chl1.psf

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