REMA TITL HPH-Pep-Cu(II) 6TH Z=8 P43212 REMA CELL 1.5418 16.854 16.854 19.8239 90.0 90.0 90. REMA ZERR 8 0.005 0.005 0.009 0. 0. 0. REMA LATT -1 REMA SYMM -X,-Y,0.5+Z REMA SYMM 0.5-Y,0.5+X,0.75+Z REMA SYMM 0.5+Y,0.5-X,0.25+Z REMA SYMM 0.5-X,0.5+Y,0.75-Z REMA SYMM 0.5+X,0.5-Y,0.25-Z REMA SYMM Y,X,-Z REMA SYMM -Y,-X,0.5-Z REMA SFAC C H N O CU REMA UNIT 184 200 48 56 8 REMA WGHT 0.157400 7.353100 REMA FVAR 1.83222 REMARK File generated by Swiss-PdbViewer 3.60b2 REMARK http://www.expasy.ch/spdbv/mainpage.htm CRYST1 16.854 16.854 19.824 90.00 90.00 90.00 P 1 8 HETATM 1 WPDB AAA 1 0.000 0.000 0.000 1.00 3.95 HETATM 2 CU AAA 1 5.076 0.496 4.897 1.00 3.51 HETATM 3 N1 AAA 1 4.461 -1.044 3.912 1.00 3.40 HETATM 4 C2 AAA 1 4.970 -2.253 4.223 1.00 3.47 HETATM 5 C3 AAA 1 4.524 -3.377 3.585 1.00 3.89 HETATM 6 H3 AAA 1 4.861 -4.215 3.805 1.00 3.95 HETATM 7 C4 AAA 1 3.557 -3.238 2.603 1.00 4.66 HETATM 8 H4 AAA 1 3.230 -3.992 2.167 1.00 3.95 HETATM 9 C5 AAA 1 3.079 -2.001 2.268 1.00 4.56 HETATM 10 H5 AAA 1 2.435 -1.908 1.604 1.00 3.95 HETATM 11 C6 AAA 1 3.574 -0.870 2.945 1.00 3.66 HETATM 12 C7 AAA 1 5.992 -2.172 5.317 1.00 3.23 HETATM 13 O7 AAA 1 6.592 -3.202 5.672 1.00 4.54 HETATM 14 N8 AAA 1 6.135 -0.943 5.799 1.00 3.64 HETATM 15 C9 AAA 1 7.205 -0.782 6.807 1.00 3.75 HETATM 16 H9 AAA 1 8.054 -1.092 6.427 1.00 3.95 HETATM 17 C9A AAA 1 6.928 -1.532 8.036 1.00 3.90 HETATM 18 O9B AAA 1 5.855 -1.813 8.505 1.00 4.99 HETATM 19 O9C AAA 1 8.073 -1.843 8.682 1.00 3.33 HETATM 20 C9D AAA 1 7.986 -2.518 9.938 1.00 6.24 HETATM 21 H91 AAA 1 7.718 -1.895 10.618 1.00 3.95 HETATM 22 H92 AAA 1 8.842 -2.889 10.162 1.00 3.95 HETATM 23 H93 AAA 1 7.337 -3.224 9.877 1.00 3.95 HETATM 24 C10 AAA 1 7.331 0.709 7.176 1.00 4.02 HETATM 25 H11 AAA 1 6.518 0.989 7.626 1.00 3.95 HETATM 26 H12 AAA 1 8.064 0.814 7.803 1.00 3.95 HETATM 27 C11 AAA 1 7.569 1.619 5.997 1.00 4.09 HETATM 28 N12 AAA 1 6.687 1.725 4.963 1.00 3.97 HETATM 29 C13 AAA 1 7.152 2.677 4.182 1.00 4.89 HETATM 30 H13 AAA 1 6.718 2.987 3.420 1.00 3.95 HETATM 31 N14 AAA 1 8.345 3.148 4.629 1.00 5.74 HETATM 32 H14 AAA 1 8.821 3.762 4.259 1.00 3.95 HETATM 33 C15 AAA 1 8.646 2.475 5.764 1.00 5.05 HETATM 34 H15 AAA 1 9.414 2.564 6.282 1.00 3.95 HETATM 35 C7' AAA 1 3.170 0.543 2.768 1.00 4.25 HETATM 36 O7' AAA 1 2.284 0.827 1.910 1.00 5.73 HETATM 37 N8' AAA 1 3.770 1.348 3.602 1.00 4.05 HETATM 38 C9' AAA 1 3.256 2.721 3.667 1.00 4.31 HETATM 39 H9' AAA 1 2.281 2.682 3.567 1.00 3.95 HETATM 40 CA' AAA 1 3.790 3.573 2.581 1.00 4.95 HETATM 41 OB' AAA 1 4.757 3.358 1.892 1.00 7.16 HETATM 42 OC' AAA 1 3.070 4.712 2.467 1.00 7.10 HETATM 43 CD' AAA 1 3.480 5.630 1.485 1.00 7.77 HETATM 44 H94 AAA 1 4.438 5.632 1.429 1.00 3.95 HETATM 45 H95 AAA 1 3.172 6.508 1.720 1.00 3.95 HETATM 46 H96 AAA 1 3.110 5.377 0.636 1.00 3.95 HETATM 47 C10'AAA 1 3.567 3.339 5.043 1.00 4.60 HETATM 48 H1A AAA 1 4.518 3.520 5.100 1.00 3.95 HETATM 49 H1B AAA 1 3.099 4.185 5.122 1.00 3.95 HETATM 50 C11'AAA 1 3.177 2.471 6.162 1.00 4.00 HETATM 51 N12'AAA 1 3.858 1.289 6.440 1.00 4.03 HETATM 52 C13'AAA 1 3.319 0.744 7.458 1.00 5.01 HETATM 53 H13'AAA 1 3.590 -0.054 7.850 1.00 3.95 HETATM 54 N14'AAA 1 2.260 1.535 7.888 1.00 4.51 HETATM 55 H14'AAA 1 1.711 1.359 8.617 1.00 3.95 HETATM 56 C15'AAA 1 2.166 2.582 7.082 1.00 5.62 HETATM 57 H15'AAA 1 1.534 3.263 7.131 1.00 3.95 HETATM 58 O1W AAA 1 4.227 -0.682 10.696 1.00 10.37 HETATM 59 H1W AAA 1 4.645 0.049 10.686 1.00 3.95 HETATM 60 H2W AAA 1 4.712 -0.857 10.001 1.00 3.95 HETATM 61 O2W AAA 1 2.615 0.528 -0.905 1.00 14.95 HETATM 62 H3W AAA 1 1.959 0.997 -1.258 1.00 3.95 HETATM 63 H4W AAA 1 2.468 0.590 -0.118 1.00 3.95 CONECT 3 4 11 CONECT 4 5 12 CONECT 5 6 7 CONECT 7 8 9 CONECT 9 10 11 CONECT 11 35 CONECT 12 13 14 CONECT 14 15 CONECT 15 16 17 24 CONECT 17 18 19 CONECT 19 20 CONECT 20 21 22 23 CONECT 24 25 26 27 CONECT 27 28 33 CONECT 28 29 CONECT 29 30 31 CONECT 31 32 33 CONECT 33 34 CONECT 35 36 37 CONECT 37 38 CONECT 38 39 40 47 CONECT 40 41 42 CONECT 42 43 CONECT 43 44 45 46 CONECT 47 48 49 50 CONECT 50 51 56 CONECT 51 52 CONECT 52 53 54 CONECT 54 55 56 CONECT 56 57 CONECT 58 59 60 CONECT 61 62 63 CONECT 2 3 CONECT 3 4 11 CONECT 4 5 12 CONECT 5 6 7 CONECT 7 8 9 CONECT 9 10 11 CONECT 11 35 CONECT 12 13 14 CONECT 14 15 CONECT 15 16 17 24 CONECT 17 18 19 CONECT 19 20 CONECT 20 21 22 23 CONECT 24 25 26 27 CONECT 27 28 33 CONECT 28 29 CONECT 29 30 31 CONECT 31 32 33 CONECT 33 34 CONECT 35 36 37 CONECT 37 38 CONECT 38 39 40 47 CONECT 40 41 42 CONECT 42 43 CONECT 43 44 45 46 CONECT 47 48 49 50 CONECT 50 51 56 CONECT 51 52 CONECT 52 53 54 CONECT 54 55 56 CONECT 56 57 CONECT 58 59 60 CONECT 61 62 63 CONECT 2 28 CONECT 37 2 CONECT 14 2 CONECT 2 51 SPDBVT 1.0000000000 0.0000000000 0.0000000000 SPDBVT 0.0000000000 1.0000000000 0.0000000000 SPDBVT 0.0000000000 0.0000000000 1.0000000000 SPDBVT 0.0000000000 0.0000000000 0.0000000000 SPDBVT 0.0000000000 0.0000000000 0.0000000000 SPDBVV default; SPDBVV 41.593011343681 2278.726233817546 15.000000000000 SPDBVV 0.2845971130 0.2710336968 -0.9195353275 SPDBVV 0.0194768860 -0.9606377334 -0.2771205444 SPDBVV -0.9584493384 0.0609580222 -0.2786736179 SPDBVV 4.7069997787 1.1464999914 4.7189998627 SPDBVV 0.0000000000 0.0000000000 0.0000000000 SPDBVf 3 SPDBVl 1.00 1.00 1.00 SPDBVb 0.00 0.00 0.07 END