@MOLECULE l-tryptophyl-l-lysine 48 49 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.1109 2.1737 -1.9843 O.2 1 TRP1111111111 -0.5525 2 O 0.5685 -2.6192 -1.6843 O.3 2 LYS2222222222 -0.5445 3 OXT 0.2726 -2.0282 0.4489 O.2 2 LYS2222222222 -0.5163 4 N 0.3571 0.6698 -0.3097 N.am 2 LYS2222222222 -0.5985 5 NE1 -2.1596 -0.5878 2.4344 N.ar 1 TRP1111111111 -0.3630 6 N -0.5541 4.2587 -0.3228 N.3 1 TRP1111111111 -0.6202 7 NZ 6.8179 -0.3381 1.0689 N.3 2 LYS2222222222 -0.6501 8 CA 0.9147 -0.3389 -1.2130 C.3 2 LYS2222222222 0.0248 9 CB 2.4515 -0.2312 -1.3009 C.3 2 LYS2222222222 -0.2800 10 CA -0.6488 2.8849 0.1926 C.3 1 TRP1111111111 -0.0097 11 CB -2.1354 2.5458 0.4546 C.3 1 TRP1111111111 -0.2617 12 CG 3.1391 -0.3808 0.0593 C.3 2 LYS2222222222 -0.2704 13 CG -2.2718 1.1916 1.0221 C.ar 1 TRP1111111111 -0.1297 14 CD 4.6574 -0.2636 -0.0995 C.3 2 LYS2222222222 -0.2805 15 C -0.0578 1.8827 -0.8171 C.2 1 TRP1111111111 0.5333 16 CD2 -2.7232 0.0278 0.3081 C.ar 1 TRP1111111111 -0.0890 17 CE2 -2.6319 -1.0741 1.2164 C.ar 1 TRP1111111111 0.1125 18 CD1 -1.9419 0.7856 2.3074 C.ar 1 TRP1111111111 -0.0565 19 CE 5.3518 -0.4125 1.2658 C.3 2 LYS2222222222 -0.1029 20 C 0.5435 -1.7139 -0.6804 C.2 2 LYS2222222222 0.6148 21 CE3 -3.1708 -0.1991 -0.9986 C.ar 1 TRP1111111111 -0.1081 22 CZ2 -2.9795 -2.3793 0.8378 C.ar 1 TRP1111111111 -0.2015 23 CZ3 -3.5091 -1.4861 -1.3687 C.ar 1 TRP1111111111 -0.1889 24 CH2 -3.4151 -2.5638 -0.4592 C.ar 1 TRP1111111111 -0.1185 25 HA 0.4814 -0.2014 -2.2507 H 2 LYS2222222222 0.1985 26 HB1 2.8285 -0.9933 -2.0120 H 2 LYS2222222222 0.1577 27 HB2 2.7055 0.7541 -1.7467 H 2 LYS2222222222 0.1659 28 HA -0.0771 2.8364 1.1561 H 1 TRP1111111111 0.1593 29 HB1 -2.7211 2.6464 -0.4841 H 1 TRP1111111111 0.1633 30 HB2 -2.5596 3.3166 1.1375 H 1 TRP1111111111 0.1754 31 HG1 2.7675 0.3938 0.7580 H 2 LYS2222222222 0.1446 32 HG2 2.8775 -1.3524 0.5216 H 2 LYS2222222222 0.1450 33 HD1 5.0409 -1.0406 -0.7907 H 2 LYS2222222222 0.1569 34 HD2 4.9244 0.7046 -0.5612 H 2 LYS2222222222 0.1388 35 H 0.0615 0.3478 0.6068 H 2 LYS2222222222 0.3351 36 HD1 -1.5831 1.3703 3.1335 H 1 TRP1111111111 0.1688 37 HE1 5.1191 -1.4089 1.7034 H 2 LYS2222222222 0.1412 38 HE2 4.9721 0.3521 1.9758 H 2 LYS2222222222 0.1052 39 HE1 -1.9403 -1.1409 3.2294 H 1 TRP1111111111 0.3161 40 H1 0.4051 4.5414 -0.4593 H 1 TRP1111111111 0.2547 41 H2 -1.0367 4.3576 -1.2069 H 1 TRP1111111111 0.2630 42 HE3 -3.2429 0.6289 -1.7005 H 1 TRP1111111111 0.1571 43 HZ2 -2.8983 -3.2033 1.5376 H 1 TRP1111111111 0.1583 44 HZ3 -3.8565 -1.6871 -2.3803 H 1 TRP1111111111 0.1543 45 HH2 -3.6958 -3.5596 -0.8001 H 1 TRP1111111111 0.1493 46 HZ1 7.0978 0.5338 0.6529 H 2 LYS2222222222 0.2454 47 HZ2 7.3178 -0.4618 1.9328 H 2 LYS2222222222 0.2459 48 H 0.3291 -3.5369 -1.3996 H 2 LYS2222222222 0.3573 @BOND 1 1 15 2 2 2 20 1 3 2 48 1 4 3 20 2 5 4 8 1 6 4 15 am 7 4 35 1 8 5 17 ar 9 5 18 ar 10 5 39 1 11 6 10 1 12 6 40 1 13 6 41 1 14 7 19 1 15 7 46 1 16 7 47 1 17 8 9 1 18 8 20 1 19 8 25 1 20 9 12 1 21 9 26 1 22 9 27 1 23 10 11 1 24 10 15 1 25 10 28 1 26 11 13 1 27 11 29 1 28 11 30 1 29 12 14 1 30 12 31 1 31 12 32 1 32 13 16 ar 33 13 18 ar 34 14 19 1 35 14 33 1 36 14 34 1 37 16 17 ar 38 16 21 ar 39 17 22 ar 40 18 36 1 41 19 37 1 42 19 38 1 43 21 23 ar 44 21 42 1 45 22 24 ar 46 22 43 1 47 23 24 ar 48 23 44 1 49 24 45 1