# Created by: Discovery Studio # Creation time: Tue Aug 21 12:19:57 Pacific Daylight Time 2007 @MOLECULE glu2 68 67 8 0 0 PROTEIN USER_CHARGES @ATOM 1 N 3.5669 6.5551 3.7129 N.3 1 GLU1 0.0000 2 CA 2.7080 6.9679 4.8563 C.3 1 GLU1 0.0000 3 CB 1.4611 6.0574 4.8570 C.3 1 GLU1 0.0000 4 CG 0.5140 6.3994 6.0188 C.3 1 GLU1 0.0000 5 CD -0.6490 5.4463 5.9786 C.2 1 GLU1 0.0000 6 OE1 -1.6157 5.5078 6.9303 O.co2 1 GLU1 0.0000 7 OE2 -0.7238 4.5100 4.9943 O.co2 1 GLU1 0.0000 8 C 3.4067 6.8074 6.1934 C.2 1 GLU1 0.0000 9 O 4.6371 6.8590 6.2883 O.2 1 GLU1 0.0000 10 N 10.1806 10.0583 4.3169 N.3 2 GLU1 0.0000 11 CA 9.4845 10.3279 5.5947 C.3 2 GLU1 0.0000 12 CB 8.4495 9.2005 5.7872 C.3 2 GLU1 0.0000 13 CG 7.6889 9.3553 7.1108 C.3 2 GLU1 0.0000 14 CD 6.7314 8.2028 7.2346 C.2 2 GLU1 0.0000 15 OE1 5.9860 8.0512 8.3586 O.co2 2 GLU1 0.0000 16 OE2 6.6252 7.2999 6.2225 O.co2 2 GLU1 0.0000 17 C 10.4373 10.3073 6.7752 C.2 2 GLU1 0.0000 18 O 11.6411 10.5458 6.6327 O.2 2 GLU1 0.0000 19 N 16.5360 6.3755 -1.2828 N.3 3 GLU1 0.0000 20 CA 15.3897 5.6020 -0.7057 C.3 3 GLU1 0.0000 21 CB 14.6613 4.2607 -1.0650 C.3 3 GLU1 0.0000 22 CG 14.8462 3.1561 -0.0014 C.3 3 GLU1 0.0000 23 CD 13.9584 1.9946 -0.3168 C.2 3 GLU1 0.0000 24 OE1 13.1554 2.0329 -1.4101 O.co2 3 GLU1 0.0000 25 OE2 13.9107 0.9302 0.5257 O.co2 3 GLU1 0.0000 26 C 15.7100 4.1421 -0.4872 C.2 3 GLU1 0.0000 27 O 16.5831 3.5842 -1.1624 O.2 3 GLU1 0.0000 28 N 9.5151 2.9341 -3.1121 N.3 4 GLU1 0.0000 29 CA 8.1225 2.4268 -2.9406 C.3 4 GLU1 0.0000 30 CB 7.4382 1.0272 -3.0479 C.3 4 GLU1 0.0000 31 CG 6.4122 0.9297 -4.1870 C.3 4 GLU1 0.0000 32 CD 5.7359 -0.4110 -4.1259 C.2 4 GLU1 0.0000 33 OE1 4.7333 -0.7111 -4.9910 O.co2 4 GLU1 0.0000 34 OE2 6.1027 -1.3114 -3.1797 O.co2 4 GLU1 0.0000 35 C 7.6661 1.5499 -4.0772 C.2 4 GLU1 0.0000 36 O 8.4905 0.9225 -4.7519 O.2 4 GLU1 0.0000 37 N 3.2940 1.6234 -0.2665 N.3 5 GLU1 0.0000 38 CA 4.0204 2.8526 0.0731 C.3 5 GLU1 0.0000 39 CB 3.4009 3.5270 1.3360 C.3 5 GLU1 0.0000 40 CG 4.0051 4.8978 1.7299 C.3 5 GLU1 0.0000 41 CD 3.2293 5.3666 2.9400 C.2 5 GLU1 0.0000 42 OE1 2.2375 4.7141 3.2836 O.2 5 GLU1 0.0000 43 C 5.5034 2.5535 0.1594 C.2 5 GLU1 0.0000 44 O 5.9062 1.4750 -0.3129 O.2 5 GLU1 0.0000 45 N 6.4167 3.5073 0.6547 N.am 6 GLU2 0.0000 46 CA 7.8642 3.3623 0.6331 C.3 6 GLU2 0.0000 47 CB 8.4206 2.7456 -0.6971 C.3 6 GLU2 0.0000 48 CG 9.9409 2.5084 -0.6556 C.3 6 GLU2 0.0000 49 CD 10.4510 2.8742 -2.0040 C.2 6 GLU2 0.0000 50 OE1 11.6366 3.1966 -2.1430 O.2 6 GLU2 0.0000 51 C 8.4596 4.7357 0.9116 C.2 6 GLU2 0.0000 52 O 7.7131 5.5904 1.4327 O.2 6 GLU2 0.0000 53 N 9.7710 5.0916 0.4954 N.am 7 GLU3 0.0000 54 CA 10.3413 6.4093 0.6231 C.3 7 GLU3 0.0000 55 CB 10.1173 7.0089 2.0414 C.3 7 GLU3 0.0000 56 CG 10.5220 8.4773 2.2513 C.3 7 GLU3 0.0000 57 CD 9.9267 8.8242 3.5994 C.2 7 GLU3 0.0000 58 OE1 9.1431 8.0153 4.1087 O.2 7 GLU3 0.0000 59 C 11.7676 6.4024 0.0946 C.2 7 GLU3 0.0000 60 O 12.1348 5.3881 -0.5280 O.2 7 GLU3 0.0000 61 N 12.5527 7.5834 0.0821 N.am 8 GLU4 0.0000 62 CA 13.7928 7.7808 -0.6968 C.3 8 GLU4 0.0000 63 CB 13.7880 7.0439 -2.0854 C.3 8 GLU4 0.0000 64 CG 14.9661 7.4443 -3.0179 C.3 8 GLU4 0.0000 65 CD 16.3344 7.2031 -2.4542 C.2 8 GLU4 0.0000 66 OE1 17.2953 7.7550 -3.0016 O.2 8 GLU4 0.0000 67 C 13.9922 9.2550 -0.8746 C.2 8 GLU4 0.0000 68 O 13.5894 10.0368 -0.0060 O.2 8 GLU4 0.0000 @BOND 1 1 2 1 2 2 8 1 3 8 9 2 4 2 3 1 5 3 4 1 6 4 5 1 7 5 6 am 8 5 7 am 9 10 11 1 10 11 17 1 11 17 18 2 12 11 12 1 13 12 13 1 14 13 14 1 15 14 15 am 16 14 16 am 17 19 20 1 18 20 26 1 19 26 27 2 20 20 21 1 21 21 22 1 22 22 23 1 23 23 24 am 24 23 25 am 25 28 29 1 26 29 35 1 27 35 36 2 28 29 30 1 29 30 31 1 30 31 32 1 31 32 33 am 32 32 34 am 33 37 38 1 34 38 43 1 35 43 44 2 36 38 39 1 37 39 40 1 38 40 41 1 39 41 42 2 40 45 46 1 41 46 51 1 42 51 52 2 43 46 47 1 44 47 48 1 45 48 49 1 46 49 50 2 47 53 54 1 48 54 59 1 49 59 60 2 50 54 55 1 51 55 56 1 52 56 57 1 53 57 58 2 54 61 62 1 55 62 67 1 56 67 68 2 57 62 63 1 58 63 64 1 59 64 65 1 60 65 66 2 61 43 45 1 62 51 53 1 63 59 61 1 64 49 28 1 65 65 19 1 66 57 10 1 67 41 1 1 @SUBSTRUCTURE 1 GLU1 1 RESIDUE 1 _ GLU 2 GLU1 1 RESIDUE 1 _2 GLU 3 GLU1 1 RESIDUE 1 _3 GLU 4 GLU1 1 RESIDUE 1 _4 GLU 5 GLU1 1 RESIDUE 1 _5 GLU 6 GLU2 10 RESIDUE 1 _5 GLU 7 GLU3 19 RESIDUE 1 _5 GLU 8 GLU4 28 RESIDUE 1 _5 GLU @MOL_PROPERTY Surface Area SciTegic.value.DoubleValue 706.649414 @ATOM_PROPERTY Formal Charge SciTegic.value.StringValue 1 +1 2 0 3 0 4 0 5 0 6 -1/2 7 -1/2 8 0 9 0 10 +1 11 0 12 0 13 0 14 0 15 -1/2 16 -1/2 17 0 18 0 19 +1 20 0 21 0 22 0 23 0 24 -1/2 25 -1/2 26 0 27 0 28 +1 29 0 30 0 31 0 32 0 33 -1/2 34 -1/2 35 0 36 0 37 +1 38 0 39 0 40 0 41 0 42 -1/2 43 0 44 0 45 0 46 0 47 0 48 0 49 0 50 -1/2 51 0 52 0 53 0 54 0 55 0 56 0 57 0 58 -1/2 59 0 60 0 61 0 62 0 63 0 64 0 65 0 66 -1/2 67 0 68 0