1.0000 + 799 HA 15.1618 0.0324 15.9144 H 54 TRP36054 1.0000 + 800 C 16.3520 1.4360 14.8370 C.2 54 TRP36054 1.0000 + 801 O 15.4310 2.1910 14.5330 O.2 54 TRP36054 1.0000 + 802 CB 16.8560 0.5190 17.1140 C.3 54 TRP36054 1.0000 + 803 HB1 17.9342 0.3949 17.0134 H 54 TRP36054 1.0000 + 804 HB2 16.4463 -0.1924 17.8311 H 54 TRP36054 1.0000 + 805 CG 16.6210 1.8870 17.6690 C.ar 54 TRP36054 1.0000 + 806 CD1 15.5140 2.3280 18.3290 C.ar 54 TRP36054 1.0000 + 807 HD1 14.6324 1.7228 18.5404 H 54 TRP36054 1.0000 + 808 CD2 17.5210 2.9980 17.6220 C.ar 54 TRP36054 1.0000 + 809 NE1 15.6680 3.6480 18.6910 N.ar 54 TRP36054 1.0000 + 810 HE1 14.9733 4.2157 19.1970 H 54 TRP36054 1.0000 + 811 CE2 16.8960 4.0820 18.2680 C.ar 54 TRP36054 1.0000 + 812 CE3 18.8000 3.1750 17.0890 C.ar 54 TRP36054 1.0000 + 813 HE3 19.3114 2.3565 16.5824 H 54 TRP36054 1.0000 + 814 CZ2 17.5030 5.3340 18.4010 C.ar 54 TRP36054 1.0000 + 815 HZ2 17.0048 6.1617 18.9057 H 54 TRP36054 1.0000 + 816 CZ3 19.4010 4.4110 17.2190 C.ar 54 TRP36054 1.0000 + 817 HZ3 20.3992 4.5656 16.8094 H 54 TRP36054 1.0000 + 818 CH2 18.7550 5.4670 17.8650 C.ar 54 TRP36054 1.0000 + 819 HH2 19.2640 6.4275 17.9448 H 54 TRP36054 1.0000 + 820 N 17.5930 1.6090 14.3700 N.am 55 ALA36155 1.0000 + 821 HN 18.3246 0.9109 14.5655 H 55 ALA36155 1.0000 + 822 CA 17.9000 2.7980 13.5800 C.3 55 ALA36155 1.0000 + 823 HA 17.6452 3.6989 14.1381 H 55 ALA36155 1.0000 + 824 C 17.1060 2.7890 12.2830 C.2 55 ALA36155 1.0000 + 825 O 16.7490 3.8470 11.7610 O.2 55 ALA36155 1.0000 + 826 CB 19.3980 2.8960 13.3460 C.3 55 ALA36155 1.0000 + 827 HB1 19.6166 3.7860 12.7559 H 55 ALA36155 1.0000 + 828 HB2 19.9125 2.9609 14.3047 H 55 ALA36155 1.0000 + 829 HB3 19.7410 2.0115 12.8092 H 55 ALA36155 1.0000 + 830 N 16.8200 1.6060 11.7470 N.am 56 LYS36256 1.0000 + 831 HN 17.1318 0.7323 12.1946 H 56 LYS36256 1.0000 + 832 CA 16.0470 1.5810 10.4990 C.3 56 LYS36256 1.0000 + 833 HA 16.4946 2.2726 9.7853 H 56 LYS36256 1.0000 + 834 C 14.6120 2.0000 10.7890 C.2 56 LYS36256 1.0000 + 835 O 13.8740 2.3860 9.8780 O.2 56 LYS36256 1.0000 + 836 CB 16.0910 0.2110 9.8310 C.3 56 LYS36256 1.0000 + 837 HB1 15.5592 0.1771 8.8801 H 56 LYS36256 1.0000 + 838 HB2 15.6486 -0.5794 10.4374 H 56 LYS36256 1.0000 + 839 CG 17.5070 -0.2640 9.5190 C.3 56 LYS36256 1.0000 + 840 HG1 18.0197 -0.6036 10.4189 H 56 LYS36256 1.0000 + 841 HG2 18.1068 0.5342 9.0818 H 56 LYS36256 1.0000 + 842 CD 17.4990 -1.4210 8.5340 C.3 56 LYS36256 1.0000 + 843 HD1 16.7154 -1.3292 7.7819 H 56 LYS36256 1.0000 + 844 HD2 17.3400 -2.3851 9.0171 H 56 LYS36256 1.0000 + 845 CE 18.8030 -1.5480 7.7660 C.3 56 LYS36256 1.0000 + 846 HE1 18.8521 -2.4280 7.1247 H 56 LYS36256 1.0000 + 847 HE2 19.6842 -1.6186 8.4037 H 56 LYS36256 1.0000 + 848 NZ 19.0810 -0.3990 6.8580 N.4 56 LYS36256 1.0000 + 849 HZ1 19.9765 -0.5530 6.3729 H 56 LYS36256 1.0000 + 850 HZ2 18.3244 -0.3185 6.1638 H 56 LYS36256 1.0000 + 851 HZ3 19.1345 0.4696 7.4090 H 56 LYS36256 1.0000 + 852 N 14.2230 1.9460 12.0700 N.am 57 ARG36357 1.0000 + 853 HN 14.8663 1.6465 12.8166 H 57 ARG36357 1.0000 + 854 CA 12.8360 2.3340 12.3600 C.3 57 ARG36357 1.0000 + 855 HA 12.1872 2.2437 11.4888 H 57 ARG36357 1.0000 + 856 C 12.7220 3.7730 12.8290 C.2 57 ARG36357 1.0000 + 857 O 11.6280 4.2320 13.1410 O.2 57 ARG36357 1.0000 + 858 CB 12.2430 1.3670 13.3870 C.3 57 ARG36357 1.0000 + 859 HB1 11.1829 1.5686 13.5410 H 57 ARG36357 1.0000 + 860 HB2 12.7497 1.4641 14.3472 H 57 ARG36357 1.0000 + 861 CG 12.3890 -0.0850 12.9150 C.3 57 ARG36357 1.0000 + 862 HG1 13.4495 -0.3233 12.8328 H 57 ARG36357 1.0000 + 863 HG2 11.9051 -0.1896 11.9439 H 57 ARG36357 1.0000 + 864 CD 11.7230 -1.0030 13.9340 C.3 57 ARG36357 1.0000 + 865 HD1 12.4299 -1.2250 14.7334 H 57 ARG36357 1.0000 + 866 HD2 11.4225 -1.9279 13.4417 H 57 ARG36357 1.0000 + 867 NE 10.5400 -0.3310 14.4910 N.pl3 57 ARG36357 1.0000 + 868 HE 10.5122 0.6984 14.5119 H 57 ARG36357 1.0000 + 869 CZ 9.5040 -1.0160 14.9690 C.cat 57 ARG36357 1.0000 + 870 NH1 9.5680 -2.3420 14.9280 N.pl3 57 ARG36357 1.0000 + 871 HH11 8.7857 -2.9067 15.2885 H 57 ARG36357 1.0000 + 872 HH12 10.3999 -2.8055 14.5356 H 57 ARG36357 1.0000 + 873 NH2 8.4430 -0.3970 15.4690 N.pl3 57 ARG36357 1.0000 + 874 HH21 7.6513 -0.9455 15.8341 H 57 ARG36357 1.0000 + 875 HH22 8.4107 0.6322 15.4923 H 57 ARG36357 1.0000 + 876 N 13.8530 4.4810 12.8740 N.am 58 VAL36458 1.0000 + 877 HN 14.7556 4.0193 12.6920 H 58 VAL36458 1.0000 + 878 CA 13.8140 5.9060 13.1800 C.3 58 VAL36458 1.0000 + 879 HA 13.1022 6.0793 13.9871 H 58 VAL36458 1.0000 + 880 C 13.3800 6.6740 11.9350 C.2 58 VAL36458 1.0000 + 881 O 13.9890 6.5340 10.8720 O.2 58 VAL36458 1.0000 + 882 CB 15.1710 6.4410 13.6660 C.3 58 VAL36458 1.0000 + 883 HB 15.9611 6.1435 12.9766 H 58 VAL36458 1.0000 + 884 CG1 15.1380 7.9570 13.7460 C.3 58 VAL36458 1.0000 + 885 HG11 16.1044 8.3243 14.0913 H 58 VAL36458 1.0000 + 886 HG12 14.9247 8.3689 12.7596 H 58 VAL36458 1.0000 + 887 HG13 14.3611 8.2677 14.4446 H 58 VAL36458 1.0000 + 888 CG2 15.5290 5.8320 15.0160 C.3 58 VAL36458 1.0000 + 889 HG21 16.4922 6.2206 15.3465 H 58 VAL36458 1.0000 + 890 HG22 14.7630 6.0914 15.7468 H 58 VAL36458 1.0000 + 891 HG23 15.5882 4.7477 14.9218 H 58 VAL36458 1.0000 + 892 N 12.3340 7.4670 12.0840 N.am 59 PRO36559 1.0000 + 893 CA 11.8070 8.2700 10.9770 C.3 59 PRO36559 1.0000 + 894 HA 11.2910 7.6678 10.2292 H 59 PRO36559 1.0000 + 895 C 12.8980 9.0280 10.2290 C.2 59 PRO36559 1.0000 + 896 O 13.5920 9.8610 10.8110 O.2 59 PRO36559 1.0000 + 897 CB 10.9040 9.2650 11.7060 C.3 59 PRO36559 1.0000 + 898 HB1 10.0887 9.5971 11.0632 H 59 PRO36559 1.0000 + 899 HB2 11.4645 10.1464 12.0175 H 59 PRO36559 1.0000 + 900 CG 10.4030 8.4820 12.8790 C.3 59 PRO36559 1.0000 + 901 HG1 9.5744 7.8863 12.4959 H 59 PRO36559 1.0000 + 902 HG2 10.0944 9.2267 13.6127 H 59 PRO36559 1.0000 + 903 CD 11.5720 7.6510 13.3320 C.3 59 PRO36559 1.0000 + 904 HD1 12.1693 8.1602 14.0883 H 59 PRO36559 1.0000 + 905 HD2 11.2585 6.6937 13.7484 H 59 PRO36559 1.0000 + 906 N 13.0540 8.7440 8.9450 N.am 60 GLY36660 1.0000 + 907 HN 12.4770 7.9938 8.5386 H 60 GLY36660 1.0000 + 908 CA 13.9920 9.4310 8.0810 C.3 60 GLY36660 1.0000 + 909 HA1 14.1913 10.4131 8.5097 H 60 GLY36660 1.0000 + 910 HA2 13.5383 9.5246 7.0943 H 60 GLY36660 1.0000 + 911 C 15.3160 8.7400 7.9040 C.2 60 GLY36660 1.0000 + 912 O 16.0930 9.0330 6.9930 O.2 60 GLY36660 1.0000 + 913 N 15.6270 7.7890 8.7930 N.am 61 PHE36761 1.0000 + 914 HN 14.9545 7.4882 9.5128 H 61 PHE36761 1.0000 + 915 CA 16.9530 7.1970 8.7020 C.3 61 PHE36761 1.0000 + 916 HA 17.7465 7.9440 8.6818 H 61 PHE36761 1.0000 + 917 C 17.1350 6.3560 7.4490 C.2 61 PHE36761 1.0000 + 918 O 18.2420 6.3580 6.9050 O.2 61 PHE36761 1.0000 + 919 CB 17.2410 6.3210 9.9280 C.3 61 PHE36761 1.0000 + 920 HB1 16.5721 5.4628 9.9915 H 61 PHE36761 1.0000 + 921 HB2 17.1298 6.8677 10.8644 H 61 PHE36761 1.0000 + 922 CG 18.6560 5.7630 9.9220 C.ar 61 PHE36761 1.0000 + 923 CD1 19.7180 6.5880 10.2480 C.ar 61 PHE36761 1.0000 + 924 HD1 19.5388 7.6341 10.4963 H 61 PHE36761 1.0000 + 925 CD2 18.8970 4.4400 9.6080 C.ar 61 PHE36761 1.0000 + 926 HD2 18.0636 3.7871 9.3487 H 61 PHE36761 1.0000 + 927 CE1 21.0070 6.0860 10.2590 C.ar 61 PHE36761 1.0000 + 928 HE1 21.8418 6.7402 10.5106 H 61 PHE36761 1.0000 + 929 CE2 20.1830 3.9350 9.6190 C.ar 61 PHE36761 1.0000 + 930 HE2 20.3630 2.8903 9.3656 H 61 PHE36761 1.0000 + 931 CZ 21.2410 4.7610 9.9530 C.ar 61 PHE36761 1.0000 + 932 HZ 22.2568 4.3663 9.9744 H 61 PHE36761 1.0000 + 933 N 16.1030 5.6390 6.9960 N.am 62 VAL36862 1.0000 + 934 HN 15.1796 5.6984 7.4484 H 62 VAL36862 1.0000 + 935 CA 16.3190 4.7620 5.8340 C.3 62 VAL36862 1.0000 + 936 HA 17.2956 4.2780 5.8325 H 62 VAL36862 1.0000 + 937 C 16.2310 5.4940 4.4970 C.2 62 VAL36862 1.0000 + 938 O 16.6100 4.9320 3.4700 O.2 62 VAL36862 1.0000 + 939 CB 15.3330 3.5770 5.7810 C.3 62 VAL36862 1.0000 + 940 HB 15.1674 3.2722 4.7477 H 62 VAL36862 1.0000 + 941 CG1 15.8930 2.3940 6.5570 C.3 62 VAL36862 1.0000 + 942 HG11 15.1885 1.5634 6.5127 H 62 VAL36862 1.0000 + 943 HG12 16.8428 2.0879 6.1184 H 62 VAL36862 1.0000 + 944 HG13 16.0494 2.6820 7.5966 H 62 VAL36862 1.0000 + 945 CG2 13.9680 3.9920 6.3080 C.3 62 VAL36862 1.0000 + 946 HG21 13.2867 3.1424 6.2624 H 62 VAL36862 1.0000 + 947 HG22 14.0630 4.3258 7.3413 H 62 VAL36862 1.0000 + 948 HG23 13.5747 4.8056 5.6986 H 62 VAL36862 1.0000 + 949 N 15.7560 6.7310 4.5110 N.am 63 ASP36963 1.0000 + 950 HN 15.3953 7.1179 5.3948 H 63 ASP36963 1.0000 + 951 CA 15.7290 7.5580 3.3160 C.3 63 ASP36963 1.0000 + 952 HA 15.3061 7.0234 2.4654 H 63 ASP36963 1.0000 + 953 C 17.1250 8.0100 2.9130 C.2 63 ASP36963 1.0000 + 954 O 17.3020 8.5320 1.8190 O.2 63 ASP36963 1.0000 + 955 CB 14.8430 8.7890 3.5480 C.3 63 ASP36963 1.0000 + 956 HB1 14.8647 9.4122 2.6540 H 63 ASP36963 1.0000 + 957 HB2 15.2298 9.3456 4.4017 H 63 ASP36963 1.0000 + 958 CG 13.4280 8.3280 3.8260 C.2 63 ASP36963 1.0000 + 959 OD1 13.1020 7.2030 3.3850 O.co2 63 ASP36963 1.0000 + 960 OD2 12.6830 9.0700 4.4890 O.co2 63 ASP36963 1.0000 + 961 N 18.0680 7.8070 3.8150 N.am 64 LEU37064 1.0000 + 962 HN 17.7820 7.4201 4.7257 H 64 LEU37064 1.0000 + 963 CA 19.4770 8.0890 3.6170 C.3 64 LEU37064 1.0000 + 964 HA 19.6055 9.0437 3.1070 H 64 LEU37064 1.0000 + 965 C 20.1260 6.9940 2.7690 C.2 64 LEU37064 1.0000 + 966 O 19.6000 5.8850 2.6200 O.2 64 LEU37064 1.0000 + 967 CB 20.2080 8.1740 4.9560 C.3 64 LEU37064 1.0000 + 968 HB1 21.2740 8.2271 4.7350 H 64 LEU37064 1.0000 + 969 HB2 19.9550 7.2735 5.5156 H 64 LEU37064 1.0000 + 970 CG 19.9180 9.3430 5.8940 C.3 64 LEU37064 1.0000 + 971 HG 18.8562 9.3772 6.1379 H 64 LEU37064 1.0000 + 972 CD1 20.7100 9.1920 7.1860 C.3 64 LEU37064 1.0000 + 973 HD11 20.4937 10.0323 7.8457 H 64 LEU37064 1.0000 + 974 HD12 20.4279 8.2617 7.6791 H 64 LEU37064 1.0000 + 975 HD13 21.7760 9.1737 6.9593 H 64 LEU37064 1.0000 + 976 CD2 20.2530 10.6900 5.2620 C.3 64 LEU37064 1.0000 + 977 HD21 20.0292 11.4892 5.9686 H 64 LEU37064 1.0000 + 978 HD22 21.3121 10.7183 5.0057 H 64 LEU37064 1.0000 + 979 HD23 19.6575 10.8265 4.3593 H 64 LEU37064 1.0000 + 980 N 21.2890 7.3100 2.2170 N.am 65 THR37165 1.0000 + 981 HN 21.6474 8.2710 2.3118 H 65 THR37165 1.0000 + 982 CA 22.0700 6.3280 1.4800 C.3 65 THR37165 1.0000 + 983 HA 21.4356 5.7913 0.7746 H 65 THR37165 1.0000 + 984 C 22.6930 5.3190 2.4380 C.2 65 THR37165 1.0000 + 985 O 22.9400 5.6320 3.6060 O.2 65 THR37165 1.0000 + 986 CB 23.2030 6.9980 0.6850 C.3 65 THR37165 1.0000 + 987 HB 23.6301 6.3033 -0.0383 H 65 THR37165 1.0000 + 988 OG1 24.1880 7.4650 1.6120 O.3 65 THR37165 1.0000 + 989 HG1 24.7415 8.2163 1.1761 H 65 THR37165 1.0000 + 990 CG2 22.6870 8.2080 -0.0690 C.3 65 THR37165 1.0000 + 991 HG21 23.5050 8.6666 -0.6245 H 65 THR37165 1.0000 + 992 HG22 21.9058 7.8982 -0.7632 H 65 THR37165 1.0000 + 993 HG23 22.2786 8.9303 0.6379 H 65 THR37165 1.0000 + 994 N 22.9480 4.1100 1.9550 N.am 66 LEU37266 1.0000 + 995 HN 22.7225 3.8861 0.9753 H 66 LEU37266 1.0000 + 996 CA 23.5500 3.0980 2.8190 C.3 66 LEU37266 1.0000 + 997 HA 22.8801 2.8367 3.6382 H 66 LEU37266 1.0000 + 998 C 24.8570 3.6040 3.4230 C.2 66 LEU37266 1.0000 + 999 O 25.0980 3.4860 4.6270 O.2 66 LEU37266 1.0000 + 1000 CB 23.7790 1.8090 2.0350 C.3 66 LEU37266 1.0000 + 1001 HB1 24.3655 1.1411 2.6659 H 66 LEU37266 1.0000 + 1002 HB2 24.3183 2.0703 1.1245 H 66 LEU37266 1.0000 + 1003 CG 22.5460 1.0230 1.5990 C.3 66 LEU37266 1.0000 + 1004 HG 22.2661 1.3071 0.5846 H 66 LEU37266 1.0000 + 1005 CD1 22.8460 -0.4700 1.6340 C.3 66 LEU37266 1.0000 + 1006 HD11 21.9621 -1.0262 1.3218 H 66 LEU37266 1.0000 + 1007 HD12 23.6716 -0.6912 0.9575 H 66 LEU37266 1.0000 + 1008 HD13 23.1193 -0.7625 2.6478 H 66 LEU37266 1.0000 + 1009 CD2 21.3370 1.3440 2.4600 C.3 66 LEU37266 1.0000 + 1010 HD21 20.4810 0.7634 2.1161 H 66 LEU37266 1.0000 + 1011 HD22 21.5526 1.0922 3.4984 H 66 LEU37266 1.0000 + 1012 HD23 21.1084 2.4071 2.3844 H 66 LEU37266 1.0000 + 1013 N 25.7190 4.1740 2.5840 N.am 67 HIS37367 1.0000 + 1014 HN 25.4925 4.2208 1.5803 H 67 HIS37367 1.0000 + 1015 CA 26.9730 4.7310 3.0590 C.3 67 HIS37367 1.0000 + 1016 HA 27.6367 3.9548 3.4401 H 67 HIS37367 1.0000 + 1017 C 26.7490 5.7320 4.1880 C.2 67 HIS37367 1.0000 + 1018 O 27.4740 5.7120 5.1880 O.2 67 HIS37367 1.0000 + 1019 CB 27.7220 5.3810 1.8940 C.3 67 HIS37367 1.0000 + 1020 HB1 27.0001 5.9268 1.2865 H 67 HIS37367 1.0000 + 1021 HB2 28.1970 4.5918 1.3112 H 67 HIS37367 1.0000 + 1022 CG 28.7910 6.3470 2.3030 C.ar 67 HIS37367 1.0000 + 1023 ND1 30.0770 5.9640 2.6140 N.ar 67 HIS37367 1.0000 + 1024 CD2 28.7740 7.6950 2.4490 C.ar 67 HIS37367 1.0000 + 1025 HD2 27.9161 8.3470 2.2844 H 67 HIS37367 1.0000 + 1026 CE1 30.8010 7.0230 2.9350 C.ar 67 HIS37367 1.0000 + 1027 HE1 31.8513 7.0153 3.2264 H 67 HIS37367 1.0000 + 1028 NE2 30.0290 8.0940 2.8410 N.ar 67 HIS37367 1.0000 + 1029 HE2 30.3201 9.0638 3.0300 H 67 HIS37367 1.0000 + 1030 N 25.7600 6.6150 4.0610 N.am 68 ASP37468 1.0000 + 1031 HN 25.1481 6.5909 3.2328 H 68 ASP37468 1.0000 + 1032 CA 25.5470 7.6180 5.1020 C.3 68 ASP37468 1.0000 + 1033 HA 26.4677 8.1506 5.3404 H 68 ASP37468 1.0000 + 1034 C 25.0420 6.9870 6.3940 C.2 68 ASP37468 1.0000 + 1035 O 25.3990 7.4430 7.4760 O.2 68 ASP37468 1.0000 + 1036 CB 24.5390 8.6900 4.6710 C.3 68 ASP37468 1.0000 + 1037 HB1 24.1461 9.2165 5.5408 H 68 ASP37468 1.0000 + 1038 HB2 23.7041 8.2364 4.1369 H 68 ASP37468 1.0000 + 1039 CG 25.2000 9.7040 3.7550 C.2 68 ASP37468 1.0000 + 1040 OD1 26.4460 9.6670 3.6640 O.co2 68 ASP37468 1.0000 + 1041 OD2 24.4770 10.5190 3.1500 O.co2 68 ASP37468 1.0000 + 1042 N 24.2110 5.9680 6.2390 N.am 69 GLN37569 1.0000 + 1043 HN 23.9444 5.6670 5.2907 H 69 GLN37569 1.0000 + 1044 CA 23.6690 5.2670 7.3990 C.3 69 GLN37569 1.0000 + 1045 HA 23.1584 5.9737 8.0532 H 69 GLN37569 1.0000 + 1046 C 24.8040 4.5940 8.1770 C.2 69 GLN37569 1.0000 + 1047 O 24.7840 4.6310 9.4120 O.2 69 GLN37569 1.0000 + 1048 CB 22.6280 4.2610 6.9600 C.3 69 GLN37569 1.0000 + 1049 HB1 22.3930 3.6278 7.8155 H 69 GLN37569 1.0000 + 1050 HB2 23.0520 3.6749 6.1446 H 69 GLN37569 1.0000 + 1051 CG 21.3140 4.8380 6.4580 C.3 69 GLN37569 1.0000 + 1052 HG1 21.5112 5.5626 5.6680 H 69 GLN37569 1.0000 + 1053 HG2 20.7941 5.3314 7.2792 H 69 GLN37569 1.0000 + 1054 CD 20.4400 3.7160 5.9080 C.2 69 GLN37569 1.0000 + 1055 OE1 20.2650 2.6930 6.5570 O.2 69 GLN37569 1.0000 + 1056 NE2 19.9040 3.9000 4.7100 N.am 69 GLN37569 1.0000 + 1057 HE21 20.0769 4.7766 4.1976 H 69 GLN37569 1.0000 + 1058 HE22 19.3146 3.1663 4.2913 H 69 GLN37569 1.0000 + 1059 N 25.7740 4.0110 7.4760 N.am 70 VAL37670 1.0000 + 1060 HN 25.7001 4.0177 6.4487 H 70 VAL37670 1.0000 + 1061 CA 26.9340 3.3640 8.0750 C.3 70 VAL37670 1.0000 + 1062 HA 26.6324 2.6150 8.8072 H 70 VAL37670 1.0000 + 1063 C 27.8270 4.3820 8.7900 C.2 70 VAL37670 1.0000 + 1064 O 28.3430 4.0900 9.8670 O.2 70 VAL37670 1.0000 + 1065 CB 27.7990 2.6010 7.0540 C.3 70 VAL37670 1.0000 + 1066 HB 28.2119 3.2809 6.3088 H 70 VAL37670 1.0000 + 1067 CG1 28.9610 1.8970 7.7440 C.3 70 VAL37670 1.0000 + 1068 HG11 29.5567 1.3655 7.0019 H 70 VAL37670 1.0000 + 1069 HG12 29.5847 2.6343 8.2495 H 70 VAL37670 1.0000 + 1070 HG13 28.5740 1.1869 8.4748 H 70 VAL37670 1.0000 + 1071 CG2 26.9650 1.5870 6.2920 C.3 70 VAL37670 1.0000 + 1072 HG21 27.5967 1.0602 5.5768 H 70 VAL37670 1.0000 + 1073 HG22 26.5341 0.8709 6.9917 H 70 VAL37670 1.0000 + 1074 HG23 26.1645 2.1007 5.7596 H 70 VAL37670 1.0000 + 1075 N 28.0010 5.5500 8.1750 N.am 71 HIS37771 1.0000 + 1076 HN 27.5710 5.6823 7.2484 H 71 HIS37771 1.0000 + 1077 CA 28.7600 6.6400 8.7380 C.3 71 HIS37771 1.0000 + 1078 HA 29.7867 6.3495 8.9605 H 71 HIS37771 1.0000 + 1079 C 28.1480 7.1480 10.0470 C.2 71 HIS37771 1.0000 + 1080 O 28.8870 7.3540 11.0050 O.2 71 HIS37771 1.0000 + 1081 CB 28.8430 7.8190 7.7520 C.3 71 HIS37771 1.0000 + 1082 HB1 27.8471 8.1244 7.4310 H 71 HIS37771 1.0000 + 1083 HB2 29.4157 7.5422 6.8668 H 71 HIS37771 1.0000 + 1084 CG 29.5130 9.0030 8.3930 C.ar 71 HIS37771 1.0000 + 1085 ND1 30.8780 9.0940 8.5340 N.ar 71 HIS37771 1.0000 + 1086 CD2 29.0250 10.1300 8.9510 C.ar 71 HIS37771 1.0000 + 1087 HD2 27.9721 10.3988 9.0367 H 71 HIS37771 1.0000 + 1088 CE1 31.2010 10.2260 9.1330 C.ar 71 HIS37771 1.0000 + 1089 HE1 32.2108 10.5603 9.3708 H 71 HIS37771 1.0000 + 1090 NE2 30.0880 10.8790 9.3920 N.ar 71 HIS37771 1.0000 + 1091 HE2 30.0248 11.7995 9.8497 H 71 HIS37771 1.0000 + 1092 N 26.8370 7.3510 10.0880 N.am 72 LEU37872 1.0000 + 1093 HN 26.2763 7.1438 9.2492 H 72 LEU37872 1.0000 + 1094 CA 26.1610 7.8570 11.2780 C.3 72 LEU37872 1.0000 + 1095 HA 26.5760 8.8112 11.6026 H 72 LEU37872 1.0000 + 1096 C 26.2850 6.8910 12.4510 C.2 72 LEU37872 1.0000 + 1097 O 26.5570 7.2750 13.5800 O.2 72 LEU37872 1.0000 + 1098 CB 24.6810 8.1030 10.9910 C.3 72 LEU37872 1.0000 + 1099 HB1 24.1775 8.2653 11.9440 H 72 LEU37872 1.0000 + 1100 HB2 24.2866 7.2212 10.4861 H 72 LEU37872 1.0000 + 1101 CG 24.3630 9.3110 10.1020 C.3 72 LEU37872 1.0000 + 1102 HG 24.6540 9.1254 9.0681 H 72 LEU37872 1.0000 + 1103 CD1 22.8720 9.6260 10.1160 C.3 72 LEU37872 1.0000 + 1104 HD11 22.6760 10.4870 9.4770 H 72 LEU37872 1.0000 + 1105 HD12 22.3148 8.7653 9.7461 H 72 LEU37872 1.0000 + 1106 HD13 22.5573 9.8513 11.1350 H 72 LEU37872 1.0000 + 1107 CD2 25.1740 10.5150 10.5380 C.3 72 LEU37872 1.0000 + 1108 HD21 24.9372 11.3645 9.8974 H 72 LEU37872 1.0000 + 1109 HD22 24.9321 10.7616 11.5718 H 72 LEU37872 1.0000 + 1110 HD23 26.2367 10.2859 10.4588 H 72 LEU37872 1.0000 + 1111 N 26.0700 5.6150 12.1530 N.am 73 LEU37973 1.0000 + 1112 HN 25.8138 5.3582 11.1890 H 73 LEU37973 1.0000 + 1113 CA 26.1890 4.5720 13.1610 C.3 73 LEU37973 1.0000 + 1114 HA 25.5994 4.7969 14.0498 H 73 LEU37973 1.0000 + 1115 C 27.6210 4.3880 13.6160 C.2 73 LEU37973 1.0000 + 1116 O 27.8740 4.1690 14.8010 O.2 73 LEU37973 1.0000 + 1117 CB 25.6320 3.2520 12.6090 C.3 73 LEU37973 1.0000 + 1118 HB1 26.1122 2.3739 13.0408 H 73 LEU37973 1.0000 + 1119 HB2 25.7553 3.1562 11.5302 H 73 LEU37973 1.0000 + 1120 CG 24.1290 3.0780 12.8740 C.3 73 LEU37973 1.0000 + 1121 HG 23.6276 4.0456 12.8543 H 73 LEU37973 1.0000 + 1122 CD1 23.5110 2.1920 11.8190 C.3 73 LEU37973 1.0000 + 1123 HD11 22.4457 2.0771 12.0188 H 73 LEU37973 1.0000 + 1124 HD12 23.6492 2.6447 10.8371 H 73 LEU37973 1.0000 + 1125 HD13 23.9914 1.2138 11.8384 H 73 LEU37973 1.0000 + 1126 CD2 23.9140 2.5210 14.2710 C.3 73 LEU37973 1.0000 + 1127 HD21 22.8463 2.3995 14.4539 H 73 LEU37973 1.0000 + 1128 HD22 24.4093 1.5539 14.3573 H 73 LEU37973 1.0000 + 1129 HD23 24.3319 3.2095 15.0055 H 73 LEU37973 1.0000 + 1130 N 28.5770 4.4590 12.6860 N.am 74 GLU38074 1.0000 + 1131 HN 28.3437 4.6783 11.7070 H 74 GLU38074 1.0000 + 1132 CA 29.9540 4.2200 13.0860 C.3 74 GLU38074 1.0000 + 1133 HA 30.0375 3.2508 13.5777 H 74 GLU38074 1.0000 + 1134 C 30.4140 5.3070 14.0550 C.2 74 GLU38074 1.0000 + 1135 O 31.2610 5.0820 14.9190 O.2 74 GLU38074 1.0000 + 1136 CB 30.9130 4.1950 11.8910 C.3 74 GLU38074 1.0000 + 1137 HB1 30.7195 5.0415 11.2321 H 74 GLU38074 1.0000 + 1138 HB2 30.7844 3.2747 11.3212 H 74 GLU38074 1.0000 + 1139 CG 32.3530 4.2720 12.3680 C.3 74 GLU38074 1.0000 + 1140 HG1 32.5344 3.6388 13.2365 H 74 GLU38074 1.0000 + 1141 HG2 32.6388 5.2837 12.6560 H 74 GLU38074 1.0000 + 1142 CD 33.3330 3.8340 11.3030 C.2 74 GLU38074 1.0000 + 1143 OE1 33.0450 4.1260 10.1240 O.co2 74 GLU38074 1.0000 + 1144 OE2 34.3550 3.2280 11.6780 O.co2 74 GLU38074 1.0000 + 1145 N 29.8460 6.4950 13.9010 N.am 75 CYS38175 1.0000 + 1146 HN 29.1844 6.6334 13.1238 H 75 CYS38175 1.0000 + 1147 CA 30.1250 7.6060 14.7900 C.3 75 CYS38175 1.0000 + 1148 HA 31.1880 7.5951 15.0310 H 75 CYS38175 1.0000 + 1149 C 29.3510 7.5580 16.0980 C.2 75 CYS38175 1.0000 + 1150 O 29.8050 8.0180 17.1500 O.2 75 CYS38175 1.0000 + 1151 CB 29.7430 8.9130 14.0720 C.3 75 CYS38175 1.0000 + 1152 HB1 29.7118 9.7733 14.7406 H 75 CYS38175 1.0000 + 1153 HB2 28.7608 8.8696 13.6014 H 75 CYS38175 1.0000 + 1154 SG 30.8940 9.3580 12.7580 S.3 75 CYS38175 1.0000 + 1155 HG 31.4914 10.5186 13.0607 H 75 CYS38175 1.0000 + 1156 N 28.1290 7.0200 16.0490 N.am 76 ALA38276 1.0000 + 1157 HN 27.7968 6.5196 15.2123 H 76 ALA38276 1.0000 + 1158 CA 27.2860 7.1700 17.2270 C.3 76 ALA38276 1.0000 + 1159 HA 27.7333 7.9241 17.8746 H 76 ALA38276 1.0000 + 1160 C 27.1230 5.9000 18.0420 C.2 76 ALA38276 1.0000 + 1161 O 26.5780 6.0420 19.1460 O.2 76 ALA38276 1.0000 + 1162 CB 25.9030 7.6750 16.8220 C.3 76 ALA38276 1.0000 + 1163 HB1 25.2808 7.7836 17.7103 H 76 ALA38276 1.0000 + 1164 HB2 25.9992 8.6409 16.3261 H 76 ALA38276 1.0000 + 1165 HB3 25.4404 6.9615 16.1401 H 76 ALA38276 1.0000 + 1166 N 27.5280 4.7260 17.5780 N.am 77 TRP38377 1.0000 + 1167 HN 28.1065 4.6755 16.7273 H 77 TRP38377 1.0000 + 1168 CA 27.1460 3.5010 18.2850 C.3 77 TRP38377 1.0000 + 1169 HA 26.0641 3.3877 18.2155 H 77 TRP38377 1.0000 + 1170 C 27.5200 3.4940 19.7620 C.2 77 TRP38377 1.0000 + 1171 O 26.7230 3.0520 20.5980 O.2 77 TRP38377 1.0000 + 1172 CB 27.7610 2.2770 17.5840 C.3 77 TRP38377 1.0000 + 1173 HB1 27.5901 2.2906 16.5076 H 77 TRP38377 1.0000 + 1174 HB2 27.3461 1.3395 17.9542 H 77 TRP38377 1.0000 + 1175 CG 29.2430 2.1980 17.7820 C.ar 77 TRP38377 1.0000 + 1176 CD1 30.2020 2.7850 17.0150 C.ar 77 TRP38377 1.0000 + 1177 HD1 30.0072 3.4005 16.1367 H 77 TRP38377 1.0000 + 1178 CD2 29.9490 1.4980 18.8150 C.ar 77 TRP38377 1.0000 + 1179 NE1 31.4570 2.4890 17.5090 N.ar 77 TRP38377 1.0000 + 1180 HE1 32.3492 2.8102 17.1069 H 77 TRP38377 1.0000 + 1181 CE2 31.3240 1.7000 18.6190 C.ar 77 TRP38377 1.0000 + 1182 CE3 29.5090 0.7240 19.8920 C.ar 77 TRP38377 1.0000 + 1183 HE3 28.4476 0.5555 20.0738 H 77 TRP38377 1.0000 + 1184 CZ2 32.2910 1.1530 19.4530 C.ar 77 TRP38377 1.0000 + 1185 HZ2 33.3555 1.3171 19.2853 H 77 TRP38377 1.0000 + 1186 CZ3 30.4720 0.1830 20.7140 C.ar 77 TRP38377 1.0000 + 1187 HZ3 30.1606 -0.4304 21.5595 H 77 TRP38377 1.0000 + 1188 CH2 31.8310 0.3950 20.4990 C.ar 77 TRP38377 1.0000 + 1189 HH2 32.5509 -0.0550 21.1826 H 77 TRP38377 1.0000 + 1190 N 28.7130 3.9610 20.1460 N.am 78 LEU38478 1.0000 + 1191 HN 29.3718 4.3455 19.4538 H 78 LEU38478 1.0000 + 1192 CA 29.0680 3.9170 21.5670 C.3 78 LEU38478 1.0000 + 1193 HA 28.9099 2.9175 21.9722 H 78 LEU38478 1.0000 + 1194 C 28.2150 4.8960 22.3650 C.2 78 LEU38478 1.0000 + 1195 O 27.7180 4.5580 23.4420 O.2 78 LEU38478 1.0000 + 1196 CB 30.5660 4.1730 21.7940 C.3 78 LEU38478 1.0000 + 1197 HB1 30.7593 5.2344 21.6383 H 78 LEU38478 1.0000 + 1198 HB2 31.1281 3.5717 21.0795 H 78 LEU38478 1.0000 + 1199 CG 31.0630 3.8100 23.2020 C.3 78 LEU38478 1.0000 + 1200 HG 30.8200 4.6128 23.8981 H 78 LEU38478 1.0000 + 1201 CD1 30.3930 2.5220 23.6710 C.3 78 LEU38478 1.0000 + 1202 HD11 30.7491 2.2694 24.6698 H 78 LEU38478 1.0000 + 1203 HD12 29.3123 2.6622 23.6958 H 78 LEU38478 1.0000 + 1204 HD13 30.6382 1.7129 22.9830 H 78 LEU38478 1.0000 + 1205 CD2 32.5690 3.6640 23.2740 C.3 78 LEU38478 1.0000 + 1206 HD21 32.8614 3.4073 24.2922 H 78 LEU38478 1.0000 + 1207 HD22 32.8910 2.8751 22.5942 H 78 LEU38478 1.0000 + 1208 HD23 33.0398 4.6044 22.9875 H 78 LEU38478 1.0000 + 1209 N 27.9820 6.1120 21.8680 N.am 79 GLU38579 1.0000 + 1210 HN 28.4332 6.3961 20.9867 H 79 GLU38579 1.0000 + 1211 CA 27.0910 7.0500 22.5610 C.3 79 GLU38579 1.0000 + 1212 HA 27.4670 7.3352 23.5436 H 79 GLU38579 1.0000 + 1213 C 25.6900 6.4700 22.7900 C.2 79 GLU38579 1.0000 + 1214 O 25.0940 6.6930 23.8480 O.2 79 GLU38579 1.0000 + 1215 CB 26.9410 8.3380 21.7690 C.3 79 GLU38579 1.0000 + 1216 HB1 26.2093 8.9571 22.2881 H 79 GLU38579 1.0000 + 1217 HB2 26.5980 8.0688 20.7700 H 79 GLU38579 1.0000 + 1218 CG 28.1720 9.1980 21.5810 C.3 79 GLU38579 1.0000 + 1219 HG1 28.9779 8.6427 21.1012 H 79 GLU38579 1.0000 + 1220 HG2 28.5524 9.5650 22.5343 H 79 GLU38579 1.0000 + 1221 CD 27.8770 10.4120 20.7120 C.2 79 GLU38579 1.0000 + 1222 OE1 27.3320 11.4130 21.2200 O.co2 79 GLU38579 1.0000 + 1223 OE2 28.1960 10.3630 19.5110 O.co2 79 GLU38579 1.0000 + 1224 N 25.1770 5.7520 21.7880 N.am 80 ILE38680 1.0000 + 1225 HN 25.7567 5.6342 20.9448 H 80 ILE38680 1.0000 + 1226 CA 23.8640 5.1220 21.7910 C.3 80 ILE38680 1.0000 + 1227 HA 23.0954 5.8547 22.0368 H 80 ILE38680 1.0000 + 1228 C 23.8200 4.0010 22.8240 C.2 80 ILE38680 1.0000 + 1229 O 22.8470 3.9050 23.5800 O.2 80 ILE38680 1.0000 + 1230 CB 23.4660 4.6420 20.3800 C.3 80 ILE38680 1.0000 + 1231 HB 24.2602 4.0733 19.8964 H 80 ILE38680 1.0000 + 1232 CG1 23.2040 5.7970 19.4080 C.3 80 ILE38680 1.0000 + 1233 HG11 23.9798 6.5468 19.5633 H 80 ILE38680 1.0000 + 1234 HG12 22.2171 6.2031 19.6300 H 80 ILE38680 1.0000 + 1235 CG2 22.2450 3.7430 20.4000 C.3 80 ILE38680 1.0000 + 1236 HG21 22.0055 3.4320 19.3831 H 80 ILE38680 1.0000 + 1237 HG22 22.4510 2.8631 21.0095 H 80 ILE38680 1.0000 + 1238 HG23 21.3997 4.2868 20.8217 H 80 ILE38680 1.0000 + 1239 CD1 23.2170 5.4460 17.9420 C.3 80 ILE38680 1.0000 + 1240 HD11 23.0201 6.3410 17.3518 H 80 ILE38680 1.0000 + 1241 HD12 24.1929 5.0416 17.6733 H 80 ILE38680 1.0000 + 1242 HD13 22.4474 4.7012 17.7393 H 80 ILE38680 1.0000 + 1243 N 24.8540 3.1700 22.8900 N.am 81 LEU38781 1.0000 + 1244 HN 25.6069 3.2443 22.1911 H 81 LEU38781 1.0000 + 1245 CA 24.9440 2.1560 23.9310 C.3 81 LEU38781 1.0000 + 1246 HA 24.1063 1.4609 23.8745 H 81 LEU38781 1.0000 + 1247 C 24.9310 2.7930 25.3220 C.2 81 LEU38781 1.0000 + 1248 O 24.2330 2.3150 26.2140 O.2 81 LEU38781 1.0000 + 1249 CB 26.2320 1.3460 23.8420 C.3 81 LEU38781 1.0000 + 1250 HB1 26.3855 0.8635 24.8072 H 81 LEU38781 1.0000 + 1251 HB2 27.0420 2.0385 23.6130 H 81 LEU38781 1.0000 + 1252 CG 26.2870 0.2410 22.7850 C.3 81 LEU38781 1.0000 + 1253 HG 26.3182 0.6691 21.7831 H 81 LEU38781 1.0000 + 1254 CD1 27.5290 -0.6230 22.9750 C.3 81 LEU38781 1.0000 + 1255 HD11 27.5497 -1.4028 22.2137 H 81 LEU38781 1.0000 + 1256 HD12 28.4209 -0.0031 22.8837 H 81 LEU38781 1.0000 + 1257 HD13 27.5055 -1.0816 23.9636 H 81 LEU38781 1.0000 + 1258 CD2 25.0260 -0.5990 22.8150 C.3 81 LEU38781 1.0000 + 1259 HD21 25.0892 -1.3775 22.0547 H 81 LEU38781 1.0000 + 1260 HD22 24.9186 -1.0591 23.7973 H 81 LEU38781 1.0000 + 1261 HD23 24.1619 0.0345 22.6146 H 81 LEU38781 1.0000 + 1262 N 25.7340 3.8430 25.4520 N.am 82 MET38882 1.0000 + 1263 HN 26.2415 4.1877 24.6246 H 82 MET38882 1.0000 + 1264 CA 25.9200 4.5220 26.7250 C.3 82 MET38882 1.0000 + 1265 HA 26.1662 3.8275 27.5283 H 82 MET38882 1.0000 + 1266 C 24.6740 5.2690 27.1610 C.2 82 MET38882 1.0000 + 1267 O 24.3940 5.2850 28.3640 O.2 82 MET38882 1.0000 + 1268 CB 27.0910 5.5120 26.6830 C.3 82 MET38882 1.0000 + 1269 HB1 27.0644 6.2255 27.5066 H 82 MET38882 1.0000 + 1270 HB2 27.1053 6.1034 25.7675 H 82 MET38882 1.0000 + 1271 CG 28.4360 4.8230 26.7630 C.3 82 MET38882 1.0000 + 1272 HG1 28.5895 4.1392 25.9282 H 82 MET38882 1.0000 + 1273 HG2 28.5369 4.2396 27.6782 H 82 MET38882 1.0000 + 1274 SD 29.7930 6.0050 26.7360 S.3 82 MET38882 1.0000 + 1275 CE 31.1510 4.9710 27.3040 C.3 82 MET38882 1.0000 + 1276 HE1 32.0667 5.5611 27.3415 H 82 MET38882 1.0000 + 1277 HE2 30.9252 4.5881 28.2992 H 82 MET38882 1.0000 + 1278 HE3 31.2852 4.1363 26.6160 H 82 MET38882 1.0000 + 1279 N 23.9300 5.8850 26.2360 N.am 83 ILE38983 1.0000 + 1280 HN 24.1635 5.8730 25.2329 H 83 ILE38983 1.0000 + 1281 CA 22.7520 6.5800 26.7710 C.3 83 ILE38983 1.0000 + 1282 HA 23.0494 7.1783 27.6322 H 83 ILE38983 1.0000 + 1283 C 21.7120 5.5500 27.1940 C.2 83 ILE38983 1.0000 + 1284 O 20.9400 5.7570 28.1350 O.2 83 ILE38983 1.0000 + 1285 CB 22.1500 7.5990 25.7940 C.3 83 ILE38983 1.0000 + 1286 HB 22.9293 8.2537 25.4040 H 83 ILE38983 1.0000 + 1287 CG1 21.1940 8.5850 26.4730 C.3 83 ILE38983 1.0000 + 1288 HG11 21.7820 9.2612 27.0936 H 83 ILE38983 1.0000 + 1289 HG12 20.4923 8.0173 27.0841 H 83 ILE38983 1.0000 + 1290 CG2 21.4880 6.8830 24.6290 C.3 83 ILE38983 1.0000 + 1291 HG21 21.0651 7.6174 23.9435 H 83 ILE38983 1.0000 + 1292 HG22 22.2291 6.2808 24.1035 H 83 ILE38983 1.0000 + 1293 HG23 20.6942 6.2364 25.0030 H 83 ILE38983 1.0000 + 1294 CD1 20.3880 9.4280 25.5070 C.3 83 ILE38983 1.0000 + 1295 HD11 19.7363 10.0994 26.0662 H 83 ILE38983 1.0000 + 1296 HD12 21.0638 10.0138 24.8840 H 83 ILE38983 1.0000 + 1297 HD13 19.7829 8.7784 24.8746 H 83 ILE38983 1.0000 + 1298 N 21.6930 4.4070 26.5090 N.am 84 GLY39084 1.0000 + 1299 HN 22.2976 4.2908 25.6832 H 84 GLY39084 1.0000 + 1300 CA 20.8170 3.3230 26.9290 C.3 84 GLY39084 1.0000 + 1301 HA1 20.8273 2.4646 26.2573 H 84 GLY39084 1.0000 + 1302 HA2 19.7677 3.6091 27.0009 H 84 GLY39084 1.0000 + 1303 C 21.1600 2.7530 28.2950 C.2 84 GLY39084 1.0000 + 1304 O 20.2520 2.4370 29.0770 O.2 84 GLY39084 1.0000 + 1305 N 22.4400 2.5980 28.6100 N.am 85 LEU39185 1.0000 + 1306 HN 23.1472 2.8536 27.9061 H 85 LEU39185 1.0000 + 1307 CA 22.9040 2.0860 29.8970 C.3 85 LEU39185 1.0000 + 1308 HA 22.4608 1.1181 30.1310 H 85 LEU39185 1.0000 + 1309 C 22.5490 3.0310 31.0450 C.2 85 LEU39185 1.0000 + 1310 O 22.1130 2.6170 32.1140 O.2 85 LEU39185 1.0000 + 1311 CB 24.4140 1.8850 29.8690 C.3 85 LEU39185 1.0000 + 1312 HB1 24.8648 2.7874 29.4560 H 85 LEU39185 1.0000 + 1313 HB2 24.6255 1.0202 29.2402 H 85 LEU39185 1.0000 + 1314 CG 25.0770 1.6300 31.2220 C.3 85 LEU39185 1.0000 + 1315 HG 24.8525 2.4484 31.9060 H 85 LEU39185 1.0000 + 1316 CD1 24.5570 0.3290 31.8180 C.3 85 LEU39185 1.0000 + 1317 HD11 25.0342 0.1542 32.7823 H 85 LEU39185 1.0000 + 1318 HD12 23.4777 0.3970 31.9544 H 85 LEU39185 1.0000 + 1319 HD13 24.7863 -0.4969 31.1447 H 85 LEU39185 1.0000 + 1320 CD2 26.5930 1.6220 31.0590 C.3 85 LEU39185 1.0000 + 1321 HD21 27.0620 1.4399 32.0260 H 85 LEU39185 1.0000 + 1322 HD22 26.8799 0.8342 30.3625 H 85 LEU39185 1.0000 + 1323 HD23 26.9224 2.5862 30.6719 H 85 LEU39185 1.0000 + 1324 N 22.7220 4.3240 30.7970 N.am 86 VAL39286 1.0000 + 1325 HN 23.0825 4.6043 29.8738 H 86 VAL39286 1.0000 + 1326 CA 22.4250 5.3610 31.7710 C.3 86 VAL39286 1.0000 + 1327 HA 22.9434 5.1978 32.7158 H 86 VAL39286 1.0000 + 1328 C 20.9440 5.4350 32.0940 C.2 86 VAL39286 1.0000 + 1329 O 20.5150 5.6460 33.2290 O.2 86 VAL39286 1.0000 + 1330 CB 22.9090 6.7350 31.2580 C.3 86 VAL39286 1.0000 + 1331 HB 22.5623 6.8982 30.2376 H 86 VAL39286 1.0000 + 1332 CG1 22.3690 7.8390 32.1380 C.3 86 VAL39286 1.0000 + 1333 HG11 22.7167 8.8031 31.7668 H 86 VAL39286 1.0000 + 1334 HG12 21.2793 7.8160 32.1231 H 86 VAL39286 1.0000 + 1335 HG13 22.7210 7.6951 33.1595 H 86 VAL39286 1.0000 + 1336 CG2 24.4290 6.7510 31.2220 C.3 86 VAL39286 1.0000 + 1337 HG21 24.7742 7.7196 30.8603 H 86 VAL39286 1.0000 + 1338 HG22 24.8186 6.5785 32.2253 H 86 VAL39286 1.0000 + 1339 HG23 24.7854 5.9664 30.5546 H 86 VAL39286 1.0000 + 1340 N 20.1370 5.2560 31.0560 N.am 87 TRP39387 1.0000 + 1341 HN 20.5424 5.0984 30.1224 H 87 TRP39387 1.0000 + 1342 CA 18.6920 5.2780 31.2110 C.3 87 TRP39387 1.0000 + 1343 HA 18.3452 6.1772 31.7202 H 87 TRP39387 1.0000 + 1344 C 18.1810 4.0950 32.0230 C.2 87 TRP39387 1.0000 + 1345 O 17.2570 4.2400 32.8180 O.2 87 TRP39387 1.0000 + 1346 CB 18.0290 5.2680 29.8330 C.3 87 TRP39387 1.0000 + 1347 HB1 18.5550 4.5497 29.2041 H 87 TRP39387 1.0000 + 1348 HB2 18.0997 6.2704 29.4106 H 87 TRP39387 1.0000 + 1349 CG 16.5840 4.8830 29.8550 C.ar 87 TRP39387 1.0000 + 1350 CD1 16.0580 3.6960 29.4250 C.ar 87 TRP39387 1.0000 + 1351 HD1 16.6383 2.8730 29.0079 H 87 TRP39387 1.0000 + 1352 CD2 15.4760 5.6630 30.3190 C.ar 87 TRP39387 1.0000 + 1353 NE1 14.6970 3.6880 29.5930 N.ar 87 TRP39387 1.0000 + 1354 HE1 14.0664 2.9111 29.3488 H 87 TRP39387 1.0000 + 1355 CE2 14.3150 4.8860 30.1400 C.ar 87 TRP39387 1.0000 + 1356 CE3 15.3600 6.9460 30.8710 C.ar 87 TRP39387 1.0000 + 1357 HE3 16.2391 7.5720 31.0240 H 87 TRP39387 1.0000 + 1358 CZ2 13.0420 5.3370 30.4900 C.ar 87 TRP39387 1.0000 + 1359 HZ2 12.1551 4.7203 30.3448 H 87 TRP39387 1.0000 + 1360 CZ3 14.0980 7.3950 31.2160 C.ar 87 TRP39387 1.0000 + 1361 HZ3 13.9838 8.3908 31.6443 H 87 TRP39387 1.0000 + 1362 CH2 12.9650 6.5960 31.0260 C.ar 87 TRP39387 1.0000 + 1363 HH2 11.9894 6.9877 31.3137 H 87 TRP39387 1.0000 + 1364 N 18.7620 2.9060 31.8150 N.am 88 ARG39488 1.0000 + 1365 HN 19.5515 2.8037 31.1614 H 88 ARG39488 1.0000 + 1366 CA 18.2300 1.7530 32.5550 C.3 88 ARG39488 1.0000 + 1367 HA 17.1488 1.8404 32.6624 H 88 ARG39488 1.0000 + 1368 C 18.8540 1.6840 33.9410 C.2 88 ARG39488 1.0000 + 1369 O 18.3690 1.0060 34.8520 O.2 88 ARG39488 1.0000 + 1370 CB 18.3770 0.4760 31.7350 C.3 88 ARG39488 1.0000 + 1371 HB1 17.8678 0.6511 30.7873 H 88 ARG39488 1.0000 + 1372 HB2 17.9081 -0.3223 32.3103 H 88 ARG39488 1.0000 + 1373 CG 19.7370 -0.0420 31.3680 C.3 88 ARG39488 1.0000 + 1374 HG1 20.3134 -0.3529 32.2393 H 88 ARG39488 1.0000 + 1375 HG2 20.3413 0.7036 30.8513 H 88 ARG39488 1.0000 + 1376 CD 19.6690 -1.2620 30.4380 C.3 88 ARG39488 1.0000 + 1377 HD1 19.1438 -0.9590 29.5322 H 88 ARG39488 1.0000 + 1378 HD2 19.1274 -2.0488 30.9631 H 88 ARG39488 1.0000 + 1379 NE 21.0490 -1.6740 30.1400 N.pl3 88 ARG39488 1.0000 + 1380 HE 21.5582 -2.2516 30.8241 H 88 ARG39488 1.0000 + 1381 CZ 21.6590 -1.3200 29.0080 C.cat 88 ARG39488 1.0000 + 1382 NH1 21.0170 -0.5890 28.1080 N.pl3 88 ARG39488 1.0000 + 1383 HH11 21.4893 -0.3163 27.2342 H 88 ARG39488 1.0000 + 1384 HH12 20.0458 -0.2937 28.2823 H 88 ARG39488 1.0000 + 1385 NH2 22.9030 -1.6970 28.7620 N.pl3 88 ARG39488 1.0000 + 1386 HH21 23.3620 -1.4165 27.8836 H 88 ARG39488 1.0000 + 1387 HH22 23.4126 -2.2710 29.4489 H 88 ARG39488 1.0000 + 1388 N 19.9370 2.4220 34.1730 N.am 89 SER39589 1.0000 + 1389 HN 20.3716 2.9572 33.4078 H 89 SER39589 1.0000 + 1390 CA 20.5080 2.4700 35.5200 C.3 89 SER39589 1.0000 + 1391 HA 20.3398 1.5516 36.0825 H 89 SER39589 1.0000 + 1392 C 19.9230 3.5980 36.3710 C.2 89 SER39589 1.0000 + 1393 O 20.2440 3.6840 37.5550 O.2 89 SER39589 1.0000 + 1394 CB 22.0320 2.6150 35.4290 C.3 89 SER39589 1.0000 + 1395 HB1 22.4813 2.3558 36.3877 H 89 SER39589 1.0000 + 1396 HB2 22.2864 3.6445 35.1771 H 89 SER39589 1.0000 + 1397 OG 22.5340 1.7450 34.4220 O.3 89 SER39589 1.0000 + 1398 HG 22.0615 1.9442 33.5287 H 89 SER39589 1.0000 + 1399 N 19.0980 4.4550 35.7910 N.am 90 MET39690 1.0000 + 1400 HN 18.8585 4.2942 34.8022 H 90 MET39690 1.0000 + 1401 CA 18.5080 5.6030 36.4480 C.3 90 MET39690 1.0000 + 1402 HA 19.2025 6.4332 36.5767 H 90 MET39690 1.0000 + 1403 C 17.9840 5.2980 37.8480 C.2 90 MET39690 1.0000 + 1404 O 18.3900 5.9480 38.8060 O.2 90 MET39690 1.0000 + 1405 CB 17.3260 6.1380 35.6310 C.3 90 MET39690 1.0000 + 1406 HB1 16.5066 6.3523 36.3172 H 90 MET39690 1.0000 + 1407 HB2 17.0354 5.3730 34.9110 H 90 MET39690 1.0000 + 1408 CG 17.6180 7.4100 34.8550 C.3 90 MET39690 1.0000 + 1409 HG1 18.4346 7.2477 34.1514 H 90 MET39690 1.0000 + 1410 HG2 17.9018 8.2137 35.5344 H 90 MET39690 1.0000 + 1411 SD 16.1540 7.9340 33.9250 S.3 90 MET39690 1.0000 + 1412 CE 15.5550 9.1990 35.0290 C.3 90 MET39690 1.0000 + 1413 HE1 14.6474 9.6409 34.6178 H 90 MET39690 1.0000 + 1414 HE2 15.3357 8.7589 36.0018 H 90 MET39690 1.0000 + 1415 HE3 16.3151 9.9718 35.1434 H 90 MET39690 1.0000 + 1416 N 17.0830 4.3280 37.9250 N.am 91 GLU39791 1.0000 + 1417 HN 16.8295 3.8226 37.0641 H 91 GLU39791 1.0000 + 1418 CA 16.4370 3.9460 39.1700 C.3 91 GLU39791 1.0000 + 1419 HA 16.2649 4.8091 39.8131 H 91 GLU39791 1.0000 + 1420 C 17.2850 2.9530 39.9600 C.2 91 GLU39791 1.0000 + 1421 O 16.7770 2.2080 40.8020 O.2 91 GLU39791 1.0000 + 1422 CB 15.0570 3.3360 38.9220 C.3 91 GLU39791 1.0000 + 1423 HB1 14.4782 3.4235 39.8415 H 91 GLU39791 1.0000 + 1424 HB2 15.1938 2.2898 38.6483 H 91 GLU39791 1.0000 + 1425 CG 14.2520 3.9910 37.8170 C.3 91 GLU39791 1.0000 + 1426 HG1 14.8764 4.1842 36.9447 H 91 GLU39791 1.0000 + 1427 HG2 13.8354 4.9410 38.1517 H 91 GLU39791 1.0000 + 1428 CD 13.1000 3.0970 37.3840 C.2 91 GLU39791 1.0000 + 1429 OE1 13.3760 1.9590 36.9230 O.co2 91 GLU39791 1.0000 + 1430 OE2 11.9350 3.5400 37.5110 O.co2 91 GLU39791 1.0000 + 1431 N 18.5810 2.9570 39.6780 N.am 92 HIS39892 1.0000 + 1432 HN 18.9276 3.5771 38.9321 H 92 HIS39892 1.0000 + 1433 CA 19.5300 2.1110 40.3910 C.3 92 HIS39892 1.0000 + 1434 HA 19.0658 1.6818 41.2789 H 92 HIS39892 1.0000 + 1435 C 20.7480 2.9240 40.8270 C.2 92 HIS39892 1.0000 + 1436 O 21.8560 2.6830 40.3550 O.2 92 HIS39892 1.0000 + 1437 CB 19.9480 0.9050 39.5400 C.3 92 HIS39892 1.0000 + 1438 HB1 20.6337 0.2356 40.0594 H 92 HIS39892 1.0000 + 1439 HB2 20.4541 1.1906 38.6178 H 92 HIS39892 1.0000 + 1440 CG 18.7860 0.0540 39.1210 C.ar 92 HIS39892 1.0000 + 1441 ND1 18.3830 -1.0640 39.8130 N.ar 92 HIS39892 1.0000 + 1442 CD2 17.9280 0.1700 38.0800 C.ar 92 HIS39892 1.0000 + 1443 HD2 17.9409 0.9491 37.3178 H 92 HIS39892 1.0000 + 1444 CE1 17.3370 -1.6040 39.2200 C.ar 92 HIS39892 1.0000 + 1445 HE1 16.8094 -2.4995 39.5483 H 92 HIS39892 1.0000 + 1446 NE2 17.0370 -0.8750 38.1600 N.ar 92 HIS39892 1.0000 + 1447 HE2 16.2650 -1.0584 37.5032 H 92 HIS39892 1.0000 + 1448 N 20.5030 3.8640 41.7410 N.am 93 PRO39993 1.0000 + 1449 CA 21.5640 4.7120 42.2790 C.3 93 PRO39993 1.0000 + 1450 HA 21.9018 5.4404 41.5418 H 93 PRO39993 1.0000 + 1451 C 22.7790 3.8840 42.6990 C.2 93 PRO39993 1.0000 + 1452 O 22.6330 2.8130 43.2760 O.2 93 PRO39993 1.0000 + 1453 CB 20.9330 5.3450 43.5160 C.3 93 PRO39993 1.0000 + 1454 HB1 21.3504 6.3504 43.5718 H 93 PRO39993 1.0000 + 1455 HB2 21.2304 4.7095 44.3502 H 93 PRO39993 1.0000 + 1456 CG 19.4640 5.3320 43.2620 C.3 93 PRO39993 1.0000 + 1457 HG1 19.2164 6.2901 42.8050 H 93 PRO39993 1.0000 + 1458 HG2 18.9796 5.2023 44.2298 H 93 PRO39993 1.0000 + 1459 CD 19.1970 4.1850 42.3420 C.3 93 PRO39993 1.0000 + 1460 HD1 18.8917 3.2753 42.8590 H 93 PRO39993 1.0000 + 1461 HD2 18.5537 4.4434 41.5008 H 93 PRO39993 1.0000 + 1462 N 23.9310 4.4330 42.3670 N.am 94 GLY40094 1.0000 + 1463 HN 23.8719 5.3126 41.8344 H 94 GLY40094 1.0000 + 1464 CA 25.2560 3.9630 42.6520 C.3 94 GLY40094 1.0000 + 1465 HA1 25.3823 3.6289 43.6818 H 94 GLY40094 1.0000 + 1466 HA2 26.0244 4.7204 42.4969 H 94 GLY40094 1.0000 + 1467 C 25.6730 2.7820 41.7900 C.2 94 GLY40094 1.0000 + 1468 O 26.8200 2.3430 41.9030 O.2 94 GLY40094 1.0000 + 1469 N 24.7590 2.2910 40.9590 N.am 95 LYS40195 1.0000 + 1470 HN 23.8504 2.7708 40.8879 H 95 LYS40195 1.0000 + 1471 CA 24.9840 1.1100 40.1480 C.3 95 LYS40195 1.0000 + 1472 HA 26.0406 0.8495 40.2109 H 95 LYS40195 1.0000 + 1473 C 24.6390 1.2780 38.6730 C.2 95 LYS40195 1.0000 + 1474 O 23.7210 1.9630 38.2320 O.2 95 LYS40195 1.0000 + 1475 CB 24.1530 -0.0550 40.7190 C.3 95 LYS40195 1.0000 + 1476 HB1 24.0357 -0.8835 40.0205 H 95 LYS40195 1.0000 + 1477 HB2 23.1397 0.2344 40.9976 H 95 LYS40195 1.0000 + 1478 CG 24.7570 -0.6660 41.9720 C.3 95 LYS40195 1.0000 + 1479 HG1 24.7337 0.0189 42.8196 H 95 LYS40195 1.0000 + 1480 HG2 25.8002 -0.9500 41.8331 H 95 LYS40195 1.0000 + 1481 CD 24.0230 -1.9240 42.4140 C.3 95 LYS40195 1.0000 + 1482 HD1 24.0576 -2.7077 41.6572 H 95 LYS40195 1.0000 + 1483 HD2 22.9694 -1.7347 42.6195 H 95 LYS40195 1.0000 + 1484 CE 24.6150 -2.5180 43.6840 C.3 95 LYS40195 1.0000 + 1485 HE1 23.8769 -3.0483 44.2857 H 95 LYS40195 1.0000 + 1486 HE2 25.0504 -1.7638 44.3395 H 95 LYS40195 1.0000 + 1487 NZ 25.7080 -3.5050 43.4080 N.4 95 LYS40195 1.0000 + 1488 HZ1 26.0710 -3.8739 44.2985 H 95 LYS40195 1.0000 + 1489 HZ2 25.3358 -4.2807 42.8418 H 95 LYS40195 1.0000 + 1490 HZ3 26.4696 -3.0398 42.8937 H 95 LYS40195 1.0000 + 1491 N 25.4160 0.5810 37.8340 N.am 96 LEU40296 1.0000 + 1492 HN 26.2293 0.0587 38.1898 H 96 LEU40296 1.0000 + 1493 CA 25.0990 0.5700 36.4180 C.3 96 LEU40296 1.0000 + 1494 HA 24.4044 1.3740 36.1745 H 96 LEU40296 1.0000 + 1495 C 24.4570 -0.7540 36.0230 C.2 96 LEU40296 1.0000 + 1496 O 25.0490 -1.8130 36.2410 O.2 96 LEU40296 1.0000 + 1497 CB 26.3830 0.8130 35.6230 C.3 96 LEU40296 1.0000 + 1498 HB1 26.1462 0.7332 34.5620 H 96 LEU40296 1.0000 + 1499 HB2 27.1114 0.0561 35.9139 H 96 LEU40296 1.0000 + 1500 CG 27.0290 2.1850 35.8490 C.3 96 LEU40296 1.0000 + 1501 HG 27.0122 2.4590 36.9039 H 96 LEU40296 1.0000 + 1502 CD1 28.4770 2.1910 35.3930 C.3 96 LEU40296 1.0000 + 1503 HD11 28.9087 3.1768 35.5656 H 96 LEU40296 1.0000 + 1504 HD12 29.0387 1.4453 35.9556 H 96 LEU40296 1.0000 + 1505 HD13 28.5247 1.9552 34.3299 H 96 LEU40296 1.0000 + 1506 CD2 26.2070 3.2580 35.1510 C.3 96 LEU40296 1.0000 + 1507 HD21 26.6680 4.2324 35.3130 H 96 LEU40296 1.0000 + 1508 HD22 26.1677 3.0484 34.0821 H 96 LEU40296 1.0000 + 1509 HD23 25.1955 3.2632 35.5571 H 96 LEU40296 1.0000 + 1510 N 23.2630 -0.7030 35.4490 N.am 97 LEU40397 1.0000 + 1511 HN 22.8082 0.2132 35.3278 H 97 LEU40397 1.0000 + 1512 CA 22.5740 -1.8950 34.9850 C.3 97 LEU40397 1.0000 + 1513 HA 22.8280 -2.7711 35.5817 H 97 LEU40397 1.0000 + 1514 C 22.9240 -2.2300 33.5330 C.2 97 LEU40397 1.0000 + 1515 O 22.1780 -1.9300 32.5970 O.2 97 LEU40397 1.0000 + 1516 CB 21.0590 -1.7290 35.1450 C.3 97 LEU40397 1.0000 + 1517 HB1 20.7040 -1.0889 34.3373 H 97 LEU40397 1.0000 + 1518 HB2 20.8720 -1.2709 36.1162 H 97 LEU40397 1.0000 + 1519 CG 20.2400 -3.0220 35.0900 C.3 97 LEU40397 1.0000 + 1520 HG 20.2824 -3.4453 34.0864 H 97 LEU40397 1.0000 + 1521 CD1 20.8020 -4.0340 36.0810 C.3 97 LEU40397 1.0000 + 1522 HD11 20.2149 -4.9513 36.0367 H 97 LEU40397 1.0000 + 1523 HD12 21.8389 -4.2543 35.8274 H 97 LEU40397 1.0000 + 1524 HD13 20.7548 -3.6213 37.0887 H 97 LEU40397 1.0000 + 1525 CD2 18.7650 -2.7640 35.3600 C.3 97 LEU40397 1.0000 + 1526 HD21 18.2164 -3.7047 35.3125 H 97 LEU40397 1.0000 + 1527 HD22 18.6478 -2.3253 36.3509 H 97 LEU40397 1.0000 + 1528 HD23 18.3726 -2.0769 34.6103 H 97 LEU40397 1.0000 + 1529 N 24.0730 -2.8800 33.3670 N.am 98 PHE40498 1.0000 + 1530 HN 24.6687 -3.0462 34.1907 H 98 PHE40498 1.0000 + 1531 CA 24.5260 -3.3680 32.0670 C.3 98 PHE40498 1.0000 + 1532 HA 24.6597 -2.5364 31.3752 H 98 PHE40498 1.0000 + 1533 C 23.5030 -4.3310 31.4760 C.2 98 PHE40498 1.0000 + 1534 O 23.1450 -4.2140 30.3050 O.2 98 PHE40498 1.0000 + 1535 CB 25.8970 -4.0130 32.2210 C.3 98 PHE40498 1.0000 + 1536 HB1 26.2082 -4.5521 31.3262 H 98 PHE40498 1.0000 + 1537 HB2 25.9304 -4.7338 33.0379 H 98 PHE40498 1.0000 + 1538 CG 26.9890 -2.9980 32.5060 C.ar 98 PHE40498 1.0000 + 1539 CD1 27.5330 -2.2590 31.4680 C.ar 98 PHE40498 1.0000 + 1540 HD1 27.1689 -2.4074 30.4514 H 98 PHE40498 1.0000 + 1541 CD2 27.4740 -2.7860 33.7780 C.ar 98 PHE40498 1.0000 + 1542 HD2 27.0649 -3.3613 34.6085 H 98 PHE40498 1.0000 + 1543 CE1 28.5300 -1.3380 31.7080 C.ar 98 PHE40498 1.0000 + 1544 HE1 28.9442 -0.7691 30.8756 H 98 PHE40498 1.0000 + 1545 CE2 28.4660 -1.8610 34.0210 C.ar 98 PHE40498 1.0000 + 1546 HE2 28.8241 -1.7077 35.0390 H 98 PHE40498 1.0000 + 1547 CZ 29.0130 -1.1230 32.9810 C.ar 98 PHE40498 1.0000 + 1548 HZ 29.8021 -0.3941 33.1654 H 98 PHE40498 1.0000 + 1549 N 23.0270 -5.2520 32.2990 N.am 99 ALA40599 1.0000 + 1550 HN 23.4842 -5.3391 33.2179 H 99 ALA40599 1.0000 + 1551 CA 21.9160 -6.1540 32.0250 C.3 99 ALA40599 1.0000 + 1552 HA 21.2072 -5.6868 31.3413 H 99 ALA40599 1.0000 + 1553 C 21.1830 -6.5050 33.3200 C.2 99 ALA40599 1.0000 + 1554 O 21.7630 -6.3640 34.4080 O.2 99 ALA40599 1.0000 + 1555 CB 22.4150 -7.3970 31.3160 C.3 99 ALA40599 1.0000 + 1556 HB1 21.5760 -8.0636 31.1164 H 99 ALA40599 1.0000 + 1557 HB2 22.8859 -7.1145 30.3744 H 99 ALA40599 1.0000 + 1558 HB3 23.1425 -7.9082 31.9465 H 99 ALA40599 1.0000 + 1559 N 19.9300 -6.9330 33.2460 N.am 100 PRO406100 1.0000 + 1560 CA 19.1780 -7.2900 34.4630 C.3 100 PRO406100 1.0000 + 1561 HA 18.9477 -6.4219 35.0807 H 100 PRO406100 1.0000 + 1562 C 19.9400 -8.2580 35.3550 C.2 100 PRO406100 1.0000 + 1563 O 19.7940 -8.2220 36.5810 O.2 100 PRO406100 1.0000 + 1564 CB 17.9030 -7.9200 33.9080 C.3 100 PRO406100 1.0000 + 1565 HB1 17.0620 -7.7561 34.5818 H 100 PRO406100 1.0000 + 1566 HB2 18.0244 -8.9953 33.7776 H 100 PRO406100 1.0000 + 1567 CG 17.7050 -7.2230 32.5970 C.3 100 PRO406100 1.0000 + 1568 HG1 17.2357 -6.2498 32.7414 H 100 PRO406100 1.0000 + 1569 HG2 17.0668 -7.8107 31.9371 H 100 PRO406100 1.0000 + 1570 CD 19.1000 -7.0880 32.0420 C.3 100 PRO406100 1.0000 + 1571 HD1 19.3964 -7.9692 31.4731 H 100 PRO406100 1.0000 + 1572 HD2 19.1934 -6.2210 31.3880 H 100 PRO406100 1.0000 + 1573 N 20.7720 -9.1130 34.7720 N.am 101 ASN407101 1.0000 + 1574 HN 20.8392 -9.1478 33.7448 H 101 ASN407101 1.0000 + 1575 CA 21.5900 -10.0020 35.5870 C.3 101 ASN407101 1.0000 + 1576 HA 21.1890 -10.0756 36.5979 H 101 ASN407101 1.0000 + 1577 C 23.0170 -9.4860 35.6780 C.2 101 ASN407101 1.0000 + 1578 O 23.9640 -10.2290 35.9400 O.2 101 ASN407101 1.0000 + 1579 CB 21.5990 -11.4270 35.0260 C.3 101 ASN407101 1.0000 + 1580 HB1 20.5817 -11.8066 34.9312 H 101 ASN407101 1.0000 + 1581 HB2 22.1551 -12.0936 35.6852 H 101 ASN407101 1.0000 + 1582 CG 22.2500 -11.4550 33.6570 C.2 101 ASN407101 1.0000 + 1583 OD1 22.3070 -10.4120 33.0000 O.2 101 ASN407101 1.0000 + 1584 ND2 22.7280 -12.6190 33.2430 N.am 101 ASN407101 1.0000 + 1585 HD21 22.6467 -13.4520 33.8434 H 101 ASN407101 1.0000 + 1586 HD22 23.1808 -12.6911 32.3207 H 101 ASN407101 1.0000 + 1587 N 23.2060 -8.1810 35.4790 N.am 102 LEU408102 1.0000 + 1588 HN 22.4307 -7.5513 35.2274 H 102 LEU408102 1.0000 + 1589 CA 24.5840 -7.6910 35.6390 C.3 102 LEU408102 1.0000 + 1590 HA 25.0776 -8.2683 36.4208 H 102 LEU408102 1.0000 + 1591 C 24.5450 -6.2150 36.0280 C.2 102 LEU408102 1.0000 + 1592 O 24.6480 -5.3160 35.2000 O.2 102 LEU408102 1.0000 + 1593 CB 25.3980 -7.9280 34.3830 C.3 102 LEU408102 1.0000 + 1594 HB1 25.0030 -7.2671 33.6114 H 102 LEU408102 1.0000 + 1595 HB2 25.2776 -8.9769 34.1121 H 102 LEU408102 1.0000 + 1596 CG 26.8970 -7.6720 34.4350 C.3 102 LEU408102 1.0000 + 1597 HG 27.1142 -6.6762 34.8213 H 102 LEU408102 1.0000 + 1598 CD1 27.5990 -8.6820 35.3380 C.3 102 LEU408102 1.0000 + 1599 HD11 28.6687 -8.4732 35.3548 H 102 LEU408102 1.0000 + 1600 HD12 27.1986 -8.6061 36.3490 H 102 LEU408102 1.0000 + 1601 HD13 27.4319 -9.6892 34.9562 H 102 LEU408102 1.0000 + 1602 CD2 27.4850 -7.7060 33.0330 C.3 102 LEU408102 1.0000 + 1603 HD21 28.5581 -7.5214 33.0839 H 102 LEU408102 1.0000 + 1604 HD22 27.3059 -8.6843 32.5869 H 102 LEU408102 1.0000 + 1605 HD23 27.0131 -6.9367 32.4218 H 102 LEU408102 1.0000 + 1606 N 24.3660 -6.0370 37.3290 N.am 103 LEU409103 1.0000 + 1607 HN 24.2774 -6.8849 37.9070 H 103 LEU409103 1.0000 + 1608 CA 24.2830 -4.7650 38.0160 C.3 103 LEU409103 1.0000 + 1609 HA 24.0650 -3.9845 37.2870 H 103 LEU409103 1.0000 + 1610 C 25.6160 -4.4860 38.6980 C.2 103 LEU409103 1.0000 + 1611 O 25.9330 -5.2280 39.6310 O.2 103 LEU409103 1.0000 + 1612 CB 23.1610 -4.7960 39.0520 C.3 103 LEU409103 1.0000 + 1613 HB1 23.4428 -5.5064 39.8292 H 103 LEU409103 1.0000 + 1614 HB2 22.2479 -5.1109 38.5469 H 103 LEU409103 1.0000 + 1615 CG 22.8540 -3.4700 39.7470 C.3 103 LEU409103 1.0000 + 1616 HG 23.7227 -3.1347 40.3137 H 103 LEU409103 1.0000 + 1617 CD1 22.5010 -2.4110 38.7170 C.3 103 LEU409103 1.0000 + 1618 HD11 22.2839 -1.4700 39.2224 H 103 LEU409103 1.0000 + 1619 HD12 23.3405 -2.2718 38.0358 H 103 LEU409103 1.0000 + 1620 HD13 21.6249 -2.7302 38.1525 H 103 LEU409103 1.0000 + 1621 CD2 21.7390 -3.6300 40.7690 C.3 103 LEU409103 1.0000 + 1622 HD21 21.5430 -2.6702 41.2469 H 103 LEU409103 1.0000 + 1623 HD22 20.8348 -3.9780 40.2695 H 103 LEU409103 1.0000 + 1624 HD23 22.0390 -4.3567 41.5240 H 103 LEU409103 1.0000 + 1625 N 26.3490 -3.4850 38.2210 N.am 104 LEU410104 1.0000 + 1626 HN 25.9681 -2.8738 37.4847 H 104 LEU410104 1.0000 + 1627 CA 27.6940 -3.2510 38.7400 C.3 104 LEU410104 1.0000 + 1628 HA 27.9793 -3.9785 39.4999 H 104 LEU410104 1.0000 + 1629 C 27.8380 -1.8770 39.3860 C.2 104 LEU410104 1.0000 + 1630 O 27.3220 -0.8550 38.9360 O.2 104 LEU410104 1.0000 + 1631 CB 28.7240 -3.4400 37.6270 C.3 104 LEU410104 1.0000 + 1632 HB1 29.6992 -3.1759 38.0362 H 104 LEU410104 1.0000 + 1633 HB2 28.4439 -2.7787 36.8070 H 104 LEU410104 1.0000 + 1634 CG 28.8720 -4.8350 37.0250 C.3 104 LEU410104 1.0000 + 1635 HG 27.9465 -5.1590 36.5490 H 104 LEU410104 1.0000 + 1636 CD1 29.9730 -4.8660 35.9680 C.3 104 LEU410104 1.0000 + 1637 HD11 30.0549 -5.8724 35.5573 H 104 LEU410104 1.0000 + 1638 HD12 29.7294 -4.1665 35.1683 H 104 LEU410104 1.0000 + 1639 HD13 30.9219 -4.5813 36.4226 H 104 LEU410104 1.0000 + 1640 CD2 29.1720 -5.8780 38.0880 C.3 104 LEU410104 1.0000 + 1641 HD21 29.2701 -6.8573 37.6195 H 104 LEU410104 1.0000 + 1642 HD22 30.1027 -5.6235 38.5950 H 104 LEU410104 1.0000 + 1643 HD23 28.3587 -5.9027 38.8133 H 104 LEU410104 1.0000 + 1644 N 28.5680 -1.8600 40.4980 N.am 105 ASP411105 1.0000 + 1645 HN 28.9404 -2.7496 40.8598 H 105 ASP411105 1.0000 + 1646 CA 28.8610 -0.6300 41.2240 C.3 105 ASP411105 1.0000 + 1647 HA 28.1515 0.1457 40.9359 H 105 ASP411105 1.0000 + 1648 C 30.2770 -0.1620 40.8960 C.2 105 ASP411105 1.0000 + 1649 O 31.0220 -0.8360 40.1810 O.2 105 ASP411105 1.0000 + 1650 CB 28.7090 -0.8060 42.7290 C.3 105 ASP411105 1.0000 + 1651 HB1 27.6948 -1.1572 42.9191 H 105 ASP411105 1.0000 + 1652 HB2 28.8852 0.1640 43.1939 H 105 ASP411105 1.0000 + 1653 CG 29.6390 -1.7840 43.4030 C.2 105 ASP411105 1.0000 + 1654 OD1 30.7630 -2.0360 42.9140 O.co2 105 ASP411105 1.0000 + 1655 OD2 29.2430 -2.3270 44.4650 O.co2 105 ASP411105 1.0000 + 1656 N 30.6120 0.9940 41.4420 N.am 106 ARG412106 1.0000 + 1657 HN 29.9282 1.4554 42.0588 H 106 ARG412106 1.0000 + 1658 CA 31.8930 1.6540 41.2220 C.3 106 ARG412106 1.0000 + 1659 HA 31.9723 1.9073 40.1648 H 106 ARG412106 1.0000 + 1660 C 33.0930 0.8030 41.5860 C.2 106 ARG412106 1.0000 + 1661 O 34.1170 0.7670 40.8850 O.2 106 ARG412106 1.0000 + 1662 CB 31.8430 2.9530 42.0250 C.3 106 ARG412106 1.0000 + 1663 HB1 31.1075 2.8239 42.8191 H 106 ARG412106 1.0000 + 1664 HB2 31.5511 3.7527 41.3443 H 106 ARG412106 1.0000 + 1665 CG 33.1290 3.3900 42.6870 C.3 106 ARG412106 1.0000 + 1666 HG1 33.9518 3.1903 42.0005 H 106 ARG412106 1.0000 + 1667 HG2 33.2501 2.8199 43.6081 H 106 ARG412106 1.0000 + 1668 CD 33.0290 4.8860 42.9880 C.3 106 ARG412106 1.0000 + 1669 HD1 33.1429 5.0549 44.0588 H 106 ARG412106 1.0000 + 1670 HD2 32.0575 5.2623 42.6675 H 106 ARG412106 1.0000 + 1671 NE 34.0830 5.6060 42.2730 N.pl3 106 ARG412106 1.0000 + 1672 HE 33.8244 6.2042 41.4753 H 106 ARG412106 1.0000 + 1673 CZ 35.3610 5.5140 42.6180 C.cat 106 ARG412106 1.0000 + 1674 NH1 35.7170 4.7510 43.6430 N.pl3 106 ARG412106 1.0000 + 1675 HH11 36.7088 4.6791 43.9114 H 106 ARG412106 1.0000 + 1676 HH12 35.0016 4.2306 44.1705 H 106 ARG412106 1.0000 + 1677 NH2 36.2630 6.1950 41.9260 N.pl3 106 ARG412106 1.0000 + 1678 HH21 37.2594 6.1353 42.1799 H 106 ARG412106 1.0000 + 1679 HH22 35.9676 6.7839 41.1342 H 106 ARG412106 1.0000 + 1680 N 33.0560 0.0600 42.6990 N.am 107 ASN413107 1.0000 + 1681 HN 32.2364 0.0545 43.3228 H 107 ASN413107 1.0000 + 1682 CA 34.2510 -0.7470 42.9800 C.3 107 ASN413107 1.0000 + 1683 HA 35.1568 -0.1452 42.9064 H 107 ASN413107 1.0000 + 1684 C 34.3770 -1.9000 41.9950 C.2 107 ASN413107 1.0000 + 1685 O 35.4900 -2.3300 41.6960 O.2 107 ASN413107 1.0000 + 1686 CB 34.2290 -1.2550 44.4160 C.3 107 ASN413107 1.0000 + 1687 HB1 34.8305 -2.1586 44.5151 H 107 ASN413107 1.0000 + 1688 HB2 33.2109 -1.4886 44.7273 H 107 ASN413107 1.0000 + 1689 CG 34.7860 -0.2090 45.3650 C.2 107 ASN413107 1.0000 + 1690 OD1 34.0800 0.7290 45.7300 O.2 107 ASN413107 1.0000 + 1691 ND2 36.0440 -0.3770 45.7630 N.am 107 ASN413107 1.0000 + 1692 HD21 36.5882 -1.1830 45.4238 H 107 ASN413107 1.0000 + 1693 HD22 36.4740 0.2990 46.4103 H 107 ASN413107 1.0000 + 1694 N 33.2530 -2.3830 41.4750 N.am 108 GLN414108 1.0000 + 1695 HN 32.3498 -1.9971 41.7851 H 108 GLN414108 1.0000 + 1696 CA 33.2670 -3.4460 40.4760 C.3 108 GLN414108 1.0000 + 1697 HA 33.8112 -4.3260 40.8188 H 108 GLN414108 1.0000 + 1698 C 33.9250 -3.0060 39.1790 C.2 108 GLN414108 1.0000 + 1699 O 34.2960 -3.8550 38.3670 O.2 108 GLN414108 1.0000 + 1700 CB 31.8410 -3.9490 40.1970 C.3 108 GLN414108 1.0000 + 1701 HB1 31.6769 -4.1394 39.1364 H 108 GLN414108 1.0000 + 1702 HB2 31.0865 -3.2274 40.5102 H 108 GLN414108 1.0000 + 1703 CG 31.5440 -5.2440 40.9290 C.3 108 GLN414108 1.0000 + 1704 HG1 32.1128 -5.2366 41.8588 H 108 GLN414108 1.0000 + 1705 HG2 31.8529 -6.0669 40.2844 H 108 GLN414108 1.0000 + 1706 CD 30.1020 -5.5000 41.3020 C.2 108 GLN414108 1.0000 + 1707 OE1 29.7290 -6.6560 41.5500 O.2 108 GLN414108 1.0000 + 1708 NE2 29.2670 -4.4650 41.3570 N.am 108 GLN414108 1.0000 + 1709 HE21 29.6080 -3.5164 41.1452 H 108 GLN414108 1.0000 + 1710 HE22 28.2799 -4.6127 41.6112 H 108 GLN414108 1.0000 + 1711 N 34.0850 -1.7050 38.9580 N.am 109 GLY415109 1.0000 + 1712 HN 33.7364 -1.0235 39.6471 H 109 GLY415109 1.0000 + 1713 CA 34.7500 -1.2340 37.7480 C.3 109 GLY415109 1.0000 + 1714 HA1 34.4095 -0.2478 37.4323 H 109 GLY415109 1.0000 + 1715 HA2 34.5907 -1.8904 36.8925 H 109 GLY415109 1.0000 + 1716 C 36.2540 -1.1200 37.9060 C.2 109 GLY415109 1.0000 + 1717 O 37.0000 -1.0980 36.9280 O.2 109 GLY415109 1.0000 + 1718 N 36.7110 -1.0450 39.1480 N.am 110 LYS416110 1.0000 + 1719 HN 36.0210 -1.0463 39.9127 H 110 LYS416110 1.0000 + 1720 CA 38.1170 -0.9610 39.5070 C.3 110 LYS416110 1.0000 + 1721 HA 38.5761 -0.0880 39.0432 H 110 LYS416110 1.0000 + 1722 C 38.8600 -2.2050 39.0380 C.2 110 LYS416110 1.0000 + 1723 O 40.0650 -2.2450 38.8250 O.2 110 LYS416110 1.0000 + 1724 CB 38.2830 -0.8160 41.0200 C.3 110 LYS416110 1.0000 + 1725 HB1 39.3442 -0.9131 41.2491 H 110 LYS416110 1.0000 + 1726 HB2 37.7046 -1.6080 41.4956 H 110 LYS416110 1.0000 + 1727 CG 37.8200 0.4910 41.6250 C.3 110 LYS416110 1.0000 + 1728 HG1 36.7401 0.6133 41.5421 H 110 LYS416110 1.0000 + 1729 HG2 38.2793 1.3481 41.1326 H 110 LYS416110 1.0000 + 1730 CD 38.1700 0.5820 43.1040 C.3 110 LYS416110 1.0000 + 1731 HD1 39.2483 0.5270 43.2532 H 110 LYS416110 1.0000 + 1732 HD2 37.7111 -0.2330 43.6637 H 110 LYS416110 1.0000 + 1733 CE 37.6810 1.8920 43.6980 C.3 110 LYS416110 1.0000 + 1734 HE1 36.7252 2.2138 43.2846 H 110 LYS416110 1.0000 + 1735 HE2 38.3721 2.7178 43.5290 H 110 LYS416110 1.0000 + 1736 NZ 37.4840 1.8210 45.1720 N.4 110 LYS416110 1.0000 + 1737 HZ1 37.1535 2.7327 45.5190 H 110 LYS416110 1.0000 + 1738 HZ2 36.7849 1.0969 45.3910 H 110 LYS416110 1.0000 + 1739 HZ3 38.3771 1.5841 45.6272 H 110 LYS416110 1.0000 + 1740 N 38.0940 -3.2770 38.8780 N.am 111 CYS417111 1.0000 + 1741 HN 37.0860 -3.2260 39.0837 H 111 CYS417111 1.0000 + 1742 CA 38.6810 -4.5260 38.4110 C.3 111 CYS417111 1.0000 + 1743 HA 39.3849 -4.9556 39.1239 H 111 CYS417111 1.0000 + 1744 C 39.4480 -4.3670 37.1160 C.2 111 CYS417111 1.0000 + 1745 O 40.4310 -5.0810 36.8820 O.2 111 CYS417111 1.0000 + 1746 CB 37.5490 -5.5530 38.2560 C.3 111 CYS417111 1.0000 + 1747 HB1 37.9234 -6.5733 38.1725 H 111 CYS417111 1.0000 + 1748 HB2 36.9444 -5.3726 37.3672 H 111 CYS417111 1.0000 + 1749 SG 36.4080 -5.5390 39.6640 S.3 111 CYS417111 1.0000 + 1750 HG 36.1362 -4.2725 40.0069 H 111 CYS417111 1.0000 + 1751 N 39.0450 -3.4560 36.2300 N.am 112 VAL418112 1.0000 + 1752 HN 38.2335 -2.8488 36.4136 H 112 VAL418112 1.0000 + 1753 CA 39.8110 -3.3570 34.9790 C.3 112 VAL418112 1.0000 + 1754 HA 40.5961 -4.1126 34.9515 H 112 VAL418112 1.0000 + 1755 C 40.4600 -1.9830 34.8580 C.2 112 VAL418112 1.0000 + 1756 O 39.7910 -0.9690 35.0430 O.2 112 VAL418112 1.0000 + 1757 CB 38.9540 -3.6490 33.7370 C.3 112 VAL418112 1.0000 + 1758 HB 39.0620 -4.6891 33.4295 H 112 VAL418112 1.0000 + 1759 CG1 37.4860 -3.3900 34.0240 C.3 112 VAL418112 1.0000 + 1760 HG11 36.8977 -3.6030 33.1315 H 112 VAL418112 1.0000 + 1761 HG12 37.1554 -4.0342 34.8387 H 112 VAL418112 1.0000 + 1762 HG13 37.3494 -2.3466 34.3081 H 112 VAL418112 1.0000 + 1763 CG2 39.4150 -2.8160 32.5530 C.3 112 VAL418112 1.0000 + 1764 HG21 38.7933 -3.0403 31.6862 H 112 VAL418112 1.0000 + 1765 HG22 39.3285 -1.7573 32.7973 H 112 VAL418112 1.0000 + 1766 HG23 40.4544 -3.0520 32.3248 H 112 VAL418112 1.0000 + 1767 N 41.7480 -2.0010 34.5570 N.am 113 GLU419113 1.0000 + 1768 HN 42.1813 -2.9171 34.3730 H 113 GLU419113 1.0000 + 1769 CA 42.6010 -0.8210 34.4660 C.3 113 GLU419113 1.0000 + 1770 HA 42.8791 -0.4127 35.4376 H 113 GLU419113 1.0000 + 1771 C 41.9530 0.3380 33.7120 C.2 113 GLU419113 1.0000 + 1772 O 41.6180 0.2160 32.5330 O.2 113 GLU419113 1.0000 + 1773 CB 43.9200 -1.2160 33.7920 C.3 113 GLU419113 1.0000 + 1774 HB1 43.7955 -1.0968 32.7157 H 113 GLU419113 1.0000 + 1775 HB2 44.1295 -2.2546 34.0480 H 113 GLU419113 1.0000 + 1776 CG 45.1350 -0.4040 34.1930 C.3 113 GLU419113 1.0000 + 1777 HG1 45.7260 -0.8954 34.9659 H 113 GLU419113 1.0000 + 1778 HG2 44.8674 0.5765 34.5868 H 113 GLU419113 1.0000 + 1779 CD 46.0750 -0.1560 33.0270 C.2 113 GLU419113 1.0000 + 1780 OE1 45.7020 0.6110 32.0940 O.co2 113 GLU419113 1.0000 + 1781 OE2 47.1890 -0.7250 33.0300 O.co2 113 GLU419113 1.0000 + 1782 N 41.7790 1.4730 34.3830 N.am 114 GLY420114 1.0000 + 1783 HN 42.0706 1.4880 35.3708 H 114 GLY420114 1.0000 + 1784 CA 41.2170 2.6810 33.8420 C.3 114 GLY420114 1.0000 + 1785 HA1 41.7021 2.8772 32.8858 H 114 GLY420114 1.0000 + 1786 HA2 41.4098 3.4867 34.5504 H 114 GLY420114 1.0000 + 1787 C 39.7270 2.6600 33.5880 C.2 114 GLY420114 1.0000 + 1788 O 39.2230 3.4740 32.8070 O.2 114 GLY420114 1.0000 + 1789 N 38.9680 1.7550 34.2060 N.am 115 MET421115 1.0000 + 1790 HN 39.3737 1.1450 34.9300 H 115 MET421115 1.0000 + 1791 CA 37.5610 1.6350 33.8500 C.3 115 MET421115 1.0000 + 1792 HA 37.3538 2.0146 32.8495 H 115 MET421115 1.0000 + 1793 C 36.6550 2.4080 34.8030 C.2 115 MET421115 1.0000 + 1794 O 35.6620 2.9750 34.3500 O.2 115 MET421115 1.0000 + 1795 CB 37.0940 0.1720 33.8030 C.3 115 MET421115 1.0000 + 1796 HB1 37.1461 -0.3076 34.7805 H 115 MET421115 1.0000 + 1797 HB2 37.6993 -0.4310 33.1262 H 115 MET421115 1.0000 + 1798 CG 35.6450 0.0440 33.3280 C.3 115 MET421115 1.0000 + 1799 HG1 35.3370 0.8425 32.6530 H 115 MET421115 1.0000 + 1800 HG2 34.9184 0.0609 34.1404 H 115 MET421115 1.0000 + 1801 SD 35.3160 -1.4810 32.4340 S.3 115 MET421115 1.0000 + 1802 CE 34.3710 -2.4150 33.6350 C.3 115 MET421115 1.0000 + 1803 HE1 34.1007 -3.3827 33.2124 H 115 MET421115 1.0000 + 1804 HE2 34.9710 -2.5658 34.5324 H 115 MET421115 1.0000 + 1805 HE3 33.4653 -1.8657 33.8922 H 115 MET421115 1.0000 + 1806 N 36.9960 2.4360 36.0810 N.am 116 VAL422116 1.0000 + 1807 HN 37.8380 1.9188 36.3717 H 116 VAL422116 1.0000 + 1808 CA 36.2440 3.1600 37.1020 C.3 116 VAL422116 1.0000 + 1809 HA 35.2442 2.7486 37.2404 H 116 VAL422116 1.0000 + 1810 C 36.0710 4.6330 36.7460 C.2 116 VAL422116 1.0000 + 1811 O 35.1460 5.3090 37.1990 O.2 116 VAL422116 1.0000 + 1812 CB 36.9210 3.0410 38.4830 C.3 116 VAL422116 1.0000 + 1813 HB 37.3398 2.0447 38.6247 H 116 VAL422116 1.0000 + 1814 CG1 38.0500 4.0520 38.6210 C.3 116 VAL422116 1.0000 + 1815 HG11 38.5124 3.9493 39.6027 H 116 VAL422116 1.0000 + 1816 HG12 38.7966 3.8715 37.8476 H 116 VAL422116 1.0000 + 1817 HG13 37.6508 5.0604 38.5117 H 116 VAL422116 1.0000 + 1818 CG2 35.9060 3.2230 39.5980 C.3 116 VAL422116 1.0000 + 1819 HG21 36.4056 3.1351 40.5628 H 116 VAL422116 1.0000 + 1820 HG22 35.4474 4.2084 39.5153 H 116 VAL422116 1.0000 + 1821 HG23 35.1354 2.4563 39.5173 H 116 VAL422116 1.0000 + 1822 N 36.9670 5.1610 35.9240 N.am 117 GLU423117 1.0000 + 1823 HN 37.7660 4.5885 35.6161 H 117 GLU423117 1.0000 + 1824 CA 36.8480 6.5320 35.4460 C.3 117 GLU423117 1.0000 + 1825 HA 36.7089 7.2367 36.2659 H 117 GLU423117 1.0000 + 1826 C 35.6640 6.7030 34.5070 C.2 117 GLU423117 1.0000 + 1827 O 34.9570 7.7090 34.5760 O.2 117 GLU423117 1.0000 + 1828 CB 38.1870 6.9130 34.7890 C.3 117 GLU423117 1.0000 + 1829 HB1 38.1252 7.9438 34.4402 H 117 GLU423117 1.0000 + 1830 HB2 38.3686 6.2420 33.9494 H 117 GLU423117 1.0000 + 1831 CG 39.3010 6.7730 35.8270 C.3 117 GLU423117 1.0000 + 1832 HG1 39.4111 5.7601 36.2144 H 117 GLU423117 1.0000 + 1833 HG2 39.1576 7.3992 36.7075 H 117 GLU423117 1.0000 + 1834 CD 40.6680 7.1430 35.3000 C.2 117 GLU423117 1.0000 + 1835 OE1 40.7480 7.9750 34.3690 O.co2 117 GLU423117 1.0000 + 1836 OE2 41.6520 6.5880 35.8380 O.co2 117 GLU423117 1.0000 + 1837 N 35.4460 5.7210 33.6380 N.am 118 ILE424118 1.0000 + 1838 HN 36.1321 4.9547 33.5839 H 118 ILE424118 1.0000 + 1839 CA 34.2880 5.6740 32.7600 C.3 118 ILE424118 1.0000 + 1840 HA 34.1680 6.6168 32.2263 H 118 ILE424118 1.0000 + 1841 C 33.0120 5.4150 33.5580 C.2 118 ILE424118 1.0000 + 1842 O 31.9840 6.0640 33.3670 O.2 118 ILE424118 1.0000 + 1843 CB 34.4360 4.5790 31.6860 C.3 118 ILE424118 1.0000 + 1844 HB 34.3147 3.5973 32.1439 H 118 ILE424118 1.0000 + 1845 CG1 35.8240 4.4730 31.0620 C.3 118 ILE424118 1.0000 + 1846 HG11 35.9369 3.4663 30.6596 H 118 ILE424118 1.0000 + 1847 HG12 36.5602 4.6641 31.8427 H 118 ILE424118 1.0000 + 1848 CG2 33.3760 4.7670 30.6150 C.3 118 ILE424118 1.0000 + 1849 HG21 33.4832 3.9912 29.8569 H 118 ILE424118 1.0000 + 1850 HG22 32.3863 4.6987 31.0666 H 118 ILE424118 1.0000 + 1851 HG23 33.4966 5.7462 30.1516 H 118 ILE424118 1.0000 + 1852 CD1 36.1030 5.4380 29.9380 C.3 118 ILE424118 1.0000 + 1853 HD11 37.1149 5.2796 29.5652 H 118 ILE424118 1.0000 + 1854 HD12 35.3891 5.2729 29.1311 H 118 ILE424118 1.0000 + 1855 HD13 36.0070 6.4603 30.3038 H 118 ILE424118 1.0000 + 1856 N 33.0790 4.4560 34.4770 N.am 119 PHE425119 1.0000 + 1857 HN 33.9524 3.9175 34.5662 H 119 PHE425119 1.0000 + 1858 CA 31.9670 4.1360 35.3630 C.3 119 PHE425119 1.0000 + 1859 HA 31.1501 3.6919 34.7942 H 119 PHE425119 1.0000 + 1860 C 31.4580 5.4050 36.0480 C.2 119 PHE425119 1.0000 + 1861 O 30.2640 5.7020 36.0640 O.2 119 PHE425119 1.0000 + 1862 CB 32.3810 3.1440 36.4480 C.3 119 PHE425119 1.0000 + 1863 HB1 31.8185 3.3920 37.3481 H 119 PHE425119 1.0000 + 1864 HB2 33.4536 3.2598 36.6034 H 119 PHE425119 1.0000 + 1865 CG 32.1440 1.6710 36.1890 C.ar 119 PHE425119 1.0000 + 1866 CD1 31.7120 0.8340 37.2050 C.ar 119 PHE425119 1.0000 + 1867 HD1 31.5425 1.2425 38.2013 H 119 PHE425119 1.0000 + 1868 CD2 32.3560 1.1150 34.9380 C.ar 119 PHE425119 1.0000 + 1869 HD2 32.6990 1.7530 34.1235 H 119 PHE425119 1.0000 + 1870 CE1 31.4930 -0.5090 36.9750 C.ar 119 PHE425119 1.0000 + 1871 HE1 31.1401 -1.1460 37.7860 H 119 PHE425119 1.0000 + 1872 CE2 32.1430 -0.2290 34.6980 C.ar 119 PHE425119 1.0000 + 1873 HE2 32.3095 -0.6404 33.7025 H 119 PHE425119 1.0000 + 1874 CZ 31.7170 -1.0510 35.7280 C.ar 119 PHE425119 1.0000 + 1875 HZ 31.5605 -2.1156 35.5541 H 119 PHE425119 1.0000 + 1876 N 32.4210 6.1190 36.6160 N.am 120 ASP426120 1.0000 + 1877 HN 33.3982 5.8134 36.5040 H 120 ASP426120 1.0000 + 1878 CA 32.1440 7.3240 37.3950 C.3 120 ASP426120 1.0000 + 1879 HA 31.5218 7.0964 38.2606 H 120 ASP426120 1.0000 + 1880 C 31.4110 8.3650 36.5530 C.2 120 ASP426120 1.0000 + 1881 O 30.4800 9.0200 37.0200 O.2 120 ASP426120 1.0000 + 1882 CB 33.4430 7.8730 37.9860 C.3 120 ASP426120 1.0000 + 1883 HB1 33.3501 8.9066 38.3193 H 120 ASP426120 1.0000 + 1884 HB2 34.2683 7.8592 37.2741 H 120 ASP426120 1.0000 + 1885 CG 33.9180 7.0830 39.1950 C.2 120 ASP426120 1.0000 + 1886 OD1 33.1080 6.3670 39.8130 O.co2 120 ASP426120 1.0000 + 1887 OD2 35.1140 7.1650 39.5540 O.co2 120 ASP426120 1.0000 + 1888 N 31.7830 8.5250 35.2940 N.am 121 MET427121 1.0000 + 1889 HN 32.6034 8.0105 34.9431 H 121 MET427121 1.0000 + 1890 CA 31.0600 9.4120 34.3910 C.3 121 MET427121 1.0000 + 1891 HA 30.9602 10.3850 34.8720 H 121 MET427121 1.0000 + 1892 C 29.6620 8.9250 34.0320 C.2 121 MET427121 1.0000 + 1893 O 28.7030 9.7030 34.0770 O.2 121 MET427121 1.0000 + 1894 CB 31.9040 9.5720 33.1210 C.3 121 MET427121 1.0000 + 1895 HB1 31.3202 10.0067 32.3097 H 121 MET427121 1.0000 + 1896 HB2 32.2844 8.6110 32.7746 H 121 MET427121 1.0000 + 1897 CG 33.1040 10.4820 33.3640 C.3 121 MET427121 1.0000 + 1898 HG1 33.7322 10.0355 34.1348 H 121 MET427121 1.0000 + 1899 HG2 32.7438 11.4574 33.6910 H 121 MET427121 1.0000 + 1900 SD 34.0300 10.6450 31.8240 S.3 121 MET427121 1.0000 + 1901 CE 34.4190 8.9240 31.5390 C.3 121 MET427121 1.0000 + 1902 HE1 34.9960 8.8289 30.6192 H 121 MET427121 1.0000 + 1903 HE2 35.0032 8.5397 32.3751 H 121 MET427121 1.0000 + 1904 HE3 33.4954 8.3523 31.4486 H 121 MET427121 1.0000 + 1905 N 29.5380 7.6490 33.6790 N.am 122 LEU428122 1.0000 + 1906 HN 30.3883 7.0779 33.5712 H 122 LEU428122 1.0000 + 1907 CA 28.2380 7.0300 33.4390 C.3 122 LEU428122 1.0000 + 1908 HA 27.7253 7.4817 32.5898 H 122 LEU428122 1.0000 + 1909 C 27.3150 7.1680 34.6430 C.2 122 LEU428122 1.0000 + 1910 O 26.1790 7.6530 34.5620 O.2 122 LEU428122 1.0000 + 1911 CB 28.4520 5.5530 33.0610 C.3 122 LEU428122 1.0000 + 1912 HB1 27.4743 5.0729 33.0205 H 122 LEU428122 1.0000 + 1913 HB2 29.0791 5.0987 33.8281 H 122 LEU428122 1.0000 + 1914 CG 29.1330 5.2980 31.7160 C.3 122 LEU428122 1.0000 + 1915 HG 30.0061 5.9326 31.5644 H 122 LEU428122 1.0000 + 1916 CD1 29.6160 3.8670 31.5730 C.3 122 LEU428122 1.0000 + 1917 HD11 30.0918 3.7390 30.6007 H 122 LEU428122 1.0000 + 1918 HD12 30.3357 3.6454 32.3611 H 122 LEU428122 1.0000 + 1919 HD13 28.7681 3.1869 31.6543 H 122 LEU428122 1.0000 + 1920 CD2 28.1750 5.6370 30.5700 C.3 122 LEU428122 1.0000 + 1921 HD21 28.6690 5.4522 29.6161 H 122 LEU428122 1.0000 + 1922 HD22 27.2841 5.0134 30.6440 H 122 LEU428122 1.0000 + 1923 HD23 27.8893 6.6870 30.6332 H 122 LEU428122 1.0000 + 1924 N 27.7560 6.7590 35.8270 N.am 123 LEU429123 1.0000 + 1925 HN 28.6875 6.3255 35.8993 H 123 LEU429123 1.0000 + 1926 CA 26.9380 6.9150 37.0310 C.3 123 LEU429123 1.0000 + 1927 HA 25.9993 6.3628 36.9867 H 123 LEU429123 1.0000 + 1928 C 26.5480 8.3580 37.3070 C.2 123 LEU429123 1.0000 + 1929 O 25.4670 8.7020 37.7870 O.2 123 LEU429123 1.0000 + 1930 CB 27.6910 6.3520 38.2430 C.3 123 LEU429123 1.0000 + 1931 HB1 27.1075 6.6031 39.1287 H 123 LEU429123 1.0000 + 1932 HB2 28.6727 6.8254 38.2596 H 123 LEU429123 1.0000 + 1933 CG 27.9470 4.8510 38.3200 C.3 123 LEU429123 1.0000 + 1934 HG 28.1191 4.4472 37.3223 H 123 LEU429123 1.0000 + 1935 CD1 29.1740 4.5700 39.1810 C.3 123 LEU429123 1.0000 + 1936 HD11 29.3467 3.4948 39.2285 H 123 LEU429123 1.0000 + 1937 HD12 30.0449 5.0584 38.7438 H 123 LEU429123 1.0000 + 1938 HD13 29.0087 4.9557 40.1870 H 123 LEU429123 1.0000 + 1939 CD2 26.7470 4.1030 38.8860 C.3 123 LEU429123 1.0000 + 1940 HD21 26.9684 3.0364 38.9250 H 123 LEU429123 1.0000 + 1941 HD22 26.5330 4.4661 39.8912 H 123 LEU429123 1.0000 + 1942 HD23 25.8796 4.2704 38.2474 H 123 LEU429123 1.0000 + 1943 N 27.4250 9.3240 37.0200 N.am 124 ALA430124 1.0000 + 1944 HN 28.3545 9.1109 36.6307 H 124 ALA430124 1.0000 + 1945 CA 27.0020 10.6980 37.2850 C.3 124 ALA430124 1.0000 + 1946 HA 26.5703 10.7707 38.2832 H 124 ALA430124 1.0000 + 1947 C 25.9560 11.1300 36.2630 C.2 124 ALA430124 1.0000 + 1948 O 25.0500 11.9030 36.5640 O.2 124 ALA430124 1.0000 + 1949 CB 28.2010 11.6340 37.2820 C.3 124 ALA430124 1.0000 + 1950 HB1 27.8679 12.6526 37.4809 H 124 ALA430124 1.0000 + 1951 HB2 28.9055 11.3253 38.0544 H 124 ALA430124 1.0000 + 1952 HB3 28.6900 11.5957 36.3086 H 124 ALA430124 1.0000 + 1953 N 26.0600 10.6330 35.0290 N.am 125 THR431125 1.0000 + 1954 HN 26.8519 10.0243 34.7773 H 125 THR431125 1.0000 + 1955 CA 25.0360 10.9630 34.0380 C.3 125 THR431125 1.0000 + 1956 HA 24.9570 12.0413 33.8998 H 125 THR431125 1.0000 + 1957 C 23.6710 10.4480 34.4690 C.2 125 THR431125 1.0000 + 1958 O 22.6510 11.1100 34.3530 O.2 125 THR431125 1.0000 + 1959 CB 25.3910 10.3470 32.6740 C.3 125 THR431125 1.0000 + 1960 HB 25.2882 9.2621 32.6958 H 125 THR431125 1.0000 + 1961 OG1 26.7280 10.7340 32.3340 O.3 125 THR431125 1.0000 + 1962 HG1 27.3111 10.7385 33.1831 H 125 THR431125 1.0000 + 1963 CG2 24.4820 10.8780 31.5840 C.3 125 THR431125 1.0000 + 1964 HG21 24.7550 10.4261 30.6304 H 125 THR431125 1.0000 + 1965 HG22 23.4472 10.6298 31.8202 H 125 THR431125 1.0000 + 1966 HG23 24.5890 11.9606 31.5163 H 125 THR431125 1.0000 + 1967 N 23.6860 9.2130 34.9630 N.am 126 SER432126 1.0000 + 1968 HN 24.5831 8.7100 35.0191 H 126 SER432126 1.0000 + 1969 CA 22.4840 8.5530 35.4240 C.3 126 SER432126 1.0000 + 1970 HA 21.7594 8.4246 34.6199 H 126 SER432126 1.0000 + 1971 C 21.7880 9.3490 36.5340 C.2 126 SER432126 1.0000 + 1972 O 20.5640 9.4470 36.5590 O.2 126 SER432126 1.0000 + 1973 CB 22.8220 7.1570 35.9570 C.3 126 SER432126 1.0000 + 1974 HB1 23.1745 7.2398 36.9851 H 126 SER432126 1.0000 + 1975 HB2 23.6011 6.7138 35.3368 H 126 SER432126 1.0000 + 1976 OG 21.6560 6.3430 35.9150 O.3 126 SER432126 1.0000 + 1977 HG 20.8187 6.9425 35.8958 H 126 SER432126 1.0000 + 1978 N 22.6260 9.8610 37.4140 N.am 127 SER433127 1.0000 + 1979 HN 23.6253 9.6383 37.3016 H 127 SER433127 1.0000 + 1980 CA 22.2520 10.7160 38.5320 C.3 127 SER433127 1.0000 + 1981 HA 21.5866 10.1774 39.2067 H 127 SER433127 1.0000 + 1982 C 21.5350 11.9620 38.0190 C.2 127 SER433127 1.0000 + 1983 O 20.4690 12.3560 38.4940 O.2 127 SER433127 1.0000 + 1984 CB 23.5070 11.0570 39.3390 C.3 127 SER433127 1.0000 + 1985 HB1 24.0922 11.8699 38.9091 H 127 SER433127 1.0000 + 1986 HB2 24.2027 10.2232 39.4331 H 127 SER433127 1.0000 + 1987 OG 23.2310 11.4610 40.6670 O.3 127 SER433127 1.0000 + 1988 HG 23.4411 12.4639 40.7720 H 127 SER433127 1.0000 + 1989 N 22.1060 12.6050 37.0030 N.am 128 ARG434128 1.0000 + 1990 HN 22.9995 12.2541 36.6295 H 128 ARG434128 1.0000 + 1991 CA 21.5050 13.7930 36.4010 C.3 128 ARG434128 1.0000 + 1992 HA 21.3673 14.5980 37.1228 H 128 ARG434128 1.0000 + 1993 C 20.1340 13.5080 35.8050 C.2 128 ARG434128 1.0000 + 1994 O 19.1650 14.2480 36.0040 O.2 128 ARG434128 1.0000 + 1995 CB 22.4730 14.3310 35.3470 C.3 128 ARG434128 1.0000 + 1996 HB1 22.7038 13.5231 34.6526 H 128 ARG434128 1.0000 + 1997 HB2 23.3750 14.6718 35.8553 H 128 ARG434128 1.0000 + 1998 CG 21.9410 15.4920 34.5350 C.3 128 ARG434128 1.0000 + 1999 HG1 20.8951 15.3432 34.2667 H 128 ARG434128 1.0000 + 2000 HG2 22.5018 15.6194 33.6091 H 128 ARG434128 1.0000 + 2001 CD 22.0330 16.7970 35.3080 C.3 128 ARG434128 1.0000 + 2002 HD1 23.0749 17.0139 35.5437 H 128 ARG434128 1.0000 + 2003 HD2 21.4659 16.7176 36.2354 H 128 ARG434128 1.0000 + 2004 NE 21.4850 17.8910 34.5020 N.pl3 128 ARG434128 1.0000 + 2005 HE 21.7985 17.9687 33.5239 H 128 ARG434128 1.0000 + 2006 CZ 20.6140 18.7880 34.9430 C.cat 128 ARG434128 1.0000 + 2007 NH1 20.1830 18.7260 36.2000 N.pl3 128 ARG434128 1.0000 + 2008 HH11 19.5063 19.4206 36.5472 H 128 ARG434128 1.0000 + 2009 HH12 20.5259 17.9833 36.8259 H 128 ARG434128 1.0000 + 2010 NH2 20.1740 19.7470 34.1370 N.pl3 128 ARG434128 1.0000 + 2011 HH21 19.4973 20.4415 34.4844 H 128 ARG434128 1.0000 + 2012 HH22 20.5094 19.7965 33.1644 H 128 ARG434128 1.0000 + 2013 N 20.0210 12.4190 35.0480 N.am 129 PHE435129 1.0000 + 2014 HN 20.8557 11.8416 34.8724 H 129 PHE435129 1.0000 + 2015 CA 18.7410 12.0200 34.4580 C.3 129 PHE435129 1.0000 + 2016 HA 18.3642 12.7845 33.7785 H 129 PHE435129 1.0000 + 2017 C 17.6830 11.7950 35.5340 C.2 129 PHE435129 1.0000 + 2018 O 16.5140 12.1790 35.4510 O.2 129 PHE435129 1.0000 + 2019 CB 18.9370 10.7590 33.6160 C.3 129 PHE435129 1.0000 + 2020 HB1 17.9679 10.2693 33.5197 H 129 PHE435129 1.0000 + 2021 HB2 19.6502 10.1194 34.1359 H 129 PHE435129 1.0000 + 2022 CG 19.4690 10.9620 32.2130 C.ar 129 PHE435129 1.0000 + 2023 CD1 19.8730 9.8800 31.4460 C.ar 129 PHE435129 1.0000 + 2024 HD1 19.8038 8.8776 31.8685 H 129 PHE435129 1.0000 + 2025 CD2 19.5650 12.2240 31.6500 C.ar 129 PHE435129 1.0000 + 2026 HD2 19.2545 13.0957 32.2260 H 129 PHE435129 1.0000 + 2027 CE1 20.3620 10.0340 30.1590 C.ar 129 PHE435129 1.0000 + 2028 HE1 20.6707 9.1634 29.5803 H 129 PHE435129 1.0000 + 2029 CE2 20.0500 12.3910 30.3660 C.ar 129 PHE435129 1.0000 + 2030 HE2 20.1140 13.3925 29.9405 H 129 PHE435129 1.0000 + 2031 CZ 20.4550 11.3020 29.6150 C.ar 129 PHE435129 1.0000 + 2032 HZ 20.8430 11.4418 28.6060 H 129 PHE435129 1.0000 + 2033 N 18.1000 11.1390 36.6140 N.am 130 ARG436130 1.0000 + 2034 HN 19.0766 10.8153 36.6632 H 130 ARG436130 1.0000 + 2035 CA 17.2000 10.8700 37.7290 C.3 130 ARG436130 1.0000 + 2036 HA 16.3825 10.2276 37.4018 H 130 ARG436130 1.0000 + 2037 C 16.6200 12.1780 38.2590 C.2 130 ARG436130 1.0000 + 2038 O 15.4100 12.3780 38.3030 O.2 130 ARG436130 1.0000 + 2039 CB 17.9760 10.1410 38.8200 C.3 130 ARG436130 1.0000 + 2040 HB1 18.4767 10.8907 39.4327 H 130 ARG436130 1.0000 + 2041 HB2 18.6998 9.4858 38.3353 H 130 ARG436130 1.0000 + 2042 CG 17.1520 9.2790 39.7560 C.3 130 ARG436130 1.0000 + 2043 HG1 16.6418 8.4953 39.1960 H 130 ARG436130 1.0000 + 2044 HG2 16.4048 9.8856 40.2676 H 130 ARG436130 1.0000 + 2045 CD 18.0490 8.6280 40.7990 C.3 130 ARG436130 1.0000 + 2046 HD1 17.5005 7.9234 41.4241 H 130 ARG436130 1.0000 + 2047 HD2 18.4960 9.3641 41.4672 H 130 ARG436130 1.0000 + 2048 NE 19.1480 7.8870 40.1860 N.pl3 130 ARG436130 1.0000 + 2049 HE 18.9282 7.3060 39.3644 H 130 ARG436130 1.0000 + 2050 CZ 20.4050 7.9030 40.6030 C.cat 130 ARG436130 1.0000 + 2051 NH1 20.7430 8.6380 41.6550 N.pl3 130 ARG436130 1.0000 + 2052 HH11 21.7199 8.6519 41.9810 H 130 ARG436130 1.0000 + 2053 HH12 20.0284 9.1946 42.1454 H 130 ARG436130 1.0000 + 2054 NH2 21.3230 7.1850 39.9680 N.pl3 130 ARG436130 1.0000 + 2055 HH21 22.3007 7.1969 40.2917 H 130 ARG436130 1.0000 + 2056 HH22 21.0576 6.6158 39.1516 H 130 ARG436130 1.0000 + 2057 N 17.5450 13.0440 38.6370 N.am 131 MET437131 1.0000 + 2058 HN 18.5277 12.7520 38.5373 H 131 MET437131 1.0000 + 2059 CA 17.3030 14.3670 39.1790 C.3 131 MET437131 1.0000 + 2060 HA 16.7712 14.3388 40.1300 H 131 MET437131 1.0000 + 2061 C 16.4640 15.2370 38.2480 C.2 131 MET437131 1.0000 + 2062 O 15.7530 16.1340 38.7090 O.2 131 MET437131 1.0000 + 2063 CB 18.6540 15.0380 39.4600 C.3 131 MET437131 1.0000 + 2064 HB1 19.3799 14.6590 38.7406 H 131 MET437131 1.0000 + 2065 HB2 18.9546 14.7880 40.4774 H 131 MET437131 1.0000 + 2066 CG 18.6390 16.5510 39.3440 C.3 131 MET437131 1.0000 + 2067 HG1 17.8036 17.0083 39.8741 H 131 MET437131 1.0000 + 2068 HG2 18.5624 16.8962 38.3129 H 131 MET437131 1.0000 + 2069 SD 20.1270 17.3200 40.0120 S.3 131 MET437131 1.0000 + 2070 CE 19.4000 18.4250 41.2220 C.3 131 MET437131 1.0000 + 2071 HE1 20.1896 18.9798 41.7288 H 131 MET437131 1.0000 + 2072 HE2 18.7301 19.1235 40.7206 H 131 MET437131 1.0000 + 2073 HE3 18.8377 17.8445 41.9534 H 131 MET437131 1.0000 + 2074 N 16.5410 14.9880 36.9450 N.am 132 MET438132 1.0000 + 2075 HN 17.1567 14.2339 36.6087 H 132 MET438132 1.0000 + 2076 CA 15.7680 15.7650 35.9840 C.3 132 MET438132 1.0000 + 2077 HA 15.6083 16.7723 36.3685 H 132 MET438132 1.0000 + 2078 C 14.4180 15.0980 35.7500 C.2 132 MET438132 1.0000 + 2079 O 13.5860 15.6800 35.0620 O.2 132 MET438132 1.0000 + 2080 CB 16.4320 15.8590 34.6200 C.3 132 MET438132 1.0000 + 2081 HB1 15.6635 16.1111 33.8893 H 132 MET438132 1.0000 + 2082 HB2 16.8794 14.8904 34.3971 H 132 MET438132 1.0000 + 2083 CG 17.5310 16.9000 34.4910 C.3 132 MET438132 1.0000 + 2084 HG1 18.3668 16.6188 35.1317 H 132 MET438132 1.0000 + 2085 HG2 17.1415 17.8709 34.7973 H 132 MET438132 1.0000 + 2086 SD 18.0770 16.9750 32.7710 S.3 132 MET438132 1.0000 + 2087 CE 16.5510 17.5080 31.9810 C.3 132 MET438132 1.0000 + 2088 HE1 16.7119 17.6053 30.9073 H 132 MET438132 1.0000 + 2089 HE2 15.7692 16.7712 32.1654 H 132 MET438132 1.0000 + 2090 HE3 16.2461 18.4709 32.3909 H 132 MET438132 1.0000 + 2091 N 14.3090 13.8980 36.3100 N.am 133 ASN439133 1.0000 + 2092 HN 15.0619 13.5344 36.9115 H 133 ASN439133 1.0000 + 2093 CA 13.1100 13.0990 36.0640 C.3 133 ASN439133 1.0000 + 2094 HA 13.2173 12.1152 36.5209 H 133 ASN439133 1.0000 + 2095 C 12.8960 12.9270 34.5620 C.2 133 ASN439133 1.0000 + 2096 O 11.7930 13.1140 34.0430 O.2 133 ASN439133 1.0000 + 2097 CB 11.9020 13.7440 36.7410 C.3 133 ASN439133 1.0000 + 2098 HB1 11.5015 14.5068 36.0733 H 133 ASN439133 1.0000 + 2099 HB2 12.2325 14.1907 37.6787 H 133 ASN439133 1.0000 + 2100 CG 10.7810 12.7770 37.0610 C.2 133 ASN439133 1.0000 + 2101 OD1 11.0090 11.6010 37.3340 O.2 133 ASN439133 1.0000 + 2102 ND2 9.5470 13.2640 37.0360 N.am 133 ASN439133 1.0000 + 2103 HD21 9.3890 14.2549 36.8033 H 133 ASN439133 1.0000 + 2104 HD22 8.7471 12.6511 37.2491 H 133 ASN439133 1.0000 + 2105 N 13.9580 12.5540 33.8500 N.am 134 LEU440134 1.0000 + 2106 HN 14.8728 12.4527 34.3123 H 134 LEU440134 1.0000 + 2107 CA 13.8360 12.2870 32.4170 C.3 134 LEU440134 1.0000 + 2108 HA 13.6093 13.2027 31.8709 H 134 LEU440134 1.0000 + 2109 C 12.7210 11.2860 32.1470 C.2 134 LEU440134 1.0000 + 2110 O 12.5990 10.2810 32.8480 O.2 134 LEU440134 1.0000 + 2111 CB 15.1700 11.7820 31.8570 C.3 134 LEU440134 1.0000 + 2112 HB1 15.4650 10.9060 32.4346 H 134 LEU440134 1.0000 + 2113 HB2 15.9013 12.5836 31.9611 H 134 LEU440134 1.0000 + 2114 CG 15.1660 11.3670 30.3830 C.3 134 LEU440134 1.0000 + 2115 HG 14.3300 10.7018 30.1668 H 134 LEU440134 1.0000 + 2116 CD1 15.0440 12.5830 29.4740 C.3 134 LEU440134 1.0000 + 2117 HD11 15.0436 12.2604 28.4328 H 134 LEU440134 1.0000 + 2118 HD12 14.1139 13.1080 29.6915 H 134 LEU440134 1.0000 + 2119 HD13 15.8871 13.2520 29.6462 H 134 LEU440134 1.0000 + 2120 CD2 16.4060 10.5660 30.0290 C.3 134 LEU440134 1.0000 + 2121 HD21 16.3709 10.2876 28.9757 H 134 LEU440134 1.0000 + 2122 HD22 17.2944 11.1694 30.2154 H 134 LEU440134 1.0000 + 2123 HD23 16.4442 9.6650 30.6413 H 134 LEU440134 1.0000 + 2124 N 11.8830 11.5470 31.1470 N.am 135 GLN441135 1.0000 + 2125 HN 12.0138 12.3986 30.5826 H 135 GLN441135 1.0000 + 2126 CA 10.7830 10.6430 30.8410 C.3 135 GLN441135 1.0000 + 2127 HA 10.5759 10.0247 31.7145 H 135 GLN441135 1.0000 + 2128 C 11.1780 9.7560 29.6590 C.2 135 GLN441135 1.0000 + 2129 O 12.1010 10.1280 28.9280 O.2 135 GLN441135 1.0000 + 2130 CB 9.5100 11.4160 30.5290 C.3 135 GLN441135 1.0000 + 2131 HB1 8.7821 10.7194 30.1131 H 135 GLN441135 1.0000 + 2132 HB2 9.7535 12.1958 29.8074 H 135 GLN441135 1.0000 + 2133 CG 8.8630 12.0910 31.7330 C.3 135 GLN441135 1.0000 + 2134 HG1 7.8259 12.3766 31.5570 H 135 GLN441135 1.0000 + 2135 HG2 9.3721 13.0063 32.0349 H 135 GLN441135 1.0000 + 2136 CD 8.8400 11.2110 32.9670 C.2 135 GLN441135 1.0000 + 2137 OE1 8.3170 10.0970 32.9420 O.2 135 GLN441135 1.0000 + 2138 NE2 9.3970 11.6730 34.0770 N.am 135 GLN441135 1.0000 + 2139 HE21 9.8314 12.6069 34.0850 H 135 GLN441135 1.0000 + 2140 HE22 9.3954 11.0983 34.9318 H 135 GLN441135 1.0000 + 2141 N 10.5020 8.6270 29.4990 N.am 136 GLY442136 1.0000 + 2142 HN 9.7159 8.4507 30.1407 H 136 GLY442136 1.0000 + 2143 CA 10.7800 7.6210 28.4940 C.3 136 GLY442136 1.0000 + 2144 HA1 10.1596 6.7312 28.6006 H 136 GLY442136 1.0000 + 2145 HA2 11.8111 7.2685 28.5196 H 136 GLY442136 1.0000 + 2146 C 10.5490 8.1180 27.0810 C.2 136 GLY442136 1.0000 + 2147 O 11.1500 7.6300 26.1230 O.2 136 GLY442136 1.0000 + 2148 N 9.6550 9.0920 26.9700 N.am 137 GLU443137 1.0000 + 2149 HN 9.2032 9.4474 27.8247 H 137 GLU443137 1.0000 + 2150 CA 9.2870 9.6780 25.6920 C.3 137 GLU443137 1.0000 + 2151 HA 9.1525 8.8931 24.9477 H 137 GLU443137 1.0000 + 2152 C 10.3890 10.6320 25.2170 C.2 137 GLU443137 1.0000 + 2153 O 10.6270 10.6890 24.0130 O.2 137 GLU443137 1.0000 + 2154 CB 7.9580 10.4290 25.7720 C.3 137 GLU443137 1.0000 + 2155 HB1 7.8141 10.9640 24.8333 H 137 GLU443137 1.0000 + 2156 HB2 8.0117 11.1245 26.6095 H 137 GLU443137 1.0000 + 2157 CG 6.7370 9.5530 25.9870 C.3 137 GLU443137 1.0000 + 2158 HG1 6.7248 8.7059 25.3011 H 137 GLU443137 1.0000 + 2159 HG2 5.8120 10.1083 25.8313 H 137 GLU443137 1.0000 + 2160 CD 6.6930 8.9920 27.3950 C.2 137 GLU443137 1.0000 + 2161 OE1 7.1770 9.6840 28.3150 O.co2 137 GLU443137 1.0000 + 2162 OE2 6.1990 7.8650 27.5780 O.co2 137 GLU443137 1.0000 + 2163 N 10.9920 11.3300 26.1640 N.am 138 GLU444138 1.0000 + 2164 HN 10.6404 11.1965 27.1229 H 138 GLU444138 1.0000 + 2165 CA 12.0940 12.2640 26.0070 C.3 138 GLU444138 1.0000 + 2166 HA 11.8861 12.9674 25.2008 H 138 GLU444138 1.0000 + 2167 C 13.3870 11.5160 25.6750 C.2 138 GLU444138 1.0000 + 2168 O 14.0980 11.8860 24.7420 O.2 138 GLU444138 1.0000 + 2169 CB 12.2940 13.1140 27.2660 C.3 138 GLU444138 1.0000 + 2170 HB1 13.1604 13.7564 27.1084 H 138 GLU444138 1.0000 + 2171 HB2 12.4602 12.4414 28.1075 H 138 GLU444138 1.0000 + 2172 CG 11.1230 14.0080 27.6220 C.3 138 GLU444138 1.0000 + 2173 HG1 10.2341 13.3851 27.7219 H 138 GLU444138 1.0000 + 2174 HG2 10.9924 14.7367 26.8220 H 138 GLU444138 1.0000 + 2175 CD 11.2980 14.7720 28.9170 C.2 138 GLU444138 1.0000 + 2176 OE1 11.7490 14.1850 29.9190 O.co2 138 GLU444138 1.0000 + 2177 OE2 10.9840 15.9830 28.9440 O.co2 138 GLU444138 1.0000 + 2178 N 13.6680 10.4570 26.4240 N.am 139 PHE445139 1.0000 + 2179 HN 13.0540 10.2365 27.2211 H 139 PHE445139 1.0000 + 2180 CA 14.8120 9.5950 26.1610 C.3 139 PHE445139 1.0000 + 2181 HA 15.7621 10.1133 26.2909 H 139 PHE445139 1.0000 + 2182 C 14.8130 9.0510 24.7480 C.2 139 PHE445139 1.0000 + 2183 O 15.8180 8.9010 24.0580 O.2 139 PHE445139 1.0000 + 2184 CB 14.7960 8.4230 27.1550 C.3 139 PHE445139 1.0000 + 2185 HB1 13.7702 8.0668 27.2500 H 139 PHE445139 1.0000 + 2186 HB2 15.1667 8.7816 28.1153 H 139 PHE445139 1.0000 + 2187 CG 15.6560 7.2500 26.7360 C.ar 139 PHE445139 1.0000 + 2188 CD1 17.0290 7.3070 26.9120 C.ar 139 PHE445139 1.0000 + 2189 HD1 17.4777 8.1965 27.3543 H 139 PHE445139 1.0000 + 2190 CD2 15.1140 6.1030 26.1810 C.ar 139 PHE445139 1.0000 + 2191 HD2 14.0342 6.0286 26.0518 H 139 PHE445139 1.0000 + 2192 CE1 17.8390 6.2500 26.5340 C.ar 139 PHE445139 1.0000 + 2193 HE1 18.9158 6.3093 26.6925 H 139 PHE445139 1.0000 + 2194 CE2 15.9180 5.0530 25.7890 C.ar 139 PHE445139 1.0000 + 2195 HE2 15.4720 4.1636 25.3438 H 139 PHE445139 1.0000 + 2196 CZ 17.2940 5.1260 25.9600 C.ar 139 PHE445139 1.0000 + 2197 HZ 17.9340 4.3025 25.6431 H 139 PHE445139 1.0000 + 2198 N 13.6350 8.6760 24.2320 N.am 140 VAL446140 1.0000 + 2199 HN 12.7450 8.7843 24.7390 H 140 VAL446140 1.0000 + 2200 CA 13.7160 8.0990 22.8870 C.3 140 VAL446140 1.0000 + 2201 HA 14.4948 7.3364 22.8866 H 140 VAL446140 1.0000 + 2202 C 14.0570 9.2090 21.9100 C.2 140 VAL446140 1.0000 + 2203 O 14.7300 8.9730 20.9050 O.2 140 VAL446140 1.0000 + 2204 CB 12.4210 7.3760 22.5010 C.3 140 VAL446140 1.0000 + 2205 HB 12.4338 7.1183 21.4420 H 140 VAL446140 1.0000 + 2206 CG1 12.2690 6.0920 23.3150 C.3 140 VAL446140 1.0000 + 2207 HG11 11.3451 5.5883 23.0309 H 140 VAL446140 1.0000 + 2208 HG12 13.1159 5.4344 23.1188 H 140 VAL446140 1.0000 + 2209 HG13 12.2375 6.3360 24.3769 H 140 VAL446140 1.0000 + 2210 CG2 11.2230 8.2870 22.7080 C.3 140 VAL446140 1.0000 + 2211 HG21 10.3114 7.7584 22.4293 H 140 VAL446140 1.0000 + 2212 HG22 11.1660 8.5807 23.7561 H 140 VAL446140 1.0000 + 2213 HG23 11.3308 9.1765 22.0873 H 140 VAL446140 1.0000 + 2214 N 13.6040 10.4320 22.2160 N.am 141 CYS447141 1.0000 + 2215 HN 13.0474 10.5990 23.0664 H 141 CYS447141 1.0000 + 2216 CA 13.9310 11.5230 21.2940 C.3 141 CYS447141 1.0000 + 2217 HA 13.6274 11.2524 20.2827 H 141 CYS447141 1.0000 + 2218 C 15.4340 11.7810 21.3160 C.2 141 CYS447141 1.0000 + 2219 O 16.1190 11.9450 20.3080 O.2 141 CYS447141 1.0000 + 2220 CB 13.1570 12.7860 21.6420 C.3 141 CYS447141 1.0000 + 2221 HB1 13.6177 13.6174 21.1085 H 141 CYS447141 1.0000 + 2222 HB2 13.2202 12.9296 22.7207 H 141 CYS447141 1.0000 + 2223 SG 11.4020 12.7900 21.2110 S.3 141 CYS447141 1.0000 + 2224 HG 10.9704 14.0541 21.1047 H 141 CYS447141 1.0000 + 2225 N 15.9690 11.8230 22.5420 N.am 142 LEU448142 1.0000 + 2226 HN 15.3719 11.7024 23.3725 H 142 LEU448142 1.0000 + 2227 CA 17.3990 12.0400 22.6940 C.3 142 LEU448142 1.0000 + 2228 HA 17.6920 13.0219 22.3224 H 142 LEU448142 1.0000 + 2229 C 18.2000 11.0000 21.9260 C.2 142 LEU448142 1.0000 + 2230 O 19.0960 11.3680 21.1590 O.2 142 LEU448142 1.0000 + 2231 CB 17.7870 12.0110 24.1680 C.3 142 LEU448142 1.0000 + 2232 HB1 18.8699 11.9035 24.2298 H 142 LEU448142 1.0000 + 2233 HB2 17.2853 11.1620 24.6324 H 142 LEU448142 1.0000 + 2234 CG 17.4070 13.2590 24.9710 C.3 142 LEU448142 1.0000 + 2235 HG 16.3399 13.2378 25.1924 H 142 LEU448142 1.0000 + 2236 CD1 18.1940 13.2840 26.2720 C.3 142 LEU448142 1.0000 + 2237 HD11 17.9239 14.1719 26.8436 H 142 LEU448142 1.0000 + 2238 HD12 17.9618 12.3927 26.8549 H 142 LEU448142 1.0000 + 2239 HD13 19.2612 13.3054 26.0513 H 142 LEU448142 1.0000 + 2240 CD2 17.6360 14.5170 24.1510 C.3 142 LEU448142 1.0000 + 2241 HD21 17.3596 15.3910 24.7407 H 142 LEU448142 1.0000 + 2242 HD22 18.6880 14.5842 23.8739 H 142 LEU448142 1.0000 + 2243 HD23 17.0249 14.4797 23.2492 H 142 LEU448142 1.0000 + 2244 N 17.8740 9.7220 22.1440 N.am 143 LYS449143 1.0000 + 2245 HN 17.0837 9.4797 22.7585 H 143 LYS449143 1.0000 + 2246 CA 18.6650 8.6680 21.4900 C.3 143 LYS449143 1.0000 + 2247 HA 19.7010 8.6813 21.8287 H 143 LYS449143 1.0000 + 2248 C 18.6750 8.8400 19.9800 C.2 143 LYS449143 1.0000 + 2249 O 19.6850 8.6390 19.2920 O.2 143 LYS449143 1.0000 + 2250 CB 18.1430 7.2930 21.9010 C.3 143 LYS449143 1.0000 + 2251 HB1 17.1296 7.1845 21.5146 H 143 LYS449143 1.0000 + 2252 HB2 18.1488 7.2385 22.9896 H 143 LYS449143 1.0000 + 2253 CG 18.9560 6.1240 21.3820 C.3 143 LYS449143 1.0000 + 2254 HG1 20.0236 6.3400 21.4239 H 143 LYS449143 1.0000 + 2255 HG2 18.7014 5.8988 20.3464 H 143 LYS449143 1.0000 + 2256 CD 18.7020 4.8750 22.2050 C.3 143 LYS449143 1.0000 + 2257 HD1 18.8577 5.0374 23.2715 H 143 LYS449143 1.0000 + 2258 HD2 19.3557 4.0489 21.9251 H 143 LYS449143 1.0000 + 2259 CE 17.2850 4.3600 22.0590 C.3 143 LYS449143 1.0000 + 2260 HE1 16.9076 4.4872 21.0444 H 143 LYS449143 1.0000 + 2261 HE2 16.5924 4.8790 22.7215 H 143 LYS449143 1.0000 + 2262 NZ 17.1840 2.9090 22.3790 N.4 143 LYS449143 1.0000 + 2263 HZ1 16.2079 2.5995 22.2679 H 143 LYS449143 1.0000 + 2264 HZ2 17.7884 2.3731 21.7400 H 143 LYS449143 1.0000 + 2265 HZ3 17.4857 2.7494 23.3508 H 143 LYS449143 1.0000 + 2266 N 17.5380 9.2470 19.4220 N.am 144 SER450144 1.0000 + 2267 HN 16.7095 9.4169 20.0099 H 144 SER450144 1.0000 + 2268 CA 17.4610 9.4540 17.9760 C.3 144 SER450144 1.0000 + 2269 HA 17.8696 8.6229 17.4012 H 144 SER450144 1.0000 + 2270 C 18.2200 10.6860 17.5060 C.2 144 SER450144 1.0000 + 2271 O 18.7480 10.7080 16.3940 O.2 144 SER450144 1.0000 + 2272 CB 15.9870 9.5510 17.5670 C.3 144 SER450144 1.0000 + 2273 HB1 15.9202 9.7156 16.4916 H 144 SER450144 1.0000 + 2274 HB2 15.5197 10.3833 18.0934 H 144 SER450144 1.0000 + 2275 OG 15.3260 8.3460 17.9040 O.3 144 SER450144 1.0000 + 2276 HG 14.3386 8.5443 18.1201 H 144 SER450144 1.0000 + 2277 N 18.3020 11.7290 18.3320 N.am 145 ILE451145 1.0000 + 2278 HN 17.8145 11.7156 19.2392 H 145 ILE451145 1.0000 + 2279 CA 19.0920 12.8910 17.9340 C.3 145 ILE451145 1.0000 + 2280 HA 18.7703 13.2555 16.9584 H 145 ILE451145 1.0000 + 2281 C 20.5710 12.5280 17.8490 C.2 145 ILE451145 1.0000 + 2282 O 21.2550 12.9320 16.9130 O.2 145 ILE451145 1.0000 + 2283 CB 18.8910 14.0700 18.9060 C.3 145 ILE451145 1.0000 + 2284 HB 18.8828 13.7050 19.9331 H 145 ILE451145 1.0000 + 2285 CG1 17.5300 14.7540 18.7930 C.3 145 ILE451145 1.0000 + 2286 HG11 16.7230 14.0730 18.5224 H 145 ILE451145 1.0000 + 2287 HG12 17.5018 15.5432 18.0417 H 145 ILE451145 1.0000 + 2288 CG2 20.0200 15.0690 18.7430 C.3 145 ILE451145 1.0000 + 2289 HG21 19.8727 15.9002 19.4325 H 145 ILE451145 1.0000 + 2290 HG22 20.9708 14.5820 18.9596 H 145 ILE451145 1.0000 + 2291 HG23 20.0292 15.4439 17.7195 H 145 ILE451145 1.0000 + 2292 CD1 17.0780 15.4140 20.0790 C.3 145 ILE451145 1.0000 + 2293 HD11 16.1044 15.8798 19.9263 H 145 ILE451145 1.0000 + 2294 HD12 17.0017 14.6636 20.8658 H 145 ILE451145 1.0000 + 2295 HD13 17.8020 16.1744 20.3718 H 145 ILE451145 1.0000 + 2296 N 21.0790 11.7590 18.8040 N.am 146 ILE452146 1.0000 + 2297 HN 20.4785 11.4921 19.5971 H 146 ILE452146 1.0000 + 2298 CA 22.4540 11.2780 18.7730 C.3 146 ILE452146 1.0000 + 2299 HA 23.1769 12.0921 18.8258 H 146 ILE452146 1.0000 + 2300 C 22.7650 10.5020 17.4980 C.2 146 ILE452146 1.0000 + 2301 O 23.7780 10.7840 16.8660 O.2 146 ILE452146 1.0000 + 2302 CB 22.7550 10.3510 19.9630 C.3 146 ILE452146 1.0000 + 2303 HB 21.9569 9.6170 20.0743 H 146 ILE452146 1.0000 + 2304 CG1 22.7540 11.0440 21.3300 C.3 146 ILE452146 1.0000 + 2305 HG11 21.8625 11.6533 21.4786 H 146 ILE452146 1.0000 + 2306 HG12 23.6118 11.7051 21.4537 H 146 ILE452146 1.0000 + 2307 CG2 24.0660 9.6230 19.7340 C.3 146 ILE452146 1.0000 + 2308 HG21 24.2717 8.9687 20.5812 H 146 ILE452146 1.0000 + 2309 HG22 23.9972 9.0272 18.8238 H 146 ILE452146 1.0000 + 2310 HG23 24.8725 10.3492 19.6322 H 146 ILE452146 1.0000 + 2311 CD1 22.8000 10.0430 22.4780 C.3 146 ILE452146 1.0000 + 2312 HD11 22.7977 10.5781 23.4276 H 146 ILE452146 1.0000 + 2313 HD12 21.9283 9.3906 22.4271 H 146 ILE452146 1.0000 + 2314 HD13 23.7070 9.4433 22.4017 H 146 ILE452146 1.0000 + 2315 N 21.9210 9.5350 17.1250 N.am 147 LEU453147 1.0000 + 2316 HN 21.1312 9.2887 17.7386 H 147 LEU453147 1.0000 + 2317 CA 22.0980 8.8230 15.8660 C.3 147 LEU453147 1.0000 + 2318 HA 22.9947 8.2035 15.8844 H 147 LEU453147 1.0000 + 2319 C 22.2310 9.7920 14.6960 C.2 147 LEU453147 1.0000 + 2320 O 23.1150 9.6840 13.8480 O.2 147 LEU453147 1.0000 + 2321 CB 20.9290 7.8610 15.6150 C.3 147 LEU453147 1.0000 + 2322 HB1 20.0097 8.4205 15.7877 H 147 LEU453147 1.0000 + 2323 HB2 21.0361 7.0349 16.3180 H 147 LEU453147 1.0000 + 2324 CG 20.7810 7.2240 14.2370 C.3 147 LEU453147 1.0000 + 2325 HG 20.9054 7.9713 13.4533 H 147 LEU453147 1.0000 + 2326 CD1 21.8280 6.1390 14.0330 C.3 147 LEU453147 1.0000 + 2327 HD11 21.7058 5.6968 13.0443 H 147 LEU453147 1.0000 + 2328 HD12 22.8239 6.5743 14.1152 H 147 LEU453147 1.0000 + 2329 HD13 21.7054 5.3675 14.7932 H 147 LEU453147 1.0000 + 2330 CD2 19.3950 6.6200 14.0390 C.3 147 LEU453147 1.0000 + 2331 HD21 19.3300 6.1764 13.0455 H 147 LEU453147 1.0000 + 2332 HD22 19.2224 5.8508 14.7918 H 147 LEU453147 1.0000 + 2333 HD23 18.6405 7.4004 14.1380 H 147 LEU453147 1.0000 + 2334 N 21.3360 10.7670 14.6240 N.am 148 LEU454148 1.0000 + 2335 HN 20.6646 10.8851 15.3961 H 148 LEU454148 1.0000 + 2336 CA 21.2710 11.6780 13.4870 C.3 148 LEU454148 1.0000 + 2337 HA 21.4327 11.1881 12.5268 H 148 LEU454148 1.0000 + 2338 C 22.3020 12.7910 13.5420 C.2 148 LEU454148 1.0000 + 2339 O 22.8780 13.1430 12.5060 O.2 148 LEU454148 1.0000 + 2340 CB 19.8370 12.2300 13.4170 C.3 148 LEU454148 1.0000 + 2341 HB1 19.7716 13.0636 12.7177 H 148 LEU454148 1.0000 + 2342 HB2 19.5061 12.5862 14.3926 H 148 LEU454148 1.0000 + 2343 CG 18.8480 11.1450 12.9510 C.3 148 LEU454148 1.0000 + 2344 HG 18.9215 10.2505 13.5696 H 148 LEU454148 1.0000 + 2345 CD1 17.4190 11.6360 13.0250 C.3 148 LEU454148 1.0000 + 2346 HD11 16.7455 10.8474 12.6896 H 148 LEU454148 1.0000 + 2347 HD12 17.1794 11.9045 14.0539 H 148 LEU454148 1.0000 + 2348 HD13 17.3011 12.5104 12.3849 H 148 LEU454148 1.0000 + 2349 CD2 19.2030 10.7000 11.5430 C.3 148 LEU454148 1.0000 + 2350 HD21 18.5015 9.9324 11.2163 H 148 LEU454148 1.0000 + 2351 HD22 19.1479 11.5533 10.8670 H 148 LEU454148 1.0000 + 2352 HD23 20.2147 10.2945 11.5338 H 148 LEU454148 1.0000 + 2353 N 22.5680 13.3270 14.7230 N.am 149 ASN455149 1.0000 + 2354 HN 22.0690 12.9671 15.5490 H 149 ASN455149 1.0000 + 2355 CA 23.5290 14.3970 14.9080 C.3 149 ASN455149 1.0000 + 2356 HA 23.4048 15.1025 14.0865 H 149 ASN455149 1.0000 + 2357 C 24.9910 13.9900 14.9250 C.2 149 ASN455149 1.0000 + 2358 O 25.8240 14.7430 14.4110 O.2 149 ASN455149 1.0000 + 2359 CB 23.2810 15.1210 16.2560 C.3 149 ASN455149 1.0000 + 2360 HB1 23.4352 14.4391 17.0923 H 149 ASN455149 1.0000 + 2361 HB2 22.2599 15.4990 16.3068 H 149 ASN455149 1.0000 + 2362 CG 24.2310 16.2930 16.4160 C.2 149 ASN455149 1.0000 + 2363 OD1 24.2840 17.1780 15.5650 O.2 149 ASN455149 1.0000 + 2364 ND2 25.0030 16.3440 17.4950 N.am 149 ASN455149 1.0000 + 2365 HD21 24.9502 15.5966 18.2018 H 149 ASN455149 1.0000 + 2366 HD22 25.6548 17.1309 17.6252 H 149 ASN455149 1.0000 + 2367 N 25.3620 12.8640 15.5290 N.am 150 SER456150 1.0000 + 2368 HN 24.6706 12.1426 15.7791 H 150 SER456150 1.0000 + 2369 CA 26.7890 12.6820 15.8280 C.3 150 SER456150 1.0000 + 2370 HA 27.1070 13.4988 16.4759 H 150 SER456150 1.0000 + 2371 C 27.7020 12.6820 14.6130 C.2 150 SER456150 1.0000 + 2372 O 28.8050 13.2490 14.7070 O.2 150 SER456150 1.0000 + 2373 CB 26.9340 11.4130 16.6840 C.3 150 SER456150 1.0000 + 2374 HB1 27.9918 11.2340 16.8766 H 150 SER456150 1.0000 + 2375 HB2 26.5066 10.5691 16.1424 H 150 SER456150 1.0000 + 2376 OG 26.2380 11.6030 17.9200 O.3 150 SER456150 1.0000 + 2377 HG 26.1997 12.6081 18.1420 H 150 SER456150 1.0000 + 2378 N 27.3580 12.1290 13.4560 N.am 151 GLY457151 1.0000 + 2379 HN 26.4481 11.6530 13.3766 H 151 GLY457151 1.0000 + 2380 CA 28.2360 12.1800 12.2990 C.3 151 GLY457151 1.0000 + 2381 HA1 28.2589 11.1806 11.8645 H 151 GLY457151 1.0000 + 2382 HA2 29.2210 12.4853 12.6522 H 151 GLY457151 1.0000 + 2383 C 27.8790 13.1230 11.1730 C.2 151 GLY457151 1.0000 + 2384 O 28.5320 13.0820 10.1180 O.2 151 GLY457151 1.0000 + 2385 N 26.8850 13.9890 11.3050 N.am 152 VAL458152 1.0000 + 2386 HN 26.3705 14.0084 12.1971 H 152 VAL458152 1.0000 + 2387 CA 26.4810 14.9150 10.2560 C.3 152 VAL458152 1.0000 + 2388 HA 26.1784 14.4011 9.3436 H 152 VAL458152 1.0000 + 2389 C 27.6030 15.8700 9.8620 C.2 152 VAL458152 1.0000 + 2390 O 27.6560 16.3280 8.7210 O.2 152 VAL458152 1.0000 + 2391 CB 25.2920 15.8130 10.6700 C.3 152 VAL458152 1.0000 + 2392 HB 25.6218 16.8083 10.9678 H 152 VAL458152 1.0000 + 2393 CG1 24.2990 15.9930 9.5330 C.3 152 VAL458152 1.0000 + 2394 HG11 23.4786 16.6299 9.8638 H 152 VAL458152 1.0000 + 2395 HG12 24.7992 16.4576 8.6832 H 152 VAL458152 1.0000 + 2396 HG13 23.9062 15.0207 9.2356 H 152 VAL458152 1.0000 + 2397 CG2 24.6010 15.2550 11.8990 C.3 152 VAL458152 1.0000 + 2398 HG21 23.7677 15.9019 12.1731 H 152 VAL458152 1.0000 + 2399 HG22 24.2275 14.2539 11.6834 H 152 VAL458152 1.0000 + 2400 HG23 25.3104 15.2075 12.7252 H 152 VAL458152 1.0000 + 2401 N 28.5080 16.2150 10.7750 N.am 153 TYR459153 1.0000 + 2402 HN 28.4970 15.7743 11.7059 H 153 TYR459153 1.0000 + 2403 CA 29.5170 17.2210 10.4520 C.3 153 TYR459153 1.0000 + 2404 HA 29.1605 17.9588 9.7332 H 153 TYR459153 1.0000 + 2405 C 30.7780 16.6160 9.8450 C.2 153 TYR459153 1.0000 + 2406 O 31.6350 17.3600 9.3620 O.2 153 TYR459153 1.0000 + 2407 CB 29.9030 18.0280 11.6860 C.3 153 TYR459153 1.0000 + 2408 HB1 30.8044 18.5928 11.4481 H 153 TYR459153 1.0000 + 2409 HB2 30.0845 17.3272 12.5009 H 153 TYR459153 1.0000 + 2410 CG 28.8760 19.0190 12.1750 C.ar 153 TYR459153 1.0000 + 2411 CD1 27.5320 18.9350 11.8490 C.ar 153 TYR459153 1.0000 + 2412 HD1 27.1875 18.1209 11.2113 H 153 TYR459153 1.0000 + 2413 CD2 29.2740 20.0730 12.9950 C.ar 153 TYR459153 1.0000 + 2414 HD2 30.3247 20.1668 13.2695 H 153 TYR459153 1.0000 + 2415 CE1 26.6180 19.8630 12.3160 C.ar 153 TYR459153 1.0000 + 2416 HE1 25.5663 19.7776 12.0427 H 153 TYR459153 1.0000 + 2417 CE2 28.3690 21.0000 13.4670 C.ar 153 TYR459153 1.0000 + 2418 HE2 28.7051 21.8148 14.1083 H 153 TYR459153 1.0000 + 2419 CZ 27.0370 20.8930 13.1250 C.ar 153 TYR459153 1.0000 + 2420 OH 26.1460 21.8290 13.6020 O.3 153 TYR459153 1.0000 + 2421 HH 26.5833 22.7613 13.5823 H 153 TYR459153 1.0000 + 2422 N 30.8960 15.2980 9.8620 N.am 154 THR460154 1.0000 + 2423 HN 30.1263 14.7414 10.2602 H 154 THR460154 1.0000 + 2424 CA 32.0610 14.5990 9.3450 C.3 154 THR460154 1.0000 + 2425 HA 32.8950 15.2668 9.1290 H 154 THR460154 1.0000 + 2426 C 31.7790 13.8580 8.0530 C.2 154 THR460154 1.0000 + 2427 O 32.5470 12.9850 7.6360 O.2 154 THR460154 1.0000 + 2428 CB 32.6000 13.5510 10.3450 C.3 154 THR460154 1.0000 + 2429 HB 33.0142 12.6956 9.8113 H 154 THR460154 1.0000 + 2430 OG1 31.5220 13.1550 11.1950 O.3 154 THR460154 1.0000 + 2431 HG1 30.9935 13.9881 11.4908 H 154 THR460154 1.0000 + 2432 CG2 33.6930 14.1580 11.2090 C.3 154 THR460154 1.0000 + 2433 HG21 34.0627 13.4080 11.9082 H 154 THR460154 1.0000 + 2434 HG22 34.5118 14.4975 10.5747 H 154 THR460154 1.0000 + 2435 HG23 33.2895 15.0045 11.7647 H 154 THR460154 1.0000 + 2436 N 30.6770 14.1810 7.3740 N.am 155 PHE461155 1.0000 + 2437 HN 29.9353 14.7841 7.7574 H 155 PHE461155 1.0000 + 2438 CA 30.6210 13.5950 6.0270 C.3 155 PHE461155 1.0000 + 2439 HA 30.7320 12.5188 6.1596 H 155 PHE461155 1.0000 + 2440 C 31.7850 14.2150 5.2430 C.2 155 PHE461155 1.0000 + 2441 O 31.9110 15.4450 5.2590 O.2 155 PHE461155 1.0000 + 2442 CB 29.2660 13.8320 5.3920 C.3 155 PHE461155 1.0000 + 2443 HB1 29.3229 13.5194 4.3493 H 155 PHE461155 1.0000 + 2444 HB2 29.0398 14.8956 5.4669 H 155 PHE461155 1.0000 + 2445 CG 28.1070 13.0780 6.0270 C.ar 155 PHE461155 1.0000 + 2446 CD1 27.1030 13.7570 6.6920 C.ar 155 PHE461155 1.0000 + 2447 HD1 27.1428 14.8444 6.7561 H 155 PHE461155 1.0000 + 2448 CD2 28.0180 11.6980 5.9720 C.ar 155 PHE461155 1.0000 + 2449 HD2 28.8003 11.1337 5.4643 H 155 PHE461155 1.0000 + 2450 CE1 26.0530 13.0820 7.2750 C.ar 155 PHE461155 1.0000 + 2451 HE1 25.2760 13.6441 7.7931 H 155 PHE461155 1.0000 + 2452 CE2 26.9600 11.0190 6.5460 C.ar 155 PHE461155 1.0000 + 2453 HE2 26.9080 9.9328 6.4707 H 155 PHE461155 1.0000 + 2454 CZ 25.9690 11.7090 7.2140 C.ar 155 PHE461155 1.0000 + 2455 HZ 25.1393 11.1795 7.6823 H 155 PHE461155 1.0000 + 2456 N 32.6010 13.3930 4.6190 N.am 156 LEU462156 1.0000 + 2457 HN 32.3577 12.3935 4.6718 H 156 LEU462156 1.0000 + 2458 CA 33.8010 13.7130 3.8650 C.3 156 LEU462156 1.0000 + 2459 HA 34.6510 13.6894 4.5469 H 156 LEU462156 1.0000 + 2460 C 33.7740 15.0890 3.2030 C.2 156 LEU462156 1.0000 + 2461 O 33.9990 16.1180 3.8430 O.2 156 LEU462156 1.0000 + 2462 CB 34.0270 12.6540 2.7770 C.3 156 LEU462156 1.0000 + 2463 HB1 34.3561 13.1739 1.8773 H 156 LEU462156 1.0000 + 2464 HB2 33.0781 12.1425 2.6158 H 156 LEU462156 1.0000 + 2465 CG 35.0630 11.5680 3.0530 C.3 156 LEU462156 1.0000 + 2466 HG 35.9948 11.9935 3.4254 H 156 LEU462156 1.0000 + 2467 CD1 34.5610 10.5720 4.1000 C.3 156 LEU462156 1.0000 + 2468 HD11 35.3225 9.8117 4.2734 H 156 LEU462156 1.0000 + 2469 HD12 34.3540 11.0975 5.0323 H 156 LEU462156 1.0000 + 2470 HD13 33.6483 10.0962 3.7414 H 156 LEU462156 1.0000 + 2471 CD2 35.4360 10.8490 1.7610 C.3 156 LEU462156 1.0000 + 2472 HD21 36.1757 10.0774 1.9745 H 156 LEU462156 1.0000 + 2473 HD22 34.5463 10.3894 1.3305 H 156 LEU462156 1.0000 + 2474 HD23 35.8529 11.5655 1.0532 H 156 LEU462156 1.0000 + 2475 N 33.5040 15.0850 1.8970 N.am 157 SER463157 1.0000 + 2476 HN 33.3959 14.1817 1.4140 H 157 SER463157 1.0000 + 2477 CA 33.3560 16.3220 1.1260 C.3 157 SER463157 1.0000 + 2478 HA 33.9385 17.1085 1.6058 H 157 SER463157 1.0000 + 2479 C 31.8830 16.7090 1.0930 C.2 157 SER463157 1.0000 + 2480 O 31.1830 16.6430 2.1090 O.2 157 SER463157 1.0000 + 2481 CB 33.9520 16.1960 -0.2680 C.3 157 SER463157 1.0000 + 2482 HB1 34.7498 15.4549 -0.2197 H 157 SER463157 1.0000 + 2483 HB2 34.3384 17.1751 -0.5511 H 157 SER463157 1.0000 + 2484 OG 33.0840 15.7890 -1.3030 O.3 157 SER463157 1.0000 + 2485 HG 32.5924 16.6107 -1.6825 H 157 SER463157 1.0000 + 2486 N 31.3790 17.1210 -0.0690 N.am 158 SER464158 1.0000 + 2487 HN 31.9694 17.1937 -0.9099 H 158 SER464158 1.0000 + 2488 CA 29.9570 17.4670 -0.1100 C.3 158 SER464158 1.0000 + 2489 HA 29.3661 16.6944 0.3819 H 158 SER464158 1.0000 + 2490 C 29.4890 17.5950 -1.5460 C.2 158 SER464158 1.0000 + 2491 O 29.4620 18.6320 -2.2030 O.2 158 SER464158 1.0000 + 2492 CB 29.7330 18.7300 0.7180 C.3 158 SER464158 1.0000 + 2493 HB1 28.7874 19.1915 0.4336 H 158 SER464158 1.0000 + 2494 HB2 30.5457 19.4340 0.5394 H 158 SER464158 1.0000 + 2495 OG 29.6960 18.3950 2.1010 O.3 158 SER464158 1.0000 + 2496 HG 29.4586 19.2326 2.6514 H 158 SER464158 1.0000 + 2497 N 29.1010 16.4310 -2.0760 N.am 159 THR465159 1.0000 + 2498 HN 29.1949 15.5548 -1.5427 H 159 THR465159 1.0000 + 2499 CA 28.5410 16.4240 -3.4260 C.3 159 THR465159 1.0000 + 2500 HA 29.1387 17.0902 -4.0480 H 159 THR465159 1.0000 + 2501 C 27.1050 16.9100 -3.3490 C.2 159 THR465159 1.0000 + 2502 O 26.6170 17.1390 -2.2360 O.2 159 THR465159 1.0000 + 2503 CB 28.6270 15.0190 -4.0340 C.3 159 THR465159 1.0000 + 2504 HB 28.2875 15.0571 -5.0691 H 159 THR465159 1.0000 + 2505 OG1 27.8590 14.1030 -3.2470 O.3 159 THR465159 1.0000 + 2506 HG1 27.0531 14.5950 -2.8355 H 159 THR465159 1.0000 + 2507 CG2 30.0720 14.5410 -3.9810 C.3 159 THR465159 1.0000 + 2508 HG21 30.1409 13.5421 -4.4118 H 159 THR465159 1.0000 + 2509 HG22 30.7026 15.2252 -4.5487 H 159 THR465159 1.0000 + 2510 HG23 30.4082 14.5130 -2.9445 H 159 THR465159 1.0000 + 2511 N 26.4260 17.0690 -4.4780 N.am 160 LEU466160 1.0000 + 2512 HN 26.8726 16.9199 -5.3941 H 160 LEU466160 1.0000 + 2513 CA 25.0190 17.4640 -4.3760 C.3 160 LEU466160 1.0000 + 2514 HA 24.9302 18.4426 -3.9042 H 160 LEU466160 1.0000 + 2515 C 24.2410 16.4560 -3.5420 C.2 160 LEU466160 1.0000 + 2516 O 23.4720 16.8330 -2.6530 O.2 160 LEU466160 1.0000 + 2517 CB 24.4040 17.6270 -5.7650 C.3 160 LEU466160 1.0000 + 2518 HB1 24.5416 16.6859 -6.2975 H 160 LEU466160 1.0000 + 2519 HB2 24.9271 18.4441 -6.2619 H 160 LEU466160 1.0000 + 2520 CG 22.9150 17.9550 -5.8390 C.3 160 LEU466160 1.0000 + 2521 HG 22.3609 17.3866 -5.0920 H 160 LEU466160 1.0000 + 2522 CD1 22.6820 19.4370 -5.5850 C.3 160 LEU466160 1.0000 + 2523 HD11 21.6150 19.6525 -5.6417 H 160 LEU466160 1.0000 + 2524 HD12 23.0530 19.6991 -4.5941 H 160 LEU466160 1.0000 + 2525 HD13 23.2109 20.0226 -6.3370 H 160 LEU466160 1.0000 + 2526 CD2 22.3390 17.5660 -7.1920 C.3 160 LEU466160 1.0000 + 2527 HD21 21.2770 17.8100 -7.2191 H 160 LEU466160 1.0000 + 2528 HD22 22.8573 18.1137 -7.9791 H 160 LEU466160 1.0000 + 2529 HD23 22.4694 16.4952 -7.3487 H 160 LEU466160 1.0000 + 2530 N 24.4100 15.1570 -3.7680 N.am 161 LYS467161 1.0000 + 2531 HN 25.0580 14.8337 -4.5004 H 161 LYS467161 1.0000 + 2532 CA 23.6610 14.1930 -2.9600 C.3 161 LYS467161 1.0000 + 2533 HA 22.5863 14.3484 -3.0548 H 161 LYS467161 1.0000 + 2534 C 24.0180 14.3160 -1.4770 C.2 161 LYS467161 1.0000 + 2535 O 23.1500 14.1250 -0.6240 O.2 161 LYS467161 1.0000 + 2536 CB 23.9060 12.7620 -3.4320 C.3 161 LYS467161 1.0000 + 2537 HB1 24.9096 12.4662 -3.1264 H 161 LYS467161 1.0000 + 2538 HB2 23.8143 12.7376 -4.5179 H 161 LYS467161 1.0000 + 2539 CG 22.9280 11.7480 -2.8600 C.3 161 LYS467161 1.0000 + 2540 HG1 21.9219 11.9333 -3.2362 H 161 LYS467161 1.0000 + 2541 HG2 22.9055 11.8105 -1.7720 H 161 LYS467161 1.0000 + 2542 CD 23.3350 10.3340 -3.2520 C.3 161 LYS467161 1.0000 + 2543 HD1 22.9662 10.0887 -4.2479 H 161 LYS467161 1.0000 + 2544 HD2 22.9278 9.6068 -2.5495 H 161 LYS467161 1.0000 + 2545 CE 24.8510 10.1920 -3.2580 C.3 161 LYS467161 1.0000 + 2546 HE1 25.3020 10.6332 -2.3692 H 161 LYS467161 1.0000 + 2547 HE2 25.2998 10.6827 -4.1217 H 161 LYS467161 1.0000 + 2548 NZ 25.2730 8.7610 -3.2990 N.4 161 LYS467161 1.0000 + 2549 HZ1 26.3015 8.7058 -3.3019 H 161 LYS467161 1.0000 + 2550 HZ2 24.9057 8.2704 -2.4712 H 161 LYS467161 1.0000 + 2551 HZ3 24.9035 8.3179 -4.1522 H 161 LYS467161 1.0000 + 2552 N 25.2690 14.6290 -1.1840 N.am 162 SER468162 1.0000 + 2553 HN 25.9436 14.7274 -1.9561 H 162 SER468162 1.0000 + 2554 CA 25.7380 14.8410 0.1770 C.3 162 SER468162 1.0000 + 2555 HA 25.5396 13.9510 0.7742 H 162 SER468162 1.0000 + 2556 C 25.0110 16.0310 0.7870 C.2 162 SER468162 1.0000 + 2557 O 24.6320 16.0090 1.9570 O.2 162 SER468162 1.0000 + 2558 CB 27.2500 15.0710 0.2370 C.3 162 SER468162 1.0000 + 2559 HB1 27.5800 15.7789 -0.5233 H 162 SER468162 1.0000 + 2560 HB2 27.8046 14.1462 0.0781 H 162 SER468162 1.0000 + 2561 OG 27.6520 15.5900 1.4960 O.3 162 SER468162 1.0000 + 2562 HG 28.1042 16.5056 1.3619 H 162 SER468162 1.0000 + 2563 N 24.8120 17.0750 -0.0080 N.am 163 LEU469163 1.0000 + 2564 HN 25.1370 17.0624 -0.9853 H 163 LEU469163 1.0000 + 2565 CA 24.1200 18.2450 0.5360 C.3 163 LEU469163 1.0000 + 2566 HA 24.5700 18.5968 1.4643 H 163 LEU469163 1.0000 + 2567 C 22.6600 17.9590 0.8450 C.2 163 LEU469163 1.0000 + 2568 O 22.0690 18.4580 1.8080 O.2 163 LEU469163 1.0000 + 2569 CB 24.2340 19.4080 -0.4530 C.3 163 LEU469163 1.0000 + 2570 HB1 23.7577 20.2784 -0.0017 H 163 LEU469163 1.0000 + 2571 HB2 23.7256 19.1163 -1.3720 H 163 LEU469163 1.0000 + 2572 CG 25.6520 19.8240 -0.8390 C.3 163 LEU469163 1.0000 + 2573 HG 26.2642 18.9474 -1.0509 H 163 LEU469163 1.0000 + 2574 CD1 25.6320 20.7070 -2.0820 C.3 163 LEU469163 1.0000 + 2575 HD11 26.6513 20.9932 -2.3414 H 163 LEU469163 1.0000 + 2576 HD12 25.1871 20.1575 -2.9116 H 163 LEU469163 1.0000 + 2577 HD13 25.0433 21.6024 -1.8828 H 163 LEU469163 1.0000 + 2578 CD2 26.3370 20.5370 0.3150 C.3 163 LEU469163 1.0000 + 2579 HD21 27.3456 20.8243 0.0179 H 163 LEU469163 1.0000 + 2580 HD22 25.7691 21.4287 0.5803 H 163 LEU469163 1.0000 + 2581 HD23 26.3884 19.8701 1.1757 H 163 LEU469163 1.0000 + 2582 N 22.0120 17.1390 0.0190 N.am 164 GLU470164 1.0000 + 2583 HN 22.4910 16.7145 -0.7880 H 164 GLU470164 1.0000 + 2584 CA 20.6100 16.8590 0.2870 C.3 164 GLU470164 1.0000 + 2585 HA 20.0647 17.7860 0.4641 H 164 GLU470164 1.0000 + 2586 C 20.4710 15.9690 1.5240 C.2 164 GLU470164 1.0000 + 2587 O 19.4740 16.0900 2.2310 O.2 164 GLU470164 1.0000 + 2588 CB 19.9350 16.1790 -0.8970 C.3 164 GLU470164 1.0000 + 2589 HB1 18.8971 16.5109 -0.9219 H 164 GLU470164 1.0000 + 2590 HB2 20.0008 15.1021 -0.7420 H 164 GLU470164 1.0000 + 2591 CG 20.5190 16.4610 -2.2720 C.3 164 GLU470164 1.0000 + 2592 HG1 21.3934 15.8393 -2.4645 H 164 GLU470164 1.0000 + 2593 HG2 20.8271 17.5025 -2.3639 H 164 GLU470164 1.0000 + 2594 CD 19.5050 16.1820 -3.3680 C.2 164 GLU470164 1.0000 + 2595 OE1 18.3880 15.7410 -3.0260 O.co2 164 GLU470164 1.0000 + 2596 OE2 19.8100 16.4020 -4.5550 O.co2 164 GLU470164 1.0000 + 2597 N 21.4540 15.0950 1.7230 N.am 165 GLU471165 1.0000 + 2598 HN 22.2233 15.0457 1.0399 H 165 GLU471165 1.0000 + 2599 CA 21.4770 14.2050 2.8770 C.3 165 GLU471165 1.0000 + 2600 HA 20.6062 13.5494 2.8732 H 165 GLU471165 1.0000 + 2601 C 21.4670 15.0130 4.1830 C.2 165 GLU471165 1.0000 + 2602 O 20.6120 14.7740 5.0300 O.2 165 GLU471165 1.0000 + 2603 CB 22.7070 13.3070 2.9130 C.3 165 GLU471165 1.0000 + 2604 HB1 22.6925 12.7512 3.8505 H 165 GLU471165 1.0000 + 2605 HB2 23.5910 13.9418 2.8523 H 165 GLU471165 1.0000 + 2606 CG 22.8000 12.2970 1.7920 C.3 165 GLU471165 1.0000 + 2607 HG1 23.8068 11.8883 1.7055 H 165 GLU471165 1.0000 + 2608 HG2 22.5458 12.7433 0.8306 H 165 GLU471165 1.0000 + 2609 CD 21.8540 11.1300 2.0150 C.2 165 GLU471165 1.0000 + 2610 OE1 22.3430 10.0620 2.4430 O.co2 165 GLU471165 1.0000 + 2611 OE2 20.6490 11.3340 1.7500 O.co2 165 GLU471165 1.0000 + 2612 N 22.4310 15.9190 4.2630 N.am 166 LYS472166 1.0000 + 2613 HN 23.1125 15.9787 3.4930 H 166 LYS472166 1.0000 + 2614 CA 22.5730 16.8320 5.3840 C.3 166 LYS472166 1.0000 + 2615 HA 22.7763 16.2803 6.3018 H 166 LYS472166 1.0000 + 2616 C 21.2920 17.6410 5.5800 C.2 166 LYS472166 1.0000 + 2617 O 20.7880 17.7970 6.6920 O.2 166 LYS472166 1.0000 + 2618 CB 23.7470 17.7900 5.1990 C.3 166 LYS472166 1.0000 + 2619 HB1 23.7994 18.4243 6.0839 H 166 LYS472166 1.0000 + 2620 HB2 23.5553 18.3794 4.3024 H 166 LYS472166 1.0000 + 2621 CG 25.1170 17.1650 5.0270 C.3 166 LYS472166 1.0000 + 2622 HG1 25.3173 16.9563 3.9761 H 166 LYS472166 1.0000 + 2623 HG2 25.1860 16.2274 5.5786 H 166 LYS472166 1.0000 + 2624 CD 26.2050 18.0990 5.5410 C.3 166 LYS472166 1.0000 + 2625 HD1 26.6480 17.7167 6.4606 H 166 LYS472166 1.0000 + 2626 HD2 25.8038 19.0904 5.7515 H 166 LYS472166 1.0000 + 2627 CE 27.3190 18.2560 4.5190 C.3 166 LYS472166 1.0000 + 2628 HE1 27.3386 19.2598 4.0947 H 166 LYS472166 1.0000 + 2629 HE2 27.2060 17.5587 3.6889 H 166 LYS472166 1.0000 + 2630 NZ 28.6580 18.0080 5.1210 N.4 166 LYS472166 1.0000 + 2631 HZ1 29.3854 18.1231 4.4009 H 166 LYS472166 1.0000 + 2632 HZ2 28.8217 18.6801 5.8841 H 166 LYS472166 1.0000 + 2633 HZ3 28.6945 17.0490 5.4950 H 166 LYS472166 1.0000 + 2634 N 20.7560 18.1610 4.4720 N.am 167 ASP473167 1.0000 + 2635 HN 21.2039 18.0226 3.5549 H 167 ASP473167 1.0000 + 2636 CA 19.5270 18.9260 4.5910 C.3 167 ASP473167 1.0000 + 2637 HA 19.6853 19.8041 5.2171 H 167 ASP473167 1.0000 + 2638 C 18.4270 18.0720 5.2210 C.2 167 ASP473167 1.0000 + 2639 O 17.7500 18.5460 6.1230 O.2 167 ASP473167 1.0000 + 2640 CB 18.9960 19.4630 3.2610 C.3 167 ASP473167 1.0000 + 2641 HB1 18.6451 18.6183 2.6682 H 167 ASP473167 1.0000 + 2642 HB2 19.8104 19.9788 2.7523 H 167 ASP473167 1.0000 + 2643 CG 17.8490 20.4270 3.5590 C.2 167 ASP473167 1.0000 + 2644 OD1 18.0810 21.3900 4.3290 O.co2 167 ASP473167 1.0000 + 2645 OD2 16.7310 20.2290 3.0530 O.co2 167 ASP473167 1.0000 + 2646 N 18.3000 16.8550 4.7180 N.am 168 HIS474168 1.0000 + 2647 HN 18.9414 16.5554 3.9698 H 168 HIS474168 1.0000 + 2648 CA 17.2830 15.9260 5.1880 C.3 168 HIS474168 1.0000 + 2649 HA 16.2742 16.3159 5.0527 H 168 HIS474168 1.0000 + 2650 C 17.4320 15.6100 6.6730 C.2 168 HIS474168 1.0000 + 2651 O 16.4760 15.5660 7.4490 O.2 168 HIS474168 1.0000 + 2652 CB 17.3580 14.6210 4.3700 C.3 168 HIS474168 1.0000 + 2653 HB1 18.3552 14.1900 4.4589 H 168 HIS474168 1.0000 + 2654 HB2 17.1493 14.8337 3.3215 H 168 HIS474168 1.0000 + 2655 CG 16.3460 13.6420 4.8890 C.ar 168 HIS474168 1.0000 + 2656 ND1 16.6840 12.4980 5.5690 N.ar 168 HIS474168 1.0000 + 2657 CD2 14.9920 13.6580 4.8450 C.ar 168 HIS474168 1.0000 + 2658 HD2 14.3705 14.4295 4.3904 H 168 HIS474168 1.0000 + 2659 CE1 15.5920 11.8390 5.9080 C.ar 168 HIS474168 1.0000 + 2660 HE1 15.5572 10.8933 6.4489 H 168 HIS474168 1.0000 + 2661 NE2 14.5470 12.5260 5.4770 N.ar 168 HIS474168 1.0000 + 2662 HE2 13.5606 12.2548 5.5967 H 168 HIS474168 1.0000 + 2663 N 18.6790 15.3760 7.0810 N.am 169 ILE475169 1.0000 + 2664 HN 19.4516 15.4210 6.4013 H 169 ILE475169 1.0000 + 2665 CA 18.9670 15.0570 8.4760 C.3 169 ILE475169 1.0000 + 2666 HA 18.3816 14.1972 8.8019 H 169 ILE475169 1.0000 + 2667 C 18.6270 16.2350 9.3760 C.2 169 ILE475169 1.0000 + 2668 O 18.0300 16.1160 10.4440 O.2 169 ILE475169 1.0000 + 2669 CB 20.4440 14.6410 8.6410 C.3 169 ILE475169 1.0000 + 2670 HB 21.1111 15.3761 8.1908 H 169 ILE475169 1.0000 + 2671 CG1 20.8120 13.3610 7.8900 C.3 169 ILE475169 1.0000 + 2672 HG11 20.5031 13.4770 6.8512 H 169 ILE475169 1.0000 + 2673 HG12 20.2862 12.5296 8.3596 H 169 ILE475169 1.0000 + 2674 CG2 20.8150 14.5140 10.1070 C.3 169 ILE475169 1.0000 + 2675 HG21 21.8610 14.2199 10.1935 H 169 ILE475169 1.0000 + 2676 HG22 20.6652 15.4722 10.6046 H 169 ILE475169 1.0000 + 2677 HG23 20.1856 13.7586 10.5775 H 169 ILE475169 1.0000 + 2678 CD1 22.2880 13.0200 7.8880 C.3 169 ILE475169 1.0000 + 2679 HD11 22.4474 12.0967 7.3310 H 169 ILE475169 1.0000 + 2680 HD12 22.8476 13.8286 7.4177 H 169 ILE475169 1.0000 + 2681 HD13 22.6326 12.8890 8.9138 H 169 ILE475169 1.0000 + 2682 N 19.0190 17.4350 8.9390 N.am 170 HIS476170 1.0000 + 2683 HN 19.5103 17.5386 8.0397 H 170 HIS476170 1.0000 + 2684 CA 18.7280 18.5980 9.7790 C.3 170 HIS476170 1.0000 + 2685 HA 19.1469 18.4613 10.7759 H 170 HIS476170 1.0000 + 2686 C 17.2300 18.7950 9.9090 C.2 170 HIS476170 1.0000 + 2687 O 16.7010 19.1570 10.9580 O.2 170 HIS476170 1.0000 + 2688 CB 19.4680 19.8090 9.1880 C.3 170 HIS476170 1.0000 + 2689 HB1 18.9990 20.7175 9.5658 H 170 HIS476170 1.0000 + 2690 HB2 19.3912 19.7633 8.1017 H 170 HIS476170 1.0000 + 2691 CG 20.9140 19.7420 9.6190 C.ar 170 HIS476170 1.0000 + 2692 ND1 21.9820 19.8800 8.7710 N.ar 170 HIS476170 1.0000 + 2693 CD2 21.4360 19.5350 10.8550 C.ar 170 HIS476170 1.0000 + 2694 HD2 20.8753 19.3810 11.7770 H 170 HIS476170 1.0000 + 2695 CE1 23.1040 19.7650 9.4560 C.ar 170 HIS476170 1.0000 + 2696 HE1 24.1112 19.8311 9.0446 H 170 HIS476170 1.0000 + 2697 NE2 22.8000 19.5560 10.7260 N.ar 170 HIS476170 1.0000 + 2698 HE2 23.4770 19.4298 11.4919 H 170 HIS476170 1.0000 + 2699 N 16.4900 18.5250 8.8370 N.am 171 ARG477171 1.0000 + 2700 HN 16.9466 18.2524 7.9549 H 171 ARG477171 1.0000 + 2701 CA 15.0320 18.6130 8.9040 C.3 171 ARG477171 1.0000 + 2702 HA 14.7028 19.5765 9.2930 H 171 ARG477171 1.0000 + 2703 C 14.4450 17.5440 9.8060 C.2 171 ARG477171 1.0000 + 2704 O 13.4820 17.7580 10.5490 O.2 171 ARG477171 1.0000 + 2705 CB 14.5040 18.5240 7.4760 C.3 171 ARG477171 1.0000 + 2706 HB1 13.7343 17.7530 7.4419 H 171 ARG477171 1.0000 + 2707 HB2 15.3340 18.2655 6.8185 H 171 ARG477171 1.0000 + 2708 CG 13.8880 19.8190 6.9600 C.3 171 ARG477171 1.0000 + 2709 HG1 14.6724 20.4353 6.5207 H 171 ARG477171 1.0000 + 2710 HG2 13.4229 20.3476 7.7921 H 171 ARG477171 1.0000 + 2711 CD 12.8330 19.4830 5.9000 C.3 171 ARG477171 1.0000 + 2712 HD1 12.6506 20.3530 5.2691 H 171 ARG477171 1.0000 + 2713 HD2 11.9003 19.1928 6.3837 H 171 ARG477171 1.0000 + 2714 NE 13.3030 18.3730 5.0610 N.pl3 171 ARG477171 1.0000 + 2715 HE 13.0608 17.4131 5.3452 H 171 ARG477171 1.0000 + 2716 CZ 14.0210 18.5360 3.9590 C.cat 171 ARG477171 1.0000 + 2717 NH1 14.3510 19.7580 3.5610 N.pl3 171 ARG477171 1.0000 + 2718 HH11 14.9089 19.8877 2.7050 H 171 ARG477171 1.0000 + 2719 HH12 14.0491 20.5769 4.1080 H 171 ARG477171 1.0000 + 2720 NH2 14.4090 17.4840 3.2490 N.pl3 171 ARG477171 1.0000 + 2721 HH21 14.9668 17.6175 2.3935 H 171 ARG477171 1.0000 + 2722 HH22 14.1524 16.5341 3.5536 H 171 ARG477171 1.0000 + 2723 N 14.9840 16.3290 9.8450 N.am 172 VAL478172 1.0000 + 2724 HN 15.7378 16.0585 9.1973 H 172 VAL478172 1.0000 + 2725 CA 14.4660 15.3880 10.8440 C.3 172 VAL478172 1.0000 + 2726 HA 13.3812 15.3185 10.7638 H 172 VAL478172 1.0000 + 2727 C 14.8280 15.8630 12.2440 C.2 172 VAL478172 1.0000 + 2728 O 14.0760 15.7130 13.2080 O.2 172 VAL478172 1.0000 + 2729 CB 15.0040 13.9650 10.6320 C.3 172 VAL478172 1.0000 + 2730 HB 16.0935 13.9598 10.6638 H 172 VAL478172 1.0000 + 2731 CG1 14.4860 13.0300 11.7200 C.3 172 VAL478172 1.0000 + 2732 HG11 14.8773 12.0263 11.5538 H 172 VAL478172 1.0000 + 2733 HG12 14.8133 13.3901 12.6954 H 172 VAL478172 1.0000 + 2734 HG13 13.3967 13.0044 11.6895 H 172 VAL478172 1.0000 + 2735 CG2 14.6130 13.4740 9.2490 C.3 172 VAL478172 1.0000 + 2736 HG21 14.9953 12.4642 9.0998 H 172 VAL478172 1.0000 + 2737 HG22 13.5268 13.4677 9.1588 H 172 VAL478172 1.0000 + 2738 HG23 15.0359 14.1372 8.4944 H 172 VAL478172 1.0000 + 2739 N 16.0120 16.4610 12.3820 N.am 173 LEU479173 1.0000 + 2740 HN 16.6521 16.5729 11.5828 H 173 LEU479173 1.0000 + 2741 CA 16.3660 16.9530 13.7180 C.3 173 LEU479173 1.0000 + 2742 HA 16.3983 16.1471 14.4512 H 173 LEU479173 1.0000 + 2743 C 15.3660 17.9760 14.2260 C.2 173 LEU479173 1.0000 + 2744 O 14.8540 17.8660 15.3450 O.2 173 LEU479173 1.0000 + 2745 CB 17.8030 17.5030 13.6940 C.3 173 LEU479173 1.0000 + 2746 HB1 18.0101 18.1482 14.5477 H 173 LEU479173 1.0000 + 2747 HB2 18.0018 18.0938 12.7998 H 173 LEU479173 1.0000 + 2748 CG 18.8550 16.3790 13.7240 C.3 173 LEU479173 1.0000 + 2749 HG 18.6123 15.5696 13.0355 H 173 LEU479173 1.0000 + 2750 CD1 20.2350 16.8760 13.3400 C.3 173 LEU479173 1.0000 + 2751 HD11 20.9429 16.0479 13.3756 H 173 LEU479173 1.0000 + 2752 HD12 20.2063 17.2856 12.3303 H 173 LEU479173 1.0000 + 2753 HD13 20.5493 17.6523 14.0377 H 173 LEU479173 1.0000 + 2754 CD2 18.8630 15.7350 15.1040 C.3 173 LEU479173 1.0000 + 2755 HD21 19.6066 14.9385 15.1295 H 173 LEU479173 1.0000 + 2756 HD22 19.1098 16.4859 15.8545 H 173 LEU479173 1.0000 + 2757 HD23 17.8783 15.3190 15.3171 H 173 LEU479173 1.0000 + 2758 N 15.0640 18.9690 13.3950 N.am 174 ASP480174 1.0000 + 2759 HN 15.5444 19.0212 12.4854 H 174 ASP480174 1.0000 + 2760 CA 14.0770 19.9840 13.7290 C.3 174 ASP480174 1.0000 + 2761 HA 14.4142 20.6215 14.5463 H 174 ASP480174 1.0000 + 2762 C 12.7560 19.3650 14.1600 C.2 174 ASP480174 1.0000 + 2763 O 12.0800 19.8530 15.0630 O.2 174 ASP480174 1.0000 + 2764 CB 13.8190 20.9020 12.5340 C.3 174 ASP480174 1.0000 + 2765 HB1 12.9398 21.5314 12.6717 H 174 ASP480174 1.0000 + 2766 HB2 13.6549 20.3491 11.6091 H 174 ASP480174 1.0000 + 2767 CG 14.9770 21.8460 12.2630 C.2 174 ASP480174 1.0000 + 2768 OD1 15.9270 21.9350 13.0750 O.co2 174 ASP480174 1.0000 + 2769 OD2 14.9200 22.5130 11.2030 O.co2 174 ASP480174 1.0000 + 2770 N 12.3920 18.2730 13.4920 N.am 175 LYS481175 1.0000 + 2771 HN 13.0028 17.8750 12.7643 H 175 LYS481175 1.0000 + 2772 CA 11.1110 17.6500 13.8100 C.3 175 LYS481175 1.0000 + 2773 HA 10.3244 18.4045 13.8045 H 175 LYS481175 1.0000 + 2774 C 11.1810 17.0100 15.1840 C.2 175 LYS481175 1.0000 + 2775 O 10.2290 17.0800 15.9550 O.2 175 LYS481175 1.0000 + 2776 CB 10.6810 16.6310 12.7490 C.3 175 LYS481175 1.0000 + 2777 HB1 11.5745 16.1325 12.3732 H 175 LYS481175 1.0000 + 2778 HB2 10.1733 17.1673 11.9473 H 175 LYS481175 1.0000 + 2779 CG 9.7350 15.5570 13.2520 C.3 175 LYS481175 1.0000 + 2780 HG1 9.8078 15.3808 14.3252 H 175 LYS481175 1.0000 + 2781 HG2 9.8990 14.5825 12.7921 H 175 LYS481175 1.0000 + 2782 CD 8.2730 15.8720 13.0010 C.3 175 LYS481175 1.0000 + 2783 HD1 7.6190 15.5911 13.8265 H 175 LYS481175 1.0000 + 2784 HD2 7.8619 15.3651 12.1280 H 175 LYS481175 1.0000 + 2785 CE 8.0020 17.3470 12.7660 C.3 175 LYS481175 1.0000 + 2786 HE1 8.8647 17.9675 13.0086 H 175 LYS481175 1.0000 + 2787 HE2 7.1732 17.7144 13.3711 H 175 LYS481175 1.0000 + 2788 NZ 7.6540 17.6360 11.3440 N.4 175 LYS481175 1.0000 + 2789 HZ1 7.4789 18.6447 11.2311 H 175 LYS481175 1.0000 + 2790 HZ2 8.4348 17.3532 10.7347 H 175 LYS481175 1.0000 + 2791 HZ3 6.8078 17.1098 11.0834 H 175 LYS481175 1.0000 + 2792 N 12.3150 16.3830 15.4960 N.am 176 ILE482176 1.0000 + 2793 HN 13.0957 16.3212 14.8270 H 176 ILE482176 1.0000 + 2794 CA 12.4040 15.7870 16.8270 C.3 176 ILE482176 1.0000 + 2795 HA 11.5300 15.1588 16.9991 H 176 ILE482176 1.0000 + 2796 C 12.4530 16.8960 17.8730 C.2 176 ILE482176 1.0000 + 2797 O 12.0950 16.6910 19.0330 O.2 176 ILE482176 1.0000 + 2798 CB 13.6320 14.8800 16.9870 C.3 176 ILE482176 1.0000 + 2799 HB 14.5351 15.4217 16.7057 H 176 ILE482176 1.0000 + 2800 CG1 13.6520 13.6780 16.0350 C.3 176 ILE482176 1.0000 + 2801 HG11 13.5213 13.9823 14.9965 H 176 ILE482176 1.0000 + 2802 HG12 12.8567 12.9683 16.2628 H 176 ILE482176 1.0000 + 2803 CG2 13.7590 14.4270 18.4310 C.3 176 ILE482176 1.0000 + 2804 HG21 14.6329 13.7840 18.5351 H 176 ILE482176 1.0000 + 2805 HG22 13.8703 15.2978 19.0771 H 176 ILE482176 1.0000 + 2806 HG23 12.8651 13.8736 18.7187 H 176 ILE482176 1.0000 + 2807 CD1 14.9670 12.9160 16.1150 C.3 176 ILE482176 1.0000 + 2808 HD11 14.9410 12.0721 15.4256 H 176 ILE482176 1.0000 + 2809 HD12 15.7889 13.5794 15.8456 H 176 ILE482176 1.0000 + 2810 HD13 15.1142 12.5500 17.1311 H 176 ILE482176 1.0000 + 2811 N 12.9030 18.0770 17.4400 N.am 177 THR483177 1.0000 + 2812 HN 13.2147 18.1999 16.4660 H 177 THR483177 1.0000 + 2813 CA 12.9410 19.1960 18.3920 C.3 177 THR483177 1.0000 + 2814 HA 13.4267 18.8533 19.3056 H 177 THR483177 1.0000 + 2815 C 11.5010 19.6340 18.6800 C.2 177 THR483177 1.0000 + 2816 O 11.1470 19.8540 19.8390 O.2 177 THR483177 1.0000 + 2817 CB 13.7970 20.3690 17.8980 C.3 177 THR483177 1.0000 + 2818 HB 13.4016 20.8090 16.9825 H 177 THR483177 1.0000 + 2819 OG1 15.1610 19.9600 17.7160 O.3 177 THR483177 1.0000 + 2820 HG1 15.2111 19.2525 16.9691 H 177 THR483177 1.0000 + 2821 CG2 13.8780 21.4940 18.9250 C.3 177 THR483177 1.0000 + 2822 HG21 14.4942 22.3024 18.5313 H 177 THR483177 1.0000 + 2823 HG22 12.8761 21.8697 19.1329 H 177 THR483177 1.0000 + 2824 HG23 14.3217 21.1150 19.8456 H 177 THR483177 1.0000 + 2825 N 10.7090 19.7310 17.6140 N.am 178 ASP484178 1.0000 + 2826 HN 11.1201 19.5809 16.6816 H 178 ASP484178 1.0000 + 2827 CA 9.2860 20.0400 17.7050 C.3 178 ASP484178 1.0000 + 2828 HA 9.1258 21.0474 18.0893 H 178 ASP484178 1.0000 + 2829 C 8.5670 19.0640 18.6410 C.2 178 ASP484178 1.0000 + 2830 O 7.6710 19.4490 19.3920 O.2 178 ASP484178 1.0000 + 2831 CB 8.6080 20.0020 16.3360 C.3 178 ASP484178 1.0000 + 2832 HB1 7.5308 20.1593 16.3903 H 178 ASP484178 1.0000 + 2833 HB2 8.7427 19.0509 15.8209 H 178 ASP484178 1.0000 + 2834 CG 9.1320 21.0630 15.3860 C.2 178 ASP484178 1.0000 + 2835 OD1 9.5890 22.1300 15.8530 O.co2 178 ASP484178 1.0000 + 2836 OD2 9.0860 20.8320 14.1550 O.co2 178 ASP484178 1.0000 + 2837 N 8.9970 17.8120 18.5720 N.am 179 THR485179 1.0000 + 2838 HN 9.7746 17.6070 17.9284 H 179 THR485179 1.0000 + 2839 CA 8.4470 16.7080 19.3420 C.3 179 THR485179 1.0000 + 2840 HA 7.3598 16.6778 19.2694 H 179 THR485179 1.0000 + 2841 C 8.8060 16.8290 20.8140 C.2 179 THR485179 1.0000 + 2842 O 7.9640 16.6110 21.6920 O.2 179 THR485179 1.0000 + 2843 CB 8.9180 15.3660 18.7650 C.3 179 THR485179 1.0000 + 2844 HB 9.9950 15.2442 18.8808 H 179 THR485179 1.0000 + 2845 OG1 8.5180 15.2960 17.3880 O.3 179 THR485179 1.0000 + 2846 HG1 8.3749 16.2484 17.0227 H 179 THR485179 1.0000 + 2847 CG2 8.2430 14.2010 19.4660 C.3 179 THR485179 1.0000 + 2848 HG21 8.5962 13.2637 19.0362 H 179 THR485179 1.0000 + 2849 HG22 8.4843 14.2265 20.5287 H 179 THR485179 1.0000 + 2850 HG23 7.1632 14.2751 19.3373 H 179 THR485179 1.0000 + 2851 N 10.0420 17.2060 21.1010 N.am 180 LEU486180 1.0000 + 2852 HN 10.7390 17.3313 20.3531 H 180 LEU486180 1.0000 + 2853 CA 10.4010 17.4420 22.5030 C.3 180 LEU486180 1.0000 + 2854 HA 10.2149 16.5582 23.1132 H 180 LEU486180 1.0000 + 2855 C 9.5940 18.5870 23.0940 C.2 180 LEU486180 1.0000 + 2856 O 9.0630 18.5590 24.2070 O.2 180 LEU486180 1.0000 + 2857 CB 11.9120 17.7100 22.5940 C.3 180 LEU486180 1.0000 + 2858 HB1 12.1882 18.3288 23.4477 H 180 LEU486180 1.0000 + 2859 HB2 12.3106 18.2256 21.7203 H 180 LEU486180 1.0000 + 2860 CG 12.7490 16.4260 22.7300 C.3 180 LEU486180 1.0000 + 2861 HG 12.3905 15.6312 22.0759 H 180 LEU486180 1.0000 + 2862 CD1 14.2080 16.6550 22.3790 C.3 180 LEU486180 1.0000 + 2863 HD11 14.7597 15.7214 22.4894 H 180 LEU486180 1.0000 + 2864 HD12 14.2842 17.0017 21.3484 H 180 LEU486180 1.0000 + 2865 HD13 14.6292 17.4065 23.0467 H 180 LEU486180 1.0000 + 2866 CD2 12.6030 15.8830 24.1430 C.3 180 LEU486180 1.0000 + 2867 HD21 13.1939 14.9729 24.2459 H 180 LEU486180 1.0000 + 2868 HD22 12.9557 16.6272 24.8570 H 180 LEU486180 1.0000 + 2869 HD23 11.5546 15.6592 24.3403 H 180 LEU486180 1.0000 + 2870 N 9.4750 19.6700 22.3130 N.am 181 ILE487181 1.0000 + 2871 HN 9.8959 19.7079 21.3737 H 181 ILE487181 1.0000 + 2872 CA 8.7160 20.7980 22.8620 C.3 181 ILE487181 1.0000 + 2873 HA 9.1518 21.0883 23.8180 H 181 ILE487181 1.0000 + 2874 C 7.2660 20.3720 23.0610 C.2 181 ILE487181 1.0000 + 2875 O 6.6520 20.6770 24.0820 O.2 181 ILE487181 1.0000 + 2876 CB 8.8320 22.0400 21.9700 C.3 181 ILE487181 1.0000 + 2877 HB 8.6382 21.7858 20.9279 H 181 ILE487181 1.0000 + 2878 CG1 10.2540 22.6190 21.9290 C.3 181 ILE487181 1.0000 + 2879 HG11 10.3643 23.4278 21.2067 H 181 ILE487181 1.0000 + 2880 HG12 11.0080 21.8791 21.6606 H 181 ILE487181 1.0000 + 2881 CG2 7.8320 23.1000 22.3930 C.3 181 ILE487181 1.0000 + 2882 HG21 7.9314 23.9724 21.7471 H 181 ILE487181 1.0000 + 2883 HG22 6.8213 22.7004 22.3100 H 181 ILE487181 1.0000 + 2884 HG23 8.0240 23.3897 23.4261 H 181 ILE487181 1.0000 + 2885 CD1 10.6990 23.1940 23.2600 C.3 181 ILE487181 1.0000 + 2886 HD11 11.7113 23.5872 23.1663 H 181 ILE487181 1.0000 + 2887 HD12 10.0234 23.9974 23.5534 H 181 ILE487181 1.0000 + 2888 HD13 10.6827 22.4111 24.0183 H 181 ILE487181 1.0000 + 2889 N 6.7510 19.6350 22.0780 N.am 182 HIS488182 1.0000 + 2890 HN 7.3209 19.4228 21.2467 H 182 HIS488182 1.0000 + 2891 CA 5.3820 19.1240 22.1690 C.3 182 HIS488182 1.0000 + 2892 HA 4.6723 19.9499 22.2168 H 182 HIS488182 1.0000 + 2893 C 5.2190 18.2710 23.4170 C.2 182 HIS488182 1.0000 + 2894 O 4.3080 18.4750 24.2120 O.2 182 HIS488182 1.0000 + 2895 CB 5.0220 18.3300 20.9190 C.3 182 HIS488182 1.0000 + 2896 HB1 5.8161 17.6061 20.7360 H 182 HIS488182 1.0000 + 2897 HB2 4.9362 19.0280 20.0862 H 182 HIS488182 1.0000 + 2898 CG 3.7360 17.5730 21.0040 C.ar 182 HIS488182 1.0000 + 2899 ND1 2.5080 18.1900 20.9320 N.ar 182 HIS488182 1.0000 + 2900 CD2 3.4870 16.2470 21.1500 C.ar 182 HIS488182 1.0000 + 2901 HD2 4.2312 15.4554 21.2375 H 182 HIS488182 1.0000 + 2902 CE1 1.5580 17.2770 21.0320 C.ar 182 HIS488182 1.0000 + 2903 HE1 0.4857 17.4712 21.0074 H 182 HIS488182 1.0000 + 2904 NE2 2.1230 16.0880 21.1670 N.ar 182 HIS488182 1.0000 + 2905 HE2 1.6233 15.1930 21.2679 H 182 HIS488182 1.0000 + 2906 N 6.1140 17.3020 23.6080 N.am 183 LEU489183 1.0000 + 2907 HN 6.8499 17.1252 22.9093 H 183 LEU489183 1.0000 + 2908 CA 6.0360 16.4950 24.8220 C.3 183 LEU489183 1.0000 + 2909 HA 5.1052 15.9288 24.8536 H 183 LEU489183 1.0000 + 2910 C 6.0940 17.3730 26.0620 C.2 183 LEU489183 1.0000 + 2911 O 5.4190 17.1580 27.0700 O.2 183 LEU489183 1.0000 + 2912 CB 7.1560 15.4550 24.8360 C.3 183 LEU489183 1.0000 + 2913 HB1 7.1999 15.0238 25.8361 H 183 LEU489183 1.0000 + 2914 HB2 8.0879 15.9632 24.5883 H 183 LEU489183 1.0000 + 2915 CG 7.0030 14.2940 23.8530 C.3 183 LEU489183 1.0000 + 2916 HG 6.7004 14.6614 22.8724 H 183 LEU489183 1.0000 + 2917 CD1 8.3220 13.5460 23.7010 C.3 183 LEU489183 1.0000 + 2918 HD11 8.1946 12.7230 22.9978 H 183 LEU489183 1.0000 + 2919 HD12 9.0859 14.2277 23.3271 H 183 LEU489183 1.0000 + 2920 HD13 8.6302 13.1515 24.6692 H 183 LEU489183 1.0000 + 2921 CD2 5.9110 13.3330 24.2950 C.3 183 LEU489183 1.0000 + 2922 HD21 5.8285 12.5196 23.5741 H 183 LEU489183 1.0000 + 2923 HD22 6.1596 12.9256 25.2749 H 183 LEU489183 1.0000 + 2924 HD23 4.9608 13.8639 24.3533 H 183 LEU489183 1.0000 + 2925 N 6.9140 18.4240 26.0290 N.am 184 MET490184 1.0000 + 2926 HN 7.4529 18.6625 25.1842 H 184 MET490184 1.0000 + 2927 CA 7.0110 19.2240 27.2550 C.3 184 MET490184 1.0000 + 2928 HA 7.1756 18.6065 28.1380 H 184 MET490184 1.0000 + 2929 C 5.7500 20.0280 27.5170 C.2 184 MET490184 1.0000 + 2930 O 5.3040 20.1360 28.6630 O.2 184 MET490184 1.0000 + 2931 CB 8.2540 20.1070 27.1250 C.3 184 MET490184 1.0000 + 2932 HB1 8.1792 20.9269 27.8393 H 184 MET490184 1.0000 + 2933 HB2 8.3026 20.4984 26.1089 H 184 MET490184 1.0000 + 2934 CG 9.4940 19.2610 27.4230 C.3 184 MET490184 1.0000 + 2935 HG1 9.5542 18.3916 26.7683 H 184 MET490184 1.0000 + 2936 HG2 9.4924 18.8929 28.4490 H 184 MET490184 1.0000 + 2937 SD 11.0140 20.2060 27.1970 S.3 184 MET490184 1.0000 + 2938 CE 11.9590 19.0280 26.2250 C.3 184 MET490184 1.0000 + 2939 HE1 12.9367 19.4498 25.9920 H 184 MET490184 1.0000 + 2940 HE2 12.0874 18.1070 26.7937 H 184 MET490184 1.0000 + 2941 HE3 11.4273 18.8112 25.2985 H 184 MET490184 1.0000 + 2942 N 5.1810 20.5780 26.4510 N.am 185 ALA491185 1.0000 + 2943 HN 5.6169 20.4305 25.5295 H 185 ALA491185 1.0000 + 2944 CA 3.9720 21.3780 26.5260 C.3 185 ALA491185 1.0000 + 2945 HA 4.1257 22.2382 27.1775 H 185 ALA491185 1.0000 + 2946 C 2.8220 20.5500 27.0810 C.2 185 ALA491185 1.0000 + 2947 O 2.0980 20.9390 27.9950 O.2 185 ALA491185 1.0000 + 2948 CB 3.6240 21.9320 25.1480 C.3 185 ALA491185 1.0000 + 2949 HB1 2.7156 22.5306 25.2153 H 185 ALA491185 1.0000 + 2950 HB2 4.4432 22.5549 24.7888 H 185 ALA491185 1.0000 + 2951 HB3 3.4643 21.1069 24.4539 H 185 ALA491185 1.0000 + 2952 N 2.6610 19.3610 26.5040 N.am 186 LYS492186 1.0000 + 2953 HN 3.3076 19.0573 25.7620 H 186 LYS492186 1.0000 + 2954 CA 1.5720 18.4900 26.9210 C.3 186 LYS492186 1.0000 + 2955 HA 0.6069 18.9596 26.7308 H 186 LYS492186 1.0000 + 2956 C 1.6650 18.1840 28.4090 C.2 186 LYS492186 1.0000 + 2957 O 0.6510 17.9150 29.0410 O.2 186 LYS492186 1.0000 + 2958 CB 1.5860 17.1820 26.1280 C.3 186 LYS492186 1.0000 + 2959 HB1 1.2495 16.3824 26.7879 H 186 LYS492186 1.0000 + 2960 HB2 2.6066 17.0017 25.7903 H 186 LYS492186 1.0000 + 2961 CG 0.6920 17.1630 24.9000 C.3 186 LYS492186 1.0000 + 2962 HG1 1.1777 17.6873 24.0771 H 186 LYS492186 1.0000 + 2963 HG2 -0.2560 17.6533 25.1214 H 186 LYS492186 1.0000 + 2964 CD 0.4180 15.7250 24.4770 C.3 186 LYS492186 1.0000 + 2965 HD1 -0.1925 15.1848 25.2006 H 186 LYS492186 1.0000 + 2966 HD2 1.3316 15.1429 24.3557 H 186 LYS492186 1.0000 + 2967 CE -0.3190 15.6370 23.1520 C.3 186 LYS492186 1.0000 + 2968 HE1 -0.0244 16.4428 22.4797 H 186 LYS492186 1.0000 + 2969 HE2 -1.3978 15.7047 23.2926 H 186 LYS492186 1.0000 + 2970 NZ -0.0370 14.3490 22.4590 N.4 186 LYS492186 1.0000 + 2971 HZ1 -0.5497 14.3195 21.5661 H 186 LYS492186 1.0000 + 2972 HZ2 0.9737 14.2707 22.2767 H 186 LYS492186 1.0000 + 2973 HZ3 -0.3398 13.5648 23.0542 H 186 LYS492186 1.0000 + 2974 N 2.8750 18.2110 28.9530 N.am 187 ALA493187 1.0000 + 2975 HN 3.6821 18.4694 28.3675 H 187 ALA493187 1.0000 + 2976 CA 3.0920 17.8860 30.3520 C.3 187 ALA493187 1.0000 + 2977 HA 2.4057 17.1117 30.6947 H 187 ALA493187 1.0000 + 2978 C 2.8870 19.1030 31.2490 C.2 187 ALA493187 1.0000 + 2979 O 3.1300 19.0610 32.4560 O.2 187 ALA493187 1.0000 + 2980 CB 4.4890 17.3100 30.5320 C.3 187 ALA493187 1.0000 + 2981 HB1 4.6498 17.0668 31.5823 H 187 ALA493187 1.0000 + 2982 HB2 4.5903 16.4065 29.9308 H 187 ALA493187 1.0000 + 2983 HB3 5.2290 18.0435 30.2120 H 187 ALA493187 1.0000 + 2984 N 2.4350 20.1990 30.6500 N.am 188 GLY494188 1.0000 + 2985 HN 2.3295 20.1897 29.6255 H 188 GLY494188 1.0000 + 2986 CA 2.0850 21.4010 31.3650 C.3 188 GLY494188 1.0000 + 2987 HA1 1.5776 21.1047 32.2831 H 188 GLY494188 1.0000 + 2988 HA2 1.4279 21.9886 30.7239 H 188 GLY494188 1.0000 + 2989 C 3.2260 22.3070 31.7690 C.2 188 GLY494188 1.0000 + 2990 O 3.0620 23.0810 32.7240 O.2 188 GLY494188 1.0000 + 2991 N 4.3610 22.2400 31.0730 N.am 189 LEU495189 1.0000 + 2992 HN 4.4501 21.5414 30.3214 H 189 LEU495189 1.0000 + 2993 CA 5.4800 23.1340 31.3520 C.3 189 LEU495189 1.0000 + 2994 HA 5.6037 23.2373 32.4300 H 189 LEU495189 1.0000 + 2995 C 5.2030 24.5050 30.7390 C.2 189 LEU495189 1.0000 + 2996 O 4.6990 24.5770 29.6120 O.2 189 LEU495189 1.0000 + 2997 CB 6.8000 22.6140 30.7940 C.3 189 LEU495189 1.0000 + 2998 HB1 7.5734 23.3122 31.1141 H 189 LEU495189 1.0000 + 2999 HB2 6.6948 22.5893 29.7094 H 189 LEU495189 1.0000 + 3000 CG 7.3110 21.2370 31.1830 C.3 189 LEU495189 1.0000 + 3001 HG 6.5350 20.4835 31.0481 H 189 LEU495189 1.0000 + 3002 CD1 8.5110 20.8410 30.3250 C.3 189 LEU495189 1.0000 + 3003 HD11 8.8596 19.8517 30.6215 H 189 LEU495189 1.0000 + 3004 HD12 8.2176 20.8228 29.2754 H 189 LEU495189 1.0000 + 3005 HD13 9.3133 21.5655 30.4650 H 189 LEU495189 1.0000 + 3006 CD2 7.7290 21.1480 32.6440 C.3 189 LEU495189 1.0000 + 3007 HD21 8.0845 20.1405 32.8600 H 189 LEU495189 1.0000 + 3008 HD22 8.5276 21.8640 32.8382 H 189 LEU495189 1.0000 + 3009 HD23 6.8746 21.3757 33.2814 H 189 LEU495189 1.0000 + 3010 N 5.5440 25.5670 31.4700 N.am 190 THR496190 1.0000 + 3011 HN 5.8413 25.4489 32.4491 H 190 THR496190 1.0000 + 3012 CA 5.4930 26.8950 30.8740 C.3 190 THR496190 1.0000 + 3013 HA 4.4779 27.1112 30.5409 H 190 THR496190 1.0000 + 3014 C 6.4430 26.9610 29.6700 C.2 190 THR496190 1.0000 + 3015 O 7.4130 26.2090 29.6150 O.2 190 THR496190 1.0000 + 3016 CB 5.8980 28.0340 31.8240 C.3 190 THR496190 1.0000 + 3017 HB 5.8207 29.0047 31.3342 H 190 THR496190 1.0000 + 3018 OG1 7.2380 27.8140 32.2790 O.3 190 THR496190 1.0000 + 3019 HG1 7.4106 28.3760 33.1248 H 190 THR496190 1.0000 + 3020 CG2 5.0100 28.0690 33.0520 C.3 190 THR496190 1.0000 + 3021 HG21 5.3221 28.8852 33.7036 H 190 THR496190 1.0000 + 3022 HG22 3.9746 28.2231 32.7480 H 190 THR496190 1.0000 + 3023 HG23 5.0938 27.1240 33.5887 H 190 THR496190 1.0000 + 3024 N 6.1460 27.8620 28.7450 N.am 191 LEU497191 1.0000 + 3025 HN 5.2585 28.3758 28.8415 H 191 LEU497191 1.0000 + 3026 CA 6.9860 28.1720 27.6080 C.3 191 LEU497191 1.0000 + 3027 HA 6.8973 27.4047 26.8390 H 191 LEU497191 1.0000 + 3028 C 8.4500 28.2580 28.0220 C.2 191 LEU497191 1.0000 + 3029 O 9.3430 27.7430 27.3680 O.2 191 LEU497191 1.0000 + 3030 CB 6.6180 29.5170 26.9760 C.3 191 LEU497191 1.0000 + 3031 HB1 7.4080 30.2319 27.2059 H 191 LEU497191 1.0000 + 3032 HB2 5.6687 29.8465 27.3984 H 191 LEU497191 1.0000 + 3033 CG 6.4600 29.4690 25.4520 C.3 191 LEU497191 1.0000 + 3034 HG 7.3464 29.8767 24.9660 H 191 LEU497191 1.0000 + 3035 CD1 6.2680 28.0340 24.9850 C.3 191 LEU497191 1.0000 + 3036 HD11 6.1572 28.0159 23.9008 H 191 LEU497191 1.0000 + 3037 HD12 7.1354 27.4391 25.2710 H 191 LEU497191 1.0000 + 3038 HD13 5.3736 27.6173 25.4481 H 191 LEU497191 1.0000 + 3039 CD2 5.3060 30.3480 25.0100 C.3 191 LEU497191 1.0000 + 3040 HD21 5.2083 30.3020 23.9254 H 191 LEU497191 1.0000 + 3041 HD22 4.3835 29.9972 25.4726 H 191 LEU497191 1.0000 + 3042 HD23 5.4956 31.3775 25.3139 H 191 LEU497191 1.0000 + 3043 N 8.6500 28.9380 29.1370 N.am 192 GLN498192 1.0000 + 3044 HN 7.8400 29.3154 29.6492 H 192 GLN498192 1.0000 + 3045 CA 9.9820 29.1640 29.6540 C.3 192 GLN498192 1.0000 + 3046 HA 10.6575 29.6009 28.9185 H 192 GLN498192 1.0000 + 3047 C 10.6630 27.8870 30.1290 C.2 192 GLN498192 1.0000 + 3048 O 11.8540 27.6700 29.8830 O.2 192 GLN498192 1.0000 + 3049 CB 9.9290 30.1630 30.8160 C.3 192 GLN498192 1.0000 + 3050 HB1 9.5995 29.6929 31.7426 H 192 GLN498192 1.0000 + 3051 HB2 9.2413 30.9846 30.6157 H 192 GLN498192 1.0000 + 3052 CG 11.2910 30.7840 31.0950 C.3 192 GLN498192 1.0000 + 3053 HG1 11.5436 31.4968 30.3100 H 192 GLN498192 1.0000 + 3054 HG2 12.0552 30.0075 31.1270 H 192 GLN498192 1.0000 + 3055 CD 11.2680 31.5090 32.4310 C.2 192 GLN498192 1.0000 + 3056 OE1 10.3490 31.2670 33.2180 O.2 192 GLN498192 1.0000 + 3057 NE2 12.2590 32.3670 32.6460 N.am 192 GLN498192 1.0000 + 3058 HE21 12.9854 32.5049 31.9289 H 192 GLN498192 1.0000 + 3059 HE22 12.3009 32.8944 33.5297 H 192 GLN498192 1.0000 + 3060 N 9.9050 27.0460 30.8300 N.am 193 GLN499193 1.0000 + 3061 HN 8.9110 27.2581 30.9969 H 193 GLN499193 1.0000 + 3062 CA 10.4960 25.8200 31.3600 C.3 193 GLN499193 1.0000 + 3063 HA 11.4064 26.0635 31.9078 H 193 GLN499193 1.0000 + 3064 C 10.8310 24.8800 30.2090 C.2 193 GLN499193 1.0000 + 3065 O 11.7230 24.0440 30.3140 O.2 193 GLN499193 1.0000 + 3066 CB 9.5520 25.1390 32.3480 C.3 193 GLN499193 1.0000 + 3067 HB1 9.8492 24.1122 32.5612 H 193 GLN499193 1.0000 + 3068 HB2 8.5280 25.0959 31.9769 H 193 GLN499193 1.0000 + 3069 CG 9.4990 25.8650 33.6900 C.3 193 GLN499193 1.0000 + 3070 HG1 9.4050 26.9433 33.5613 H 193 GLN499193 1.0000 + 3071 HG2 10.3989 25.6887 34.2793 H 193 GLN499193 1.0000 + 3072 CD 8.3200 25.4100 34.5270 C.2 193 GLN499193 1.0000 + 3073 OE1 7.2570 25.1120 33.9800 O.2 193 GLN499193 1.0000 + 3074 NE2 8.5200 25.3520 35.8350 N.am 193 GLN499193 1.0000 + 3075 HE21 9.4347 25.6157 36.2283 H 193 GLN499193 1.0000 + 3076 HE22 7.7608 25.0433 36.4589 H 193 GLN499193 1.0000 + 3077 N 10.0730 25.0670 29.1350 N.am 194 GLN500194 1.0000 + 3078 HN 9.3604 25.8103 29.1590 H 194 GLN500194 1.0000 + 3079 CA 10.2040 24.2700 27.9280 C.3 194 GLN500194 1.0000 + 3080 HA 10.0649 23.2110 28.1455 H 194 GLN500194 1.0000 + 3081 C 11.5870 24.4480 27.3070 C.2 194 GLN500194 1.0000 + 3082 O 12.4000 23.5270 27.2440 O.2 194 GLN500194 1.0000 + 3083 CB 9.1120 24.6620 26.9260 C.3 194 GLN500194 1.0000 + 3084 HB1 9.2997 24.3105 25.9114 H 194 GLN500194 1.0000 + 3085 HB2 8.9721 25.7385 26.8271 H 194 GLN500194 1.0000 + 3086 CG 7.7350 24.1210 27.2770 C.3 194 GLN500194 1.0000 + 3087 HG1 7.4690 24.2681 28.3237 H 194 GLN500194 1.0000 + 3088 HG2 7.6356 23.0501 27.0999 H 194 GLN500194 1.0000 + 3089 CD 6.6180 24.7670 26.4820 C.2 194 GLN500194 1.0000 + 3090 OE1 6.6650 24.8010 25.2500 O.2 194 GLN500194 1.0000 + 3091 NE2 5.6060 25.2840 27.1750 N.am 194 GLN500194 1.0000 + 3092 HE21 5.6074 25.2335 28.2038 H 194 GLN500194 1.0000 + 3093 HE22 4.8216 25.7346 26.6825 H 194 GLN500194 1.0000 + 3094 N 11.8530 25.6640 26.8380 N.am 195 HIS501195 1.0000 + 3095 HN 11.1477 26.4101 26.9207 H 195 HIS501195 1.0000 + 3096 CA 13.1400 25.9480 26.2060 C.3 195 HIS501195 1.0000 + 3097 HA 13.2411 25.3344 25.3108 H 195 HIS501195 1.0000 + 3098 C 14.2600 25.6210 27.1860 C.2 195 HIS501195 1.0000 + 3099 O 15.3020 25.0710 26.8270 O.2 195 HIS501195 1.0000 + 3100 CB 13.1600 27.3930 25.7220 C.3 195 HIS501195 1.0000 + 3101 HB1 12.1912 27.6111 25.2725 H 195 HIS501195 1.0000 + 3102 HB2 13.9601 27.4915 24.9883 H 195 HIS501195 1.0000 + 3103 CG 13.3990 28.4200 26.7770 C.ar 195 HIS501195 1.0000 + 3104 ND1 12.4550 28.8680 27.6660 N.ar 195 HIS501195 1.0000 + 3105 CD2 14.5170 29.1150 27.0860 C.ar 195 HIS501195 1.0000 + 3106 HD2 15.4772 29.0232 26.5783 H 195 HIS501195 1.0000 + 3107 CE1 12.9920 29.7780 28.4610 C.ar 195 HIS501195 1.0000 + 3108 HE1 12.4689 30.3020 29.2609 H 195 HIS501195 1.0000 + 3109 NE2 14.2530 29.9530 28.1380 N.ar 195 HIS501195 1.0000 + 3110 HE2 14.9174 30.5976 28.5896 H 195 HIS501195 1.0000 + 3111 N 14.0260 25.9450 28.4560 N.am 196 GLN502196 1.0000 + 3112 HN 13.1549 26.4284 28.7177 H 196 GLN502196 1.0000 + 3113 CA 15.0200 25.6070 29.4770 C.3 196 GLN502196 1.0000 + 3114 HA 15.9632 26.1153 29.2766 H 196 GLN502196 1.0000 + 3115 C 15.2790 24.1060 29.4960 C.2 196 GLN502196 1.0000 + 3116 O 16.4220 23.6460 29.4830 O.2 196 GLN502196 1.0000 + 3117 CB 14.5650 26.1100 30.8490 C.3 196 GLN502196 1.0000 + 3118 HB1 15.0585 25.5029 31.6080 H 196 GLN502196 1.0000 + 3119 HB2 13.4819 25.9997 30.9030 H 196 GLN502196 1.0000 + 3120 CG 14.8810 27.5640 31.1670 C.3 196 GLN502196 1.0000 + 3121 HG1 14.4545 28.2597 30.4443 H 196 GLN502196 1.0000 + 3122 HG2 15.9507 27.7728 31.1836 H 196 GLN502196 1.0000 + 3123 CD 14.3540 28.0020 32.5220 C.2 196 GLN502196 1.0000 + 3124 OE1 14.1050 27.2030 33.4220 O.2 196 GLN502196 1.0000 + 3125 NE2 14.1870 29.3050 32.6880 N.am 196 GLN502196 1.0000 + 3126 HE21 14.4029 29.9541 31.9180 H 196 GLN502196 1.0000 + 3127 HE22 13.8411 29.6694 33.5871 H 196 GLN502196 1.0000 + 3128 N 14.2290 23.2870 29.5210 N.am 197 ARG503197 1.0000 + 3129 HN 13.2777 23.6765 29.4556 H 197 ARG503197 1.0000 + 3130 CA 14.4110 21.8440 29.6400 C.3 197 ARG503197 1.0000 + 3131 HA 15.1007 21.5973 30.4472 H 197 ARG503197 1.0000 + 3132 C 14.9740 21.2500 28.3560 C.2 197 ARG503197 1.0000 + 3133 O 15.7660 20.3170 28.3810 O.2 197 ARG503197 1.0000 + 3134 CB 13.1040 21.1390 29.9960 C.3 197 ARG503197 1.0000 + 3135 HB1 12.3951 21.1247 29.1682 H 197 ARG503197 1.0000 + 3136 HB2 12.5850 21.6118 30.8298 H 197 ARG503197 1.0000 + 3137 CG 13.3120 19.6830 30.3990 C.3 197 ARG503197 1.0000 + 3138 HG1 14.0614 19.6200 31.1880 H 197 ARG503197 1.0000 + 3139 HG2 13.6512 19.1050 29.5393 H 197 ARG503197 1.0000 + 3140 CD 12.0070 19.0960 30.9070 C.3 197 ARG503197 1.0000 + 3141 HD1 11.1764 19.2935 30.2293 H 197 ARG503197 1.0000 + 3142 HD2 11.7231 19.5041 31.8770 H 197 ARG503197 1.0000 + 3143 NE 12.0810 17.6520 31.0670 N.pl3 197 ARG503197 1.0000 + 3144 HE 11.7407 17.0694 30.2888 H 197 ARG503197 1.0000 + 3145 CZ 12.5530 17.0280 32.1380 C.cat 197 ARG503197 1.0000 + 3146 NH1 13.0030 17.7240 33.1710 N.pl3 197 ARG503197 1.0000 + 3147 HH11 13.3688 17.2357 34.0009 H 197 ARG503197 1.0000 + 3148 HH12 12.9873 18.7535 33.1444 H 197 ARG503197 1.0000 + 3149 NH2 12.5780 15.7040 32.1800 N.pl3 197 ARG503197 1.0000 + 3150 HH21 12.9451 15.2220 33.0130 H 197 ARG503197 1.0000 + 3151 HH22 12.2302 15.1567 31.3797 H 197 ARG503197 1.0000 + 3152 N 14.5540 21.8000 27.2210 N.am 198 LEU504198 1.0000 + 3153 HN 13.8299 22.5323 27.2358 H 198 LEU504198 1.0000 + 3154 CA 15.1270 21.3580 25.9540 C.3 198 LEU504198 1.0000 + 3155 HA 14.8612 20.3175 25.7674 H 198 LEU504198 1.0000 + 3156 C 16.6540 21.4810 25.9980 C.2 198 LEU504198 1.0000 + 3157 O 17.3580 20.5240 25.6590 O.2 198 LEU504198 1.0000 + 3158 CB 14.5320 22.1830 24.8170 C.3 198 LEU504198 1.0000 + 3159 HB1 14.6736 23.2367 25.0571 H 198 LEU504198 1.0000 + 3160 HB2 13.4722 21.9387 24.7439 H 198 LEU504198 1.0000 + 3161 CG 15.1430 21.9500 23.4390 C.3 198 LEU504198 1.0000 + 3162 HG 16.2253 22.0654 23.4977 H 198 LEU504198 1.0000 + 3163 CD1 14.8070 20.5420 22.9670 C.3 198 LEU504198 1.0000 + 3164 HD11 15.2433 20.3746 21.9822 H 198 LEU504198 1.0000 + 3165 HD12 15.2121 19.8157 23.6716 H 198 LEU504198 1.0000 + 3166 HD13 13.7247 20.4263 22.9088 H 198 LEU504198 1.0000 + 3167 CD2 14.6750 22.9750 22.4180 C.3 198 LEU504198 1.0000 + 3168 HD21 15.1381 22.7657 21.4537 H 198 LEU504198 1.0000 + 3169 HD22 13.5908 22.9212 22.3191 H 198 LEU504198 1.0000 + 3170 HD23 14.9601 23.9739 22.7482 H 198 LEU504198 1.0000 + 3171 N 17.1300 22.6450 26.4350 N.am 199 ALA505199 1.0000 + 3172 HN 16.4436 23.3642 26.7043 H 199 ALA505199 1.0000 + 3173 CA 18.5370 22.9860 26.5640 C.3 199 ALA505199 1.0000 + 3174 HA 19.0846 22.8983 25.6256 H 199 ALA505199 1.0000 + 3175 C 19.2770 22.0980 27.5580 C.2 199 ALA505199 1.0000 + 3176 O 20.3700 21.6110 27.2440 O.2 199 ALA505199 1.0000 + 3177 CB 18.6840 24.4510 26.9560 C.3 199 ALA505199 1.0000 + 3178 HB1 19.7414 24.6980 27.0505 H 199 ALA505199 1.0000 + 3179 HB2 18.2316 25.0800 26.1893 H 199 ALA505199 1.0000 + 3180 HB3 18.1843 24.6245 27.9090 H 199 ALA505199 1.0000 + 3181 N 18.7170 21.8630 28.7430 N.am 200 GLN506200 1.0000 + 3182 HN 17.8360 22.3362 28.9896 H 200 GLN506200 1.0000 + 3183 CA 19.3290 20.9490 29.6950 C.3 200 GLN506200 1.0000 + 3184 HA 20.3245 21.2892 29.9802 H 200 GLN506200 1.0000 + 3185 C 19.4660 19.5430 29.0990 C.2 200 GLN506200 1.0000 + 3186 O 20.4770 18.8860 29.3690 O.2 200 GLN506200 1.0000 + 3187 CB 18.5720 20.8570 31.0260 C.3 200 GLN506200 1.0000 + 3188 HB1 19.0924 20.1428 31.6641 H 200 GLN506200 1.0000 + 3189 HB2 17.5568 20.5198 30.8168 H 200 GLN506200 1.0000 + 3190 CG 18.4690 22.1680 31.7960 C.3 200 GLN506200 1.0000 + 3191 HG1 18.3967 23.0430 31.1501 H 200 GLN506200 1.0000 + 3192 HG2 19.3256 22.3565 32.4432 H 200 GLN506200 1.0000 + 3193 CD 17.2560 22.2370 32.7040 C.2 200 GLN506200 1.0000 + 3194 OE1 16.4330 21.3210 32.7900 O.2 200 GLN506200 1.0000 + 3195 NE2 17.1040 23.3450 33.4170 N.am 200 GLN506200 1.0000 + 3196 HE21 17.7945 24.1054 33.3404 H 200 GLN506200 1.0000 + 3197 HE22 16.2954 23.4450 34.0472 H 200 GLN506200 1.0000 + 3198 N 18.4970 19.0860 28.3150 N.am 201 LEU507201 1.0000 + 3199 HN 17.6728 19.6753 28.1299 H 201 LEU507201 1.0000 + 3200 CA 18.5840 17.7560 27.7100 C.3 201 LEU507201 1.0000 + 3201 HA 18.8074 16.9912 28.4538 H 201 LEU507201 1.0000 + 3202 C 19.6840 17.6920 26.6470 C.2 201 LEU507201 1.0000 + 3203 O 20.4940 16.7730 26.5840 O.2 201 LEU507201 1.0000 + 3204 CB 17.2410 17.3360 27.0860 C.3 201 LEU507201 1.0000 + 3205 HB1 17.4093 16.4127 26.5317 H 201 LEU507201 1.0000 + 3206 HB2 16.9184 18.1406 26.4252 H 201 LEU507201 1.0000 + 3207 CG 16.0780 17.0650 28.0500 C.3 201 LEU507201 1.0000 + 3208 HG 15.9067 17.9043 28.7241 H 201 LEU507201 1.0000 + 3209 CD1 14.7740 16.8170 27.3070 C.3 201 LEU507201 1.0000 + 3210 HD11 13.9760 16.6293 28.0253 H 201 LEU507201 1.0000 + 3211 HD12 14.5243 17.6927 26.7079 H 201 LEU507201 1.0000 + 3212 HD13 14.8860 15.9510 26.6546 H 201 LEU507201 1.0000 + 3213 CD2 16.3970 15.8940 28.9580 C.3 201 LEU507201 1.0000 + 3214 HD21 15.5597 15.7187 29.6334 H 201 LEU507201 1.0000 + 3215 HD22 16.5696 15.0025 28.3550 H 201 LEU507201 1.0000 + 3216 HD23 17.2915 16.1175 29.5394 H 201 LEU507201 1.0000 + 3217 N 19.7090 18.6970 25.7780 N.am 202 LEU508202 1.0000 + 3218 HN 19.0290 19.4637 25.8813 H 202 LEU508202 1.0000 + 3219 CA 20.6690 18.7470 24.6840 C.3 202 LEU508202 1.0000 + 3220 HA 20.6531 17.8152 24.1187 H 202 LEU508202 1.0000 + 3221 C 22.0710 18.9590 25.2170 C.2 202 LEU508202 1.0000 + 3222 O 23.0410 18.5220 24.5930 O.2 202 LEU508202 1.0000 + 3223 CB 20.2980 19.8480 23.6820 C.3 202 LEU508202 1.0000 + 3224 HB1 21.0744 20.0201 22.9365 H 202 LEU508202 1.0000 + 3225 HB2 20.1225 20.8121 24.1593 H 202 LEU508202 1.0000 + 3226 CG 19.0190 19.5290 22.8930 C.3 202 LEU508202 1.0000 + 3227 HG 18.1233 19.5699 23.5128 H 202 LEU508202 1.0000 + 3228 CD1 18.7850 20.4930 21.7500 C.3 202 LEU508202 1.0000 + 3229 HD11 17.8683 20.2212 21.2267 H 202 LEU508202 1.0000 + 3230 HD12 18.6925 21.5060 22.1416 H 202 LEU508202 1.0000 + 3231 HD13 19.6254 20.4471 21.0574 H 202 LEU508202 1.0000 + 3232 CD2 19.1020 18.0870 22.4040 C.3 202 LEU508202 1.0000 + 3233 HD21 18.2017 17.8414 21.8408 H 202 LEU508202 1.0000 + 3234 HD22 19.9749 17.9703 21.7617 H 202 LEU508202 1.0000 + 3235 HD23 19.1889 17.4171 23.2595 H 202 LEU508202 1.0000 + 3236 N 22.1980 19.6230 26.3660 N.am 203 LEU509203 1.0000 + 3237 HN 21.3778 19.9980 26.8636 H 203 LEU509203 1.0000 + 3238 CA 23.5550 19.7960 26.8900 C.3 203 LEU509203 1.0000 + 3239 HA 24.2349 20.1042 26.0957 H 203 LEU509203 1.0000 + 3240 C 24.0670 18.4950 27.4810 C.2 203 LEU509203 1.0000 + 3241 O 25.2670 18.2650 27.5830 O.2 203 LEU509203 1.0000 + 3242 CB 23.5750 20.9100 27.9390 C.3 203 LEU509203 1.0000 + 3243 HB1 24.4787 20.8996 28.5484 H 203 LEU509203 1.0000 + 3244 HB2 22.7411 20.8464 28.6380 H 203 LEU509203 1.0000 + 3245 CG 23.5000 22.3130 27.3180 C.3 203 LEU509203 1.0000 + 3246 HG 22.5696 22.4233 26.7609 H 203 LEU509203 1.0000 + 3247 CD1 23.5500 23.3640 28.4090 C.3 203 LEU509203 1.0000 + 3248 HD11 23.4964 24.3563 27.9611 H 203 LEU509203 1.0000 + 3249 HD12 22.7073 23.2257 29.0864 H 203 LEU509203 1.0000 + 3250 HD13 24.4823 23.2670 28.9653 H 203 LEU509203 1.0000 + 3251 CD2 24.6160 22.4610 26.2970 C.3 203 LEU509203 1.0000 + 3252 HD21 24.5711 23.4543 25.8503 H 203 LEU509203 1.0000 + 3253 HD22 25.5794 22.3277 26.7891 H 203 LEU509203 1.0000 + 3254 HD23 24.4990 21.7074 25.5182 H 203 LEU509203 1.0000 + 3255 N 23.1250 17.6390 27.8700 N.am 204 ILE510204 1.0000 + 3256 HN 22.1312 17.9040 27.8148 H 204 ILE510204 1.0000 + 3257 CA 23.5060 16.3210 28.3760 C.3 204 ILE510204 1.0000 + 3258 HA 24.1831 16.4404 29.2218 H 204 ILE510204 1.0000 + 3259 C 24.2010 15.5400 27.2740 C.2 204 ILE510204 1.0000 + 3260 O 25.1380 14.7720 27.4810 O.2 204 ILE510204 1.0000 + 3261 CB 22.2690 15.5760 28.9060 C.3 204 ILE510204 1.0000 + 3262 HB 21.3746 15.8091 28.3282 H 204 ILE510204 1.0000 + 3263 CG1 21.8820 16.0270 30.3220 C.3 204 ILE510204 1.0000 + 3264 HG11 21.9281 17.1064 30.4663 H 204 ILE510204 1.0000 + 3265 HG12 22.5185 15.6121 31.1036 H 204 ILE510204 1.0000 + 3266 CG2 22.4480 14.0720 28.8530 C.3 204 ILE510204 1.0000 + 3267 HG21 21.5513 13.5851 29.2364 H 204 ILE510204 1.0000 + 3268 HG22 22.6165 13.7618 27.8218 H 204 ILE510204 1.0000 + 3269 HG23 23.3051 13.7859 29.4626 H 204 ILE510204 1.0000 + 3270 CD1 20.4790 15.6420 30.7190 C.3 204 ILE510204 1.0000 + 3271 HD11 20.2776 15.9939 31.7308 H 204 ILE510204 1.0000 + 3272 HD12 19.7680 16.0960 30.0287 H 204 ILE510204 1.0000 + 3273 HD13 20.3759 14.5574 30.6849 H 204 ILE510204 1.0000 + 3274 N 23.7300 15.7430 26.0510 N.am 205 LEU511205 1.0000 + 3275 HN 22.9453 16.3953 25.9106 H 205 LEU511205 1.0000 + 3276 CA 24.3090 15.0540 24.9000 C.3 205 LEU511205 1.0000 + 3277 HA 24.2255 13.9704 24.9826 H 205 LEU511205 1.0000 + 3278 C 25.7900 15.3630 24.7280 C.2 205 LEU511205 1.0000 + 3279 O 26.5480 14.5890 24.1490 O.2 205 LEU511205 1.0000 + 3280 CB 23.5460 15.4320 23.6300 C.3 205 LEU511205 1.0000 + 3281 HB1 24.1114 15.0500 22.7800 H 205 LEU511205 1.0000 + 3282 HB2 23.4735 16.5192 23.6006 H 205 LEU511205 1.0000 + 3283 CG 22.1240 14.8950 23.4860 C.3 205 LEU511205 1.0000 + 3284 HG 21.4371 15.5923 23.9656 H 205 LEU511205 1.0000 + 3285 CD1 21.7970 14.7690 22.0010 C.3 205 LEU511205 1.0000 + 3286 HD11 20.7833 14.3862 21.8829 H 205 LEU511205 1.0000 + 3287 HD12 21.8726 15.7478 21.5274 H 205 LEU511205 1.0000 + 3288 HD13 22.5011 14.0829 21.5303 H 205 LEU511205 1.0000 + 3289 CD2 21.9360 13.5660 24.1930 C.3 205 LEU511205 1.0000 + 3290 HD21 20.9088 13.2259 24.0614 H 205 LEU511205 1.0000 + 3291 HD22 22.6191 12.8292 23.7704 H 205 LEU511205 1.0000 + 3292 HD23 22.1449 13.6866 25.2560 H 205 LEU511205 1.0000 + 3293 N 26.2360 16.5090 25.2310 N.am 206 SER512206 1.0000 + 3294 HN 25.5848 17.1682 25.6806 H 206 SER512206 1.0000 + 3295 CA 27.6570 16.8240 25.1400 C.3 206 SER512206 1.0000 + 3296 HA 28.0345 16.6151 24.1390 H 206 SER512206 1.0000 + 3297 C 28.4550 15.9950 26.1310 C.2 206 SER512206 1.0000 + 3298 O 29.6040 15.6270 25.8770 O.2 206 SER512206 1.0000 + 3299 CB 27.9010 18.3190 25.3630 C.3 206 SER512206 1.0000 + 3300 HB1 26.9877 18.7929 25.7228 H 206 SER512206 1.0000 + 3301 HB2 28.2016 18.7882 24.4262 H 206 SER512206 1.0000 + 3302 OG 28.9250 18.5000 26.3210 O.3 206 SER512206 1.0000 + 3303 HG 29.2983 19.4572 26.2486 H 206 SER512206 1.0000 + 3304 N 27.8930 15.6550 27.2790 N.am 207 HIS513207 1.0000 + 3305 HN 26.9626 16.0178 27.5312 H 207 HIS513207 1.0000 + 3306 CA 28.6120 14.7530 28.1910 C.3 207 HIS513207 1.0000 + 3307 HA 29.6378 15.0708 28.3774 H 207 HIS513207 1.0000 + 3308 C 28.7050 13.3280 27.6600 C.2 207 HIS513207 1.0000 + 3309 O 29.6640 12.5900 27.8950 O.2 207 HIS513207 1.0000 + 3310 CB 27.9000 14.7820 29.5520 C.3 207 HIS513207 1.0000 + 3311 HB1 28.3487 14.1004 30.2746 H 207 HIS513207 1.0000 + 3312 HB2 26.8493 14.5004 29.4817 H 207 HIS513207 1.0000 + 3313 CG 27.9260 16.1380 30.1870 C.ar 207 HIS513207 1.0000 + 3314 ND1 26.8000 16.9100 30.3630 N.ar 207 HIS513207 1.0000 + 3315 CD2 28.9490 16.8660 30.6920 C.ar 207 HIS513207 1.0000 + 3316 HD2 29.9975 16.5699 30.7231 H 207 HIS513207 1.0000 + 3317 CE1 27.1190 18.0490 30.9460 C.ar 207 HIS513207 1.0000 + 3318 HE1 26.4287 18.8512 31.2070 H 207 HIS513207 1.0000 + 3319 NE2 28.4240 18.0460 31.1580 N.ar 207 HIS513207 1.0000 + 3320 HE2 28.9600 18.8058 31.6010 H 207 HIS513207 1.0000 + 3321 N 27.7020 12.8900 26.9150 N.am 208 ILE514208 1.0000 + 3322 HN 26.9327 13.5359 26.6869 H 208 ILE514208 1.0000 + 3323 CA 27.6490 11.5180 26.4040 C.3 208 ILE514208 1.0000 + 3324 HA 27.9000 10.8283 27.2099 H 208 ILE514208 1.0000 + 3325 C 28.6460 11.3730 25.2720 C.2 208 ILE514208 1.0000 + 3326 O 29.3090 10.3610 25.0600 O.2 208 ILE514208 1.0000 + 3327 CB 26.2190 11.1410 25.9600 C.3 208 ILE514208 1.0000 + 3328 HB 25.7227 11.9487 25.4219 H 208 ILE514208 1.0000 + 3329 CG1 25.2560 10.9110 27.1330 C.3 208 ILE514208 1.0000 + 3330 HG11 25.4989 11.6229 27.9218 H 208 ILE514208 1.0000 + 3331 HG12 25.3846 9.8884 27.4878 H 208 ILE514208 1.0000 + 3332 CG2 26.1960 9.9320 25.0320 C.3 208 ILE514208 1.0000 + 3333 HG21 25.1670 9.7095 24.7498 H 208 ILE514208 1.0000 + 3334 HG22 26.7788 10.1493 24.1369 H 208 ILE514208 1.0000 + 3335 HG23 26.6258 9.0715 25.5448 H 208 ILE514208 1.0000 + 3336 CD1 23.8010 11.0960 26.7770 C.3 208 ILE514208 1.0000 + 3337 HD11 23.1851 10.9161 27.6582 H 208 ILE514208 1.0000 + 3338 HD12 23.6396 12.1143 26.4232 H 208 ILE514208 1.0000 + 3339 HD13 23.5260 10.3914 25.9922 H 208 ILE514208 1.0000 + 3340 N 28.7730 12.4620 24.5020 N.am 209 ARG515209 1.0000 + 3341 HN 28.1580 13.2803 24.6163 H 209 ARG515209 1.0000 + 3342 CA 29.8280 12.4300 23.4920 C.3 209 ARG515209 1.0000 + 3343 HA 29.6643 11.5890 22.8181 H 209 ARG515209 1.0000 + 3344 C 31.1810 12.2750 24.1710 C.2 209 ARG515209 1.0000 + 3345 O 32.0840 11.5500 23.7350 O.2 209 ARG515209 1.0000 + 3346 CB 29.7400 13.7040 22.6410 C.3 209 ARG515209 1.0000 + 3347 HB1 29.9166 14.5888 23.2526 H 209 ARG515209 1.0000 + 3348 HB2 28.7539 13.7958 22.1857 H 209 ARG515209 1.0000 + 3349 CG 30.7850 13.6800 21.5200 C.3 209 ARG515209 1.0000 + 3350 HG1 31.6793 13.1756 21.8861 H 209 ARG515209 1.0000 + 3351 HG2 31.0201 14.7065 21.2388 H 209 ARG515209 1.0000 + 3352 CD 30.2050 12.9250 20.3250 C.3 209 ARG515209 1.0000 + 3353 HD1 29.4997 12.1670 20.6656 H 209 ARG515209 1.0000 + 3354 HD2 31.0028 12.4356 19.7663 H 209 ARG515209 1.0000 + 3355 NE 29.5080 13.8490 19.4360 N.pl3 209 ARG515209 1.0000 + 3356 HE 28.7413 14.4084 19.8362 H 209 ARG515209 1.0000 + 3357 CZ 29.7880 14.0220 18.1520 C.cat 209 ARG515209 1.0000 + 3358 NH1 30.7650 13.3110 17.6140 N.pl3 209 ARG515209 1.0000 + 3359 HH11 30.9998 13.4292 16.6181 H 209 ARG515209 1.0000 + 3360 HH12 31.2911 12.6393 18.1910 H 209 ARG515209 1.0000 + 3361 NH2 29.1000 14.8860 17.4230 N.pl3 209 ARG515209 1.0000 + 3362 HH21 29.3254 15.0131 16.4260 H 209 ARG515209 1.0000 + 3363 HH22 28.3390 15.4313 17.8526 H 209 ARG515209 1.0000 + 3364 N 31.3480 12.9690 25.2970 N.am 210 HIS516210 1.0000 + 3365 HN 30.5574 13.5214 25.6586 H 210 HIS516210 1.0000 + 3366 CA 32.6030 12.9780 26.0370 C.3 210 HIS516210 1.0000 + 3367 HA 33.4298 13.3143 25.4113 H 210 HIS516210 1.0000 + 3368 C 32.9520 11.5900 26.5510 C.2 210 HIS516210 1.0000 + 3369 O 34.0750 11.1080 26.4150 O.2 210 HIS516210 1.0000 + 3370 CB 32.5330 13.9780 27.1970 C.3 210 HIS516210 1.0000 + 3371 HB1 31.7749 13.6336 27.9004 H 210 HIS516210 1.0000 + 3372 HB2 32.2656 14.9539 26.7918 H 210 HIS516210 1.0000 + 3373 CG 33.8160 14.1360 27.9530 C.ar 210 HIS516210 1.0000 + 3374 ND1 34.9250 14.7870 27.4780 N.ar 210 HIS516210 1.0000 + 3375 CD2 34.1660 13.7120 29.1930 C.ar 210 HIS516210 1.0000 + 3376 HD2 33.5316 13.1536 29.8813 H 210 HIS516210 1.0000 + 3377 CE1 35.9050 14.7670 28.3700 C.ar 210 HIS516210 1.0000 + 3378 HE1 36.8942 15.2097 28.2533 H 210 HIS516210 1.0000 + 3379 NE2 35.4590 14.1090 29.4300 N.ar 210 HIS516210 1.0000 + 3380 HE2 35.9943 13.9254 30.2906 H 210 HIS516210 1.0000 + 3381 N 31.9660 10.9490 27.1690 N.am 211 MET517211 1.0000 + 3382 HN 31.0530 11.4090 27.2942 H 211 MET517211 1.0000 + 3383 CA 32.1740 9.5940 27.6710 C.3 211 MET517211 1.0000 + 3384 HA 33.0291 9.5419 28.3449 H 211 MET517211 1.0000 + 3385 C 32.4310 8.6120 26.5420 C.2 211 MET517211 1.0000 + 3386 O 33.2420 7.6940 26.6500 O.2 211 MET517211 1.0000 + 3387 CB 30.9480 9.1350 28.4560 C.3 211 MET517211 1.0000 + 3388 HB1 31.1765 8.1662 28.9001 H 211 MET517211 1.0000 + 3389 HB2 30.1128 9.0571 27.7599 H 211 MET517211 1.0000 + 3390 CG 30.5090 10.0520 29.5820 C.3 211 MET517211 1.0000 + 3391 HG1 30.0264 10.9433 29.1810 H 211 MET517211 1.0000 + 3392 HG2 31.3678 10.3623 30.1772 H 211 MET517211 1.0000 + 3393 SD 29.3390 9.2060 30.6640 S.3 211 MET517211 1.0000 + 3394 CE 27.7930 9.5930 29.8470 C.3 211 MET517211 1.0000 + 3395 HE1 26.9678 9.1396 30.3962 H 211 MET517211 1.0000 + 3396 HE2 27.6581 10.6742 29.8168 H 211 MET517211 1.0000 + 3397 HE3 27.8108 9.2010 28.8301 H 211 MET517211 1.0000 + 3398 N 31.7240 8.7570 25.4190 N.am 212 SER518212 1.0000 + 3399 HN 30.9820 9.4681 25.3504 H 212 SER518212 1.0000 + 3400 CA 32.0290 7.8820 24.2900 C.3 212 SER518212 1.0000 + 3401 HA 31.8896 6.8352 24.5600 H 212 SER518212 1.0000 + 3402 C 33.4690 8.0620 23.8370 C.2 212 SER518212 1.0000 + 3403 O 34.1740 7.0850 23.5500 O.2 212 SER518212 1.0000 + 3404 CB 31.0550 8.1640 23.1520 C.3 212 SER518212 1.0000 + 3405 HB1 30.9452 9.2329 22.9690 H 212 SER518212 1.0000 + 3406 HB2 30.0603 7.7721 23.3644 H 212 SER518212 1.0000 + 3407 OG 31.4840 7.5740 21.9320 O.3 212 SER518212 1.0000 + 3408 HG 31.1848 8.1626 21.1415 H 212 SER518212 1.0000 + 3409 N 33.9630 9.2950 23.7540 N.am 213 ASN519213 1.0000 + 3410 HN 33.3953 10.0928 24.0735 H 213 ASN519213 1.0000 + 3411 CA 35.2990 9.5310 23.2160 C.3 213 ASN519213 1.0000 + 3412 HA 35.4280 9.0880 22.2285 H 213 ASN519213 1.0000 + 3413 C 36.3840 8.9450 24.1020 C.2 213 ASN519213 1.0000 + 3414 O 37.3390 8.3460 23.6350 O.2 213 ASN519213 1.0000 + 3415 CB 35.6130 11.0290 23.1240 C.3 213 ASN519213 1.0000 + 3416 HB1 36.6885 11.2054 23.1081 H 213 ASN519213 1.0000 + 3417 HB2 35.2004 11.5706 23.9752 H 213 ASN519213 1.0000 + 3418 CG 35.0270 11.6350 21.8630 C.2 213 ASN519213 1.0000 + 3419 OD1 35.1040 11.0320 20.7940 O.2 213 ASN519213 1.0000 + 3420 ND2 34.4560 12.8170 22.0150 N.am 213 ASN519213 1.0000 + 3421 HD21 34.4301 13.2607 22.9442 H 213 ASN519213 1.0000 + 3422 HD22 34.0369 13.2946 21.2043 H 213 ASN519213 1.0000 + 3423 N 36.1560 9.2170 25.3830 N.am 214 LYS520214 1.0000 + 3424 HN 35.3760 9.8448 25.6245 H 214 LYS520214 1.0000 + 3425 CA 36.9630 8.6640 26.4540 C.3 214 LYS520214 1.0000 + 3426 HA 37.9836 9.0233 26.3224 H 214 LYS520214 1.0000 + 3427 C 36.8990 7.1380 26.3490 C.2 214 LYS520214 1.0000 + 3428 O 37.9230 6.4760 26.4400 O.2 214 LYS520214 1.0000 + 3429 CB 36.4730 9.1200 27.8210 C.3 214 LYS520214 1.0000 + 3430 HB1 37.0681 8.6043 28.5747 H 214 LYS520214 1.0000 + 3431 HB2 35.4191 8.8536 27.9004 H 214 LYS520214 1.0000 + 3432 CG 36.5730 10.6010 28.1240 C.3 214 LYS520214 1.0000 + 3433 HG1 36.5271 10.8189 29.1910 H 214 LYS520214 1.0000 + 3434 HG2 35.7723 11.1818 27.6662 H 214 LYS520214 1.0000 + 3435 CD 37.8670 11.2170 27.6300 C.3 214 LYS520214 1.0000 + 3436 HD1 37.8181 12.3056 27.6044 H 214 LYS520214 1.0000 + 3437 HD2 38.1169 10.8892 26.6209 H 214 LYS520214 1.0000 + 3438 CE 39.0480 10.8510 28.5160 C.3 214 LYS520214 1.0000 + 3439 HE1 39.4856 9.8903 28.2446 H 214 LYS520214 1.0000 + 3440 HE2 38.7688 10.7792 29.5672 H 214 LYS520214 1.0000 + 3441 NZ 40.1480 11.8570 28.4360 N.4 214 LYS520214 1.0000 + 3442 HZ1 40.9231 11.5685 29.0499 H 214 LYS520214 1.0000 + 3443 HZ2 40.4854 11.9210 27.4649 H 214 LYS520214 1.0000 + 3444 HZ3 39.7956 12.7766 28.7378 H 214 LYS520214 1.0000 + 3445 N 35.6860 6.6320 26.1480 N.am 215 GLY521215 1.0000 + 3446 HN 34.8943 7.2797 26.0271 H 215 GLY521215 1.0000 + 3447 CA 35.4320 5.2040 26.0920 C.3 215 GLY521215 1.0000 + 3448 HA1 34.3712 4.9866 25.9672 H 215 GLY521215 1.0000 + 3449 HA2 35.7572 4.6995 27.0019 H 215 GLY521215 1.0000 + 3450 C 36.1580 4.5500 24.9380 C.2 215 GLY521215 1.0000 + 3451 O 36.6410 3.4310 25.0760 O.2 215 GLY521215 1.0000 + 3452 N 36.2230 5.2440 23.8010 N.am 216 MET522216 1.0000 + 3453 HN 35.7966 6.1795 23.7383 H 216 MET522216 1.0000 + 3454 CA 36.9050 4.6650 22.6440 C.3 216 MET522216 1.0000 + 3455 HA 36.5096 3.6586 22.5065 H 216 MET522216 1.0000 + 3456 C 38.4030 4.6440 22.9640 C.2 216 MET522216 1.0000 + 3457 O 39.0970 3.7020 22.5970 O.2 216 MET522216 1.0000 + 3458 CB 36.7320 5.4180 21.3380 C.3 216 MET522216 1.0000 + 3459 HB1 37.5129 5.0716 20.6610 H 216 MET522216 1.0000 + 3460 HB2 36.8357 6.4796 21.5625 H 216 MET522216 1.0000 + 3461 CG 35.4390 5.2770 20.5870 C.3 216 MET522216 1.0000 + 3462 HG1 35.4927 5.8942 19.6902 H 216 MET522216 1.0000 + 3463 HG2 34.6274 5.6119 21.2330 H 216 MET522216 1.0000 + 3464 SD 35.0750 3.5890 20.0740 S.3 216 MET522216 1.0000 + 3465 CE 33.9280 3.9230 18.7350 C.3 216 MET522216 1.0000 + 3466 HE1 33.5963 2.9817 18.2968 H 216 MET522216 1.0000 + 3467 HE2 33.0661 4.4670 19.1214 H 216 MET522216 1.0000 + 3468 HE3 34.4239 4.5234 17.9723 H 216 MET522216 1.0000 + 3469 N 38.8330 5.7160 23.6380 N.am 217 GLU523217 1.0000 + 3470 HN 38.1809 6.4727 23.8891 H 217 GLU523217 1.0000 + 3471 CA 40.2380 5.7960 24.0110 C.3 217 GLU523217 1.0000 + 3472 HA 40.8509 5.8437 23.1109 H 217 GLU523217 1.0000 + 3473 C 40.6220 4.5560 24.8250 C.2 217 GLU523217 1.0000 + 3474 O 41.6100 3.8900 24.5210 O.2 217 GLU523217 1.0000 + 3475 CB 40.5540 7.0400 24.8220 C.3 217 GLU523217 1.0000 + 3476 HB1 41.2146 6.7451 25.6374 H 217 GLU523217 1.0000 + 3477 HB2 39.6122 7.4361 25.2018 H 217 GLU523217 1.0000 + 3478 CG 41.2430 8.1750 24.0880 C.3 217 GLU523217 1.0000 + 3479 HG1 40.4968 8.7671 23.5582 H 217 GLU523217 1.0000 + 3480 HG2 41.9568 7.7624 23.3750 H 217 GLU523217 1.0000 + 3481 CD 41.9740 9.0540 25.0930 C.2 217 GLU523217 1.0000 + 3482 OE1 43.2050 8.9030 25.2280 O.co2 217 GLU523217 1.0000 + 3483 OE2 41.2940 9.8760 25.7390 O.co2 217 GLU523217 1.0000 + 3484 N 39.8220 4.2950 25.8490 N.am 218 HIS524218 1.0000 + 3485 HN 39.0081 4.9056 26.0091 H 218 HIS524218 1.0000 + 3486 CA 40.0500 3.1710 26.7630 C.3 218 HIS524218 1.0000 + 3487 HA 41.0568 3.2389 27.1752 H 218 HIS524218 1.0000 + 3488 C 39.8980 1.8620 26.0010 C.2 218 HIS524218 1.0000 + 3489 O 40.7360 0.9610 26.1420 O.2 218 HIS524218 1.0000 + 3490 CB 39.1280 3.3050 27.9700 C.3 218 HIS524218 1.0000 + 3491 HB1 38.1052 3.2897 27.5935 H 218 HIS524218 1.0000 + 3492 HB2 39.3681 4.2530 28.4513 H 218 HIS524218 1.0000 + 3493 CG 39.1800 2.2760 29.0490 C.ar 218 HIS524218 1.0000 + 3494 ND1 38.2370 1.2740 29.1600 N.ar 218 HIS524218 1.0000 + 3495 HD1 37.4383 1.1473 28.5221 H 218 HIS524218 1.0000 + 3496 CD2 40.0300 2.0760 30.0840 C.ar 218 HIS524218 1.0000 + 3497 HD2 40.9035 2.6810 30.3269 H 218 HIS524218 1.0000 + 3498 CE1 38.5000 0.5020 30.1950 C.ar 218 HIS524218 1.0000 + 3499 HE1 37.9228 -0.3652 30.5157 H 218 HIS524218 1.0000 + 3500 NE2 39.5900 0.9710 30.7720 N.ar 218 HIS524218 1.0000 + 3501 HE2 40.0406 0.5713 31.6075 H 218 HIS524218 1.0000 + 3502 N 38.8650 1.7170 25.1730 N.am 219 LEU525219 1.0000 + 3503 HN 38.1523 2.4543 25.0763 H 219 LEU525219 1.0000 + 3504 CA 38.7770 0.4740 24.4050 C.3 219 LEU525219 1.0000 + 3505 HA 38.7055 -0.3852 25.0719 H 219 LEU525219 1.0000 + 3506 C 40.0090 0.2970 23.5280 C.2 219 LEU525219 1.0000 + 3507 O 40.5720 -0.7990 23.4780 O.2 219 LEU525219 1.0000 + 3508 CB 37.5210 0.3930 23.5360 C.3 219 LEU525219 1.0000 + 3509 HB1 37.5537 -0.5456 22.9828 H 219 LEU525219 1.0000 + 3510 HB2 37.5258 1.2450 22.8562 H 219 LEU525219 1.0000 + 3511 CG 36.1950 0.4260 24.2950 C.3 219 LEU525219 1.0000 + 3512 HG 36.0119 1.4081 24.7310 H 219 LEU525219 1.0000 + 3513 CD1 35.0280 0.1070 23.3810 C.3 219 LEU525219 1.0000 + 3514 HD11 34.0998 0.1387 23.9515 H 219 LEU525219 1.0000 + 3515 HD12 34.9847 0.8412 22.5765 H 219 LEU525219 1.0000 + 3516 HD13 35.1594 -0.8885 22.9570 H 219 LEU525219 1.0000 + 3517 CD2 36.2490 -0.5510 25.4570 C.3 219 LEU525219 1.0000 + 3518 HD21 35.3027 -0.5264 25.9974 H 219 LEU525219 1.0000 + 3519 HD22 36.4243 -1.5578 25.0780 H 219 LEU525219 1.0000 + 3520 HD23 37.0588 -0.2708 26.1306 H 219 LEU525219 1.0000 + 3521 N 40.4370 1.3590 22.8460 N.am 220 TYR526220 1.0000 + 3522 HN 39.9428 2.2600 22.9160 H 220 TYR526220 1.0000 + 3523 CA 41.6220 1.2240 21.9950 C.3 220 TYR526220 1.0000 + 3524 HA 41.5179 0.3279 21.3832 H 220 TYR526220 1.0000 + 3525 C 42.8650 1.1090 22.8870 C.2 220 TYR526220 1.0000 + 3526 O 43.5430 2.1090 23.1080 O.2 220 TYR526220 1.0000 + 3527 CB 41.7810 2.3750 21.0120 C.3 220 TYR526220 1.0000 + 3528 HB1 42.7331 2.2504 20.4961 H 220 TYR526220 1.0000 + 3529 HB2 41.7656 3.3071 21.5768 H 220 TYR526220 1.0000 + 3530 CG 40.7040 2.4700 19.9550 C.ar 220 TYR526220 1.0000 + 3531 CD1 40.8130 3.3840 18.9140 C.ar 220 TYR526220 1.0000 + 3532 HD1 41.6843 4.0369 18.8631 H 220 TYR526220 1.0000 + 3533 CD2 39.5760 1.6590 19.9910 C.ar 220 TYR526220 1.0000 + 3534 HD2 39.4657 0.9368 20.8000 H 220 TYR526220 1.0000 + 3535 CE1 39.8350 3.4790 17.9420 C.ar 220 TYR526220 1.0000 + 3536 HE1 39.9383 4.2007 17.1317 H 220 TYR526220 1.0000 + 3537 CE2 38.5920 1.7460 19.0270 C.ar 220 TYR526220 1.0000 + 3538 HE2 37.7152 1.1003 19.0759 H 220 TYR526220 1.0000 + 3539 CZ 38.7290 2.6590 18.0000 C.ar 220 TYR526220 1.0000 + 3540 OH 37.7560 2.7550 17.0340 O.3 220 TYR526220 1.0000 + 3541 HH 37.5804 3.7472 16.8203 H 220 TYR526220 1.0000 + 3542 N 43.0980 -0.0980 23.3560 N.am 221 SER527221 1.0000 + 3543 HN 42.4088 -0.8191 23.0994 H 221 SER527221 1.0000 + 3544 CA 44.1960 -0.5440 24.1850 C.3 221 SER527221 1.0000 + 3545 HA 45.0270 -0.8723 23.5607 H 221 SER527221 1.0000 + 3546 C 43.7490 -1.7100 25.0650 C.2 221 SER527221 1.0000 + 3547 O 44.1050 -1.7320 26.2410 O.2 221 SER527221 1.0000 + 3548 CB 44.7350 0.5540 25.0980 C.3 221 SER527221 1.0000 + 3549 HB1 45.4616 1.1705 24.5688 H 221 SER527221 1.0000 + 3550 HB2 45.2239 0.1213 25.9708 H 221 SER527221 1.0000 + 3551 OG 43.6830 1.3910 25.5460 O.3 221 SER527221 1.0000 + 3552 HG 44.0012 2.3706 25.5506 H 221 SER527221 1.0000 + 3553 N 42.9750 -2.6210 24.4910 N.am 222 MET528222 1.0000 + 3554 HN 42.7378 -2.5118 23.4946 H 222 MET528222 1.0000 + 3555 CA 42.4470 -3.7700 25.2140 C.3 222 MET528222 1.0000 + 3556 HA 43.1504 -4.1240 25.9676 H 222 MET528222 1.0000 + 3557 C 42.1590 -4.9370 24.2730 C.2 222 MET528222 1.0000 + 3558 O 42.5300 -4.8910 23.0940 O.2 222 MET528222 1.0000 + 3559 CB 41.1840 -3.3770 25.9900 C.3 222 MET528222 1.0000 + 3560 HB1 40.5807 -4.2277 26.3070 H 222 MET528222 1.0000 + 3561 HB2 40.4998 -2.7445 25.4243 H 222 MET528222 1.0000 + 3562 CG 41.4650 -2.6040 27.2630 C.3 222 MET528222 1.0000 + 3563 HG1 41.8651 -1.6289 26.9852 H 222 MET528222 1.0000 + 3564 HG2 42.1910 -3.1685 27.8481 H 222 MET528222 1.0000 + 3565 SD 40.0320 -2.3160 28.3180 S.3 222 MET528222 1.0000 + 3566 CE 40.8750 -1.7480 29.8000 C.3 222 MET528222 1.0000 + 3567 HE1 40.1399 -1.5194 30.5717 H 222 MET528222 1.0000 + 3568 HE2 41.5465 -2.5283 30.1583 H 222 MET528222 1.0000 + 3569 HE3 41.4506 -0.8513 29.5702 H 222 MET528222 1.0000 + 3570 N 41.5060 -5.9600 24.8110 N.am 223 LYS529223 1.0000 + 3571 HN 41.2030 -5.8707 25.7914 H 223 LYS529223 1.0000 + 3572 CA 41.1870 -7.1990 24.1160 C.3 223 LYS529223 1.0000 + 3573 HA 41.9728 -7.5014 23.4237 H 223 LYS529223 1.0000 + 3574 C 39.9020 -7.0910 23.2900 C.2 223 LYS529223 1.0000 + 3575 O 39.9010 -7.5550 22.1440 O.2 223 LYS529223 1.0000 + 3576 CB 41.0770 -8.3480 25.1210 C.3 223 LYS529223 1.0000 + 3577 HB1 41.3028 -7.9487 26.1098 H 223 LYS529223 1.0000 + 3578 HB2 41.7981 -9.1130 24.8330 H 223 LYS529223 1.0000 + 3579 CG 39.7260 -9.0280 25.2170 C.3 223 LYS529223 1.0000 + 3580 HG1 39.8196 -10.0696 25.5244 H 223 LYS529223 1.0000 + 3581 HG2 39.2021 -9.0212 24.2612 H 223 LYS529223 1.0000 + 3582 CD 38.8200 -8.3410 26.2300 C.3 223 LYS529223 1.0000 + 3583 HD1 38.6445 -7.2980 25.9663 H 223 LYS529223 1.0000 + 3584 HD2 39.2551 -8.3552 27.2293 H 223 LYS529223 1.0000 + 3585 CE 37.4630 -9.0220 26.3160 C.3 223 LYS529223 1.0000 + 3586 HE1 37.1358 -9.3757 25.3383 H 223 LYS529223 1.0000 + 3587 HE2 36.7013 -8.3390 26.6920 H 223 LYS529223 1.0000 + 3588 NZ 37.5060 -10.2040 27.2350 N.4 223 LYS529223 1.0000 + 3589 HZ1 36.5754 -10.6439 27.2732 H 223 LYS529223 1.0000 + 3590 HZ2 38.1937 -10.8865 26.8854 H 223 LYS529223 1.0000 + 3591 HZ3 37.7785 -9.8956 28.1792 H 223 LYS529223 1.0000 + 3592 N 38.8730 -6.4990 23.8620 N.am 224 CYS530224 1.0000 + 3593 HN 39.0408 -6.1268 24.8076 H 224 CYS530224 1.0000 + 3594 CA 37.5360 -6.3020 23.3370 C.3 224 CYS530224 1.0000 + 3595 HA 36.8585 -7.1209 23.5786 H 224 CYS530224 1.0000 + 3596 C 37.5050 -6.1750 21.8190 C.2 224 CYS530224 1.0000 + 3597 HC 38.4409 -6.0964 21.2658 H 224 CYS530224 1.0000 + 3598 O 36.4280 -6.1600 21.2060 O.2 224 CYS530224 1.0000 + 3599 CB 36.9200 -5.0350 23.9610 C.3 224 CYS530224 1.0000 + 3600 HB1 36.6539 -5.1872 25.0070 H 224 CYS530224 1.0000 + 3601 HB2 36.0120 -4.7284 23.4417 H 224 CYS530224 1.0000 + 3602 SG 38.0650 -3.6310 23.9030 S.3 224 CYS530224 1.0000 + 3603 HG 39.3259 -4.0789 23.9737 H 224 CYS530224 1.0000 + 3604 N 41.2870 -6.9540 12.6280 N.3 225 VAL533225 1.0000 + 3605 HN1 41.9942 -7.0280 11.8828 H 225 VAL533225 1.0000 + 3606 HN2 41.1167 -5.9609 12.8416 H 225 VAL533225 1.0000 + 3607 CA 40.0420 -7.5780 12.1830 C.3 225 VAL533225 1.0000 + 3608 HA 40.2392 -8.5006 11.6370 H 225 VAL533225 1.0000 + 3609 C 39.2600 -6.6460 11.2590 C.2 225 VAL533225 1.0000 + 3610 O 39.7090 -5.5260 10.9960 O.2 225 VAL533225 1.0000 + 3611 CB 39.1680 -7.9790 13.3870 C.3 225 VAL533225 1.0000 + 3612 HB 38.5402 -8.8327 13.1317 H 225 VAL533225 1.0000 + 3613 CG1 40.0440 -8.3580 14.5740 C.3 225 VAL533225 1.0000 + 3614 HG11 39.4128 -8.6390 15.4170 H 225 VAL533225 1.0000 + 3615 HG12 40.6815 -9.1992 14.3018 H 225 VAL533225 1.0000 + 3616 HG13 40.6656 -7.5074 14.8538 H 225 VAL533225 1.0000 + 3617 CG2 38.2160 -6.8520 13.7540 C.3 225 VAL533225 1.0000 + 3618 HG21 37.6069 -7.1532 14.6062 H 225 VAL533225 1.0000 + 3619 HG22 38.7889 -5.9619 14.0141 H 225 VAL533225 1.0000 + 3620 HG23 37.5686 -6.6316 12.9052 H 225 VAL533225 1.0000 + 3621 N 38.1130 -7.1070 10.7750 N.am 226 VAL534226 1.0000 + 3622 HN 37.8175 -8.0611 11.0264 H 226 VAL534226 1.0000 + 3623 CA 37.2540 -6.3140 9.9000 C.3 226 VAL534226 1.0000 + 3624 HA 37.6921 -6.2066 8.9077 H 226 VAL534226 1.0000 + 3625 C 37.0350 -4.9160 10.4610 C.2 226 VAL534226 1.0000 + 3626 O 36.7990 -4.7210 11.6530 O.2 226 VAL534226 1.0000 + 3627 CB 35.8920 -6.9980 9.6850 C.3 226 VAL534226 1.0000 + 3628 HB 35.3391 -7.0974 10.6191 H 226 VAL534226 1.0000 + 3629 CG1 35.0150 -6.2130 8.7270 C.3 226 VAL534226 1.0000 + 3630 HG11 34.0625 -6.7276 8.6009 H 226 VAL534226 1.0000 + 3631 HG12 34.8380 -5.2157 9.1298 H 226 VAL534226 1.0000 + 3632 HG13 35.5137 -6.1310 7.7613 H 226 VAL534226 1.0000 + 3633 CG2 36.0900 -8.4170 9.1660 C.3 226 VAL534226 1.0000 + 3634 HG21 35.1188 -8.8892 9.0183 H 226 VAL534226 1.0000 + 3635 HG22 36.6263 -8.3860 8.2176 H 226 VAL534226 1.0000 + 3636 HG23 36.6667 -8.9922 9.8903 H 226 VAL534226 1.0000 + 3637 N 37.1220 -3.8980 9.6100 N.am 227 PRO535227 1.0000 + 3638 CA 36.7550 -2.5540 10.0630 C.3 227 PRO535227 1.0000 + 3639 HA 37.4442 -2.2284 10.8421 H 227 PRO535227 1.0000 + 3640 C 35.3360 -2.5700 10.6210 C.2 227 PRO535227 1.0000 + 3641 O 34.5200 -3.3780 10.1710 O.2 227 PRO535227 1.0000 + 3642 CB 36.8080 -1.7180 8.7850 C.3 227 PRO535227 1.0000 + 3643 HB1 37.1984 -0.7484 9.0942 H 227 PRO535227 1.0000 + 3644 HB2 35.7789 -1.6766 8.4282 H 227 PRO535227 1.0000 + 3645 CG 37.7220 -2.4600 7.8710 C.3 227 PRO535227 1.0000 + 3646 HG1 38.7265 -2.0892 8.0750 H 227 PRO535227 1.0000 + 3647 HG2 37.3925 -2.2323 6.8572 H 227 PRO535227 1.0000 + 3648 CD 37.5680 -3.9180 8.2110 C.3 227 PRO535227 1.0000 + 3649 HD1 36.8310 -4.4057 7.5729 H 227 PRO535227 1.0000 + 3650 HD2 38.5093 -4.4580 8.1087 H 227 PRO535227 1.0000 + 3651 N 35.0350 -1.7000 11.5760 N.am 228 LEU536228 1.0000 + 3652 HN 35.7708 -1.1066 11.9852 H 228 LEU536228 1.0000 + 3653 CA 33.6630 -1.5870 12.0430 C.3 228 LEU536228 1.0000 + 3654 HA 33.3007 -2.5475 12.4094 H 228 LEU536228 1.0000 + 3655 C 32.7450 -1.1300 10.9130 C.2 228 LEU536228 1.0000 + 3656 O 31.5520 -1.4410 10.8890 O.2 228 LEU536228 1.0000 + 3657 CB 33.5540 -0.5900 13.2080 C.3 228 LEU536228 1.0000 + 3658 HB1 33.9146 0.4039 12.9431 H 228 LEU536228 1.0000 + 3659 HB2 34.1303 -0.9005 14.0795 H 228 LEU536228 1.0000 + 3660 CG 32.1060 -0.4060 13.6940 C.3 228 LEU536228 1.0000 + 3661 HG 31.5012 0.0200 12.8935 H 228 LEU536228 1.0000 + 3662 CD1 31.5250 -1.7550 14.0990 C.3 228 LEU536228 1.0000 + 3663 HD11 30.4993 -1.6210 14.4427 H 228 LEU536228 1.0000 + 3664 HD12 31.5353 -2.4278 13.2415 H 228 LEU536228 1.0000 + 3665 HD13 32.1241 -2.1826 14.9029 H 228 LEU536228 1.0000 + 3666 CD2 32.0220 0.6010 14.8230 C.3 228 LEU536228 1.0000 + 3667 HD21 30.9846 0.7055 15.1409 H 228 LEU536228 1.0000 + 3668 HD22 32.6260 0.2574 15.6628 H 228 LEU536228 1.0000 + 3669 HD23 32.3948 1.5656 14.4786 H 228 LEU536228 1.0000 + 3670 N 33.3020 -0.3720 9.9660 N.am 229 TYR537229 1.0000 + 3671 HN 34.2967 -0.1159 10.0420 H 229 TYR537229 1.0000 + 3672 CA 32.5240 0.1000 8.8240 C.3 229 TYR537229 1.0000 + 3673 HA 31.7061 0.7337 9.1669 H 229 TYR537229 1.0000 + 3674 C 31.9430 -1.0910 8.0590 C.2 229 TYR537229 1.0000 + 3675 O 30.7360 -1.2220 7.8600 O.2 229 TYR537229 1.0000 + 3676 CB 33.3930 0.9610 7.9070 C.3 229 TYR537229 1.0000 + 3677 HB1 34.1394 0.3123 7.4487 H 229 TYR537229 1.0000 + 3678 HB2 33.8649 1.7295 8.5192 H 229 TYR537229 1.0000 + 3679 CG 32.6750 1.6710 6.7830 C.ar 229 TYR537229 1.0000 + 3680 CD1 32.3770 1.0310 5.5880 C.ar 229 TYR537229 1.0000 + 3681 HD1 32.6723 -0.0114 5.4687 H 229 TYR537229 1.0000 + 3682 CD2 32.2880 3.0010 6.9020 C.ar 229 TYR537229 1.0000 + 3683 HD2 32.5033 3.5464 7.8209 H 229 TYR537229 1.0000 + 3684 CE1 31.7260 1.6520 4.5470 C.ar 229 TYR537229 1.0000 + 3685 HE1 31.5107 1.1112 3.6254 H 229 TYR537229 1.0000 + 3686 CE2 31.6320 3.6380 5.8640 C.ar 229 TYR537229 1.0000 + 3687 HE2 31.3336 4.6804 5.9751 H 229 TYR537229 1.0000 + 3688 CZ 31.3510 2.9710 4.6910 C.ar 229 TYR537229 1.0000 + 3689 OH 30.7010 3.5950 3.6530 O.3 229 TYR537229 1.0000 + 3690 HH 30.9792 4.5862 3.6193 H 229 TYR537229 1.0000 + 3691 N 32.8680 -1.9410 7.6230 N.am 230 ASP538230 1.0000 + 3692 HN 33.8526 -1.7543 7.8609 H 230 ASP538230 1.0000 + 3693 CA 32.5630 -3.1220 6.8270 C.3 230 ASP538230 1.0000 + 3694 HA 32.1713 -2.8368 5.8506 H 230 ASP538230 1.0000 + 3695 C 31.5250 -3.9830 7.5230 C.2 230 ASP538230 1.0000 + 3696 O 30.6140 -4.5140 6.8960 O.2 230 ASP538230 1.0000 + 3697 CB 33.8480 -3.9110 6.5600 C.3 230 ASP538230 1.0000 + 3698 HB1 33.7032 -4.6741 5.7953 H 230 ASP538230 1.0000 + 3699 HB2 34.2042 -4.4200 7.4556 H 230 ASP538230 1.0000 + 3700 CG 34.9750 -3.0100 6.0820 C.2 230 ASP538230 1.0000 + 3701 OD1 34.7520 -1.7890 5.9330 O.co2 230 ASP538230 1.0000 + 3702 OD2 36.0940 -3.5160 5.8470 O.co2 230 ASP538230 1.0000 + 3703 N 31.6620 -4.1160 8.8400 N.am 231 LEU539231 1.0000 + 3704 HN 32.4179 -3.6233 9.3367 H 231 LEU539231 1.0000 + 3705 CA 30.7260 -4.9710 9.5770 C.3 231 LEU539231 1.0000 + 3706 HA 30.5868 -5.9310 9.0800 H 231 LEU539231 1.0000 + 3707 C 29.3550 -4.3190 9.7010 C.2 231 LEU539231 1.0000 + 3708 O 28.3270 -4.9990 9.6990 O.2 231 LEU539231 1.0000 + 3709 CB 31.3050 -5.3030 10.9520 C.3 231 LEU539231 1.0000 + 3710 HB1 31.6428 -4.3737 11.4106 H 231 LEU539231 1.0000 + 3711 HB2 32.1389 -5.9907 10.8113 H 231 LEU539231 1.0000 + 3712 CG 30.3280 -5.9630 11.9240 C.3 231 LEU539231 1.0000 + 3713 HG 29.3086 -5.6160 11.7549 H 231 LEU539231 1.0000 + 3714 CD1 30.3330 -7.4740 11.7670 C.3 231 LEU539231 1.0000 + 3715 HD11 29.6282 -7.9154 12.4717 H 231 LEU539231 1.0000 + 3716 HD12 30.0407 -7.7351 10.7499 H 231 LEU539231 1.0000 + 3717 HD13 31.3337 -7.8572 11.9666 H 231 LEU539231 1.0000 + 3718 CD2 30.6600 -5.5530 13.3540 C.3 231 LEU539231 1.0000 + 3719 HD21 29.9591 -6.0276 14.0406 H 231 LEU539231 1.0000 + 3720 HD22 31.6750 -5.8679 13.5965 H 231 LEU539231 1.0000 + 3721 HD23 30.5838 -4.4698 13.4490 H 231 LEU539231 1.0000 + 3722 N 29.3470 -2.9930 9.7950 N.am 232 LEU540232 1.0000 + 3723 HN 30.2466 -2.4927 9.8317 H 232 LEU540232 1.0000 + 3724 CA 28.1110 -2.2210 9.8480 C.3 232 LEU540232 1.0000 + 3725 HA 27.4619 -2.6259 10.6245 H 232 LEU540232 1.0000 + 3726 C 27.4030 -2.3020 8.5030 C.2 232 LEU540232 1.0000 + 3727 O 26.1940 -2.4850 8.4370 O.2 232 LEU540232 1.0000 + 3728 CB 28.4220 -0.7710 10.2070 C.3 232 LEU540232 1.0000 + 3729 HB1 27.5372 -0.1737 9.9868 H 232 LEU540232 1.0000 + 3730 HB2 29.2699 -0.4501 9.6019 H 232 LEU540232 1.0000 + 3731 CG 28.7870 -0.5120 11.6640 C.3 232 LEU540232 1.0000 + 3732 HG 29.5123 -1.2317 12.0435 H 232 LEU540232 1.0000 + 3733 CD1 29.3990 0.8680 11.8710 C.3 232 LEU540232 1.0000 + 3734 HD11 29.6416 1.0041 12.9249 H 232 LEU540232 1.0000 + 3735 HD12 30.3075 0.9562 11.2752 H 232 LEU540232 1.0000 + 3736 HD13 28.6863 1.6323 11.5612 H 232 LEU540232 1.0000 + 3737 CD2 27.5450 -0.6770 12.5310 C.3 232 LEU540232 1.0000 + 3738 HD21 27.8022 -0.4925 13.5740 H 232 LEU540232 1.0000 + 3739 HD22 26.7827 0.0347 12.2139 H 232 LEU540232 1.0000 + 3740 HD23 27.1602 -1.6914 12.4262 H 232 LEU540232 1.0000 + 3741 N 28.2080 -2.1750 7.4570 N.am 233 LEU541233 1.0000 + 3742 HN 29.2038 -1.9765 7.6298 H 233 LEU541233 1.0000 + 3743 CA 27.7600 -2.3010 6.0770 C.3 233 LEU541233 1.0000 + 3744 HA 27.0688 -1.5033 5.8048 H 233 LEU541233 1.0000 + 3745 C 27.0410 -3.6220 5.8390 C.2 233 LEU541233 1.0000 + 3746 O 25.8860 -3.6580 5.4080 O.2 233 LEU541233 1.0000 + 3747 CB 28.9540 -2.1930 5.1320 C.3 233 LEU541233 1.0000 + 3748 HB1 29.5387 -3.1074 5.2331 H 233 LEU541233 1.0000 + 3749 HB2 29.5329 -1.3189 5.4302 H 233 LEU541233 1.0000 + 3750 CG 28.6480 -2.0300 3.6440 C.3 233 LEU541233 1.0000 + 3751 HG 27.8591 -2.7105 3.3235 H 233 LEU541233 1.0000 + 3752 CD1 28.1900 -0.6170 3.3240 C.3 233 LEU541233 1.0000 + 3753 HD11 27.9806 -0.5351 2.2574 H 233 LEU541233 1.0000 + 3754 HD12 27.2861 -0.3906 3.8896 H 233 LEU541233 1.0000 + 3755 HD13 28.9742 0.0898 3.5951 H 233 LEU541233 1.0000 + 3756 CD2 29.8820 -2.3910 2.8240 C.3 233 LEU541233 1.0000 + 3757 HD21 29.6609 -2.2739 1.7631 H 233 LEU541233 1.0000 + 3758 HD22 30.7062 -1.7324 3.0977 H 233 LEU541233 1.0000 + 3759 HD23 30.1621 -3.4252 3.0242 H 233 LEU541233 1.0000 + 3760 N 27.7310 -4.7230 6.1320 N.am 234 GLU542234 1.0000 + 3761 HN 28.7092 -4.6475 6.4456 H 234 GLU542234 1.0000 + 3762 CA 27.1050 -6.0370 6.0100 C.3 234 GLU542234 1.0000 + 3763 HA 26.9012 -6.2900 4.9695 H 234 GLU542234 1.0000 + 3764 C 25.7780 -6.0990 6.7580 C.2 234 GLU542234 1.0000 + 3765 O 24.7970 -6.6120 6.2120 O.2 234 GLU542234 1.0000 + 3766 CB 28.0370 -7.1370 6.5270 C.3 234 GLU542234 1.0000 + 3767 HB1 28.7474 -6.7604 7.2629 H 234 GLU542234 1.0000 + 3768 HB2 28.6240 -7.5871 5.7264 H 234 GLU542234 1.0000 + 3769 CG 27.2680 -8.2730 7.2000 C.3 234 GLU542234 1.0000 + 3770 HG1 26.4452 -7.8718 7.7917 H 234 GLU542234 1.0000 + 3771 HG2 27.9293 -8.8375 7.8574 H 234 GLU542234 1.0000 + 3772 CD 26.7020 -9.2140 6.1540 C.2 234 GLU542234 1.0000 + 3773 OE1 27.1010 -9.0640 4.9780 O.co2 234 GLU542234 1.0000 + 3774 OE2 25.8790 -10.0820 6.5100 O.co2 234 GLU542234 1.0000 + 3775 N 25.7340 -5.5680 7.9840 N.am 235 MET543235 1.0000 + 3776 HN 26.5757 -5.1278 8.3824 H 235 MET543235 1.0000 + 3777 CA 24.5000 -5.6090 8.7600 C.3 235 MET543235 1.0000 + 3778 HA 24.0816 -6.6106 8.8597 H 235 MET543235 1.0000 + 3779 C 23.3780 -4.7670 8.1640 C.2 235 MET543235 1.0000 + 3780 O 22.2230 -5.1960 8.2080 O.2 235 MET543235 1.0000 + 3781 CB 24.7100 -5.1200 10.1960 C.3 235 MET543235 1.0000 + 3782 HB1 23.7621 -4.7308 10.5678 H 235 MET543235 1.0000 + 3783 HB2 25.4677 -4.3365 10.1841 H 235 MET543235 1.0000 + 3784 CG 25.1750 -6.1970 11.1560 C.3 235 MET543235 1.0000 + 3785 HG1 26.1015 -6.6747 10.8374 H 235 MET543235 1.0000 + 3786 HG2 24.4478 -7.0005 11.2729 H 235 MET543235 1.0000 + 3787 SD 25.4870 -5.5660 12.8130 S.3 235 MET543235 1.0000 + 3788 CE 27.2310 -5.1980 12.7270 C.3 235 MET543235 1.0000 + 3789 HE1 27.5661 -4.7983 13.6841 H 235 MET543235 1.0000 + 3790 HE2 27.7844 -6.1094 12.5006 H 235 MET543235 1.0000 + 3791 HE3 27.4092 -4.4613 11.9437 H 235 MET543235 1.0000 + 3792 N 23.7120 -3.5920 7.6340 N.am 236 LEU544236 1.0000 + 3793 HN 24.7052 -3.3246 7.5795 H 236 LEU544236 1.0000 + 3794 CA 22.6910 -2.6750 7.1280 C.3 236 LEU544236 1.0000 + 3795 HA 21.7690 -2.7063 7.7085 H 236 LEU544236 1.0000 + 3796 C 22.2880 -2.9740 5.6870 C.2 236 LEU544236 1.0000 + 3797 O 21.1050 -2.9780 5.3340 O.2 236 LEU544236 1.0000 + 3798 CB 23.1930 -1.2350 7.2640 C.3 236 LEU544236 1.0000 + 3799 HB1 22.6502 -0.6283 6.5392 H 236 LEU544236 1.0000 + 3800 HB2 24.2629 -1.2392 7.0558 H 236 LEU544236 1.0000 + 3801 CG 23.0160 -0.5540 8.6220 C.3 236 LEU544236 1.0000 + 3802 HG 23.2596 -1.2504 9.4244 H 236 LEU544236 1.0000 + 3803 CD1 23.9350 0.6550 8.7240 C.3 236 LEU544236 1.0000 + 3804 HD11 23.8013 1.1328 9.6945 H 236 LEU544236 1.0000 + 3805 HD12 24.9713 0.3344 8.6171 H 236 LEU544236 1.0000 + 3806 HD13 23.6915 1.3649 7.9335 H 236 LEU544236 1.0000 + 3807 CD2 21.5770 -0.1310 8.8400 C.3 236 LEU544236 1.0000 + 3808 HD21 21.4827 0.3500 9.8136 H 236 LEU544236 1.0000 + 3809 HD22 21.2814 0.5696 8.0590 H 236 LEU544236 1.0000 + 3810 HD23 20.9306 -1.0079 8.8044 H 236 LEU544236 1.0000 + 3811 N 23.2630 -3.2310 4.8260 N.am 237 ASP545237 1.0000 + 3812 HN 24.2382 -3.1884 5.1548 H 237 ASP545237 1.0000 + 3813 CA 23.0080 -3.5710 3.4340 C.3 237 ASP545237 1.0000 + 3814 HA 22.3363 -2.8437 2.9779 H 237 ASP545237 1.0000 + 3815 C 22.3660 -4.9470 3.3270 C.2 237 ASP545237 1.0000 + 3816 O 22.9720 -5.9100 2.8520 O.2 237 ASP545237 1.0000 + 3817 CB 24.3090 -3.5460 2.6260 C.3 237 ASP545237 1.0000 + 3818 HB1 25.0397 -4.2709 2.9848 H 237 ASP545237 1.0000 + 3819 HB2 24.8042 -2.5755 2.6582 H 237 ASP545237 1.0000 + 3820 CG 24.0900 -3.8600 1.1540 C.2 237 ASP545237 1.0000 + 3821 OD1 22.9310 -3.7040 0.7100 O.co2 237 ASP545237 1.0000 + 3822 OD2 25.0690 -4.2500 0.4750 O.co2 237 ASP545237 1.0000 + 3823 N 21.1170 -5.0540 3.7740 N.am 238 ALA546238 1.0000 + 3824 HN 20.6191 -4.2406 4.1631 H 238 ALA546238 1.0000 + 3825 CA 20.4760 -6.3650 3.6940 C.3 238 ALA546238 1.0000 + 3826 HA 21.2040 -7.1744 3.6398 H 238 ALA546238 1.0000 + 3827 C 19.5840 -6.4930 2.4630 C.2 238 ALA546238 1.0000 + 3828 O 19.1000 -5.5470 1.8440 O.2 238 ALA546238 1.0000 + 3829 CB 19.7010 -6.6260 4.9750 C.3 238 ALA546238 1.0000 + 3830 HB1 19.2219 -7.6034 4.9177 H 238 ALA546238 1.0000 + 3831 HB2 20.3842 -6.6060 5.8241 H 238 ALA546238 1.0000 + 3832 HB3 18.9402 -5.8560 5.1033 H 238 ALA546238 1.0000 + 3833 N 19.3560 -7.7460 2.0730 N.am 239 HIS547239 1.0000 + 3834 HN 19.8245 -8.5225 2.5612 H 239 HIS547239 1.0000 + 3835 CA 18.4520 -8.0350 0.9640 C.3 239 HIS547239 1.0000 + 3836 HA 18.6262 -7.3090 0.1698 H 239 HIS547239 1.0000 + 3837 C 17.0190 -7.9330 1.4600 C.2 239 HIS547239 1.0000 + 3838 O 16.7740 -7.6830 2.6450 O.2 239 HIS547239 1.0000 + 3839 CB 18.7630 -9.4110 0.3950 C.3 239 HIS547239 1.0000 + 3840 HB1 19.7586 -9.3724 -0.0471 H 239 HIS547239 1.0000 + 3841 HB2 18.0088 -9.6392 -0.3581 H 239 HIS547239 1.0000 + 3842 CG 18.7620 -10.5430 1.3720 C.ar 239 HIS547239 1.0000 + 3843 ND1 19.8930 -11.2900 1.6290 N.ar 239 HIS547239 1.0000 + 3844 CD2 17.7880 -11.0640 2.1560 C.ar 239 HIS547239 1.0000 + 3845 HD2 16.7552 -10.7214 2.2192 H 239 HIS547239 1.0000 + 3846 CE1 19.6220 -12.2240 2.5230 C.ar 239 HIS547239 1.0000 + 3847 HE1 20.3233 -12.9603 2.9155 H 239 HIS547239 1.0000 + 3848 NE2 18.3470 -12.1060 2.8570 N.ar 239 HIS547239 1.0000 + 3849 HE2 17.8513 -12.7014 3.5357 H 239 HIS547239 1.0000 + 3850 N 16.0210 -8.1160 0.5990 N.am 240 ARG548240 1.0000 + 3851 HN 16.2057 -8.3152 -0.3945 H 240 ARG548240 1.0000 + 3852 CA 14.6510 -8.0250 1.1100 C.3 240 ARG548240 1.0000 + 3853 HA 14.6754 -7.7592 2.1668 H 240 ARG548240 1.0000 + 3854 C 13.9560 -9.3710 0.9390 C.2 240 ARG548240 1.0000 + 3855 O 12.7360 -9.4570 1.0270 O.2 240 ARG548240 1.0000 + 3856 CB 13.8830 -6.9200 0.3920 C.3 240 ARG548240 1.0000 + 3857 HB1 13.1931 -6.4644 1.1023 H 240 ARG548240 1.0000 + 3858 HB2 13.3375 -7.3660 -0.4396 H 240 ARG548240 1.0000 + 3859 CG 14.7640 -5.8160 -0.1710 C.3 240 ARG548240 1.0000 + 3860 HG1 14.8538 -5.8772 -1.2556 H 240 ARG548240 1.0000 + 3861 HG2 15.7763 -5.8551 0.2313 H 240 ARG548240 1.0000 + 3862 CD 14.2200 -4.4360 0.1460 C.3 240 ARG548240 1.0000 + 3863 HD1 14.7367 -3.9793 0.9901 H 240 ARG548240 1.0000 + 3864 HD2 13.1605 -4.4652 0.4003 H 240 ARG548240 1.0000 + 3865 NE 14.3610 -3.5230 -0.9830 N.pl3 240 ARG548240 1.0000 + 3866 HE 15.0295 -3.7808 -1.7230 H 240 ARG548240 1.0000 + 3867 CZ 13.6930 -2.3850 -1.1290 C.cat 240 ARG548240 1.0000 + 3868 NH1 12.8150 -2.0050 -0.2070 N.pl3 240 ARG548240 1.0000 + 3869 HH11 12.2975 -1.1218 -0.3217 H 240 ARG548240 1.0000 + 3870 HH12 12.6518 -2.5936 0.6223 H 240 ARG548240 1.0000 + 3871 NH2 13.8990 -1.6270 -2.2000 N.pl3 240 ARG548240 1.0000 + 3872 HH21 13.3808 -0.7441 -2.3134 H 240 ARG548240 1.0000 + 3873 HH22 14.5770 -1.9220 -2.9171 H 240 ARG548240 1.0000 + 3874 N 14.7890 -10.3760 0.6820 N.am 241 LEU549241 1.0000 + 3875 HN 15.8033 -10.2019 0.7231 H 241 LEU549241 1.0000 + 3876 CA 14.3210 -11.7120 0.3450 C.3 241 LEU549241 1.0000 + 3877 HA 13.6922 -11.6803 -0.5448 H 241 LEU549241 1.0000 + 3878 C 13.5070 -12.2940 1.4940 C.2 241 LEU549241 1.0000 + 3879 O 12.5540 -13.0480 1.2870 O.2 241 LEU549241 1.0000 + 3880 CB 15.5160 -12.5930 -0.0250 C.3 241 LEU549241 1.0000 + 3881 HB1 15.1499 -13.4126 -0.6433 H 241 LEU549241 1.0000 + 3882 HB2 15.9555 -12.9679 0.8994 H 241 LEU549241 1.0000 + 3883 CG 16.6400 -11.8990 -0.8120 C.3 241 LEU549241 1.0000 + 3884 HG 16.9319 -10.9721 -0.3184 H 241 LEU549241 1.0000 + 3885 CD1 17.8600 -12.8050 -0.9030 C.3 241 LEU549241 1.0000 + 3886 HD11 18.6472 -12.3001 -1.4629 H 241 LEU549241 1.0000 + 3887 HD12 18.2185 -13.0345 0.1005 H 241 LEU549241 1.0000 + 3888 HD13 17.5891 -13.7301 -1.4118 H 241 LEU549241 1.0000 + 3889 CD2 16.1780 -11.4780 -2.1920 C.3 241 LEU549241 1.0000 + 3890 HD21 16.9993 -10.9913 -2.7179 H 241 LEU549241 1.0000 + 3891 HD22 15.8583 -12.3565 -2.7524 H 241 LEU549241 1.0000 + 3892 HD23 15.3435 -10.7829 -2.1000 H 241 LEU549241 1.0000 + 3893 N 13.8830 -11.9280 2.7170 N.am 242 HIS550242 1.0000 + 3894 HN 14.6812 -11.2865 2.8276 H 242 HIS550242 1.0000 + 3895 CA 13.1900 -12.4150 3.9040 C.3 242 HIS550242 1.0000 + 3896 HA 12.8833 -13.4566 3.8090 H 242 HIS550242 1.0000 + 3897 C 11.9190 -11.6180 4.2070 C.2 242 HIS550242 1.0000 + 3898 O 11.6200 -11.4110 5.3920 O.2 242 HIS550242 1.0000 + 3899 CB 14.1050 -12.3540 5.1300 C.3 242 HIS550242 1.0000 + 3900 HB1 13.5029 -12.5753 6.0113 H 242 HIS550242 1.0000 + 3901 HB2 14.5243 -11.3496 5.1880 H 242 HIS550242 1.0000 + 3902 CG 15.2510 -13.3130 5.1240 C.ar 242 HIS550242 1.0000 + 3903 ND1 16.0780 -13.4650 6.2200 N.ar 242 HIS550242 1.0000 + 3904 CD2 15.7190 -14.1680 4.1880 C.ar 242 HIS550242 1.0000 + 3905 HD2 15.3080 -14.3200 3.1900 H 242 HIS550242 1.0000 + 3906 CE1 17.0040 -14.3660 5.9550 C.ar 242 HIS550242 1.0000 + 3907 HE1 17.7943 -14.6882 6.6331 H 242 HIS550242 1.0000 + 3908 NE2 16.8090 -14.8110 4.7260 N.ar 242 HIS550242 1.0000 + 3909 HE2 17.3802 -15.5231 4.2490 H 242 HIS550242 1.0000 + 3910 N 11.1920 -11.1830 3.1830 N.am 243 ALA551243 1.0000 + 3911 HN 11.4929 -11.4001 2.2222 H 243 ALA551243 1.0000 + 3912 CA 9.9730 -10.4020 3.3930 C.3 243 ALA551243 1.0000 + 3913 HA 9.9732 -9.9051 4.3632 H 243 ALA551243 1.0000 + 3914 C 8.7260 -11.2750 3.3380 C.2 243 ALA551243 1.0000 + 3915 HC 8.3710 -11.6215 2.3675 H 243 ALA551243 1.0000 + 3916 O 8.1040 -11.6040 4.3480 O.2 243 ALA551243 1.0000 + 3917 CB 9.8870 -9.2820 2.3660 C.3 243 ALA551243 1.0000 + 3918 HB1 8.9761 -8.7064 2.5307 H 243 ALA551243 1.0000 + 3919 HB2 10.7529 -8.6278 2.4677 H 243 ALA551243 1.0000 + 3920 HB3 9.8703 -9.7085 1.3630 H 243 ALA551243 1.0000 +@<TRIPOS>BOND + 1 1 4 1 + 2 1 2 1 + 3 1 3 1 + 4 4 6 1 + 5 4 8 1 + 6 4 5 1 + 7 6 7 2 + 8 8 9 1 + 9 8 10 1 + 10 8 11 1 + 11 12 14 1 + 12 12 13 1 + 13 14 16 1 + 14 14 18 1 + 15 14 15 1 + 16 16 17 2 + 17 18 21 1 + 18 18 19 1 + 19 18 20 1 + 20 21 23 1 + 21 21 27 1 + 22 21 22 1 + 23 23 24 1 + 24 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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/rdock/1sj0_rdock.prm Mon Aug 29 08:34:42 2016 -0400 @@ -0,0 +1,53 @@ +RBT_PARAMETER_FILE_V1.00 +TITLE 1sj0_ASTEX + +RECEPTOR_FILE 1sj0_rdock.mol2 +RECEPTOR_FLEX 3.0 + +################################################################## +### CAVITY DEFINITION: REFERENCE LIGAND METHOD +################################################################## +SECTION MAPPER + SITE_MAPPER RbtLigandSiteMapper + REF_MOL 1sj0_ligand.sd + RADIUS 6.0 + SMALL_SPHERE 1.0 + MIN_VOLUME 100 + MAX_CAVITIES 1 + VOL_INCR 0.0 + GRIDSTEP 0.5 +END_SECTION + +################################################################ +# CAVITY DEFINITION: TWO SPHERES METHOD +################################################################ +#SECTION MAPPER +# SITE_MAPPER RbtSphereSiteMapper +##HETATM 2815 O HOH 756 37.266 -20.992 -4.910 0.90 24.86 1CSE2940 +# CENTER (7.185,8.250,22.649) +# RADIUS 15.0 +# SMALL_SPHERE 1.5 +# LARGE_SPHERE 6.0 +# MAX_CAVITIES 1 +#END_SECTION + +################################# +#CAVITY RESTRAINT PENALTY +################################# +SECTION CAVITY + SCORING_FUNCTION RbtCavityGridSF + WEIGHT 1.0 +END_SECTION + +################################# +## PHARMACOPHORIC RESTRAINTS +################################# +#SECTION PHARMA +# SCORING_FUNCTION RbtPharmaSF +# WEIGHT 1.0 +# CONSTRAINTS_FILE pharma_cdk2.const +# OPTIONAL_FILE optional.const +# NOPT 3 +# WRITE_ERRORS TRUE +#END_SECTION +
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/rdock/done Mon Aug 29 08:34:42 2016 -0400 @@ -0,0 +1,1 @@ +DONE
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/rdock/sorted.sd Mon Aug 29 08:34:42 2016 -0400 @@ -0,0 +1,25917 @@ +1NEM.B + rDOCK(R) 3D +libRbt.so/2013.1/901 2013/11/27 + 67 70 0 0 0 0 0 0 0 0999 V2000 + 3.3692 -2.0866 -2.0612 O 0 0 0 0 0 0 + 3.5175 -3.0354 -2.1717 H 0 0 0 0 0 0 + 3.0585 -1.8094 -0.6942 C 0 0 0 0 0 0 + 2.6180 -0.3648 -0.4618 C 0 0 0 0 0 0 + 1.3178 -0.1421 -0.9999 O 0 0 0 0 0 0 + 2.4588 0.0226 0.9997 C 0 0 0 0 0 0 + 3.7710 0.1240 1.5575 O 0 0 0 0 0 0 + 1.6983 1.3229 0.8189 C 0 0 0 0 0 0 + 2.5174 2.3547 0.2588 O 0 0 0 0 0 0 + 2.7376 2.1308 -0.6560 H 0 0 0 0 0 0 + 0.6643 0.8520 -0.2106 C 0 0 0 0 0 0 + 3.8484 0.1578 2.9540 C 0 0 0 0 0 0 + 3.1968 1.4497 3.4658 C 0 0 0 0 0 0 + 3.7945 2.6276 2.7836 N 0 3 0 0 0 0 + 4.7786 2.6783 3.0003 H 0 0 0 0 0 0 + 3.6744 2.5356 1.7856 H 0 0 0 0 0 0 + 3.3359 3.4687 3.1015 H 0 0 0 0 0 0 + 3.3192 1.5556 4.9894 C 0 0 0 0 0 0 + 2.4724 0.5938 5.6046 O 0 0 0 0 0 0 + 1.5805 0.6685 5.2386 H 0 0 0 0 0 0 + 4.7648 1.3336 5.4448 C 0 0 0 0 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+167.08498099,44.27339810,-139.46852047,-157.86455310,173.64017668,-130.92189345 +179.49108235,54.93444547,67.88121562,-137.86378695,2.30319388,87.09950789 +-74.48402397,-161.44255364,98.20306978,-177.50226727,-51.07515717,137.06373094 +24.40009116,-111.25365755,126.07609919,174.58429038,-1.68353695,-1.87177990 +1.74469330,2.19685348,0.10730384,2.44022903 + +> <Name> +1NEM.B + +> <RI> +3.89357e+07 + +> <Rbt.Current_Directory> +/tmp/tmpkSNM9f/job_working_directory/000/8/working + +> <Rbt.Executable> +rbdock ($Id: //depot/dev/client3/rdock/2013.1/src/exe/rbdock.cxx#4 $) + +> <Rbt.Library> +libRbt.so (2013.1, Build901 2013/11/27) + +> <Rbt.Parameter_File> +/tmp/tmpkSNM9f/job_working_directory/000/8/working/data/scripts/dock.prm + +> <Rbt.Receptor> +new.prm + +> <SCORE> +5.84392 + +> <SCORE.INTER> +-9.67248 + +> <SCORE.INTER.CONST> +1 + +> <SCORE.INTER.POLAR> +-3.63949 + +> <SCORE.INTER.REPUL> +1.60055 + +> <SCORE.INTER.ROT> +9 + +> <SCORE.INTER.VDW> +-19.7009 + +> <SCORE.INTER.norm> 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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/smina/ligand.pdbqt Mon Aug 29 08:34:42 2016 -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/smina/output Mon Aug 29 08:34:42 2016 -0400 @@ -0,0 +1,455 @@ + + OpenBabel08231616563D + + 39 43 0 0 0 0 0 0 0 0999 V2000 + 16.4510 100.2900 50.5660 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.3770 101.2420 51.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 + 17.1640 101.7820 52.3830 N 0 0 0 0 0 0 0 0 0 0 0 0 + 16.0730 101.4370 53.1750 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.0970 100.4800 52.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.3050 99.9100 51.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.9250 100.1250 53.5580 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0900 100.2600 54.9220 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.0910 99.9700 55.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.8660 99.5260 55.3320 N 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6400 99.3720 53.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.6630 99.6670 53.0370 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.3520 100.1410 57.1640 N 0 0 0 0 0 0 0 0 0 0 0 0 + 14.3420 100.4500 57.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3760 99.9260 58.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4540 98.7400 58.9470 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4690 98.4690 59.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4280 99.4150 60.2060 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3390 100.6150 59.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.3000 100.8950 58.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1400 102.2080 57.5780 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4840 97.2980 60.8410 N 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4920 96.3700 61.0090 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4670 96.2700 60.2890 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5850 97.1260 61.4200 H 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4000 95.3940 62.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.5350 94.5390 62.4840 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4140 93.5930 63.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.1620 93.4990 64.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.0550 94.3600 63.9340 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1660 95.2900 62.8780 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.9490 92.5030 65.4390 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.7450 91.6210 65.3790 N 0 0 0 0 0 0 0 0 0 0 0 0 + 10.6520 90.7140 66.6020 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.3850 89.8070 66.5410 C 0 0 0 0 0 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<minimizedAffinity> +-13.0918808 + +$$$$ + + OpenBabel08231616563D + + 39 43 0 0 0 0 0 0 0 0999 V2000 + 7.3280 87.1680 59.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.4050 87.0330 58.8160 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6130 88.1170 58.4240 N 0 0 0 0 0 0 0 0 0 0 0 0 + 5.6720 89.3570 59.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.5820 89.5670 60.1620 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.4130 88.4440 60.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.6260 90.9120 60.8280 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.3950 91.0230 61.9690 N 0 0 0 0 0 0 0 0 0 0 0 0 + 7.5100 92.1970 62.6510 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.8430 93.3240 62.1990 N 0 0 0 0 0 0 0 0 0 0 0 0 + 6.0560 93.2750 61.0600 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.9210 92.0650 60.3320 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3150 92.2120 63.7940 N 0 0 0 0 0 0 0 0 0 0 0 0 + 7.9990 91.6460 64.6600 H 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5180 92.9370 63.8610 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.7350 93.9930 62.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.9660 94.7860 62.9530 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.9450 94.4770 63.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.7370 93.4150 64.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5330 92.6300 64.8740 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.3810 91.5120 65.9320 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.2560 95.8700 62.0450 N 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3680 96.0510 61.2460 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4030 95.4200 61.3490 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5010 96.6430 61.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3360 97.0990 60.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1480 97.9280 59.9800 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1360 98.9180 58.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3080 99.0840 58.0930 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4740 98.2560 58.3180 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4940 97.2820 59.3400 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3640 100.1010 56.9480 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.1670 99.7450 55.7400 N 0 0 0 0 0 0 0 0 0 0 0 0 + 14.4920 100.4980 55.7050 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.3330 100.1110 54.4500 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.5200 100.3920 53.1950 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2000 99.6380 53.2180 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.3380 100.0890 52.0080 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3850 100.0080 54.4850 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 6 2 0 0 0 0 + 2 1 1 0 0 0 0 + 3 2 2 0 0 0 0 + 3 4 1 0 0 0 0 + 4 5 2 0 0 0 0 + 5 6 1 0 0 0 0 + 5 7 1 0 0 0 0 + 7 8 2 0 0 0 0 + 8 9 2 0 0 0 0 + 9 13 1 0 0 0 0 + 10 9 2 0 0 0 0 + 11 10 1 0 0 0 0 + 12 7 1 0 0 0 0 + 12 11 2 0 0 0 0 + 13 15 1 0 0 0 0 + 13 14 1 0 0 0 0 + 15 20 2 0 0 0 0 + 16 17 2 0 0 0 0 + 16 15 1 0 0 0 0 + 17 18 1 0 0 0 0 + 18 19 2 0 0 0 0 + 20 19 1 0 0 0 0 + 20 21 1 0 0 0 0 + 22 17 1 0 0 0 0 + 23 24 2 0 0 0 0 + 23 22 1 0 0 0 0 + 25 22 1 0 0 0 0 + 26 23 1 0 0 0 0 + 27 26 1 0 0 0 0 + 28 27 2 0 0 0 0 + 29 30 2 0 0 0 0 + 29 28 1 0 0 0 0 + 30 31 1 0 0 0 0 + 31 26 2 0 0 0 0 + 32 29 1 0 0 0 0 + 33 32 1 0 0 0 0 + 34 33 1 0 0 0 0 + 35 34 1 0 0 0 0 + 36 37 1 0 0 0 0 + 36 35 1 0 0 0 0 + 37 39 1 0 0 0 0 + 38 36 1 0 0 0 0 + 39 33 1 0 0 0 0 +M END +> <minimizedAffinity> +-10.7934837 + +$$$$ + + OpenBabel08231616563D + + 39 43 0 0 0 0 0 0 0 0999 V2000 + 4.8630 93.5280 63.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.1170 93.8550 61.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.3580 93.5650 61.3570 N 0 0 0 0 0 0 0 0 0 0 0 0 + 7.3910 92.9570 62.0630 C 0 0 0 0 0 0 0 0 0 0 0 0 + 7.2060 92.5970 63.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.9170 92.8960 64.0700 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3350 91.9460 64.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4320 92.7330 64.4930 N 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5110 92.2470 65.1680 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.5250 90.9250 65.5830 N 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4540 90.0860 65.3200 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.3190 90.5690 64.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5720 93.1210 65.4200 N 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6050 93.6390 66.3690 H 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5970 93.3540 64.4870 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3650 94.2900 63.4320 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4000 94.5770 62.4380 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.6460 93.8990 62.5440 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.8930 92.9540 63.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.8870 92.6630 64.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.2300 91.6410 65.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2430 95.5120 61.3480 N 0 0 0 0 0 0 0 0 0 0 0 0 + 12.2190 96.4120 61.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1540 96.4060 61.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 + 14.0320 95.5070 60.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3950 97.4700 60.0880 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4620 98.5930 59.9920 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.6440 99.5890 58.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.7550 99.4680 58.0410 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.6670 98.3500 58.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.4970 97.3690 59.1590 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.0010 100.4750 56.9120 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.6060 99.9660 55.6450 N 0 0 0 0 0 0 0 0 0 0 0 0 + 14.9420 100.6390 55.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.5760 100.0930 54.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.6030 100.3020 52.8840 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.2700 99.6270 53.1660 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.2290 99.8470 51.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.6630 100.1550 54.4920 C 0 0 0 0 0 0 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67.5660 N 0 0 0 0 0 0 0 0 0 0 0 0 + 8.9220 88.8320 66.4120 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.0110 90.2780 66.4930 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.2040 90.8730 67.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.8950 91.0900 65.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5020 92.3300 65.2310 N 0 0 0 0 0 0 0 0 0 0 0 0 + 9.4630 93.1480 64.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.7990 92.7400 62.9970 N 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1720 91.5070 62.9410 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.1980 90.6360 64.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.1100 94.3840 64.2310 N 0 0 0 0 0 0 0 0 0 0 0 0 + 9.6880 95.1480 64.8700 H 0 0 0 0 0 0 0 0 0 0 0 0 + 11.2880 94.6730 63.5210 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.1900 95.4070 62.2990 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3850 95.7430 61.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.6500 95.3170 62.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.7640 94.5770 63.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5990 94.2420 64.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.8040 93.4510 65.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3660 96.4850 60.2830 N 0 0 0 0 0 0 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0 0 0 0 0 0 0 0 0 0 0 + 3.0350 91.4100 65.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 + 5.1390 91.9310 64.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.4950 91.7060 64.2300 N 0 0 0 0 0 0 0 0 0 0 0 0 + 7.1910 92.1150 63.1340 C 0 0 0 0 0 0 0 0 0 0 0 0 + 6.5350 92.7780 62.1100 N 0 0 0 0 0 0 0 0 0 0 0 0 + 5.1760 93.0330 62.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 + 4.4280 92.6160 63.3150 C 0 0 0 0 0 0 0 0 0 0 0 0 + 8.5610 91.8390 63.0890 N 0 0 0 0 0 0 0 0 0 0 0 0 + 8.8830 90.8580 62.7650 H 0 0 0 0 0 0 0 0 0 0 0 0 + 9.5350 92.7850 63.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.8430 93.8360 62.5300 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.8440 94.8540 62.8570 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.5060 94.7720 64.1130 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.2040 93.7180 65.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 + 10.2230 92.7130 64.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 + 9.9500 91.6190 65.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.2060 95.9460 61.9850 N 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3610 96.1130 61.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.3740 95.4550 61.3900 O 0 0 0 0 0 0 0 0 0 0 0 0 + 10.4730 96.7380 61.8970 H 0 0 0 0 0 0 0 0 0 0 0 0 + 12.4080 97.1800 60.2030 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.3580 98.1950 60.1180 C 0 0 0 0 0 0 0 0 0 0 0 0 + 11.4170 99.2010 59.0890 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.5240 99.1980 58.1470 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.5530 98.1860 58.2570 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.5020 97.1950 59.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.6450 100.2210 57.0140 C 0 0 0 0 0 0 0 0 0 0 0 0 + 13.3220 99.7890 55.7550 N 0 0 0 0 0 0 0 0 0 0 0 0 + 14.6070 100.5740 55.5110 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.3180 100.1070 54.2040 C 0 0 0 0 0 0 0 0 0 0 0 0 + 14.3620 100.2590 53.0300 N 0 0 0 0 0 0 0 0 0 0 0 0 + 13.0810 99.4730 53.2620 C 0 0 0 0 0 0 0 0 0 0 0 0 + 15.0550 99.8820 51.7860 C 0 0 0 0 0 0 0 0 0 0 0 0 + 12.3980 99.9240 54.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 + 1 2 2 0 0 0 0 + 3 2 1 0 0 0 0 + 4 3 2 0 0 0 0 + 5 6 2 0 0 0 0 + 5 4 1 0 0 0 0 + 6 1 1 0 0 0 0 + 7 5 1 0 0 0 0 + 8 7 2 0 0 0 0 + 9 8 2 0 0 0 0 + 10 11 1 0 0 0 0 + 10 9 2 0 0 0 0 + 11 12 2 0 0 0 0 + 12 7 1 0 0 0 0 + 13 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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/smina/output_smina Mon Aug 29 08:34:42 2016 -0400 @@ -0,0 +1,34 @@ + _______ _______ _________ _ _______ + ( ____ \( )\__ __/( ( /|( ___ ) + | ( \/| () () | ) ( | \ ( || ( ) | + | (_____ | || || | | | | \ | || (___) | + (_____ )| |(_)| | | | | (\ \) || ___ | + ) || | | | | | | | \ || ( ) | + /\____) || ) ( |___) (___| ) \ || ) ( | + \_______)|/ \|\_______/|/ )_)|/ \| + + +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 + +0% 10 20 30 40 50 60 70 80 90 100% +|----|----|----|----|----|----|----|----|----|----| +*************************************************** + +mode | affinity | dist from best mode + | (kcal/mol) | rmsd l.b.| rmsd u.b. +-----+------------+----------+---------- +1 -13.1 0.000 0.000 +2 -10.8 3.323 12.330 +3 -10.8 2.536 12.516 +4 -10.5 1.633 13.600 +5 -10.5 3.275 13.575
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/smina/protein.pdbqt Mon Aug 29 08:34:42 2016 -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