forked from lijiext/lammps
650 lines
51 KiB
Plaintext
650 lines
51 KiB
Plaintext
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!BIOSYM archive 3
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PBC=OFF
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input file for discover
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!DATE Mon Jul 14 13:41:23 1997
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N 17.047000885 14.098999977 3.625000000 THRN 1 n4 N -0.500
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HN3 16.238992691 14.681707382 3.886676073 THRN 1 hn H 0.360
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HN1 17.917675018 14.581335068 3.889913321 THRN 1 hn H 0.360
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HN2 17.039421082 13.939416885 2.607465982 THRN 1 hn H 0.360
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CA 16.966999054 12.784000397 4.337999821 THRN 1 ca C 0.320
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HA 16.972635269 11.928232193 3.662923098 THRN 1 h H 0.100
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C 15.685000420 12.755000114 5.132999897 THRN 1 c' C 0.380
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O 15.267999649 13.824999809 5.593999863 THRN 1 o' O -0.380
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CB 18.170000076 12.703000069 5.336999893 THRN 1 c1 C -0.070
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HB 18.120826721 13.621001244 5.922624588 THRN 1 h H 0.100
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OG1 19.333999634 12.829000473 4.462999821 THRN 1 oh O -0.380
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HG1 19.691650391 13.794054985 4.503693104 THRN 1 ho H 0.350
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CG2 18.149999619 11.545999527 6.303999901 THRN 1 c3 C -0.300
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HG21 19.007284164 11.616475105 6.973474979 THRN 1 h H 0.100
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HG22 17.230155945 11.575787544 6.888035774 THRN 1 h H 0.100
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HG23 18.198083878 10.608263016 5.750428200 THRN 1 h H 0.100
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N 15.114999771 11.555000305 5.264999866 THR 2 n N -0.500
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HN 15.528337479 10.717791557 4.830105782 THR 2 hn H 0.280
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CA 13.855999947 11.468999863 6.065999985 THR 2 ca C 0.120
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HA 13.508913994 12.491562843 6.214313030 THR 2 h H 0.100
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C 14.163999557 10.784999847 7.379000187 THR 2 c' C 0.380
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O 14.993000031 9.862000465 7.442999840 THR 2 o' O -0.380
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CB 12.732000351 10.711000443 5.261000156 THR 2 c1 C -0.070
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HB 11.753349304 10.621357918 5.732493877 THR 2 h H 0.100
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OG1 13.307999611 9.439000130 4.926000118 THR 2 oh O -0.380
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HG1 12.585855484 8.833214760 4.510751247 THR 2 ho H 0.350
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CG2 12.484000206 11.442000389 3.894999981 THR 2 c3 C -0.300
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HG21 11.803796768 10.849267006 3.283370495 THR 2 h H 0.100
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HG22 12.044157028 12.421771049 4.081242085 THR 2 h H 0.100
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HG23 13.431519508 11.563512802 3.370076180 THR 2 h H 0.100
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N 13.487999916 11.241000175 8.416999817 CYS 3 n N -0.500
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HN 12.810626030 12.002311707 8.267102242 CYS 3 hn H 0.280
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CA 13.659999847 10.706999779 9.786999702 CYS 3 ca C 0.120
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HA 14.238283157 9.783084869 9.778588295 CYS 3 h H 0.100
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C 12.269000053 10.430999756 10.322999954 CYS 3 c' C 0.380
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O 11.392999649 11.307999611 10.185000420 CYS 3 o' O -0.380
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CB 14.368000031 11.748000145 10.690999985 CYS 3 c2 C -0.300
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HB1 13.670405388 12.570071220 10.851186752 CYS 3 h H 0.100
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HB2 14.606354713 11.254445076 11.633172989 CYS 3 h H 0.100
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SG 15.885000229 12.425999641 10.015999794 CYS 3 s1 S 0.100
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N 12.019000053 9.272000313 10.928000450 CYS 4 n N -0.500
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HN 12.770128250 8.579818726 11.060630798 CYS 4 hn H 0.280
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CA 10.645999908 8.991000175 11.407999992 CYS 4 ca C 0.120
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HA 10.045209885 9.855814934 11.126492500 CYS 4 h H 0.100
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C 10.654000282 8.793000221 12.918999672 CYS 4 c' C 0.380
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O 11.659000397 8.295999527 13.491000175 CYS 4 o' O -0.380
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CB 10.057000160 7.751999855 10.682000160 CYS 4 c2 C -0.300
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HB1 10.731808662 6.925758839 10.905740738 CYS 4 h H 0.100
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HB2 9.122684479 7.521792412 11.194015503 CYS 4 h H 0.100
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SG 9.836999893 8.017999649 8.904000282 CYS 4 s1 S 0.100
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N 9.560999870 9.107999802 13.562999725 PRO 5 n N -0.420
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CA 9.447999954 9.034000397 15.012000084 PRO 5 ca C 0.060
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HA 10.341467857 9.534400940 15.385380745 PRO 5 h H 0.100
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CD 8.366000175 9.803999901 12.958000183 PRO 5 c2 C 0.060
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HD1 8.002507210 9.270477295 12.079748154 PRO 5 h H 0.100
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HD2 8.616027832 10.819077492 12.649448395 PRO 5 h H 0.100
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C 9.288000107 7.670000076 15.605999947 PRO 5 c' C 0.380
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O 9.489999771 7.519000053 16.819000244 PRO 5 o' O -0.380
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CB 8.229999542 9.956999779 15.345000267 PRO 5 c2 C -0.200
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HB1 7.714309216 9.644173622 16.252912521 PRO 5 h H 0.100
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HB2 8.527364731 10.997467041 15.475772858 PRO 5 h H 0.100
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CG 7.337999821 9.786000252 14.114000320 PRO 5 c2 C -0.200
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HG1 6.782078266 8.848659515 14.135046959 PRO 5 h H 0.100
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HG2 6.614880562 10.595389366 14.013560295 PRO 5 h H 0.100
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N 8.875000000 6.685999870 14.795999527 SER 6 n N -0.500
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HN 8.693690300 6.898229599 13.804543495 SER 6 hn H 0.280
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CA 8.673000336 5.314000130 15.279000282 SER 6 ca C 0.120
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HA 9.487320900 5.098019123 15.970617294 SER 6 h H 0.100
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C 8.753000259 4.375999928 14.083000183 SER 6 c' C 0.380
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O 8.725999832 4.857999802 12.923000336 SER 6 o' O -0.380
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CB 7.340000153 5.120999813 15.996000290 SER 6 c2 C -0.170
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HB1 7.303732872 4.135610104 16.460533142 SER 6 h H 0.100
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HB2 7.204785347 5.896010399 16.750438690 SER 6 h H 0.100
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OG 6.274000168 5.219999790 15.031000137 SER 6 oh O -0.380
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HG 6.086399078 6.211903572 14.826469421 SER 6 ho H 0.350
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N 8.880999565 3.075000048 14.357999802 ILE 7 n N -0.500
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HN 8.958233833 2.761164188 15.335978508 ILE 7 hn H 0.280
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CA 8.911999702 2.082999945 13.258000374 ILE 7 ca C 0.120
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HA 9.752125740 2.304961205 12.599957466 ILE 7 h H 0.100
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C 7.580999851 2.089999914 12.505999565 ILE 7 c' C 0.380
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O 7.670000076 2.030999899 11.244999886 ILE 7 o' O -0.380
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CB 9.206999779 0.676999986 13.923999786 ILE 7 c1 C -0.100
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HB 8.631069183 0.572530746 14.843504906 ILE 7 h H 0.100
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CG1 10.713999748 0.702000022 14.312000275 ILE 7 c2 C -0.200
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HG11 11.291265488 0.728613675 13.387794495 ILE 7 h H 0.100
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HG12 10.887344360 1.603095889 14.900283813 ILE 7 h H 0.100
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CG2 8.810999870 -0.476999998 12.968999863 ILE 7 c3 C -0.300
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HG21 9.032923698 -1.433422685 13.442394257 ILE 7 h H 0.100
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HG22 7.744652271 -0.418968171 12.750744820 ILE 7 h H 0.100
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HG23 9.376438141 -0.391609550 12.041049957 ILE 7 h H 0.100
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CD1 11.185000420 -0.515999973 15.142000198 ILE 7 c3 C -0.300
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HD11 11.020709038 -1.430322766 14.571805000 ILE 7 h H 0.100
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HD12 12.246717453 -0.414458960 15.366830826 ILE 7 h H 0.100
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HD13 10.619837761 -0.562440276 16.072879791 ILE 7 h H 0.100
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N 6.458000183 2.161999941 13.159000397 VAL 8 n N -0.500
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HN 6.476118088 2.187154531 14.188533783 VAL 8 hn H 0.280
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CA 5.144999981 2.209000111 12.453000069 VAL 8 ca C 0.120
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HA 5.026936531 1.265246391 11.920561790 VAL 8 h H 0.100
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C 5.114999771 3.378999949 11.461000443 VAL 8 c' C 0.380
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O 4.664000034 3.267999887 10.343000412 VAL 8 o' O -0.380
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CB 3.994999886 2.354000092 13.477999687 VAL 8 c1 C -0.100
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HB 4.418568611 3.051678419 14.200449944 VAL 8 h H 0.100
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CG1 2.716000080 2.891000032 12.869000435 VAL 8 c3 C -0.300
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HG11 1.981043458 3.059607983 13.656088829 VAL 8 h H 0.100
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HG12 2.923026085 3.831490993 12.358395576 VAL 8 h H 0.100
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HG13 2.322393417 2.168816090 12.153719902 VAL 8 h H 0.100
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CG2 3.757999897 1.031999946 14.208000183 VAL 8 c3 C -0.300
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HG21 3.374393702 0.292122275 13.505486488 VAL 8 h H 0.100
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HG22 4.697329521 0.676970363 14.631930351 VAL 8 h H 0.100
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HG23 3.033046246 1.182916164 15.007855415 VAL 8 h H 0.100
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N 5.605999947 4.546000004 11.940999985 ALA 9 n N -0.500
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HN 5.984637260 4.591287613 12.897809029 ALA 9 hn H 0.280
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CA 5.598000050 5.767000198 11.081999779 ALA 9 ca C 0.120
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HA 4.565777779 5.921326160 10.767674446 ALA 9 h H 0.100
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C 6.440999985 5.526999950 9.850000381 ALA 9 c' C 0.380
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O 6.052000046 5.933000088 8.744000435 ALA 9 o' O -0.380
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CB 6.021999836 6.977000237 11.890999794 ALA 9 c3 C -0.300
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HB1 5.950239658 7.871601582 11.272420883 ALA 9 h H 0.100
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HB2 5.369528770 7.081964016 12.757813454 ALA 9 h H 0.100
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HB3 7.051515102 6.848640919 12.225253105 ALA 9 h H 0.100
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N 7.646999836 4.908999920 10.005000114 ARG 10 n N -0.500
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HN 7.968383789 4.648912430 10.948380470 ARG 10 hn H 0.280
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CA 8.496000290 4.609000206 8.836999893 ARG 10 ca C 0.120
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HA 8.672454834 5.551135063 8.318015099 ARG 10 h H 0.100
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C 7.797999859 3.608999968 7.875999928 ARG 10 c' C 0.380
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O 7.877999783 3.778000116 6.651000023 ARG 10 o' O -0.380
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CB 9.847000122 4.019999981 9.305000305 ARG 10 c2 C -0.200
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HB1 10.292553902 4.780714035 9.946011543 ARG 10 h H 0.110
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HB2 9.592742920 3.191395044 9.965959549 ARG 10 h H 0.110
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CG 10.751999855 3.607000113 8.149000168 ARG 10 c2 C -0.200
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HG1 11.631093979 3.136696339 8.589575768 ARG 10 h H 0.130
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HG2 10.187005997 2.897431850 7.544521332 ARG 10 h H 0.130
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CD 11.225999832 4.698999882 7.243999958 ARG 10 c2 C -0.160
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HD1 11.795847893 4.300052166 6.404825211 ARG 10 h H 0.130
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HD2 10.397437096 5.319350719 6.902313709 ARG 10 h H 0.130
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NE 12.142999649 5.571000099 8.034999847 ARG 10 n N -0.560
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CZ 12.758000374 6.609000206 7.442999840 ARG 10 cr C 0.380
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NH1 12.538999557 6.932000160 6.157999992 ARG 10 n2 N -0.560
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HH11 11.887275696 6.371951103 5.590105534 ARG 10 hn H 0.280
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HH12 13.022671700 7.739827156 5.740416050 ARG 10 hn H 0.280
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NH2 13.600999832 7.322000027 8.201999664 ARG 10 n2 N -0.560
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HH21 13.756224632 7.059009075 9.185687065 ARG 10 hn H 0.280
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HH22 14.093895912 8.133021355 7.801752567 ARG 10 hn H 0.280
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N 7.185999870 2.582000017 8.444999695 SER 11 n N -0.500
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HN 7.181996822 2.472300768 9.469133377 SER 11 hn H 0.280
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CA 6.500000000 1.583999991 7.565000057 SER 11 ca C 0.120
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HA 7.232992172 1.158654571 6.879504681 SER 11 h H 0.100
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C 5.381999969 2.312999964 6.772999763 SER 11 c' C 0.380
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O 5.212999821 2.016000032 5.557000160 SER 11 o' O -0.380
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CB 5.907999992 0.462000012 8.399999619 SER 11 c2 C -0.170
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HB1 5.275885105 0.867496729 9.190001488 SER 11 h H 0.100
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HB2 5.339412212 -0.222457558 7.770455360 SER 11 h H 0.100
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OG 6.989999771 -0.272000015 9.012000084 SER 11 oh O -0.380
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HG 6.754035950 -0.477917194 9.993233681 SER 11 ho H 0.350
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N 4.647999763 3.181999922 7.446000099 ASN 12 n N -0.500
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HN 4.830713749 3.344167471 8.446608543 ASN 12 hn H 0.280
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CA 3.545000076 3.934999943 6.750999928 ASN 12 ca C 0.120
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HA 2.931945086 3.139469147 6.327450275 ASN 12 h H 0.100
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C 4.106999874 4.850999832 5.690999985 ASN 12 c' C 0.380
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O 3.536000013 5.000999928 4.617000103 ASN 12 o' O -0.380
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CB 2.663000107 4.677000046 7.748000145 ASN 12 c2 C -0.200
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HB1 3.340831280 5.294844151 8.336993217 ASN 12 h H 0.100
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HB2 2.070847750 5.373784065 7.154748440 ASN 12 h H 0.100
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CG 1.802000046 3.734999895 8.609999657 ASN 12 c' C 0.380
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OD1 1.567000031 2.612999916 8.164999962 ASN 12 o' O -0.380
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ND2 1.394000053 4.251999855 9.767000198 ASN 12 n2 N -0.560
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HD21 1.661958218 5.212530613 10.024837494 ASN 12 hn H 0.280
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HD22 0.810311615 3.691485643 10.404206276 ASN 12 hn H 0.280
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N 5.258999825 5.498000145 6.005000114 PHE 13 n N -0.500
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HN 5.665558815 5.373039246 6.943080425 PHE 13 hn H 0.280
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CA 5.928999901 6.357999802 5.054999828 PHE 13 ca C 0.120
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HA 5.242126465 7.176824093 4.840915680 PHE 13 h H 0.100
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C 6.303999901 5.578000069 3.799000025 PHE 13 c' C 0.380
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O 6.136000156 6.072000027 2.653000116 PHE 13 o' O -0.380
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CB 7.183000088 6.993999958 5.754000187 PHE 13 c2 C -0.200
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HB1 6.822110653 7.422051907 6.689217091 PHE 13 h H 0.100
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HB2 7.827757359 6.160566807 6.032885551 PHE 13 h H 0.100
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CG 7.883999825 8.005999565 4.882999897 PHE 13 cp C 0.000
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CD1 8.906000137 7.585999966 4.026999950 PHE 13 cp C -0.100
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HD1 9.200509071 6.536970615 3.996972561 PHE 13 h H 0.100
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CD2 7.532000065 9.373000145 4.982999802 PHE 13 cp C -0.100
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HD2 6.777885437 9.706417084 5.695912361 PHE 13 h H 0.100
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CE1 9.560000420 8.538999557 3.194000006 PHE 13 cp C -0.100
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HE1 10.356478691 8.246096611 2.509945869 PHE 13 h H 0.100
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CE2 8.175999641 10.281000137 4.144999981 PHE 13 cp C -0.100
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HE2 7.907211304 11.336964607 4.173122406 PHE 13 h H 0.100
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CZ 9.140999794 9.845000267 3.292000055 PHE 13 cp C -0.100
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HZ 9.614526749 10.580624580 2.641823530 PHE 13 h H 0.100
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N 6.900000095 4.389999866 3.989000082 ASN 14 n N -0.500
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HN 7.056817055 4.026083469 4.939722538 ASN 14 hn H 0.280
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CA 7.330999851 3.607000113 2.790999889 ASN 14 ca C 0.120
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HA 8.025202751 4.266238213 2.269859314 ASN 14 h H 0.100
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C 6.116000175 3.210000038 1.914999962 ASN 14 c' C 0.380
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O 6.239999771 3.144000053 0.684000015 ASN 14 o' O -0.380
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CB 8.145000458 2.404000044 3.240000010 ASN 14 c2 C -0.200
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HB1 7.607684612 1.901341796 4.044192791 ASN 14 h H 0.100
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HB2 8.238607407 1.714848042 2.400710344 ASN 14 h H 0.100
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CG 9.555000305 2.855999947 3.730000019 ASN 14 c' C 0.380
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||
|
|
OD1 10.012999535 3.894999981 3.322999954 ASN 14 o' O -0.380
|
||
|
|
ND2 10.119999886 1.955999970 4.539000034 ASN 14 n2 N -0.560
|
||
|
|
HD21 9.602790833 1.105753064 4.804471970 ASN 14 hn H 0.280
|
||
|
|
HD22 11.072957993 2.112127066 4.897321224 ASN 14 hn H 0.280
|
||
|
|
N 4.993000031 2.927000046 2.571000099 VAL 15 n N -0.500
|
||
|
|
HN 4.955123901 2.932416916 3.600289106 VAL 15 hn H 0.280
|
||
|
|
CA 3.782000065 2.598999977 1.741999984 VAL 15 ca C 0.120
|
||
|
|
HA 4.121348858 1.813766837 1.066462040 VAL 15 h H 0.100
|
||
|
|
C 3.296000004 3.871000051 1.003999949 VAL 15 c' C 0.380
|
||
|
|
O 2.947000027 3.816999912 -0.188999996 VAL 15 o' O -0.380
|
||
|
|
CB 2.697999954 1.952999949 2.608000040 VAL 15 c1 C -0.100
|
||
|
|
HB 2.505213737 2.550559521 3.498986244 VAL 15 h H 0.100
|
||
|
|
CG1 1.383999944 1.825999975 1.805999994 VAL 15 c3 C -0.300
|
||
|
|
HG11 0.627347350 1.339950681 2.421900034 VAL 15 h H 0.100
|
||
|
|
HG12 1.035640240 2.818121433 1.518877268 VAL 15 h H 0.100
|
||
|
|
HG13 1.560454965 1.230180860 0.910475850 VAL 15 h H 0.100
|
||
|
|
CG2 3.174000025 0.532999992 3.005000114 VAL 15 c3 C -0.300
|
||
|
|
HG21 3.344338417 -0.058414809 2.105381727 VAL 15 h H 0.100
|
||
|
|
HG22 4.101772785 0.605659664 3.572501659 VAL 15 h H 0.100
|
||
|
|
HG23 2.411232710 0.051358268 3.616807222 VAL 15 h H 0.100
|
||
|
|
N 3.321000099 4.986999989 1.720000029 CYS 16 n N -0.500
|
||
|
|
HN 3.642014980 4.956790447 2.698231459 CYS 16 hn H 0.280
|
||
|
|
CA 2.890000105 6.284999847 1.126000047 CYS 16 ca C 0.120
|
||
|
|
HA 1.819724441 6.204565048 0.935894310 CYS 16 h H 0.100
|
||
|
|
C 3.687000036 6.597000122 -0.111000001 CYS 16 c' C 0.380
|
||
|
|
O 3.200000048 7.146999836 -1.103000045 CYS 16 o' O -0.380
|
||
|
|
CB 3.039000034 7.368999958 2.240000010 CYS 16 c2 C -0.300
|
||
|
|
HB1 2.427302361 7.046223164 3.082461596 CYS 16 h H 0.100
|
||
|
|
HB2 4.076938152 7.344151497 2.571914196 CYS 16 h H 0.100
|
||
|
|
SG 2.559000015 9.013999939 1.649000049 CYS 16 s1 S 0.100
|
||
|
|
N 4.997000217 6.227000237 -0.100000001 ARG 17 n N -0.500
|
||
|
|
HN 5.366806507 5.742030144 0.730028629 ARG 17 hn H 0.280
|
||
|
|
CA 5.894999981 6.488999844 -1.213000059 ARG 17 ca C 0.120
|
||
|
|
HA 5.606140137 7.505477905 -1.480268955 ARG 17 h H 0.100
|
||
|
|
C 5.737999916 5.559999943 -2.408999920 ARG 17 c' C 0.380
|
||
|
|
O 6.228000164 5.901000023 -3.506999969 ARG 17 o' O -0.380
|
||
|
|
CB 7.369999886 6.506999969 -0.731000006 ARG 17 c2 C -0.200
|
||
|
|
HB1 7.554117680 5.576966763 -0.193190947 ARG 17 h H 0.110
|
||
|
|
HB2 8.006169319 6.572014809 -1.613701701 ARG 17 h H 0.110
|
||
|
|
CG 7.717000008 7.686999798 0.206000000 ARG 17 c2 C -0.200
|
||
|
|
HG1 6.892404079 7.845237732 0.901055515 ARG 17 h H 0.130
|
||
|
|
HG2 8.617112160 7.442208767 0.769892812 ARG 17 h H 0.130
|
||
|
|
CD 7.948999882 8.946999550 -0.615000010 ARG 17 c2 C -0.160
|
||
|
|
HD1 7.120620728 9.063755989 -1.313753128 ARG 17 h H 0.130
|
||
|
|
HD2 7.958537579 9.803778648 0.058749799 ARG 17 h H 0.130
|
||
|
|
NE 9.211999893 8.855999947 -1.337000012 ARG 17 n N -0.560
|
||
|
|
CZ 9.536999702 9.532999992 -2.430999994 ARG 17 cr C 0.380
|
||
|
|
NH1 8.659000397 10.350000381 -3.032000065 ARG 17 n2 N -0.560
|
||
|
|
HH11 7.687877178 10.401560783 -2.692646742 ARG 17 hn H 0.280
|
||
|
|
HH12 8.956042290 10.925786018 -3.832710981 ARG 17 hn H 0.280
|
||
|
|
NH2 10.793000221 9.491000175 -2.898999929 ARG 17 n2 N -0.560
|
||
|
|
HH21 11.487204552 8.872345924 -2.456000090 ARG 17 hn H 0.280
|
||
|
|
HH22 11.063426018 10.077307701 -3.701504469 ARG 17 hn H 0.280
|
||
|
|
N 5.051000118 4.410999775 -2.203999996 LEU 18 n N -0.500
|
||
|
|
HN 4.617259026 4.215945244 -1.290368676 LEU 18 hn H 0.280
|
||
|
|
CA 4.933000088 3.430999994 -3.325999975 LEU 18 ca C 0.120
|
||
|
|
HA 5.980045319 3.132587433 -3.378404140 LEU 18 h H 0.100
|
||
|
|
C 4.396999836 4.013999939 -4.619999886 LEU 18 c' C 0.380
|
||
|
|
O 4.987999916 3.755000114 -5.686999798 LEU 18 o' O -0.380
|
||
|
|
CB 4.196000099 2.184000015 -2.862999916 LEU 18 c2 C -0.200
|
||
|
|
HB1 3.339328766 2.530950308 -2.285211325 LEU 18 h H 0.100
|
||
|
|
HB2 3.882649422 1.660040379 -3.765982628 LEU 18 h H 0.100
|
||
|
|
CG 4.960000038 1.177999973 -1.991000056 LEU 18 c1 C -0.100
|
||
|
|
HG 5.379372120 1.654240489 -1.104759574 LEU 18 h H 0.100
|
||
|
|
CD1 3.907000065 0.097000003 -1.633999944 LEU 18 c3 C -0.300
|
||
|
|
HD11 4.372385025 -0.676563323 -1.023166656 LEU 18 h H 0.100
|
||
|
|
HD12 3.089181185 0.555318415 -1.077927470 LEU 18 h H 0.100
|
||
|
|
HD13 3.518241882 -0.348654836 -2.549619913 LEU 18 h H 0.100
|
||
|
|
CD2 6.129000187 0.606000006 -2.767999887 LEU 18 c3 C -0.300
|
||
|
|
HD21 5.767732143 0.166402578 -3.697698832 LEU 18 h H 0.100
|
||
|
|
HD22 6.839241505 1.401178122 -2.994605541 LEU 18 h H 0.100
|
||
|
|
HD23 6.621874809 -0.161501810 -2.171245098 LEU 18 h H 0.100
|
||
|
|
N 3.328999996 4.795000076 -4.543000221 PRO 19 n N -0.420
|
||
|
|
CA 2.792000055 5.375999928 -5.796999931 PRO 19 ca C 0.060
|
||
|
|
HA 2.750592709 4.562232971 -6.520994663 PRO 19 h H 0.100
|
||
|
|
CD 2.421000004 4.940999985 -3.407999992 PRO 19 c2 C 0.060
|
||
|
|
HD1 2.893075705 5.502179623 -2.601574659 PRO 19 h H 0.100
|
||
|
|
HD2 2.129873276 3.967023134 -3.014662504 PRO 19 h H 0.100
|
||
|
|
C 3.572999954 6.539999962 -6.322000027 PRO 19 c' C 0.380
|
||
|
|
O 3.259999990 7.045000076 -7.421999931 PRO 19 o' O -0.380
|
||
|
|
CB 1.358000040 5.765999794 -5.472000122 PRO 19 c2 C -0.200
|
||
|
|
HB1 1.137144327 6.795158386 -5.755116940 PRO 19 h H 0.100
|
||
|
|
HB2 0.636163235 5.061525822 -5.885241508 PRO 19 h H 0.100
|
||
|
|
CG 1.223000050 5.693999767 -3.993000031 PRO 19 c2 C -0.200
|
||
|
|
HG1 1.192069173 6.702612400 -3.580879211 PRO 19 h H 0.100
|
||
|
|
HG2 0.303467065 5.167813301 -3.736705542 PRO 19 h H 0.100
|
||
|
|
N 4.565000057 7.046999931 -5.559000015 GLY 20 n N -0.500
|
||
|
|
HN 4.763685703 6.625352859 -4.640502453 GLY 20 hn H 0.280
|
||
|
|
CA 5.366000175 8.190999985 -6.018000126 GLY 20 cg C 0.020
|
||
|
|
HA1 6.411324024 7.914688587 -5.879978657 GLY 20 h H 0.100
|
||
|
|
HA2 5.204787731 8.272821426 -7.092902660 GLY 20 h H 0.100
|
||
|
|
C 5.006999969 9.480999947 -5.280000210 GLY 20 c' C 0.380
|
||
|
|
O 5.534999847 10.510000229 -5.730000019 GLY 20 o' O -0.380
|
||
|
|
N 4.181000233 9.437999725 -4.262000084 THR 21 n N -0.500
|
||
|
|
HN 3.805485964 8.521671295 -3.978747845 THR 21 hn H 0.280
|
||
|
|
CA 3.766999960 10.609000206 -3.513000011 THR 21 ca C 0.120
|
||
|
|
HA 3.186850548 11.287978172 -4.137912750 THR 21 h H 0.100
|
||
|
|
C 5.017000198 11.397000313 -3.042000055 THR 21 c' C 0.380
|
||
|
|
O 5.947000027 10.756999969 -2.523000002 THR 21 o' O -0.380
|
||
|
|
CB 2.992000103 10.187999725 -2.224999905 THR 21 c1 C -0.070
|
||
|
|
HB 3.722551346 9.746408463 -1.547215223 THR 21 h H 0.100
|
||
|
|
OG1 2.051000118 9.144000053 -2.622999907 THR 21 oh O -0.380
|
||
|
|
HG1 1.135602355 9.567562103 -2.831667185 THR 21 ho H 0.350
|
||
|
|
CG2 2.259999990 11.348999977 -1.550999999 THR 21 c3 C -0.300
|
||
|
|
HG21 1.741620898 10.986124992 -0.663473487 THR 21 h H 0.100
|
||
|
|
HG22 2.980043650 12.114913940 -1.262877345 THR 21 h H 0.100
|
||
|
|
HG23 1.535783529 11.774766922 -2.245502472 THR 21 h H 0.100
|
||
|
|
N 4.971000195 12.703000069 -3.176000118 PRO 22 n N -0.420
|
||
|
|
CA 6.143000126 13.512999535 -2.696000099 PRO 22 ca C 0.060
|
||
|
|
HA 7.038496494 13.344851494 -3.294257641 PRO 22 h H 0.100
|
||
|
|
CD 3.963999987 13.567000389 -3.811000109 PRO 22 c2 C 0.060
|
||
|
|
HD1 3.145355940 13.595741272 -3.091906309 PRO 22 h H 0.100
|
||
|
|
HD2 3.722736835 13.055393219 -4.742746353 PRO 22 h H 0.100
|
||
|
|
C 6.400000095 13.232999802 -1.225000024 PRO 22 c' C 0.380
|
||
|
|
O 5.485000134 13.060999870 -0.381999999 PRO 22 o' O -0.380
|
||
|
|
CB 5.703000069 14.968999863 -2.920000076 PRO 22 c2 C -0.200
|
||
|
|
HB1 5.180837631 15.406009674 -2.068842649 PRO 22 h H 0.100
|
||
|
|
HB2 6.486554623 15.606681824 -3.329272270 PRO 22 h H 0.100
|
||
|
|
CG 4.676000118 14.892999649 -3.996000051 PRO 22 c2 C -0.200
|
||
|
|
HG1 3.913127184 15.665482521 -3.899067879 PRO 22 h H 0.100
|
||
|
|
HG2 5.117558002 14.866248131 -4.992198467 PRO 22 h H 0.100
|
||
|
|
N 7.728000164 13.296999931 -0.921000004 GLU 23 n N -0.500
|
||
|
|
HN 8.435604095 13.473001480 -1.648475647 GLU 23 hn H 0.280
|
||
|
|
CA 8.114000320 13.102999687 0.500000000 GLU 23 ca C 0.120
|
||
|
|
HA 7.816065788 12.094260216 0.785972416 GLU 23 h H 0.100
|
||
|
|
C 7.427000046 14.072999954 1.409999967 GLU 23 c' C 0.380
|
||
|
|
O 7.035999775 13.682000160 2.539999962 GLU 23 o' O -0.380
|
||
|
|
CB 9.647999763 13.284999847 0.660000026 GLU 23 c2 C -0.200
|
||
|
|
HB1 9.905550957 14.228507996 0.178793058 GLU 23 h H 0.100
|
||
|
|
HB2 9.841214180 13.411215782 1.725287557 GLU 23 h H 0.100
|
||
|
|
CG 10.439999580 12.093000412 0.063000001 GLU 23 c2 C -0.200
|
||
|
|
HG1 9.979146957 11.185737610 0.453625947 GLU 23 h H 0.100
|
||
|
|
HG2 10.252198219 12.100539207 -1.010673165 GLU 23 h H 0.100
|
||
|
|
CD 11.940999985 12.170000076 0.391000003 GLU 23 c' C 0.380
|
||
|
|
OE1 12.416000366 13.225000381 0.680999994 GLU 23 o' O -0.350
|
||
|
|
OE2 12.538999557 11.069999695 0.291999996 GLU 23 oh O -0.380
|
||
|
|
HE2 11.852339745 10.318097115 0.136945918 GLU 23 ho H 0.350
|
||
|
|
N 7.211999893 15.333999634 0.966000021 ALA 24 n N -0.500
|
||
|
|
HN 7.454528332 15.605654716 0.002525384 ALA 24 hn H 0.280
|
||
|
|
CA 6.613999844 16.316999435 1.912999988 ALA 24 ca C 0.120
|
||
|
|
HA 7.281579018 16.350204468 2.774008274 ALA 24 h H 0.100
|
||
|
|
C 5.211999893 15.935999870 2.349999905 ALA 24 c' C 0.380
|
||
|
|
O 4.782000065 16.166000366 3.494999886 ALA 24 o' O -0.380
|
||
|
|
CB 6.605000019 17.694999695 1.246000051 ALA 24 c3 C -0.300
|
||
|
|
HB1 6.237848759 18.439016342 1.952922821 ALA 24 h H 0.100
|
||
|
|
HB2 7.617130280 17.956361771 0.937162876 ALA 24 h H 0.100
|
||
|
|
HB3 5.953601360 17.672107697 0.372354269 ALA 24 h H 0.100
|
||
|
|
N 4.445000172 15.317999840 1.404999971 ILE 25 n N -0.500
|
||
|
|
HN 4.817237854 15.149471283 0.459517360 ILE 25 hn H 0.280
|
||
|
|
CA 3.073999882 14.894000053 1.756000042 ILE 25 ca C 0.120
|
||
|
|
HA 2.651019573 15.738821983 2.299565554 ILE 25 h H 0.100
|
||
|
|
C 3.085000038 13.642999649 2.644999981 ILE 25 c' C 0.380
|
||
|
|
O 2.315000057 13.522999763 3.578000069 ILE 25 o' O -0.380
|
||
|
|
CB 2.203999996 14.637000084 0.462000012 ILE 25 c1 C -0.100
|
||
|
|
HB 2.766484499 14.064008713 -0.275151134 ILE 25 h H 0.100
|
||
|
|
CG1 1.815000057 16.048000336 -0.128999993 ILE 25 c2 C -0.200
|
||
|
|
HG11 2.730222702 16.635150909 -0.204643890 ILE 25 h H 0.100
|
||
|
|
HG12 1.443681121 15.888158798 -1.141261339 ILE 25 h H 0.100
|
||
|
|
CG2 0.902999997 13.864000320 0.810999990 ILE 25 c3 C -0.300
|
||
|
|
HG21 0.304098606 13.734000206 -0.090398379 ILE 25 h H 0.100
|
||
|
|
HG22 1.159095764 12.886850357 1.220502138 ILE 25 h H 0.100
|
||
|
|
HG23 0.331401974 14.427850723 1.548189402 ILE 25 h H 0.100
|
||
|
|
CD1 0.755999982 16.760999680 0.757000029 ILE 25 c3 C -0.300
|
||
|
|
HD11 1.158126354 16.905153275 1.759802103 ILE 25 h H 0.100
|
||
|
|
HD12 0.510290921 17.729721069 0.321907312 ILE 25 h H 0.100
|
||
|
|
HD13 -0.144283146 16.148948669 0.811632454 ILE 25 h H 0.100
|
||
|
|
N 4.032000065 12.763999939 2.312999964 CYS 26 n N -0.500
|
||
|
|
HN 4.636651039 12.911288261 1.492266655 CYS 26 hn H 0.280
|
||
|
|
CA 4.179999828 11.548999786 3.187000036 CYS 26 ca C 0.120
|
||
|
|
HA 3.168948889 11.146821976 3.251257181 CYS 26 h H 0.100
|
||
|
|
C 4.631999969 11.944000244 4.596000195 CYS 26 c' C 0.380
|
||
|
|
O 4.227000237 11.251999855 5.546999931 CYS 26 o' O -0.380
|
||
|
|
CB 5.038000107 10.517999649 2.539000034 CYS 26 c2 C -0.300
|
||
|
|
HB1 5.986673355 10.992624283 2.288298368 CYS 26 h H 0.100
|
||
|
|
HB2 5.186637402 9.715300560 3.261275530 CYS 26 h H 0.100
|
||
|
|
SG 4.348999977 9.793999672 1.021999955 CYS 26 s1 S 0.100
|
||
|
|
N 5.407999992 13.012000084 4.693999767 ALA 27 n N -0.500
|
||
|
|
HN 5.691634178 13.513016701 3.839930773 ALA 27 hn H 0.280
|
||
|
|
CA 5.879000187 13.501999855 6.026000023 ALA 27 ca C 0.120
|
||
|
|
HA 6.445541859 12.670074463 6.444367886 ALA 27 h H 0.100
|
||
|
|
C 4.696000099 13.907999992 6.881999969 ALA 27 c' C 0.380
|
||
|
|
O 4.527999878 13.421999931 8.024999619 ALA 27 o' O -0.380
|
||
|
|
CB 6.880000114 14.614999771 5.829999924 ALA 27 c3 C -0.300
|
||
|
|
HB1 7.267490864 14.930619240 6.798676968 ALA 27 h H 0.100
|
||
|
|
HB2 7.702079296 14.259757042 5.208639622 ALA 27 h H 0.100
|
||
|
|
HB3 6.394177914 15.459349632 5.340969563 ALA 27 h H 0.100
|
||
|
|
N 3.826999903 14.802000046 6.357999802 THR 28 n N -0.500
|
||
|
|
HN 3.955853701 15.176399231 5.407146454 THR 28 hn H 0.280
|
||
|
|
CA 2.690999985 15.220999718 7.193999767 THR 28 ca C 0.120
|
||
|
|
HA 3.191283464 15.484881401 8.125762939 THR 28 h H 0.100
|
||
|
|
C 1.672000051 14.131999969 7.434000015 THR 28 c' C 0.380
|
||
|
|
O 0.947000027 14.112000465 8.468000412 THR 28 o' O -0.380
|
||
|
|
CB 1.985999942 16.520000458 6.613999844 THR 28 c1 C -0.070
|
||
|
|
HB 1.055821180 16.708566666 7.150013447 THR 28 h H 0.100
|
||
|
|
OG1 1.664000034 16.221000671 5.230000019 THR 28 oh O -0.380
|
||
|
|
HG1 1.387834191 17.087430954 4.746335030 THR 28 ho H 0.350
|
||
|
|
CG2 2.914000034 17.739000320 6.699999809 THR 28 c3 C -0.300
|
||
|
|
HG21 2.420290470 18.604087830 6.257310867 THR 28 h H 0.100
|
||
|
|
HG22 3.144372940 17.947925568 7.744690895 THR 28 h H 0.100
|
||
|
|
HG23 3.837480545 17.532133102 6.159175873 THR 28 h H 0.100
|
||
|
|
N 1.621000051 13.189999580 6.511000156 TYR 29 n N -0.500
|
||
|
|
HN 2.223951578 13.259345055 5.678810120 TYR 29 hn H 0.280
|
||
|
|
CA 0.714999974 12.045000076 6.657000065 TYR 29 ca C 0.120
|
||
|
|
HA -0.294524491 12.413607597 6.838903904 TYR 29 h H 0.100
|
||
|
|
C 1.125000000 11.125000000 7.815000057 TYR 29 c' C 0.380
|
||
|
|
O 0.286000013 10.631999969 8.545000076 TYR 29 o' O -0.380
|
||
|
|
CB 0.754999995 11.229000092 5.322000027 TYR 29 c2 C -0.200
|
||
|
|
HB1 0.514248192 11.922528267 4.516296864 TYR 29 h H 0.100
|
||
|
|
HB2 1.786919236 10.911371231 5.172484398 TYR 29 h H 0.100
|
||
|
|
CG -0.202999994 10.043999672 5.354000092 TYR 29 cp C 0.000
|
||
|
|
CD1 -1.547000051 10.336999893 5.644999981 TYR 29 cp C -0.100
|
||
|
|
HD1 -1.844175816 11.365451813 5.850120068 TYR 29 h H 0.100
|
||
|
|
CD2 0.193000004 8.750000000 5.099999905 TYR 29 cp C -0.100
|
||
|
|
HD2 1.231727839 8.520407677 4.862445831 TYR 29 h H 0.100
|
||
|
|
CE1 -2.496000051 9.329000473 5.672999859 TYR 29 cp C -0.100
|
||
|
|
HE1 -3.542724609 9.551148415 5.880649567 TYR 29 h H 0.100
|
||
|
|
CE2 -0.800999999 7.704999924 5.156000137 TYR 29 cp C -0.100
|
||
|
|
HE2 -0.521442473 6.666428089 4.979036331 TYR 29 h H 0.100
|
||
|
|
CZ -2.078999996 8.031000137 5.429999828 TYR 29 cp C 0.030
|
||
|
|
OH -3.096999884 7.057000160 5.458000183 TYR 29 oh O -0.380
|
||
|
|
HH -4.016462326 7.520978928 5.472573757 TYR 29 ho H 0.350
|
||
|
|
N 2.470000029 10.984000206 7.994999886 THR 30 n N -0.500
|
||
|
|
HN 3.124760151 11.572608948 7.460463524 THR 30 hn H 0.280
|
||
|
|
CA 2.986000061 9.994000435 8.949999809 THR 30 ca C 0.120
|
||
|
|
HA 2.109365702 9.410336494 9.230978012 THR 30 h H 0.100
|
||
|
|
C 3.608999968 10.505000114 10.229999542 THR 30 c' C 0.380
|
||
|
|
O 3.766000032 9.715000153 11.185999870 THR 30 o' O -0.380
|
||
|
|
CB 4.076000214 9.102999687 8.225000381 THR 30 c1 C -0.070
|
||
|
|
HB 4.516047001 8.447491646 8.976511002 THR 30 h H 0.100
|
||
|
|
OG1 5.125000000 10.027000427 7.823999882 THR 30 oh O -0.380
|
||
|
|
HG1 5.989885330 9.809993744 8.339540482 THR 30 ho H 0.350
|
||
|
|
CG2 3.493000031 8.324000359 7.034999847 THR 30 c3 C -0.300
|
||
|
|
HG21 4.283595562 7.746788025 6.555538177 THR 30 h H 0.100
|
||
|
|
HG22 2.714145184 7.648486614 7.388787270 THR 30 h H 0.100
|
||
|
|
HG23 3.067262888 9.023551941 6.315641403 THR 30 h H 0.100
|
||
|
|
N 3.983999968 11.763999939 10.241000175 GLY 31 n N -0.500
|
||
|
|
HN 3.725119591 12.370410919 9.449706078 GLY 31 hn H 0.280
|
||
|
|
CA 4.769000053 12.336000443 11.359999657 GLY 31 cg C 0.020
|
||
|
|
HA1 4.444449425 13.369131088 11.484130859 GLY 31 h H 0.100
|
||
|
|
HA2 4.479221344 11.798232079 12.262736320 GLY 31 h H 0.100
|
||
|
|
C 6.255000114 12.243000031 11.105999947 GLY 31 c' C 0.380
|
||
|
|
O 7.037000179 12.750000000 11.954000473 GLY 31 o' O -0.380
|
||
|
|
N 6.710000038 11.630999565 9.991999626 CYS 32 n N -0.500
|
||
|
|
HN 6.054100990 11.116460800 9.387064934 CYS 32 hn H 0.280
|
||
|
|
CA 8.140000343 11.694000244 9.635000229 CYS 32 ca C 0.120
|
||
|
|
HA 8.678412437 11.410507202 10.539347649 CYS 32 h H 0.100
|
||
|
|
C 8.500000000 13.140999794 9.206000328 CYS 32 c' C 0.380
|
||
|
|
O 7.580999851 13.949000359 8.944000244 CYS 32 o' O -0.380
|
||
|
|
CB 8.503999710 10.685999870 8.529999733 CYS 32 c2 C -0.300
|
||
|
|
HB1 7.987734795 10.995699883 7.621343136 CYS 32 h H 0.100
|
||
|
|
HB2 9.584586143 10.726516724 8.392916679 CYS 32 h H 0.100
|
||
|
|
SG 8.048000336 8.987000465 8.880999565 CYS 32 s1 S 0.100
|
||
|
|
N 9.793000221 13.409999847 9.173000336 ILE 33 n N -0.500
|
||
|
|
HN 10.471553802 12.667460442 9.394585609 ILE 33 hn H 0.280
|
||
|
|
CA 10.279999733 14.760000229 8.822999954 ILE 33 ca C 0.120
|
||
|
|
HA 9.389740944 15.283022881 8.473735809 ILE 33 h H 0.100
|
||
|
|
C 11.345999718 14.657999992 7.743000031 ILE 33 c' C 0.380
|
||
|
|
O 11.970999718 13.583000183 7.552000046 ILE 33 o' O -0.380
|
||
|
|
CB 10.789999962 15.534999847 10.085000038 ILE 33 c1 C -0.100
|
||
|
|
HB 11.123229027 16.501873016 9.707884789 ILE 33 h H 0.100
|
||
|
|
CG1 12.059000015 14.803000450 10.670999527 ILE 33 c2 C -0.200
|
||
|
|
HG11 11.743847847 13.842393875 11.078448296 ILE 33 h H 0.100
|
||
|
|
HG12 12.756343842 14.617484093 9.854057312 ILE 33 h H 0.100
|
||
|
|
CG2 9.684000015 15.685999870 11.137999535 ILE 33 c3 C -0.300
|
||
|
|
HG21 10.058896065 16.270494461 11.978191376 ILE 33 h H 0.100
|
||
|
|
HG22 8.827452660 16.194667816 10.695638657 ILE 33 h H 0.100
|
||
|
|
HG23 9.378940582 14.700247765 11.489184380 ILE 33 h H 0.100
|
||
|
|
CD1 12.732999802 15.675999641 11.781000137 ILE 33 c3 C -0.300
|
||
|
|
HD11 12.021772385 15.850844383 12.588270187 ILE 33 h H 0.100
|
||
|
|
HD12 13.606328964 15.155009270 12.173381805 ILE 33 h H 0.100
|
||
|
|
HD13 13.041068077 16.631135941 11.355658531 ILE 33 h H 0.100
|
||
|
|
N 11.489999771 15.772999763 7.038000107 ILE 34 n N -0.500
|
||
|
|
HN 10.853153229 16.566915512 7.196191311 ILE 34 hn H 0.280
|
||
|
|
CA 12.552000046 15.876999855 6.035999775 ILE 34 ca C 0.120
|
||
|
|
HA 13.043725967 14.912866592 5.906565666 ILE 34 h H 0.100
|
||
|
|
C 13.590000153 16.916999817 6.559999943 ILE 34 c' C 0.380
|
||
|
|
O 13.168000221 18.006000519 6.945000172 ILE 34 o' O -0.380
|
||
|
|
CB 11.987000465 16.360000610 4.681000233 ILE 34 c1 C -0.100
|
||
|
|
HB 11.502662659 17.321004868 4.854168892 ILE 34 h H 0.100
|
||
|
|
CG1 10.913999557 15.338000298 4.163000107 ILE 34 c2 C -0.200
|
||
|
|
HG11 11.380437851 14.426782608 3.788544178 ILE 34 h H 0.100
|
||
|
|
HG12 10.170696259 15.118617058 4.929467201 ILE 34 h H 0.100
|
||
|
|
CG2 13.130999565 16.517000198 3.628999949 ILE 34 c3 C -0.300
|
||
|
|
HG21 12.714348793 16.881505966 2.690041304 ILE 34 h H 0.100
|
||
|
|
HG22 13.869889259 17.228136063 3.998366594 ILE 34 h H 0.100
|
||
|
|
HG23 13.608166695 15.551076889 3.463472128 ILE 34 h H 0.100
|
||
|
|
CD1 10.151000023 16.024000168 2.937999964 ILE 34 c3 C -0.300
|
||
|
|
HD11 10.865941048 16.258329391 2.149300337 ILE 34 h H 0.100
|
||
|
|
HD12 9.395269394 15.340338707 2.551244020 ILE 34 h H 0.100
|
||
|
|
HD13 9.670580864 16.941936493 3.276658058 ILE 34 h H 0.100
|
||
|
|
N 14.855999947 16.493000031 6.535999775 ILE 35 n N -0.500
|
||
|
|
HN 15.087069511 15.531770706 6.246958256 ILE 35 hn H 0.280
|
||
|
|
CA 15.930000305 17.454000473 6.940999985 ILE 35 ca C 0.120
|
||
|
|
HA 15.448633194 18.412040710 7.137327194 ILE 35 h H 0.100
|
||
|
|
C 16.913000107 17.549999237 5.818999767 ILE 35 c' C 0.380
|
||
|
|
O 17.097000122 16.659999847 4.969999790 ILE 35 o' O -0.380
|
||
|
|
CB 16.621999741 16.995000839 8.284999847 ILE 35 c1 C -0.100
|
||
|
|
HB 17.372821808 17.751832962 8.512095451 ILE 35 h H 0.100
|
||
|
|
CG1 17.360000610 15.651000023 8.067000389 ILE 35 c2 C -0.200
|
||
|
|
HG11 16.597890854 14.882443428 7.938127518 ILE 35 h H 0.100
|
||
|
|
HG12 17.962522507 15.757192612 7.164896488 ILE 35 h H 0.100
|
||
|
|
CG2 15.592000008 16.974000931 9.434000015 ILE 35 c3 C -0.300
|
||
|
|
HG21 16.095645905 16.731447220 10.369737625 ILE 35 h H 0.100
|
||
|
|
HG22 15.121275902 17.953468323 9.518616676 ILE 35 h H 0.100
|
||
|
|
HG23 14.830537796 16.222230911 9.226348877 ILE 35 h H 0.100
|
||
|
|
CD1 18.298000336 15.206000328 9.218999863 ILE 35 c3 C -0.300
|
||
|
|
HD11 17.719526291 15.091951370 10.135765076 ILE 35 h H 0.100
|
||
|
|
HD12 18.762899399 14.254055977 8.962544441 ILE 35 h H 0.100
|
||
|
|
HD13 19.071800232 15.958778381 9.369535446 ILE 35 h H 0.100
|
||
|
|
N 17.663999557 18.669000626 5.806000233 PRO 36 n N -0.420
|
||
|
|
CA 18.635000229 18.861000061 4.737999916 PRO 36 ca C 0.060
|
||
|
|
HA 18.191711426 18.625682831 3.770414352 PRO 36 h H 0.100
|
||
|
|
CD 17.371000290 19.899999619 6.596000195 PRO 36 c2 C 0.060
|
||
|
|
HD1 17.637220383 19.770334244 7.645006180 PRO 36 h H 0.100
|
||
|
|
HD2 16.312007904 20.154773712 6.554459572 PRO 36 h H 0.100
|
||
|
|
C 19.924999237 18.041999817 4.948999882 PRO 36 c' C 0.380
|
||
|
|
O 20.593000412 17.742000580 3.944999933 PRO 36 o' O -0.380
|
||
|
|
CB 18.944999695 20.364000320 4.782999992 PRO 36 c2 C -0.200
|
||
|
|
HB1 20.011636734 20.533958435 4.929625034 PRO 36 h H 0.100
|
||
|
|
HB2 18.596609116 20.857370377 3.875635624 PRO 36 h H 0.100
|
||
|
|
CG 18.238000870 20.937000275 5.907999992 PRO 36 c2 C -0.200
|
||
|
|
HG1 18.980670929 21.346309662 6.592840672 PRO 36 h H 0.100
|
||
|
|
HG2 17.637973785 21.766929626 5.534794807 PRO 36 h H 0.100
|
||
|
|
N 20.172000885 17.729999542 6.217000008 GLY 37 n N -0.500
|
||
|
|
HN 19.520402908 17.994186401 6.969678879 GLY 37 hn H 0.280
|
||
|
|
CA 21.451999664 16.968999863 6.513000011 GLY 37 cg C 0.020
|
||
|
|
HA1 22.220170975 17.196077347 5.773777485 GLY 37 h H 0.100
|
||
|
|
HA2 21.806970596 17.180898666 7.521560192 GLY 37 h H 0.100
|
||
|
|
C 21.142999649 15.477999687 6.427000046 GLY 37 c' C 0.380
|
||
|
|
O 20.138000488 15.022999763 5.877999783 GLY 37 o' O -0.380
|
||
|
|
N 22.055000305 14.701000214 7.032000065 ALA 38 n N -0.500
|
||
|
|
HN 22.826601028 15.162067413 7.534940720 ALA 38 hn H 0.280
|
||
|
|
CA 22.018999100 13.241999626 7.019999981 ALA 38 ca C 0.120
|
||
|
|
HA 21.118928909 12.994981766 6.457010269 ALA 38 h H 0.100
|
||
|
|
C 21.944000244 12.628000259 8.395999908 ALA 38 c' C 0.380
|
||
|
|
O 21.868999481 11.387000084 8.435000420 ALA 38 o' O -0.380
|
||
|
|
CB 23.246000290 12.696999550 6.275000095 ALA 38 c3 C -0.300
|
||
|
|
HB1 23.164216995 11.613998413 6.182674408 ALA 38 h H 0.100
|
||
|
|
HB2 23.296331406 13.143034935 5.281710148 ALA 38 h H 0.100
|
||
|
|
HB3 24.149721146 12.946521759 6.830985546 ALA 38 h H 0.100
|
||
|
|
N 21.893999100 13.435000420 9.435999870 THR 39 n N -0.500
|
||
|
|
HN 21.824220657 14.451409340 9.284524918 THR 39 hn H 0.280
|
||
|
|
CA 21.936000824 12.911000252 10.809000015 THR 39 ca C 0.120
|
||
|
|
HA 22.114582062 11.836632729 10.764920235 THR 39 h H 0.100
|
||
|
|
C 20.614999771 13.190999985 11.520999908 THR 39 c' C 0.380
|
||
|
|
O 20.357000351 14.317000389 11.947999954 THR 39 o' O -0.380
|
||
|
|
CB 23.131000519 13.600999832 11.593000412 THR 39 c1 C -0.070
|
||
|
|
HB 22.981323242 14.676721573 11.685302734 THR 39 h H 0.100
|
||
|
|
OG1 24.284000397 13.401000023 10.708999634 THR 39 oh O -0.380
|
||
|
|
HG1 24.421899796 14.240586281 10.128500938 THR 39 ho H 0.350
|
||
|
|
CG2 23.340000153 12.935000420 12.961999893 THR 39 c3 C -0.300
|
||
|
|
HG21 24.219049454 13.362584114 13.444229126 THR 39 h H 0.100
|
||
|
|
HG22 22.463815689 13.106077194 13.587406158 THR 39 h H 0.100
|
||
|
|
HG23 23.485591888 11.863260269 12.826802254 THR 39 h H 0.100
|
||
|
|
N 19.826999664 12.109999657 11.642000198 CYS 40 n N -0.500
|
||
|
|
HN 20.122940063 11.185415268 11.297814369 CYS 40 hn H 0.280
|
||
|
|
CA 18.503999710 12.312000275 12.298000336 CYS 40 ca C 0.120
|
||
|
|
HA 18.057098389 13.220839500 11.895023346 CYS 40 h H 0.100
|
||
|
|
C 18.684000015 12.451000214 13.784000397 CYS 40 c' C 0.380
|
||
|
|
O 19.533000946 11.718000412 14.362000465 CYS 40 o' O -0.380
|
||
|
|
CB 17.582000732 11.116999626 11.996000290 CYS 40 c2 C -0.300
|
||
|
|
HB1 18.086227417 10.251184464 12.425209045 CYS 40 h H 0.100
|
||
|
|
HB2 16.700305939 11.271791458 12.617895126 CYS 40 h H 0.100
|
||
|
|
SG 17.198999405 10.928999901 10.237000465 CYS 40 s1 S 0.100
|
||
|
|
N 17.879999161 13.265999794 14.425999641 PRO 41 n N -0.420
|
||
|
|
CA 17.923999786 13.420999527 15.876999855 PRO 41 ca C 0.060
|
||
|
|
HA 18.941534042 13.662834167 16.183986664 PRO 41 h H 0.100
|
||
|
|
CD 16.858999252 14.149999619 13.779000282 PRO 41 c2 C 0.060
|
||
|
|
HD1 16.215919495 13.587250710 13.102345467 PRO 41 h H 0.100
|
||
|
|
HD2 17.329374313 14.943244934 13.197958946 PRO 41 h H 0.100
|
||
|
|
C 17.392000198 12.206000328 16.593999863 PRO 41 c' C 0.380
|
||
|
|
O 16.652000427 11.368000031 16.033000946 PRO 41 o' O -0.380
|
||
|
|
CB 17.076000214 14.657999992 16.145000458 PRO 41 c2 C -0.200
|
||
|
|
HB1 16.444255829 14.584781647 17.030233383 PRO 41 h H 0.100
|
||
|
|
HB2 17.617696762 15.599854469 16.057970047 PRO 41 h H 0.100
|
||
|
|
CG 16.097999573 14.689000130 14.996999741 PRO 41 c2 C -0.200
|
||
|
|
HG1 15.253420830 14.016077042 15.145191193 PRO 41 h H 0.100
|
||
|
|
HG2 15.789084435 15.700772285 14.734343529 PRO 41 h H 0.100
|
||
|
|
N 17.728000641 12.123999596 17.884000778 GLY 42 n N -0.500
|
||
|
|
HN 18.268247604 12.885299683 18.319267273 GLY 42 hn H 0.280
|
||
|
|
CA 17.333999634 10.956000328 18.690999985 GLY 42 cg C 0.020
|
||
|
|
HA1 17.766984940 10.084270477 18.200376511 GLY 42 h H 0.100
|
||
|
|
HA2 17.761390686 11.109748840 19.681858063 GLY 42 h H 0.100
|
||
|
|
C 15.875000000 10.687999725 18.871000290 GLY 42 c' C 0.380
|
||
|
|
O 15.434000015 9.550000191 19.166000366 GLY 42 o' O -0.380
|
||
|
|
N 15.036000252 11.746999741 18.715000153 ASP 43 n N -0.500
|
||
|
|
HN 15.424054146 12.679033279 18.510971069 ASP 43 hn H 0.280
|
||
|
|
CA 13.564000130 11.572999954 18.836000443 ASP 43 ca C 0.120
|
||
|
|
HA 13.474464417 10.696401596 19.477605820 ASP 43 h H 0.100
|
||
|
|
C 12.935999870 11.227000237 17.469999313 ASP 43 c' C 0.380
|
||
|
|
O 11.720000267 11.039999962 17.427999496 ASP 43 o' O -0.380
|
||
|
|
CB 12.932999611 12.737000465 19.579999924 ASP 43 c2 C -0.200
|
||
|
|
HB1 11.860553741 12.547567368 19.625556946 ASP 43 h H 0.100
|
||
|
|
HB2 13.367670059 12.754883766 20.579420090 ASP 43 h H 0.100
|
||
|
|
CG 13.140000343 14.093999863 18.958000183 ASP 43 c' C 0.380
|
||
|
|
OD1 14.109000206 14.303000450 18.211999893 ASP 43 o' O -0.350
|
||
|
|
OD2 12.267000198 14.963000298 19.264999390 ASP 43 oh O -0.380
|
||
|
|
HD2 12.695192337 15.899699211 19.252908707 ASP 43 ho H 0.350
|
||
|
|
N 13.725000381 11.173999786 16.424999237 TYR 44 n N -0.500
|
||
|
|
HN 14.713005066 11.441411018 16.540052414 TYR 44 hn H 0.280
|
||
|
|
CA 13.256999969 10.744999886 15.081000328 TYR 44 ca C 0.120
|
||
|
|
HA 12.264418602 10.301728249 15.160951614 TYR 44 h H 0.100
|
||
|
|
C 14.274999619 9.687000275 14.612000465 TYR 44 c' C 0.380
|
||
|
|
O 14.930000305 9.862000465 13.567999840 TYR 44 o' O -0.380
|
||
|
|
CB 13.199999809 11.913999557 14.071000099 TYR 44 c2 C -0.200
|
||
|
|
HB1 14.121270180 12.493051529 14.134719849 TYR 44 h H 0.100
|
||
|
|
HB2 13.091276169 11.516075134 13.062071800 TYR 44 h H 0.100
|
||
|
|
CG 12.000000000 12.819000244 14.399000168 TYR 44 cp C 0.000
|
||
|
|
CD1 12.119000435 13.852999687 15.331999779 TYR 44 cp C -0.100
|
||
|
|
HD1 13.067806244 14.011770248 15.844503403 TYR 44 h H 0.100
|
||
|
|
CD2 10.774999619 12.616999626 13.762000084 TYR 44 cp C -0.100
|
||
|
|
HD2 10.673528671 11.813380241 13.032616615 TYR 44 h H 0.100
|
||
|
|
CE1 11.045000076 14.675000191 15.609999657 TYR 44 cp C -0.100
|
||
|
|
HE1 11.163392067 15.500525475 16.311847687 TYR 44 h H 0.100
|
||
|
|
CE2 9.675999641 13.432999611 14.048000336 TYR 44 cp C -0.100
|
||
|
|
HE2 8.726944923 13.273748398 13.536108017 TYR 44 h H 0.100
|
||
|
|
CZ 9.802000046 14.456000328 14.996000290 TYR 44 cp C 0.030
|
||
|
|
OH 8.739999771 15.265000343 15.269000053 TYR 44 oh O -0.380
|
||
|
|
HH 9.048466682 16.247716904 15.272980690 TYR 44 ho H 0.350
|
||
|
|
N 14.342000008 8.640000343 15.421999931 ALA 45 n N -0.500
|
||
|
|
HN 13.638368607 8.505084991 16.162000656 ALA 45 hn H 0.280
|
||
|
|
CA 15.444999695 7.666999817 15.246000290 ALA 45 ca C 0.120
|
||
|
|
HA 16.332574844 8.216528893 14.932426453 ALA 45 h H 0.100
|
||
|
|
C 15.170999527 6.532999992 14.279999733 ALA 45 c' C 0.380
|
||
|
|
O 16.093000412 5.704999924 14.038999557 ALA 45 o' O -0.380
|
||
|
|
CB 15.680000305 7.098999977 16.681999207 ALA 45 c3 C -0.300
|
||
|
|
HB1 16.535034180 6.423069000 16.670495987 ALA 45 h H 0.100
|
||
|
|
HB2 15.876356125 7.920741558 17.370683670 ALA 45 h H 0.100
|
||
|
|
HB3 14.792826653 6.556271553 17.008296967 ALA 45 h H 0.100
|
||
|
|
N 13.965999603 6.501999855 13.739000320 ASNC 46 n N -0.500
|
||
|
|
HN 13.318986893 7.281283855 13.926057816 ASNC 46 hn H 0.280
|
||
|
|
CA 13.512000084 5.394999981 12.878000259 ASNC 46 ca C 0.120
|
||
|
|
HA 14.292015076 4.641647816 12.988171577 ASNC 46 h H 0.100
|
||
|
|
C 13.310999870 5.853000164 11.454999924 ASNC 46 c- C 0.140
|
||
|
|
O 13.732999802 6.928999901 11.026000023 ASNC 46 o- O -0.570
|
||
|
|
OXT 12.703000069 4.973000050 10.746000290 ASNC 46 o- O -0.570
|
||
|
|
CB 12.265999794 4.769000053 13.501000404 ASNC 46 c2 C -0.200
|
||
|
|
HB1 11.471806526 5.515164375 13.476576805 ASNC 46 h H 0.100
|
||
|
|
HB2 11.959742546 3.937092304 12.866779327 ASNC 46 h H 0.100
|
||
|
|
CG 12.538000107 4.303999901 14.921999931 ASNC 46 c' C 0.380
|
||
|
|
OD1 11.982000351 4.848999977 15.885999680 ASNC 46 o' O -0.380
|
||
|
|
ND2 13.406999588 3.298000097 15.015000343 ASNC 46 n2 N -0.560
|
||
|
|
HD21 13.826193810 2.899175167 14.162875175 ASNC 46 hn H 0.280
|
||
|
|
HD22 13.659525871 2.919377804 15.938999176 ASNC 46 hn H 0.280
|
||
|
|
end
|
||
|
|
end
|
||
|
|
|