PSF CMAP CHEQ 2 !NTITLE * HUMAN PHOSPHOLIPID SCRAMBLASE 1 FROM HUMAN_PLSCR1_B99990001.PDB * DATE: 3/24/14 22:14:19 CREATED BY USER: annesc 296 !NATOM 1 PROT 1 LYS HT1 HC 0.300000 1.00800 0 0.00000 -0.301140E-02 2 PROT 1 LYS HT2 HC 0.300000 1.00800 0 0.00000 -0.301140E-02 3 PROT 1 LYS N NH3 -0.900000 14.0067 0 0.00000 -0.301140E-02 4 PROT 1 LYS HT3 HC 0.300000 1.00800 0 0.00000 -0.301140E-02 5 PROT 1 LYS CA CH1E 0.00000 13.0190 0 0.00000 -0.301140E-02 6 PROT 1 LYS CB CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 7 PROT 1 LYS CG CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 8 PROT 1 LYS CD CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 9 PROT 1 LYS CE CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 10 PROT 1 LYS NZ NH3 -0.900000 14.0067 0 0.00000 -0.301140E-02 11 PROT 1 LYS HZ1 HC 0.300000 1.00800 0 0.00000 -0.301140E-02 12 PROT 1 LYS HZ2 HC 0.300000 1.00800 0 0.00000 -0.301140E-02 13 PROT 1 LYS HZ3 HC 0.300000 1.00800 0 0.00000 -0.301140E-02 14 PROT 1 LYS C C 0.550000 12.0110 0 0.00000 -0.301140E-02 15 PROT 1 LYS O O -0.550000 15.9994 0 0.00000 -0.301140E-02 16 PROT 2 MET N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 17 PROT 2 MET H H 0.250000 1.00800 0 0.00000 -0.301140E-02 18 PROT 2 MET CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 19 PROT 2 MET CB CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 20 PROT 2 MET CG CH2E 0.600000E-01 14.0270 0 0.00000 -0.301140E-02 21 PROT 2 MET SD S -0.120000 32.0600 0 0.00000 -0.301140E-02 22 PROT 2 MET CE CH3E 0.600000E-01 15.0350 0 0.00000 -0.301140E-02 23 PROT 2 MET C C 0.550000 12.0110 0 0.00000 -0.301140E-02 24 PROT 2 MET O O -0.550000 15.9994 0 0.00000 -0.301140E-02 25 PROT 3 LYS N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 26 PROT 3 LYS H H 0.250000 1.00800 0 0.00000 -0.301140E-02 27 PROT 3 LYS CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 28 PROT 3 LYS CB CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 29 PROT 3 LYS CG CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 30 PROT 3 LYS CD CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 31 PROT 3 LYS CE CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 32 PROT 3 LYS NZ NH3 -0.900000 14.0067 0 0.00000 -0.301140E-02 33 PROT 3 LYS HZ1 HC 0.300000 1.00800 0 0.00000 -0.301140E-02 34 PROT 3 LYS HZ2 HC 0.300000 1.00800 0 0.00000 -0.301140E-02 35 PROT 3 LYS HZ3 HC 0.300000 1.00800 0 0.00000 -0.301140E-02 36 PROT 3 LYS C C 0.550000 12.0110 0 0.00000 -0.301140E-02 37 PROT 3 LYS O O -0.550000 15.9994 0 0.00000 -0.301140E-02 38 PROT 4 ALA N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 39 PROT 4 ALA H H 0.250000 1.00800 0 0.00000 -0.301140E-02 40 PROT 4 ALA CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 41 PROT 4 ALA CB CH3E 0.00000 15.0350 0 0.00000 -0.301140E-02 42 PROT 4 ALA C C 0.550000 12.0110 0 0.00000 -0.301140E-02 43 PROT 4 ALA O O -0.550000 15.9994 0 0.00000 -0.301140E-02 44 PROT 5 VAL N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 45 PROT 5 VAL H H 0.250000 1.00800 0 0.00000 -0.301140E-02 46 PROT 5 VAL CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 47 PROT 5 VAL CB CH1E 0.00000 13.0190 0 0.00000 -0.301140E-02 48 PROT 5 VAL CG1 CH3E 0.00000 15.0350 0 0.00000 -0.301140E-02 49 PROT 5 VAL CG2 CH3E 0.00000 15.0350 0 0.00000 -0.301140E-02 50 PROT 5 VAL C C 0.550000 12.0110 0 0.00000 -0.301140E-02 51 PROT 5 VAL O O -0.550000 15.9994 0 0.00000 -0.301140E-02 52 PROT 6 MET N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 53 PROT 6 MET H H 0.250000 1.00800 0 0.00000 -0.301140E-02 54 PROT 6 MET CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 55 PROT 6 MET CB CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 56 PROT 6 MET CG CH2E 0.600000E-01 14.0270 0 0.00000 -0.301140E-02 57 PROT 6 MET SD S -0.120000 32.0600 0 0.00000 -0.301140E-02 58 PROT 6 MET CE CH3E 0.600000E-01 15.0350 0 0.00000 -0.301140E-02 59 PROT 6 MET C C 0.550000 12.0110 0 0.00000 -0.301140E-02 60 PROT 6 MET O O -0.550000 15.9994 0 0.00000 -0.301140E-02 61 PROT 7 ILE N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 62 PROT 7 ILE H H 0.250000 1.00800 0 0.00000 -0.301140E-02 63 PROT 7 ILE CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 64 PROT 7 ILE CB CH1E 0.00000 13.0190 0 0.00000 -0.301140E-02 65 PROT 7 ILE CG2 CH3E 0.00000 15.0350 0 0.00000 -0.301140E-02 66 PROT 7 ILE CG1 CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 67 PROT 7 ILE CD CH3E 0.00000 15.0350 0 0.00000 -0.301140E-02 68 PROT 7 ILE C C 0.550000 12.0110 0 0.00000 -0.301140E-02 69 PROT 7 ILE O O -0.550000 15.9994 0 0.00000 -0.301140E-02 70 PROT 8 GLY N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 71 PROT 8 GLY H H 0.250000 1.00800 0 0.00000 -0.301140E-02 72 PROT 8 GLY CA CH2E 0.100000 14.0270 0 0.00000 -0.301140E-02 73 PROT 8 GLY C C 0.550000 12.0110 0 0.00000 -0.301140E-02 74 PROT 8 GLY O O -0.550000 15.9994 0 0.00000 -0.301140E-02 75 PROT 9 ALA N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 76 PROT 9 ALA H H 0.250000 1.00800 0 0.00000 -0.301140E-02 77 PROT 9 ALA CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 78 PROT 9 ALA CB CH3E 0.00000 15.0350 0 0.00000 -0.301140E-02 79 PROT 9 ALA C C 0.550000 12.0110 0 0.00000 -0.301140E-02 80 PROT 9 ALA O O -0.550000 15.9994 0 0.00000 -0.301140E-02 81 PROT 10 CYS N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 82 PROT 10 CYS H H 0.250000 1.00800 0 0.00000 -0.301140E-02 83 PROT 10 CYS CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 84 PROT 10 CYS CB CH2E 0.190000 14.0270 0 0.00000 -0.301140E-02 85 PROT 10 CYS SG SH1E -0.190000 33.0680 0 0.00000 -0.301140E-02 86 PROT 10 CYS C C 0.550000 12.0110 0 0.00000 -0.301140E-02 87 PROT 10 CYS O O -0.550000 15.9994 0 0.00000 -0.301140E-02 88 PROT 11 PHE N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 89 PROT 11 PHE H H 0.250000 1.00800 0 0.00000 -0.301140E-02 90 PROT 11 PHE CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 91 PROT 11 PHE CB CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 92 PROT 11 PHE CG CR 0.00000 12.0110 0 0.00000 -0.301140E-02 93 PROT 11 PHE CD1 CR1E 0.00000 13.0190 0 0.00000 -0.301140E-02 94 PROT 11 PHE CD2 CR1E 0.00000 13.0190 0 0.00000 -0.301140E-02 95 PROT 11 PHE CE1 CR1E 0.00000 13.0190 0 0.00000 -0.301140E-02 96 PROT 11 PHE CE2 CR1E 0.00000 13.0190 0 0.00000 -0.301140E-02 97 PROT 11 PHE CZ CR1E 0.00000 13.0190 0 0.00000 -0.301140E-02 98 PROT 11 PHE C C 0.550000 12.0110 0 0.00000 -0.301140E-02 99 PROT 11 PHE O O -0.550000 15.9994 0 0.00000 -0.301140E-02 100 PROT 12 LEU N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 101 PROT 12 LEU H H 0.250000 1.00800 0 0.00000 -0.301140E-02 102 PROT 12 LEU CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 103 PROT 12 LEU CB CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 104 PROT 12 LEU CG CH1E 0.00000 13.0190 0 0.00000 -0.301140E-02 105 PROT 12 LEU CD1 CH3E 0.00000 15.0350 0 0.00000 -0.301140E-02 106 PROT 12 LEU CD2 CH3E 0.00000 15.0350 0 0.00000 -0.301140E-02 107 PROT 12 LEU C C 0.550000 12.0110 0 0.00000 -0.301140E-02 108 PROT 12 LEU O O -0.550000 15.9994 0 0.00000 -0.301140E-02 109 PROT 13 ILE N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 110 PROT 13 ILE H H 0.250000 1.00800 0 0.00000 -0.301140E-02 111 PROT 13 ILE CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 112 PROT 13 ILE CB CH1E 0.00000 13.0190 0 0.00000 -0.301140E-02 113 PROT 13 ILE CG2 CH3E 0.00000 15.0350 0 0.00000 -0.301140E-02 114 PROT 13 ILE CG1 CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 115 PROT 13 ILE CD CH3E 0.00000 15.0350 0 0.00000 -0.301140E-02 116 PROT 13 ILE C C 0.550000 12.0110 0 0.00000 -0.301140E-02 117 PROT 13 ILE O O -0.550000 15.9994 0 0.00000 -0.301140E-02 118 PROT 14 ASP N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 119 PROT 14 ASP H H 0.250000 1.00800 0 0.00000 -0.301140E-02 120 PROT 14 ASP CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 121 PROT 14 ASP CB CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 122 PROT 14 ASP CG C 1.00000 12.0110 0 0.00000 -0.301140E-02 123 PROT 14 ASP OD1 OC -0.500000 15.9994 0 0.00000 -0.301140E-02 124 PROT 14 ASP OD2 OC -0.500000 15.9994 0 0.00000 -0.301140E-02 125 PROT 14 ASP C C 0.550000 12.0110 0 0.00000 -0.301140E-02 126 PROT 14 ASP O O -0.550000 15.9994 0 0.00000 -0.301140E-02 127 PROT 15 PHE N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 128 PROT 15 PHE H H 0.250000 1.00800 0 0.00000 -0.301140E-02 129 PROT 15 PHE CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 130 PROT 15 PHE CB CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 131 PROT 15 PHE CG CR 0.00000 12.0110 0 0.00000 -0.301140E-02 132 PROT 15 PHE CD1 CR1E 0.00000 13.0190 0 0.00000 -0.301140E-02 133 PROT 15 PHE CD2 CR1E 0.00000 13.0190 0 0.00000 -0.301140E-02 134 PROT 15 PHE CE1 CR1E 0.00000 13.0190 0 0.00000 -0.301140E-02 135 PROT 15 PHE CE2 CR1E 0.00000 13.0190 0 0.00000 -0.301140E-02 136 PROT 15 PHE CZ CR1E 0.00000 13.0190 0 0.00000 -0.301140E-02 137 PROT 15 PHE C C 0.550000 12.0110 0 0.00000 -0.301140E-02 138 PROT 15 PHE O O -0.550000 15.9994 0 0.00000 -0.301140E-02 139 PROT 16 MET N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 140 PROT 16 MET H H 0.250000 1.00800 0 0.00000 -0.301140E-02 141 PROT 16 MET CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 142 PROT 16 MET CB CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 143 PROT 16 MET CG CH2E 0.600000E-01 14.0270 0 0.00000 -0.301140E-02 144 PROT 16 MET SD S -0.120000 32.0600 0 0.00000 -0.301140E-02 145 PROT 16 MET CE CH3E 0.600000E-01 15.0350 0 0.00000 -0.301140E-02 146 PROT 16 MET C C 0.550000 12.0110 0 0.00000 -0.301140E-02 147 PROT 16 MET O O -0.550000 15.9994 0 0.00000 -0.301140E-02 148 PROT 17 PHE N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 149 PROT 17 PHE H H 0.250000 1.00800 0 0.00000 -0.301140E-02 150 PROT 17 PHE CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 151 PROT 17 PHE CB CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 152 PROT 17 PHE CG CR 0.00000 12.0110 0 0.00000 -0.301140E-02 153 PROT 17 PHE CD1 CR1E 0.00000 13.0190 0 0.00000 -0.301140E-02 154 PROT 17 PHE CD2 CR1E 0.00000 13.0190 0 0.00000 -0.301140E-02 155 PROT 17 PHE CE1 CR1E 0.00000 13.0190 0 0.00000 -0.301140E-02 156 PROT 17 PHE CE2 CR1E 0.00000 13.0190 0 0.00000 -0.301140E-02 157 PROT 17 PHE CZ CR1E 0.00000 13.0190 0 0.00000 -0.301140E-02 158 PROT 17 PHE C C 0.550000 12.0110 0 0.00000 -0.301140E-02 159 PROT 17 PHE O O -0.550000 15.9994 0 0.00000 -0.301140E-02 160 PROT 18 PHE N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 161 PROT 18 PHE H H 0.250000 1.00800 0 0.00000 -0.301140E-02 162 PROT 18 PHE CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 163 PROT 18 PHE CB CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 164 PROT 18 PHE CG CR 0.00000 12.0110 0 0.00000 -0.301140E-02 165 PROT 18 PHE CD1 CR1E 0.00000 13.0190 0 0.00000 -0.301140E-02 166 PROT 18 PHE CD2 CR1E 0.00000 13.0190 0 0.00000 -0.301140E-02 167 PROT 18 PHE CE1 CR1E 0.00000 13.0190 0 0.00000 -0.301140E-02 168 PROT 18 PHE CE2 CR1E 0.00000 13.0190 0 0.00000 -0.301140E-02 169 PROT 18 PHE CZ CR1E 0.00000 13.0190 0 0.00000 -0.301140E-02 170 PROT 18 PHE C C 0.550000 12.0110 0 0.00000 -0.301140E-02 171 PROT 18 PHE O O -0.550000 15.9994 0 0.00000 -0.301140E-02 172 PROT 19 GLU N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 173 PROT 19 GLU H H 0.250000 1.00800 0 0.00000 -0.301140E-02 174 PROT 19 GLU CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 175 PROT 19 GLU CB CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 176 PROT 19 GLU CG CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 177 PROT 19 GLU CD C 1.00000 12.0110 0 0.00000 -0.301140E-02 178 PROT 19 GLU OE1 OC -0.500000 15.9994 0 0.00000 -0.301140E-02 179 PROT 19 GLU OE2 OC -0.500000 15.9994 0 0.00000 -0.301140E-02 180 PROT 19 GLU C C 0.550000 12.0110 0 0.00000 -0.301140E-02 181 PROT 19 GLU O O -0.550000 15.9994 0 0.00000 -0.301140E-02 182 PROT 20 SER N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 183 PROT 20 SER H H 0.250000 1.00800 0 0.00000 -0.301140E-02 184 PROT 20 SER CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 185 PROT 20 SER CB CH2E 0.250000 14.0270 0 0.00000 -0.301140E-02 186 PROT 20 SER OG OH1 -0.550000 15.9994 0 0.00000 -0.301140E-02 187 PROT 20 SER HG H 0.300000 1.00800 0 0.00000 -0.301140E-02 188 PROT 20 SER C C 0.550000 12.0110 0 0.00000 -0.301140E-02 189 PROT 20 SER O O -0.550000 15.9994 0 0.00000 -0.301140E-02 190 PROT 21 THR N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 191 PROT 21 THR H H 0.250000 1.00800 0 0.00000 -0.301140E-02 192 PROT 21 THR CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 193 PROT 21 THR CB CH1E 0.250000 13.0190 0 0.00000 -0.301140E-02 194 PROT 21 THR OG1 OH1 -0.550000 15.9994 0 0.00000 -0.301140E-02 195 PROT 21 THR HG1 H 0.300000 1.00800 0 0.00000 -0.301140E-02 196 PROT 21 THR CG2 CH3E 0.00000 15.0350 0 0.00000 -0.301140E-02 197 PROT 21 THR C C 0.550000 12.0110 0 0.00000 -0.301140E-02 198 PROT 21 THR O O -0.550000 15.9994 0 0.00000 -0.301140E-02 199 PROT 22 GLY N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 200 PROT 22 GLY H H 0.250000 1.00800 0 0.00000 -0.301140E-02 201 PROT 22 GLY CA CH2E 0.100000 14.0270 0 0.00000 -0.301140E-02 202 PROT 22 GLY C C 0.550000 12.0110 0 0.00000 -0.301140E-02 203 PROT 22 GLY O O -0.550000 15.9994 0 0.00000 -0.301140E-02 204 PROT 23 SER N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 205 PROT 23 SER H H 0.250000 1.00800 0 0.00000 -0.301140E-02 206 PROT 23 SER CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 207 PROT 23 SER CB CH2E 0.250000 14.0270 0 0.00000 -0.301140E-02 208 PROT 23 SER OG OH1 -0.550000 15.9994 0 0.00000 -0.301140E-02 209 PROT 23 SER HG H 0.300000 1.00800 0 0.00000 -0.301140E-02 210 PROT 23 SER C C 0.550000 12.0110 0 0.00000 -0.301140E-02 211 PROT 23 SER O O -0.550000 15.9994 0 0.00000 -0.301140E-02 212 PROT 24 GLN N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 213 PROT 24 GLN H H 0.250000 1.00800 0 0.00000 -0.301140E-02 214 PROT 24 GLN CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 215 PROT 24 GLN CB CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 216 PROT 24 GLN CG CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 217 PROT 24 GLN CD C 0.550000 12.0110 0 0.00000 -0.301140E-02 218 PROT 24 GLN OE1 O -0.550000 15.9994 0 0.00000 -0.301140E-02 219 PROT 24 GLN NE2 NH2 -0.500000 14.0067 0 0.00000 -0.301140E-02 220 PROT 24 GLN HE21 H 0.250000 1.00800 0 0.00000 -0.301140E-02 221 PROT 24 GLN HE22 H 0.250000 1.00800 0 0.00000 -0.301140E-02 222 PROT 24 GLN C C 0.550000 12.0110 0 0.00000 -0.301140E-02 223 PROT 24 GLN O O -0.550000 15.9994 0 0.00000 -0.301140E-02 224 PROT 25 GLU N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 225 PROT 25 GLU H H 0.250000 1.00800 0 0.00000 -0.301140E-02 226 PROT 25 GLU CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 227 PROT 25 GLU CB CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 228 PROT 25 GLU CG CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 229 PROT 25 GLU CD C 1.00000 12.0110 0 0.00000 -0.301140E-02 230 PROT 25 GLU OE1 OC -0.500000 15.9994 0 0.00000 -0.301140E-02 231 PROT 25 GLU OE2 OC -0.500000 15.9994 0 0.00000 -0.301140E-02 232 PROT 25 GLU C C 0.550000 12.0110 0 0.00000 -0.301140E-02 233 PROT 25 GLU O O -0.550000 15.9994 0 0.00000 -0.301140E-02 234 PROT 26 GLN N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 235 PROT 26 GLN H H 0.250000 1.00800 0 0.00000 -0.301140E-02 236 PROT 26 GLN CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 237 PROT 26 GLN CB CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 238 PROT 26 GLN CG CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 239 PROT 26 GLN CD C 0.550000 12.0110 0 0.00000 -0.301140E-02 240 PROT 26 GLN OE1 O -0.550000 15.9994 0 0.00000 -0.301140E-02 241 PROT 26 GLN NE2 NH2 -0.500000 14.0067 0 0.00000 -0.301140E-02 242 PROT 26 GLN HE21 H 0.250000 1.00800 0 0.00000 -0.301140E-02 243 PROT 26 GLN HE22 H 0.250000 1.00800 0 0.00000 -0.301140E-02 244 PROT 26 GLN C C 0.550000 12.0110 0 0.00000 -0.301140E-02 245 PROT 26 GLN O O -0.550000 15.9994 0 0.00000 -0.301140E-02 246 PROT 27 LYS N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 247 PROT 27 LYS H H 0.250000 1.00800 0 0.00000 -0.301140E-02 248 PROT 27 LYS CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 249 PROT 27 LYS CB CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 250 PROT 27 LYS CG CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 251 PROT 27 LYS CD CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 252 PROT 27 LYS CE CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 253 PROT 27 LYS NZ NH3 -0.900000 14.0067 0 0.00000 -0.301140E-02 254 PROT 27 LYS HZ1 HC 0.300000 1.00800 0 0.00000 -0.301140E-02 255 PROT 27 LYS HZ2 HC 0.300000 1.00800 0 0.00000 -0.301140E-02 256 PROT 27 LYS HZ3 HC 0.300000 1.00800 0 0.00000 -0.301140E-02 257 PROT 27 LYS C C 0.550000 12.0110 0 0.00000 -0.301140E-02 258 PROT 27 LYS O O -0.550000 15.9994 0 0.00000 -0.301140E-02 259 PROT 28 SER N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 260 PROT 28 SER H H 0.250000 1.00800 0 0.00000 -0.301140E-02 261 PROT 28 SER CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 262 PROT 28 SER CB CH2E 0.250000 14.0270 0 0.00000 -0.301140E-02 263 PROT 28 SER OG OH1 -0.550000 15.9994 0 0.00000 -0.301140E-02 264 PROT 28 SER HG H 0.300000 1.00800 0 0.00000 -0.301140E-02 265 PROT 28 SER C C 0.550000 12.0110 0 0.00000 -0.301140E-02 266 PROT 28 SER O O -0.550000 15.9994 0 0.00000 -0.301140E-02 267 PROT 29 GLY N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 268 PROT 29 GLY H H 0.250000 1.00800 0 0.00000 -0.301140E-02 269 PROT 29 GLY CA CH2E 0.100000 14.0270 0 0.00000 -0.301140E-02 270 PROT 29 GLY C C 0.550000 12.0110 0 0.00000 -0.301140E-02 271 PROT 29 GLY O O -0.550000 15.9994 0 0.00000 -0.301140E-02 272 PROT 30 VAL N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 273 PROT 30 VAL H H 0.250000 1.00800 0 0.00000 -0.301140E-02 274 PROT 30 VAL CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 275 PROT 30 VAL CB CH1E 0.00000 13.0190 0 0.00000 -0.301140E-02 276 PROT 30 VAL CG1 CH3E 0.00000 15.0350 0 0.00000 -0.301140E-02 277 PROT 30 VAL CG2 CH3E 0.00000 15.0350 0 0.00000 -0.301140E-02 278 PROT 30 VAL C C 0.550000 12.0110 0 0.00000 -0.301140E-02 279 PROT 30 VAL O O -0.550000 15.9994 0 0.00000 -0.301140E-02 280 PROT 31 TRP N NH1 -0.350000 14.0067 0 0.00000 -0.301140E-02 281 PROT 31 TRP H H 0.250000 1.00800 0 0.00000 -0.301140E-02 282 PROT 31 TRP CA CH1E 0.100000 13.0190 0 0.00000 -0.301140E-02 283 PROT 31 TRP CB CH2E 0.00000 14.0270 0 0.00000 -0.301140E-02 284 PROT 31 TRP CG CR -0.300000E-01 12.0110 0 0.00000 -0.301140E-02 285 PROT 31 TRP CD2 CR 0.100000 12.0110 0 0.00000 -0.301140E-02 286 PROT 31 TRP CE2 CR -0.400000E-01 12.0110 0 0.00000 -0.301140E-02 287 PROT 31 TRP CE3 CR1E -0.300000E-01 13.0190 0 0.00000 -0.301140E-02 288 PROT 31 TRP CD1 CR1E 0.600000E-01 13.0190 0 0.00000 -0.301140E-02 289 PROT 31 TRP NE1 NH1 -0.360000 14.0067 0 0.00000 -0.301140E-02 290 PROT 31 TRP HE1 H 0.300000 1.00800 0 0.00000 -0.301140E-02 291 PROT 31 TRP CZ2 CR1E 0.00000 13.0190 0 0.00000 -0.301140E-02 292 PROT 31 TRP CZ3 CR1E 0.00000 13.0190 0 0.00000 -0.301140E-02 293 PROT 31 TRP CH2 CR1E 0.00000 13.0190 0 0.00000 -0.301140E-02 294 PROT 31 TRP C C 1.00000 12.0110 0 0.00000 -0.301140E-02 295 PROT 31 TRP OT1 OC -0.500000 15.9994 0 0.00000 -0.301140E-02 296 PROT 31 TRP OT2 OC -0.500000 15.9994 0 0.00000 -0.301140E-02 301 !NBOND: bonds 1 3 2 3 4 3 3 5 5 14 14 16 14 15 5 6 6 7 7 8 8 9 9 10 10 11 10 12 10 13 16 18 18 23 23 25 23 24 16 17 18 19 19 20 20 21 21 22 25 27 27 36 36 38 36 37 25 26 27 28 28 29 29 30 30 31 31 32 32 33 32 34 32 35 38 40 40 42 42 44 42 43 38 39 40 41 44 46 46 50 50 52 50 51 44 45 46 47 47 48 47 49 52 54 54 59 59 61 59 60 52 53 54 55 55 56 56 57 57 58 61 63 63 68 68 70 68 69 61 62 63 64 64 66 64 65 66 67 70 72 72 73 73 75 73 74 70 71 75 77 77 79 79 81 79 80 75 76 77 78 81 83 83 86 86 88 86 87 81 82 83 84 84 85 88 90 90 98 98 100 98 99 88 89 90 91 91 92 92 93 92 94 93 95 94 96 95 97 96 97 100 102 102 107 107 109 107 108 100 101 102 103 103 104 104 105 104 106 109 111 111 116 116 118 116 117 109 110 111 112 112 114 112 113 114 115 118 120 120 125 125 127 125 126 118 119 120 121 121 122 122 123 122 124 127 129 129 137 137 139 137 138 127 128 129 130 130 131 131 132 131 133 132 134 133 135 134 136 135 136 139 141 141 146 146 148 146 147 139 140 141 142 142 143 143 144 144 145 148 150 150 158 158 160 158 159 148 149 150 151 151 152 152 153 152 154 153 155 154 156 155 157 156 157 160 162 162 170 170 172 170 171 160 161 162 163 163 164 164 165 164 166 165 167 166 168 167 169 168 169 172 174 174 180 180 182 180 181 172 173 174 175 175 176 176 177 177 178 177 179 182 184 184 188 188 190 188 189 182 183 184 185 185 186 186 187 190 192 192 197 197 199 197 198 190 191 192 193 193 194 193 196 194 195 199 201 201 202 202 204 202 203 199 200 204 206 206 210 210 212 210 211 204 205 206 207 207 208 208 209 212 214 214 222 222 224 222 223 212 213 214 215 215 216 216 217 217 218 217 219 219 220 219 221 224 226 226 232 232 234 232 233 224 225 226 227 227 228 228 229 229 230 229 231 234 236 236 244 244 246 244 245 234 235 236 237 237 238 238 239 239 240 239 241 241 242 241 243 246 248 248 257 257 259 257 258 246 247 248 249 249 250 250 251 251 252 252 253 253 254 253 255 253 256 259 261 261 265 265 267 265 266 259 260 261 262 262 263 263 264 267 269 269 270 270 272 270 271 267 268 272 274 274 278 278 280 278 279 272 273 274 275 275 276 275 277 280 282 282 294 280 281 282 283 283 284 284 288 284 285 288 289 285 286 289 290 289 286 285 287 286 291 287 292 291 293 292 293 294 295 294 296 428 !NTHETA: angles 1 3 2 1 3 4 1 3 5 2 3 4 2 3 5 4 3 5 3 5 6 3 5 14 6 5 14 5 6 7 6 7 8 7 8 9 8 9 10 9 10 11 9 10 12 9 10 13 11 10 12 11 10 13 12 10 13 5 14 15 5 14 16 15 14 16 14 16 17 14 16 18 17 16 18 16 18 19 16 18 23 19 18 23 18 19 20 19 20 21 20 21 22 18 23 24 18 23 25 24 23 25 23 25 26 23 25 27 26 25 27 25 27 28 25 27 36 28 27 36 27 28 29 28 29 30 29 30 31 30 31 32 31 32 33 31 32 34 31 32 35 33 32 34 33 32 35 34 32 35 27 36 37 27 36 38 37 36 38 36 38 39 36 38 40 39 38 40 38 40 41 38 40 42 41 40 42 40 42 43 40 42 44 43 42 44 42 44 45 42 44 46 45 44 46 44 46 47 44 46 50 47 46 50 46 47 48 46 47 49 48 47 49 46 50 51 46 50 52 51 50 52 50 52 53 50 52 54 53 52 54 52 54 55 52 54 59 55 54 59 54 55 56 55 56 57 56 57 58 54 59 60 54 59 61 60 59 61 59 61 62 59 61 63 62 61 63 61 63 64 61 63 68 64 63 68 63 64 65 63 64 66 65 64 66 64 66 67 63 68 69 63 68 70 69 68 70 68 70 71 68 70 72 71 70 72 70 72 73 72 73 74 72 73 75 74 73 75 73 75 76 73 75 77 76 75 77 75 77 78 75 77 79 78 77 79 77 79 80 77 79 81 80 79 81 79 81 82 79 81 83 82 81 83 81 83 84 81 83 86 84 83 86 83 84 85 83 86 87 83 86 88 87 86 88 86 88 89 86 88 90 89 88 90 88 90 91 88 90 98 91 90 98 90 91 92 91 92 93 91 92 94 93 92 94 92 93 95 92 94 96 93 95 97 94 96 97 95 97 96 90 98 99 90 98 100 99 98 100 98 100 101 98 100 102 101 100 102 100 102 103 100 102 107 103 102 107 102 103 104 103 104 105 103 104 106 105 104 106 102 107 108 102 107 109 108 107 109 107 109 110 107 109 111 110 109 111 109 111 112 109 111 116 112 111 116 111 112 113 111 112 114 113 112 114 112 114 115 111 116 117 111 116 118 117 116 118 116 118 119 116 118 120 119 118 120 118 120 121 118 120 125 121 120 125 120 121 122 121 122 123 121 122 124 123 122 124 120 125 126 120 125 127 126 125 127 125 127 128 125 127 129 128 127 129 127 129 130 127 129 137 130 129 137 129 130 131 130 131 132 130 131 133 132 131 133 131 132 134 131 133 135 132 134 136 133 135 136 134 136 135 129 137 138 129 137 139 138 137 139 137 139 140 137 139 141 140 139 141 139 141 142 139 141 146 142 141 146 141 142 143 142 143 144 143 144 145 141 146 147 141 146 148 147 146 148 146 148 149 146 148 150 149 148 150 148 150 151 148 150 158 151 150 158 150 151 152 151 152 153 151 152 154 153 152 154 152 153 155 152 154 156 153 155 157 154 156 157 155 157 156 150 158 159 150 158 160 159 158 160 158 160 161 158 160 162 161 160 162 160 162 163 160 162 170 163 162 170 162 163 164 163 164 165 163 164 166 165 164 166 164 165 167 164 166 168 165 167 169 166 168 169 167 169 168 162 170 171 162 170 172 171 170 172 170 172 173 170 172 174 173 172 174 172 174 175 172 174 180 175 174 180 174 175 176 175 176 177 176 177 178 176 177 179 178 177 179 174 180 181 174 180 182 181 180 182 180 182 183 180 182 184 183 182 184 182 184 185 182 184 188 185 184 188 184 185 186 185 186 187 184 188 189 184 188 190 189 188 190 188 190 191 188 190 192 191 190 192 190 192 193 190 192 197 193 192 197 192 193 194 192 193 196 194 193 196 193 194 195 192 197 198 192 197 199 198 197 199 197 199 200 197 199 201 200 199 201 199 201 202 201 202 203 201 202 204 203 202 204 202 204 205 202 204 206 205 204 206 204 206 207 204 206 210 207 206 210 206 207 208 207 208 209 206 210 211 206 210 212 211 210 212 210 212 213 210 212 214 213 212 214 212 214 215 212 214 222 215 214 222 214 215 216 215 216 217 216 217 218 216 217 219 218 217 219 217 219 220 217 219 221 220 219 221 214 222 223 214 222 224 223 222 224 222 224 225 222 224 226 225 224 226 224 226 227 224 226 232 227 226 232 226 227 228 227 228 229 228 229 230 228 229 231 230 229 231 226 232 233 226 232 234 233 232 234 232 234 235 232 234 236 235 234 236 234 236 237 234 236 244 237 236 244 236 237 238 237 238 239 238 239 240 238 239 241 240 239 241 239 241 242 239 241 243 242 241 243 236 244 245 236 244 246 245 244 246 244 246 247 244 246 248 247 246 248 246 248 249 246 248 257 249 248 257 248 249 250 249 250 251 250 251 252 251 252 253 252 253 254 252 253 255 252 253 256 254 253 255 254 253 256 255 253 256 248 257 258 248 257 259 258 257 259 257 259 260 257 259 261 260 259 261 259 261 262 259 261 265 262 261 265 261 262 263 262 263 264 261 265 266 261 265 267 266 265 267 265 267 268 265 267 269 268 267 269 267 269 270 269 270 271 269 270 272 271 270 272 270 272 273 270 272 274 273 272 274 272 274 275 272 274 278 275 274 278 274 275 276 274 275 277 276 275 277 274 278 279 274 278 280 279 278 280 278 280 281 278 280 282 281 280 282 280 282 283 280 282 294 283 282 294 282 283 284 283 284 285 283 284 288 285 284 288 284 285 286 284 285 287 286 285 287 285 286 289 285 286 291 289 286 291 285 287 292 284 288 289 286 289 288 286 289 290 288 289 290 286 291 293 287 292 293 291 293 292 282 294 295 282 294 296 295 294 296 171 !NPHI: dihedrals 2 3 5 14 1 3 5 14 4 3 5 14 3 5 14 16 5 14 16 18 3 5 6 7 5 6 7 8 6 7 8 9 7 8 9 10 8 9 10 11 8 9 10 12 8 9 10 13 14 16 18 23 16 18 23 25 18 23 25 27 16 18 19 20 18 19 20 21 19 20 21 22 23 25 27 36 25 27 36 38 27 36 38 40 25 27 28 29 27 28 29 30 28 29 30 31 29 30 31 32 30 31 32 33 30 31 32 34 30 31 32 35 36 38 40 42 38 40 42 44 40 42 44 46 42 44 46 50 44 46 50 52 46 50 52 54 44 46 47 48 50 52 54 59 52 54 59 61 54 59 61 63 52 54 55 56 54 55 56 57 55 56 57 58 59 61 63 68 61 63 68 70 63 68 70 72 61 63 64 66 63 64 66 67 68 70 72 73 70 72 73 75 72 73 75 77 73 75 77 79 75 77 79 81 77 79 81 83 79 81 83 86 81 83 86 88 83 86 88 90 81 83 84 85 86 88 90 98 88 90 98 100 90 98 100 102 88 90 91 92 90 91 92 93 98 100 102 107 100 102 107 109 102 107 109 111 100 102 103 104 102 103 104 106 107 109 111 116 109 111 116 118 111 116 118 120 109 111 112 114 111 112 114 115 116 118 120 125 118 120 125 127 120 125 127 129 118 120 121 122 120 121 122 123 125 127 129 137 127 129 137 139 129 137 139 141 127 129 130 131 129 130 131 132 137 139 141 146 139 141 146 148 141 146 148 150 139 141 142 143 141 142 143 144 142 143 144 145 146 148 150 158 148 150 158 160 150 158 160 162 148 150 151 152 150 151 152 153 158 160 162 170 160 162 170 172 162 170 172 174 160 162 163 164 162 163 164 165 170 172 174 180 172 174 180 182 174 180 182 184 172 174 175 176 174 175 176 177 175 176 177 178 180 182 184 188 182 184 188 190 184 188 190 192 182 184 185 186 184 185 186 187 188 190 192 197 190 192 197 199 192 197 199 201 190 192 193 194 192 193 194 195 197 199 201 202 199 201 202 204 201 202 204 206 202 204 206 210 204 206 210 212 206 210 212 214 204 206 207 208 206 207 208 209 210 212 214 222 212 214 222 224 214 222 224 226 212 214 215 216 214 215 216 217 215 216 217 218 216 217 219 220 222 224 226 232 224 226 232 234 226 232 234 236 224 226 227 228 226 227 228 229 227 228 229 230 232 234 236 244 234 236 244 246 236 244 246 248 234 236 237 238 236 237 238 239 237 238 239 240 238 239 241 242 244 246 248 257 246 248 257 259 248 257 259 261 246 248 249 250 248 249 250 251 249 250 251 252 250 251 252 253 251 252 253 254 251 252 253 255 251 252 253 256 257 259 261 265 259 261 265 267 261 265 267 269 259 261 262 263 261 262 263 264 265 267 269 270 267 269 270 272 269 270 272 274 270 272 274 278 272 274 278 280 274 278 280 282 272 274 275 276 278 280 282 294 280 282 283 284 282 283 284 288 288 286 285 292 288 285 286 293 284 285 286 291 287 285 286 289 296 294 282 280 143 !NIMPHI: impropers 14 5 16 15 5 3 14 6 16 14 18 17 23 18 25 24 18 16 23 19 25 23 27 26 36 27 38 37 27 25 36 28 38 36 40 39 42 40 44 43 40 38 42 41 44 42 46 45 50 46 52 51 46 44 50 47 47 49 48 46 52 50 54 53 59 54 61 60 54 52 59 55 61 59 63 62 68 63 70 69 63 61 68 64 64 66 65 63 70 68 72 71 73 72 75 74 75 73 77 76 79 77 81 80 77 75 79 78 81 79 83 82 86 83 88 87 83 81 86 84 88 86 90 89 98 90 100 99 90 88 98 91 92 93 95 97 93 95 97 96 95 97 96 94 97 96 94 92 96 94 92 93 94 92 93 95 92 93 94 91 100 98 102 101 107 102 109 108 102 100 107 103 104 106 105 103 109 107 111 110 116 111 118 117 111 109 116 112 112 114 113 111 118 116 120 119 125 120 127 126 120 118 125 121 122 123 124 121 127 125 129 128 137 129 139 138 129 127 137 130 131 132 134 136 132 134 136 135 134 136 135 133 136 135 133 131 135 133 131 132 133 131 132 134 131 132 133 130 139 137 141 140 146 141 148 147 141 139 146 142 148 146 150 149 158 150 160 159 150 148 158 151 152 153 155 157 153 155 157 156 155 157 156 154 157 156 154 152 156 154 152 153 154 152 153 155 152 153 154 151 160 158 162 161 170 162 172 171 162 160 170 163 164 165 167 169 165 167 169 168 167 169 168 166 169 168 166 164 168 166 164 165 166 164 165 167 164 165 166 163 172 170 174 173 180 174 182 181 174 172 180 175 177 178 179 176 182 180 184 183 188 184 190 189 184 182 188 185 190 188 192 191 197 192 199 198 192 190 197 193 193 194 196 192 199 197 201 200 202 201 204 203 204 202 206 205 210 206 212 211 206 204 210 207 212 210 214 213 222 214 224 223 214 212 222 215 217 218 219 216 219 220 221 217 224 222 226 225 232 226 234 233 226 224 232 227 229 230 231 228 234 232 236 235 244 236 246 245 236 234 244 237 239 240 241 238 241 242 243 239 246 244 248 247 257 248 259 258 248 246 257 249 259 257 261 260 265 261 267 266 261 259 265 262 267 265 269 268 270 269 272 271 272 270 274 273 278 274 280 279 274 272 278 275 275 277 276 274 280 278 282 281 282 280 294 283 284 288 285 283 289 288 286 290 285 286 291 293 286 291 293 292 291 293 292 287 293 292 287 285 292 287 285 286 287 285 286 291 284 288 289 286 288 289 286 285 289 286 285 284 286 285 284 288 285 284 288 289 294 282 296 295 51 !NDON: donors 3 1 3 2 3 4 10 11 10 12 10 13 16 17 25 26 32 33 32 34 32 35 38 39 44 45 52 53 61 62 70 71 75 76 81 82 88 89 100 101 109 110 118 119 127 128 139 140 148 149 160 161 172 173 182 183 186 187 190 191 194 195 199 200 204 205 208 209 212 213 219 220 219 221 224 225 234 235 241 242 241 243 246 247 253 254 253 255 253 256 259 260 263 264 267 268 272 273 280 281 289 290 44 !NACC: acceptors 15 14 24 23 37 36 43 42 51 50 60 59 69 68 74 73 80 79 87 86 99 98 108 107 117 116 123 122 124 122 126 125 138 137 147 146 159 158 171 170 178 177 179 177 181 180 186 0 189 188 194 0 198 197 203 202 208 0 211 210 218 217 223 222 230 229 231 229 233 232 240 239 245 244 258 257 263 0 266 265 271 270 279 278 295 294 296 294 48 !NNB 97 96 95 136 135 134 157 156 155 169 168 167 288 285 289 286 287 291 292 293 289 286 287 291