PSF EXT CMAP CHEQ XPLOR 3 !NTITLE * GENERATED BY CHARMM-GUI (HTTP://WWW.CHARMM-GUI.ORG) V2.0 ON APR, 20. 2017. JOB * GET A DIFFERENT CONFORMATION FOR LIPIDS PENETRATING PROTEIN / CHOL * DATE: 9/22/21 15:13: 3 CREATED BY USER: jlee 74 !NATOM 1 CHL1 1 CHL1 C3 CRL1 0.140000 12.0110 0 0.00000 -0.301140E-02 2 CHL1 1 CHL1 H3 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 3 CHL1 1 CHL1 O3 OHL -0.660000 15.9994 0 0.00000 -0.301140E-02 4 CHL1 1 CHL1 H3' HOL 0.430000 1.00800 0 0.00000 -0.301140E-02 5 CHL1 1 CHL1 C4 CRL2 -0.180000 12.0110 0 0.00000 -0.301140E-02 6 CHL1 1 CHL1 H4A HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 7 CHL1 1 CHL1 H4B HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 8 CHL1 1 CHL1 C5 CEL1 0.00000 12.0110 0 0.00000 -0.301140E-02 9 CHL1 1 CHL1 C6 CEL1 -0.150000 12.0110 0 0.00000 -0.301140E-02 10 CHL1 1 CHL1 H6 HEL1 0.150000 1.00800 0 0.00000 -0.301140E-02 11 CHL1 1 CHL1 C7 CRL2 -0.180000 12.0110 0 0.00000 -0.301140E-02 12 CHL1 1 CHL1 H7A HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 13 CHL1 1 CHL1 H7B HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 14 CHL1 1 CHL1 C8 CRL1 -0.900000E-01 12.0110 0 0.00000 -0.301140E-02 15 CHL1 1 CHL1 H8 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 16 CHL1 1 CHL1 C14 CRL1 -0.900000E-01 12.0110 0 0.00000 -0.301140E-02 17 CHL1 1 CHL1 H14 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 18 CHL1 1 CHL1 C15 CRL2 -0.180000 12.0110 0 0.00000 -0.301140E-02 19 CHL1 1 CHL1 H15A HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 20 CHL1 1 CHL1 H15B HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 21 CHL1 1 CHL1 C16 CRL2 -0.180000 12.0110 0 0.00000 -0.301140E-02 22 CHL1 1 CHL1 H16A HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 23 CHL1 1 CHL1 H16B HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 24 CHL1 1 CHL1 C17 CRL1 -0.900000E-01 12.0110 0 0.00000 -0.301140E-02 25 CHL1 1 CHL1 H17 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 26 CHL1 1 CHL1 C13 CRL1 0.00000 12.0110 0 0.00000 -0.301140E-02 27 CHL1 1 CHL1 C18 CTL3 -0.270000 12.0110 0 0.00000 -0.301140E-02 28 CHL1 1 CHL1 H18A HAL3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 29 CHL1 1 CHL1 H18B HAL3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 30 CHL1 1 CHL1 H18C HAL3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 31 CHL1 1 CHL1 C12 CRL2 -0.180000 12.0110 0 0.00000 -0.301140E-02 32 CHL1 1 CHL1 H12A HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 33 CHL1 1 CHL1 H12B HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 34 CHL1 1 CHL1 C11 CRL2 -0.180000 12.0110 0 0.00000 -0.301140E-02 35 CHL1 1 CHL1 H11A HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 36 CHL1 1 CHL1 H11B HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 37 CHL1 1 CHL1 C9 CRL1 -0.900000E-01 12.0110 0 0.00000 -0.301140E-02 38 CHL1 1 CHL1 H9 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 39 CHL1 1 CHL1 C10 CRL1 0.00000 12.0110 0 0.00000 -0.301140E-02 40 CHL1 1 CHL1 C19 CTL3 -0.270000 12.0110 0 0.00000 -0.301140E-02 41 CHL1 1 CHL1 H19A HAL3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 42 CHL1 1 CHL1 H19B HAL3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 43 CHL1 1 CHL1 H19C HAL3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 44 CHL1 1 CHL1 C1 CRL2 -0.180000 12.0110 0 0.00000 -0.301140E-02 45 CHL1 1 CHL1 H1A HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 46 CHL1 1 CHL1 H1B HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 47 CHL1 1 CHL1 C2 CRL2 -0.180000 12.0110 0 0.00000 -0.301140E-02 48 CHL1 1 CHL1 H2A HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 49 CHL1 1 CHL1 H2B HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 50 CHL1 1 CHL1 C20 CTL1 -0.900000E-01 12.0110 0 0.00000 -0.301140E-02 51 CHL1 1 CHL1 H20 HAL1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 52 CHL1 1 CHL1 C21 CTL3 -0.270000 12.0110 0 0.00000 -0.301140E-02 53 CHL1 1 CHL1 H21A HAL3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 54 CHL1 1 CHL1 H21B HAL3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 55 CHL1 1 CHL1 H21C HAL3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 56 CHL1 1 CHL1 C22 CTL2 -0.180000 12.0110 0 0.00000 -0.301140E-02 57 CHL1 1 CHL1 H22A HAL2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 58 CHL1 1 CHL1 H22B HAL2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 59 CHL1 1 CHL1 C23 CTL2 -0.180000 12.0110 0 0.00000 -0.301140E-02 60 CHL1 1 CHL1 H23A HAL2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 61 CHL1 1 CHL1 H23B HAL2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 62 CHL1 1 CHL1 C24 CTL2 -0.180000 12.0110 0 0.00000 -0.301140E-02 63 CHL1 1 CHL1 H24A HAL2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 64 CHL1 1 CHL1 H24B HAL2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 65 CHL1 1 CHL1 C25 CTL1 -0.900000E-01 12.0110 0 0.00000 -0.301140E-02 66 CHL1 1 CHL1 H25 HAL1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 67 CHL1 1 CHL1 C26 CTL3 -0.270000 12.0110 0 0.00000 -0.301140E-02 68 CHL1 1 CHL1 H26A HAL3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 69 CHL1 1 CHL1 H26B HAL3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 70 CHL1 1 CHL1 H26C HAL3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 71 CHL1 1 CHL1 C27 CTL3 -0.270000 12.0110 0 0.00000 -0.301140E-02 72 CHL1 1 CHL1 H27A HAL3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 73 CHL1 1 CHL1 H27B HAL3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 74 CHL1 1 CHL1 H27C HAL3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 77 !NBOND: bonds 1 3 1 2 3 4 1 47 47 48 47 49 47 44 44 45 44 46 1 5 5 6 5 7 5 8 8 39 39 44 39 40 40 41 40 42 40 43 8 9 9 10 9 11 11 12 11 13 11 14 14 15 14 37 37 38 37 39 14 16 16 17 16 26 26 31 31 32 31 33 31 34 34 35 34 36 34 37 26 27 27 28 27 29 27 30 16 18 18 19 18 20 18 21 21 22 21 23 21 24 24 25 24 26 24 50 50 51 50 52 52 53 52 54 52 55 50 56 56 57 56 58 56 59 59 60 59 61 59 62 62 63 62 64 62 65 65 66 65 67 67 68 67 69 67 70 65 71 71 72 71 73 71 74 157 !NTHETA: angles 2 1 3 2 1 5 2 1 47 3 1 5 3 1 47 5 1 47 1 3 4 1 5 6 1 5 7 1 5 8 6 5 7 6 5 8 7 5 8 5 8 9 5 8 39 9 8 39 8 9 10 8 9 11 10 9 11 9 11 12 9 11 13 9 11 14 12 11 13 12 11 14 13 11 14 11 14 15 11 14 16 11 14 37 15 14 16 15 14 37 16 14 37 14 16 17 14 16 18 14 16 26 17 16 18 17 16 26 18 16 26 16 18 19 16 18 20 16 18 21 19 18 20 19 18 21 20 18 21 18 21 22 18 21 23 18 21 24 22 21 23 22 21 24 23 21 24 21 24 25 21 24 26 21 24 50 25 24 26 25 24 50 26 24 50 16 26 24 16 26 27 16 26 31 24 26 27 24 26 31 27 26 31 26 27 28 26 27 29 26 27 30 28 27 29 28 27 30 29 27 30 26 31 32 26 31 33 26 31 34 32 31 33 32 31 34 33 31 34 31 34 35 31 34 36 31 34 37 35 34 36 35 34 37 36 34 37 14 37 34 14 37 38 14 37 39 34 37 38 34 37 39 38 37 39 8 39 37 8 39 40 8 39 44 37 39 40 37 39 44 40 39 44 39 40 41 39 40 42 39 40 43 41 40 42 41 40 43 42 40 43 39 44 45 39 44 46 39 44 47 45 44 46 45 44 47 46 44 47 1 47 44 1 47 48 1 47 49 44 47 48 44 47 49 48 47 49 24 50 51 24 50 52 24 50 56 51 50 52 51 50 56 52 50 56 50 52 53 50 52 54 50 52 55 53 52 54 53 52 55 54 52 55 50 56 57 50 56 58 50 56 59 57 56 58 57 56 59 58 56 59 56 59 60 56 59 61 56 59 62 60 59 61 60 59 62 61 59 62 59 62 63 59 62 64 59 62 65 63 62 64 63 62 65 64 62 65 62 65 66 62 65 67 62 65 71 66 65 67 66 65 71 67 65 71 65 67 68 65 67 69 65 67 70 68 67 69 68 67 70 69 67 70 65 71 72 65 71 73 65 71 74 72 71 73 72 71 74 73 71 74 259 !NPHI: dihedrals 1 5 8 9 1 5 8 39 1 47 44 39 1 47 44 45 1 47 44 46 2 1 3 4 2 1 5 6 2 1 5 7 2 1 5 8 2 1 47 44 2 1 47 48 2 1 47 49 3 1 5 6 3 1 5 7 3 1 5 8 3 1 47 44 3 1 47 48 3 1 47 49 4 3 1 5 4 3 1 47 5 1 47 44 5 1 47 48 5 1 47 49 5 8 9 10 5 8 9 11 5 8 39 37 5 8 39 40 5 8 39 44 6 5 1 47 6 5 8 9 6 5 8 39 7 5 1 47 7 5 8 9 7 5 8 39 8 5 1 47 8 9 11 12 8 9 11 13 8 9 11 14 8 39 37 14 8 39 37 34 8 39 37 38 8 39 40 41 8 39 40 42 8 39 40 43 8 39 44 45 8 39 44 46 8 39 44 47 9 8 39 37 9 8 39 40 9 8 39 44 9 11 14 15 9 11 14 16 9 11 14 37 10 9 8 39 10 9 11 12 10 9 11 13 10 9 11 14 11 9 8 39 11 14 16 17 11 14 16 18 11 14 16 26 11 14 37 34 11 14 37 38 11 14 37 39 12 11 14 15 12 11 14 16 12 11 14 37 13 11 14 15 13 11 14 16 13 11 14 37 14 16 18 19 14 16 18 20 14 16 18 21 14 16 26 24 14 16 26 27 14 16 26 31 14 37 34 31 14 37 34 35 14 37 34 36 14 37 39 40 14 37 39 44 15 14 16 17 15 14 16 18 15 14 16 26 15 14 37 34 15 14 37 38 15 14 37 39 16 14 37 34 16 14 37 38 16 14 37 39 16 18 21 22 16 18 21 23 16 18 21 24 16 26 24 21 16 26 24 25 16 26 24 50 16 26 27 28 16 26 27 29 16 26 27 30 16 26 31 32 16 26 31 33 16 26 31 34 17 16 14 37 17 16 18 19 17 16 18 20 17 16 18 21 17 16 26 24 17 16 26 27 17 16 26 31 18 16 14 37 18 16 26 24 18 16 26 27 18 16 26 31 18 21 24 25 18 21 24 26 18 21 24 50 19 18 16 26 19 18 21 22 19 18 21 23 19 18 21 24 20 18 16 26 20 18 21 22 20 18 21 23 20 18 21 24 21 18 16 26 21 24 26 27 21 24 26 31 21 24 50 51 21 24 50 52 21 24 50 56 22 21 24 25 22 21 24 26 22 21 24 50 23 21 24 25 23 21 24 26 23 21 24 50 24 26 27 28 24 26 27 29 24 26 27 30 24 26 31 32 24 26 31 33 24 26 31 34 24 50 52 53 24 50 52 54 24 50 52 55 24 50 56 57 24 50 56 58 24 50 56 59 25 24 26 27 25 24 26 31 25 24 50 51 25 24 50 52 25 24 50 56 26 16 14 37 26 24 50 51 26 24 50 52 26 24 50 56 26 31 34 35 26 31 34 36 26 31 34 37 27 26 24 50 27 26 31 32 27 26 31 33 27 26 31 34 28 27 26 31 29 27 26 31 30 27 26 31 31 26 24 50 31 34 37 38 31 34 37 39 32 31 34 35 32 31 34 36 32 31 34 37 33 31 34 35 33 31 34 36 33 31 34 37 34 37 39 40 34 37 39 44 35 34 37 38 35 34 37 39 36 34 37 38 36 34 37 39 37 39 40 41 37 39 40 42 37 39 40 43 37 39 44 45 37 39 44 46 37 39 44 47 38 37 39 40 38 37 39 44 39 44 47 48 39 44 47 49 40 39 44 45 40 39 44 46 40 39 44 47 41 40 39 44 42 40 39 44 43 40 39 44 45 44 47 48 45 44 47 49 46 44 47 48 46 44 47 49 50 56 59 60 50 56 59 61 50 56 59 62 51 50 52 53 51 50 52 54 51 50 52 55 51 50 56 57 51 50 56 58 51 50 56 59 52 50 56 57 52 50 56 58 52 50 56 59 53 52 50 56 54 52 50 56 55 52 50 56 56 59 62 63 56 59 62 64 56 59 62 65 57 56 59 60 57 56 59 61 57 56 59 62 58 56 59 60 58 56 59 61 58 56 59 62 59 62 65 66 59 62 65 67 59 62 65 71 60 59 62 63 60 59 62 64 60 59 62 65 61 59 62 63 61 59 62 64 61 59 62 65 62 65 67 68 62 65 67 69 62 65 67 70 62 65 71 72 62 65 71 73 62 65 71 74 63 62 65 66 63 62 65 67 63 62 65 71 64 62 65 66 64 62 65 67 64 62 65 71 66 65 67 68 66 65 67 69 66 65 67 70 66 65 71 72 66 65 71 73 66 65 71 74 67 65 71 72 67 65 71 73 67 65 71 74 68 67 65 71 69 67 65 71 70 67 65 71 0 !NIMPHI: impropers 0 !NDON: donors 0 !NACC: acceptors 0 !NNB 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 26 0 !NGRP NST2 0 1 0 4 1 0 7 1 0 10 1 0 13 1 0 15 1 0 17 1 0 20 1 0 23 1 0 25 0 0 26 1 0 30 1 0 33 1 0 36 1 0 38 0 0 39 1 0 43 1 0 46 1 0 49 1 0 51 1 0 55 1 0 58 1 0 61 1 0 64 1 0 66 1 0 70 1 0 1 !MOLNT 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 0 0 !NUMLP NUMLPH 0 !NCRTERM: cross-terms