Mercurial > repos > earlhaminst > rdock
changeset 0:63f3f7b17aa4 draft default tip
planemo upload for repository https://github.com/TGAC/earlham-galaxytools/tree/master/tools/rdock/ commit d3da4ff3bfb86ce0686a87c4987e94486854d839
| author | earlhaminst |
|---|---|
| date | Fri, 12 May 2017 09:56:42 -0400 |
| parents | |
| children | |
| files | rdock.xml test-data/1sj0_ligand.sd test-data/1sj0_rdock.mol2 test-data/1sj0_rdock.prm |
| diffstat | 4 files changed, 8120 insertions(+), 0 deletions(-) [+] |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/rdock.xml Fri May 12 09:56:42 2017 -0400 @@ -0,0 +1,46 @@ +<tool id="rdock" name="rDock" version="1.0"> + <description>Binding Mode Prediction in Proteins/RNA</description> + <requirements> + <requirement type="package" version="2013.1">rDock</requirement> + </requirements> + <command detect_errors="exit_code"><![CDATA[ +ln -s '$inputmol2' inputmol2.mol2 && +ln -s '$inputsd' ligand.sd && +sed 's|RECEPTOR_FILE.*|RECEPTOR_FILE inputmol2.mol2|g' < '$inputprm' | sed 's|REF_MOL.*|REF_MOL ./ligand.sd|g' > new.prm && +rbcavity -r new.prm -was && +rbdock -r new.prm -p dock.prm -n 100 -i '$inputsd' -o output_docking_out && +sdsort -n -f'SCORE' output_docking_out.sd > sorted.sd && +sdrmsd '$inputsd' sorted.sd > '$output_rdock' + ]]></command> + <inputs> + <param name="inputprm" argument="-r" type="data" format="prm" label="Receptor param file (contains active site params)" /> + <param name="inputmol2" type="data" format="mol2" label="MOL2 file" /> + <param name="inputsd" argument="-i" type="data" format="sdf" label="Ligand SD file" /> + </inputs> + <outputs> + <data name="output_rdock" format="tabular" /> + </outputs> + <tests> + <test> + <param name="inputprm" value="1sj0_rdock.prm" /> + <param name="inputmol2" value="1sj0_rdock.mol2" /> + <param name="inputsd" value="1sj0_ligand.sd" /> + <output name="output_rdock"> + <assert_contents> + <has_n_columns n="2" /> + </assert_contents> + </output> + </test> + </tests> + <help><![CDATA[ +**What it does** + +`rDock`_ is a fast and versatile open source docking program that can be used to dock small molecules against proteins and nucleic acids. +It is designed for High Throughput Virtual Screening (HTVS) campaigns and Binding Mode prediction studies. + +.. _rDock: http://rdock.sourceforge.net/ + ]]></help> + <citations> + <citation type="doi">10.1371/journal.pcbi.1003571</citation> + </citations> +</tool>
--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/1sj0_ligand.sd Fri May 12 09:56:42 2017 -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/1sj0_rdock.mol2 Fri May 12 09:56:42 2017 -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/1sj0_rdock.prm Fri May 12 09:56:42 2017 -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 +