PSF EXT CMAP CHEQ XPLOR 3 !NTITLE * GENERATED BY CHARMM-GUI (HTTP://WWW.CHARMM-GUI.ORG) V2.0 ON DEC, 11. 2018. JOB * ASSEMBLE PREVIOUSLY GENERATED COMPONENTS (LIPID BILAYER, PROTEIN, PORE WATER, * DATE: 12/11/18 18:53: 7 CREATED BY USER: apache 30066 !NATOM 1 HETA 1 LIG C3 CG3RC1 -0.132000 12.0110 0 0.00000 -0.301140E-02 2 HETA 1 LIG C1 CG3RC1 -0.200000E-02 12.0110 0 0.00000 -0.301140E-02 3 HETA 1 LIG H2 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 4 HETA 1 LIG C2 CG3C51 -0.940000E-01 12.0110 0 0.00000 -0.301140E-02 5 HETA 1 LIG C7 CG311 -0.940000E-01 12.0110 0 0.00000 -0.301140E-02 6 HETA 1 LIG H1 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 7 HETA 1 LIG H9 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 8 HETA 1 LIG C13 CG331 -0.272000 12.0110 0 0.00000 -0.301140E-02 9 HETA 1 LIG H18 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 10 HETA 1 LIG H19 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 11 HETA 1 LIG H20 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 12 HETA 1 LIG C11 CG321 -0.172000 12.0110 0 0.00000 -0.301140E-02 13 HETA 1 LIG C14 CG321 -0.175000 12.0110 0 0.00000 -0.301140E-02 14 HETA 1 LIG H15 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 15 HETA 1 LIG H16 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 16 HETA 1 LIG H21 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 17 HETA 1 LIG H22 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 18 HETA 1 LIG C16 CG321 -0.171000 12.0110 0 0.00000 -0.301140E-02 19 HETA 1 LIG C18 CG311 -0.830000E-01 12.0110 0 0.00000 -0.301140E-02 20 HETA 1 LIG H25 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 21 HETA 1 LIG H24 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 22 HETA 1 LIG H27 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 23 HETA 1 LIG C22 CG331 -0.271000 12.0110 0 0.00000 -0.301140E-02 24 HETA 1 LIG H33 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 25 HETA 1 LIG H34 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 26 HETA 1 LIG H35 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 27 HETA 1 LIG C21 CG331 -0.271000 12.0110 0 0.00000 -0.301140E-02 28 HETA 1 LIG H32 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 29 HETA 1 LIG H30 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 30 HETA 1 LIG H31 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 31 HETA 1 LIG C4 CG3C52 -0.181000 12.0110 0 0.00000 -0.301140E-02 32 HETA 1 LIG C5 CG3C52 -0.181000 12.0110 0 0.00000 -0.301140E-02 33 HETA 1 LIG H4 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 34 HETA 1 LIG H3 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 35 HETA 1 LIG H5 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 36 HETA 1 LIG H6 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 37 HETA 1 LIG C8 CG331 -0.270000 12.0110 0 0.00000 -0.301140E-02 38 HETA 1 LIG H10 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 39 HETA 1 LIG H11 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 40 HETA 1 LIG H12 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 41 HETA 1 LIG C6 CG321 -0.192000 12.0110 0 0.00000 -0.301140E-02 42 HETA 1 LIG C10 CG321 -0.169000 12.0110 0 0.00000 -0.301140E-02 43 HETA 1 LIG H8 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 44 HETA 1 LIG H7 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 45 HETA 1 LIG H13 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 46 HETA 1 LIG H14 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 47 HETA 1 LIG C12 CG2DC1 -0.157000 12.0110 0 0.00000 -0.301140E-02 48 HETA 1 LIG C9 CG2DC1 0.350000E-01 12.0110 0 0.00000 -0.301140E-02 49 HETA 1 LIG H17 HGA4 0.150000 1.00800 0 0.00000 -0.301140E-02 50 HETA 1 LIG C15 CG2DC2 -0.148000 12.0110 0 0.00000 -0.301140E-02 51 HETA 1 LIG C17 CG2DC2 -0.149000 12.0110 0 0.00000 -0.301140E-02 52 HETA 1 LIG H23 HGA4 0.150000 1.00800 0 0.00000 -0.301140E-02 53 HETA 1 LIG H26 HGA4 0.150000 1.00800 0 0.00000 -0.301140E-02 54 HETA 1 LIG C19 CG2DC1 0.190000E-01 12.0110 0 0.00000 -0.301140E-02 55 HETA 1 LIG C23 CG2DC1 0.300000E-02 12.0110 0 0.00000 -0.301140E-02 56 HETA 1 LIG C27 CG331 -0.268000 12.0110 0 0.00000 -0.301140E-02 57 HETA 1 LIG H43 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 58 HETA 1 LIG H42 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 59 HETA 1 LIG H41 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 60 HETA 1 LIG C25 CG321 -0.182000 12.0110 0 0.00000 -0.301140E-02 61 HETA 1 LIG C26 CG321 -0.180000 12.0110 0 0.00000 -0.301140E-02 62 HETA 1 LIG H38 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 63 HETA 1 LIG H37 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 64 HETA 1 LIG H39 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 65 HETA 1 LIG H40 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 66 HETA 1 LIG C24 CG311 0.140000 12.0110 0 0.00000 -0.301140E-02 67 HETA 1 LIG C20 CG321 -0.201000 12.0110 0 0.00000 -0.301140E-02 68 HETA 1 LIG H36 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 69 HETA 1 LIG H29 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 70 HETA 1 LIG H28 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 71 HETA 1 LIG O OG311 -0.651000 15.9994 0 0.00000 -0.301140E-02 72 HETA 1 LIG H44 HGP1 0.419000 1.00800 0 0.00000 -0.301140E-02 73 HETA 2 LIG C3 CG3RC1 -0.132000 12.0110 0 0.00000 -0.301140E-02 74 HETA 2 LIG C1 CG3RC1 -0.200000E-02 12.0110 0 0.00000 -0.301140E-02 75 HETA 2 LIG H2 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 76 HETA 2 LIG C2 CG3C51 -0.940000E-01 12.0110 0 0.00000 -0.301140E-02 77 HETA 2 LIG C7 CG311 -0.940000E-01 12.0110 0 0.00000 -0.301140E-02 78 HETA 2 LIG H1 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 79 HETA 2 LIG H9 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 80 HETA 2 LIG C13 CG331 -0.272000 12.0110 0 0.00000 -0.301140E-02 81 HETA 2 LIG H18 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 82 HETA 2 LIG H19 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 83 HETA 2 LIG H20 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 84 HETA 2 LIG C11 CG321 -0.172000 12.0110 0 0.00000 -0.301140E-02 85 HETA 2 LIG C14 CG321 -0.175000 12.0110 0 0.00000 -0.301140E-02 86 HETA 2 LIG H15 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 87 HETA 2 LIG H16 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 88 HETA 2 LIG H21 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 89 HETA 2 LIG H22 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 90 HETA 2 LIG C16 CG321 -0.171000 12.0110 0 0.00000 -0.301140E-02 91 HETA 2 LIG C18 CG311 -0.830000E-01 12.0110 0 0.00000 -0.301140E-02 92 HETA 2 LIG H25 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 93 HETA 2 LIG H24 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 94 HETA 2 LIG H27 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 95 HETA 2 LIG C22 CG331 -0.271000 12.0110 0 0.00000 -0.301140E-02 96 HETA 2 LIG H33 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 97 HETA 2 LIG H34 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 98 HETA 2 LIG H35 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 99 HETA 2 LIG C21 CG331 -0.271000 12.0110 0 0.00000 -0.301140E-02 100 HETA 2 LIG H32 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 101 HETA 2 LIG H30 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 102 HETA 2 LIG H31 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 103 HETA 2 LIG C4 CG3C52 -0.181000 12.0110 0 0.00000 -0.301140E-02 104 HETA 2 LIG C5 CG3C52 -0.181000 12.0110 0 0.00000 -0.301140E-02 105 HETA 2 LIG H4 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 106 HETA 2 LIG H3 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 107 HETA 2 LIG H5 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 108 HETA 2 LIG H6 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 109 HETA 2 LIG C8 CG331 -0.270000 12.0110 0 0.00000 -0.301140E-02 110 HETA 2 LIG H10 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 111 HETA 2 LIG H11 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 112 HETA 2 LIG H12 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 113 HETA 2 LIG C6 CG321 -0.192000 12.0110 0 0.00000 -0.301140E-02 114 HETA 2 LIG C10 CG321 -0.169000 12.0110 0 0.00000 -0.301140E-02 115 HETA 2 LIG H8 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 116 HETA 2 LIG H7 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 117 HETA 2 LIG H13 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 118 HETA 2 LIG H14 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 119 HETA 2 LIG C12 CG2DC1 -0.157000 12.0110 0 0.00000 -0.301140E-02 120 HETA 2 LIG C9 CG2DC1 0.350000E-01 12.0110 0 0.00000 -0.301140E-02 121 HETA 2 LIG H17 HGA4 0.150000 1.00800 0 0.00000 -0.301140E-02 122 HETA 2 LIG C15 CG2DC2 -0.148000 12.0110 0 0.00000 -0.301140E-02 123 HETA 2 LIG C17 CG2DC2 -0.149000 12.0110 0 0.00000 -0.301140E-02 124 HETA 2 LIG H23 HGA4 0.150000 1.00800 0 0.00000 -0.301140E-02 125 HETA 2 LIG H26 HGA4 0.150000 1.00800 0 0.00000 -0.301140E-02 126 HETA 2 LIG C19 CG2DC1 0.190000E-01 12.0110 0 0.00000 -0.301140E-02 127 HETA 2 LIG C23 CG2DC1 0.300000E-02 12.0110 0 0.00000 -0.301140E-02 128 HETA 2 LIG C27 CG331 -0.268000 12.0110 0 0.00000 -0.301140E-02 129 HETA 2 LIG H43 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 130 HETA 2 LIG H42 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 131 HETA 2 LIG H41 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 132 HETA 2 LIG C25 CG321 -0.182000 12.0110 0 0.00000 -0.301140E-02 133 HETA 2 LIG C26 CG321 -0.180000 12.0110 0 0.00000 -0.301140E-02 134 HETA 2 LIG H38 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 135 HETA 2 LIG H37 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 136 HETA 2 LIG H39 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 137 HETA 2 LIG H40 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 138 HETA 2 LIG C24 CG311 0.140000 12.0110 0 0.00000 -0.301140E-02 139 HETA 2 LIG C20 CG321 -0.201000 12.0110 0 0.00000 -0.301140E-02 140 HETA 2 LIG H36 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 141 HETA 2 LIG H29 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 142 HETA 2 LIG H28 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 143 HETA 2 LIG O OG311 -0.651000 15.9994 0 0.00000 -0.301140E-02 144 HETA 2 LIG H44 HGP1 0.419000 1.00800 0 0.00000 -0.301140E-02 145 HETA 3 LIG C3 CG3RC1 -0.132000 12.0110 0 0.00000 -0.301140E-02 146 HETA 3 LIG C1 CG3RC1 -0.200000E-02 12.0110 0 0.00000 -0.301140E-02 147 HETA 3 LIG H2 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 148 HETA 3 LIG C2 CG3C51 -0.940000E-01 12.0110 0 0.00000 -0.301140E-02 149 HETA 3 LIG C7 CG311 -0.940000E-01 12.0110 0 0.00000 -0.301140E-02 150 HETA 3 LIG H1 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 151 HETA 3 LIG H9 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 152 HETA 3 LIG C13 CG331 -0.272000 12.0110 0 0.00000 -0.301140E-02 153 HETA 3 LIG H18 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 154 HETA 3 LIG H19 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 155 HETA 3 LIG H20 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 156 HETA 3 LIG C11 CG321 -0.172000 12.0110 0 0.00000 -0.301140E-02 157 HETA 3 LIG C14 CG321 -0.175000 12.0110 0 0.00000 -0.301140E-02 158 HETA 3 LIG H15 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 159 HETA 3 LIG H16 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 160 HETA 3 LIG H21 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 161 HETA 3 LIG H22 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 162 HETA 3 LIG C16 CG321 -0.171000 12.0110 0 0.00000 -0.301140E-02 163 HETA 3 LIG C18 CG311 -0.830000E-01 12.0110 0 0.00000 -0.301140E-02 164 HETA 3 LIG H25 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 165 HETA 3 LIG H24 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 166 HETA 3 LIG H27 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 167 HETA 3 LIG C22 CG331 -0.271000 12.0110 0 0.00000 -0.301140E-02 168 HETA 3 LIG H33 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 169 HETA 3 LIG H34 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 170 HETA 3 LIG H35 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 171 HETA 3 LIG C21 CG331 -0.271000 12.0110 0 0.00000 -0.301140E-02 172 HETA 3 LIG H32 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 173 HETA 3 LIG H30 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 174 HETA 3 LIG H31 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 175 HETA 3 LIG C4 CG3C52 -0.181000 12.0110 0 0.00000 -0.301140E-02 176 HETA 3 LIG C5 CG3C52 -0.181000 12.0110 0 0.00000 -0.301140E-02 177 HETA 3 LIG H4 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 178 HETA 3 LIG H3 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 179 HETA 3 LIG H5 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 180 HETA 3 LIG H6 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 181 HETA 3 LIG C8 CG331 -0.270000 12.0110 0 0.00000 -0.301140E-02 182 HETA 3 LIG H10 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 183 HETA 3 LIG H11 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 184 HETA 3 LIG H12 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 185 HETA 3 LIG C6 CG321 -0.192000 12.0110 0 0.00000 -0.301140E-02 186 HETA 3 LIG C10 CG321 -0.169000 12.0110 0 0.00000 -0.301140E-02 187 HETA 3 LIG H8 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 188 HETA 3 LIG H7 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 189 HETA 3 LIG H13 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 190 HETA 3 LIG H14 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 191 HETA 3 LIG C12 CG2DC1 -0.157000 12.0110 0 0.00000 -0.301140E-02 192 HETA 3 LIG C9 CG2DC1 0.350000E-01 12.0110 0 0.00000 -0.301140E-02 193 HETA 3 LIG H17 HGA4 0.150000 1.00800 0 0.00000 -0.301140E-02 194 HETA 3 LIG C15 CG2DC2 -0.148000 12.0110 0 0.00000 -0.301140E-02 195 HETA 3 LIG C17 CG2DC2 -0.149000 12.0110 0 0.00000 -0.301140E-02 196 HETA 3 LIG H23 HGA4 0.150000 1.00800 0 0.00000 -0.301140E-02 197 HETA 3 LIG H26 HGA4 0.150000 1.00800 0 0.00000 -0.301140E-02 198 HETA 3 LIG C19 CG2DC1 0.190000E-01 12.0110 0 0.00000 -0.301140E-02 199 HETA 3 LIG C23 CG2DC1 0.300000E-02 12.0110 0 0.00000 -0.301140E-02 200 HETA 3 LIG C27 CG331 -0.268000 12.0110 0 0.00000 -0.301140E-02 201 HETA 3 LIG H43 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 202 HETA 3 LIG H42 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 203 HETA 3 LIG H41 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 204 HETA 3 LIG C25 CG321 -0.182000 12.0110 0 0.00000 -0.301140E-02 205 HETA 3 LIG C26 CG321 -0.180000 12.0110 0 0.00000 -0.301140E-02 206 HETA 3 LIG H38 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 207 HETA 3 LIG H37 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 208 HETA 3 LIG H39 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 209 HETA 3 LIG H40 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 210 HETA 3 LIG C24 CG311 0.140000 12.0110 0 0.00000 -0.301140E-02 211 HETA 3 LIG C20 CG321 -0.201000 12.0110 0 0.00000 -0.301140E-02 212 HETA 3 LIG H36 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 213 HETA 3 LIG H29 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 214 HETA 3 LIG H28 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 215 HETA 3 LIG O OG311 -0.651000 15.9994 0 0.00000 -0.301140E-02 216 HETA 3 LIG H44 HGP1 0.419000 1.00800 0 0.00000 -0.301140E-02 217 HETA 4 LIG C3 CG3RC1 -0.132000 12.0110 0 0.00000 -0.301140E-02 218 HETA 4 LIG C1 CG3RC1 -0.200000E-02 12.0110 0 0.00000 -0.301140E-02 219 HETA 4 LIG H2 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 220 HETA 4 LIG C2 CG3C51 -0.940000E-01 12.0110 0 0.00000 -0.301140E-02 221 HETA 4 LIG C7 CG311 -0.940000E-01 12.0110 0 0.00000 -0.301140E-02 222 HETA 4 LIG H1 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 223 HETA 4 LIG H9 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 224 HETA 4 LIG C13 CG331 -0.272000 12.0110 0 0.00000 -0.301140E-02 225 HETA 4 LIG H18 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 226 HETA 4 LIG H19 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 227 HETA 4 LIG H20 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 228 HETA 4 LIG C11 CG321 -0.172000 12.0110 0 0.00000 -0.301140E-02 229 HETA 4 LIG C14 CG321 -0.175000 12.0110 0 0.00000 -0.301140E-02 230 HETA 4 LIG H15 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 231 HETA 4 LIG H16 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 232 HETA 4 LIG H21 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 233 HETA 4 LIG H22 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 234 HETA 4 LIG C16 CG321 -0.171000 12.0110 0 0.00000 -0.301140E-02 235 HETA 4 LIG C18 CG311 -0.830000E-01 12.0110 0 0.00000 -0.301140E-02 236 HETA 4 LIG H25 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 237 HETA 4 LIG H24 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 238 HETA 4 LIG H27 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 239 HETA 4 LIG C22 CG331 -0.271000 12.0110 0 0.00000 -0.301140E-02 240 HETA 4 LIG H33 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 241 HETA 4 LIG H34 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 242 HETA 4 LIG H35 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 243 HETA 4 LIG C21 CG331 -0.271000 12.0110 0 0.00000 -0.301140E-02 244 HETA 4 LIG H32 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 245 HETA 4 LIG H30 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 246 HETA 4 LIG H31 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 247 HETA 4 LIG C4 CG3C52 -0.181000 12.0110 0 0.00000 -0.301140E-02 248 HETA 4 LIG C5 CG3C52 -0.181000 12.0110 0 0.00000 -0.301140E-02 249 HETA 4 LIG H4 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 250 HETA 4 LIG H3 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 251 HETA 4 LIG H5 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 252 HETA 4 LIG H6 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 253 HETA 4 LIG C8 CG331 -0.270000 12.0110 0 0.00000 -0.301140E-02 254 HETA 4 LIG H10 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 255 HETA 4 LIG H11 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 256 HETA 4 LIG H12 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 257 HETA 4 LIG C6 CG321 -0.192000 12.0110 0 0.00000 -0.301140E-02 258 HETA 4 LIG C10 CG321 -0.169000 12.0110 0 0.00000 -0.301140E-02 259 HETA 4 LIG H8 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 260 HETA 4 LIG H7 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 261 HETA 4 LIG H13 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 262 HETA 4 LIG H14 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 263 HETA 4 LIG C12 CG2DC1 -0.157000 12.0110 0 0.00000 -0.301140E-02 264 HETA 4 LIG C9 CG2DC1 0.350000E-01 12.0110 0 0.00000 -0.301140E-02 265 HETA 4 LIG H17 HGA4 0.150000 1.00800 0 0.00000 -0.301140E-02 266 HETA 4 LIG C15 CG2DC2 -0.148000 12.0110 0 0.00000 -0.301140E-02 267 HETA 4 LIG C17 CG2DC2 -0.149000 12.0110 0 0.00000 -0.301140E-02 268 HETA 4 LIG H23 HGA4 0.150000 1.00800 0 0.00000 -0.301140E-02 269 HETA 4 LIG H26 HGA4 0.150000 1.00800 0 0.00000 -0.301140E-02 270 HETA 4 LIG C19 CG2DC1 0.190000E-01 12.0110 0 0.00000 -0.301140E-02 271 HETA 4 LIG C23 CG2DC1 0.300000E-02 12.0110 0 0.00000 -0.301140E-02 272 HETA 4 LIG C27 CG331 -0.268000 12.0110 0 0.00000 -0.301140E-02 273 HETA 4 LIG H43 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 274 HETA 4 LIG H42 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 275 HETA 4 LIG H41 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 276 HETA 4 LIG C25 CG321 -0.182000 12.0110 0 0.00000 -0.301140E-02 277 HETA 4 LIG C26 CG321 -0.180000 12.0110 0 0.00000 -0.301140E-02 278 HETA 4 LIG H38 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 279 HETA 4 LIG H37 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 280 HETA 4 LIG H39 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 281 HETA 4 LIG H40 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 282 HETA 4 LIG C24 CG311 0.140000 12.0110 0 0.00000 -0.301140E-02 283 HETA 4 LIG C20 CG321 -0.201000 12.0110 0 0.00000 -0.301140E-02 284 HETA 4 LIG H36 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 285 HETA 4 LIG H29 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 286 HETA 4 LIG H28 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 287 HETA 4 LIG O OG311 -0.651000 15.9994 0 0.00000 -0.301140E-02 288 HETA 4 LIG H44 HGP1 0.419000 1.00800 0 0.00000 -0.301140E-02 289 HETA 5 LIG C3 CG3RC1 -0.132000 12.0110 0 0.00000 -0.301140E-02 290 HETA 5 LIG C1 CG3RC1 -0.200000E-02 12.0110 0 0.00000 -0.301140E-02 291 HETA 5 LIG H2 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 292 HETA 5 LIG C2 CG3C51 -0.940000E-01 12.0110 0 0.00000 -0.301140E-02 293 HETA 5 LIG C7 CG311 -0.940000E-01 12.0110 0 0.00000 -0.301140E-02 294 HETA 5 LIG H1 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 295 HETA 5 LIG H9 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 296 HETA 5 LIG C13 CG331 -0.272000 12.0110 0 0.00000 -0.301140E-02 297 HETA 5 LIG H18 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 298 HETA 5 LIG H19 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 299 HETA 5 LIG H20 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 300 HETA 5 LIG C11 CG321 -0.172000 12.0110 0 0.00000 -0.301140E-02 301 HETA 5 LIG C14 CG321 -0.175000 12.0110 0 0.00000 -0.301140E-02 302 HETA 5 LIG H15 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 303 HETA 5 LIG H16 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 304 HETA 5 LIG H21 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 305 HETA 5 LIG H22 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 306 HETA 5 LIG C16 CG321 -0.171000 12.0110 0 0.00000 -0.301140E-02 307 HETA 5 LIG C18 CG311 -0.830000E-01 12.0110 0 0.00000 -0.301140E-02 308 HETA 5 LIG H25 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 309 HETA 5 LIG H24 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 310 HETA 5 LIG H27 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 311 HETA 5 LIG C22 CG331 -0.271000 12.0110 0 0.00000 -0.301140E-02 312 HETA 5 LIG H33 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 313 HETA 5 LIG H34 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 314 HETA 5 LIG H35 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 315 HETA 5 LIG C21 CG331 -0.271000 12.0110 0 0.00000 -0.301140E-02 316 HETA 5 LIG H32 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 317 HETA 5 LIG H30 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 318 HETA 5 LIG H31 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 319 HETA 5 LIG C4 CG3C52 -0.181000 12.0110 0 0.00000 -0.301140E-02 320 HETA 5 LIG C5 CG3C52 -0.181000 12.0110 0 0.00000 -0.301140E-02 321 HETA 5 LIG H4 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 322 HETA 5 LIG H3 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 323 HETA 5 LIG H5 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 324 HETA 5 LIG H6 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 325 HETA 5 LIG C8 CG331 -0.270000 12.0110 0 0.00000 -0.301140E-02 326 HETA 5 LIG H10 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 327 HETA 5 LIG H11 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 328 HETA 5 LIG H12 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 329 HETA 5 LIG C6 CG321 -0.192000 12.0110 0 0.00000 -0.301140E-02 330 HETA 5 LIG C10 CG321 -0.169000 12.0110 0 0.00000 -0.301140E-02 331 HETA 5 LIG H8 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 332 HETA 5 LIG H7 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 333 HETA 5 LIG H13 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 334 HETA 5 LIG H14 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 335 HETA 5 LIG C12 CG2DC1 -0.157000 12.0110 0 0.00000 -0.301140E-02 336 HETA 5 LIG C9 CG2DC1 0.350000E-01 12.0110 0 0.00000 -0.301140E-02 337 HETA 5 LIG H17 HGA4 0.150000 1.00800 0 0.00000 -0.301140E-02 338 HETA 5 LIG C15 CG2DC2 -0.148000 12.0110 0 0.00000 -0.301140E-02 339 HETA 5 LIG C17 CG2DC2 -0.149000 12.0110 0 0.00000 -0.301140E-02 340 HETA 5 LIG H23 HGA4 0.150000 1.00800 0 0.00000 -0.301140E-02 341 HETA 5 LIG H26 HGA4 0.150000 1.00800 0 0.00000 -0.301140E-02 342 HETA 5 LIG C19 CG2DC1 0.190000E-01 12.0110 0 0.00000 -0.301140E-02 343 HETA 5 LIG C23 CG2DC1 0.300000E-02 12.0110 0 0.00000 -0.301140E-02 344 HETA 5 LIG C27 CG331 -0.268000 12.0110 0 0.00000 -0.301140E-02 345 HETA 5 LIG H43 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 346 HETA 5 LIG H42 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 347 HETA 5 LIG H41 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 348 HETA 5 LIG C25 CG321 -0.182000 12.0110 0 0.00000 -0.301140E-02 349 HETA 5 LIG C26 CG321 -0.180000 12.0110 0 0.00000 -0.301140E-02 350 HETA 5 LIG H38 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 351 HETA 5 LIG H37 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 352 HETA 5 LIG H39 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 353 HETA 5 LIG H40 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 354 HETA 5 LIG C24 CG311 0.140000 12.0110 0 0.00000 -0.301140E-02 355 HETA 5 LIG C20 CG321 -0.201000 12.0110 0 0.00000 -0.301140E-02 356 HETA 5 LIG H36 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 357 HETA 5 LIG H29 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 358 HETA 5 LIG H28 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 359 HETA 5 LIG O OG311 -0.651000 15.9994 0 0.00000 -0.301140E-02 360 HETA 5 LIG H44 HGP1 0.419000 1.00800 0 0.00000 -0.301140E-02 361 HETA 6 LIG C3 CG3RC1 -0.132000 12.0110 0 0.00000 -0.301140E-02 362 HETA 6 LIG C1 CG3RC1 -0.200000E-02 12.0110 0 0.00000 -0.301140E-02 363 HETA 6 LIG H2 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 364 HETA 6 LIG C2 CG3C51 -0.940000E-01 12.0110 0 0.00000 -0.301140E-02 365 HETA 6 LIG C7 CG311 -0.940000E-01 12.0110 0 0.00000 -0.301140E-02 366 HETA 6 LIG H1 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 367 HETA 6 LIG H9 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 368 HETA 6 LIG C13 CG331 -0.272000 12.0110 0 0.00000 -0.301140E-02 369 HETA 6 LIG H18 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 370 HETA 6 LIG H19 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 371 HETA 6 LIG H20 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 372 HETA 6 LIG C11 CG321 -0.172000 12.0110 0 0.00000 -0.301140E-02 373 HETA 6 LIG C14 CG321 -0.175000 12.0110 0 0.00000 -0.301140E-02 374 HETA 6 LIG H15 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 375 HETA 6 LIG H16 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 376 HETA 6 LIG H21 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 377 HETA 6 LIG H22 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 378 HETA 6 LIG C16 CG321 -0.171000 12.0110 0 0.00000 -0.301140E-02 379 HETA 6 LIG C18 CG311 -0.830000E-01 12.0110 0 0.00000 -0.301140E-02 380 HETA 6 LIG H25 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 381 HETA 6 LIG H24 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 382 HETA 6 LIG H27 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 383 HETA 6 LIG C22 CG331 -0.271000 12.0110 0 0.00000 -0.301140E-02 384 HETA 6 LIG H33 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 385 HETA 6 LIG H34 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 386 HETA 6 LIG H35 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 387 HETA 6 LIG C21 CG331 -0.271000 12.0110 0 0.00000 -0.301140E-02 388 HETA 6 LIG H32 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 389 HETA 6 LIG H30 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 390 HETA 6 LIG H31 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 391 HETA 6 LIG C4 CG3C52 -0.181000 12.0110 0 0.00000 -0.301140E-02 392 HETA 6 LIG C5 CG3C52 -0.181000 12.0110 0 0.00000 -0.301140E-02 393 HETA 6 LIG H4 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 394 HETA 6 LIG H3 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 395 HETA 6 LIG H5 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 396 HETA 6 LIG H6 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 397 HETA 6 LIG C8 CG331 -0.270000 12.0110 0 0.00000 -0.301140E-02 398 HETA 6 LIG H10 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 399 HETA 6 LIG H11 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 400 HETA 6 LIG H12 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 401 HETA 6 LIG C6 CG321 -0.192000 12.0110 0 0.00000 -0.301140E-02 402 HETA 6 LIG C10 CG321 -0.169000 12.0110 0 0.00000 -0.301140E-02 403 HETA 6 LIG H8 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 404 HETA 6 LIG H7 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 405 HETA 6 LIG H13 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 406 HETA 6 LIG H14 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 407 HETA 6 LIG C12 CG2DC1 -0.157000 12.0110 0 0.00000 -0.301140E-02 408 HETA 6 LIG C9 CG2DC1 0.350000E-01 12.0110 0 0.00000 -0.301140E-02 409 HETA 6 LIG H17 HGA4 0.150000 1.00800 0 0.00000 -0.301140E-02 410 HETA 6 LIG C15 CG2DC2 -0.148000 12.0110 0 0.00000 -0.301140E-02 411 HETA 6 LIG C17 CG2DC2 -0.149000 12.0110 0 0.00000 -0.301140E-02 412 HETA 6 LIG H23 HGA4 0.150000 1.00800 0 0.00000 -0.301140E-02 413 HETA 6 LIG H26 HGA4 0.150000 1.00800 0 0.00000 -0.301140E-02 414 HETA 6 LIG C19 CG2DC1 0.190000E-01 12.0110 0 0.00000 -0.301140E-02 415 HETA 6 LIG C23 CG2DC1 0.300000E-02 12.0110 0 0.00000 -0.301140E-02 416 HETA 6 LIG C27 CG331 -0.268000 12.0110 0 0.00000 -0.301140E-02 417 HETA 6 LIG H43 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 418 HETA 6 LIG H42 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 419 HETA 6 LIG H41 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 420 HETA 6 LIG C25 CG321 -0.182000 12.0110 0 0.00000 -0.301140E-02 421 HETA 6 LIG C26 CG321 -0.180000 12.0110 0 0.00000 -0.301140E-02 422 HETA 6 LIG H38 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 423 HETA 6 LIG H37 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 424 HETA 6 LIG H39 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 425 HETA 6 LIG H40 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 426 HETA 6 LIG C24 CG311 0.140000 12.0110 0 0.00000 -0.301140E-02 427 HETA 6 LIG C20 CG321 -0.201000 12.0110 0 0.00000 -0.301140E-02 428 HETA 6 LIG H36 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 429 HETA 6 LIG H29 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 430 HETA 6 LIG H28 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 431 HETA 6 LIG O OG311 -0.651000 15.9994 0 0.00000 -0.301140E-02 432 HETA 6 LIG H44 HGP1 0.419000 1.00800 0 0.00000 -0.301140E-02 433 HETA 7 LIG C3 CG3RC1 -0.132000 12.0110 0 0.00000 -0.301140E-02 434 HETA 7 LIG C1 CG3RC1 -0.200000E-02 12.0110 0 0.00000 -0.301140E-02 435 HETA 7 LIG H2 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 436 HETA 7 LIG C2 CG3C51 -0.940000E-01 12.0110 0 0.00000 -0.301140E-02 437 HETA 7 LIG C7 CG311 -0.940000E-01 12.0110 0 0.00000 -0.301140E-02 438 HETA 7 LIG H1 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 439 HETA 7 LIG H9 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 440 HETA 7 LIG C13 CG331 -0.272000 12.0110 0 0.00000 -0.301140E-02 441 HETA 7 LIG H18 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 442 HETA 7 LIG H19 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 443 HETA 7 LIG H20 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 444 HETA 7 LIG C11 CG321 -0.172000 12.0110 0 0.00000 -0.301140E-02 445 HETA 7 LIG C14 CG321 -0.175000 12.0110 0 0.00000 -0.301140E-02 446 HETA 7 LIG H15 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 447 HETA 7 LIG H16 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 448 HETA 7 LIG H21 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 449 HETA 7 LIG H22 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 450 HETA 7 LIG C16 CG321 -0.171000 12.0110 0 0.00000 -0.301140E-02 451 HETA 7 LIG C18 CG311 -0.830000E-01 12.0110 0 0.00000 -0.301140E-02 452 HETA 7 LIG H25 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 453 HETA 7 LIG H24 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 454 HETA 7 LIG H27 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 455 HETA 7 LIG C22 CG331 -0.271000 12.0110 0 0.00000 -0.301140E-02 456 HETA 7 LIG H33 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 457 HETA 7 LIG H34 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 458 HETA 7 LIG H35 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 459 HETA 7 LIG C21 CG331 -0.271000 12.0110 0 0.00000 -0.301140E-02 460 HETA 7 LIG H32 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 461 HETA 7 LIG H30 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 462 HETA 7 LIG H31 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 463 HETA 7 LIG C4 CG3C52 -0.181000 12.0110 0 0.00000 -0.301140E-02 464 HETA 7 LIG C5 CG3C52 -0.181000 12.0110 0 0.00000 -0.301140E-02 465 HETA 7 LIG H4 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 466 HETA 7 LIG H3 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 467 HETA 7 LIG H5 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 468 HETA 7 LIG H6 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 469 HETA 7 LIG C8 CG331 -0.270000 12.0110 0 0.00000 -0.301140E-02 470 HETA 7 LIG H10 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 471 HETA 7 LIG H11 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 472 HETA 7 LIG H12 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 473 HETA 7 LIG C6 CG321 -0.192000 12.0110 0 0.00000 -0.301140E-02 474 HETA 7 LIG C10 CG321 -0.169000 12.0110 0 0.00000 -0.301140E-02 475 HETA 7 LIG H8 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 476 HETA 7 LIG H7 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 477 HETA 7 LIG H13 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 478 HETA 7 LIG H14 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 479 HETA 7 LIG C12 CG2DC1 -0.157000 12.0110 0 0.00000 -0.301140E-02 480 HETA 7 LIG C9 CG2DC1 0.350000E-01 12.0110 0 0.00000 -0.301140E-02 481 HETA 7 LIG H17 HGA4 0.150000 1.00800 0 0.00000 -0.301140E-02 482 HETA 7 LIG C15 CG2DC2 -0.148000 12.0110 0 0.00000 -0.301140E-02 483 HETA 7 LIG C17 CG2DC2 -0.149000 12.0110 0 0.00000 -0.301140E-02 484 HETA 7 LIG H23 HGA4 0.150000 1.00800 0 0.00000 -0.301140E-02 485 HETA 7 LIG H26 HGA4 0.150000 1.00800 0 0.00000 -0.301140E-02 486 HETA 7 LIG C19 CG2DC1 0.190000E-01 12.0110 0 0.00000 -0.301140E-02 487 HETA 7 LIG C23 CG2DC1 0.300000E-02 12.0110 0 0.00000 -0.301140E-02 488 HETA 7 LIG C27 CG331 -0.268000 12.0110 0 0.00000 -0.301140E-02 489 HETA 7 LIG H43 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 490 HETA 7 LIG H42 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 491 HETA 7 LIG H41 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 492 HETA 7 LIG C25 CG321 -0.182000 12.0110 0 0.00000 -0.301140E-02 493 HETA 7 LIG C26 CG321 -0.180000 12.0110 0 0.00000 -0.301140E-02 494 HETA 7 LIG H38 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 495 HETA 7 LIG H37 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 496 HETA 7 LIG H39 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 497 HETA 7 LIG H40 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 498 HETA 7 LIG C24 CG311 0.140000 12.0110 0 0.00000 -0.301140E-02 499 HETA 7 LIG C20 CG321 -0.201000 12.0110 0 0.00000 -0.301140E-02 500 HETA 7 LIG H36 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 501 HETA 7 LIG H29 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 502 HETA 7 LIG H28 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 503 HETA 7 LIG O OG311 -0.651000 15.9994 0 0.00000 -0.301140E-02 504 HETA 7 LIG H44 HGP1 0.419000 1.00800 0 0.00000 -0.301140E-02 505 HETA 8 LIG C3 CG3RC1 -0.132000 12.0110 0 0.00000 -0.301140E-02 506 HETA 8 LIG C1 CG3RC1 -0.200000E-02 12.0110 0 0.00000 -0.301140E-02 507 HETA 8 LIG H2 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 508 HETA 8 LIG C2 CG3C51 -0.940000E-01 12.0110 0 0.00000 -0.301140E-02 509 HETA 8 LIG C7 CG311 -0.940000E-01 12.0110 0 0.00000 -0.301140E-02 510 HETA 8 LIG H1 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 511 HETA 8 LIG H9 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 512 HETA 8 LIG C13 CG331 -0.272000 12.0110 0 0.00000 -0.301140E-02 513 HETA 8 LIG H18 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 514 HETA 8 LIG H19 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 515 HETA 8 LIG H20 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 516 HETA 8 LIG C11 CG321 -0.172000 12.0110 0 0.00000 -0.301140E-02 517 HETA 8 LIG C14 CG321 -0.175000 12.0110 0 0.00000 -0.301140E-02 518 HETA 8 LIG H15 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 519 HETA 8 LIG H16 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 520 HETA 8 LIG H21 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 521 HETA 8 LIG H22 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 522 HETA 8 LIG C16 CG321 -0.171000 12.0110 0 0.00000 -0.301140E-02 523 HETA 8 LIG C18 CG311 -0.830000E-01 12.0110 0 0.00000 -0.301140E-02 524 HETA 8 LIG H25 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 525 HETA 8 LIG H24 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 526 HETA 8 LIG H27 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 527 HETA 8 LIG C22 CG331 -0.271000 12.0110 0 0.00000 -0.301140E-02 528 HETA 8 LIG H33 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 529 HETA 8 LIG H34 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 530 HETA 8 LIG H35 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 531 HETA 8 LIG C21 CG331 -0.271000 12.0110 0 0.00000 -0.301140E-02 532 HETA 8 LIG H32 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 533 HETA 8 LIG H30 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 534 HETA 8 LIG H31 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 535 HETA 8 LIG C4 CG3C52 -0.181000 12.0110 0 0.00000 -0.301140E-02 536 HETA 8 LIG C5 CG3C52 -0.181000 12.0110 0 0.00000 -0.301140E-02 537 HETA 8 LIG H4 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 538 HETA 8 LIG H3 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 539 HETA 8 LIG H5 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 540 HETA 8 LIG H6 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 541 HETA 8 LIG C8 CG331 -0.270000 12.0110 0 0.00000 -0.301140E-02 542 HETA 8 LIG H10 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 543 HETA 8 LIG H11 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 544 HETA 8 LIG H12 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 545 HETA 8 LIG C6 CG321 -0.192000 12.0110 0 0.00000 -0.301140E-02 546 HETA 8 LIG C10 CG321 -0.169000 12.0110 0 0.00000 -0.301140E-02 547 HETA 8 LIG H8 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 548 HETA 8 LIG H7 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 549 HETA 8 LIG H13 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 550 HETA 8 LIG H14 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 551 HETA 8 LIG C12 CG2DC1 -0.157000 12.0110 0 0.00000 -0.301140E-02 552 HETA 8 LIG C9 CG2DC1 0.350000E-01 12.0110 0 0.00000 -0.301140E-02 553 HETA 8 LIG H17 HGA4 0.150000 1.00800 0 0.00000 -0.301140E-02 554 HETA 8 LIG C15 CG2DC2 -0.148000 12.0110 0 0.00000 -0.301140E-02 555 HETA 8 LIG C17 CG2DC2 -0.149000 12.0110 0 0.00000 -0.301140E-02 556 HETA 8 LIG H23 HGA4 0.150000 1.00800 0 0.00000 -0.301140E-02 557 HETA 8 LIG H26 HGA4 0.150000 1.00800 0 0.00000 -0.301140E-02 558 HETA 8 LIG C19 CG2DC1 0.190000E-01 12.0110 0 0.00000 -0.301140E-02 559 HETA 8 LIG C23 CG2DC1 0.300000E-02 12.0110 0 0.00000 -0.301140E-02 560 HETA 8 LIG C27 CG331 -0.268000 12.0110 0 0.00000 -0.301140E-02 561 HETA 8 LIG H43 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 562 HETA 8 LIG H42 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 563 HETA 8 LIG H41 HGA3 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 564 HETA 8 LIG C25 CG321 -0.182000 12.0110 0 0.00000 -0.301140E-02 565 HETA 8 LIG C26 CG321 -0.180000 12.0110 0 0.00000 -0.301140E-02 566 HETA 8 LIG H38 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 567 HETA 8 LIG H37 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 568 HETA 8 LIG H39 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 569 HETA 8 LIG H40 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 570 HETA 8 LIG C24 CG311 0.140000 12.0110 0 0.00000 -0.301140E-02 571 HETA 8 LIG C20 CG321 -0.201000 12.0110 0 0.00000 -0.301140E-02 572 HETA 8 LIG H36 HGA1 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 573 HETA 8 LIG H29 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 574 HETA 8 LIG H28 HGA2 0.900000E-01 1.00800 0 0.00000 -0.301140E-02 575 HETA 8 LIG O OG311 -0.651000 15.9994 0 0.00000 -0.301140E-02 576 HETA 8 LIG H44 HGP1 0.419000 1.00800 0 0.00000 -0.301140E-02 8 !NCRTERM: cross-terms 67 54 51 50 51 50 48 1 139 126 123 122 123 122 120 73 211 198 195 194 195 194 192 145 283 270 267 266 267 266 264 217 355 342 339 338 339 338 336 289 427 414 411 410 411 410 408 361 499 486 483 482 483 482 480 433 571 558 555 554 555 554 552 505