PSF 25 !NTITLE REMARKS original generated structure x-plor psf file REMARKS 12 patches were applied to the molecule. REMARKS topology top_all27_prot_lipid.inp REMARKS segment C1 { first NTER; last CTER; auto angles dihedrals } REMARKS segment W1 { first NONE; last NONE; auto angles dihedrals } REMARKS segment C2 { first NTER; last CTER; auto angles dihedrals } REMARKS segment W2 { first NONE; last NONE; auto angles dihedrals } REMARKS segment C3 { first NTER; last CTER; auto angles dihedrals } REMARKS segment W3 { first NONE; last NONE; auto angles dihedrals } REMARKS segment C4 { first NTER; last CTER; auto angles dihedrals } REMARKS segment W4 { first NONE; last NONE; auto angles dihedrals } REMARKS segment X1 { first NONE; last NONE; auto angles dihedrals } REMARKS segment X2 { first NONE; last NONE; auto angles dihedrals } REMARKS patch NTER C1:22 REMARKS patch CTER C1:124 REMARKS patch GLUP C1:71 REMARKS patch NTER C2:22 REMARKS patch CTER C2:124 REMARKS patch GLUP C2:71 REMARKS patch NTER C3:22 REMARKS patch CTER C3:124 REMARKS patch GLUP C3:71 REMARKS patch NTER C4:22 REMARKS patch CTER C4:124 REMARKS patch GLUP C4:71 6345 !NATOM 1 C1 22 SER N NH3 -0.300000 14.0070 0 2 C1 22 SER HT1 HC 0.330000 1.0080 0 3 C1 22 SER HT2 HC 0.330000 1.0080 0 4 C1 22 SER HT3 HC 0.330000 1.0080 0 5 C1 22 SER CA CT1 0.210000 12.0110 0 6 C1 22 SER HA HB 0.100000 1.0080 0 7 C1 22 SER CB CT2 0.050000 12.0110 0 8 C1 22 SER HB1 HA 0.090000 1.0080 0 9 C1 22 SER HB2 HA 0.090000 1.0080 0 10 C1 22 SER OG OH1 -0.660000 15.9990 0 11 C1 22 SER HG1 H 0.430000 1.0080 0 12 C1 22 SER C C 0.510000 12.0110 0 13 C1 22 SER O O -0.510000 15.9990 0 14 C1 23 ALA N NH1 -0.470000 14.0070 0 15 C1 23 ALA HN H 0.310000 1.0080 0 16 C1 23 ALA CA CT1 0.070000 12.0110 0 17 C1 23 ALA HA HB 0.090000 1.0080 0 18 C1 23 ALA CB CT3 -0.270000 12.0110 0 19 C1 23 ALA HB1 HA 0.090000 1.0080 0 20 C1 23 ALA HB2 HA 0.090000 1.0080 0 21 C1 23 ALA HB3 HA 0.090000 1.0080 0 22 C1 23 ALA C C 0.510000 12.0110 0 23 C1 23 ALA O O -0.510000 15.9990 0 24 C1 24 LEU N NH1 -0.470000 14.0070 0 25 C1 24 LEU HN H 0.310000 1.0080 0 26 C1 24 LEU CA CT1 0.070000 12.0110 0 27 C1 24 LEU HA HB 0.090000 1.0080 0 28 C1 24 LEU CB CT2 -0.180000 12.0110 0 29 C1 24 LEU HB1 HA 0.090000 1.0080 0 30 C1 24 LEU HB2 HA 0.090000 1.0080 0 31 C1 24 LEU CG CT1 -0.090000 12.0110 0 32 C1 24 LEU HG HA 0.090000 1.0080 0 33 C1 24 LEU CD1 CT3 -0.270000 12.0110 0 34 C1 24 LEU HD11 HA 0.090000 1.0080 0 35 C1 24 LEU HD12 HA 0.090000 1.0080 0 36 C1 24 LEU HD13 HA 0.090000 1.0080 0 37 C1 24 LEU CD2 CT3 -0.270000 12.0110 0 38 C1 24 LEU HD21 HA 0.090000 1.0080 0 39 C1 24 LEU HD22 HA 0.090000 1.0080 0 40 C1 24 LEU HD23 HA 0.090000 1.0080 0 41 C1 24 LEU C C 0.510000 12.0110 0 42 C1 24 LEU O O -0.510000 15.9990 0 43 C1 25 HSE N NH1 -0.470000 14.0070 0 44 C1 25 HSE HN H 0.310000 1.0080 0 45 C1 25 HSE CA CT1 0.070000 12.0110 0 46 C1 25 HSE HA HB 0.090000 1.0080 0 47 C1 25 HSE CB CT2 -0.080000 12.0110 0 48 C1 25 HSE HB1 HA 0.090000 1.0080 0 49 C1 25 HSE HB2 HA 0.090000 1.0080 0 50 C1 25 HSE ND1 NR2 -0.700000 14.0070 0 51 C1 25 HSE CG CPH1 0.220000 12.0110 0 52 C1 25 HSE CE1 CPH2 0.250000 12.0110 0 53 C1 25 HSE HE1 HR1 0.130000 1.0080 0 54 C1 25 HSE NE2 NR1 -0.360000 14.0070 0 55 C1 25 HSE HE2 H 0.320000 1.0080 0 56 C1 25 HSE CD2 CPH1 -0.050000 12.0110 0 57 C1 25 HSE HD2 HR3 0.090000 1.0080 0 58 C1 25 HSE C C 0.510000 12.0110 0 59 C1 25 HSE O O -0.510000 15.9990 0 60 C1 26 TRP N NH1 -0.470000 14.0070 0 61 C1 26 TRP HN H 0.310000 1.0080 0 62 C1 26 TRP CA CT1 0.070000 12.0110 0 63 C1 26 TRP HA HB 0.090000 1.0080 0 64 C1 26 TRP CB CT2 -0.180000 12.0110 0 65 C1 26 TRP HB1 HA 0.090000 1.0080 0 66 C1 26 TRP HB2 HA 0.090000 1.0080 0 67 C1 26 TRP CG CY -0.030000 12.0110 0 68 C1 26 TRP CD1 CA 0.035000 12.0110 0 69 C1 26 TRP HD1 HP 0.115000 1.0080 0 70 C1 26 TRP NE1 NY -0.610000 14.0070 0 71 C1 26 TRP HE1 H 0.380000 1.0080 0 72 C1 26 TRP CE2 CPT 0.130000 12.0110 0 73 C1 26 TRP CD2 CPT -0.020000 12.0110 0 74 C1 26 TRP CE3 CA -0.115000 12.0110 0 75 C1 26 TRP HE3 HP 0.115000 1.0080 0 76 C1 26 TRP CZ3 CA -0.115000 12.0110 0 77 C1 26 TRP HZ3 HP 0.115000 1.0080 0 78 C1 26 TRP CZ2 CA -0.115000 12.0110 0 79 C1 26 TRP HZ2 HP 0.115000 1.0080 0 80 C1 26 TRP CH2 CA -0.115000 12.0110 0 81 C1 26 TRP HH2 HP 0.115000 1.0080 0 82 C1 26 TRP C C 0.510000 12.0110 0 83 C1 26 TRP O O -0.510000 15.9990 0 84 C1 27 ARG N NH1 -0.470000 14.0070 0 85 C1 27 ARG HN H 0.310000 1.0080 0 86 C1 27 ARG CA CT1 0.070000 12.0110 0 87 C1 27 ARG HA HB 0.090000 1.0080 0 88 C1 27 ARG CB CT2 -0.180000 12.0110 0 89 C1 27 ARG HB1 HA 0.090000 1.0080 0 90 C1 27 ARG HB2 HA 0.090000 1.0080 0 91 C1 27 ARG CG CT2 -0.180000 12.0110 0 92 C1 27 ARG HG1 HA 0.090000 1.0080 0 93 C1 27 ARG HG2 HA 0.090000 1.0080 0 94 C1 27 ARG CD CT2 0.200000 12.0110 0 95 C1 27 ARG HD1 HA 0.090000 1.0080 0 96 C1 27 ARG HD2 HA 0.090000 1.0080 0 97 C1 27 ARG NE NC2 -0.700000 14.0070 0 98 C1 27 ARG HE HC 0.440000 1.0080 0 99 C1 27 ARG CZ C 0.640000 12.0110 0 100 C1 27 ARG NH1 NC2 -0.800000 14.0070 0 101 C1 27 ARG HH11 HC 0.460000 1.0080 0 102 C1 27 ARG HH12 HC 0.460000 1.0080 0 103 C1 27 ARG NH2 NC2 -0.800000 14.0070 0 104 C1 27 ARG HH21 HC 0.460000 1.0080 0 105 C1 27 ARG HH22 HC 0.460000 1.0080 0 106 C1 27 ARG C C 0.510000 12.0110 0 107 C1 27 ARG O O -0.510000 15.9990 0 108 C1 28 ALA N NH1 -0.470000 14.0070 0 109 C1 28 ALA HN H 0.310000 1.0080 0 110 C1 28 ALA CA CT1 0.070000 12.0110 0 111 C1 28 ALA HA HB 0.090000 1.0080 0 112 C1 28 ALA CB CT3 -0.270000 12.0110 0 113 C1 28 ALA HB1 HA 0.090000 1.0080 0 114 C1 28 ALA HB2 HA 0.090000 1.0080 0 115 C1 28 ALA HB3 HA 0.090000 1.0080 0 116 C1 28 ALA C C 0.510000 12.0110 0 117 C1 28 ALA O O -0.510000 15.9990 0 118 C1 29 ALA N NH1 -0.470000 14.0070 0 119 C1 29 ALA HN H 0.310000 1.0080 0 120 C1 29 ALA CA CT1 0.070000 12.0110 0 121 C1 29 ALA HA HB 0.090000 1.0080 0 122 C1 29 ALA CB CT3 -0.270000 12.0110 0 123 C1 29 ALA HB1 HA 0.090000 1.0080 0 124 C1 29 ALA HB2 HA 0.090000 1.0080 0 125 C1 29 ALA HB3 HA 0.090000 1.0080 0 126 C1 29 ALA C C 0.510000 12.0110 0 127 C1 29 ALA O O -0.510000 15.9990 0 128 C1 30 GLY N NH1 -0.470000 14.0070 0 129 C1 30 GLY HN H 0.310000 1.0080 0 130 C1 30 GLY CA CT2 -0.020000 12.0110 0 131 C1 30 GLY HA1 HB 0.090000 1.0080 0 132 C1 30 GLY HA2 HB 0.090000 1.0080 0 133 C1 30 GLY C C 0.510000 12.0110 0 134 C1 30 GLY O O -0.510000 15.9990 0 135 C1 31 ALA N NH1 -0.470000 14.0070 0 136 C1 31 ALA HN H 0.310000 1.0080 0 137 C1 31 ALA CA CT1 0.070000 12.0110 0 138 C1 31 ALA HA HB 0.090000 1.0080 0 139 C1 31 ALA CB CT3 -0.270000 12.0110 0 140 C1 31 ALA HB1 HA 0.090000 1.0080 0 141 C1 31 ALA HB2 HA 0.090000 1.0080 0 142 C1 31 ALA HB3 HA 0.090000 1.0080 0 143 C1 31 ALA C C 0.510000 12.0110 0 144 C1 31 ALA O O -0.510000 15.9990 0 145 C1 32 ALA N NH1 -0.470000 14.0070 0 146 C1 32 ALA HN H 0.310000 1.0080 0 147 C1 32 ALA CA CT1 0.070000 12.0110 0 148 C1 32 ALA HA HB 0.090000 1.0080 0 149 C1 32 ALA CB CT3 -0.270000 12.0110 0 150 C1 32 ALA HB1 HA 0.090000 1.0080 0 151 C1 32 ALA HB2 HA 0.090000 1.0080 0 152 C1 32 ALA HB3 HA 0.090000 1.0080 0 153 C1 32 ALA C C 0.510000 12.0110 0 154 C1 32 ALA O O -0.510000 15.9990 0 155 C1 33 THR N NH1 -0.470000 14.0070 0 156 C1 33 THR HN H 0.310000 1.0080 0 157 C1 33 THR CA CT1 0.070000 12.0110 0 158 C1 33 THR HA HB 0.090000 1.0080 0 159 C1 33 THR CB CT1 0.140000 12.0110 0 160 C1 33 THR HB HA 0.090000 1.0080 0 161 C1 33 THR OG1 OH1 -0.660000 15.9990 0 162 C1 33 THR HG1 H 0.430000 1.0080 0 163 C1 33 THR CG2 CT3 -0.270000 12.0110 0 164 C1 33 THR HG21 HA 0.090000 1.0080 0 165 C1 33 THR HG22 HA 0.090000 1.0080 0 166 C1 33 THR HG23 HA 0.090000 1.0080 0 167 C1 33 THR C C 0.510000 12.0110 0 168 C1 33 THR O O -0.510000 15.9990 0 169 C1 34 VAL N NH1 -0.470000 14.0070 0 170 C1 34 VAL HN H 0.310000 1.0080 0 171 C1 34 VAL CA CT1 0.070000 12.0110 0 172 C1 34 VAL HA HB 0.090000 1.0080 0 173 C1 34 VAL CB CT1 -0.090000 12.0110 0 174 C1 34 VAL HB HA 0.090000 1.0080 0 175 C1 34 VAL CG1 CT3 -0.270000 12.0110 0 176 C1 34 VAL HG11 HA 0.090000 1.0080 0 177 C1 34 VAL HG12 HA 0.090000 1.0080 0 178 C1 34 VAL HG13 HA 0.090000 1.0080 0 179 C1 34 VAL CG2 CT3 -0.270000 12.0110 0 180 C1 34 VAL HG21 HA 0.090000 1.0080 0 181 C1 34 VAL HG22 HA 0.090000 1.0080 0 182 C1 34 VAL HG23 HA 0.090000 1.0080 0 183 C1 34 VAL C C 0.510000 12.0110 0 184 C1 34 VAL O O -0.510000 15.9990 0 185 C1 35 LEU N NH1 -0.470000 14.0070 0 186 C1 35 LEU HN H 0.310000 1.0080 0 187 C1 35 LEU CA CT1 0.070000 12.0110 0 188 C1 35 LEU HA HB 0.090000 1.0080 0 189 C1 35 LEU CB CT2 -0.180000 12.0110 0 190 C1 35 LEU HB1 HA 0.090000 1.0080 0 191 C1 35 LEU HB2 HA 0.090000 1.0080 0 192 C1 35 LEU CG CT1 -0.090000 12.0110 0 193 C1 35 LEU HG HA 0.090000 1.0080 0 194 C1 35 LEU CD1 CT3 -0.270000 12.0110 0 195 C1 35 LEU HD11 HA 0.090000 1.0080 0 196 C1 35 LEU HD12 HA 0.090000 1.0080 0 197 C1 35 LEU HD13 HA 0.090000 1.0080 0 198 C1 35 LEU CD2 CT3 -0.270000 12.0110 0 199 C1 35 LEU HD21 HA 0.090000 1.0080 0 200 C1 35 LEU HD22 HA 0.090000 1.0080 0 201 C1 35 LEU HD23 HA 0.090000 1.0080 0 202 C1 35 LEU C C 0.510000 12.0110 0 203 C1 35 LEU O O -0.510000 15.9990 0 204 C1 36 LEU N NH1 -0.470000 14.0070 0 205 C1 36 LEU HN H 0.310000 1.0080 0 206 C1 36 LEU CA CT1 0.070000 12.0110 0 207 C1 36 LEU HA HB 0.090000 1.0080 0 208 C1 36 LEU CB CT2 -0.180000 12.0110 0 209 C1 36 LEU HB1 HA 0.090000 1.0080 0 210 C1 36 LEU HB2 HA 0.090000 1.0080 0 211 C1 36 LEU CG CT1 -0.090000 12.0110 0 212 C1 36 LEU HG HA 0.090000 1.0080 0 213 C1 36 LEU CD1 CT3 -0.270000 12.0110 0 214 C1 36 LEU HD11 HA 0.090000 1.0080 0 215 C1 36 LEU HD12 HA 0.090000 1.0080 0 216 C1 36 LEU HD13 HA 0.090000 1.0080 0 217 C1 36 LEU CD2 CT3 -0.270000 12.0110 0 218 C1 36 LEU HD21 HA 0.090000 1.0080 0 219 C1 36 LEU HD22 HA 0.090000 1.0080 0 220 C1 36 LEU HD23 HA 0.090000 1.0080 0 221 C1 36 LEU C C 0.510000 12.0110 0 222 C1 36 LEU O O -0.510000 15.9990 0 223 C1 37 VAL N NH1 -0.470000 14.0070 0 224 C1 37 VAL HN H 0.310000 1.0080 0 225 C1 37 VAL CA CT1 0.070000 12.0110 0 226 C1 37 VAL HA HB 0.090000 1.0080 0 227 C1 37 VAL CB CT1 -0.090000 12.0110 0 228 C1 37 VAL HB HA 0.090000 1.0080 0 229 C1 37 VAL CG1 CT3 -0.270000 12.0110 0 230 C1 37 VAL HG11 HA 0.090000 1.0080 0 231 C1 37 VAL HG12 HA 0.090000 1.0080 0 232 C1 37 VAL HG13 HA 0.090000 1.0080 0 233 C1 37 VAL CG2 CT3 -0.270000 12.0110 0 234 C1 37 VAL HG21 HA 0.090000 1.0080 0 235 C1 37 VAL HG22 HA 0.090000 1.0080 0 236 C1 37 VAL HG23 HA 0.090000 1.0080 0 237 C1 37 VAL C C 0.510000 12.0110 0 238 C1 37 VAL O O -0.510000 15.9990 0 239 C1 38 ILE N NH1 -0.470000 14.0070 0 240 C1 38 ILE HN H 0.310000 1.0080 0 241 C1 38 ILE CA CT1 0.070000 12.0110 0 242 C1 38 ILE HA HB 0.090000 1.0080 0 243 C1 38 ILE CB CT1 -0.090000 12.0110 0 244 C1 38 ILE HB HA 0.090000 1.0080 0 245 C1 38 ILE CG2 CT3 -0.270000 12.0110 0 246 C1 38 ILE HG21 HA 0.090000 1.0080 0 247 C1 38 ILE HG22 HA 0.090000 1.0080 0 248 C1 38 ILE HG23 HA 0.090000 1.0080 0 249 C1 38 ILE CG1 CT2 -0.180000 12.0110 0 250 C1 38 ILE HG11 HA 0.090000 1.0080 0 251 C1 38 ILE HG12 HA 0.090000 1.0080 0 252 C1 38 ILE CD CT3 -0.270000 12.0110 0 253 C1 38 ILE HD1 HA 0.090000 1.0080 0 254 C1 38 ILE HD2 HA 0.090000 1.0080 0 255 C1 38 ILE HD3 HA 0.090000 1.0080 0 256 C1 38 ILE C C 0.510000 12.0110 0 257 C1 38 ILE O O -0.510000 15.9990 0 258 C1 39 VAL N NH1 -0.470000 14.0070 0 259 C1 39 VAL HN H 0.310000 1.0080 0 260 C1 39 VAL CA CT1 0.070000 12.0110 0 261 C1 39 VAL HA HB 0.090000 1.0080 0 262 C1 39 VAL CB CT1 -0.090000 12.0110 0 263 C1 39 VAL HB HA 0.090000 1.0080 0 264 C1 39 VAL CG1 CT3 -0.270000 12.0110 0 265 C1 39 VAL HG11 HA 0.090000 1.0080 0 266 C1 39 VAL HG12 HA 0.090000 1.0080 0 267 C1 39 VAL HG13 HA 0.090000 1.0080 0 268 C1 39 VAL CG2 CT3 -0.270000 12.0110 0 269 C1 39 VAL HG21 HA 0.090000 1.0080 0 270 C1 39 VAL HG22 HA 0.090000 1.0080 0 271 C1 39 VAL HG23 HA 0.090000 1.0080 0 272 C1 39 VAL C C 0.510000 12.0110 0 273 C1 39 VAL O O -0.510000 15.9990 0 274 C1 40 LEU N NH1 -0.470000 14.0070 0 275 C1 40 LEU HN H 0.310000 1.0080 0 276 C1 40 LEU CA CT1 0.070000 12.0110 0 277 C1 40 LEU HA HB 0.090000 1.0080 0 278 C1 40 LEU CB CT2 -0.180000 12.0110 0 279 C1 40 LEU HB1 HA 0.090000 1.0080 0 280 C1 40 LEU HB2 HA 0.090000 1.0080 0 281 C1 40 LEU CG CT1 -0.090000 12.0110 0 282 C1 40 LEU HG HA 0.090000 1.0080 0 283 C1 40 LEU CD1 CT3 -0.270000 12.0110 0 284 C1 40 LEU HD11 HA 0.090000 1.0080 0 285 C1 40 LEU HD12 HA 0.090000 1.0080 0 286 C1 40 LEU HD13 HA 0.090000 1.0080 0 287 C1 40 LEU CD2 CT3 -0.270000 12.0110 0 288 C1 40 LEU HD21 HA 0.090000 1.0080 0 289 C1 40 LEU HD22 HA 0.090000 1.0080 0 290 C1 40 LEU HD23 HA 0.090000 1.0080 0 291 C1 40 LEU C C 0.510000 12.0110 0 292 C1 40 LEU O O -0.510000 15.9990 0 293 C1 41 LEU N NH1 -0.470000 14.0070 0 294 C1 41 LEU HN H 0.310000 1.0080 0 295 C1 41 LEU CA CT1 0.070000 12.0110 0 296 C1 41 LEU HA HB 0.090000 1.0080 0 297 C1 41 LEU CB CT2 -0.180000 12.0110 0 298 C1 41 LEU HB1 HA 0.090000 1.0080 0 299 C1 41 LEU HB2 HA 0.090000 1.0080 0 300 C1 41 LEU CG CT1 -0.090000 12.0110 0 301 C1 41 LEU HG HA 0.090000 1.0080 0 302 C1 41 LEU CD1 CT3 -0.270000 12.0110 0 303 C1 41 LEU HD11 HA 0.090000 1.0080 0 304 C1 41 LEU HD12 HA 0.090000 1.0080 0 305 C1 41 LEU HD13 HA 0.090000 1.0080 0 306 C1 41 LEU CD2 CT3 -0.270000 12.0110 0 307 C1 41 LEU HD21 HA 0.090000 1.0080 0 308 C1 41 LEU HD22 HA 0.090000 1.0080 0 309 C1 41 LEU HD23 HA 0.090000 1.0080 0 310 C1 41 LEU C C 0.510000 12.0110 0 311 C1 41 LEU O O -0.510000 15.9990 0 312 C1 42 ALA N NH1 -0.470000 14.0070 0 313 C1 42 ALA HN H 0.310000 1.0080 0 314 C1 42 ALA CA CT1 0.070000 12.0110 0 315 C1 42 ALA HA HB 0.090000 1.0080 0 316 C1 42 ALA CB CT3 -0.270000 12.0110 0 317 C1 42 ALA HB1 HA 0.090000 1.0080 0 318 C1 42 ALA HB2 HA 0.090000 1.0080 0 319 C1 42 ALA HB3 HA 0.090000 1.0080 0 320 C1 42 ALA C C 0.510000 12.0110 0 321 C1 42 ALA O O -0.510000 15.9990 0 322 C1 43 GLY N NH1 -0.470000 14.0070 0 323 C1 43 GLY HN H 0.310000 1.0080 0 324 C1 43 GLY CA CT2 -0.020000 12.0110 0 325 C1 43 GLY HA1 HB 0.090000 1.0080 0 326 C1 43 GLY HA2 HB 0.090000 1.0080 0 327 C1 43 GLY C C 0.510000 12.0110 0 328 C1 43 GLY O O -0.510000 15.9990 0 329 C1 44 SER N NH1 -0.470000 14.0070 0 330 C1 44 SER HN H 0.310000 1.0080 0 331 C1 44 SER CA CT1 0.070000 12.0110 0 332 C1 44 SER HA HB 0.090000 1.0080 0 333 C1 44 SER CB CT2 0.050000 12.0110 0 334 C1 44 SER HB1 HA 0.090000 1.0080 0 335 C1 44 SER HB2 HA 0.090000 1.0080 0 336 C1 44 SER OG OH1 -0.660000 15.9990 0 337 C1 44 SER HG1 H 0.430000 1.0080 0 338 C1 44 SER C C 0.510000 12.0110 0 339 C1 44 SER O O -0.510000 15.9990 0 340 C1 45 TYR N NH1 -0.470000 14.0070 0 341 C1 45 TYR HN H 0.310000 1.0080 0 342 C1 45 TYR CA CT1 0.070000 12.0110 0 343 C1 45 TYR HA HB 0.090000 1.0080 0 344 C1 45 TYR CB CT2 -0.180000 12.0110 0 345 C1 45 TYR HB1 HA 0.090000 1.0080 0 346 C1 45 TYR HB2 HA 0.090000 1.0080 0 347 C1 45 TYR CG CA 0.000000 12.0110 0 348 C1 45 TYR CD1 CA -0.115000 12.0110 0 349 C1 45 TYR HD1 HP 0.115000 1.0080 0 350 C1 45 TYR CE1 CA -0.115000 12.0110 0 351 C1 45 TYR HE1 HP 0.115000 1.0080 0 352 C1 45 TYR CZ CA 0.110000 12.0110 0 353 C1 45 TYR OH OH1 -0.540000 15.9990 0 354 C1 45 TYR HH H 0.430000 1.0080 0 355 C1 45 TYR CD2 CA -0.115000 12.0110 0 356 C1 45 TYR HD2 HP 0.115000 1.0080 0 357 C1 45 TYR CE2 CA -0.115000 12.0110 0 358 C1 45 TYR HE2 HP 0.115000 1.0080 0 359 C1 45 TYR C C 0.510000 12.0110 0 360 C1 45 TYR O O -0.510000 15.9990 0 361 C1 46 LEU N NH1 -0.470000 14.0070 0 362 C1 46 LEU HN H 0.310000 1.0080 0 363 C1 46 LEU CA CT1 0.070000 12.0110 0 364 C1 46 LEU HA HB 0.090000 1.0080 0 365 C1 46 LEU CB CT2 -0.180000 12.0110 0 366 C1 46 LEU HB1 HA 0.090000 1.0080 0 367 C1 46 LEU HB2 HA 0.090000 1.0080 0 368 C1 46 LEU CG CT1 -0.090000 12.0110 0 369 C1 46 LEU HG HA 0.090000 1.0080 0 370 C1 46 LEU CD1 CT3 -0.270000 12.0110 0 371 C1 46 LEU HD11 HA 0.090000 1.0080 0 372 C1 46 LEU HD12 HA 0.090000 1.0080 0 373 C1 46 LEU HD13 HA 0.090000 1.0080 0 374 C1 46 LEU CD2 CT3 -0.270000 12.0110 0 375 C1 46 LEU HD21 HA 0.090000 1.0080 0 376 C1 46 LEU HD22 HA 0.090000 1.0080 0 377 C1 46 LEU HD23 HA 0.090000 1.0080 0 378 C1 46 LEU C C 0.510000 12.0110 0 379 C1 46 LEU O O -0.510000 15.9990 0 380 C1 47 ALA N NH1 -0.470000 14.0070 0 381 C1 47 ALA HN H 0.310000 1.0080 0 382 C1 47 ALA CA CT1 0.070000 12.0110 0 383 C1 47 ALA HA HB 0.090000 1.0080 0 384 C1 47 ALA CB CT3 -0.270000 12.0110 0 385 C1 47 ALA HB1 HA 0.090000 1.0080 0 386 C1 47 ALA HB2 HA 0.090000 1.0080 0 387 C1 47 ALA HB3 HA 0.090000 1.0080 0 388 C1 47 ALA C C 0.510000 12.0110 0 389 C1 47 ALA O O -0.510000 15.9990 0 390 C1 48 VAL N NH1 -0.470000 14.0070 0 391 C1 48 VAL HN H 0.310000 1.0080 0 392 C1 48 VAL CA CT1 0.070000 12.0110 0 393 C1 48 VAL HA HB 0.090000 1.0080 0 394 C1 48 VAL CB CT1 -0.090000 12.0110 0 395 C1 48 VAL HB HA 0.090000 1.0080 0 396 C1 48 VAL CG1 CT3 -0.270000 12.0110 0 397 C1 48 VAL HG11 HA 0.090000 1.0080 0 398 C1 48 VAL HG12 HA 0.090000 1.0080 0 399 C1 48 VAL HG13 HA 0.090000 1.0080 0 400 C1 48 VAL CG2 CT3 -0.270000 12.0110 0 401 C1 48 VAL HG21 HA 0.090000 1.0080 0 402 C1 48 VAL HG22 HA 0.090000 1.0080 0 403 C1 48 VAL HG23 HA 0.090000 1.0080 0 404 C1 48 VAL C C 0.510000 12.0110 0 405 C1 48 VAL O O -0.510000 15.9990 0 406 C1 49 LEU N NH1 -0.470000 14.0070 0 407 C1 49 LEU HN H 0.310000 1.0080 0 408 C1 49 LEU CA CT1 0.070000 12.0110 0 409 C1 49 LEU HA HB 0.090000 1.0080 0 410 C1 49 LEU CB CT2 -0.180000 12.0110 0 411 C1 49 LEU HB1 HA 0.090000 1.0080 0 412 C1 49 LEU HB2 HA 0.090000 1.0080 0 413 C1 49 LEU CG CT1 -0.090000 12.0110 0 414 C1 49 LEU HG HA 0.090000 1.0080 0 415 C1 49 LEU CD1 CT3 -0.270000 12.0110 0 416 C1 49 LEU HD11 HA 0.090000 1.0080 0 417 C1 49 LEU HD12 HA 0.090000 1.0080 0 418 C1 49 LEU HD13 HA 0.090000 1.0080 0 419 C1 49 LEU CD2 CT3 -0.270000 12.0110 0 420 C1 49 LEU HD21 HA 0.090000 1.0080 0 421 C1 49 LEU HD22 HA 0.090000 1.0080 0 422 C1 49 LEU HD23 HA 0.090000 1.0080 0 423 C1 49 LEU C C 0.510000 12.0110 0 424 C1 49 LEU O O -0.510000 15.9990 0 425 C1 50 ALA N NH1 -0.470000 14.0070 0 426 C1 50 ALA HN H 0.310000 1.0080 0 427 C1 50 ALA CA CT1 0.070000 12.0110 0 428 C1 50 ALA HA HB 0.090000 1.0080 0 429 C1 50 ALA CB CT3 -0.270000 12.0110 0 430 C1 50 ALA HB1 HA 0.090000 1.0080 0 431 C1 50 ALA HB2 HA 0.090000 1.0080 0 432 C1 50 ALA HB3 HA 0.090000 1.0080 0 433 C1 50 ALA C C 0.510000 12.0110 0 434 C1 50 ALA O O -0.510000 15.9990 0 435 C1 51 GLU N NH1 -0.470000 14.0070 0 436 C1 51 GLU HN H 0.310000 1.0080 0 437 C1 51 GLU CA CT1 0.070000 12.0110 0 438 C1 51 GLU HA HB 0.090000 1.0080 0 439 C1 51 GLU CB CT2 -0.180000 12.0110 0 440 C1 51 GLU HB1 HA 0.090000 1.0080 0 441 C1 51 GLU HB2 HA 0.090000 1.0080 0 442 C1 51 GLU CG CT2 -0.280000 12.0110 0 443 C1 51 GLU HG1 HA 0.090000 1.0080 0 444 C1 51 GLU HG2 HA 0.090000 1.0080 0 445 C1 51 GLU CD CC 0.620000 12.0110 0 446 C1 51 GLU OE1 OC -0.760000 15.9990 0 447 C1 51 GLU OE2 OC -0.760000 15.9990 0 448 C1 51 GLU C C 0.510000 12.0110 0 449 C1 51 GLU O O -0.510000 15.9990 0 450 C1 52 ARG N NH1 -0.470000 14.0070 0 451 C1 52 ARG HN H 0.310000 1.0080 0 452 C1 52 ARG CA CT1 0.070000 12.0110 0 453 C1 52 ARG HA HB 0.090000 1.0080 0 454 C1 52 ARG CB CT2 -0.180000 12.0110 0 455 C1 52 ARG HB1 HA 0.090000 1.0080 0 456 C1 52 ARG HB2 HA 0.090000 1.0080 0 457 C1 52 ARG CG CT2 -0.180000 12.0110 0 458 C1 52 ARG HG1 HA 0.090000 1.0080 0 459 C1 52 ARG HG2 HA 0.090000 1.0080 0 460 C1 52 ARG CD CT2 0.200000 12.0110 0 461 C1 52 ARG HD1 HA 0.090000 1.0080 0 462 C1 52 ARG HD2 HA 0.090000 1.0080 0 463 C1 52 ARG NE NC2 -0.700000 14.0070 0 464 C1 52 ARG HE HC 0.440000 1.0080 0 465 C1 52 ARG CZ C 0.640000 12.0110 0 466 C1 52 ARG NH1 NC2 -0.800000 14.0070 0 467 C1 52 ARG HH11 HC 0.460000 1.0080 0 468 C1 52 ARG HH12 HC 0.460000 1.0080 0 469 C1 52 ARG NH2 NC2 -0.800000 14.0070 0 470 C1 52 ARG HH21 HC 0.460000 1.0080 0 471 C1 52 ARG HH22 HC 0.460000 1.0080 0 472 C1 52 ARG C C 0.510000 12.0110 0 473 C1 52 ARG O O -0.510000 15.9990 0 474 C1 53 GLY N NH1 -0.470000 14.0070 0 475 C1 53 GLY HN H 0.310000 1.0080 0 476 C1 53 GLY CA CT2 -0.020000 12.0110 0 477 C1 53 GLY HA1 HB 0.090000 1.0080 0 478 C1 53 GLY HA2 HB 0.090000 1.0080 0 479 C1 53 GLY C C 0.510000 12.0110 0 480 C1 53 GLY O O -0.510000 15.9990 0 481 C1 54 ALA N NH1 -0.470000 14.0070 0 482 C1 54 ALA HN H 0.310000 1.0080 0 483 C1 54 ALA CA CT1 0.070000 12.0110 0 484 C1 54 ALA HA HB 0.090000 1.0080 0 485 C1 54 ALA CB CT3 -0.270000 12.0110 0 486 C1 54 ALA HB1 HA 0.090000 1.0080 0 487 C1 54 ALA HB2 HA 0.090000 1.0080 0 488 C1 54 ALA HB3 HA 0.090000 1.0080 0 489 C1 54 ALA C C 0.510000 12.0110 0 490 C1 54 ALA O O -0.510000 15.9990 0 491 C1 55 PRO N N -0.290000 14.0070 0 492 C1 55 PRO CD CP3 0.000000 12.0110 0 493 C1 55 PRO HD1 HA 0.090000 1.0080 0 494 C1 55 PRO HD2 HA 0.090000 1.0080 0 495 C1 55 PRO CA CP1 0.020000 12.0110 0 496 C1 55 PRO HA HB 0.090000 1.0080 0 497 C1 55 PRO CB CP2 -0.180000 12.0110 0 498 C1 55 PRO HB1 HA 0.090000 1.0080 0 499 C1 55 PRO HB2 HA 0.090000 1.0080 0 500 C1 55 PRO CG CP2 -0.180000 12.0110 0 501 C1 55 PRO HG1 HA 0.090000 1.0080 0 502 C1 55 PRO HG2 HA 0.090000 1.0080 0 503 C1 55 PRO C C 0.510000 12.0110 0 504 C1 55 PRO O O -0.510000 15.9990 0 505 C1 56 GLY N NH1 -0.470000 14.0070 0 506 C1 56 GLY HN H 0.310000 1.0080 0 507 C1 56 GLY CA CT2 -0.020000 12.0110 0 508 C1 56 GLY HA1 HB 0.090000 1.0080 0 509 C1 56 GLY HA2 HB 0.090000 1.0080 0 510 C1 56 GLY C C 0.510000 12.0110 0 511 C1 56 GLY O O -0.510000 15.9990 0 512 C1 57 ALA N NH1 -0.470000 14.0070 0 513 C1 57 ALA HN H 0.310000 1.0080 0 514 C1 57 ALA CA CT1 0.070000 12.0110 0 515 C1 57 ALA HA HB 0.090000 1.0080 0 516 C1 57 ALA CB CT3 -0.270000 12.0110 0 517 C1 57 ALA HB1 HA 0.090000 1.0080 0 518 C1 57 ALA HB2 HA 0.090000 1.0080 0 519 C1 57 ALA HB3 HA 0.090000 1.0080 0 520 C1 57 ALA C C 0.510000 12.0110 0 521 C1 57 ALA O O -0.510000 15.9990 0 522 C1 58 GLN N NH1 -0.470000 14.0070 0 523 C1 58 GLN HN H 0.310000 1.0080 0 524 C1 58 GLN CA CT1 0.070000 12.0110 0 525 C1 58 GLN HA HB 0.090000 1.0080 0 526 C1 58 GLN CB CT2 -0.180000 12.0110 0 527 C1 58 GLN HB1 HA 0.090000 1.0080 0 528 C1 58 GLN HB2 HA 0.090000 1.0080 0 529 C1 58 GLN CG CT2 -0.180000 12.0110 0 530 C1 58 GLN HG1 HA 0.090000 1.0080 0 531 C1 58 GLN HG2 HA 0.090000 1.0080 0 532 C1 58 GLN CD CC 0.550000 12.0110 0 533 C1 58 GLN OE1 O -0.550000 15.9990 0 534 C1 58 GLN NE2 NH2 -0.620000 14.0070 0 535 C1 58 GLN HE21 H 0.320000 1.0080 0 536 C1 58 GLN HE22 H 0.300000 1.0080 0 537 C1 58 GLN C C 0.510000 12.0110 0 538 C1 58 GLN O O -0.510000 15.9990 0 539 C1 59 LEU N NH1 -0.470000 14.0070 0 540 C1 59 LEU HN H 0.310000 1.0080 0 541 C1 59 LEU CA CT1 0.070000 12.0110 0 542 C1 59 LEU HA HB 0.090000 1.0080 0 543 C1 59 LEU CB CT2 -0.180000 12.0110 0 544 C1 59 LEU HB1 HA 0.090000 1.0080 0 545 C1 59 LEU HB2 HA 0.090000 1.0080 0 546 C1 59 LEU CG CT1 -0.090000 12.0110 0 547 C1 59 LEU HG HA 0.090000 1.0080 0 548 C1 59 LEU CD1 CT3 -0.270000 12.0110 0 549 C1 59 LEU HD11 HA 0.090000 1.0080 0 550 C1 59 LEU HD12 HA 0.090000 1.0080 0 551 C1 59 LEU HD13 HA 0.090000 1.0080 0 552 C1 59 LEU CD2 CT3 -0.270000 12.0110 0 553 C1 59 LEU HD21 HA 0.090000 1.0080 0 554 C1 59 LEU HD22 HA 0.090000 1.0080 0 555 C1 59 LEU HD23 HA 0.090000 1.0080 0 556 C1 59 LEU C C 0.510000 12.0110 0 557 C1 59 LEU O O -0.510000 15.9990 0 558 C1 60 ILE N NH1 -0.470000 14.0070 0 559 C1 60 ILE HN H 0.310000 1.0080 0 560 C1 60 ILE CA CT1 0.070000 12.0110 0 561 C1 60 ILE HA HB 0.090000 1.0080 0 562 C1 60 ILE CB CT1 -0.090000 12.0110 0 563 C1 60 ILE HB HA 0.090000 1.0080 0 564 C1 60 ILE CG2 CT3 -0.270000 12.0110 0 565 C1 60 ILE HG21 HA 0.090000 1.0080 0 566 C1 60 ILE HG22 HA 0.090000 1.0080 0 567 C1 60 ILE HG23 HA 0.090000 1.0080 0 568 C1 60 ILE CG1 CT2 -0.180000 12.0110 0 569 C1 60 ILE HG11 HA 0.090000 1.0080 0 570 C1 60 ILE HG12 HA 0.090000 1.0080 0 571 C1 60 ILE CD CT3 -0.270000 12.0110 0 572 C1 60 ILE HD1 HA 0.090000 1.0080 0 573 C1 60 ILE HD2 HA 0.090000 1.0080 0 574 C1 60 ILE HD3 HA 0.090000 1.0080 0 575 C1 60 ILE C C 0.510000 12.0110 0 576 C1 60 ILE O O -0.510000 15.9990 0 577 C1 61 THR N NH1 -0.470000 14.0070 0 578 C1 61 THR HN H 0.310000 1.0080 0 579 C1 61 THR CA CT1 0.070000 12.0110 0 580 C1 61 THR HA HB 0.090000 1.0080 0 581 C1 61 THR CB CT1 0.140000 12.0110 0 582 C1 61 THR HB HA 0.090000 1.0080 0 583 C1 61 THR OG1 OH1 -0.660000 15.9990 0 584 C1 61 THR HG1 H 0.430000 1.0080 0 585 C1 61 THR CG2 CT3 -0.270000 12.0110 0 586 C1 61 THR HG21 HA 0.090000 1.0080 0 587 C1 61 THR HG22 HA 0.090000 1.0080 0 588 C1 61 THR HG23 HA 0.090000 1.0080 0 589 C1 61 THR C C 0.510000 12.0110 0 590 C1 61 THR O O -0.510000 15.9990 0 591 C1 62 TYR N NH1 -0.470000 14.0070 0 592 C1 62 TYR HN H 0.310000 1.0080 0 593 C1 62 TYR CA CT1 0.070000 12.0110 0 594 C1 62 TYR HA HB 0.090000 1.0080 0 595 C1 62 TYR CB CT2 -0.180000 12.0110 0 596 C1 62 TYR HB1 HA 0.090000 1.0080 0 597 C1 62 TYR HB2 HA 0.090000 1.0080 0 598 C1 62 TYR CG CA 0.000000 12.0110 0 599 C1 62 TYR CD1 CA -0.115000 12.0110 0 600 C1 62 TYR HD1 HP 0.115000 1.0080 0 601 C1 62 TYR CE1 CA -0.115000 12.0110 0 602 C1 62 TYR HE1 HP 0.115000 1.0080 0 603 C1 62 TYR CZ CA 0.110000 12.0110 0 604 C1 62 TYR OH OH1 -0.540000 15.9990 0 605 C1 62 TYR HH H 0.430000 1.0080 0 606 C1 62 TYR CD2 CA -0.115000 12.0110 0 607 C1 62 TYR HD2 HP 0.115000 1.0080 0 608 C1 62 TYR CE2 CA -0.115000 12.0110 0 609 C1 62 TYR HE2 HP 0.115000 1.0080 0 610 C1 62 TYR C C 0.510000 12.0110 0 611 C1 62 TYR O O -0.510000 15.9990 0 612 C1 63 PRO N N -0.290000 14.0070 0 613 C1 63 PRO CD CP3 0.000000 12.0110 0 614 C1 63 PRO HD1 HA 0.090000 1.0080 0 615 C1 63 PRO HD2 HA 0.090000 1.0080 0 616 C1 63 PRO CA CP1 0.020000 12.0110 0 617 C1 63 PRO HA HB 0.090000 1.0080 0 618 C1 63 PRO CB CP2 -0.180000 12.0110 0 619 C1 63 PRO HB1 HA 0.090000 1.0080 0 620 C1 63 PRO HB2 HA 0.090000 1.0080 0 621 C1 63 PRO CG CP2 -0.180000 12.0110 0 622 C1 63 PRO HG1 HA 0.090000 1.0080 0 623 C1 63 PRO HG2 HA 0.090000 1.0080 0 624 C1 63 PRO C C 0.510000 12.0110 0 625 C1 63 PRO O O -0.510000 15.9990 0 626 C1 64 ARG N NH1 -0.470000 14.0070 0 627 C1 64 ARG HN H 0.310000 1.0080 0 628 C1 64 ARG CA CT1 0.070000 12.0110 0 629 C1 64 ARG HA HB 0.090000 1.0080 0 630 C1 64 ARG CB CT2 -0.180000 12.0110 0 631 C1 64 ARG HB1 HA 0.090000 1.0080 0 632 C1 64 ARG HB2 HA 0.090000 1.0080 0 633 C1 64 ARG CG CT2 -0.180000 12.0110 0 634 C1 64 ARG HG1 HA 0.090000 1.0080 0 635 C1 64 ARG HG2 HA 0.090000 1.0080 0 636 C1 64 ARG CD CT2 0.200000 12.0110 0 637 C1 64 ARG HD1 HA 0.090000 1.0080 0 638 C1 64 ARG HD2 HA 0.090000 1.0080 0 639 C1 64 ARG NE NC2 -0.700000 14.0070 0 640 C1 64 ARG HE HC 0.440000 1.0080 0 641 C1 64 ARG CZ C 0.640000 12.0110 0 642 C1 64 ARG NH1 NC2 -0.800000 14.0070 0 643 C1 64 ARG HH11 HC 0.460000 1.0080 0 644 C1 64 ARG HH12 HC 0.460000 1.0080 0 645 C1 64 ARG NH2 NC2 -0.800000 14.0070 0 646 C1 64 ARG HH21 HC 0.460000 1.0080 0 647 C1 64 ARG HH22 HC 0.460000 1.0080 0 648 C1 64 ARG C C 0.510000 12.0110 0 649 C1 64 ARG O O -0.510000 15.9990 0 650 C1 65 ALA N NH1 -0.470000 14.0070 0 651 C1 65 ALA HN H 0.310000 1.0080 0 652 C1 65 ALA CA CT1 0.070000 12.0110 0 653 C1 65 ALA HA HB 0.090000 1.0080 0 654 C1 65 ALA CB CT3 -0.270000 12.0110 0 655 C1 65 ALA HB1 HA 0.090000 1.0080 0 656 C1 65 ALA HB2 HA 0.090000 1.0080 0 657 C1 65 ALA HB3 HA 0.090000 1.0080 0 658 C1 65 ALA C C 0.510000 12.0110 0 659 C1 65 ALA O O -0.510000 15.9990 0 660 C1 66 LEU N NH1 -0.470000 14.0070 0 661 C1 66 LEU HN H 0.310000 1.0080 0 662 C1 66 LEU CA CT1 0.070000 12.0110 0 663 C1 66 LEU HA HB 0.090000 1.0080 0 664 C1 66 LEU CB CT2 -0.180000 12.0110 0 665 C1 66 LEU HB1 HA 0.090000 1.0080 0 666 C1 66 LEU HB2 HA 0.090000 1.0080 0 667 C1 66 LEU CG CT1 -0.090000 12.0110 0 668 C1 66 LEU HG HA 0.090000 1.0080 0 669 C1 66 LEU CD1 CT3 -0.270000 12.0110 0 670 C1 66 LEU HD11 HA 0.090000 1.0080 0 671 C1 66 LEU HD12 HA 0.090000 1.0080 0 672 C1 66 LEU HD13 HA 0.090000 1.0080 0 673 C1 66 LEU CD2 CT3 -0.270000 12.0110 0 674 C1 66 LEU HD21 HA 0.090000 1.0080 0 675 C1 66 LEU HD22 HA 0.090000 1.0080 0 676 C1 66 LEU HD23 HA 0.090000 1.0080 0 677 C1 66 LEU C C 0.510000 12.0110 0 678 C1 66 LEU O O -0.510000 15.9990 0 679 C1 67 TRP N NH1 -0.470000 14.0070 0 680 C1 67 TRP HN H 0.310000 1.0080 0 681 C1 67 TRP CA CT1 0.070000 12.0110 0 682 C1 67 TRP HA HB 0.090000 1.0080 0 683 C1 67 TRP CB CT2 -0.180000 12.0110 0 684 C1 67 TRP HB1 HA 0.090000 1.0080 0 685 C1 67 TRP HB2 HA 0.090000 1.0080 0 686 C1 67 TRP CG CY -0.030000 12.0110 0 687 C1 67 TRP CD1 CA 0.035000 12.0110 0 688 C1 67 TRP HD1 HP 0.115000 1.0080 0 689 C1 67 TRP NE1 NY -0.610000 14.0070 0 690 C1 67 TRP HE1 H 0.380000 1.0080 0 691 C1 67 TRP CE2 CPT 0.130000 12.0110 0 692 C1 67 TRP CD2 CPT -0.020000 12.0110 0 693 C1 67 TRP CE3 CA -0.115000 12.0110 0 694 C1 67 TRP HE3 HP 0.115000 1.0080 0 695 C1 67 TRP CZ3 CA -0.115000 12.0110 0 696 C1 67 TRP HZ3 HP 0.115000 1.0080 0 697 C1 67 TRP CZ2 CA -0.115000 12.0110 0 698 C1 67 TRP HZ2 HP 0.115000 1.0080 0 699 C1 67 TRP CH2 CA -0.115000 12.0110 0 700 C1 67 TRP HH2 HP 0.115000 1.0080 0 701 C1 67 TRP C C 0.510000 12.0110 0 702 C1 67 TRP O O -0.510000 15.9990 0 703 C1 68 TRP N NH1 -0.470000 14.0070 0 704 C1 68 TRP HN H 0.310000 1.0080 0 705 C1 68 TRP CA CT1 0.070000 12.0110 0 706 C1 68 TRP HA HB 0.090000 1.0080 0 707 C1 68 TRP CB CT2 -0.180000 12.0110 0 708 C1 68 TRP HB1 HA 0.090000 1.0080 0 709 C1 68 TRP HB2 HA 0.090000 1.0080 0 710 C1 68 TRP CG CY -0.030000 12.0110 0 711 C1 68 TRP CD1 CA 0.035000 12.0110 0 712 C1 68 TRP HD1 HP 0.115000 1.0080 0 713 C1 68 TRP NE1 NY -0.610000 14.0070 0 714 C1 68 TRP HE1 H 0.380000 1.0080 0 715 C1 68 TRP CE2 CPT 0.130000 12.0110 0 716 C1 68 TRP CD2 CPT -0.020000 12.0110 0 717 C1 68 TRP CE3 CA -0.115000 12.0110 0 718 C1 68 TRP HE3 HP 0.115000 1.0080 0 719 C1 68 TRP CZ3 CA -0.115000 12.0110 0 720 C1 68 TRP HZ3 HP 0.115000 1.0080 0 721 C1 68 TRP CZ2 CA -0.115000 12.0110 0 722 C1 68 TRP HZ2 HP 0.115000 1.0080 0 723 C1 68 TRP CH2 CA -0.115000 12.0110 0 724 C1 68 TRP HH2 HP 0.115000 1.0080 0 725 C1 68 TRP C C 0.510000 12.0110 0 726 C1 68 TRP O O -0.510000 15.9990 0 727 C1 69 SER N NH1 -0.470000 14.0070 0 728 C1 69 SER HN H 0.310000 1.0080 0 729 C1 69 SER CA CT1 0.070000 12.0110 0 730 C1 69 SER HA HB 0.090000 1.0080 0 731 C1 69 SER CB CT2 0.050000 12.0110 0 732 C1 69 SER HB1 HA 0.090000 1.0080 0 733 C1 69 SER HB2 HA 0.090000 1.0080 0 734 C1 69 SER OG OH1 -0.660000 15.9990 0 735 C1 69 SER HG1 H 0.430000 1.0080 0 736 C1 69 SER C C 0.510000 12.0110 0 737 C1 69 SER O O -0.510000 15.9990 0 738 C1 70 VAL N NH1 -0.470000 14.0070 0 739 C1 70 VAL HN H 0.310000 1.0080 0 740 C1 70 VAL CA CT1 0.070000 12.0110 0 741 C1 70 VAL HA HB 0.090000 1.0080 0 742 C1 70 VAL CB CT1 -0.090000 12.0110 0 743 C1 70 VAL HB HA 0.090000 1.0080 0 744 C1 70 VAL CG1 CT3 -0.270000 12.0110 0 745 C1 70 VAL HG11 HA 0.090000 1.0080 0 746 C1 70 VAL HG12 HA 0.090000 1.0080 0 747 C1 70 VAL HG13 HA 0.090000 1.0080 0 748 C1 70 VAL CG2 CT3 -0.270000 12.0110 0 749 C1 70 VAL HG21 HA 0.090000 1.0080 0 750 C1 70 VAL HG22 HA 0.090000 1.0080 0 751 C1 70 VAL HG23 HA 0.090000 1.0080 0 752 C1 70 VAL C C 0.510000 12.0110 0 753 C1 70 VAL O O -0.510000 15.9990 0 754 C1 71 GLU CG CT2 -0.210000 12.0110 0 755 C1 71 GLU HG1 HA 0.090000 1.0080 0 756 C1 71 GLU HG2 HA 0.090000 1.0080 0 757 C1 71 GLU CD CD 0.750000 12.0110 0 758 C1 71 GLU OE1 OB -0.550000 15.9990 0 759 C1 71 GLU OE2 OH1 -0.610000 15.9990 0 760 C1 71 GLU HE2 H 0.440000 1.0080 0 761 C1 71 GLU N NH1 -0.470000 14.0070 0 762 C1 71 GLU HN H 0.310000 1.0080 0 763 C1 71 GLU CA CT1 0.070000 12.0110 0 764 C1 71 GLU HA HB 0.090000 1.0080 0 765 C1 71 GLU CB CT2 -0.180000 12.0110 0 766 C1 71 GLU HB1 HA 0.090000 1.0080 0 767 C1 71 GLU HB2 HA 0.090000 1.0080 0 768 C1 71 GLU C C 0.510000 12.0110 0 769 C1 71 GLU O O -0.510000 15.9990 0 770 C1 72 THR N NH1 -0.470000 14.0070 0 771 C1 72 THR HN H 0.310000 1.0080 0 772 C1 72 THR CA CT1 0.070000 12.0110 0 773 C1 72 THR HA HB 0.090000 1.0080 0 774 C1 72 THR CB CT1 0.140000 12.0110 0 775 C1 72 THR HB HA 0.090000 1.0080 0 776 C1 72 THR OG1 OH1 -0.660000 15.9990 0 777 C1 72 THR HG1 H 0.430000 1.0080 0 778 C1 72 THR CG2 CT3 -0.270000 12.0110 0 779 C1 72 THR HG21 HA 0.090000 1.0080 0 780 C1 72 THR HG22 HA 0.090000 1.0080 0 781 C1 72 THR HG23 HA 0.090000 1.0080 0 782 C1 72 THR C C 0.510000 12.0110 0 783 C1 72 THR O O -0.510000 15.9990 0 784 C1 73 ALA N NH1 -0.470000 14.0070 0 785 C1 73 ALA HN H 0.310000 1.0080 0 786 C1 73 ALA CA CT1 0.070000 12.0110 0 787 C1 73 ALA HA HB 0.090000 1.0080 0 788 C1 73 ALA CB CT3 -0.270000 12.0110 0 789 C1 73 ALA HB1 HA 0.090000 1.0080 0 790 C1 73 ALA HB2 HA 0.090000 1.0080 0 791 C1 73 ALA HB3 HA 0.090000 1.0080 0 792 C1 73 ALA C C 0.510000 12.0110 0 793 C1 73 ALA O O -0.510000 15.9990 0 794 C1 74 THR N NH1 -0.470000 14.0070 0 795 C1 74 THR HN H 0.310000 1.0080 0 796 C1 74 THR CA CT1 0.070000 12.0110 0 797 C1 74 THR HA HB 0.090000 1.0080 0 798 C1 74 THR CB CT1 0.140000 12.0110 0 799 C1 74 THR HB HA 0.090000 1.0080 0 800 C1 74 THR OG1 OH1 -0.660000 15.9990 0 801 C1 74 THR HG1 H 0.430000 1.0080 0 802 C1 74 THR CG2 CT3 -0.270000 12.0110 0 803 C1 74 THR HG21 HA 0.090000 1.0080 0 804 C1 74 THR HG22 HA 0.090000 1.0080 0 805 C1 74 THR HG23 HA 0.090000 1.0080 0 806 C1 74 THR C C 0.510000 12.0110 0 807 C1 74 THR O O -0.510000 15.9990 0 808 C1 75 THR N NH1 -0.470000 14.0070 0 809 C1 75 THR HN H 0.310000 1.0080 0 810 C1 75 THR CA CT1 0.070000 12.0110 0 811 C1 75 THR HA HB 0.090000 1.0080 0 812 C1 75 THR CB CT1 0.140000 12.0110 0 813 C1 75 THR HB HA 0.090000 1.0080 0 814 C1 75 THR OG1 OH1 -0.660000 15.9990 0 815 C1 75 THR HG1 H 0.430000 1.0080 0 816 C1 75 THR CG2 CT3 -0.270000 12.0110 0 817 C1 75 THR HG21 HA 0.090000 1.0080 0 818 C1 75 THR HG22 HA 0.090000 1.0080 0 819 C1 75 THR HG23 HA 0.090000 1.0080 0 820 C1 75 THR C C 0.510000 12.0110 0 821 C1 75 THR O O -0.510000 15.9990 0 822 C1 76 VAL N NH1 -0.470000 14.0070 0 823 C1 76 VAL HN H 0.310000 1.0080 0 824 C1 76 VAL CA CT1 0.070000 12.0110 0 825 C1 76 VAL HA HB 0.090000 1.0080 0 826 C1 76 VAL CB CT1 -0.090000 12.0110 0 827 C1 76 VAL HB HA 0.090000 1.0080 0 828 C1 76 VAL CG1 CT3 -0.270000 12.0110 0 829 C1 76 VAL HG11 HA 0.090000 1.0080 0 830 C1 76 VAL HG12 HA 0.090000 1.0080 0 831 C1 76 VAL HG13 HA 0.090000 1.0080 0 832 C1 76 VAL CG2 CT3 -0.270000 12.0110 0 833 C1 76 VAL HG21 HA 0.090000 1.0080 0 834 C1 76 VAL HG22 HA 0.090000 1.0080 0 835 C1 76 VAL HG23 HA 0.090000 1.0080 0 836 C1 76 VAL C C 0.510000 12.0110 0 837 C1 76 VAL O O -0.510000 15.9990 0 838 C1 77 GLY N NH1 -0.470000 14.0070 0 839 C1 77 GLY HN H 0.310000 1.0080 0 840 C1 77 GLY CA CT2 -0.020000 12.0110 0 841 C1 77 GLY HA1 HB 0.090000 1.0080 0 842 C1 77 GLY HA2 HB 0.090000 1.0080 0 843 C1 77 GLY C C 0.510000 12.0110 0 844 C1 77 GLY O O -0.510000 15.9990 0 845 C1 78 TYR N NH1 -0.470000 14.0070 0 846 C1 78 TYR HN H 0.310000 1.0080 0 847 C1 78 TYR CA CT1 0.070000 12.0110 0 848 C1 78 TYR HA HB 0.090000 1.0080 0 849 C1 78 TYR CB CT2 -0.180000 12.0110 0 850 C1 78 TYR HB1 HA 0.090000 1.0080 0 851 C1 78 TYR HB2 HA 0.090000 1.0080 0 852 C1 78 TYR CG CA 0.000000 12.0110 0 853 C1 78 TYR CD1 CA -0.115000 12.0110 0 854 C1 78 TYR HD1 HP 0.115000 1.0080 0 855 C1 78 TYR CE1 CA -0.115000 12.0110 0 856 C1 78 TYR HE1 HP 0.115000 1.0080 0 857 C1 78 TYR CZ CA 0.110000 12.0110 0 858 C1 78 TYR OH OH1 -0.540000 15.9990 0 859 C1 78 TYR HH H 0.430000 1.0080 0 860 C1 78 TYR CD2 CA -0.115000 12.0110 0 861 C1 78 TYR HD2 HP 0.115000 1.0080 0 862 C1 78 TYR CE2 CA -0.115000 12.0110 0 863 C1 78 TYR HE2 HP 0.115000 1.0080 0 864 C1 78 TYR C C 0.510000 12.0110 0 865 C1 78 TYR O O -0.510000 15.9990 0 866 C1 79 GLY N NH1 -0.470000 14.0070 0 867 C1 79 GLY HN H 0.310000 1.0080 0 868 C1 79 GLY CA CT2 -0.020000 12.0110 0 869 C1 79 GLY HA1 HB 0.090000 1.0080 0 870 C1 79 GLY HA2 HB 0.090000 1.0080 0 871 C1 79 GLY C C 0.510000 12.0110 0 872 C1 79 GLY O O -0.510000 15.9990 0 873 C1 80 ASP N NH1 -0.470000 14.0070 0 874 C1 80 ASP HN H 0.310000 1.0080 0 875 C1 80 ASP CA CT1 0.070000 12.0110 0 876 C1 80 ASP HA HB 0.090000 1.0080 0 877 C1 80 ASP CB CT2 -0.280000 12.0110 0 878 C1 80 ASP HB1 HA 0.090000 1.0080 0 879 C1 80 ASP HB2 HA 0.090000 1.0080 0 880 C1 80 ASP CG CC 0.620000 12.0110 0 881 C1 80 ASP OD1 OC -0.760000 15.9990 0 882 C1 80 ASP OD2 OC -0.760000 15.9990 0 883 C1 80 ASP C C 0.510000 12.0110 0 884 C1 80 ASP O O -0.510000 15.9990 0 885 C1 81 LEU N NH1 -0.470000 14.0070 0 886 C1 81 LEU HN H 0.310000 1.0080 0 887 C1 81 LEU CA CT1 0.070000 12.0110 0 888 C1 81 LEU HA HB 0.090000 1.0080 0 889 C1 81 LEU CB CT2 -0.180000 12.0110 0 890 C1 81 LEU HB1 HA 0.090000 1.0080 0 891 C1 81 LEU HB2 HA 0.090000 1.0080 0 892 C1 81 LEU CG CT1 -0.090000 12.0110 0 893 C1 81 LEU HG HA 0.090000 1.0080 0 894 C1 81 LEU CD1 CT3 -0.270000 12.0110 0 895 C1 81 LEU HD11 HA 0.090000 1.0080 0 896 C1 81 LEU HD12 HA 0.090000 1.0080 0 897 C1 81 LEU HD13 HA 0.090000 1.0080 0 898 C1 81 LEU CD2 CT3 -0.270000 12.0110 0 899 C1 81 LEU HD21 HA 0.090000 1.0080 0 900 C1 81 LEU HD22 HA 0.090000 1.0080 0 901 C1 81 LEU HD23 HA 0.090000 1.0080 0 902 C1 81 LEU C C 0.510000 12.0110 0 903 C1 81 LEU O O -0.510000 15.9990 0 904 C1 82 TYR N NH1 -0.470000 14.0070 0 905 C1 82 TYR HN H 0.310000 1.0080 0 906 C1 82 TYR CA CT1 0.070000 12.0110 0 907 C1 82 TYR HA HB 0.090000 1.0080 0 908 C1 82 TYR CB CT2 -0.180000 12.0110 0 909 C1 82 TYR HB1 HA 0.090000 1.0080 0 910 C1 82 TYR HB2 HA 0.090000 1.0080 0 911 C1 82 TYR CG CA 0.000000 12.0110 0 912 C1 82 TYR CD1 CA -0.115000 12.0110 0 913 C1 82 TYR HD1 HP 0.115000 1.0080 0 914 C1 82 TYR CE1 CA -0.115000 12.0110 0 915 C1 82 TYR HE1 HP 0.115000 1.0080 0 916 C1 82 TYR CZ CA 0.110000 12.0110 0 917 C1 82 TYR OH OH1 -0.540000 15.9990 0 918 C1 82 TYR HH H 0.430000 1.0080 0 919 C1 82 TYR CD2 CA -0.115000 12.0110 0 920 C1 82 TYR HD2 HP 0.115000 1.0080 0 921 C1 82 TYR CE2 CA -0.115000 12.0110 0 922 C1 82 TYR HE2 HP 0.115000 1.0080 0 923 C1 82 TYR C C 0.510000 12.0110 0 924 C1 82 TYR O O -0.510000 15.9990 0 925 C1 83 PRO N N -0.290000 14.0070 0 926 C1 83 PRO CD CP3 0.000000 12.0110 0 927 C1 83 PRO HD1 HA 0.090000 1.0080 0 928 C1 83 PRO HD2 HA 0.090000 1.0080 0 929 C1 83 PRO CA CP1 0.020000 12.0110 0 930 C1 83 PRO HA HB 0.090000 1.0080 0 931 C1 83 PRO CB CP2 -0.180000 12.0110 0 932 C1 83 PRO HB1 HA 0.090000 1.0080 0 933 C1 83 PRO HB2 HA 0.090000 1.0080 0 934 C1 83 PRO CG CP2 -0.180000 12.0110 0 935 C1 83 PRO HG1 HA 0.090000 1.0080 0 936 C1 83 PRO HG2 HA 0.090000 1.0080 0 937 C1 83 PRO C C 0.510000 12.0110 0 938 C1 83 PRO O O -0.510000 15.9990 0 939 C1 84 VAL N NH1 -0.470000 14.0070 0 940 C1 84 VAL HN H 0.310000 1.0080 0 941 C1 84 VAL CA CT1 0.070000 12.0110 0 942 C1 84 VAL HA HB 0.090000 1.0080 0 943 C1 84 VAL CB CT1 -0.090000 12.0110 0 944 C1 84 VAL HB HA 0.090000 1.0080 0 945 C1 84 VAL CG1 CT3 -0.270000 12.0110 0 946 C1 84 VAL HG11 HA 0.090000 1.0080 0 947 C1 84 VAL HG12 HA 0.090000 1.0080 0 948 C1 84 VAL HG13 HA 0.090000 1.0080 0 949 C1 84 VAL CG2 CT3 -0.270000 12.0110 0 950 C1 84 VAL HG21 HA 0.090000 1.0080 0 951 C1 84 VAL HG22 HA 0.090000 1.0080 0 952 C1 84 VAL HG23 HA 0.090000 1.0080 0 953 C1 84 VAL C C 0.510000 12.0110 0 954 C1 84 VAL O O -0.510000 15.9990 0 955 C1 85 THR N NH1 -0.470000 14.0070 0 956 C1 85 THR HN H 0.310000 1.0080 0 957 C1 85 THR CA CT1 0.070000 12.0110 0 958 C1 85 THR HA HB 0.090000 1.0080 0 959 C1 85 THR CB CT1 0.140000 12.0110 0 960 C1 85 THR HB HA 0.090000 1.0080 0 961 C1 85 THR OG1 OH1 -0.660000 15.9990 0 962 C1 85 THR HG1 H 0.430000 1.0080 0 963 C1 85 THR CG2 CT3 -0.270000 12.0110 0 964 C1 85 THR HG21 HA 0.090000 1.0080 0 965 C1 85 THR HG22 HA 0.090000 1.0080 0 966 C1 85 THR HG23 HA 0.090000 1.0080 0 967 C1 85 THR C C 0.510000 12.0110 0 968 C1 85 THR O O -0.510000 15.9990 0 969 C1 86 LEU N NH1 -0.470000 14.0070 0 970 C1 86 LEU HN H 0.310000 1.0080 0 971 C1 86 LEU CA CT1 0.070000 12.0110 0 972 C1 86 LEU HA HB 0.090000 1.0080 0 973 C1 86 LEU CB CT2 -0.180000 12.0110 0 974 C1 86 LEU HB1 HA 0.090000 1.0080 0 975 C1 86 LEU HB2 HA 0.090000 1.0080 0 976 C1 86 LEU CG CT1 -0.090000 12.0110 0 977 C1 86 LEU HG HA 0.090000 1.0080 0 978 C1 86 LEU CD1 CT3 -0.270000 12.0110 0 979 C1 86 LEU HD11 HA 0.090000 1.0080 0 980 C1 86 LEU HD12 HA 0.090000 1.0080 0 981 C1 86 LEU HD13 HA 0.090000 1.0080 0 982 C1 86 LEU CD2 CT3 -0.270000 12.0110 0 983 C1 86 LEU HD21 HA 0.090000 1.0080 0 984 C1 86 LEU HD22 HA 0.090000 1.0080 0 985 C1 86 LEU HD23 HA 0.090000 1.0080 0 986 C1 86 LEU C C 0.510000 12.0110 0 987 C1 86 LEU O O -0.510000 15.9990 0 988 C1 87 TRP N NH1 -0.470000 14.0070 0 989 C1 87 TRP HN H 0.310000 1.0080 0 990 C1 87 TRP CA CT1 0.070000 12.0110 0 991 C1 87 TRP HA HB 0.090000 1.0080 0 992 C1 87 TRP CB CT2 -0.180000 12.0110 0 993 C1 87 TRP HB1 HA 0.090000 1.0080 0 994 C1 87 TRP HB2 HA 0.090000 1.0080 0 995 C1 87 TRP CG CY -0.030000 12.0110 0 996 C1 87 TRP CD1 CA 0.035000 12.0110 0 997 C1 87 TRP HD1 HP 0.115000 1.0080 0 998 C1 87 TRP NE1 NY -0.610000 14.0070 0 999 C1 87 TRP HE1 H 0.380000 1.0080 0 1000 C1 87 TRP CE2 CPT 0.130000 12.0110 0 1001 C1 87 TRP CD2 CPT -0.020000 12.0110 0 1002 C1 87 TRP CE3 CA -0.115000 12.0110 0 1003 C1 87 TRP HE3 HP 0.115000 1.0080 0 1004 C1 87 TRP CZ3 CA -0.115000 12.0110 0 1005 C1 87 TRP HZ3 HP 0.115000 1.0080 0 1006 C1 87 TRP CZ2 CA -0.115000 12.0110 0 1007 C1 87 TRP HZ2 HP 0.115000 1.0080 0 1008 C1 87 TRP CH2 CA -0.115000 12.0110 0 1009 C1 87 TRP HH2 HP 0.115000 1.0080 0 1010 C1 87 TRP C C 0.510000 12.0110 0 1011 C1 87 TRP O O -0.510000 15.9990 0 1012 C1 88 GLY N NH1 -0.470000 14.0070 0 1013 C1 88 GLY HN H 0.310000 1.0080 0 1014 C1 88 GLY CA CT2 -0.020000 12.0110 0 1015 C1 88 GLY HA1 HB 0.090000 1.0080 0 1016 C1 88 GLY HA2 HB 0.090000 1.0080 0 1017 C1 88 GLY C C 0.510000 12.0110 0 1018 C1 88 GLY O O -0.510000 15.9990 0 1019 C1 89 ARG N NH1 -0.470000 14.0070 0 1020 C1 89 ARG HN H 0.310000 1.0080 0 1021 C1 89 ARG CA CT1 0.070000 12.0110 0 1022 C1 89 ARG HA HB 0.090000 1.0080 0 1023 C1 89 ARG CB CT2 -0.180000 12.0110 0 1024 C1 89 ARG HB1 HA 0.090000 1.0080 0 1025 C1 89 ARG HB2 HA 0.090000 1.0080 0 1026 C1 89 ARG CG CT2 -0.180000 12.0110 0 1027 C1 89 ARG HG1 HA 0.090000 1.0080 0 1028 C1 89 ARG HG2 HA 0.090000 1.0080 0 1029 C1 89 ARG CD CT2 0.200000 12.0110 0 1030 C1 89 ARG HD1 HA 0.090000 1.0080 0 1031 C1 89 ARG HD2 HA 0.090000 1.0080 0 1032 C1 89 ARG NE NC2 -0.700000 14.0070 0 1033 C1 89 ARG HE HC 0.440000 1.0080 0 1034 C1 89 ARG CZ C 0.640000 12.0110 0 1035 C1 89 ARG NH1 NC2 -0.800000 14.0070 0 1036 C1 89 ARG HH11 HC 0.460000 1.0080 0 1037 C1 89 ARG HH12 HC 0.460000 1.0080 0 1038 C1 89 ARG NH2 NC2 -0.800000 14.0070 0 1039 C1 89 ARG HH21 HC 0.460000 1.0080 0 1040 C1 89 ARG HH22 HC 0.460000 1.0080 0 1041 C1 89 ARG C C 0.510000 12.0110 0 1042 C1 89 ARG O O -0.510000 15.9990 0 1043 C1 90 CYS N NH1 -0.470000 14.0070 0 1044 C1 90 CYS HN H 0.310000 1.0080 0 1045 C1 90 CYS CA CT1 0.070000 12.0110 0 1046 C1 90 CYS HA HB 0.090000 1.0080 0 1047 C1 90 CYS CB CT2 -0.110000 12.0110 0 1048 C1 90 CYS HB1 HA 0.090000 1.0080 0 1049 C1 90 CYS HB2 HA 0.090000 1.0080 0 1050 C1 90 CYS SG S -0.230000 32.0600 0 1051 C1 90 CYS HG1 HS 0.160000 1.0080 0 1052 C1 90 CYS C C 0.510000 12.0110 0 1053 C1 90 CYS O O -0.510000 15.9990 0 1054 C1 91 VAL N NH1 -0.470000 14.0070 0 1055 C1 91 VAL HN H 0.310000 1.0080 0 1056 C1 91 VAL CA CT1 0.070000 12.0110 0 1057 C1 91 VAL HA HB 0.090000 1.0080 0 1058 C1 91 VAL CB CT1 -0.090000 12.0110 0 1059 C1 91 VAL HB HA 0.090000 1.0080 0 1060 C1 91 VAL CG1 CT3 -0.270000 12.0110 0 1061 C1 91 VAL HG11 HA 0.090000 1.0080 0 1062 C1 91 VAL HG12 HA 0.090000 1.0080 0 1063 C1 91 VAL HG13 HA 0.090000 1.0080 0 1064 C1 91 VAL CG2 CT3 -0.270000 12.0110 0 1065 C1 91 VAL HG21 HA 0.090000 1.0080 0 1066 C1 91 VAL HG22 HA 0.090000 1.0080 0 1067 C1 91 VAL HG23 HA 0.090000 1.0080 0 1068 C1 91 VAL C C 0.510000 12.0110 0 1069 C1 91 VAL O O -0.510000 15.9990 0 1070 C1 92 ALA N NH1 -0.470000 14.0070 0 1071 C1 92 ALA HN H 0.310000 1.0080 0 1072 C1 92 ALA CA CT1 0.070000 12.0110 0 1073 C1 92 ALA HA HB 0.090000 1.0080 0 1074 C1 92 ALA CB CT3 -0.270000 12.0110 0 1075 C1 92 ALA HB1 HA 0.090000 1.0080 0 1076 C1 92 ALA HB2 HA 0.090000 1.0080 0 1077 C1 92 ALA HB3 HA 0.090000 1.0080 0 1078 C1 92 ALA C C 0.510000 12.0110 0 1079 C1 92 ALA O O -0.510000 15.9990 0 1080 C1 93 VAL N NH1 -0.470000 14.0070 0 1081 C1 93 VAL HN H 0.310000 1.0080 0 1082 C1 93 VAL CA CT1 0.070000 12.0110 0 1083 C1 93 VAL HA HB 0.090000 1.0080 0 1084 C1 93 VAL CB CT1 -0.090000 12.0110 0 1085 C1 93 VAL HB HA 0.090000 1.0080 0 1086 C1 93 VAL CG1 CT3 -0.270000 12.0110 0 1087 C1 93 VAL HG11 HA 0.090000 1.0080 0 1088 C1 93 VAL HG12 HA 0.090000 1.0080 0 1089 C1 93 VAL HG13 HA 0.090000 1.0080 0 1090 C1 93 VAL CG2 CT3 -0.270000 12.0110 0 1091 C1 93 VAL HG21 HA 0.090000 1.0080 0 1092 C1 93 VAL HG22 HA 0.090000 1.0080 0 1093 C1 93 VAL HG23 HA 0.090000 1.0080 0 1094 C1 93 VAL C C 0.510000 12.0110 0 1095 C1 93 VAL O O -0.510000 15.9990 0 1096 C1 94 VAL N NH1 -0.470000 14.0070 0 1097 C1 94 VAL HN H 0.310000 1.0080 0 1098 C1 94 VAL CA CT1 0.070000 12.0110 0 1099 C1 94 VAL HA HB 0.090000 1.0080 0 1100 C1 94 VAL CB CT1 -0.090000 12.0110 0 1101 C1 94 VAL HB HA 0.090000 1.0080 0 1102 C1 94 VAL CG1 CT3 -0.270000 12.0110 0 1103 C1 94 VAL HG11 HA 0.090000 1.0080 0 1104 C1 94 VAL HG12 HA 0.090000 1.0080 0 1105 C1 94 VAL HG13 HA 0.090000 1.0080 0 1106 C1 94 VAL CG2 CT3 -0.270000 12.0110 0 1107 C1 94 VAL HG21 HA 0.090000 1.0080 0 1108 C1 94 VAL HG22 HA 0.090000 1.0080 0 1109 C1 94 VAL HG23 HA 0.090000 1.0080 0 1110 C1 94 VAL C C 0.510000 12.0110 0 1111 C1 94 VAL O O -0.510000 15.9990 0 1112 C1 95 VAL N NH1 -0.470000 14.0070 0 1113 C1 95 VAL HN H 0.310000 1.0080 0 1114 C1 95 VAL CA CT1 0.070000 12.0110 0 1115 C1 95 VAL HA HB 0.090000 1.0080 0 1116 C1 95 VAL CB CT1 -0.090000 12.0110 0 1117 C1 95 VAL HB HA 0.090000 1.0080 0 1118 C1 95 VAL CG1 CT3 -0.270000 12.0110 0 1119 C1 95 VAL HG11 HA 0.090000 1.0080 0 1120 C1 95 VAL HG12 HA 0.090000 1.0080 0 1121 C1 95 VAL HG13 HA 0.090000 1.0080 0 1122 C1 95 VAL CG2 CT3 -0.270000 12.0110 0 1123 C1 95 VAL HG21 HA 0.090000 1.0080 0 1124 C1 95 VAL HG22 HA 0.090000 1.0080 0 1125 C1 95 VAL HG23 HA 0.090000 1.0080 0 1126 C1 95 VAL C C 0.510000 12.0110 0 1127 C1 95 VAL O O -0.510000 15.9990 0 1128 C1 96 MET N NH1 -0.470000 14.0070 0 1129 C1 96 MET HN H 0.310000 1.0080 0 1130 C1 96 MET CA CT1 0.070000 12.0110 0 1131 C1 96 MET HA HB 0.090000 1.0080 0 1132 C1 96 MET CB CT2 -0.180000 12.0110 0 1133 C1 96 MET HB1 HA 0.090000 1.0080 0 1134 C1 96 MET HB2 HA 0.090000 1.0080 0 1135 C1 96 MET CG CT2 -0.140000 12.0110 0 1136 C1 96 MET HG1 HA 0.090000 1.0080 0 1137 C1 96 MET HG2 HA 0.090000 1.0080 0 1138 C1 96 MET SD S -0.090000 32.0600 0 1139 C1 96 MET CE CT3 -0.220000 12.0110 0 1140 C1 96 MET HE1 HA 0.090000 1.0080 0 1141 C1 96 MET HE2 HA 0.090000 1.0080 0 1142 C1 96 MET HE3 HA 0.090000 1.0080 0 1143 C1 96 MET C C 0.510000 12.0110 0 1144 C1 96 MET O O -0.510000 15.9990 0 1145 C1 97 VAL N NH1 -0.470000 14.0070 0 1146 C1 97 VAL HN H 0.310000 1.0080 0 1147 C1 97 VAL CA CT1 0.070000 12.0110 0 1148 C1 97 VAL HA HB 0.090000 1.0080 0 1149 C1 97 VAL CB CT1 -0.090000 12.0110 0 1150 C1 97 VAL HB HA 0.090000 1.0080 0 1151 C1 97 VAL CG1 CT3 -0.270000 12.0110 0 1152 C1 97 VAL HG11 HA 0.090000 1.0080 0 1153 C1 97 VAL HG12 HA 0.090000 1.0080 0 1154 C1 97 VAL HG13 HA 0.090000 1.0080 0 1155 C1 97 VAL CG2 CT3 -0.270000 12.0110 0 1156 C1 97 VAL HG21 HA 0.090000 1.0080 0 1157 C1 97 VAL HG22 HA 0.090000 1.0080 0 1158 C1 97 VAL HG23 HA 0.090000 1.0080 0 1159 C1 97 VAL C C 0.510000 12.0110 0 1160 C1 97 VAL O O -0.510000 15.9990 0 1161 C1 98 ALA N NH1 -0.470000 14.0070 0 1162 C1 98 ALA HN H 0.310000 1.0080 0 1163 C1 98 ALA CA CT1 0.070000 12.0110 0 1164 C1 98 ALA HA HB 0.090000 1.0080 0 1165 C1 98 ALA CB CT3 -0.270000 12.0110 0 1166 C1 98 ALA HB1 HA 0.090000 1.0080 0 1167 C1 98 ALA HB2 HA 0.090000 1.0080 0 1168 C1 98 ALA HB3 HA 0.090000 1.0080 0 1169 C1 98 ALA C C 0.510000 12.0110 0 1170 C1 98 ALA O O -0.510000 15.9990 0 1171 C1 99 GLY N NH1 -0.470000 14.0070 0 1172 C1 99 GLY HN H 0.310000 1.0080 0 1173 C1 99 GLY CA CT2 -0.020000 12.0110 0 1174 C1 99 GLY HA1 HB 0.090000 1.0080 0 1175 C1 99 GLY HA2 HB 0.090000 1.0080 0 1176 C1 99 GLY C C 0.510000 12.0110 0 1177 C1 99 GLY O O -0.510000 15.9990 0 1178 C1 100 ILE N NH1 -0.470000 14.0070 0 1179 C1 100 ILE HN H 0.310000 1.0080 0 1180 C1 100 ILE CA CT1 0.070000 12.0110 0 1181 C1 100 ILE HA HB 0.090000 1.0080 0 1182 C1 100 ILE CB CT1 -0.090000 12.0110 0 1183 C1 100 ILE HB HA 0.090000 1.0080 0 1184 C1 100 ILE CG2 CT3 -0.270000 12.0110 0 1185 C1 100 ILE HG21 HA 0.090000 1.0080 0 1186 C1 100 ILE HG22 HA 0.090000 1.0080 0 1187 C1 100 ILE HG23 HA 0.090000 1.0080 0 1188 C1 100 ILE CG1 CT2 -0.180000 12.0110 0 1189 C1 100 ILE HG11 HA 0.090000 1.0080 0 1190 C1 100 ILE HG12 HA 0.090000 1.0080 0 1191 C1 100 ILE CD CT3 -0.270000 12.0110 0 1192 C1 100 ILE HD1 HA 0.090000 1.0080 0 1193 C1 100 ILE HD2 HA 0.090000 1.0080 0 1194 C1 100 ILE HD3 HA 0.090000 1.0080 0 1195 C1 100 ILE C C 0.510000 12.0110 0 1196 C1 100 ILE O O -0.510000 15.9990 0 1197 C1 101 THR N NH1 -0.470000 14.0070 0 1198 C1 101 THR HN H 0.310000 1.0080 0 1199 C1 101 THR CA CT1 0.070000 12.0110 0 1200 C1 101 THR HA HB 0.090000 1.0080 0 1201 C1 101 THR CB CT1 0.140000 12.0110 0 1202 C1 101 THR HB HA 0.090000 1.0080 0 1203 C1 101 THR OG1 OH1 -0.660000 15.9990 0 1204 C1 101 THR HG1 H 0.430000 1.0080 0 1205 C1 101 THR CG2 CT3 -0.270000 12.0110 0 1206 C1 101 THR HG21 HA 0.090000 1.0080 0 1207 C1 101 THR HG22 HA 0.090000 1.0080 0 1208 C1 101 THR HG23 HA 0.090000 1.0080 0 1209 C1 101 THR C C 0.510000 12.0110 0 1210 C1 101 THR O O -0.510000 15.9990 0 1211 C1 102 SER N NH1 -0.470000 14.0070 0 1212 C1 102 SER HN H 0.310000 1.0080 0 1213 C1 102 SER CA CT1 0.070000 12.0110 0 1214 C1 102 SER HA HB 0.090000 1.0080 0 1215 C1 102 SER CB CT2 0.050000 12.0110 0 1216 C1 102 SER HB1 HA 0.090000 1.0080 0 1217 C1 102 SER HB2 HA 0.090000 1.0080 0 1218 C1 102 SER OG OH1 -0.660000 15.9990 0 1219 C1 102 SER HG1 H 0.430000 1.0080 0 1220 C1 102 SER C C 0.510000 12.0110 0 1221 C1 102 SER O O -0.510000 15.9990 0 1222 C1 103 PHE N NH1 -0.470000 14.0070 0 1223 C1 103 PHE HN H 0.310000 1.0080 0 1224 C1 103 PHE CA CT1 0.070000 12.0110 0 1225 C1 103 PHE HA HB 0.090000 1.0080 0 1226 C1 103 PHE CB CT2 -0.180000 12.0110 0 1227 C1 103 PHE HB1 HA 0.090000 1.0080 0 1228 C1 103 PHE HB2 HA 0.090000 1.0080 0 1229 C1 103 PHE CG CA 0.000000 12.0110 0 1230 C1 103 PHE CD1 CA -0.115000 12.0110 0 1231 C1 103 PHE HD1 HP 0.115000 1.0080 0 1232 C1 103 PHE CE1 CA -0.115000 12.0110 0 1233 C1 103 PHE HE1 HP 0.115000 1.0080 0 1234 C1 103 PHE CZ CA -0.115000 12.0110 0 1235 C1 103 PHE HZ HP 0.115000 1.0080 0 1236 C1 103 PHE CD2 CA -0.115000 12.0110 0 1237 C1 103 PHE HD2 HP 0.115000 1.0080 0 1238 C1 103 PHE CE2 CA -0.115000 12.0110 0 1239 C1 103 PHE HE2 HP 0.115000 1.0080 0 1240 C1 103 PHE C C 0.510000 12.0110 0 1241 C1 103 PHE O O -0.510000 15.9990 0 1242 C1 104 GLY N NH1 -0.470000 14.0070 0 1243 C1 104 GLY HN H 0.310000 1.0080 0 1244 C1 104 GLY CA CT2 -0.020000 12.0110 0 1245 C1 104 GLY HA1 HB 0.090000 1.0080 0 1246 C1 104 GLY HA2 HB 0.090000 1.0080 0 1247 C1 104 GLY C C 0.510000 12.0110 0 1248 C1 104 GLY O O -0.510000 15.9990 0 1249 C1 105 LEU N NH1 -0.470000 14.0070 0 1250 C1 105 LEU HN H 0.310000 1.0080 0 1251 C1 105 LEU CA CT1 0.070000 12.0110 0 1252 C1 105 LEU HA HB 0.090000 1.0080 0 1253 C1 105 LEU CB CT2 -0.180000 12.0110 0 1254 C1 105 LEU HB1 HA 0.090000 1.0080 0 1255 C1 105 LEU HB2 HA 0.090000 1.0080 0 1256 C1 105 LEU CG CT1 -0.090000 12.0110 0 1257 C1 105 LEU HG HA 0.090000 1.0080 0 1258 C1 105 LEU CD1 CT3 -0.270000 12.0110 0 1259 C1 105 LEU HD11 HA 0.090000 1.0080 0 1260 C1 105 LEU HD12 HA 0.090000 1.0080 0 1261 C1 105 LEU HD13 HA 0.090000 1.0080 0 1262 C1 105 LEU CD2 CT3 -0.270000 12.0110 0 1263 C1 105 LEU HD21 HA 0.090000 1.0080 0 1264 C1 105 LEU HD22 HA 0.090000 1.0080 0 1265 C1 105 LEU HD23 HA 0.090000 1.0080 0 1266 C1 105 LEU C C 0.510000 12.0110 0 1267 C1 105 LEU O O -0.510000 15.9990 0 1268 C1 106 VAL N NH1 -0.470000 14.0070 0 1269 C1 106 VAL HN H 0.310000 1.0080 0 1270 C1 106 VAL CA CT1 0.070000 12.0110 0 1271 C1 106 VAL HA HB 0.090000 1.0080 0 1272 C1 106 VAL CB CT1 -0.090000 12.0110 0 1273 C1 106 VAL HB HA 0.090000 1.0080 0 1274 C1 106 VAL CG1 CT3 -0.270000 12.0110 0 1275 C1 106 VAL HG11 HA 0.090000 1.0080 0 1276 C1 106 VAL HG12 HA 0.090000 1.0080 0 1277 C1 106 VAL HG13 HA 0.090000 1.0080 0 1278 C1 106 VAL CG2 CT3 -0.270000 12.0110 0 1279 C1 106 VAL HG21 HA 0.090000 1.0080 0 1280 C1 106 VAL HG22 HA 0.090000 1.0080 0 1281 C1 106 VAL HG23 HA 0.090000 1.0080 0 1282 C1 106 VAL C C 0.510000 12.0110 0 1283 C1 106 VAL O O -0.510000 15.9990 0 1284 C1 107 THR N NH1 -0.470000 14.0070 0 1285 C1 107 THR HN H 0.310000 1.0080 0 1286 C1 107 THR CA CT1 0.070000 12.0110 0 1287 C1 107 THR HA HB 0.090000 1.0080 0 1288 C1 107 THR CB CT1 0.140000 12.0110 0 1289 C1 107 THR HB HA 0.090000 1.0080 0 1290 C1 107 THR OG1 OH1 -0.660000 15.9990 0 1291 C1 107 THR HG1 H 0.430000 1.0080 0 1292 C1 107 THR CG2 CT3 -0.270000 12.0110 0 1293 C1 107 THR HG21 HA 0.090000 1.0080 0 1294 C1 107 THR HG22 HA 0.090000 1.0080 0 1295 C1 107 THR HG23 HA 0.090000 1.0080 0 1296 C1 107 THR C C 0.510000 12.0110 0 1297 C1 107 THR O O -0.510000 15.9990 0 1298 C1 108 ALA N NH1 -0.470000 14.0070 0 1299 C1 108 ALA HN H 0.310000 1.0080 0 1300 C1 108 ALA CA CT1 0.070000 12.0110 0 1301 C1 108 ALA HA HB 0.090000 1.0080 0 1302 C1 108 ALA CB CT3 -0.270000 12.0110 0 1303 C1 108 ALA HB1 HA 0.090000 1.0080 0 1304 C1 108 ALA HB2 HA 0.090000 1.0080 0 1305 C1 108 ALA HB3 HA 0.090000 1.0080 0 1306 C1 108 ALA C C 0.510000 12.0110 0 1307 C1 108 ALA O O -0.510000 15.9990 0 1308 C1 109 ALA N NH1 -0.470000 14.0070 0 1309 C1 109 ALA HN H 0.310000 1.0080 0 1310 C1 109 ALA CA CT1 0.070000 12.0110 0 1311 C1 109 ALA HA HB 0.090000 1.0080 0 1312 C1 109 ALA CB CT3 -0.270000 12.0110 0 1313 C1 109 ALA HB1 HA 0.090000 1.0080 0 1314 C1 109 ALA HB2 HA 0.090000 1.0080 0 1315 C1 109 ALA HB3 HA 0.090000 1.0080 0 1316 C1 109 ALA C C 0.510000 12.0110 0 1317 C1 109 ALA O O -0.510000 15.9990 0 1318 C1 110 LEU N NH1 -0.470000 14.0070 0 1319 C1 110 LEU HN H 0.310000 1.0080 0 1320 C1 110 LEU CA CT1 0.070000 12.0110 0 1321 C1 110 LEU HA HB 0.090000 1.0080 0 1322 C1 110 LEU CB CT2 -0.180000 12.0110 0 1323 C1 110 LEU HB1 HA 0.090000 1.0080 0 1324 C1 110 LEU HB2 HA 0.090000 1.0080 0 1325 C1 110 LEU CG CT1 -0.090000 12.0110 0 1326 C1 110 LEU HG HA 0.090000 1.0080 0 1327 C1 110 LEU CD1 CT3 -0.270000 12.0110 0 1328 C1 110 LEU HD11 HA 0.090000 1.0080 0 1329 C1 110 LEU HD12 HA 0.090000 1.0080 0 1330 C1 110 LEU HD13 HA 0.090000 1.0080 0 1331 C1 110 LEU CD2 CT3 -0.270000 12.0110 0 1332 C1 110 LEU HD21 HA 0.090000 1.0080 0 1333 C1 110 LEU HD22 HA 0.090000 1.0080 0 1334 C1 110 LEU HD23 HA 0.090000 1.0080 0 1335 C1 110 LEU C C 0.510000 12.0110 0 1336 C1 110 LEU O O -0.510000 15.9990 0 1337 C1 111 ALA N NH1 -0.470000 14.0070 0 1338 C1 111 ALA HN H 0.310000 1.0080 0 1339 C1 111 ALA CA CT1 0.070000 12.0110 0 1340 C1 111 ALA HA HB 0.090000 1.0080 0 1341 C1 111 ALA CB CT3 -0.270000 12.0110 0 1342 C1 111 ALA HB1 HA 0.090000 1.0080 0 1343 C1 111 ALA HB2 HA 0.090000 1.0080 0 1344 C1 111 ALA HB3 HA 0.090000 1.0080 0 1345 C1 111 ALA C C 0.510000 12.0110 0 1346 C1 111 ALA O O -0.510000 15.9990 0 1347 C1 112 THR N NH1 -0.470000 14.0070 0 1348 C1 112 THR HN H 0.310000 1.0080 0 1349 C1 112 THR CA CT1 0.070000 12.0110 0 1350 C1 112 THR HA HB 0.090000 1.0080 0 1351 C1 112 THR CB CT1 0.140000 12.0110 0 1352 C1 112 THR HB HA 0.090000 1.0080 0 1353 C1 112 THR OG1 OH1 -0.660000 15.9990 0 1354 C1 112 THR HG1 H 0.430000 1.0080 0 1355 C1 112 THR CG2 CT3 -0.270000 12.0110 0 1356 C1 112 THR HG21 HA 0.090000 1.0080 0 1357 C1 112 THR HG22 HA 0.090000 1.0080 0 1358 C1 112 THR HG23 HA 0.090000 1.0080 0 1359 C1 112 THR C C 0.510000 12.0110 0 1360 C1 112 THR O O -0.510000 15.9990 0 1361 C1 113 TRP N NH1 -0.470000 14.0070 0 1362 C1 113 TRP HN H 0.310000 1.0080 0 1363 C1 113 TRP CA CT1 0.070000 12.0110 0 1364 C1 113 TRP HA HB 0.090000 1.0080 0 1365 C1 113 TRP CB CT2 -0.180000 12.0110 0 1366 C1 113 TRP HB1 HA 0.090000 1.0080 0 1367 C1 113 TRP HB2 HA 0.090000 1.0080 0 1368 C1 113 TRP CG CY -0.030000 12.0110 0 1369 C1 113 TRP CD1 CA 0.035000 12.0110 0 1370 C1 113 TRP HD1 HP 0.115000 1.0080 0 1371 C1 113 TRP NE1 NY -0.610000 14.0070 0 1372 C1 113 TRP HE1 H 0.380000 1.0080 0 1373 C1 113 TRP CE2 CPT 0.130000 12.0110 0 1374 C1 113 TRP CD2 CPT -0.020000 12.0110 0 1375 C1 113 TRP CE3 CA -0.115000 12.0110 0 1376 C1 113 TRP HE3 HP 0.115000 1.0080 0 1377 C1 113 TRP CZ3 CA -0.115000 12.0110 0 1378 C1 113 TRP HZ3 HP 0.115000 1.0080 0 1379 C1 113 TRP CZ2 CA -0.115000 12.0110 0 1380 C1 113 TRP HZ2 HP 0.115000 1.0080 0 1381 C1 113 TRP CH2 CA -0.115000 12.0110 0 1382 C1 113 TRP HH2 HP 0.115000 1.0080 0 1383 C1 113 TRP C C 0.510000 12.0110 0 1384 C1 113 TRP O O -0.510000 15.9990 0 1385 C1 114 PHE N NH1 -0.470000 14.0070 0 1386 C1 114 PHE HN H 0.310000 1.0080 0 1387 C1 114 PHE CA CT1 0.070000 12.0110 0 1388 C1 114 PHE HA HB 0.090000 1.0080 0 1389 C1 114 PHE CB CT2 -0.180000 12.0110 0 1390 C1 114 PHE HB1 HA 0.090000 1.0080 0 1391 C1 114 PHE HB2 HA 0.090000 1.0080 0 1392 C1 114 PHE CG CA 0.000000 12.0110 0 1393 C1 114 PHE CD1 CA -0.115000 12.0110 0 1394 C1 114 PHE HD1 HP 0.115000 1.0080 0 1395 C1 114 PHE CE1 CA -0.115000 12.0110 0 1396 C1 114 PHE HE1 HP 0.115000 1.0080 0 1397 C1 114 PHE CZ CA -0.115000 12.0110 0 1398 C1 114 PHE HZ HP 0.115000 1.0080 0 1399 C1 114 PHE CD2 CA -0.115000 12.0110 0 1400 C1 114 PHE HD2 HP 0.115000 1.0080 0 1401 C1 114 PHE CE2 CA -0.115000 12.0110 0 1402 C1 114 PHE HE2 HP 0.115000 1.0080 0 1403 C1 114 PHE C C 0.510000 12.0110 0 1404 C1 114 PHE O O -0.510000 15.9990 0 1405 C1 115 VAL N NH1 -0.470000 14.0070 0 1406 C1 115 VAL HN H 0.310000 1.0080 0 1407 C1 115 VAL CA CT1 0.070000 12.0110 0 1408 C1 115 VAL HA HB 0.090000 1.0080 0 1409 C1 115 VAL CB CT1 -0.090000 12.0110 0 1410 C1 115 VAL HB HA 0.090000 1.0080 0 1411 C1 115 VAL CG1 CT3 -0.270000 12.0110 0 1412 C1 115 VAL HG11 HA 0.090000 1.0080 0 1413 C1 115 VAL HG12 HA 0.090000 1.0080 0 1414 C1 115 VAL HG13 HA 0.090000 1.0080 0 1415 C1 115 VAL CG2 CT3 -0.270000 12.0110 0 1416 C1 115 VAL HG21 HA 0.090000 1.0080 0 1417 C1 115 VAL HG22 HA 0.090000 1.0080 0 1418 C1 115 VAL HG23 HA 0.090000 1.0080 0 1419 C1 115 VAL C C 0.510000 12.0110 0 1420 C1 115 VAL O O -0.510000 15.9990 0 1421 C1 116 GLY N NH1 -0.470000 14.0070 0 1422 C1 116 GLY HN H 0.310000 1.0080 0 1423 C1 116 GLY CA CT2 -0.020000 12.0110 0 1424 C1 116 GLY HA1 HB 0.090000 1.0080 0 1425 C1 116 GLY HA2 HB 0.090000 1.0080 0 1426 C1 116 GLY C C 0.510000 12.0110 0 1427 C1 116 GLY O O -0.510000 15.9990 0 1428 C1 117 ARG N NH1 -0.470000 14.0070 0 1429 C1 117 ARG HN H 0.310000 1.0080 0 1430 C1 117 ARG CA CT1 0.070000 12.0110 0 1431 C1 117 ARG HA HB 0.090000 1.0080 0 1432 C1 117 ARG CB CT2 -0.180000 12.0110 0 1433 C1 117 ARG HB1 HA 0.090000 1.0080 0 1434 C1 117 ARG HB2 HA 0.090000 1.0080 0 1435 C1 117 ARG CG CT2 -0.180000 12.0110 0 1436 C1 117 ARG HG1 HA 0.090000 1.0080 0 1437 C1 117 ARG HG2 HA 0.090000 1.0080 0 1438 C1 117 ARG CD CT2 0.200000 12.0110 0 1439 C1 117 ARG HD1 HA 0.090000 1.0080 0 1440 C1 117 ARG HD2 HA 0.090000 1.0080 0 1441 C1 117 ARG NE NC2 -0.700000 14.0070 0 1442 C1 117 ARG HE HC 0.440000 1.0080 0 1443 C1 117 ARG CZ C 0.640000 12.0110 0 1444 C1 117 ARG NH1 NC2 -0.800000 14.0070 0 1445 C1 117 ARG HH11 HC 0.460000 1.0080 0 1446 C1 117 ARG HH12 HC 0.460000 1.0080 0 1447 C1 117 ARG NH2 NC2 -0.800000 14.0070 0 1448 C1 117 ARG HH21 HC 0.460000 1.0080 0 1449 C1 117 ARG HH22 HC 0.460000 1.0080 0 1450 C1 117 ARG C C 0.510000 12.0110 0 1451 C1 117 ARG O O -0.510000 15.9990 0 1452 C1 118 GLU N NH1 -0.470000 14.0070 0 1453 C1 118 GLU HN H 0.310000 1.0080 0 1454 C1 118 GLU CA CT1 0.070000 12.0110 0 1455 C1 118 GLU HA HB 0.090000 1.0080 0 1456 C1 118 GLU CB CT2 -0.180000 12.0110 0 1457 C1 118 GLU HB1 HA 0.090000 1.0080 0 1458 C1 118 GLU HB2 HA 0.090000 1.0080 0 1459 C1 118 GLU CG CT2 -0.280000 12.0110 0 1460 C1 118 GLU HG1 HA 0.090000 1.0080 0 1461 C1 118 GLU HG2 HA 0.090000 1.0080 0 1462 C1 118 GLU CD CC 0.620000 12.0110 0 1463 C1 118 GLU OE1 OC -0.760000 15.9990 0 1464 C1 118 GLU OE2 OC -0.760000 15.9990 0 1465 C1 118 GLU C C 0.510000 12.0110 0 1466 C1 118 GLU O O -0.510000 15.9990 0 1467 C1 119 GLN N NH1 -0.470000 14.0070 0 1468 C1 119 GLN HN H 0.310000 1.0080 0 1469 C1 119 GLN CA CT1 0.070000 12.0110 0 1470 C1 119 GLN HA HB 0.090000 1.0080 0 1471 C1 119 GLN CB CT2 -0.180000 12.0110 0 1472 C1 119 GLN HB1 HA 0.090000 1.0080 0 1473 C1 119 GLN HB2 HA 0.090000 1.0080 0 1474 C1 119 GLN CG CT2 -0.180000 12.0110 0 1475 C1 119 GLN HG1 HA 0.090000 1.0080 0 1476 C1 119 GLN HG2 HA 0.090000 1.0080 0 1477 C1 119 GLN CD CC 0.550000 12.0110 0 1478 C1 119 GLN OE1 O -0.550000 15.9990 0 1479 C1 119 GLN NE2 NH2 -0.620000 14.0070 0 1480 C1 119 GLN HE21 H 0.320000 1.0080 0 1481 C1 119 GLN HE22 H 0.300000 1.0080 0 1482 C1 119 GLN C C 0.510000 12.0110 0 1483 C1 119 GLN O O -0.510000 15.9990 0 1484 C1 120 GLU N NH1 -0.470000 14.0070 0 1485 C1 120 GLU HN H 0.310000 1.0080 0 1486 C1 120 GLU CA CT1 0.070000 12.0110 0 1487 C1 120 GLU HA HB 0.090000 1.0080 0 1488 C1 120 GLU CB CT2 -0.180000 12.0110 0 1489 C1 120 GLU HB1 HA 0.090000 1.0080 0 1490 C1 120 GLU HB2 HA 0.090000 1.0080 0 1491 C1 120 GLU CG CT2 -0.280000 12.0110 0 1492 C1 120 GLU HG1 HA 0.090000 1.0080 0 1493 C1 120 GLU HG2 HA 0.090000 1.0080 0 1494 C1 120 GLU CD CC 0.620000 12.0110 0 1495 C1 120 GLU OE1 OC -0.760000 15.9990 0 1496 C1 120 GLU OE2 OC -0.760000 15.9990 0 1497 C1 120 GLU C C 0.510000 12.0110 0 1498 C1 120 GLU O O -0.510000 15.9990 0 1499 C1 121 ARG N NH1 -0.470000 14.0070 0 1500 C1 121 ARG HN H 0.310000 1.0080 0 1501 C1 121 ARG CA CT1 0.070000 12.0110 0 1502 C1 121 ARG HA HB 0.090000 1.0080 0 1503 C1 121 ARG CB CT2 -0.180000 12.0110 0 1504 C1 121 ARG HB1 HA 0.090000 1.0080 0 1505 C1 121 ARG HB2 HA 0.090000 1.0080 0 1506 C1 121 ARG CG CT2 -0.180000 12.0110 0 1507 C1 121 ARG HG1 HA 0.090000 1.0080 0 1508 C1 121 ARG HG2 HA 0.090000 1.0080 0 1509 C1 121 ARG CD CT2 0.200000 12.0110 0 1510 C1 121 ARG HD1 HA 0.090000 1.0080 0 1511 C1 121 ARG HD2 HA 0.090000 1.0080 0 1512 C1 121 ARG NE NC2 -0.700000 14.0070 0 1513 C1 121 ARG HE HC 0.440000 1.0080 0 1514 C1 121 ARG CZ C 0.640000 12.0110 0 1515 C1 121 ARG NH1 NC2 -0.800000 14.0070 0 1516 C1 121 ARG HH11 HC 0.460000 1.0080 0 1517 C1 121 ARG HH12 HC 0.460000 1.0080 0 1518 C1 121 ARG NH2 NC2 -0.800000 14.0070 0 1519 C1 121 ARG HH21 HC 0.460000 1.0080 0 1520 C1 121 ARG HH22 HC 0.460000 1.0080 0 1521 C1 121 ARG C C 0.510000 12.0110 0 1522 C1 121 ARG O O -0.510000 15.9990 0 1523 C1 122 ARG N NH1 -0.470000 14.0070 0 1524 C1 122 ARG HN H 0.310000 1.0080 0 1525 C1 122 ARG CA CT1 0.070000 12.0110 0 1526 C1 122 ARG HA HB 0.090000 1.0080 0 1527 C1 122 ARG CB CT2 -0.180000 12.0110 0 1528 C1 122 ARG HB1 HA 0.090000 1.0080 0 1529 C1 122 ARG HB2 HA 0.090000 1.0080 0 1530 C1 122 ARG CG CT2 -0.180000 12.0110 0 1531 C1 122 ARG HG1 HA 0.090000 1.0080 0 1532 C1 122 ARG HG2 HA 0.090000 1.0080 0 1533 C1 122 ARG CD CT2 0.200000 12.0110 0 1534 C1 122 ARG HD1 HA 0.090000 1.0080 0 1535 C1 122 ARG HD2 HA 0.090000 1.0080 0 1536 C1 122 ARG NE NC2 -0.700000 14.0070 0 1537 C1 122 ARG HE HC 0.440000 1.0080 0 1538 C1 122 ARG CZ C 0.640000 12.0110 0 1539 C1 122 ARG NH1 NC2 -0.800000 14.0070 0 1540 C1 122 ARG HH11 HC 0.460000 1.0080 0 1541 C1 122 ARG HH12 HC 0.460000 1.0080 0 1542 C1 122 ARG NH2 NC2 -0.800000 14.0070 0 1543 C1 122 ARG HH21 HC 0.460000 1.0080 0 1544 C1 122 ARG HH22 HC 0.460000 1.0080 0 1545 C1 122 ARG C C 0.510000 12.0110 0 1546 C1 122 ARG O O -0.510000 15.9990 0 1547 C1 123 GLY N NH1 -0.470000 14.0070 0 1548 C1 123 GLY HN H 0.310000 1.0080 0 1549 C1 123 GLY CA CT2 -0.020000 12.0110 0 1550 C1 123 GLY HA1 HB 0.090000 1.0080 0 1551 C1 123 GLY HA2 HB 0.090000 1.0080 0 1552 C1 123 GLY C C 0.510000 12.0110 0 1553 C1 123 GLY O O -0.510000 15.9990 0 1554 C1 124 HSE C CC 0.340000 12.0110 0 1555 C1 124 HSE OT1 OC -0.670000 15.9990 0 1556 C1 124 HSE OT2 OC -0.670000 15.9990 0 1557 C1 124 HSE N NH1 -0.470000 14.0070 0 1558 C1 124 HSE HN H 0.310000 1.0080 0 1559 C1 124 HSE CA CT1 0.070000 12.0110 0 1560 C1 124 HSE HA HB 0.090000 1.0080 0 1561 C1 124 HSE CB CT2 -0.080000 12.0110 0 1562 C1 124 HSE HB1 HA 0.090000 1.0080 0 1563 C1 124 HSE HB2 HA 0.090000 1.0080 0 1564 C1 124 HSE ND1 NR2 -0.700000 14.0070 0 1565 C1 124 HSE CG CPH1 0.220000 12.0110 0 1566 C1 124 HSE CE1 CPH2 0.250000 12.0110 0 1567 C1 124 HSE HE1 HR1 0.130000 1.0080 0 1568 C1 124 HSE NE2 NR1 -0.360000 14.0070 0 1569 C1 124 HSE HE2 H 0.320000 1.0080 0 1570 C1 124 HSE CD2 CPH1 -0.050000 12.0110 0 1571 C1 124 HSE HD2 HR3 0.090000 1.0080 0 1572 W1 1 TIP3 OH2 OT -0.834000 15.9994 0 1573 W1 1 TIP3 H1 HT 0.417000 1.0080 0 1574 W1 1 TIP3 H2 HT 0.417000 1.0080 0 1575 W1 2 TIP3 OH2 OT -0.834000 15.9994 0 1576 W1 2 TIP3 H1 HT 0.417000 1.0080 0 1577 W1 2 TIP3 H2 HT 0.417000 1.0080 0 1578 W1 4 TIP3 OH2 OT -0.834000 15.9994 0 1579 W1 4 TIP3 H1 HT 0.417000 1.0080 0 1580 W1 4 TIP3 H2 HT 0.417000 1.0080 0 1581 W1 9 TIP3 OH2 OT -0.834000 15.9994 0 1582 W1 9 TIP3 H1 HT 0.417000 1.0080 0 1583 W1 9 TIP3 H2 HT 0.417000 1.0080 0 1584 C2 22 SER N NH3 -0.300000 14.0070 0 1585 C2 22 SER HT1 HC 0.330000 1.0080 0 1586 C2 22 SER HT2 HC 0.330000 1.0080 0 1587 C2 22 SER HT3 HC 0.330000 1.0080 0 1588 C2 22 SER CA CT1 0.210000 12.0110 0 1589 C2 22 SER HA HB 0.100000 1.0080 0 1590 C2 22 SER CB CT2 0.050000 12.0110 0 1591 C2 22 SER HB1 HA 0.090000 1.0080 0 1592 C2 22 SER HB2 HA 0.090000 1.0080 0 1593 C2 22 SER OG OH1 -0.660000 15.9990 0 1594 C2 22 SER HG1 H 0.430000 1.0080 0 1595 C2 22 SER C C 0.510000 12.0110 0 1596 C2 22 SER O O -0.510000 15.9990 0 1597 C2 23 ALA N NH1 -0.470000 14.0070 0 1598 C2 23 ALA HN H 0.310000 1.0080 0 1599 C2 23 ALA CA CT1 0.070000 12.0110 0 1600 C2 23 ALA HA HB 0.090000 1.0080 0 1601 C2 23 ALA CB CT3 -0.270000 12.0110 0 1602 C2 23 ALA HB1 HA 0.090000 1.0080 0 1603 C2 23 ALA HB2 HA 0.090000 1.0080 0 1604 C2 23 ALA HB3 HA 0.090000 1.0080 0 1605 C2 23 ALA C C 0.510000 12.0110 0 1606 C2 23 ALA O O -0.510000 15.9990 0 1607 C2 24 LEU N NH1 -0.470000 14.0070 0 1608 C2 24 LEU HN H 0.310000 1.0080 0 1609 C2 24 LEU CA CT1 0.070000 12.0110 0 1610 C2 24 LEU HA HB 0.090000 1.0080 0 1611 C2 24 LEU CB CT2 -0.180000 12.0110 0 1612 C2 24 LEU HB1 HA 0.090000 1.0080 0 1613 C2 24 LEU HB2 HA 0.090000 1.0080 0 1614 C2 24 LEU CG CT1 -0.090000 12.0110 0 1615 C2 24 LEU HG HA 0.090000 1.0080 0 1616 C2 24 LEU CD1 CT3 -0.270000 12.0110 0 1617 C2 24 LEU HD11 HA 0.090000 1.0080 0 1618 C2 24 LEU HD12 HA 0.090000 1.0080 0 1619 C2 24 LEU HD13 HA 0.090000 1.0080 0 1620 C2 24 LEU CD2 CT3 -0.270000 12.0110 0 1621 C2 24 LEU HD21 HA 0.090000 1.0080 0 1622 C2 24 LEU HD22 HA 0.090000 1.0080 0 1623 C2 24 LEU HD23 HA 0.090000 1.0080 0 1624 C2 24 LEU C C 0.510000 12.0110 0 1625 C2 24 LEU O O -0.510000 15.9990 0 1626 C2 25 HSE N NH1 -0.470000 14.0070 0 1627 C2 25 HSE HN H 0.310000 1.0080 0 1628 C2 25 HSE CA CT1 0.070000 12.0110 0 1629 C2 25 HSE HA HB 0.090000 1.0080 0 1630 C2 25 HSE CB CT2 -0.080000 12.0110 0 1631 C2 25 HSE HB1 HA 0.090000 1.0080 0 1632 C2 25 HSE HB2 HA 0.090000 1.0080 0 1633 C2 25 HSE ND1 NR2 -0.700000 14.0070 0 1634 C2 25 HSE CG CPH1 0.220000 12.0110 0 1635 C2 25 HSE CE1 CPH2 0.250000 12.0110 0 1636 C2 25 HSE HE1 HR1 0.130000 1.0080 0 1637 C2 25 HSE NE2 NR1 -0.360000 14.0070 0 1638 C2 25 HSE HE2 H 0.320000 1.0080 0 1639 C2 25 HSE CD2 CPH1 -0.050000 12.0110 0 1640 C2 25 HSE HD2 HR3 0.090000 1.0080 0 1641 C2 25 HSE C C 0.510000 12.0110 0 1642 C2 25 HSE O O -0.510000 15.9990 0 1643 C2 26 TRP N NH1 -0.470000 14.0070 0 1644 C2 26 TRP HN H 0.310000 1.0080 0 1645 C2 26 TRP CA CT1 0.070000 12.0110 0 1646 C2 26 TRP HA HB 0.090000 1.0080 0 1647 C2 26 TRP CB CT2 -0.180000 12.0110 0 1648 C2 26 TRP HB1 HA 0.090000 1.0080 0 1649 C2 26 TRP HB2 HA 0.090000 1.0080 0 1650 C2 26 TRP CG CY -0.030000 12.0110 0 1651 C2 26 TRP CD1 CA 0.035000 12.0110 0 1652 C2 26 TRP HD1 HP 0.115000 1.0080 0 1653 C2 26 TRP NE1 NY -0.610000 14.0070 0 1654 C2 26 TRP HE1 H 0.380000 1.0080 0 1655 C2 26 TRP CE2 CPT 0.130000 12.0110 0 1656 C2 26 TRP CD2 CPT -0.020000 12.0110 0 1657 C2 26 TRP CE3 CA -0.115000 12.0110 0 1658 C2 26 TRP HE3 HP 0.115000 1.0080 0 1659 C2 26 TRP CZ3 CA -0.115000 12.0110 0 1660 C2 26 TRP HZ3 HP 0.115000 1.0080 0 1661 C2 26 TRP CZ2 CA -0.115000 12.0110 0 1662 C2 26 TRP HZ2 HP 0.115000 1.0080 0 1663 C2 26 TRP CH2 CA -0.115000 12.0110 0 1664 C2 26 TRP HH2 HP 0.115000 1.0080 0 1665 C2 26 TRP C C 0.510000 12.0110 0 1666 C2 26 TRP O O -0.510000 15.9990 0 1667 C2 27 ARG N NH1 -0.470000 14.0070 0 1668 C2 27 ARG HN H 0.310000 1.0080 0 1669 C2 27 ARG CA CT1 0.070000 12.0110 0 1670 C2 27 ARG HA HB 0.090000 1.0080 0 1671 C2 27 ARG CB CT2 -0.180000 12.0110 0 1672 C2 27 ARG HB1 HA 0.090000 1.0080 0 1673 C2 27 ARG HB2 HA 0.090000 1.0080 0 1674 C2 27 ARG CG CT2 -0.180000 12.0110 0 1675 C2 27 ARG HG1 HA 0.090000 1.0080 0 1676 C2 27 ARG HG2 HA 0.090000 1.0080 0 1677 C2 27 ARG CD CT2 0.200000 12.0110 0 1678 C2 27 ARG HD1 HA 0.090000 1.0080 0 1679 C2 27 ARG HD2 HA 0.090000 1.0080 0 1680 C2 27 ARG NE NC2 -0.700000 14.0070 0 1681 C2 27 ARG HE HC 0.440000 1.0080 0 1682 C2 27 ARG CZ C 0.640000 12.0110 0 1683 C2 27 ARG NH1 NC2 -0.800000 14.0070 0 1684 C2 27 ARG HH11 HC 0.460000 1.0080 0 1685 C2 27 ARG HH12 HC 0.460000 1.0080 0 1686 C2 27 ARG NH2 NC2 -0.800000 14.0070 0 1687 C2 27 ARG HH21 HC 0.460000 1.0080 0 1688 C2 27 ARG HH22 HC 0.460000 1.0080 0 1689 C2 27 ARG C C 0.510000 12.0110 0 1690 C2 27 ARG O O -0.510000 15.9990 0 1691 C2 28 ALA N NH1 -0.470000 14.0070 0 1692 C2 28 ALA HN H 0.310000 1.0080 0 1693 C2 28 ALA CA CT1 0.070000 12.0110 0 1694 C2 28 ALA HA HB 0.090000 1.0080 0 1695 C2 28 ALA CB CT3 -0.270000 12.0110 0 1696 C2 28 ALA HB1 HA 0.090000 1.0080 0 1697 C2 28 ALA HB2 HA 0.090000 1.0080 0 1698 C2 28 ALA HB3 HA 0.090000 1.0080 0 1699 C2 28 ALA C C 0.510000 12.0110 0 1700 C2 28 ALA O O -0.510000 15.9990 0 1701 C2 29 ALA N NH1 -0.470000 14.0070 0 1702 C2 29 ALA HN H 0.310000 1.0080 0 1703 C2 29 ALA CA CT1 0.070000 12.0110 0 1704 C2 29 ALA HA HB 0.090000 1.0080 0 1705 C2 29 ALA CB CT3 -0.270000 12.0110 0 1706 C2 29 ALA HB1 HA 0.090000 1.0080 0 1707 C2 29 ALA HB2 HA 0.090000 1.0080 0 1708 C2 29 ALA HB3 HA 0.090000 1.0080 0 1709 C2 29 ALA C C 0.510000 12.0110 0 1710 C2 29 ALA O O -0.510000 15.9990 0 1711 C2 30 GLY N NH1 -0.470000 14.0070 0 1712 C2 30 GLY HN H 0.310000 1.0080 0 1713 C2 30 GLY CA CT2 -0.020000 12.0110 0 1714 C2 30 GLY HA1 HB 0.090000 1.0080 0 1715 C2 30 GLY HA2 HB 0.090000 1.0080 0 1716 C2 30 GLY C C 0.510000 12.0110 0 1717 C2 30 GLY O O -0.510000 15.9990 0 1718 C2 31 ALA N NH1 -0.470000 14.0070 0 1719 C2 31 ALA HN H 0.310000 1.0080 0 1720 C2 31 ALA CA CT1 0.070000 12.0110 0 1721 C2 31 ALA HA HB 0.090000 1.0080 0 1722 C2 31 ALA CB CT3 -0.270000 12.0110 0 1723 C2 31 ALA HB1 HA 0.090000 1.0080 0 1724 C2 31 ALA HB2 HA 0.090000 1.0080 0 1725 C2 31 ALA HB3 HA 0.090000 1.0080 0 1726 C2 31 ALA C C 0.510000 12.0110 0 1727 C2 31 ALA O O -0.510000 15.9990 0 1728 C2 32 ALA N NH1 -0.470000 14.0070 0 1729 C2 32 ALA HN H 0.310000 1.0080 0 1730 C2 32 ALA CA CT1 0.070000 12.0110 0 1731 C2 32 ALA HA HB 0.090000 1.0080 0 1732 C2 32 ALA CB CT3 -0.270000 12.0110 0 1733 C2 32 ALA HB1 HA 0.090000 1.0080 0 1734 C2 32 ALA HB2 HA 0.090000 1.0080 0 1735 C2 32 ALA HB3 HA 0.090000 1.0080 0 1736 C2 32 ALA C C 0.510000 12.0110 0 1737 C2 32 ALA O O -0.510000 15.9990 0 1738 C2 33 THR N NH1 -0.470000 14.0070 0 1739 C2 33 THR HN H 0.310000 1.0080 0 1740 C2 33 THR CA CT1 0.070000 12.0110 0 1741 C2 33 THR HA HB 0.090000 1.0080 0 1742 C2 33 THR CB CT1 0.140000 12.0110 0 1743 C2 33 THR HB HA 0.090000 1.0080 0 1744 C2 33 THR OG1 OH1 -0.660000 15.9990 0 1745 C2 33 THR HG1 H 0.430000 1.0080 0 1746 C2 33 THR CG2 CT3 -0.270000 12.0110 0 1747 C2 33 THR HG21 HA 0.090000 1.0080 0 1748 C2 33 THR HG22 HA 0.090000 1.0080 0 1749 C2 33 THR HG23 HA 0.090000 1.0080 0 1750 C2 33 THR C C 0.510000 12.0110 0 1751 C2 33 THR O O -0.510000 15.9990 0 1752 C2 34 VAL N NH1 -0.470000 14.0070 0 1753 C2 34 VAL HN H 0.310000 1.0080 0 1754 C2 34 VAL CA CT1 0.070000 12.0110 0 1755 C2 34 VAL HA HB 0.090000 1.0080 0 1756 C2 34 VAL CB CT1 -0.090000 12.0110 0 1757 C2 34 VAL HB HA 0.090000 1.0080 0 1758 C2 34 VAL CG1 CT3 -0.270000 12.0110 0 1759 C2 34 VAL HG11 HA 0.090000 1.0080 0 1760 C2 34 VAL HG12 HA 0.090000 1.0080 0 1761 C2 34 VAL HG13 HA 0.090000 1.0080 0 1762 C2 34 VAL CG2 CT3 -0.270000 12.0110 0 1763 C2 34 VAL HG21 HA 0.090000 1.0080 0 1764 C2 34 VAL HG22 HA 0.090000 1.0080 0 1765 C2 34 VAL HG23 HA 0.090000 1.0080 0 1766 C2 34 VAL C C 0.510000 12.0110 0 1767 C2 34 VAL O O -0.510000 15.9990 0 1768 C2 35 LEU N NH1 -0.470000 14.0070 0 1769 C2 35 LEU HN H 0.310000 1.0080 0 1770 C2 35 LEU CA CT1 0.070000 12.0110 0 1771 C2 35 LEU HA HB 0.090000 1.0080 0 1772 C2 35 LEU CB CT2 -0.180000 12.0110 0 1773 C2 35 LEU HB1 HA 0.090000 1.0080 0 1774 C2 35 LEU HB2 HA 0.090000 1.0080 0 1775 C2 35 LEU CG CT1 -0.090000 12.0110 0 1776 C2 35 LEU HG HA 0.090000 1.0080 0 1777 C2 35 LEU CD1 CT3 -0.270000 12.0110 0 1778 C2 35 LEU HD11 HA 0.090000 1.0080 0 1779 C2 35 LEU HD12 HA 0.090000 1.0080 0 1780 C2 35 LEU HD13 HA 0.090000 1.0080 0 1781 C2 35 LEU CD2 CT3 -0.270000 12.0110 0 1782 C2 35 LEU HD21 HA 0.090000 1.0080 0 1783 C2 35 LEU HD22 HA 0.090000 1.0080 0 1784 C2 35 LEU HD23 HA 0.090000 1.0080 0 1785 C2 35 LEU C C 0.510000 12.0110 0 1786 C2 35 LEU O O -0.510000 15.9990 0 1787 C2 36 LEU N NH1 -0.470000 14.0070 0 1788 C2 36 LEU HN H 0.310000 1.0080 0 1789 C2 36 LEU CA CT1 0.070000 12.0110 0 1790 C2 36 LEU HA HB 0.090000 1.0080 0 1791 C2 36 LEU CB CT2 -0.180000 12.0110 0 1792 C2 36 LEU HB1 HA 0.090000 1.0080 0 1793 C2 36 LEU HB2 HA 0.090000 1.0080 0 1794 C2 36 LEU CG CT1 -0.090000 12.0110 0 1795 C2 36 LEU HG HA 0.090000 1.0080 0 1796 C2 36 LEU CD1 CT3 -0.270000 12.0110 0 1797 C2 36 LEU HD11 HA 0.090000 1.0080 0 1798 C2 36 LEU HD12 HA 0.090000 1.0080 0 1799 C2 36 LEU HD13 HA 0.090000 1.0080 0 1800 C2 36 LEU CD2 CT3 -0.270000 12.0110 0 1801 C2 36 LEU HD21 HA 0.090000 1.0080 0 1802 C2 36 LEU HD22 HA 0.090000 1.0080 0 1803 C2 36 LEU HD23 HA 0.090000 1.0080 0 1804 C2 36 LEU C C 0.510000 12.0110 0 1805 C2 36 LEU O O -0.510000 15.9990 0 1806 C2 37 VAL N NH1 -0.470000 14.0070 0 1807 C2 37 VAL HN H 0.310000 1.0080 0 1808 C2 37 VAL CA CT1 0.070000 12.0110 0 1809 C2 37 VAL HA HB 0.090000 1.0080 0 1810 C2 37 VAL CB CT1 -0.090000 12.0110 0 1811 C2 37 VAL HB HA 0.090000 1.0080 0 1812 C2 37 VAL CG1 CT3 -0.270000 12.0110 0 1813 C2 37 VAL HG11 HA 0.090000 1.0080 0 1814 C2 37 VAL HG12 HA 0.090000 1.0080 0 1815 C2 37 VAL HG13 HA 0.090000 1.0080 0 1816 C2 37 VAL CG2 CT3 -0.270000 12.0110 0 1817 C2 37 VAL HG21 HA 0.090000 1.0080 0 1818 C2 37 VAL HG22 HA 0.090000 1.0080 0 1819 C2 37 VAL HG23 HA 0.090000 1.0080 0 1820 C2 37 VAL C C 0.510000 12.0110 0 1821 C2 37 VAL O O -0.510000 15.9990 0 1822 C2 38 ILE N NH1 -0.470000 14.0070 0 1823 C2 38 ILE HN H 0.310000 1.0080 0 1824 C2 38 ILE CA CT1 0.070000 12.0110 0 1825 C2 38 ILE HA HB 0.090000 1.0080 0 1826 C2 38 ILE CB CT1 -0.090000 12.0110 0 1827 C2 38 ILE HB HA 0.090000 1.0080 0 1828 C2 38 ILE CG2 CT3 -0.270000 12.0110 0 1829 C2 38 ILE HG21 HA 0.090000 1.0080 0 1830 C2 38 ILE HG22 HA 0.090000 1.0080 0 1831 C2 38 ILE HG23 HA 0.090000 1.0080 0 1832 C2 38 ILE CG1 CT2 -0.180000 12.0110 0 1833 C2 38 ILE HG11 HA 0.090000 1.0080 0 1834 C2 38 ILE HG12 HA 0.090000 1.0080 0 1835 C2 38 ILE CD CT3 -0.270000 12.0110 0 1836 C2 38 ILE HD1 HA 0.090000 1.0080 0 1837 C2 38 ILE HD2 HA 0.090000 1.0080 0 1838 C2 38 ILE HD3 HA 0.090000 1.0080 0 1839 C2 38 ILE C C 0.510000 12.0110 0 1840 C2 38 ILE O O -0.510000 15.9990 0 1841 C2 39 VAL N NH1 -0.470000 14.0070 0 1842 C2 39 VAL HN H 0.310000 1.0080 0 1843 C2 39 VAL CA CT1 0.070000 12.0110 0 1844 C2 39 VAL HA HB 0.090000 1.0080 0 1845 C2 39 VAL CB CT1 -0.090000 12.0110 0 1846 C2 39 VAL HB HA 0.090000 1.0080 0 1847 C2 39 VAL CG1 CT3 -0.270000 12.0110 0 1848 C2 39 VAL HG11 HA 0.090000 1.0080 0 1849 C2 39 VAL HG12 HA 0.090000 1.0080 0 1850 C2 39 VAL HG13 HA 0.090000 1.0080 0 1851 C2 39 VAL CG2 CT3 -0.270000 12.0110 0 1852 C2 39 VAL HG21 HA 0.090000 1.0080 0 1853 C2 39 VAL HG22 HA 0.090000 1.0080 0 1854 C2 39 VAL HG23 HA 0.090000 1.0080 0 1855 C2 39 VAL C C 0.510000 12.0110 0 1856 C2 39 VAL O O -0.510000 15.9990 0 1857 C2 40 LEU N NH1 -0.470000 14.0070 0 1858 C2 40 LEU HN H 0.310000 1.0080 0 1859 C2 40 LEU CA CT1 0.070000 12.0110 0 1860 C2 40 LEU HA HB 0.090000 1.0080 0 1861 C2 40 LEU CB CT2 -0.180000 12.0110 0 1862 C2 40 LEU HB1 HA 0.090000 1.0080 0 1863 C2 40 LEU HB2 HA 0.090000 1.0080 0 1864 C2 40 LEU CG CT1 -0.090000 12.0110 0 1865 C2 40 LEU HG HA 0.090000 1.0080 0 1866 C2 40 LEU CD1 CT3 -0.270000 12.0110 0 1867 C2 40 LEU HD11 HA 0.090000 1.0080 0 1868 C2 40 LEU HD12 HA 0.090000 1.0080 0 1869 C2 40 LEU HD13 HA 0.090000 1.0080 0 1870 C2 40 LEU CD2 CT3 -0.270000 12.0110 0 1871 C2 40 LEU HD21 HA 0.090000 1.0080 0 1872 C2 40 LEU HD22 HA 0.090000 1.0080 0 1873 C2 40 LEU HD23 HA 0.090000 1.0080 0 1874 C2 40 LEU C C 0.510000 12.0110 0 1875 C2 40 LEU O O -0.510000 15.9990 0 1876 C2 41 LEU N NH1 -0.470000 14.0070 0 1877 C2 41 LEU HN H 0.310000 1.0080 0 1878 C2 41 LEU CA CT1 0.070000 12.0110 0 1879 C2 41 LEU HA HB 0.090000 1.0080 0 1880 C2 41 LEU CB CT2 -0.180000 12.0110 0 1881 C2 41 LEU HB1 HA 0.090000 1.0080 0 1882 C2 41 LEU HB2 HA 0.090000 1.0080 0 1883 C2 41 LEU CG CT1 -0.090000 12.0110 0 1884 C2 41 LEU HG HA 0.090000 1.0080 0 1885 C2 41 LEU CD1 CT3 -0.270000 12.0110 0 1886 C2 41 LEU HD11 HA 0.090000 1.0080 0 1887 C2 41 LEU HD12 HA 0.090000 1.0080 0 1888 C2 41 LEU HD13 HA 0.090000 1.0080 0 1889 C2 41 LEU CD2 CT3 -0.270000 12.0110 0 1890 C2 41 LEU HD21 HA 0.090000 1.0080 0 1891 C2 41 LEU HD22 HA 0.090000 1.0080 0 1892 C2 41 LEU HD23 HA 0.090000 1.0080 0 1893 C2 41 LEU C C 0.510000 12.0110 0 1894 C2 41 LEU O O -0.510000 15.9990 0 1895 C2 42 ALA N NH1 -0.470000 14.0070 0 1896 C2 42 ALA HN H 0.310000 1.0080 0 1897 C2 42 ALA CA CT1 0.070000 12.0110 0 1898 C2 42 ALA HA HB 0.090000 1.0080 0 1899 C2 42 ALA CB CT3 -0.270000 12.0110 0 1900 C2 42 ALA HB1 HA 0.090000 1.0080 0 1901 C2 42 ALA HB2 HA 0.090000 1.0080 0 1902 C2 42 ALA HB3 HA 0.090000 1.0080 0 1903 C2 42 ALA C C 0.510000 12.0110 0 1904 C2 42 ALA O O -0.510000 15.9990 0 1905 C2 43 GLY N NH1 -0.470000 14.0070 0 1906 C2 43 GLY HN H 0.310000 1.0080 0 1907 C2 43 GLY CA CT2 -0.020000 12.0110 0 1908 C2 43 GLY HA1 HB 0.090000 1.0080 0 1909 C2 43 GLY HA2 HB 0.090000 1.0080 0 1910 C2 43 GLY C C 0.510000 12.0110 0 1911 C2 43 GLY O O -0.510000 15.9990 0 1912 C2 44 SER N NH1 -0.470000 14.0070 0 1913 C2 44 SER HN H 0.310000 1.0080 0 1914 C2 44 SER CA CT1 0.070000 12.0110 0 1915 C2 44 SER HA HB 0.090000 1.0080 0 1916 C2 44 SER CB CT2 0.050000 12.0110 0 1917 C2 44 SER HB1 HA 0.090000 1.0080 0 1918 C2 44 SER HB2 HA 0.090000 1.0080 0 1919 C2 44 SER OG OH1 -0.660000 15.9990 0 1920 C2 44 SER HG1 H 0.430000 1.0080 0 1921 C2 44 SER C C 0.510000 12.0110 0 1922 C2 44 SER O O -0.510000 15.9990 0 1923 C2 45 TYR N NH1 -0.470000 14.0070 0 1924 C2 45 TYR HN H 0.310000 1.0080 0 1925 C2 45 TYR CA CT1 0.070000 12.0110 0 1926 C2 45 TYR HA HB 0.090000 1.0080 0 1927 C2 45 TYR CB CT2 -0.180000 12.0110 0 1928 C2 45 TYR HB1 HA 0.090000 1.0080 0 1929 C2 45 TYR HB2 HA 0.090000 1.0080 0 1930 C2 45 TYR CG CA 0.000000 12.0110 0 1931 C2 45 TYR CD1 CA -0.115000 12.0110 0 1932 C2 45 TYR HD1 HP 0.115000 1.0080 0 1933 C2 45 TYR CE1 CA -0.115000 12.0110 0 1934 C2 45 TYR HE1 HP 0.115000 1.0080 0 1935 C2 45 TYR CZ CA 0.110000 12.0110 0 1936 C2 45 TYR OH OH1 -0.540000 15.9990 0 1937 C2 45 TYR HH H 0.430000 1.0080 0 1938 C2 45 TYR CD2 CA -0.115000 12.0110 0 1939 C2 45 TYR HD2 HP 0.115000 1.0080 0 1940 C2 45 TYR CE2 CA -0.115000 12.0110 0 1941 C2 45 TYR HE2 HP 0.115000 1.0080 0 1942 C2 45 TYR C C 0.510000 12.0110 0 1943 C2 45 TYR O O -0.510000 15.9990 0 1944 C2 46 LEU N NH1 -0.470000 14.0070 0 1945 C2 46 LEU HN H 0.310000 1.0080 0 1946 C2 46 LEU CA CT1 0.070000 12.0110 0 1947 C2 46 LEU HA HB 0.090000 1.0080 0 1948 C2 46 LEU CB CT2 -0.180000 12.0110 0 1949 C2 46 LEU HB1 HA 0.090000 1.0080 0 1950 C2 46 LEU HB2 HA 0.090000 1.0080 0 1951 C2 46 LEU CG CT1 -0.090000 12.0110 0 1952 C2 46 LEU HG HA 0.090000 1.0080 0 1953 C2 46 LEU CD1 CT3 -0.270000 12.0110 0 1954 C2 46 LEU HD11 HA 0.090000 1.0080 0 1955 C2 46 LEU HD12 HA 0.090000 1.0080 0 1956 C2 46 LEU HD13 HA 0.090000 1.0080 0 1957 C2 46 LEU CD2 CT3 -0.270000 12.0110 0 1958 C2 46 LEU HD21 HA 0.090000 1.0080 0 1959 C2 46 LEU HD22 HA 0.090000 1.0080 0 1960 C2 46 LEU HD23 HA 0.090000 1.0080 0 1961 C2 46 LEU C C 0.510000 12.0110 0 1962 C2 46 LEU O O -0.510000 15.9990 0 1963 C2 47 ALA N NH1 -0.470000 14.0070 0 1964 C2 47 ALA HN H 0.310000 1.0080 0 1965 C2 47 ALA CA CT1 0.070000 12.0110 0 1966 C2 47 ALA HA HB 0.090000 1.0080 0 1967 C2 47 ALA CB CT3 -0.270000 12.0110 0 1968 C2 47 ALA HB1 HA 0.090000 1.0080 0 1969 C2 47 ALA HB2 HA 0.090000 1.0080 0 1970 C2 47 ALA HB3 HA 0.090000 1.0080 0 1971 C2 47 ALA C C 0.510000 12.0110 0 1972 C2 47 ALA O O -0.510000 15.9990 0 1973 C2 48 VAL N NH1 -0.470000 14.0070 0 1974 C2 48 VAL HN H 0.310000 1.0080 0 1975 C2 48 VAL CA CT1 0.070000 12.0110 0 1976 C2 48 VAL HA HB 0.090000 1.0080 0 1977 C2 48 VAL CB CT1 -0.090000 12.0110 0 1978 C2 48 VAL HB HA 0.090000 1.0080 0 1979 C2 48 VAL CG1 CT3 -0.270000 12.0110 0 1980 C2 48 VAL HG11 HA 0.090000 1.0080 0 1981 C2 48 VAL HG12 HA 0.090000 1.0080 0 1982 C2 48 VAL HG13 HA 0.090000 1.0080 0 1983 C2 48 VAL CG2 CT3 -0.270000 12.0110 0 1984 C2 48 VAL HG21 HA 0.090000 1.0080 0 1985 C2 48 VAL HG22 HA 0.090000 1.0080 0 1986 C2 48 VAL HG23 HA 0.090000 1.0080 0 1987 C2 48 VAL C C 0.510000 12.0110 0 1988 C2 48 VAL O O -0.510000 15.9990 0 1989 C2 49 LEU N NH1 -0.470000 14.0070 0 1990 C2 49 LEU HN H 0.310000 1.0080 0 1991 C2 49 LEU CA CT1 0.070000 12.0110 0 1992 C2 49 LEU HA HB 0.090000 1.0080 0 1993 C2 49 LEU CB CT2 -0.180000 12.0110 0 1994 C2 49 LEU HB1 HA 0.090000 1.0080 0 1995 C2 49 LEU HB2 HA 0.090000 1.0080 0 1996 C2 49 LEU CG CT1 -0.090000 12.0110 0 1997 C2 49 LEU HG HA 0.090000 1.0080 0 1998 C2 49 LEU CD1 CT3 -0.270000 12.0110 0 1999 C2 49 LEU HD11 HA 0.090000 1.0080 0 2000 C2 49 LEU HD12 HA 0.090000 1.0080 0 2001 C2 49 LEU HD13 HA 0.090000 1.0080 0 2002 C2 49 LEU CD2 CT3 -0.270000 12.0110 0 2003 C2 49 LEU HD21 HA 0.090000 1.0080 0 2004 C2 49 LEU HD22 HA 0.090000 1.0080 0 2005 C2 49 LEU HD23 HA 0.090000 1.0080 0 2006 C2 49 LEU C C 0.510000 12.0110 0 2007 C2 49 LEU O O -0.510000 15.9990 0 2008 C2 50 ALA N NH1 -0.470000 14.0070 0 2009 C2 50 ALA HN H 0.310000 1.0080 0 2010 C2 50 ALA CA CT1 0.070000 12.0110 0 2011 C2 50 ALA HA HB 0.090000 1.0080 0 2012 C2 50 ALA CB CT3 -0.270000 12.0110 0 2013 C2 50 ALA HB1 HA 0.090000 1.0080 0 2014 C2 50 ALA HB2 HA 0.090000 1.0080 0 2015 C2 50 ALA HB3 HA 0.090000 1.0080 0 2016 C2 50 ALA C C 0.510000 12.0110 0 2017 C2 50 ALA O O -0.510000 15.9990 0 2018 C2 51 GLU N NH1 -0.470000 14.0070 0 2019 C2 51 GLU HN H 0.310000 1.0080 0 2020 C2 51 GLU CA CT1 0.070000 12.0110 0 2021 C2 51 GLU HA HB 0.090000 1.0080 0 2022 C2 51 GLU CB CT2 -0.180000 12.0110 0 2023 C2 51 GLU HB1 HA 0.090000 1.0080 0 2024 C2 51 GLU HB2 HA 0.090000 1.0080 0 2025 C2 51 GLU CG CT2 -0.280000 12.0110 0 2026 C2 51 GLU HG1 HA 0.090000 1.0080 0 2027 C2 51 GLU HG2 HA 0.090000 1.0080 0 2028 C2 51 GLU CD CC 0.620000 12.0110 0 2029 C2 51 GLU OE1 OC -0.760000 15.9990 0 2030 C2 51 GLU OE2 OC -0.760000 15.9990 0 2031 C2 51 GLU C C 0.510000 12.0110 0 2032 C2 51 GLU O O -0.510000 15.9990 0 2033 C2 52 ARG N NH1 -0.470000 14.0070 0 2034 C2 52 ARG HN H 0.310000 1.0080 0 2035 C2 52 ARG CA CT1 0.070000 12.0110 0 2036 C2 52 ARG HA HB 0.090000 1.0080 0 2037 C2 52 ARG CB CT2 -0.180000 12.0110 0 2038 C2 52 ARG HB1 HA 0.090000 1.0080 0 2039 C2 52 ARG HB2 HA 0.090000 1.0080 0 2040 C2 52 ARG CG CT2 -0.180000 12.0110 0 2041 C2 52 ARG HG1 HA 0.090000 1.0080 0 2042 C2 52 ARG HG2 HA 0.090000 1.0080 0 2043 C2 52 ARG CD CT2 0.200000 12.0110 0 2044 C2 52 ARG HD1 HA 0.090000 1.0080 0 2045 C2 52 ARG HD2 HA 0.090000 1.0080 0 2046 C2 52 ARG NE NC2 -0.700000 14.0070 0 2047 C2 52 ARG HE HC 0.440000 1.0080 0 2048 C2 52 ARG CZ C 0.640000 12.0110 0 2049 C2 52 ARG NH1 NC2 -0.800000 14.0070 0 2050 C2 52 ARG HH11 HC 0.460000 1.0080 0 2051 C2 52 ARG HH12 HC 0.460000 1.0080 0 2052 C2 52 ARG NH2 NC2 -0.800000 14.0070 0 2053 C2 52 ARG HH21 HC 0.460000 1.0080 0 2054 C2 52 ARG HH22 HC 0.460000 1.0080 0 2055 C2 52 ARG C C 0.510000 12.0110 0 2056 C2 52 ARG O O -0.510000 15.9990 0 2057 C2 53 GLY N NH1 -0.470000 14.0070 0 2058 C2 53 GLY HN H 0.310000 1.0080 0 2059 C2 53 GLY CA CT2 -0.020000 12.0110 0 2060 C2 53 GLY HA1 HB 0.090000 1.0080 0 2061 C2 53 GLY HA2 HB 0.090000 1.0080 0 2062 C2 53 GLY C C 0.510000 12.0110 0 2063 C2 53 GLY O O -0.510000 15.9990 0 2064 C2 54 ALA N NH1 -0.470000 14.0070 0 2065 C2 54 ALA HN H 0.310000 1.0080 0 2066 C2 54 ALA CA CT1 0.070000 12.0110 0 2067 C2 54 ALA HA HB 0.090000 1.0080 0 2068 C2 54 ALA CB CT3 -0.270000 12.0110 0 2069 C2 54 ALA HB1 HA 0.090000 1.0080 0 2070 C2 54 ALA HB2 HA 0.090000 1.0080 0 2071 C2 54 ALA HB3 HA 0.090000 1.0080 0 2072 C2 54 ALA C C 0.510000 12.0110 0 2073 C2 54 ALA O O -0.510000 15.9990 0 2074 C2 55 PRO N N -0.290000 14.0070 0 2075 C2 55 PRO CD CP3 0.000000 12.0110 0 2076 C2 55 PRO HD1 HA 0.090000 1.0080 0 2077 C2 55 PRO HD2 HA 0.090000 1.0080 0 2078 C2 55 PRO CA CP1 0.020000 12.0110 0 2079 C2 55 PRO HA HB 0.090000 1.0080 0 2080 C2 55 PRO CB CP2 -0.180000 12.0110 0 2081 C2 55 PRO HB1 HA 0.090000 1.0080 0 2082 C2 55 PRO HB2 HA 0.090000 1.0080 0 2083 C2 55 PRO CG CP2 -0.180000 12.0110 0 2084 C2 55 PRO HG1 HA 0.090000 1.0080 0 2085 C2 55 PRO HG2 HA 0.090000 1.0080 0 2086 C2 55 PRO C C 0.510000 12.0110 0 2087 C2 55 PRO O O -0.510000 15.9990 0 2088 C2 56 GLY N NH1 -0.470000 14.0070 0 2089 C2 56 GLY HN H 0.310000 1.0080 0 2090 C2 56 GLY CA CT2 -0.020000 12.0110 0 2091 C2 56 GLY HA1 HB 0.090000 1.0080 0 2092 C2 56 GLY HA2 HB 0.090000 1.0080 0 2093 C2 56 GLY C C 0.510000 12.0110 0 2094 C2 56 GLY O O -0.510000 15.9990 0 2095 C2 57 ALA N NH1 -0.470000 14.0070 0 2096 C2 57 ALA HN H 0.310000 1.0080 0 2097 C2 57 ALA CA CT1 0.070000 12.0110 0 2098 C2 57 ALA HA HB 0.090000 1.0080 0 2099 C2 57 ALA CB CT3 -0.270000 12.0110 0 2100 C2 57 ALA HB1 HA 0.090000 1.0080 0 2101 C2 57 ALA HB2 HA 0.090000 1.0080 0 2102 C2 57 ALA HB3 HA 0.090000 1.0080 0 2103 C2 57 ALA C C 0.510000 12.0110 0 2104 C2 57 ALA O O -0.510000 15.9990 0 2105 C2 58 GLN N NH1 -0.470000 14.0070 0 2106 C2 58 GLN HN H 0.310000 1.0080 0 2107 C2 58 GLN CA CT1 0.070000 12.0110 0 2108 C2 58 GLN HA HB 0.090000 1.0080 0 2109 C2 58 GLN CB CT2 -0.180000 12.0110 0 2110 C2 58 GLN HB1 HA 0.090000 1.0080 0 2111 C2 58 GLN HB2 HA 0.090000 1.0080 0 2112 C2 58 GLN CG CT2 -0.180000 12.0110 0 2113 C2 58 GLN HG1 HA 0.090000 1.0080 0 2114 C2 58 GLN HG2 HA 0.090000 1.0080 0 2115 C2 58 GLN CD CC 0.550000 12.0110 0 2116 C2 58 GLN OE1 O -0.550000 15.9990 0 2117 C2 58 GLN NE2 NH2 -0.620000 14.0070 0 2118 C2 58 GLN HE21 H 0.320000 1.0080 0 2119 C2 58 GLN HE22 H 0.300000 1.0080 0 2120 C2 58 GLN C C 0.510000 12.0110 0 2121 C2 58 GLN O O -0.510000 15.9990 0 2122 C2 59 LEU N NH1 -0.470000 14.0070 0 2123 C2 59 LEU HN H 0.310000 1.0080 0 2124 C2 59 LEU CA CT1 0.070000 12.0110 0 2125 C2 59 LEU HA HB 0.090000 1.0080 0 2126 C2 59 LEU CB CT2 -0.180000 12.0110 0 2127 C2 59 LEU HB1 HA 0.090000 1.0080 0 2128 C2 59 LEU HB2 HA 0.090000 1.0080 0 2129 C2 59 LEU CG CT1 -0.090000 12.0110 0 2130 C2 59 LEU HG HA 0.090000 1.0080 0 2131 C2 59 LEU CD1 CT3 -0.270000 12.0110 0 2132 C2 59 LEU HD11 HA 0.090000 1.0080 0 2133 C2 59 LEU HD12 HA 0.090000 1.0080 0 2134 C2 59 LEU HD13 HA 0.090000 1.0080 0 2135 C2 59 LEU CD2 CT3 -0.270000 12.0110 0 2136 C2 59 LEU HD21 HA 0.090000 1.0080 0 2137 C2 59 LEU HD22 HA 0.090000 1.0080 0 2138 C2 59 LEU HD23 HA 0.090000 1.0080 0 2139 C2 59 LEU C C 0.510000 12.0110 0 2140 C2 59 LEU O O -0.510000 15.9990 0 2141 C2 60 ILE N NH1 -0.470000 14.0070 0 2142 C2 60 ILE HN H 0.310000 1.0080 0 2143 C2 60 ILE CA CT1 0.070000 12.0110 0 2144 C2 60 ILE HA HB 0.090000 1.0080 0 2145 C2 60 ILE CB CT1 -0.090000 12.0110 0 2146 C2 60 ILE HB HA 0.090000 1.0080 0 2147 C2 60 ILE CG2 CT3 -0.270000 12.0110 0 2148 C2 60 ILE HG21 HA 0.090000 1.0080 0 2149 C2 60 ILE HG22 HA 0.090000 1.0080 0 2150 C2 60 ILE HG23 HA 0.090000 1.0080 0 2151 C2 60 ILE CG1 CT2 -0.180000 12.0110 0 2152 C2 60 ILE HG11 HA 0.090000 1.0080 0 2153 C2 60 ILE HG12 HA 0.090000 1.0080 0 2154 C2 60 ILE CD CT3 -0.270000 12.0110 0 2155 C2 60 ILE HD1 HA 0.090000 1.0080 0 2156 C2 60 ILE HD2 HA 0.090000 1.0080 0 2157 C2 60 ILE HD3 HA 0.090000 1.0080 0 2158 C2 60 ILE C C 0.510000 12.0110 0 2159 C2 60 ILE O O -0.510000 15.9990 0 2160 C2 61 THR N NH1 -0.470000 14.0070 0 2161 C2 61 THR HN H 0.310000 1.0080 0 2162 C2 61 THR CA CT1 0.070000 12.0110 0 2163 C2 61 THR HA HB 0.090000 1.0080 0 2164 C2 61 THR CB CT1 0.140000 12.0110 0 2165 C2 61 THR HB HA 0.090000 1.0080 0 2166 C2 61 THR OG1 OH1 -0.660000 15.9990 0 2167 C2 61 THR HG1 H 0.430000 1.0080 0 2168 C2 61 THR CG2 CT3 -0.270000 12.0110 0 2169 C2 61 THR HG21 HA 0.090000 1.0080 0 2170 C2 61 THR HG22 HA 0.090000 1.0080 0 2171 C2 61 THR HG23 HA 0.090000 1.0080 0 2172 C2 61 THR C C 0.510000 12.0110 0 2173 C2 61 THR O O -0.510000 15.9990 0 2174 C2 62 TYR N NH1 -0.470000 14.0070 0 2175 C2 62 TYR HN H 0.310000 1.0080 0 2176 C2 62 TYR CA CT1 0.070000 12.0110 0 2177 C2 62 TYR HA HB 0.090000 1.0080 0 2178 C2 62 TYR CB CT2 -0.180000 12.0110 0 2179 C2 62 TYR HB1 HA 0.090000 1.0080 0 2180 C2 62 TYR HB2 HA 0.090000 1.0080 0 2181 C2 62 TYR CG CA 0.000000 12.0110 0 2182 C2 62 TYR CD1 CA -0.115000 12.0110 0 2183 C2 62 TYR HD1 HP 0.115000 1.0080 0 2184 C2 62 TYR CE1 CA -0.115000 12.0110 0 2185 C2 62 TYR HE1 HP 0.115000 1.0080 0 2186 C2 62 TYR CZ CA 0.110000 12.0110 0 2187 C2 62 TYR OH OH1 -0.540000 15.9990 0 2188 C2 62 TYR HH H 0.430000 1.0080 0 2189 C2 62 TYR CD2 CA -0.115000 12.0110 0 2190 C2 62 TYR HD2 HP 0.115000 1.0080 0 2191 C2 62 TYR CE2 CA -0.115000 12.0110 0 2192 C2 62 TYR HE2 HP 0.115000 1.0080 0 2193 C2 62 TYR C C 0.510000 12.0110 0 2194 C2 62 TYR O O -0.510000 15.9990 0 2195 C2 63 PRO N N -0.290000 14.0070 0 2196 C2 63 PRO CD CP3 0.000000 12.0110 0 2197 C2 63 PRO HD1 HA 0.090000 1.0080 0 2198 C2 63 PRO HD2 HA 0.090000 1.0080 0 2199 C2 63 PRO CA CP1 0.020000 12.0110 0 2200 C2 63 PRO HA HB 0.090000 1.0080 0 2201 C2 63 PRO CB CP2 -0.180000 12.0110 0 2202 C2 63 PRO HB1 HA 0.090000 1.0080 0 2203 C2 63 PRO HB2 HA 0.090000 1.0080 0 2204 C2 63 PRO CG CP2 -0.180000 12.0110 0 2205 C2 63 PRO HG1 HA 0.090000 1.0080 0 2206 C2 63 PRO HG2 HA 0.090000 1.0080 0 2207 C2 63 PRO C C 0.510000 12.0110 0 2208 C2 63 PRO O O -0.510000 15.9990 0 2209 C2 64 ARG N NH1 -0.470000 14.0070 0 2210 C2 64 ARG HN H 0.310000 1.0080 0 2211 C2 64 ARG CA CT1 0.070000 12.0110 0 2212 C2 64 ARG HA HB 0.090000 1.0080 0 2213 C2 64 ARG CB CT2 -0.180000 12.0110 0 2214 C2 64 ARG HB1 HA 0.090000 1.0080 0 2215 C2 64 ARG HB2 HA 0.090000 1.0080 0 2216 C2 64 ARG CG CT2 -0.180000 12.0110 0 2217 C2 64 ARG HG1 HA 0.090000 1.0080 0 2218 C2 64 ARG HG2 HA 0.090000 1.0080 0 2219 C2 64 ARG CD CT2 0.200000 12.0110 0 2220 C2 64 ARG HD1 HA 0.090000 1.0080 0 2221 C2 64 ARG HD2 HA 0.090000 1.0080 0 2222 C2 64 ARG NE NC2 -0.700000 14.0070 0 2223 C2 64 ARG HE HC 0.440000 1.0080 0 2224 C2 64 ARG CZ C 0.640000 12.0110 0 2225 C2 64 ARG NH1 NC2 -0.800000 14.0070 0 2226 C2 64 ARG HH11 HC 0.460000 1.0080 0 2227 C2 64 ARG HH12 HC 0.460000 1.0080 0 2228 C2 64 ARG NH2 NC2 -0.800000 14.0070 0 2229 C2 64 ARG HH21 HC 0.460000 1.0080 0 2230 C2 64 ARG HH22 HC 0.460000 1.0080 0 2231 C2 64 ARG C C 0.510000 12.0110 0 2232 C2 64 ARG O O -0.510000 15.9990 0 2233 C2 65 ALA N NH1 -0.470000 14.0070 0 2234 C2 65 ALA HN H 0.310000 1.0080 0 2235 C2 65 ALA CA CT1 0.070000 12.0110 0 2236 C2 65 ALA HA HB 0.090000 1.0080 0 2237 C2 65 ALA CB CT3 -0.270000 12.0110 0 2238 C2 65 ALA HB1 HA 0.090000 1.0080 0 2239 C2 65 ALA HB2 HA 0.090000 1.0080 0 2240 C2 65 ALA HB3 HA 0.090000 1.0080 0 2241 C2 65 ALA C C 0.510000 12.0110 0 2242 C2 65 ALA O O -0.510000 15.9990 0 2243 C2 66 LEU N NH1 -0.470000 14.0070 0 2244 C2 66 LEU HN H 0.310000 1.0080 0 2245 C2 66 LEU CA CT1 0.070000 12.0110 0 2246 C2 66 LEU HA HB 0.090000 1.0080 0 2247 C2 66 LEU CB CT2 -0.180000 12.0110 0 2248 C2 66 LEU HB1 HA 0.090000 1.0080 0 2249 C2 66 LEU HB2 HA 0.090000 1.0080 0 2250 C2 66 LEU CG CT1 -0.090000 12.0110 0 2251 C2 66 LEU HG HA 0.090000 1.0080 0 2252 C2 66 LEU CD1 CT3 -0.270000 12.0110 0 2253 C2 66 LEU HD11 HA 0.090000 1.0080 0 2254 C2 66 LEU HD12 HA 0.090000 1.0080 0 2255 C2 66 LEU HD13 HA 0.090000 1.0080 0 2256 C2 66 LEU CD2 CT3 -0.270000 12.0110 0 2257 C2 66 LEU HD21 HA 0.090000 1.0080 0 2258 C2 66 LEU HD22 HA 0.090000 1.0080 0 2259 C2 66 LEU HD23 HA 0.090000 1.0080 0 2260 C2 66 LEU C C 0.510000 12.0110 0 2261 C2 66 LEU O O -0.510000 15.9990 0 2262 C2 67 TRP N NH1 -0.470000 14.0070 0 2263 C2 67 TRP HN H 0.310000 1.0080 0 2264 C2 67 TRP CA CT1 0.070000 12.0110 0 2265 C2 67 TRP HA HB 0.090000 1.0080 0 2266 C2 67 TRP CB CT2 -0.180000 12.0110 0 2267 C2 67 TRP HB1 HA 0.090000 1.0080 0 2268 C2 67 TRP HB2 HA 0.090000 1.0080 0 2269 C2 67 TRP CG CY -0.030000 12.0110 0 2270 C2 67 TRP CD1 CA 0.035000 12.0110 0 2271 C2 67 TRP HD1 HP 0.115000 1.0080 0 2272 C2 67 TRP NE1 NY -0.610000 14.0070 0 2273 C2 67 TRP HE1 H 0.380000 1.0080 0 2274 C2 67 TRP CE2 CPT 0.130000 12.0110 0 2275 C2 67 TRP CD2 CPT -0.020000 12.0110 0 2276 C2 67 TRP CE3 CA -0.115000 12.0110 0 2277 C2 67 TRP HE3 HP 0.115000 1.0080 0 2278 C2 67 TRP CZ3 CA -0.115000 12.0110 0 2279 C2 67 TRP HZ3 HP 0.115000 1.0080 0 2280 C2 67 TRP CZ2 CA -0.115000 12.0110 0 2281 C2 67 TRP HZ2 HP 0.115000 1.0080 0 2282 C2 67 TRP CH2 CA -0.115000 12.0110 0 2283 C2 67 TRP HH2 HP 0.115000 1.0080 0 2284 C2 67 TRP C C 0.510000 12.0110 0 2285 C2 67 TRP O O -0.510000 15.9990 0 2286 C2 68 TRP N NH1 -0.470000 14.0070 0 2287 C2 68 TRP HN H 0.310000 1.0080 0 2288 C2 68 TRP CA CT1 0.070000 12.0110 0 2289 C2 68 TRP HA HB 0.090000 1.0080 0 2290 C2 68 TRP CB CT2 -0.180000 12.0110 0 2291 C2 68 TRP HB1 HA 0.090000 1.0080 0 2292 C2 68 TRP HB2 HA 0.090000 1.0080 0 2293 C2 68 TRP CG CY -0.030000 12.0110 0 2294 C2 68 TRP CD1 CA 0.035000 12.0110 0 2295 C2 68 TRP HD1 HP 0.115000 1.0080 0 2296 C2 68 TRP NE1 NY -0.610000 14.0070 0 2297 C2 68 TRP HE1 H 0.380000 1.0080 0 2298 C2 68 TRP CE2 CPT 0.130000 12.0110 0 2299 C2 68 TRP CD2 CPT -0.020000 12.0110 0 2300 C2 68 TRP CE3 CA -0.115000 12.0110 0 2301 C2 68 TRP HE3 HP 0.115000 1.0080 0 2302 C2 68 TRP CZ3 CA -0.115000 12.0110 0 2303 C2 68 TRP HZ3 HP 0.115000 1.0080 0 2304 C2 68 TRP CZ2 CA -0.115000 12.0110 0 2305 C2 68 TRP HZ2 HP 0.115000 1.0080 0 2306 C2 68 TRP CH2 CA -0.115000 12.0110 0 2307 C2 68 TRP HH2 HP 0.115000 1.0080 0 2308 C2 68 TRP C C 0.510000 12.0110 0 2309 C2 68 TRP O O -0.510000 15.9990 0 2310 C2 69 SER N NH1 -0.470000 14.0070 0 2311 C2 69 SER HN H 0.310000 1.0080 0 2312 C2 69 SER CA CT1 0.070000 12.0110 0 2313 C2 69 SER HA HB 0.090000 1.0080 0 2314 C2 69 SER CB CT2 0.050000 12.0110 0 2315 C2 69 SER HB1 HA 0.090000 1.0080 0 2316 C2 69 SER HB2 HA 0.090000 1.0080 0 2317 C2 69 SER OG OH1 -0.660000 15.9990 0 2318 C2 69 SER HG1 H 0.430000 1.0080 0 2319 C2 69 SER C C 0.510000 12.0110 0 2320 C2 69 SER O O -0.510000 15.9990 0 2321 C2 70 VAL N NH1 -0.470000 14.0070 0 2322 C2 70 VAL HN H 0.310000 1.0080 0 2323 C2 70 VAL CA CT1 0.070000 12.0110 0 2324 C2 70 VAL HA HB 0.090000 1.0080 0 2325 C2 70 VAL CB CT1 -0.090000 12.0110 0 2326 C2 70 VAL HB HA 0.090000 1.0080 0 2327 C2 70 VAL CG1 CT3 -0.270000 12.0110 0 2328 C2 70 VAL HG11 HA 0.090000 1.0080 0 2329 C2 70 VAL HG12 HA 0.090000 1.0080 0 2330 C2 70 VAL HG13 HA 0.090000 1.0080 0 2331 C2 70 VAL CG2 CT3 -0.270000 12.0110 0 2332 C2 70 VAL HG21 HA 0.090000 1.0080 0 2333 C2 70 VAL HG22 HA 0.090000 1.0080 0 2334 C2 70 VAL HG23 HA 0.090000 1.0080 0 2335 C2 70 VAL C C 0.510000 12.0110 0 2336 C2 70 VAL O O -0.510000 15.9990 0 2337 C2 71 GLU CG CT2 -0.210000 12.0110 0 2338 C2 71 GLU HG1 HA 0.090000 1.0080 0 2339 C2 71 GLU HG2 HA 0.090000 1.0080 0 2340 C2 71 GLU CD CD 0.750000 12.0110 0 2341 C2 71 GLU OE1 OB -0.550000 15.9990 0 2342 C2 71 GLU OE2 OH1 -0.610000 15.9990 0 2343 C2 71 GLU HE2 H 0.440000 1.0080 0 2344 C2 71 GLU N NH1 -0.470000 14.0070 0 2345 C2 71 GLU HN H 0.310000 1.0080 0 2346 C2 71 GLU CA CT1 0.070000 12.0110 0 2347 C2 71 GLU HA HB 0.090000 1.0080 0 2348 C2 71 GLU CB CT2 -0.180000 12.0110 0 2349 C2 71 GLU HB1 HA 0.090000 1.0080 0 2350 C2 71 GLU HB2 HA 0.090000 1.0080 0 2351 C2 71 GLU C C 0.510000 12.0110 0 2352 C2 71 GLU O O -0.510000 15.9990 0 2353 C2 72 THR N NH1 -0.470000 14.0070 0 2354 C2 72 THR HN H 0.310000 1.0080 0 2355 C2 72 THR CA CT1 0.070000 12.0110 0 2356 C2 72 THR HA HB 0.090000 1.0080 0 2357 C2 72 THR CB CT1 0.140000 12.0110 0 2358 C2 72 THR HB HA 0.090000 1.0080 0 2359 C2 72 THR OG1 OH1 -0.660000 15.9990 0 2360 C2 72 THR HG1 H 0.430000 1.0080 0 2361 C2 72 THR CG2 CT3 -0.270000 12.0110 0 2362 C2 72 THR HG21 HA 0.090000 1.0080 0 2363 C2 72 THR HG22 HA 0.090000 1.0080 0 2364 C2 72 THR HG23 HA 0.090000 1.0080 0 2365 C2 72 THR C C 0.510000 12.0110 0 2366 C2 72 THR O O -0.510000 15.9990 0 2367 C2 73 ALA N NH1 -0.470000 14.0070 0 2368 C2 73 ALA HN H 0.310000 1.0080 0 2369 C2 73 ALA CA CT1 0.070000 12.0110 0 2370 C2 73 ALA HA HB 0.090000 1.0080 0 2371 C2 73 ALA CB CT3 -0.270000 12.0110 0 2372 C2 73 ALA HB1 HA 0.090000 1.0080 0 2373 C2 73 ALA HB2 HA 0.090000 1.0080 0 2374 C2 73 ALA HB3 HA 0.090000 1.0080 0 2375 C2 73 ALA C C 0.510000 12.0110 0 2376 C2 73 ALA O O -0.510000 15.9990 0 2377 C2 74 THR N NH1 -0.470000 14.0070 0 2378 C2 74 THR HN H 0.310000 1.0080 0 2379 C2 74 THR CA CT1 0.070000 12.0110 0 2380 C2 74 THR HA HB 0.090000 1.0080 0 2381 C2 74 THR CB CT1 0.140000 12.0110 0 2382 C2 74 THR HB HA 0.090000 1.0080 0 2383 C2 74 THR OG1 OH1 -0.660000 15.9990 0 2384 C2 74 THR HG1 H 0.430000 1.0080 0 2385 C2 74 THR CG2 CT3 -0.270000 12.0110 0 2386 C2 74 THR HG21 HA 0.090000 1.0080 0 2387 C2 74 THR HG22 HA 0.090000 1.0080 0 2388 C2 74 THR HG23 HA 0.090000 1.0080 0 2389 C2 74 THR C C 0.510000 12.0110 0 2390 C2 74 THR O O -0.510000 15.9990 0 2391 C2 75 THR N NH1 -0.470000 14.0070 0 2392 C2 75 THR HN H 0.310000 1.0080 0 2393 C2 75 THR CA CT1 0.070000 12.0110 0 2394 C2 75 THR HA HB 0.090000 1.0080 0 2395 C2 75 THR CB CT1 0.140000 12.0110 0 2396 C2 75 THR HB HA 0.090000 1.0080 0 2397 C2 75 THR OG1 OH1 -0.660000 15.9990 0 2398 C2 75 THR HG1 H 0.430000 1.0080 0 2399 C2 75 THR CG2 CT3 -0.270000 12.0110 0 2400 C2 75 THR HG21 HA 0.090000 1.0080 0 2401 C2 75 THR HG22 HA 0.090000 1.0080 0 2402 C2 75 THR HG23 HA 0.090000 1.0080 0 2403 C2 75 THR C C 0.510000 12.0110 0 2404 C2 75 THR O O -0.510000 15.9990 0 2405 C2 76 VAL N NH1 -0.470000 14.0070 0 2406 C2 76 VAL HN H 0.310000 1.0080 0 2407 C2 76 VAL CA CT1 0.070000 12.0110 0 2408 C2 76 VAL HA HB 0.090000 1.0080 0 2409 C2 76 VAL CB CT1 -0.090000 12.0110 0 2410 C2 76 VAL HB HA 0.090000 1.0080 0 2411 C2 76 VAL CG1 CT3 -0.270000 12.0110 0 2412 C2 76 VAL HG11 HA 0.090000 1.0080 0 2413 C2 76 VAL HG12 HA 0.090000 1.0080 0 2414 C2 76 VAL HG13 HA 0.090000 1.0080 0 2415 C2 76 VAL CG2 CT3 -0.270000 12.0110 0 2416 C2 76 VAL HG21 HA 0.090000 1.0080 0 2417 C2 76 VAL HG22 HA 0.090000 1.0080 0 2418 C2 76 VAL HG23 HA 0.090000 1.0080 0 2419 C2 76 VAL C C 0.510000 12.0110 0 2420 C2 76 VAL O O -0.510000 15.9990 0 2421 C2 77 GLY N NH1 -0.470000 14.0070 0 2422 C2 77 GLY HN H 0.310000 1.0080 0 2423 C2 77 GLY CA CT2 -0.020000 12.0110 0 2424 C2 77 GLY HA1 HB 0.090000 1.0080 0 2425 C2 77 GLY HA2 HB 0.090000 1.0080 0 2426 C2 77 GLY C C 0.510000 12.0110 0 2427 C2 77 GLY O O -0.510000 15.9990 0 2428 C2 78 TYR N NH1 -0.470000 14.0070 0 2429 C2 78 TYR HN H 0.310000 1.0080 0 2430 C2 78 TYR CA CT1 0.070000 12.0110 0 2431 C2 78 TYR HA HB 0.090000 1.0080 0 2432 C2 78 TYR CB CT2 -0.180000 12.0110 0 2433 C2 78 TYR HB1 HA 0.090000 1.0080 0 2434 C2 78 TYR HB2 HA 0.090000 1.0080 0 2435 C2 78 TYR CG CA 0.000000 12.0110 0 2436 C2 78 TYR CD1 CA -0.115000 12.0110 0 2437 C2 78 TYR HD1 HP 0.115000 1.0080 0 2438 C2 78 TYR CE1 CA -0.115000 12.0110 0 2439 C2 78 TYR HE1 HP 0.115000 1.0080 0 2440 C2 78 TYR CZ CA 0.110000 12.0110 0 2441 C2 78 TYR OH OH1 -0.540000 15.9990 0 2442 C2 78 TYR HH H 0.430000 1.0080 0 2443 C2 78 TYR CD2 CA -0.115000 12.0110 0 2444 C2 78 TYR HD2 HP 0.115000 1.0080 0 2445 C2 78 TYR CE2 CA -0.115000 12.0110 0 2446 C2 78 TYR HE2 HP 0.115000 1.0080 0 2447 C2 78 TYR C C 0.510000 12.0110 0 2448 C2 78 TYR O O -0.510000 15.9990 0 2449 C2 79 GLY N NH1 -0.470000 14.0070 0 2450 C2 79 GLY HN H 0.310000 1.0080 0 2451 C2 79 GLY CA CT2 -0.020000 12.0110 0 2452 C2 79 GLY HA1 HB 0.090000 1.0080 0 2453 C2 79 GLY HA2 HB 0.090000 1.0080 0 2454 C2 79 GLY C C 0.510000 12.0110 0 2455 C2 79 GLY O O -0.510000 15.9990 0 2456 C2 80 ASP N NH1 -0.470000 14.0070 0 2457 C2 80 ASP HN H 0.310000 1.0080 0 2458 C2 80 ASP CA CT1 0.070000 12.0110 0 2459 C2 80 ASP HA HB 0.090000 1.0080 0 2460 C2 80 ASP CB CT2 -0.280000 12.0110 0 2461 C2 80 ASP HB1 HA 0.090000 1.0080 0 2462 C2 80 ASP HB2 HA 0.090000 1.0080 0 2463 C2 80 ASP CG CC 0.620000 12.0110 0 2464 C2 80 ASP OD1 OC -0.760000 15.9990 0 2465 C2 80 ASP OD2 OC -0.760000 15.9990 0 2466 C2 80 ASP C C 0.510000 12.0110 0 2467 C2 80 ASP O O -0.510000 15.9990 0 2468 C2 81 LEU N NH1 -0.470000 14.0070 0 2469 C2 81 LEU HN H 0.310000 1.0080 0 2470 C2 81 LEU CA CT1 0.070000 12.0110 0 2471 C2 81 LEU HA HB 0.090000 1.0080 0 2472 C2 81 LEU CB CT2 -0.180000 12.0110 0 2473 C2 81 LEU HB1 HA 0.090000 1.0080 0 2474 C2 81 LEU HB2 HA 0.090000 1.0080 0 2475 C2 81 LEU CG CT1 -0.090000 12.0110 0 2476 C2 81 LEU HG HA 0.090000 1.0080 0 2477 C2 81 LEU CD1 CT3 -0.270000 12.0110 0 2478 C2 81 LEU HD11 HA 0.090000 1.0080 0 2479 C2 81 LEU HD12 HA 0.090000 1.0080 0 2480 C2 81 LEU HD13 HA 0.090000 1.0080 0 2481 C2 81 LEU CD2 CT3 -0.270000 12.0110 0 2482 C2 81 LEU HD21 HA 0.090000 1.0080 0 2483 C2 81 LEU HD22 HA 0.090000 1.0080 0 2484 C2 81 LEU HD23 HA 0.090000 1.0080 0 2485 C2 81 LEU C C 0.510000 12.0110 0 2486 C2 81 LEU O O -0.510000 15.9990 0 2487 C2 82 TYR N NH1 -0.470000 14.0070 0 2488 C2 82 TYR HN H 0.310000 1.0080 0 2489 C2 82 TYR CA CT1 0.070000 12.0110 0 2490 C2 82 TYR HA HB 0.090000 1.0080 0 2491 C2 82 TYR CB CT2 -0.180000 12.0110 0 2492 C2 82 TYR HB1 HA 0.090000 1.0080 0 2493 C2 82 TYR HB2 HA 0.090000 1.0080 0 2494 C2 82 TYR CG CA 0.000000 12.0110 0 2495 C2 82 TYR CD1 CA -0.115000 12.0110 0 2496 C2 82 TYR HD1 HP 0.115000 1.0080 0 2497 C2 82 TYR CE1 CA -0.115000 12.0110 0 2498 C2 82 TYR HE1 HP 0.115000 1.0080 0 2499 C2 82 TYR CZ CA 0.110000 12.0110 0 2500 C2 82 TYR OH OH1 -0.540000 15.9990 0 2501 C2 82 TYR HH H 0.430000 1.0080 0 2502 C2 82 TYR CD2 CA -0.115000 12.0110 0 2503 C2 82 TYR HD2 HP 0.115000 1.0080 0 2504 C2 82 TYR CE2 CA -0.115000 12.0110 0 2505 C2 82 TYR HE2 HP 0.115000 1.0080 0 2506 C2 82 TYR C C 0.510000 12.0110 0 2507 C2 82 TYR O O -0.510000 15.9990 0 2508 C2 83 PRO N N -0.290000 14.0070 0 2509 C2 83 PRO CD CP3 0.000000 12.0110 0 2510 C2 83 PRO HD1 HA 0.090000 1.0080 0 2511 C2 83 PRO HD2 HA 0.090000 1.0080 0 2512 C2 83 PRO CA CP1 0.020000 12.0110 0 2513 C2 83 PRO HA HB 0.090000 1.0080 0 2514 C2 83 PRO CB CP2 -0.180000 12.0110 0 2515 C2 83 PRO HB1 HA 0.090000 1.0080 0 2516 C2 83 PRO HB2 HA 0.090000 1.0080 0 2517 C2 83 PRO CG CP2 -0.180000 12.0110 0 2518 C2 83 PRO HG1 HA 0.090000 1.0080 0 2519 C2 83 PRO HG2 HA 0.090000 1.0080 0 2520 C2 83 PRO C C 0.510000 12.0110 0 2521 C2 83 PRO O O -0.510000 15.9990 0 2522 C2 84 VAL N NH1 -0.470000 14.0070 0 2523 C2 84 VAL HN H 0.310000 1.0080 0 2524 C2 84 VAL CA CT1 0.070000 12.0110 0 2525 C2 84 VAL HA HB 0.090000 1.0080 0 2526 C2 84 VAL CB CT1 -0.090000 12.0110 0 2527 C2 84 VAL HB HA 0.090000 1.0080 0 2528 C2 84 VAL CG1 CT3 -0.270000 12.0110 0 2529 C2 84 VAL HG11 HA 0.090000 1.0080 0 2530 C2 84 VAL HG12 HA 0.090000 1.0080 0 2531 C2 84 VAL HG13 HA 0.090000 1.0080 0 2532 C2 84 VAL CG2 CT3 -0.270000 12.0110 0 2533 C2 84 VAL HG21 HA 0.090000 1.0080 0 2534 C2 84 VAL HG22 HA 0.090000 1.0080 0 2535 C2 84 VAL HG23 HA 0.090000 1.0080 0 2536 C2 84 VAL C C 0.510000 12.0110 0 2537 C2 84 VAL O O -0.510000 15.9990 0 2538 C2 85 THR N NH1 -0.470000 14.0070 0 2539 C2 85 THR HN H 0.310000 1.0080 0 2540 C2 85 THR CA CT1 0.070000 12.0110 0 2541 C2 85 THR HA HB 0.090000 1.0080 0 2542 C2 85 THR CB CT1 0.140000 12.0110 0 2543 C2 85 THR HB HA 0.090000 1.0080 0 2544 C2 85 THR OG1 OH1 -0.660000 15.9990 0 2545 C2 85 THR HG1 H 0.430000 1.0080 0 2546 C2 85 THR CG2 CT3 -0.270000 12.0110 0 2547 C2 85 THR HG21 HA 0.090000 1.0080 0 2548 C2 85 THR HG22 HA 0.090000 1.0080 0 2549 C2 85 THR HG23 HA 0.090000 1.0080 0 2550 C2 85 THR C C 0.510000 12.0110 0 2551 C2 85 THR O O -0.510000 15.9990 0 2552 C2 86 LEU N NH1 -0.470000 14.0070 0 2553 C2 86 LEU HN H 0.310000 1.0080 0 2554 C2 86 LEU CA CT1 0.070000 12.0110 0 2555 C2 86 LEU HA HB 0.090000 1.0080 0 2556 C2 86 LEU CB CT2 -0.180000 12.0110 0 2557 C2 86 LEU HB1 HA 0.090000 1.0080 0 2558 C2 86 LEU HB2 HA 0.090000 1.0080 0 2559 C2 86 LEU CG CT1 -0.090000 12.0110 0 2560 C2 86 LEU HG HA 0.090000 1.0080 0 2561 C2 86 LEU CD1 CT3 -0.270000 12.0110 0 2562 C2 86 LEU HD11 HA 0.090000 1.0080 0 2563 C2 86 LEU HD12 HA 0.090000 1.0080 0 2564 C2 86 LEU HD13 HA 0.090000 1.0080 0 2565 C2 86 LEU CD2 CT3 -0.270000 12.0110 0 2566 C2 86 LEU HD21 HA 0.090000 1.0080 0 2567 C2 86 LEU HD22 HA 0.090000 1.0080 0 2568 C2 86 LEU HD23 HA 0.090000 1.0080 0 2569 C2 86 LEU C C 0.510000 12.0110 0 2570 C2 86 LEU O O -0.510000 15.9990 0 2571 C2 87 TRP N NH1 -0.470000 14.0070 0 2572 C2 87 TRP HN H 0.310000 1.0080 0 2573 C2 87 TRP CA CT1 0.070000 12.0110 0 2574 C2 87 TRP HA HB 0.090000 1.0080 0 2575 C2 87 TRP CB CT2 -0.180000 12.0110 0 2576 C2 87 TRP HB1 HA 0.090000 1.0080 0 2577 C2 87 TRP HB2 HA 0.090000 1.0080 0 2578 C2 87 TRP CG CY -0.030000 12.0110 0 2579 C2 87 TRP CD1 CA 0.035000 12.0110 0 2580 C2 87 TRP HD1 HP 0.115000 1.0080 0 2581 C2 87 TRP NE1 NY -0.610000 14.0070 0 2582 C2 87 TRP HE1 H 0.380000 1.0080 0 2583 C2 87 TRP CE2 CPT 0.130000 12.0110 0 2584 C2 87 TRP CD2 CPT -0.020000 12.0110 0 2585 C2 87 TRP CE3 CA -0.115000 12.0110 0 2586 C2 87 TRP HE3 HP 0.115000 1.0080 0 2587 C2 87 TRP CZ3 CA -0.115000 12.0110 0 2588 C2 87 TRP HZ3 HP 0.115000 1.0080 0 2589 C2 87 TRP CZ2 CA -0.115000 12.0110 0 2590 C2 87 TRP HZ2 HP 0.115000 1.0080 0 2591 C2 87 TRP CH2 CA -0.115000 12.0110 0 2592 C2 87 TRP HH2 HP 0.115000 1.0080 0 2593 C2 87 TRP C C 0.510000 12.0110 0 2594 C2 87 TRP O O -0.510000 15.9990 0 2595 C2 88 GLY N NH1 -0.470000 14.0070 0 2596 C2 88 GLY HN H 0.310000 1.0080 0 2597 C2 88 GLY CA CT2 -0.020000 12.0110 0 2598 C2 88 GLY HA1 HB 0.090000 1.0080 0 2599 C2 88 GLY HA2 HB 0.090000 1.0080 0 2600 C2 88 GLY C C 0.510000 12.0110 0 2601 C2 88 GLY O O -0.510000 15.9990 0 2602 C2 89 ARG N NH1 -0.470000 14.0070 0 2603 C2 89 ARG HN H 0.310000 1.0080 0 2604 C2 89 ARG CA CT1 0.070000 12.0110 0 2605 C2 89 ARG HA HB 0.090000 1.0080 0 2606 C2 89 ARG CB CT2 -0.180000 12.0110 0 2607 C2 89 ARG HB1 HA 0.090000 1.0080 0 2608 C2 89 ARG HB2 HA 0.090000 1.0080 0 2609 C2 89 ARG CG CT2 -0.180000 12.0110 0 2610 C2 89 ARG HG1 HA 0.090000 1.0080 0 2611 C2 89 ARG HG2 HA 0.090000 1.0080 0 2612 C2 89 ARG CD CT2 0.200000 12.0110 0 2613 C2 89 ARG HD1 HA 0.090000 1.0080 0 2614 C2 89 ARG HD2 HA 0.090000 1.0080 0 2615 C2 89 ARG NE NC2 -0.700000 14.0070 0 2616 C2 89 ARG HE HC 0.440000 1.0080 0 2617 C2 89 ARG CZ C 0.640000 12.0110 0 2618 C2 89 ARG NH1 NC2 -0.800000 14.0070 0 2619 C2 89 ARG HH11 HC 0.460000 1.0080 0 2620 C2 89 ARG HH12 HC 0.460000 1.0080 0 2621 C2 89 ARG NH2 NC2 -0.800000 14.0070 0 2622 C2 89 ARG HH21 HC 0.460000 1.0080 0 2623 C2 89 ARG HH22 HC 0.460000 1.0080 0 2624 C2 89 ARG C C 0.510000 12.0110 0 2625 C2 89 ARG O O -0.510000 15.9990 0 2626 C2 90 CYS N NH1 -0.470000 14.0070 0 2627 C2 90 CYS HN H 0.310000 1.0080 0 2628 C2 90 CYS CA CT1 0.070000 12.0110 0 2629 C2 90 CYS HA HB 0.090000 1.0080 0 2630 C2 90 CYS CB CT2 -0.110000 12.0110 0 2631 C2 90 CYS HB1 HA 0.090000 1.0080 0 2632 C2 90 CYS HB2 HA 0.090000 1.0080 0 2633 C2 90 CYS SG S -0.230000 32.0600 0 2634 C2 90 CYS HG1 HS 0.160000 1.0080 0 2635 C2 90 CYS C C 0.510000 12.0110 0 2636 C2 90 CYS O O -0.510000 15.9990 0 2637 C2 91 VAL N NH1 -0.470000 14.0070 0 2638 C2 91 VAL HN H 0.310000 1.0080 0 2639 C2 91 VAL CA CT1 0.070000 12.0110 0 2640 C2 91 VAL HA HB 0.090000 1.0080 0 2641 C2 91 VAL CB CT1 -0.090000 12.0110 0 2642 C2 91 VAL HB HA 0.090000 1.0080 0 2643 C2 91 VAL CG1 CT3 -0.270000 12.0110 0 2644 C2 91 VAL HG11 HA 0.090000 1.0080 0 2645 C2 91 VAL HG12 HA 0.090000 1.0080 0 2646 C2 91 VAL HG13 HA 0.090000 1.0080 0 2647 C2 91 VAL CG2 CT3 -0.270000 12.0110 0 2648 C2 91 VAL HG21 HA 0.090000 1.0080 0 2649 C2 91 VAL HG22 HA 0.090000 1.0080 0 2650 C2 91 VAL HG23 HA 0.090000 1.0080 0 2651 C2 91 VAL C C 0.510000 12.0110 0 2652 C2 91 VAL O O -0.510000 15.9990 0 2653 C2 92 ALA N NH1 -0.470000 14.0070 0 2654 C2 92 ALA HN H 0.310000 1.0080 0 2655 C2 92 ALA CA CT1 0.070000 12.0110 0 2656 C2 92 ALA HA HB 0.090000 1.0080 0 2657 C2 92 ALA CB CT3 -0.270000 12.0110 0 2658 C2 92 ALA HB1 HA 0.090000 1.0080 0 2659 C2 92 ALA HB2 HA 0.090000 1.0080 0 2660 C2 92 ALA HB3 HA 0.090000 1.0080 0 2661 C2 92 ALA C C 0.510000 12.0110 0 2662 C2 92 ALA O O -0.510000 15.9990 0 2663 C2 93 VAL N NH1 -0.470000 14.0070 0 2664 C2 93 VAL HN H 0.310000 1.0080 0 2665 C2 93 VAL CA CT1 0.070000 12.0110 0 2666 C2 93 VAL HA HB 0.090000 1.0080 0 2667 C2 93 VAL CB CT1 -0.090000 12.0110 0 2668 C2 93 VAL HB HA 0.090000 1.0080 0 2669 C2 93 VAL CG1 CT3 -0.270000 12.0110 0 2670 C2 93 VAL HG11 HA 0.090000 1.0080 0 2671 C2 93 VAL HG12 HA 0.090000 1.0080 0 2672 C2 93 VAL HG13 HA 0.090000 1.0080 0 2673 C2 93 VAL CG2 CT3 -0.270000 12.0110 0 2674 C2 93 VAL HG21 HA 0.090000 1.0080 0 2675 C2 93 VAL HG22 HA 0.090000 1.0080 0 2676 C2 93 VAL HG23 HA 0.090000 1.0080 0 2677 C2 93 VAL C C 0.510000 12.0110 0 2678 C2 93 VAL O O -0.510000 15.9990 0 2679 C2 94 VAL N NH1 -0.470000 14.0070 0 2680 C2 94 VAL HN H 0.310000 1.0080 0 2681 C2 94 VAL CA CT1 0.070000 12.0110 0 2682 C2 94 VAL HA HB 0.090000 1.0080 0 2683 C2 94 VAL CB CT1 -0.090000 12.0110 0 2684 C2 94 VAL HB HA 0.090000 1.0080 0 2685 C2 94 VAL CG1 CT3 -0.270000 12.0110 0 2686 C2 94 VAL HG11 HA 0.090000 1.0080 0 2687 C2 94 VAL HG12 HA 0.090000 1.0080 0 2688 C2 94 VAL HG13 HA 0.090000 1.0080 0 2689 C2 94 VAL CG2 CT3 -0.270000 12.0110 0 2690 C2 94 VAL HG21 HA 0.090000 1.0080 0 2691 C2 94 VAL HG22 HA 0.090000 1.0080 0 2692 C2 94 VAL HG23 HA 0.090000 1.0080 0 2693 C2 94 VAL C C 0.510000 12.0110 0 2694 C2 94 VAL O O -0.510000 15.9990 0 2695 C2 95 VAL N NH1 -0.470000 14.0070 0 2696 C2 95 VAL HN H 0.310000 1.0080 0 2697 C2 95 VAL CA CT1 0.070000 12.0110 0 2698 C2 95 VAL HA HB 0.090000 1.0080 0 2699 C2 95 VAL CB CT1 -0.090000 12.0110 0 2700 C2 95 VAL HB HA 0.090000 1.0080 0 2701 C2 95 VAL CG1 CT3 -0.270000 12.0110 0 2702 C2 95 VAL HG11 HA 0.090000 1.0080 0 2703 C2 95 VAL HG12 HA 0.090000 1.0080 0 2704 C2 95 VAL HG13 HA 0.090000 1.0080 0 2705 C2 95 VAL CG2 CT3 -0.270000 12.0110 0 2706 C2 95 VAL HG21 HA 0.090000 1.0080 0 2707 C2 95 VAL HG22 HA 0.090000 1.0080 0 2708 C2 95 VAL HG23 HA 0.090000 1.0080 0 2709 C2 95 VAL C C 0.510000 12.0110 0 2710 C2 95 VAL O O -0.510000 15.9990 0 2711 C2 96 MET N NH1 -0.470000 14.0070 0 2712 C2 96 MET HN H 0.310000 1.0080 0 2713 C2 96 MET CA CT1 0.070000 12.0110 0 2714 C2 96 MET HA HB 0.090000 1.0080 0 2715 C2 96 MET CB CT2 -0.180000 12.0110 0 2716 C2 96 MET HB1 HA 0.090000 1.0080 0 2717 C2 96 MET HB2 HA 0.090000 1.0080 0 2718 C2 96 MET CG CT2 -0.140000 12.0110 0 2719 C2 96 MET HG1 HA 0.090000 1.0080 0 2720 C2 96 MET HG2 HA 0.090000 1.0080 0 2721 C2 96 MET SD S -0.090000 32.0600 0 2722 C2 96 MET CE CT3 -0.220000 12.0110 0 2723 C2 96 MET HE1 HA 0.090000 1.0080 0 2724 C2 96 MET HE2 HA 0.090000 1.0080 0 2725 C2 96 MET HE3 HA 0.090000 1.0080 0 2726 C2 96 MET C C 0.510000 12.0110 0 2727 C2 96 MET O O -0.510000 15.9990 0 2728 C2 97 VAL N NH1 -0.470000 14.0070 0 2729 C2 97 VAL HN H 0.310000 1.0080 0 2730 C2 97 VAL CA CT1 0.070000 12.0110 0 2731 C2 97 VAL HA HB 0.090000 1.0080 0 2732 C2 97 VAL CB CT1 -0.090000 12.0110 0 2733 C2 97 VAL HB HA 0.090000 1.0080 0 2734 C2 97 VAL CG1 CT3 -0.270000 12.0110 0 2735 C2 97 VAL HG11 HA 0.090000 1.0080 0 2736 C2 97 VAL HG12 HA 0.090000 1.0080 0 2737 C2 97 VAL HG13 HA 0.090000 1.0080 0 2738 C2 97 VAL CG2 CT3 -0.270000 12.0110 0 2739 C2 97 VAL HG21 HA 0.090000 1.0080 0 2740 C2 97 VAL HG22 HA 0.090000 1.0080 0 2741 C2 97 VAL HG23 HA 0.090000 1.0080 0 2742 C2 97 VAL C C 0.510000 12.0110 0 2743 C2 97 VAL O O -0.510000 15.9990 0 2744 C2 98 ALA N NH1 -0.470000 14.0070 0 2745 C2 98 ALA HN H 0.310000 1.0080 0 2746 C2 98 ALA CA CT1 0.070000 12.0110 0 2747 C2 98 ALA HA HB 0.090000 1.0080 0 2748 C2 98 ALA CB CT3 -0.270000 12.0110 0 2749 C2 98 ALA HB1 HA 0.090000 1.0080 0 2750 C2 98 ALA HB2 HA 0.090000 1.0080 0 2751 C2 98 ALA HB3 HA 0.090000 1.0080 0 2752 C2 98 ALA C C 0.510000 12.0110 0 2753 C2 98 ALA O O -0.510000 15.9990 0 2754 C2 99 GLY N NH1 -0.470000 14.0070 0 2755 C2 99 GLY HN H 0.310000 1.0080 0 2756 C2 99 GLY CA CT2 -0.020000 12.0110 0 2757 C2 99 GLY HA1 HB 0.090000 1.0080 0 2758 C2 99 GLY HA2 HB 0.090000 1.0080 0 2759 C2 99 GLY C C 0.510000 12.0110 0 2760 C2 99 GLY O O -0.510000 15.9990 0 2761 C2 100 ILE N NH1 -0.470000 14.0070 0 2762 C2 100 ILE HN H 0.310000 1.0080 0 2763 C2 100 ILE CA CT1 0.070000 12.0110 0 2764 C2 100 ILE HA HB 0.090000 1.0080 0 2765 C2 100 ILE CB CT1 -0.090000 12.0110 0 2766 C2 100 ILE HB HA 0.090000 1.0080 0 2767 C2 100 ILE CG2 CT3 -0.270000 12.0110 0 2768 C2 100 ILE HG21 HA 0.090000 1.0080 0 2769 C2 100 ILE HG22 HA 0.090000 1.0080 0 2770 C2 100 ILE HG23 HA 0.090000 1.0080 0 2771 C2 100 ILE CG1 CT2 -0.180000 12.0110 0 2772 C2 100 ILE HG11 HA 0.090000 1.0080 0 2773 C2 100 ILE HG12 HA 0.090000 1.0080 0 2774 C2 100 ILE CD CT3 -0.270000 12.0110 0 2775 C2 100 ILE HD1 HA 0.090000 1.0080 0 2776 C2 100 ILE HD2 HA 0.090000 1.0080 0 2777 C2 100 ILE HD3 HA 0.090000 1.0080 0 2778 C2 100 ILE C C 0.510000 12.0110 0 2779 C2 100 ILE O O -0.510000 15.9990 0 2780 C2 101 THR N NH1 -0.470000 14.0070 0 2781 C2 101 THR HN H 0.310000 1.0080 0 2782 C2 101 THR CA CT1 0.070000 12.0110 0 2783 C2 101 THR HA HB 0.090000 1.0080 0 2784 C2 101 THR CB CT1 0.140000 12.0110 0 2785 C2 101 THR HB HA 0.090000 1.0080 0 2786 C2 101 THR OG1 OH1 -0.660000 15.9990 0 2787 C2 101 THR HG1 H 0.430000 1.0080 0 2788 C2 101 THR CG2 CT3 -0.270000 12.0110 0 2789 C2 101 THR HG21 HA 0.090000 1.0080 0 2790 C2 101 THR HG22 HA 0.090000 1.0080 0 2791 C2 101 THR HG23 HA 0.090000 1.0080 0 2792 C2 101 THR C C 0.510000 12.0110 0 2793 C2 101 THR O O -0.510000 15.9990 0 2794 C2 102 SER N NH1 -0.470000 14.0070 0 2795 C2 102 SER HN H 0.310000 1.0080 0 2796 C2 102 SER CA CT1 0.070000 12.0110 0 2797 C2 102 SER HA HB 0.090000 1.0080 0 2798 C2 102 SER CB CT2 0.050000 12.0110 0 2799 C2 102 SER HB1 HA 0.090000 1.0080 0 2800 C2 102 SER HB2 HA 0.090000 1.0080 0 2801 C2 102 SER OG OH1 -0.660000 15.9990 0 2802 C2 102 SER HG1 H 0.430000 1.0080 0 2803 C2 102 SER C C 0.510000 12.0110 0 2804 C2 102 SER O O -0.510000 15.9990 0 2805 C2 103 PHE N NH1 -0.470000 14.0070 0 2806 C2 103 PHE HN H 0.310000 1.0080 0 2807 C2 103 PHE CA CT1 0.070000 12.0110 0 2808 C2 103 PHE HA HB 0.090000 1.0080 0 2809 C2 103 PHE CB CT2 -0.180000 12.0110 0 2810 C2 103 PHE HB1 HA 0.090000 1.0080 0 2811 C2 103 PHE HB2 HA 0.090000 1.0080 0 2812 C2 103 PHE CG CA 0.000000 12.0110 0 2813 C2 103 PHE CD1 CA -0.115000 12.0110 0 2814 C2 103 PHE HD1 HP 0.115000 1.0080 0 2815 C2 103 PHE CE1 CA -0.115000 12.0110 0 2816 C2 103 PHE HE1 HP 0.115000 1.0080 0 2817 C2 103 PHE CZ CA -0.115000 12.0110 0 2818 C2 103 PHE HZ HP 0.115000 1.0080 0 2819 C2 103 PHE CD2 CA -0.115000 12.0110 0 2820 C2 103 PHE HD2 HP 0.115000 1.0080 0 2821 C2 103 PHE CE2 CA -0.115000 12.0110 0 2822 C2 103 PHE HE2 HP 0.115000 1.0080 0 2823 C2 103 PHE C C 0.510000 12.0110 0 2824 C2 103 PHE O O -0.510000 15.9990 0 2825 C2 104 GLY N NH1 -0.470000 14.0070 0 2826 C2 104 GLY HN H 0.310000 1.0080 0 2827 C2 104 GLY CA CT2 -0.020000 12.0110 0 2828 C2 104 GLY HA1 HB 0.090000 1.0080 0 2829 C2 104 GLY HA2 HB 0.090000 1.0080 0 2830 C2 104 GLY C C 0.510000 12.0110 0 2831 C2 104 GLY O O -0.510000 15.9990 0 2832 C2 105 LEU N NH1 -0.470000 14.0070 0 2833 C2 105 LEU HN H 0.310000 1.0080 0 2834 C2 105 LEU CA CT1 0.070000 12.0110 0 2835 C2 105 LEU HA HB 0.090000 1.0080 0 2836 C2 105 LEU CB CT2 -0.180000 12.0110 0 2837 C2 105 LEU HB1 HA 0.090000 1.0080 0 2838 C2 105 LEU HB2 HA 0.090000 1.0080 0 2839 C2 105 LEU CG CT1 -0.090000 12.0110 0 2840 C2 105 LEU HG HA 0.090000 1.0080 0 2841 C2 105 LEU CD1 CT3 -0.270000 12.0110 0 2842 C2 105 LEU HD11 HA 0.090000 1.0080 0 2843 C2 105 LEU HD12 HA 0.090000 1.0080 0 2844 C2 105 LEU HD13 HA 0.090000 1.0080 0 2845 C2 105 LEU CD2 CT3 -0.270000 12.0110 0 2846 C2 105 LEU HD21 HA 0.090000 1.0080 0 2847 C2 105 LEU HD22 HA 0.090000 1.0080 0 2848 C2 105 LEU HD23 HA 0.090000 1.0080 0 2849 C2 105 LEU C C 0.510000 12.0110 0 2850 C2 105 LEU O O -0.510000 15.9990 0 2851 C2 106 VAL N NH1 -0.470000 14.0070 0 2852 C2 106 VAL HN H 0.310000 1.0080 0 2853 C2 106 VAL CA CT1 0.070000 12.0110 0 2854 C2 106 VAL HA HB 0.090000 1.0080 0 2855 C2 106 VAL CB CT1 -0.090000 12.0110 0 2856 C2 106 VAL HB HA 0.090000 1.0080 0 2857 C2 106 VAL CG1 CT3 -0.270000 12.0110 0 2858 C2 106 VAL HG11 HA 0.090000 1.0080 0 2859 C2 106 VAL HG12 HA 0.090000 1.0080 0 2860 C2 106 VAL HG13 HA 0.090000 1.0080 0 2861 C2 106 VAL CG2 CT3 -0.270000 12.0110 0 2862 C2 106 VAL HG21 HA 0.090000 1.0080 0 2863 C2 106 VAL HG22 HA 0.090000 1.0080 0 2864 C2 106 VAL HG23 HA 0.090000 1.0080 0 2865 C2 106 VAL C C 0.510000 12.0110 0 2866 C2 106 VAL O O -0.510000 15.9990 0 2867 C2 107 THR N NH1 -0.470000 14.0070 0 2868 C2 107 THR HN H 0.310000 1.0080 0 2869 C2 107 THR CA CT1 0.070000 12.0110 0 2870 C2 107 THR HA HB 0.090000 1.0080 0 2871 C2 107 THR CB CT1 0.140000 12.0110 0 2872 C2 107 THR HB HA 0.090000 1.0080 0 2873 C2 107 THR OG1 OH1 -0.660000 15.9990 0 2874 C2 107 THR HG1 H 0.430000 1.0080 0 2875 C2 107 THR CG2 CT3 -0.270000 12.0110 0 2876 C2 107 THR HG21 HA 0.090000 1.0080 0 2877 C2 107 THR HG22 HA 0.090000 1.0080 0 2878 C2 107 THR HG23 HA 0.090000 1.0080 0 2879 C2 107 THR C C 0.510000 12.0110 0 2880 C2 107 THR O O -0.510000 15.9990 0 2881 C2 108 ALA N NH1 -0.470000 14.0070 0 2882 C2 108 ALA HN H 0.310000 1.0080 0 2883 C2 108 ALA CA CT1 0.070000 12.0110 0 2884 C2 108 ALA HA HB 0.090000 1.0080 0 2885 C2 108 ALA CB CT3 -0.270000 12.0110 0 2886 C2 108 ALA HB1 HA 0.090000 1.0080 0 2887 C2 108 ALA HB2 HA 0.090000 1.0080 0 2888 C2 108 ALA HB3 HA 0.090000 1.0080 0 2889 C2 108 ALA C C 0.510000 12.0110 0 2890 C2 108 ALA O O -0.510000 15.9990 0 2891 C2 109 ALA N NH1 -0.470000 14.0070 0 2892 C2 109 ALA HN H 0.310000 1.0080 0 2893 C2 109 ALA CA CT1 0.070000 12.0110 0 2894 C2 109 ALA HA HB 0.090000 1.0080 0 2895 C2 109 ALA CB CT3 -0.270000 12.0110 0 2896 C2 109 ALA HB1 HA 0.090000 1.0080 0 2897 C2 109 ALA HB2 HA 0.090000 1.0080 0 2898 C2 109 ALA HB3 HA 0.090000 1.0080 0 2899 C2 109 ALA C C 0.510000 12.0110 0 2900 C2 109 ALA O O -0.510000 15.9990 0 2901 C2 110 LEU N NH1 -0.470000 14.0070 0 2902 C2 110 LEU HN H 0.310000 1.0080 0 2903 C2 110 LEU CA CT1 0.070000 12.0110 0 2904 C2 110 LEU HA HB 0.090000 1.0080 0 2905 C2 110 LEU CB CT2 -0.180000 12.0110 0 2906 C2 110 LEU HB1 HA 0.090000 1.0080 0 2907 C2 110 LEU HB2 HA 0.090000 1.0080 0 2908 C2 110 LEU CG CT1 -0.090000 12.0110 0 2909 C2 110 LEU HG HA 0.090000 1.0080 0 2910 C2 110 LEU CD1 CT3 -0.270000 12.0110 0 2911 C2 110 LEU HD11 HA 0.090000 1.0080 0 2912 C2 110 LEU HD12 HA 0.090000 1.0080 0 2913 C2 110 LEU HD13 HA 0.090000 1.0080 0 2914 C2 110 LEU CD2 CT3 -0.270000 12.0110 0 2915 C2 110 LEU HD21 HA 0.090000 1.0080 0 2916 C2 110 LEU HD22 HA 0.090000 1.0080 0 2917 C2 110 LEU HD23 HA 0.090000 1.0080 0 2918 C2 110 LEU C C 0.510000 12.0110 0 2919 C2 110 LEU O O -0.510000 15.9990 0 2920 C2 111 ALA N NH1 -0.470000 14.0070 0 2921 C2 111 ALA HN H 0.310000 1.0080 0 2922 C2 111 ALA CA CT1 0.070000 12.0110 0 2923 C2 111 ALA HA HB 0.090000 1.0080 0 2924 C2 111 ALA CB CT3 -0.270000 12.0110 0 2925 C2 111 ALA HB1 HA 0.090000 1.0080 0 2926 C2 111 ALA HB2 HA 0.090000 1.0080 0 2927 C2 111 ALA HB3 HA 0.090000 1.0080 0 2928 C2 111 ALA C C 0.510000 12.0110 0 2929 C2 111 ALA O O -0.510000 15.9990 0 2930 C2 112 THR N NH1 -0.470000 14.0070 0 2931 C2 112 THR HN H 0.310000 1.0080 0 2932 C2 112 THR CA CT1 0.070000 12.0110 0 2933 C2 112 THR HA HB 0.090000 1.0080 0 2934 C2 112 THR CB CT1 0.140000 12.0110 0 2935 C2 112 THR HB HA 0.090000 1.0080 0 2936 C2 112 THR OG1 OH1 -0.660000 15.9990 0 2937 C2 112 THR HG1 H 0.430000 1.0080 0 2938 C2 112 THR CG2 CT3 -0.270000 12.0110 0 2939 C2 112 THR HG21 HA 0.090000 1.0080 0 2940 C2 112 THR HG22 HA 0.090000 1.0080 0 2941 C2 112 THR HG23 HA 0.090000 1.0080 0 2942 C2 112 THR C C 0.510000 12.0110 0 2943 C2 112 THR O O -0.510000 15.9990 0 2944 C2 113 TRP N NH1 -0.470000 14.0070 0 2945 C2 113 TRP HN H 0.310000 1.0080 0 2946 C2 113 TRP CA CT1 0.070000 12.0110 0 2947 C2 113 TRP HA HB 0.090000 1.0080 0 2948 C2 113 TRP CB CT2 -0.180000 12.0110 0 2949 C2 113 TRP HB1 HA 0.090000 1.0080 0 2950 C2 113 TRP HB2 HA 0.090000 1.0080 0 2951 C2 113 TRP CG CY -0.030000 12.0110 0 2952 C2 113 TRP CD1 CA 0.035000 12.0110 0 2953 C2 113 TRP HD1 HP 0.115000 1.0080 0 2954 C2 113 TRP NE1 NY -0.610000 14.0070 0 2955 C2 113 TRP HE1 H 0.380000 1.0080 0 2956 C2 113 TRP CE2 CPT 0.130000 12.0110 0 2957 C2 113 TRP CD2 CPT -0.020000 12.0110 0 2958 C2 113 TRP CE3 CA -0.115000 12.0110 0 2959 C2 113 TRP HE3 HP 0.115000 1.0080 0 2960 C2 113 TRP CZ3 CA -0.115000 12.0110 0 2961 C2 113 TRP HZ3 HP 0.115000 1.0080 0 2962 C2 113 TRP CZ2 CA -0.115000 12.0110 0 2963 C2 113 TRP HZ2 HP 0.115000 1.0080 0 2964 C2 113 TRP CH2 CA -0.115000 12.0110 0 2965 C2 113 TRP HH2 HP 0.115000 1.0080 0 2966 C2 113 TRP C C 0.510000 12.0110 0 2967 C2 113 TRP O O -0.510000 15.9990 0 2968 C2 114 PHE N NH1 -0.470000 14.0070 0 2969 C2 114 PHE HN H 0.310000 1.0080 0 2970 C2 114 PHE CA CT1 0.070000 12.0110 0 2971 C2 114 PHE HA HB 0.090000 1.0080 0 2972 C2 114 PHE CB CT2 -0.180000 12.0110 0 2973 C2 114 PHE HB1 HA 0.090000 1.0080 0 2974 C2 114 PHE HB2 HA 0.090000 1.0080 0 2975 C2 114 PHE CG CA 0.000000 12.0110 0 2976 C2 114 PHE CD1 CA -0.115000 12.0110 0 2977 C2 114 PHE HD1 HP 0.115000 1.0080 0 2978 C2 114 PHE CE1 CA -0.115000 12.0110 0 2979 C2 114 PHE HE1 HP 0.115000 1.0080 0 2980 C2 114 PHE CZ CA -0.115000 12.0110 0 2981 C2 114 PHE HZ HP 0.115000 1.0080 0 2982 C2 114 PHE CD2 CA -0.115000 12.0110 0 2983 C2 114 PHE HD2 HP 0.115000 1.0080 0 2984 C2 114 PHE CE2 CA -0.115000 12.0110 0 2985 C2 114 PHE HE2 HP 0.115000 1.0080 0 2986 C2 114 PHE C C 0.510000 12.0110 0 2987 C2 114 PHE O O -0.510000 15.9990 0 2988 C2 115 VAL N NH1 -0.470000 14.0070 0 2989 C2 115 VAL HN H 0.310000 1.0080 0 2990 C2 115 VAL CA CT1 0.070000 12.0110 0 2991 C2 115 VAL HA HB 0.090000 1.0080 0 2992 C2 115 VAL CB CT1 -0.090000 12.0110 0 2993 C2 115 VAL HB HA 0.090000 1.0080 0 2994 C2 115 VAL CG1 CT3 -0.270000 12.0110 0 2995 C2 115 VAL HG11 HA 0.090000 1.0080 0 2996 C2 115 VAL HG12 HA 0.090000 1.0080 0 2997 C2 115 VAL HG13 HA 0.090000 1.0080 0 2998 C2 115 VAL CG2 CT3 -0.270000 12.0110 0 2999 C2 115 VAL HG21 HA 0.090000 1.0080 0 3000 C2 115 VAL HG22 HA 0.090000 1.0080 0 3001 C2 115 VAL HG23 HA 0.090000 1.0080 0 3002 C2 115 VAL C C 0.510000 12.0110 0 3003 C2 115 VAL O O -0.510000 15.9990 0 3004 C2 116 GLY N NH1 -0.470000 14.0070 0 3005 C2 116 GLY HN H 0.310000 1.0080 0 3006 C2 116 GLY CA CT2 -0.020000 12.0110 0 3007 C2 116 GLY HA1 HB 0.090000 1.0080 0 3008 C2 116 GLY HA2 HB 0.090000 1.0080 0 3009 C2 116 GLY C C 0.510000 12.0110 0 3010 C2 116 GLY O O -0.510000 15.9990 0 3011 C2 117 ARG N NH1 -0.470000 14.0070 0 3012 C2 117 ARG HN H 0.310000 1.0080 0 3013 C2 117 ARG CA CT1 0.070000 12.0110 0 3014 C2 117 ARG HA HB 0.090000 1.0080 0 3015 C2 117 ARG CB CT2 -0.180000 12.0110 0 3016 C2 117 ARG HB1 HA 0.090000 1.0080 0 3017 C2 117 ARG HB2 HA 0.090000 1.0080 0 3018 C2 117 ARG CG CT2 -0.180000 12.0110 0 3019 C2 117 ARG HG1 HA 0.090000 1.0080 0 3020 C2 117 ARG HG2 HA 0.090000 1.0080 0 3021 C2 117 ARG CD CT2 0.200000 12.0110 0 3022 C2 117 ARG HD1 HA 0.090000 1.0080 0 3023 C2 117 ARG HD2 HA 0.090000 1.0080 0 3024 C2 117 ARG NE NC2 -0.700000 14.0070 0 3025 C2 117 ARG HE HC 0.440000 1.0080 0 3026 C2 117 ARG CZ C 0.640000 12.0110 0 3027 C2 117 ARG NH1 NC2 -0.800000 14.0070 0 3028 C2 117 ARG HH11 HC 0.460000 1.0080 0 3029 C2 117 ARG HH12 HC 0.460000 1.0080 0 3030 C2 117 ARG NH2 NC2 -0.800000 14.0070 0 3031 C2 117 ARG HH21 HC 0.460000 1.0080 0 3032 C2 117 ARG HH22 HC 0.460000 1.0080 0 3033 C2 117 ARG C C 0.510000 12.0110 0 3034 C2 117 ARG O O -0.510000 15.9990 0 3035 C2 118 GLU N NH1 -0.470000 14.0070 0 3036 C2 118 GLU HN H 0.310000 1.0080 0 3037 C2 118 GLU CA CT1 0.070000 12.0110 0 3038 C2 118 GLU HA HB 0.090000 1.0080 0 3039 C2 118 GLU CB CT2 -0.180000 12.0110 0 3040 C2 118 GLU HB1 HA 0.090000 1.0080 0 3041 C2 118 GLU HB2 HA 0.090000 1.0080 0 3042 C2 118 GLU CG CT2 -0.280000 12.0110 0 3043 C2 118 GLU HG1 HA 0.090000 1.0080 0 3044 C2 118 GLU HG2 HA 0.090000 1.0080 0 3045 C2 118 GLU CD CC 0.620000 12.0110 0 3046 C2 118 GLU OE1 OC -0.760000 15.9990 0 3047 C2 118 GLU OE2 OC -0.760000 15.9990 0 3048 C2 118 GLU C C 0.510000 12.0110 0 3049 C2 118 GLU O O -0.510000 15.9990 0 3050 C2 119 GLN N NH1 -0.470000 14.0070 0 3051 C2 119 GLN HN H 0.310000 1.0080 0 3052 C2 119 GLN CA CT1 0.070000 12.0110 0 3053 C2 119 GLN HA HB 0.090000 1.0080 0 3054 C2 119 GLN CB CT2 -0.180000 12.0110 0 3055 C2 119 GLN HB1 HA 0.090000 1.0080 0 3056 C2 119 GLN HB2 HA 0.090000 1.0080 0 3057 C2 119 GLN CG CT2 -0.180000 12.0110 0 3058 C2 119 GLN HG1 HA 0.090000 1.0080 0 3059 C2 119 GLN HG2 HA 0.090000 1.0080 0 3060 C2 119 GLN CD CC 0.550000 12.0110 0 3061 C2 119 GLN OE1 O -0.550000 15.9990 0 3062 C2 119 GLN NE2 NH2 -0.620000 14.0070 0 3063 C2 119 GLN HE21 H 0.320000 1.0080 0 3064 C2 119 GLN HE22 H 0.300000 1.0080 0 3065 C2 119 GLN C C 0.510000 12.0110 0 3066 C2 119 GLN O O -0.510000 15.9990 0 3067 C2 120 GLU N NH1 -0.470000 14.0070 0 3068 C2 120 GLU HN H 0.310000 1.0080 0 3069 C2 120 GLU CA CT1 0.070000 12.0110 0 3070 C2 120 GLU HA HB 0.090000 1.0080 0 3071 C2 120 GLU CB CT2 -0.180000 12.0110 0 3072 C2 120 GLU HB1 HA 0.090000 1.0080 0 3073 C2 120 GLU HB2 HA 0.090000 1.0080 0 3074 C2 120 GLU CG CT2 -0.280000 12.0110 0 3075 C2 120 GLU HG1 HA 0.090000 1.0080 0 3076 C2 120 GLU HG2 HA 0.090000 1.0080 0 3077 C2 120 GLU CD CC 0.620000 12.0110 0 3078 C2 120 GLU OE1 OC -0.760000 15.9990 0 3079 C2 120 GLU OE2 OC -0.760000 15.9990 0 3080 C2 120 GLU C C 0.510000 12.0110 0 3081 C2 120 GLU O O -0.510000 15.9990 0 3082 C2 121 ARG N NH1 -0.470000 14.0070 0 3083 C2 121 ARG HN H 0.310000 1.0080 0 3084 C2 121 ARG CA CT1 0.070000 12.0110 0 3085 C2 121 ARG HA HB 0.090000 1.0080 0 3086 C2 121 ARG CB CT2 -0.180000 12.0110 0 3087 C2 121 ARG HB1 HA 0.090000 1.0080 0 3088 C2 121 ARG HB2 HA 0.090000 1.0080 0 3089 C2 121 ARG CG CT2 -0.180000 12.0110 0 3090 C2 121 ARG HG1 HA 0.090000 1.0080 0 3091 C2 121 ARG HG2 HA 0.090000 1.0080 0 3092 C2 121 ARG CD CT2 0.200000 12.0110 0 3093 C2 121 ARG HD1 HA 0.090000 1.0080 0 3094 C2 121 ARG HD2 HA 0.090000 1.0080 0 3095 C2 121 ARG NE NC2 -0.700000 14.0070 0 3096 C2 121 ARG HE HC 0.440000 1.0080 0 3097 C2 121 ARG CZ C 0.640000 12.0110 0 3098 C2 121 ARG NH1 NC2 -0.800000 14.0070 0 3099 C2 121 ARG HH11 HC 0.460000 1.0080 0 3100 C2 121 ARG HH12 HC 0.460000 1.0080 0 3101 C2 121 ARG NH2 NC2 -0.800000 14.0070 0 3102 C2 121 ARG HH21 HC 0.460000 1.0080 0 3103 C2 121 ARG HH22 HC 0.460000 1.0080 0 3104 C2 121 ARG C C 0.510000 12.0110 0 3105 C2 121 ARG O O -0.510000 15.9990 0 3106 C2 122 ARG N NH1 -0.470000 14.0070 0 3107 C2 122 ARG HN H 0.310000 1.0080 0 3108 C2 122 ARG CA CT1 0.070000 12.0110 0 3109 C2 122 ARG HA HB 0.090000 1.0080 0 3110 C2 122 ARG CB CT2 -0.180000 12.0110 0 3111 C2 122 ARG HB1 HA 0.090000 1.0080 0 3112 C2 122 ARG HB2 HA 0.090000 1.0080 0 3113 C2 122 ARG CG CT2 -0.180000 12.0110 0 3114 C2 122 ARG HG1 HA 0.090000 1.0080 0 3115 C2 122 ARG HG2 HA 0.090000 1.0080 0 3116 C2 122 ARG CD CT2 0.200000 12.0110 0 3117 C2 122 ARG HD1 HA 0.090000 1.0080 0 3118 C2 122 ARG HD2 HA 0.090000 1.0080 0 3119 C2 122 ARG NE NC2 -0.700000 14.0070 0 3120 C2 122 ARG HE HC 0.440000 1.0080 0 3121 C2 122 ARG CZ C 0.640000 12.0110 0 3122 C2 122 ARG NH1 NC2 -0.800000 14.0070 0 3123 C2 122 ARG HH11 HC 0.460000 1.0080 0 3124 C2 122 ARG HH12 HC 0.460000 1.0080 0 3125 C2 122 ARG NH2 NC2 -0.800000 14.0070 0 3126 C2 122 ARG HH21 HC 0.460000 1.0080 0 3127 C2 122 ARG HH22 HC 0.460000 1.0080 0 3128 C2 122 ARG C C 0.510000 12.0110 0 3129 C2 122 ARG O O -0.510000 15.9990 0 3130 C2 123 GLY N NH1 -0.470000 14.0070 0 3131 C2 123 GLY HN H 0.310000 1.0080 0 3132 C2 123 GLY CA CT2 -0.020000 12.0110 0 3133 C2 123 GLY HA1 HB 0.090000 1.0080 0 3134 C2 123 GLY HA2 HB 0.090000 1.0080 0 3135 C2 123 GLY C C 0.510000 12.0110 0 3136 C2 123 GLY O O -0.510000 15.9990 0 3137 C2 124 HSE C CC 0.340000 12.0110 0 3138 C2 124 HSE OT1 OC -0.670000 15.9990 0 3139 C2 124 HSE OT2 OC -0.670000 15.9990 0 3140 C2 124 HSE N NH1 -0.470000 14.0070 0 3141 C2 124 HSE HN H 0.310000 1.0080 0 3142 C2 124 HSE CA CT1 0.070000 12.0110 0 3143 C2 124 HSE HA HB 0.090000 1.0080 0 3144 C2 124 HSE CB CT2 -0.080000 12.0110 0 3145 C2 124 HSE HB1 HA 0.090000 1.0080 0 3146 C2 124 HSE HB2 HA 0.090000 1.0080 0 3147 C2 124 HSE ND1 NR2 -0.700000 14.0070 0 3148 C2 124 HSE CG CPH1 0.220000 12.0110 0 3149 C2 124 HSE CE1 CPH2 0.250000 12.0110 0 3150 C2 124 HSE HE1 HR1 0.130000 1.0080 0 3151 C2 124 HSE NE2 NR1 -0.360000 14.0070 0 3152 C2 124 HSE HE2 H 0.320000 1.0080 0 3153 C2 124 HSE CD2 CPH1 -0.050000 12.0110 0 3154 C2 124 HSE HD2 HR3 0.090000 1.0080 0 3155 W2 1 TIP3 OH2 OT -0.834000 15.9994 0 3156 W2 1 TIP3 H1 HT 0.417000 1.0080 0 3157 W2 1 TIP3 H2 HT 0.417000 1.0080 0 3158 W2 2 TIP3 OH2 OT -0.834000 15.9994 0 3159 W2 2 TIP3 H1 HT 0.417000 1.0080 0 3160 W2 2 TIP3 H2 HT 0.417000 1.0080 0 3161 W2 4 TIP3 OH2 OT -0.834000 15.9994 0 3162 W2 4 TIP3 H1 HT 0.417000 1.0080 0 3163 W2 4 TIP3 H2 HT 0.417000 1.0080 0 3164 W2 9 TIP3 OH2 OT -0.834000 15.9994 0 3165 W2 9 TIP3 H1 HT 0.417000 1.0080 0 3166 W2 9 TIP3 H2 HT 0.417000 1.0080 0 3167 C3 22 SER N NH3 -0.300000 14.0070 0 3168 C3 22 SER HT1 HC 0.330000 1.0080 0 3169 C3 22 SER HT2 HC 0.330000 1.0080 0 3170 C3 22 SER HT3 HC 0.330000 1.0080 0 3171 C3 22 SER CA CT1 0.210000 12.0110 0 3172 C3 22 SER HA HB 0.100000 1.0080 0 3173 C3 22 SER CB CT2 0.050000 12.0110 0 3174 C3 22 SER HB1 HA 0.090000 1.0080 0 3175 C3 22 SER HB2 HA 0.090000 1.0080 0 3176 C3 22 SER OG OH1 -0.660000 15.9990 0 3177 C3 22 SER HG1 H 0.430000 1.0080 0 3178 C3 22 SER C C 0.510000 12.0110 0 3179 C3 22 SER O O -0.510000 15.9990 0 3180 C3 23 ALA N NH1 -0.470000 14.0070 0 3181 C3 23 ALA HN H 0.310000 1.0080 0 3182 C3 23 ALA CA CT1 0.070000 12.0110 0 3183 C3 23 ALA HA HB 0.090000 1.0080 0 3184 C3 23 ALA CB CT3 -0.270000 12.0110 0 3185 C3 23 ALA HB1 HA 0.090000 1.0080 0 3186 C3 23 ALA HB2 HA 0.090000 1.0080 0 3187 C3 23 ALA HB3 HA 0.090000 1.0080 0 3188 C3 23 ALA C C 0.510000 12.0110 0 3189 C3 23 ALA O O -0.510000 15.9990 0 3190 C3 24 LEU N NH1 -0.470000 14.0070 0 3191 C3 24 LEU HN H 0.310000 1.0080 0 3192 C3 24 LEU CA CT1 0.070000 12.0110 0 3193 C3 24 LEU HA HB 0.090000 1.0080 0 3194 C3 24 LEU CB CT2 -0.180000 12.0110 0 3195 C3 24 LEU HB1 HA 0.090000 1.0080 0 3196 C3 24 LEU HB2 HA 0.090000 1.0080 0 3197 C3 24 LEU CG CT1 -0.090000 12.0110 0 3198 C3 24 LEU HG HA 0.090000 1.0080 0 3199 C3 24 LEU CD1 CT3 -0.270000 12.0110 0 3200 C3 24 LEU HD11 HA 0.090000 1.0080 0 3201 C3 24 LEU HD12 HA 0.090000 1.0080 0 3202 C3 24 LEU HD13 HA 0.090000 1.0080 0 3203 C3 24 LEU CD2 CT3 -0.270000 12.0110 0 3204 C3 24 LEU HD21 HA 0.090000 1.0080 0 3205 C3 24 LEU HD22 HA 0.090000 1.0080 0 3206 C3 24 LEU HD23 HA 0.090000 1.0080 0 3207 C3 24 LEU C C 0.510000 12.0110 0 3208 C3 24 LEU O O -0.510000 15.9990 0 3209 C3 25 HSE N NH1 -0.470000 14.0070 0 3210 C3 25 HSE HN H 0.310000 1.0080 0 3211 C3 25 HSE CA CT1 0.070000 12.0110 0 3212 C3 25 HSE HA HB 0.090000 1.0080 0 3213 C3 25 HSE CB CT2 -0.080000 12.0110 0 3214 C3 25 HSE HB1 HA 0.090000 1.0080 0 3215 C3 25 HSE HB2 HA 0.090000 1.0080 0 3216 C3 25 HSE ND1 NR2 -0.700000 14.0070 0 3217 C3 25 HSE CG CPH1 0.220000 12.0110 0 3218 C3 25 HSE CE1 CPH2 0.250000 12.0110 0 3219 C3 25 HSE HE1 HR1 0.130000 1.0080 0 3220 C3 25 HSE NE2 NR1 -0.360000 14.0070 0 3221 C3 25 HSE HE2 H 0.320000 1.0080 0 3222 C3 25 HSE CD2 CPH1 -0.050000 12.0110 0 3223 C3 25 HSE HD2 HR3 0.090000 1.0080 0 3224 C3 25 HSE C C 0.510000 12.0110 0 3225 C3 25 HSE O O -0.510000 15.9990 0 3226 C3 26 TRP N NH1 -0.470000 14.0070 0 3227 C3 26 TRP HN H 0.310000 1.0080 0 3228 C3 26 TRP CA CT1 0.070000 12.0110 0 3229 C3 26 TRP HA HB 0.090000 1.0080 0 3230 C3 26 TRP CB CT2 -0.180000 12.0110 0 3231 C3 26 TRP HB1 HA 0.090000 1.0080 0 3232 C3 26 TRP HB2 HA 0.090000 1.0080 0 3233 C3 26 TRP CG CY -0.030000 12.0110 0 3234 C3 26 TRP CD1 CA 0.035000 12.0110 0 3235 C3 26 TRP HD1 HP 0.115000 1.0080 0 3236 C3 26 TRP NE1 NY -0.610000 14.0070 0 3237 C3 26 TRP HE1 H 0.380000 1.0080 0 3238 C3 26 TRP CE2 CPT 0.130000 12.0110 0 3239 C3 26 TRP CD2 CPT -0.020000 12.0110 0 3240 C3 26 TRP CE3 CA -0.115000 12.0110 0 3241 C3 26 TRP HE3 HP 0.115000 1.0080 0 3242 C3 26 TRP CZ3 CA -0.115000 12.0110 0 3243 C3 26 TRP HZ3 HP 0.115000 1.0080 0 3244 C3 26 TRP CZ2 CA -0.115000 12.0110 0 3245 C3 26 TRP HZ2 HP 0.115000 1.0080 0 3246 C3 26 TRP CH2 CA -0.115000 12.0110 0 3247 C3 26 TRP HH2 HP 0.115000 1.0080 0 3248 C3 26 TRP C C 0.510000 12.0110 0 3249 C3 26 TRP O O -0.510000 15.9990 0 3250 C3 27 ARG N NH1 -0.470000 14.0070 0 3251 C3 27 ARG HN H 0.310000 1.0080 0 3252 C3 27 ARG CA CT1 0.070000 12.0110 0 3253 C3 27 ARG HA HB 0.090000 1.0080 0 3254 C3 27 ARG CB CT2 -0.180000 12.0110 0 3255 C3 27 ARG HB1 HA 0.090000 1.0080 0 3256 C3 27 ARG HB2 HA 0.090000 1.0080 0 3257 C3 27 ARG CG CT2 -0.180000 12.0110 0 3258 C3 27 ARG HG1 HA 0.090000 1.0080 0 3259 C3 27 ARG HG2 HA 0.090000 1.0080 0 3260 C3 27 ARG CD CT2 0.200000 12.0110 0 3261 C3 27 ARG HD1 HA 0.090000 1.0080 0 3262 C3 27 ARG HD2 HA 0.090000 1.0080 0 3263 C3 27 ARG NE NC2 -0.700000 14.0070 0 3264 C3 27 ARG HE HC 0.440000 1.0080 0 3265 C3 27 ARG CZ C 0.640000 12.0110 0 3266 C3 27 ARG NH1 NC2 -0.800000 14.0070 0 3267 C3 27 ARG HH11 HC 0.460000 1.0080 0 3268 C3 27 ARG HH12 HC 0.460000 1.0080 0 3269 C3 27 ARG NH2 NC2 -0.800000 14.0070 0 3270 C3 27 ARG HH21 HC 0.460000 1.0080 0 3271 C3 27 ARG HH22 HC 0.460000 1.0080 0 3272 C3 27 ARG C C 0.510000 12.0110 0 3273 C3 27 ARG O O -0.510000 15.9990 0 3274 C3 28 ALA N NH1 -0.470000 14.0070 0 3275 C3 28 ALA HN H 0.310000 1.0080 0 3276 C3 28 ALA CA CT1 0.070000 12.0110 0 3277 C3 28 ALA HA HB 0.090000 1.0080 0 3278 C3 28 ALA CB CT3 -0.270000 12.0110 0 3279 C3 28 ALA HB1 HA 0.090000 1.0080 0 3280 C3 28 ALA HB2 HA 0.090000 1.0080 0 3281 C3 28 ALA HB3 HA 0.090000 1.0080 0 3282 C3 28 ALA C C 0.510000 12.0110 0 3283 C3 28 ALA O O -0.510000 15.9990 0 3284 C3 29 ALA N NH1 -0.470000 14.0070 0 3285 C3 29 ALA HN H 0.310000 1.0080 0 3286 C3 29 ALA CA CT1 0.070000 12.0110 0 3287 C3 29 ALA HA HB 0.090000 1.0080 0 3288 C3 29 ALA CB CT3 -0.270000 12.0110 0 3289 C3 29 ALA HB1 HA 0.090000 1.0080 0 3290 C3 29 ALA HB2 HA 0.090000 1.0080 0 3291 C3 29 ALA HB3 HA 0.090000 1.0080 0 3292 C3 29 ALA C C 0.510000 12.0110 0 3293 C3 29 ALA O O -0.510000 15.9990 0 3294 C3 30 GLY N NH1 -0.470000 14.0070 0 3295 C3 30 GLY HN H 0.310000 1.0080 0 3296 C3 30 GLY CA CT2 -0.020000 12.0110 0 3297 C3 30 GLY HA1 HB 0.090000 1.0080 0 3298 C3 30 GLY HA2 HB 0.090000 1.0080 0 3299 C3 30 GLY C C 0.510000 12.0110 0 3300 C3 30 GLY O O -0.510000 15.9990 0 3301 C3 31 ALA N NH1 -0.470000 14.0070 0 3302 C3 31 ALA HN H 0.310000 1.0080 0 3303 C3 31 ALA CA CT1 0.070000 12.0110 0 3304 C3 31 ALA HA HB 0.090000 1.0080 0 3305 C3 31 ALA CB CT3 -0.270000 12.0110 0 3306 C3 31 ALA HB1 HA 0.090000 1.0080 0 3307 C3 31 ALA HB2 HA 0.090000 1.0080 0 3308 C3 31 ALA HB3 HA 0.090000 1.0080 0 3309 C3 31 ALA C C 0.510000 12.0110 0 3310 C3 31 ALA O O -0.510000 15.9990 0 3311 C3 32 ALA N NH1 -0.470000 14.0070 0 3312 C3 32 ALA HN H 0.310000 1.0080 0 3313 C3 32 ALA CA CT1 0.070000 12.0110 0 3314 C3 32 ALA HA HB 0.090000 1.0080 0 3315 C3 32 ALA CB CT3 -0.270000 12.0110 0 3316 C3 32 ALA HB1 HA 0.090000 1.0080 0 3317 C3 32 ALA HB2 HA 0.090000 1.0080 0 3318 C3 32 ALA HB3 HA 0.090000 1.0080 0 3319 C3 32 ALA C C 0.510000 12.0110 0 3320 C3 32 ALA O O -0.510000 15.9990 0 3321 C3 33 THR N NH1 -0.470000 14.0070 0 3322 C3 33 THR HN H 0.310000 1.0080 0 3323 C3 33 THR CA CT1 0.070000 12.0110 0 3324 C3 33 THR HA HB 0.090000 1.0080 0 3325 C3 33 THR CB CT1 0.140000 12.0110 0 3326 C3 33 THR HB HA 0.090000 1.0080 0 3327 C3 33 THR OG1 OH1 -0.660000 15.9990 0 3328 C3 33 THR HG1 H 0.430000 1.0080 0 3329 C3 33 THR CG2 CT3 -0.270000 12.0110 0 3330 C3 33 THR HG21 HA 0.090000 1.0080 0 3331 C3 33 THR HG22 HA 0.090000 1.0080 0 3332 C3 33 THR HG23 HA 0.090000 1.0080 0 3333 C3 33 THR C C 0.510000 12.0110 0 3334 C3 33 THR O O -0.510000 15.9990 0 3335 C3 34 VAL N NH1 -0.470000 14.0070 0 3336 C3 34 VAL HN H 0.310000 1.0080 0 3337 C3 34 VAL CA CT1 0.070000 12.0110 0 3338 C3 34 VAL HA HB 0.090000 1.0080 0 3339 C3 34 VAL CB CT1 -0.090000 12.0110 0 3340 C3 34 VAL HB HA 0.090000 1.0080 0 3341 C3 34 VAL CG1 CT3 -0.270000 12.0110 0 3342 C3 34 VAL HG11 HA 0.090000 1.0080 0 3343 C3 34 VAL HG12 HA 0.090000 1.0080 0 3344 C3 34 VAL HG13 HA 0.090000 1.0080 0 3345 C3 34 VAL CG2 CT3 -0.270000 12.0110 0 3346 C3 34 VAL HG21 HA 0.090000 1.0080 0 3347 C3 34 VAL HG22 HA 0.090000 1.0080 0 3348 C3 34 VAL HG23 HA 0.090000 1.0080 0 3349 C3 34 VAL C C 0.510000 12.0110 0 3350 C3 34 VAL O O -0.510000 15.9990 0 3351 C3 35 LEU N NH1 -0.470000 14.0070 0 3352 C3 35 LEU HN H 0.310000 1.0080 0 3353 C3 35 LEU CA CT1 0.070000 12.0110 0 3354 C3 35 LEU HA HB 0.090000 1.0080 0 3355 C3 35 LEU CB CT2 -0.180000 12.0110 0 3356 C3 35 LEU HB1 HA 0.090000 1.0080 0 3357 C3 35 LEU HB2 HA 0.090000 1.0080 0 3358 C3 35 LEU CG CT1 -0.090000 12.0110 0 3359 C3 35 LEU HG HA 0.090000 1.0080 0 3360 C3 35 LEU CD1 CT3 -0.270000 12.0110 0 3361 C3 35 LEU HD11 HA 0.090000 1.0080 0 3362 C3 35 LEU HD12 HA 0.090000 1.0080 0 3363 C3 35 LEU HD13 HA 0.090000 1.0080 0 3364 C3 35 LEU CD2 CT3 -0.270000 12.0110 0 3365 C3 35 LEU HD21 HA 0.090000 1.0080 0 3366 C3 35 LEU HD22 HA 0.090000 1.0080 0 3367 C3 35 LEU HD23 HA 0.090000 1.0080 0 3368 C3 35 LEU C C 0.510000 12.0110 0 3369 C3 35 LEU O O -0.510000 15.9990 0 3370 C3 36 LEU N NH1 -0.470000 14.0070 0 3371 C3 36 LEU HN H 0.310000 1.0080 0 3372 C3 36 LEU CA CT1 0.070000 12.0110 0 3373 C3 36 LEU HA HB 0.090000 1.0080 0 3374 C3 36 LEU CB CT2 -0.180000 12.0110 0 3375 C3 36 LEU HB1 HA 0.090000 1.0080 0 3376 C3 36 LEU HB2 HA 0.090000 1.0080 0 3377 C3 36 LEU CG CT1 -0.090000 12.0110 0 3378 C3 36 LEU HG HA 0.090000 1.0080 0 3379 C3 36 LEU CD1 CT3 -0.270000 12.0110 0 3380 C3 36 LEU HD11 HA 0.090000 1.0080 0 3381 C3 36 LEU HD12 HA 0.090000 1.0080 0 3382 C3 36 LEU HD13 HA 0.090000 1.0080 0 3383 C3 36 LEU CD2 CT3 -0.270000 12.0110 0 3384 C3 36 LEU HD21 HA 0.090000 1.0080 0 3385 C3 36 LEU HD22 HA 0.090000 1.0080 0 3386 C3 36 LEU HD23 HA 0.090000 1.0080 0 3387 C3 36 LEU C C 0.510000 12.0110 0 3388 C3 36 LEU O O -0.510000 15.9990 0 3389 C3 37 VAL N NH1 -0.470000 14.0070 0 3390 C3 37 VAL HN H 0.310000 1.0080 0 3391 C3 37 VAL CA CT1 0.070000 12.0110 0 3392 C3 37 VAL HA HB 0.090000 1.0080 0 3393 C3 37 VAL CB CT1 -0.090000 12.0110 0 3394 C3 37 VAL HB HA 0.090000 1.0080 0 3395 C3 37 VAL CG1 CT3 -0.270000 12.0110 0 3396 C3 37 VAL HG11 HA 0.090000 1.0080 0 3397 C3 37 VAL HG12 HA 0.090000 1.0080 0 3398 C3 37 VAL HG13 HA 0.090000 1.0080 0 3399 C3 37 VAL CG2 CT3 -0.270000 12.0110 0 3400 C3 37 VAL HG21 HA 0.090000 1.0080 0 3401 C3 37 VAL HG22 HA 0.090000 1.0080 0 3402 C3 37 VAL HG23 HA 0.090000 1.0080 0 3403 C3 37 VAL C C 0.510000 12.0110 0 3404 C3 37 VAL O O -0.510000 15.9990 0 3405 C3 38 ILE N NH1 -0.470000 14.0070 0 3406 C3 38 ILE HN H 0.310000 1.0080 0 3407 C3 38 ILE CA CT1 0.070000 12.0110 0 3408 C3 38 ILE HA HB 0.090000 1.0080 0 3409 C3 38 ILE CB CT1 -0.090000 12.0110 0 3410 C3 38 ILE HB HA 0.090000 1.0080 0 3411 C3 38 ILE CG2 CT3 -0.270000 12.0110 0 3412 C3 38 ILE HG21 HA 0.090000 1.0080 0 3413 C3 38 ILE HG22 HA 0.090000 1.0080 0 3414 C3 38 ILE HG23 HA 0.090000 1.0080 0 3415 C3 38 ILE CG1 CT2 -0.180000 12.0110 0 3416 C3 38 ILE HG11 HA 0.090000 1.0080 0 3417 C3 38 ILE HG12 HA 0.090000 1.0080 0 3418 C3 38 ILE CD CT3 -0.270000 12.0110 0 3419 C3 38 ILE HD1 HA 0.090000 1.0080 0 3420 C3 38 ILE HD2 HA 0.090000 1.0080 0 3421 C3 38 ILE HD3 HA 0.090000 1.0080 0 3422 C3 38 ILE C C 0.510000 12.0110 0 3423 C3 38 ILE O O -0.510000 15.9990 0 3424 C3 39 VAL N NH1 -0.470000 14.0070 0 3425 C3 39 VAL HN H 0.310000 1.0080 0 3426 C3 39 VAL CA CT1 0.070000 12.0110 0 3427 C3 39 VAL HA HB 0.090000 1.0080 0 3428 C3 39 VAL CB CT1 -0.090000 12.0110 0 3429 C3 39 VAL HB HA 0.090000 1.0080 0 3430 C3 39 VAL CG1 CT3 -0.270000 12.0110 0 3431 C3 39 VAL HG11 HA 0.090000 1.0080 0 3432 C3 39 VAL HG12 HA 0.090000 1.0080 0 3433 C3 39 VAL HG13 HA 0.090000 1.0080 0 3434 C3 39 VAL CG2 CT3 -0.270000 12.0110 0 3435 C3 39 VAL HG21 HA 0.090000 1.0080 0 3436 C3 39 VAL HG22 HA 0.090000 1.0080 0 3437 C3 39 VAL HG23 HA 0.090000 1.0080 0 3438 C3 39 VAL C C 0.510000 12.0110 0 3439 C3 39 VAL O O -0.510000 15.9990 0 3440 C3 40 LEU N NH1 -0.470000 14.0070 0 3441 C3 40 LEU HN H 0.310000 1.0080 0 3442 C3 40 LEU CA CT1 0.070000 12.0110 0 3443 C3 40 LEU HA HB 0.090000 1.0080 0 3444 C3 40 LEU CB CT2 -0.180000 12.0110 0 3445 C3 40 LEU HB1 HA 0.090000 1.0080 0 3446 C3 40 LEU HB2 HA 0.090000 1.0080 0 3447 C3 40 LEU CG CT1 -0.090000 12.0110 0 3448 C3 40 LEU HG HA 0.090000 1.0080 0 3449 C3 40 LEU CD1 CT3 -0.270000 12.0110 0 3450 C3 40 LEU HD11 HA 0.090000 1.0080 0 3451 C3 40 LEU HD12 HA 0.090000 1.0080 0 3452 C3 40 LEU HD13 HA 0.090000 1.0080 0 3453 C3 40 LEU CD2 CT3 -0.270000 12.0110 0 3454 C3 40 LEU HD21 HA 0.090000 1.0080 0 3455 C3 40 LEU HD22 HA 0.090000 1.0080 0 3456 C3 40 LEU HD23 HA 0.090000 1.0080 0 3457 C3 40 LEU C C 0.510000 12.0110 0 3458 C3 40 LEU O O -0.510000 15.9990 0 3459 C3 41 LEU N NH1 -0.470000 14.0070 0 3460 C3 41 LEU HN H 0.310000 1.0080 0 3461 C3 41 LEU CA CT1 0.070000 12.0110 0 3462 C3 41 LEU HA HB 0.090000 1.0080 0 3463 C3 41 LEU CB CT2 -0.180000 12.0110 0 3464 C3 41 LEU HB1 HA 0.090000 1.0080 0 3465 C3 41 LEU HB2 HA 0.090000 1.0080 0 3466 C3 41 LEU CG CT1 -0.090000 12.0110 0 3467 C3 41 LEU HG HA 0.090000 1.0080 0 3468 C3 41 LEU CD1 CT3 -0.270000 12.0110 0 3469 C3 41 LEU HD11 HA 0.090000 1.0080 0 3470 C3 41 LEU HD12 HA 0.090000 1.0080 0 3471 C3 41 LEU HD13 HA 0.090000 1.0080 0 3472 C3 41 LEU CD2 CT3 -0.270000 12.0110 0 3473 C3 41 LEU HD21 HA 0.090000 1.0080 0 3474 C3 41 LEU HD22 HA 0.090000 1.0080 0 3475 C3 41 LEU HD23 HA 0.090000 1.0080 0 3476 C3 41 LEU C C 0.510000 12.0110 0 3477 C3 41 LEU O O -0.510000 15.9990 0 3478 C3 42 ALA N NH1 -0.470000 14.0070 0 3479 C3 42 ALA HN H 0.310000 1.0080 0 3480 C3 42 ALA CA CT1 0.070000 12.0110 0 3481 C3 42 ALA HA HB 0.090000 1.0080 0 3482 C3 42 ALA CB CT3 -0.270000 12.0110 0 3483 C3 42 ALA HB1 HA 0.090000 1.0080 0 3484 C3 42 ALA HB2 HA 0.090000 1.0080 0 3485 C3 42 ALA HB3 HA 0.090000 1.0080 0 3486 C3 42 ALA C C 0.510000 12.0110 0 3487 C3 42 ALA O O -0.510000 15.9990 0 3488 C3 43 GLY N NH1 -0.470000 14.0070 0 3489 C3 43 GLY HN H 0.310000 1.0080 0 3490 C3 43 GLY CA CT2 -0.020000 12.0110 0 3491 C3 43 GLY HA1 HB 0.090000 1.0080 0 3492 C3 43 GLY HA2 HB 0.090000 1.0080 0 3493 C3 43 GLY C C 0.510000 12.0110 0 3494 C3 43 GLY O O -0.510000 15.9990 0 3495 C3 44 SER N NH1 -0.470000 14.0070 0 3496 C3 44 SER HN H 0.310000 1.0080 0 3497 C3 44 SER CA CT1 0.070000 12.0110 0 3498 C3 44 SER HA HB 0.090000 1.0080 0 3499 C3 44 SER CB CT2 0.050000 12.0110 0 3500 C3 44 SER HB1 HA 0.090000 1.0080 0 3501 C3 44 SER HB2 HA 0.090000 1.0080 0 3502 C3 44 SER OG OH1 -0.660000 15.9990 0 3503 C3 44 SER HG1 H 0.430000 1.0080 0 3504 C3 44 SER C C 0.510000 12.0110 0 3505 C3 44 SER O O -0.510000 15.9990 0 3506 C3 45 TYR N NH1 -0.470000 14.0070 0 3507 C3 45 TYR HN H 0.310000 1.0080 0 3508 C3 45 TYR CA CT1 0.070000 12.0110 0 3509 C3 45 TYR HA HB 0.090000 1.0080 0 3510 C3 45 TYR CB CT2 -0.180000 12.0110 0 3511 C3 45 TYR HB1 HA 0.090000 1.0080 0 3512 C3 45 TYR HB2 HA 0.090000 1.0080 0 3513 C3 45 TYR CG CA 0.000000 12.0110 0 3514 C3 45 TYR CD1 CA -0.115000 12.0110 0 3515 C3 45 TYR HD1 HP 0.115000 1.0080 0 3516 C3 45 TYR CE1 CA -0.115000 12.0110 0 3517 C3 45 TYR HE1 HP 0.115000 1.0080 0 3518 C3 45 TYR CZ CA 0.110000 12.0110 0 3519 C3 45 TYR OH OH1 -0.540000 15.9990 0 3520 C3 45 TYR HH H 0.430000 1.0080 0 3521 C3 45 TYR CD2 CA -0.115000 12.0110 0 3522 C3 45 TYR HD2 HP 0.115000 1.0080 0 3523 C3 45 TYR CE2 CA -0.115000 12.0110 0 3524 C3 45 TYR HE2 HP 0.115000 1.0080 0 3525 C3 45 TYR C C 0.510000 12.0110 0 3526 C3 45 TYR O O -0.510000 15.9990 0 3527 C3 46 LEU N NH1 -0.470000 14.0070 0 3528 C3 46 LEU HN H 0.310000 1.0080 0 3529 C3 46 LEU CA CT1 0.070000 12.0110 0 3530 C3 46 LEU HA HB 0.090000 1.0080 0 3531 C3 46 LEU CB CT2 -0.180000 12.0110 0 3532 C3 46 LEU HB1 HA 0.090000 1.0080 0 3533 C3 46 LEU HB2 HA 0.090000 1.0080 0 3534 C3 46 LEU CG CT1 -0.090000 12.0110 0 3535 C3 46 LEU HG HA 0.090000 1.0080 0 3536 C3 46 LEU CD1 CT3 -0.270000 12.0110 0 3537 C3 46 LEU HD11 HA 0.090000 1.0080 0 3538 C3 46 LEU HD12 HA 0.090000 1.0080 0 3539 C3 46 LEU HD13 HA 0.090000 1.0080 0 3540 C3 46 LEU CD2 CT3 -0.270000 12.0110 0 3541 C3 46 LEU HD21 HA 0.090000 1.0080 0 3542 C3 46 LEU HD22 HA 0.090000 1.0080 0 3543 C3 46 LEU HD23 HA 0.090000 1.0080 0 3544 C3 46 LEU C C 0.510000 12.0110 0 3545 C3 46 LEU O O -0.510000 15.9990 0 3546 C3 47 ALA N NH1 -0.470000 14.0070 0 3547 C3 47 ALA HN H 0.310000 1.0080 0 3548 C3 47 ALA CA CT1 0.070000 12.0110 0 3549 C3 47 ALA HA HB 0.090000 1.0080 0 3550 C3 47 ALA CB CT3 -0.270000 12.0110 0 3551 C3 47 ALA HB1 HA 0.090000 1.0080 0 3552 C3 47 ALA HB2 HA 0.090000 1.0080 0 3553 C3 47 ALA HB3 HA 0.090000 1.0080 0 3554 C3 47 ALA C C 0.510000 12.0110 0 3555 C3 47 ALA O O -0.510000 15.9990 0 3556 C3 48 VAL N NH1 -0.470000 14.0070 0 3557 C3 48 VAL HN H 0.310000 1.0080 0 3558 C3 48 VAL CA CT1 0.070000 12.0110 0 3559 C3 48 VAL HA HB 0.090000 1.0080 0 3560 C3 48 VAL CB CT1 -0.090000 12.0110 0 3561 C3 48 VAL HB HA 0.090000 1.0080 0 3562 C3 48 VAL CG1 CT3 -0.270000 12.0110 0 3563 C3 48 VAL HG11 HA 0.090000 1.0080 0 3564 C3 48 VAL HG12 HA 0.090000 1.0080 0 3565 C3 48 VAL HG13 HA 0.090000 1.0080 0 3566 C3 48 VAL CG2 CT3 -0.270000 12.0110 0 3567 C3 48 VAL HG21 HA 0.090000 1.0080 0 3568 C3 48 VAL HG22 HA 0.090000 1.0080 0 3569 C3 48 VAL HG23 HA 0.090000 1.0080 0 3570 C3 48 VAL C C 0.510000 12.0110 0 3571 C3 48 VAL O O -0.510000 15.9990 0 3572 C3 49 LEU N NH1 -0.470000 14.0070 0 3573 C3 49 LEU HN H 0.310000 1.0080 0 3574 C3 49 LEU CA CT1 0.070000 12.0110 0 3575 C3 49 LEU HA HB 0.090000 1.0080 0 3576 C3 49 LEU CB CT2 -0.180000 12.0110 0 3577 C3 49 LEU HB1 HA 0.090000 1.0080 0 3578 C3 49 LEU HB2 HA 0.090000 1.0080 0 3579 C3 49 LEU CG CT1 -0.090000 12.0110 0 3580 C3 49 LEU HG HA 0.090000 1.0080 0 3581 C3 49 LEU CD1 CT3 -0.270000 12.0110 0 3582 C3 49 LEU HD11 HA 0.090000 1.0080 0 3583 C3 49 LEU HD12 HA 0.090000 1.0080 0 3584 C3 49 LEU HD13 HA 0.090000 1.0080 0 3585 C3 49 LEU CD2 CT3 -0.270000 12.0110 0 3586 C3 49 LEU HD21 HA 0.090000 1.0080 0 3587 C3 49 LEU HD22 HA 0.090000 1.0080 0 3588 C3 49 LEU HD23 HA 0.090000 1.0080 0 3589 C3 49 LEU C C 0.510000 12.0110 0 3590 C3 49 LEU O O -0.510000 15.9990 0 3591 C3 50 ALA N NH1 -0.470000 14.0070 0 3592 C3 50 ALA HN H 0.310000 1.0080 0 3593 C3 50 ALA CA CT1 0.070000 12.0110 0 3594 C3 50 ALA HA HB 0.090000 1.0080 0 3595 C3 50 ALA CB CT3 -0.270000 12.0110 0 3596 C3 50 ALA HB1 HA 0.090000 1.0080 0 3597 C3 50 ALA HB2 HA 0.090000 1.0080 0 3598 C3 50 ALA HB3 HA 0.090000 1.0080 0 3599 C3 50 ALA C C 0.510000 12.0110 0 3600 C3 50 ALA O O -0.510000 15.9990 0 3601 C3 51 GLU N NH1 -0.470000 14.0070 0 3602 C3 51 GLU HN H 0.310000 1.0080 0 3603 C3 51 GLU CA CT1 0.070000 12.0110 0 3604 C3 51 GLU HA HB 0.090000 1.0080 0 3605 C3 51 GLU CB CT2 -0.180000 12.0110 0 3606 C3 51 GLU HB1 HA 0.090000 1.0080 0 3607 C3 51 GLU HB2 HA 0.090000 1.0080 0 3608 C3 51 GLU CG CT2 -0.280000 12.0110 0 3609 C3 51 GLU HG1 HA 0.090000 1.0080 0 3610 C3 51 GLU HG2 HA 0.090000 1.0080 0 3611 C3 51 GLU CD CC 0.620000 12.0110 0 3612 C3 51 GLU OE1 OC -0.760000 15.9990 0 3613 C3 51 GLU OE2 OC -0.760000 15.9990 0 3614 C3 51 GLU C C 0.510000 12.0110 0 3615 C3 51 GLU O O -0.510000 15.9990 0 3616 C3 52 ARG N NH1 -0.470000 14.0070 0 3617 C3 52 ARG HN H 0.310000 1.0080 0 3618 C3 52 ARG CA CT1 0.070000 12.0110 0 3619 C3 52 ARG HA HB 0.090000 1.0080 0 3620 C3 52 ARG CB CT2 -0.180000 12.0110 0 3621 C3 52 ARG HB1 HA 0.090000 1.0080 0 3622 C3 52 ARG HB2 HA 0.090000 1.0080 0 3623 C3 52 ARG CG CT2 -0.180000 12.0110 0 3624 C3 52 ARG HG1 HA 0.090000 1.0080 0 3625 C3 52 ARG HG2 HA 0.090000 1.0080 0 3626 C3 52 ARG CD CT2 0.200000 12.0110 0 3627 C3 52 ARG HD1 HA 0.090000 1.0080 0 3628 C3 52 ARG HD2 HA 0.090000 1.0080 0 3629 C3 52 ARG NE NC2 -0.700000 14.0070 0 3630 C3 52 ARG HE HC 0.440000 1.0080 0 3631 C3 52 ARG CZ C 0.640000 12.0110 0 3632 C3 52 ARG NH1 NC2 -0.800000 14.0070 0 3633 C3 52 ARG HH11 HC 0.460000 1.0080 0 3634 C3 52 ARG HH12 HC 0.460000 1.0080 0 3635 C3 52 ARG NH2 NC2 -0.800000 14.0070 0 3636 C3 52 ARG HH21 HC 0.460000 1.0080 0 3637 C3 52 ARG HH22 HC 0.460000 1.0080 0 3638 C3 52 ARG C C 0.510000 12.0110 0 3639 C3 52 ARG O O -0.510000 15.9990 0 3640 C3 53 GLY N NH1 -0.470000 14.0070 0 3641 C3 53 GLY HN H 0.310000 1.0080 0 3642 C3 53 GLY CA CT2 -0.020000 12.0110 0 3643 C3 53 GLY HA1 HB 0.090000 1.0080 0 3644 C3 53 GLY HA2 HB 0.090000 1.0080 0 3645 C3 53 GLY C C 0.510000 12.0110 0 3646 C3 53 GLY O O -0.510000 15.9990 0 3647 C3 54 ALA N NH1 -0.470000 14.0070 0 3648 C3 54 ALA HN H 0.310000 1.0080 0 3649 C3 54 ALA CA CT1 0.070000 12.0110 0 3650 C3 54 ALA HA HB 0.090000 1.0080 0 3651 C3 54 ALA CB CT3 -0.270000 12.0110 0 3652 C3 54 ALA HB1 HA 0.090000 1.0080 0 3653 C3 54 ALA HB2 HA 0.090000 1.0080 0 3654 C3 54 ALA HB3 HA 0.090000 1.0080 0 3655 C3 54 ALA C C 0.510000 12.0110 0 3656 C3 54 ALA O O -0.510000 15.9990 0 3657 C3 55 PRO N N -0.290000 14.0070 0 3658 C3 55 PRO CD CP3 0.000000 12.0110 0 3659 C3 55 PRO HD1 HA 0.090000 1.0080 0 3660 C3 55 PRO HD2 HA 0.090000 1.0080 0 3661 C3 55 PRO CA CP1 0.020000 12.0110 0 3662 C3 55 PRO HA HB 0.090000 1.0080 0 3663 C3 55 PRO CB CP2 -0.180000 12.0110 0 3664 C3 55 PRO HB1 HA 0.090000 1.0080 0 3665 C3 55 PRO HB2 HA 0.090000 1.0080 0 3666 C3 55 PRO CG CP2 -0.180000 12.0110 0 3667 C3 55 PRO HG1 HA 0.090000 1.0080 0 3668 C3 55 PRO HG2 HA 0.090000 1.0080 0 3669 C3 55 PRO C C 0.510000 12.0110 0 3670 C3 55 PRO O O -0.510000 15.9990 0 3671 C3 56 GLY N NH1 -0.470000 14.0070 0 3672 C3 56 GLY HN H 0.310000 1.0080 0 3673 C3 56 GLY CA CT2 -0.020000 12.0110 0 3674 C3 56 GLY HA1 HB 0.090000 1.0080 0 3675 C3 56 GLY HA2 HB 0.090000 1.0080 0 3676 C3 56 GLY C C 0.510000 12.0110 0 3677 C3 56 GLY O O -0.510000 15.9990 0 3678 C3 57 ALA N NH1 -0.470000 14.0070 0 3679 C3 57 ALA HN H 0.310000 1.0080 0 3680 C3 57 ALA CA CT1 0.070000 12.0110 0 3681 C3 57 ALA HA HB 0.090000 1.0080 0 3682 C3 57 ALA CB CT3 -0.270000 12.0110 0 3683 C3 57 ALA HB1 HA 0.090000 1.0080 0 3684 C3 57 ALA HB2 HA 0.090000 1.0080 0 3685 C3 57 ALA HB3 HA 0.090000 1.0080 0 3686 C3 57 ALA C C 0.510000 12.0110 0 3687 C3 57 ALA O O -0.510000 15.9990 0 3688 C3 58 GLN N NH1 -0.470000 14.0070 0 3689 C3 58 GLN HN H 0.310000 1.0080 0 3690 C3 58 GLN CA CT1 0.070000 12.0110 0 3691 C3 58 GLN HA HB 0.090000 1.0080 0 3692 C3 58 GLN CB CT2 -0.180000 12.0110 0 3693 C3 58 GLN HB1 HA 0.090000 1.0080 0 3694 C3 58 GLN HB2 HA 0.090000 1.0080 0 3695 C3 58 GLN CG CT2 -0.180000 12.0110 0 3696 C3 58 GLN HG1 HA 0.090000 1.0080 0 3697 C3 58 GLN HG2 HA 0.090000 1.0080 0 3698 C3 58 GLN CD CC 0.550000 12.0110 0 3699 C3 58 GLN OE1 O -0.550000 15.9990 0 3700 C3 58 GLN NE2 NH2 -0.620000 14.0070 0 3701 C3 58 GLN HE21 H 0.320000 1.0080 0 3702 C3 58 GLN HE22 H 0.300000 1.0080 0 3703 C3 58 GLN C C 0.510000 12.0110 0 3704 C3 58 GLN O O -0.510000 15.9990 0 3705 C3 59 LEU N NH1 -0.470000 14.0070 0 3706 C3 59 LEU HN H 0.310000 1.0080 0 3707 C3 59 LEU CA CT1 0.070000 12.0110 0 3708 C3 59 LEU HA HB 0.090000 1.0080 0 3709 C3 59 LEU CB CT2 -0.180000 12.0110 0 3710 C3 59 LEU HB1 HA 0.090000 1.0080 0 3711 C3 59 LEU HB2 HA 0.090000 1.0080 0 3712 C3 59 LEU CG CT1 -0.090000 12.0110 0 3713 C3 59 LEU HG HA 0.090000 1.0080 0 3714 C3 59 LEU CD1 CT3 -0.270000 12.0110 0 3715 C3 59 LEU HD11 HA 0.090000 1.0080 0 3716 C3 59 LEU HD12 HA 0.090000 1.0080 0 3717 C3 59 LEU HD13 HA 0.090000 1.0080 0 3718 C3 59 LEU CD2 CT3 -0.270000 12.0110 0 3719 C3 59 LEU HD21 HA 0.090000 1.0080 0 3720 C3 59 LEU HD22 HA 0.090000 1.0080 0 3721 C3 59 LEU HD23 HA 0.090000 1.0080 0 3722 C3 59 LEU C C 0.510000 12.0110 0 3723 C3 59 LEU O O -0.510000 15.9990 0 3724 C3 60 ILE N NH1 -0.470000 14.0070 0 3725 C3 60 ILE HN H 0.310000 1.0080 0 3726 C3 60 ILE CA CT1 0.070000 12.0110 0 3727 C3 60 ILE HA HB 0.090000 1.0080 0 3728 C3 60 ILE CB CT1 -0.090000 12.0110 0 3729 C3 60 ILE HB HA 0.090000 1.0080 0 3730 C3 60 ILE CG2 CT3 -0.270000 12.0110 0 3731 C3 60 ILE HG21 HA 0.090000 1.0080 0 3732 C3 60 ILE HG22 HA 0.090000 1.0080 0 3733 C3 60 ILE HG23 HA 0.090000 1.0080 0 3734 C3 60 ILE CG1 CT2 -0.180000 12.0110 0 3735 C3 60 ILE HG11 HA 0.090000 1.0080 0 3736 C3 60 ILE HG12 HA 0.090000 1.0080 0 3737 C3 60 ILE CD CT3 -0.270000 12.0110 0 3738 C3 60 ILE HD1 HA 0.090000 1.0080 0 3739 C3 60 ILE HD2 HA 0.090000 1.0080 0 3740 C3 60 ILE HD3 HA 0.090000 1.0080 0 3741 C3 60 ILE C C 0.510000 12.0110 0 3742 C3 60 ILE O O -0.510000 15.9990 0 3743 C3 61 THR N NH1 -0.470000 14.0070 0 3744 C3 61 THR HN H 0.310000 1.0080 0 3745 C3 61 THR CA CT1 0.070000 12.0110 0 3746 C3 61 THR HA HB 0.090000 1.0080 0 3747 C3 61 THR CB CT1 0.140000 12.0110 0 3748 C3 61 THR HB HA 0.090000 1.0080 0 3749 C3 61 THR OG1 OH1 -0.660000 15.9990 0 3750 C3 61 THR HG1 H 0.430000 1.0080 0 3751 C3 61 THR CG2 CT3 -0.270000 12.0110 0 3752 C3 61 THR HG21 HA 0.090000 1.0080 0 3753 C3 61 THR HG22 HA 0.090000 1.0080 0 3754 C3 61 THR HG23 HA 0.090000 1.0080 0 3755 C3 61 THR C C 0.510000 12.0110 0 3756 C3 61 THR O O -0.510000 15.9990 0 3757 C3 62 TYR N NH1 -0.470000 14.0070 0 3758 C3 62 TYR HN H 0.310000 1.0080 0 3759 C3 62 TYR CA CT1 0.070000 12.0110 0 3760 C3 62 TYR HA HB 0.090000 1.0080 0 3761 C3 62 TYR CB CT2 -0.180000 12.0110 0 3762 C3 62 TYR HB1 HA 0.090000 1.0080 0 3763 C3 62 TYR HB2 HA 0.090000 1.0080 0 3764 C3 62 TYR CG CA 0.000000 12.0110 0 3765 C3 62 TYR CD1 CA -0.115000 12.0110 0 3766 C3 62 TYR HD1 HP 0.115000 1.0080 0 3767 C3 62 TYR CE1 CA -0.115000 12.0110 0 3768 C3 62 TYR HE1 HP 0.115000 1.0080 0 3769 C3 62 TYR CZ CA 0.110000 12.0110 0 3770 C3 62 TYR OH OH1 -0.540000 15.9990 0 3771 C3 62 TYR HH H 0.430000 1.0080 0 3772 C3 62 TYR CD2 CA -0.115000 12.0110 0 3773 C3 62 TYR HD2 HP 0.115000 1.0080 0 3774 C3 62 TYR CE2 CA -0.115000 12.0110 0 3775 C3 62 TYR HE2 HP 0.115000 1.0080 0 3776 C3 62 TYR C C 0.510000 12.0110 0 3777 C3 62 TYR O O -0.510000 15.9990 0 3778 C3 63 PRO N N -0.290000 14.0070 0 3779 C3 63 PRO CD CP3 0.000000 12.0110 0 3780 C3 63 PRO HD1 HA 0.090000 1.0080 0 3781 C3 63 PRO HD2 HA 0.090000 1.0080 0 3782 C3 63 PRO CA CP1 0.020000 12.0110 0 3783 C3 63 PRO HA HB 0.090000 1.0080 0 3784 C3 63 PRO CB CP2 -0.180000 12.0110 0 3785 C3 63 PRO HB1 HA 0.090000 1.0080 0 3786 C3 63 PRO HB2 HA 0.090000 1.0080 0 3787 C3 63 PRO CG CP2 -0.180000 12.0110 0 3788 C3 63 PRO HG1 HA 0.090000 1.0080 0 3789 C3 63 PRO HG2 HA 0.090000 1.0080 0 3790 C3 63 PRO C C 0.510000 12.0110 0 3791 C3 63 PRO O O -0.510000 15.9990 0 3792 C3 64 ARG N NH1 -0.470000 14.0070 0 3793 C3 64 ARG HN H 0.310000 1.0080 0 3794 C3 64 ARG CA CT1 0.070000 12.0110 0 3795 C3 64 ARG HA HB 0.090000 1.0080 0 3796 C3 64 ARG CB CT2 -0.180000 12.0110 0 3797 C3 64 ARG HB1 HA 0.090000 1.0080 0 3798 C3 64 ARG HB2 HA 0.090000 1.0080 0 3799 C3 64 ARG CG CT2 -0.180000 12.0110 0 3800 C3 64 ARG HG1 HA 0.090000 1.0080 0 3801 C3 64 ARG HG2 HA 0.090000 1.0080 0 3802 C3 64 ARG CD CT2 0.200000 12.0110 0 3803 C3 64 ARG HD1 HA 0.090000 1.0080 0 3804 C3 64 ARG HD2 HA 0.090000 1.0080 0 3805 C3 64 ARG NE NC2 -0.700000 14.0070 0 3806 C3 64 ARG HE HC 0.440000 1.0080 0 3807 C3 64 ARG CZ C 0.640000 12.0110 0 3808 C3 64 ARG NH1 NC2 -0.800000 14.0070 0 3809 C3 64 ARG HH11 HC 0.460000 1.0080 0 3810 C3 64 ARG HH12 HC 0.460000 1.0080 0 3811 C3 64 ARG NH2 NC2 -0.800000 14.0070 0 3812 C3 64 ARG HH21 HC 0.460000 1.0080 0 3813 C3 64 ARG HH22 HC 0.460000 1.0080 0 3814 C3 64 ARG C C 0.510000 12.0110 0 3815 C3 64 ARG O O -0.510000 15.9990 0 3816 C3 65 ALA N NH1 -0.470000 14.0070 0 3817 C3 65 ALA HN H 0.310000 1.0080 0 3818 C3 65 ALA CA CT1 0.070000 12.0110 0 3819 C3 65 ALA HA HB 0.090000 1.0080 0 3820 C3 65 ALA CB CT3 -0.270000 12.0110 0 3821 C3 65 ALA HB1 HA 0.090000 1.0080 0 3822 C3 65 ALA HB2 HA 0.090000 1.0080 0 3823 C3 65 ALA HB3 HA 0.090000 1.0080 0 3824 C3 65 ALA C C 0.510000 12.0110 0 3825 C3 65 ALA O O -0.510000 15.9990 0 3826 C3 66 LEU N NH1 -0.470000 14.0070 0 3827 C3 66 LEU HN H 0.310000 1.0080 0 3828 C3 66 LEU CA CT1 0.070000 12.0110 0 3829 C3 66 LEU HA HB 0.090000 1.0080 0 3830 C3 66 LEU CB CT2 -0.180000 12.0110 0 3831 C3 66 LEU HB1 HA 0.090000 1.0080 0 3832 C3 66 LEU HB2 HA 0.090000 1.0080 0 3833 C3 66 LEU CG CT1 -0.090000 12.0110 0 3834 C3 66 LEU HG HA 0.090000 1.0080 0 3835 C3 66 LEU CD1 CT3 -0.270000 12.0110 0 3836 C3 66 LEU HD11 HA 0.090000 1.0080 0 3837 C3 66 LEU HD12 HA 0.090000 1.0080 0 3838 C3 66 LEU HD13 HA 0.090000 1.0080 0 3839 C3 66 LEU CD2 CT3 -0.270000 12.0110 0 3840 C3 66 LEU HD21 HA 0.090000 1.0080 0 3841 C3 66 LEU HD22 HA 0.090000 1.0080 0 3842 C3 66 LEU HD23 HA 0.090000 1.0080 0 3843 C3 66 LEU C C 0.510000 12.0110 0 3844 C3 66 LEU O O -0.510000 15.9990 0 3845 C3 67 TRP N NH1 -0.470000 14.0070 0 3846 C3 67 TRP HN H 0.310000 1.0080 0 3847 C3 67 TRP CA CT1 0.070000 12.0110 0 3848 C3 67 TRP HA HB 0.090000 1.0080 0 3849 C3 67 TRP CB CT2 -0.180000 12.0110 0 3850 C3 67 TRP HB1 HA 0.090000 1.0080 0 3851 C3 67 TRP HB2 HA 0.090000 1.0080 0 3852 C3 67 TRP CG CY -0.030000 12.0110 0 3853 C3 67 TRP CD1 CA 0.035000 12.0110 0 3854 C3 67 TRP HD1 HP 0.115000 1.0080 0 3855 C3 67 TRP NE1 NY -0.610000 14.0070 0 3856 C3 67 TRP HE1 H 0.380000 1.0080 0 3857 C3 67 TRP CE2 CPT 0.130000 12.0110 0 3858 C3 67 TRP CD2 CPT -0.020000 12.0110 0 3859 C3 67 TRP CE3 CA -0.115000 12.0110 0 3860 C3 67 TRP HE3 HP 0.115000 1.0080 0 3861 C3 67 TRP CZ3 CA -0.115000 12.0110 0 3862 C3 67 TRP HZ3 HP 0.115000 1.0080 0 3863 C3 67 TRP CZ2 CA -0.115000 12.0110 0 3864 C3 67 TRP HZ2 HP 0.115000 1.0080 0 3865 C3 67 TRP CH2 CA -0.115000 12.0110 0 3866 C3 67 TRP HH2 HP 0.115000 1.0080 0 3867 C3 67 TRP C C 0.510000 12.0110 0 3868 C3 67 TRP O O -0.510000 15.9990 0 3869 C3 68 TRP N NH1 -0.470000 14.0070 0 3870 C3 68 TRP HN H 0.310000 1.0080 0 3871 C3 68 TRP CA CT1 0.070000 12.0110 0 3872 C3 68 TRP HA HB 0.090000 1.0080 0 3873 C3 68 TRP CB CT2 -0.180000 12.0110 0 3874 C3 68 TRP HB1 HA 0.090000 1.0080 0 3875 C3 68 TRP HB2 HA 0.090000 1.0080 0 3876 C3 68 TRP CG CY -0.030000 12.0110 0 3877 C3 68 TRP CD1 CA 0.035000 12.0110 0 3878 C3 68 TRP HD1 HP 0.115000 1.0080 0 3879 C3 68 TRP NE1 NY -0.610000 14.0070 0 3880 C3 68 TRP HE1 H 0.380000 1.0080 0 3881 C3 68 TRP CE2 CPT 0.130000 12.0110 0 3882 C3 68 TRP CD2 CPT -0.020000 12.0110 0 3883 C3 68 TRP CE3 CA -0.115000 12.0110 0 3884 C3 68 TRP HE3 HP 0.115000 1.0080 0 3885 C3 68 TRP CZ3 CA -0.115000 12.0110 0 3886 C3 68 TRP HZ3 HP 0.115000 1.0080 0 3887 C3 68 TRP CZ2 CA -0.115000 12.0110 0 3888 C3 68 TRP HZ2 HP 0.115000 1.0080 0 3889 C3 68 TRP CH2 CA -0.115000 12.0110 0 3890 C3 68 TRP HH2 HP 0.115000 1.0080 0 3891 C3 68 TRP C C 0.510000 12.0110 0 3892 C3 68 TRP O O -0.510000 15.9990 0 3893 C3 69 SER N NH1 -0.470000 14.0070 0 3894 C3 69 SER HN H 0.310000 1.0080 0 3895 C3 69 SER CA CT1 0.070000 12.0110 0 3896 C3 69 SER HA HB 0.090000 1.0080 0 3897 C3 69 SER CB CT2 0.050000 12.0110 0 3898 C3 69 SER HB1 HA 0.090000 1.0080 0 3899 C3 69 SER HB2 HA 0.090000 1.0080 0 3900 C3 69 SER OG OH1 -0.660000 15.9990 0 3901 C3 69 SER HG1 H 0.430000 1.0080 0 3902 C3 69 SER C C 0.510000 12.0110 0 3903 C3 69 SER O O -0.510000 15.9990 0 3904 C3 70 VAL N NH1 -0.470000 14.0070 0 3905 C3 70 VAL HN H 0.310000 1.0080 0 3906 C3 70 VAL CA CT1 0.070000 12.0110 0 3907 C3 70 VAL HA HB 0.090000 1.0080 0 3908 C3 70 VAL CB CT1 -0.090000 12.0110 0 3909 C3 70 VAL HB HA 0.090000 1.0080 0 3910 C3 70 VAL CG1 CT3 -0.270000 12.0110 0 3911 C3 70 VAL HG11 HA 0.090000 1.0080 0 3912 C3 70 VAL HG12 HA 0.090000 1.0080 0 3913 C3 70 VAL HG13 HA 0.090000 1.0080 0 3914 C3 70 VAL CG2 CT3 -0.270000 12.0110 0 3915 C3 70 VAL HG21 HA 0.090000 1.0080 0 3916 C3 70 VAL HG22 HA 0.090000 1.0080 0 3917 C3 70 VAL HG23 HA 0.090000 1.0080 0 3918 C3 70 VAL C C 0.510000 12.0110 0 3919 C3 70 VAL O O -0.510000 15.9990 0 3920 C3 71 GLU CG CT2 -0.210000 12.0110 0 3921 C3 71 GLU HG1 HA 0.090000 1.0080 0 3922 C3 71 GLU HG2 HA 0.090000 1.0080 0 3923 C3 71 GLU CD CD 0.750000 12.0110 0 3924 C3 71 GLU OE1 OB -0.550000 15.9990 0 3925 C3 71 GLU OE2 OH1 -0.610000 15.9990 0 3926 C3 71 GLU HE2 H 0.440000 1.0080 0 3927 C3 71 GLU N NH1 -0.470000 14.0070 0 3928 C3 71 GLU HN H 0.310000 1.0080 0 3929 C3 71 GLU CA CT1 0.070000 12.0110 0 3930 C3 71 GLU HA HB 0.090000 1.0080 0 3931 C3 71 GLU CB CT2 -0.180000 12.0110 0 3932 C3 71 GLU HB1 HA 0.090000 1.0080 0 3933 C3 71 GLU HB2 HA 0.090000 1.0080 0 3934 C3 71 GLU C C 0.510000 12.0110 0 3935 C3 71 GLU O O -0.510000 15.9990 0 3936 C3 72 THR N NH1 -0.470000 14.0070 0 3937 C3 72 THR HN H 0.310000 1.0080 0 3938 C3 72 THR CA CT1 0.070000 12.0110 0 3939 C3 72 THR HA HB 0.090000 1.0080 0 3940 C3 72 THR CB CT1 0.140000 12.0110 0 3941 C3 72 THR HB HA 0.090000 1.0080 0 3942 C3 72 THR OG1 OH1 -0.660000 15.9990 0 3943 C3 72 THR HG1 H 0.430000 1.0080 0 3944 C3 72 THR CG2 CT3 -0.270000 12.0110 0 3945 C3 72 THR HG21 HA 0.090000 1.0080 0 3946 C3 72 THR HG22 HA 0.090000 1.0080 0 3947 C3 72 THR HG23 HA 0.090000 1.0080 0 3948 C3 72 THR C C 0.510000 12.0110 0 3949 C3 72 THR O O -0.510000 15.9990 0 3950 C3 73 ALA N NH1 -0.470000 14.0070 0 3951 C3 73 ALA HN H 0.310000 1.0080 0 3952 C3 73 ALA CA CT1 0.070000 12.0110 0 3953 C3 73 ALA HA HB 0.090000 1.0080 0 3954 C3 73 ALA CB CT3 -0.270000 12.0110 0 3955 C3 73 ALA HB1 HA 0.090000 1.0080 0 3956 C3 73 ALA HB2 HA 0.090000 1.0080 0 3957 C3 73 ALA HB3 HA 0.090000 1.0080 0 3958 C3 73 ALA C C 0.510000 12.0110 0 3959 C3 73 ALA O O -0.510000 15.9990 0 3960 C3 74 THR N NH1 -0.470000 14.0070 0 3961 C3 74 THR HN H 0.310000 1.0080 0 3962 C3 74 THR CA CT1 0.070000 12.0110 0 3963 C3 74 THR HA HB 0.090000 1.0080 0 3964 C3 74 THR CB CT1 0.140000 12.0110 0 3965 C3 74 THR HB HA 0.090000 1.0080 0 3966 C3 74 THR OG1 OH1 -0.660000 15.9990 0 3967 C3 74 THR HG1 H 0.430000 1.0080 0 3968 C3 74 THR CG2 CT3 -0.270000 12.0110 0 3969 C3 74 THR HG21 HA 0.090000 1.0080 0 3970 C3 74 THR HG22 HA 0.090000 1.0080 0 3971 C3 74 THR HG23 HA 0.090000 1.0080 0 3972 C3 74 THR C C 0.510000 12.0110 0 3973 C3 74 THR O O -0.510000 15.9990 0 3974 C3 75 THR N NH1 -0.470000 14.0070 0 3975 C3 75 THR HN H 0.310000 1.0080 0 3976 C3 75 THR CA CT1 0.070000 12.0110 0 3977 C3 75 THR HA HB 0.090000 1.0080 0 3978 C3 75 THR CB CT1 0.140000 12.0110 0 3979 C3 75 THR HB HA 0.090000 1.0080 0 3980 C3 75 THR OG1 OH1 -0.660000 15.9990 0 3981 C3 75 THR HG1 H 0.430000 1.0080 0 3982 C3 75 THR CG2 CT3 -0.270000 12.0110 0 3983 C3 75 THR HG21 HA 0.090000 1.0080 0 3984 C3 75 THR HG22 HA 0.090000 1.0080 0 3985 C3 75 THR HG23 HA 0.090000 1.0080 0 3986 C3 75 THR C C 0.510000 12.0110 0 3987 C3 75 THR O O -0.510000 15.9990 0 3988 C3 76 VAL N NH1 -0.470000 14.0070 0 3989 C3 76 VAL HN H 0.310000 1.0080 0 3990 C3 76 VAL CA CT1 0.070000 12.0110 0 3991 C3 76 VAL HA HB 0.090000 1.0080 0 3992 C3 76 VAL CB CT1 -0.090000 12.0110 0 3993 C3 76 VAL HB HA 0.090000 1.0080 0 3994 C3 76 VAL CG1 CT3 -0.270000 12.0110 0 3995 C3 76 VAL HG11 HA 0.090000 1.0080 0 3996 C3 76 VAL HG12 HA 0.090000 1.0080 0 3997 C3 76 VAL HG13 HA 0.090000 1.0080 0 3998 C3 76 VAL CG2 CT3 -0.270000 12.0110 0 3999 C3 76 VAL HG21 HA 0.090000 1.0080 0 4000 C3 76 VAL HG22 HA 0.090000 1.0080 0 4001 C3 76 VAL HG23 HA 0.090000 1.0080 0 4002 C3 76 VAL C C 0.510000 12.0110 0 4003 C3 76 VAL O O -0.510000 15.9990 0 4004 C3 77 GLY N NH1 -0.470000 14.0070 0 4005 C3 77 GLY HN H 0.310000 1.0080 0 4006 C3 77 GLY CA CT2 -0.020000 12.0110 0 4007 C3 77 GLY HA1 HB 0.090000 1.0080 0 4008 C3 77 GLY HA2 HB 0.090000 1.0080 0 4009 C3 77 GLY C C 0.510000 12.0110 0 4010 C3 77 GLY O O -0.510000 15.9990 0 4011 C3 78 TYR N NH1 -0.470000 14.0070 0 4012 C3 78 TYR HN H 0.310000 1.0080 0 4013 C3 78 TYR CA CT1 0.070000 12.0110 0 4014 C3 78 TYR HA HB 0.090000 1.0080 0 4015 C3 78 TYR CB CT2 -0.180000 12.0110 0 4016 C3 78 TYR HB1 HA 0.090000 1.0080 0 4017 C3 78 TYR HB2 HA 0.090000 1.0080 0 4018 C3 78 TYR CG CA 0.000000 12.0110 0 4019 C3 78 TYR CD1 CA -0.115000 12.0110 0 4020 C3 78 TYR HD1 HP 0.115000 1.0080 0 4021 C3 78 TYR CE1 CA -0.115000 12.0110 0 4022 C3 78 TYR HE1 HP 0.115000 1.0080 0 4023 C3 78 TYR CZ CA 0.110000 12.0110 0 4024 C3 78 TYR OH OH1 -0.540000 15.9990 0 4025 C3 78 TYR HH H 0.430000 1.0080 0 4026 C3 78 TYR CD2 CA -0.115000 12.0110 0 4027 C3 78 TYR HD2 HP 0.115000 1.0080 0 4028 C3 78 TYR CE2 CA -0.115000 12.0110 0 4029 C3 78 TYR HE2 HP 0.115000 1.0080 0 4030 C3 78 TYR C C 0.510000 12.0110 0 4031 C3 78 TYR O O -0.510000 15.9990 0 4032 C3 79 GLY N NH1 -0.470000 14.0070 0 4033 C3 79 GLY HN H 0.310000 1.0080 0 4034 C3 79 GLY CA CT2 -0.020000 12.0110 0 4035 C3 79 GLY HA1 HB 0.090000 1.0080 0 4036 C3 79 GLY HA2 HB 0.090000 1.0080 0 4037 C3 79 GLY C C 0.510000 12.0110 0 4038 C3 79 GLY O O -0.510000 15.9990 0 4039 C3 80 ASP N NH1 -0.470000 14.0070 0 4040 C3 80 ASP HN H 0.310000 1.0080 0 4041 C3 80 ASP CA CT1 0.070000 12.0110 0 4042 C3 80 ASP HA HB 0.090000 1.0080 0 4043 C3 80 ASP CB CT2 -0.280000 12.0110 0 4044 C3 80 ASP HB1 HA 0.090000 1.0080 0 4045 C3 80 ASP HB2 HA 0.090000 1.0080 0 4046 C3 80 ASP CG CC 0.620000 12.0110 0 4047 C3 80 ASP OD1 OC -0.760000 15.9990 0 4048 C3 80 ASP OD2 OC -0.760000 15.9990 0 4049 C3 80 ASP C C 0.510000 12.0110 0 4050 C3 80 ASP O O -0.510000 15.9990 0 4051 C3 81 LEU N NH1 -0.470000 14.0070 0 4052 C3 81 LEU HN H 0.310000 1.0080 0 4053 C3 81 LEU CA CT1 0.070000 12.0110 0 4054 C3 81 LEU HA HB 0.090000 1.0080 0 4055 C3 81 LEU CB CT2 -0.180000 12.0110 0 4056 C3 81 LEU HB1 HA 0.090000 1.0080 0 4057 C3 81 LEU HB2 HA 0.090000 1.0080 0 4058 C3 81 LEU CG CT1 -0.090000 12.0110 0 4059 C3 81 LEU HG HA 0.090000 1.0080 0 4060 C3 81 LEU CD1 CT3 -0.270000 12.0110 0 4061 C3 81 LEU HD11 HA 0.090000 1.0080 0 4062 C3 81 LEU HD12 HA 0.090000 1.0080 0 4063 C3 81 LEU HD13 HA 0.090000 1.0080 0 4064 C3 81 LEU CD2 CT3 -0.270000 12.0110 0 4065 C3 81 LEU HD21 HA 0.090000 1.0080 0 4066 C3 81 LEU HD22 HA 0.090000 1.0080 0 4067 C3 81 LEU HD23 HA 0.090000 1.0080 0 4068 C3 81 LEU C C 0.510000 12.0110 0 4069 C3 81 LEU O O -0.510000 15.9990 0 4070 C3 82 TYR N NH1 -0.470000 14.0070 0 4071 C3 82 TYR HN H 0.310000 1.0080 0 4072 C3 82 TYR CA CT1 0.070000 12.0110 0 4073 C3 82 TYR HA HB 0.090000 1.0080 0 4074 C3 82 TYR CB CT2 -0.180000 12.0110 0 4075 C3 82 TYR HB1 HA 0.090000 1.0080 0 4076 C3 82 TYR HB2 HA 0.090000 1.0080 0 4077 C3 82 TYR CG CA 0.000000 12.0110 0 4078 C3 82 TYR CD1 CA -0.115000 12.0110 0 4079 C3 82 TYR HD1 HP 0.115000 1.0080 0 4080 C3 82 TYR CE1 CA -0.115000 12.0110 0 4081 C3 82 TYR HE1 HP 0.115000 1.0080 0 4082 C3 82 TYR CZ CA 0.110000 12.0110 0 4083 C3 82 TYR OH OH1 -0.540000 15.9990 0 4084 C3 82 TYR HH H 0.430000 1.0080 0 4085 C3 82 TYR CD2 CA -0.115000 12.0110 0 4086 C3 82 TYR HD2 HP 0.115000 1.0080 0 4087 C3 82 TYR CE2 CA -0.115000 12.0110 0 4088 C3 82 TYR HE2 HP 0.115000 1.0080 0 4089 C3 82 TYR C C 0.510000 12.0110 0 4090 C3 82 TYR O O -0.510000 15.9990 0 4091 C3 83 PRO N N -0.290000 14.0070 0 4092 C3 83 PRO CD CP3 0.000000 12.0110 0 4093 C3 83 PRO HD1 HA 0.090000 1.0080 0 4094 C3 83 PRO HD2 HA 0.090000 1.0080 0 4095 C3 83 PRO CA CP1 0.020000 12.0110 0 4096 C3 83 PRO HA HB 0.090000 1.0080 0 4097 C3 83 PRO CB CP2 -0.180000 12.0110 0 4098 C3 83 PRO HB1 HA 0.090000 1.0080 0 4099 C3 83 PRO HB2 HA 0.090000 1.0080 0 4100 C3 83 PRO CG CP2 -0.180000 12.0110 0 4101 C3 83 PRO HG1 HA 0.090000 1.0080 0 4102 C3 83 PRO HG2 HA 0.090000 1.0080 0 4103 C3 83 PRO C C 0.510000 12.0110 0 4104 C3 83 PRO O O -0.510000 15.9990 0 4105 C3 84 VAL N NH1 -0.470000 14.0070 0 4106 C3 84 VAL HN H 0.310000 1.0080 0 4107 C3 84 VAL CA CT1 0.070000 12.0110 0 4108 C3 84 VAL HA HB 0.090000 1.0080 0 4109 C3 84 VAL CB CT1 -0.090000 12.0110 0 4110 C3 84 VAL HB HA 0.090000 1.0080 0 4111 C3 84 VAL CG1 CT3 -0.270000 12.0110 0 4112 C3 84 VAL HG11 HA 0.090000 1.0080 0 4113 C3 84 VAL HG12 HA 0.090000 1.0080 0 4114 C3 84 VAL HG13 HA 0.090000 1.0080 0 4115 C3 84 VAL CG2 CT3 -0.270000 12.0110 0 4116 C3 84 VAL HG21 HA 0.090000 1.0080 0 4117 C3 84 VAL HG22 HA 0.090000 1.0080 0 4118 C3 84 VAL HG23 HA 0.090000 1.0080 0 4119 C3 84 VAL C C 0.510000 12.0110 0 4120 C3 84 VAL O O -0.510000 15.9990 0 4121 C3 85 THR N NH1 -0.470000 14.0070 0 4122 C3 85 THR HN H 0.310000 1.0080 0 4123 C3 85 THR CA CT1 0.070000 12.0110 0 4124 C3 85 THR HA HB 0.090000 1.0080 0 4125 C3 85 THR CB CT1 0.140000 12.0110 0 4126 C3 85 THR HB HA 0.090000 1.0080 0 4127 C3 85 THR OG1 OH1 -0.660000 15.9990 0 4128 C3 85 THR HG1 H 0.430000 1.0080 0 4129 C3 85 THR CG2 CT3 -0.270000 12.0110 0 4130 C3 85 THR HG21 HA 0.090000 1.0080 0 4131 C3 85 THR HG22 HA 0.090000 1.0080 0 4132 C3 85 THR HG23 HA 0.090000 1.0080 0 4133 C3 85 THR C C 0.510000 12.0110 0 4134 C3 85 THR O O -0.510000 15.9990 0 4135 C3 86 LEU N NH1 -0.470000 14.0070 0 4136 C3 86 LEU HN H 0.310000 1.0080 0 4137 C3 86 LEU CA CT1 0.070000 12.0110 0 4138 C3 86 LEU HA HB 0.090000 1.0080 0 4139 C3 86 LEU CB CT2 -0.180000 12.0110 0 4140 C3 86 LEU HB1 HA 0.090000 1.0080 0 4141 C3 86 LEU HB2 HA 0.090000 1.0080 0 4142 C3 86 LEU CG CT1 -0.090000 12.0110 0 4143 C3 86 LEU HG HA 0.090000 1.0080 0 4144 C3 86 LEU CD1 CT3 -0.270000 12.0110 0 4145 C3 86 LEU HD11 HA 0.090000 1.0080 0 4146 C3 86 LEU HD12 HA 0.090000 1.0080 0 4147 C3 86 LEU HD13 HA 0.090000 1.0080 0 4148 C3 86 LEU CD2 CT3 -0.270000 12.0110 0 4149 C3 86 LEU HD21 HA 0.090000 1.0080 0 4150 C3 86 LEU HD22 HA 0.090000 1.0080 0 4151 C3 86 LEU HD23 HA 0.090000 1.0080 0 4152 C3 86 LEU C C 0.510000 12.0110 0 4153 C3 86 LEU O O -0.510000 15.9990 0 4154 C3 87 TRP N NH1 -0.470000 14.0070 0 4155 C3 87 TRP HN H 0.310000 1.0080 0 4156 C3 87 TRP CA CT1 0.070000 12.0110 0 4157 C3 87 TRP HA HB 0.090000 1.0080 0 4158 C3 87 TRP CB CT2 -0.180000 12.0110 0 4159 C3 87 TRP HB1 HA 0.090000 1.0080 0 4160 C3 87 TRP HB2 HA 0.090000 1.0080 0 4161 C3 87 TRP CG CY -0.030000 12.0110 0 4162 C3 87 TRP CD1 CA 0.035000 12.0110 0 4163 C3 87 TRP HD1 HP 0.115000 1.0080 0 4164 C3 87 TRP NE1 NY -0.610000 14.0070 0 4165 C3 87 TRP HE1 H 0.380000 1.0080 0 4166 C3 87 TRP CE2 CPT 0.130000 12.0110 0 4167 C3 87 TRP CD2 CPT -0.020000 12.0110 0 4168 C3 87 TRP CE3 CA -0.115000 12.0110 0 4169 C3 87 TRP HE3 HP 0.115000 1.0080 0 4170 C3 87 TRP CZ3 CA -0.115000 12.0110 0 4171 C3 87 TRP HZ3 HP 0.115000 1.0080 0 4172 C3 87 TRP CZ2 CA -0.115000 12.0110 0 4173 C3 87 TRP HZ2 HP 0.115000 1.0080 0 4174 C3 87 TRP CH2 CA -0.115000 12.0110 0 4175 C3 87 TRP HH2 HP 0.115000 1.0080 0 4176 C3 87 TRP C C 0.510000 12.0110 0 4177 C3 87 TRP O O -0.510000 15.9990 0 4178 C3 88 GLY N NH1 -0.470000 14.0070 0 4179 C3 88 GLY HN H 0.310000 1.0080 0 4180 C3 88 GLY CA CT2 -0.020000 12.0110 0 4181 C3 88 GLY HA1 HB 0.090000 1.0080 0 4182 C3 88 GLY HA2 HB 0.090000 1.0080 0 4183 C3 88 GLY C C 0.510000 12.0110 0 4184 C3 88 GLY O O -0.510000 15.9990 0 4185 C3 89 ARG N NH1 -0.470000 14.0070 0 4186 C3 89 ARG HN H 0.310000 1.0080 0 4187 C3 89 ARG CA CT1 0.070000 12.0110 0 4188 C3 89 ARG HA HB 0.090000 1.0080 0 4189 C3 89 ARG CB CT2 -0.180000 12.0110 0 4190 C3 89 ARG HB1 HA 0.090000 1.0080 0 4191 C3 89 ARG HB2 HA 0.090000 1.0080 0 4192 C3 89 ARG CG CT2 -0.180000 12.0110 0 4193 C3 89 ARG HG1 HA 0.090000 1.0080 0 4194 C3 89 ARG HG2 HA 0.090000 1.0080 0 4195 C3 89 ARG CD CT2 0.200000 12.0110 0 4196 C3 89 ARG HD1 HA 0.090000 1.0080 0 4197 C3 89 ARG HD2 HA 0.090000 1.0080 0 4198 C3 89 ARG NE NC2 -0.700000 14.0070 0 4199 C3 89 ARG HE HC 0.440000 1.0080 0 4200 C3 89 ARG CZ C 0.640000 12.0110 0 4201 C3 89 ARG NH1 NC2 -0.800000 14.0070 0 4202 C3 89 ARG HH11 HC 0.460000 1.0080 0 4203 C3 89 ARG HH12 HC 0.460000 1.0080 0 4204 C3 89 ARG NH2 NC2 -0.800000 14.0070 0 4205 C3 89 ARG HH21 HC 0.460000 1.0080 0 4206 C3 89 ARG HH22 HC 0.460000 1.0080 0 4207 C3 89 ARG C C 0.510000 12.0110 0 4208 C3 89 ARG O O -0.510000 15.9990 0 4209 C3 90 CYS N NH1 -0.470000 14.0070 0 4210 C3 90 CYS HN H 0.310000 1.0080 0 4211 C3 90 CYS CA CT1 0.070000 12.0110 0 4212 C3 90 CYS HA HB 0.090000 1.0080 0 4213 C3 90 CYS CB CT2 -0.110000 12.0110 0 4214 C3 90 CYS HB1 HA 0.090000 1.0080 0 4215 C3 90 CYS HB2 HA 0.090000 1.0080 0 4216 C3 90 CYS SG S -0.230000 32.0600 0 4217 C3 90 CYS HG1 HS 0.160000 1.0080 0 4218 C3 90 CYS C C 0.510000 12.0110 0 4219 C3 90 CYS O O -0.510000 15.9990 0 4220 C3 91 VAL N NH1 -0.470000 14.0070 0 4221 C3 91 VAL HN H 0.310000 1.0080 0 4222 C3 91 VAL CA CT1 0.070000 12.0110 0 4223 C3 91 VAL HA HB 0.090000 1.0080 0 4224 C3 91 VAL CB CT1 -0.090000 12.0110 0 4225 C3 91 VAL HB HA 0.090000 1.0080 0 4226 C3 91 VAL CG1 CT3 -0.270000 12.0110 0 4227 C3 91 VAL HG11 HA 0.090000 1.0080 0 4228 C3 91 VAL HG12 HA 0.090000 1.0080 0 4229 C3 91 VAL HG13 HA 0.090000 1.0080 0 4230 C3 91 VAL CG2 CT3 -0.270000 12.0110 0 4231 C3 91 VAL HG21 HA 0.090000 1.0080 0 4232 C3 91 VAL HG22 HA 0.090000 1.0080 0 4233 C3 91 VAL HG23 HA 0.090000 1.0080 0 4234 C3 91 VAL C C 0.510000 12.0110 0 4235 C3 91 VAL O O -0.510000 15.9990 0 4236 C3 92 ALA N NH1 -0.470000 14.0070 0 4237 C3 92 ALA HN H 0.310000 1.0080 0 4238 C3 92 ALA CA CT1 0.070000 12.0110 0 4239 C3 92 ALA HA HB 0.090000 1.0080 0 4240 C3 92 ALA CB CT3 -0.270000 12.0110 0 4241 C3 92 ALA HB1 HA 0.090000 1.0080 0 4242 C3 92 ALA HB2 HA 0.090000 1.0080 0 4243 C3 92 ALA HB3 HA 0.090000 1.0080 0 4244 C3 92 ALA C C 0.510000 12.0110 0 4245 C3 92 ALA O O -0.510000 15.9990 0 4246 C3 93 VAL N NH1 -0.470000 14.0070 0 4247 C3 93 VAL HN H 0.310000 1.0080 0 4248 C3 93 VAL CA CT1 0.070000 12.0110 0 4249 C3 93 VAL HA HB 0.090000 1.0080 0 4250 C3 93 VAL CB CT1 -0.090000 12.0110 0 4251 C3 93 VAL HB HA 0.090000 1.0080 0 4252 C3 93 VAL CG1 CT3 -0.270000 12.0110 0 4253 C3 93 VAL HG11 HA 0.090000 1.0080 0 4254 C3 93 VAL HG12 HA 0.090000 1.0080 0 4255 C3 93 VAL HG13 HA 0.090000 1.0080 0 4256 C3 93 VAL CG2 CT3 -0.270000 12.0110 0 4257 C3 93 VAL HG21 HA 0.090000 1.0080 0 4258 C3 93 VAL HG22 HA 0.090000 1.0080 0 4259 C3 93 VAL HG23 HA 0.090000 1.0080 0 4260 C3 93 VAL C C 0.510000 12.0110 0 4261 C3 93 VAL O O -0.510000 15.9990 0 4262 C3 94 VAL N NH1 -0.470000 14.0070 0 4263 C3 94 VAL HN H 0.310000 1.0080 0 4264 C3 94 VAL CA CT1 0.070000 12.0110 0 4265 C3 94 VAL HA HB 0.090000 1.0080 0 4266 C3 94 VAL CB CT1 -0.090000 12.0110 0 4267 C3 94 VAL HB HA 0.090000 1.0080 0 4268 C3 94 VAL CG1 CT3 -0.270000 12.0110 0 4269 C3 94 VAL HG11 HA 0.090000 1.0080 0 4270 C3 94 VAL HG12 HA 0.090000 1.0080 0 4271 C3 94 VAL HG13 HA 0.090000 1.0080 0 4272 C3 94 VAL CG2 CT3 -0.270000 12.0110 0 4273 C3 94 VAL HG21 HA 0.090000 1.0080 0 4274 C3 94 VAL HG22 HA 0.090000 1.0080 0 4275 C3 94 VAL HG23 HA 0.090000 1.0080 0 4276 C3 94 VAL C C 0.510000 12.0110 0 4277 C3 94 VAL O O -0.510000 15.9990 0 4278 C3 95 VAL N NH1 -0.470000 14.0070 0 4279 C3 95 VAL HN H 0.310000 1.0080 0 4280 C3 95 VAL CA CT1 0.070000 12.0110 0 4281 C3 95 VAL HA HB 0.090000 1.0080 0 4282 C3 95 VAL CB CT1 -0.090000 12.0110 0 4283 C3 95 VAL HB HA 0.090000 1.0080 0 4284 C3 95 VAL CG1 CT3 -0.270000 12.0110 0 4285 C3 95 VAL HG11 HA 0.090000 1.0080 0 4286 C3 95 VAL HG12 HA 0.090000 1.0080 0 4287 C3 95 VAL HG13 HA 0.090000 1.0080 0 4288 C3 95 VAL CG2 CT3 -0.270000 12.0110 0 4289 C3 95 VAL HG21 HA 0.090000 1.0080 0 4290 C3 95 VAL HG22 HA 0.090000 1.0080 0 4291 C3 95 VAL HG23 HA 0.090000 1.0080 0 4292 C3 95 VAL C C 0.510000 12.0110 0 4293 C3 95 VAL O O -0.510000 15.9990 0 4294 C3 96 MET N NH1 -0.470000 14.0070 0 4295 C3 96 MET HN H 0.310000 1.0080 0 4296 C3 96 MET CA CT1 0.070000 12.0110 0 4297 C3 96 MET HA HB 0.090000 1.0080 0 4298 C3 96 MET CB CT2 -0.180000 12.0110 0 4299 C3 96 MET HB1 HA 0.090000 1.0080 0 4300 C3 96 MET HB2 HA 0.090000 1.0080 0 4301 C3 96 MET CG CT2 -0.140000 12.0110 0 4302 C3 96 MET HG1 HA 0.090000 1.0080 0 4303 C3 96 MET HG2 HA 0.090000 1.0080 0 4304 C3 96 MET SD S -0.090000 32.0600 0 4305 C3 96 MET CE CT3 -0.220000 12.0110 0 4306 C3 96 MET HE1 HA 0.090000 1.0080 0 4307 C3 96 MET HE2 HA 0.090000 1.0080 0 4308 C3 96 MET HE3 HA 0.090000 1.0080 0 4309 C3 96 MET C C 0.510000 12.0110 0 4310 C3 96 MET O O -0.510000 15.9990 0 4311 C3 97 VAL N NH1 -0.470000 14.0070 0 4312 C3 97 VAL HN H 0.310000 1.0080 0 4313 C3 97 VAL CA CT1 0.070000 12.0110 0 4314 C3 97 VAL HA HB 0.090000 1.0080 0 4315 C3 97 VAL CB CT1 -0.090000 12.0110 0 4316 C3 97 VAL HB HA 0.090000 1.0080 0 4317 C3 97 VAL CG1 CT3 -0.270000 12.0110 0 4318 C3 97 VAL HG11 HA 0.090000 1.0080 0 4319 C3 97 VAL HG12 HA 0.090000 1.0080 0 4320 C3 97 VAL HG13 HA 0.090000 1.0080 0 4321 C3 97 VAL CG2 CT3 -0.270000 12.0110 0 4322 C3 97 VAL HG21 HA 0.090000 1.0080 0 4323 C3 97 VAL HG22 HA 0.090000 1.0080 0 4324 C3 97 VAL HG23 HA 0.090000 1.0080 0 4325 C3 97 VAL C C 0.510000 12.0110 0 4326 C3 97 VAL O O -0.510000 15.9990 0 4327 C3 98 ALA N NH1 -0.470000 14.0070 0 4328 C3 98 ALA HN H 0.310000 1.0080 0 4329 C3 98 ALA CA CT1 0.070000 12.0110 0 4330 C3 98 ALA HA HB 0.090000 1.0080 0 4331 C3 98 ALA CB CT3 -0.270000 12.0110 0 4332 C3 98 ALA HB1 HA 0.090000 1.0080 0 4333 C3 98 ALA HB2 HA 0.090000 1.0080 0 4334 C3 98 ALA HB3 HA 0.090000 1.0080 0 4335 C3 98 ALA C C 0.510000 12.0110 0 4336 C3 98 ALA O O -0.510000 15.9990 0 4337 C3 99 GLY N NH1 -0.470000 14.0070 0 4338 C3 99 GLY HN H 0.310000 1.0080 0 4339 C3 99 GLY CA CT2 -0.020000 12.0110 0 4340 C3 99 GLY HA1 HB 0.090000 1.0080 0 4341 C3 99 GLY HA2 HB 0.090000 1.0080 0 4342 C3 99 GLY C C 0.510000 12.0110 0 4343 C3 99 GLY O O -0.510000 15.9990 0 4344 C3 100 ILE N NH1 -0.470000 14.0070 0 4345 C3 100 ILE HN H 0.310000 1.0080 0 4346 C3 100 ILE CA CT1 0.070000 12.0110 0 4347 C3 100 ILE HA HB 0.090000 1.0080 0 4348 C3 100 ILE CB CT1 -0.090000 12.0110 0 4349 C3 100 ILE HB HA 0.090000 1.0080 0 4350 C3 100 ILE CG2 CT3 -0.270000 12.0110 0 4351 C3 100 ILE HG21 HA 0.090000 1.0080 0 4352 C3 100 ILE HG22 HA 0.090000 1.0080 0 4353 C3 100 ILE HG23 HA 0.090000 1.0080 0 4354 C3 100 ILE CG1 CT2 -0.180000 12.0110 0 4355 C3 100 ILE HG11 HA 0.090000 1.0080 0 4356 C3 100 ILE HG12 HA 0.090000 1.0080 0 4357 C3 100 ILE CD CT3 -0.270000 12.0110 0 4358 C3 100 ILE HD1 HA 0.090000 1.0080 0 4359 C3 100 ILE HD2 HA 0.090000 1.0080 0 4360 C3 100 ILE HD3 HA 0.090000 1.0080 0 4361 C3 100 ILE C C 0.510000 12.0110 0 4362 C3 100 ILE O O -0.510000 15.9990 0 4363 C3 101 THR N NH1 -0.470000 14.0070 0 4364 C3 101 THR HN H 0.310000 1.0080 0 4365 C3 101 THR CA CT1 0.070000 12.0110 0 4366 C3 101 THR HA HB 0.090000 1.0080 0 4367 C3 101 THR CB CT1 0.140000 12.0110 0 4368 C3 101 THR HB HA 0.090000 1.0080 0 4369 C3 101 THR OG1 OH1 -0.660000 15.9990 0 4370 C3 101 THR HG1 H 0.430000 1.0080 0 4371 C3 101 THR CG2 CT3 -0.270000 12.0110 0 4372 C3 101 THR HG21 HA 0.090000 1.0080 0 4373 C3 101 THR HG22 HA 0.090000 1.0080 0 4374 C3 101 THR HG23 HA 0.090000 1.0080 0 4375 C3 101 THR C C 0.510000 12.0110 0 4376 C3 101 THR O O -0.510000 15.9990 0 4377 C3 102 SER N NH1 -0.470000 14.0070 0 4378 C3 102 SER HN H 0.310000 1.0080 0 4379 C3 102 SER CA CT1 0.070000 12.0110 0 4380 C3 102 SER HA HB 0.090000 1.0080 0 4381 C3 102 SER CB CT2 0.050000 12.0110 0 4382 C3 102 SER HB1 HA 0.090000 1.0080 0 4383 C3 102 SER HB2 HA 0.090000 1.0080 0 4384 C3 102 SER OG OH1 -0.660000 15.9990 0 4385 C3 102 SER HG1 H 0.430000 1.0080 0 4386 C3 102 SER C C 0.510000 12.0110 0 4387 C3 102 SER O O -0.510000 15.9990 0 4388 C3 103 PHE N NH1 -0.470000 14.0070 0 4389 C3 103 PHE HN H 0.310000 1.0080 0 4390 C3 103 PHE CA CT1 0.070000 12.0110 0 4391 C3 103 PHE HA HB 0.090000 1.0080 0 4392 C3 103 PHE CB CT2 -0.180000 12.0110 0 4393 C3 103 PHE HB1 HA 0.090000 1.0080 0 4394 C3 103 PHE HB2 HA 0.090000 1.0080 0 4395 C3 103 PHE CG CA 0.000000 12.0110 0 4396 C3 103 PHE CD1 CA -0.115000 12.0110 0 4397 C3 103 PHE HD1 HP 0.115000 1.0080 0 4398 C3 103 PHE CE1 CA -0.115000 12.0110 0 4399 C3 103 PHE HE1 HP 0.115000 1.0080 0 4400 C3 103 PHE CZ CA -0.115000 12.0110 0 4401 C3 103 PHE HZ HP 0.115000 1.0080 0 4402 C3 103 PHE CD2 CA -0.115000 12.0110 0 4403 C3 103 PHE HD2 HP 0.115000 1.0080 0 4404 C3 103 PHE CE2 CA -0.115000 12.0110 0 4405 C3 103 PHE HE2 HP 0.115000 1.0080 0 4406 C3 103 PHE C C 0.510000 12.0110 0 4407 C3 103 PHE O O -0.510000 15.9990 0 4408 C3 104 GLY N NH1 -0.470000 14.0070 0 4409 C3 104 GLY HN H 0.310000 1.0080 0 4410 C3 104 GLY CA CT2 -0.020000 12.0110 0 4411 C3 104 GLY HA1 HB 0.090000 1.0080 0 4412 C3 104 GLY HA2 HB 0.090000 1.0080 0 4413 C3 104 GLY C C 0.510000 12.0110 0 4414 C3 104 GLY O O -0.510000 15.9990 0 4415 C3 105 LEU N NH1 -0.470000 14.0070 0 4416 C3 105 LEU HN H 0.310000 1.0080 0 4417 C3 105 LEU CA CT1 0.070000 12.0110 0 4418 C3 105 LEU HA HB 0.090000 1.0080 0 4419 C3 105 LEU CB CT2 -0.180000 12.0110 0 4420 C3 105 LEU HB1 HA 0.090000 1.0080 0 4421 C3 105 LEU HB2 HA 0.090000 1.0080 0 4422 C3 105 LEU CG CT1 -0.090000 12.0110 0 4423 C3 105 LEU HG HA 0.090000 1.0080 0 4424 C3 105 LEU CD1 CT3 -0.270000 12.0110 0 4425 C3 105 LEU HD11 HA 0.090000 1.0080 0 4426 C3 105 LEU HD12 HA 0.090000 1.0080 0 4427 C3 105 LEU HD13 HA 0.090000 1.0080 0 4428 C3 105 LEU CD2 CT3 -0.270000 12.0110 0 4429 C3 105 LEU HD21 HA 0.090000 1.0080 0 4430 C3 105 LEU HD22 HA 0.090000 1.0080 0 4431 C3 105 LEU HD23 HA 0.090000 1.0080 0 4432 C3 105 LEU C C 0.510000 12.0110 0 4433 C3 105 LEU O O -0.510000 15.9990 0 4434 C3 106 VAL N NH1 -0.470000 14.0070 0 4435 C3 106 VAL HN H 0.310000 1.0080 0 4436 C3 106 VAL CA CT1 0.070000 12.0110 0 4437 C3 106 VAL HA HB 0.090000 1.0080 0 4438 C3 106 VAL CB CT1 -0.090000 12.0110 0 4439 C3 106 VAL HB HA 0.090000 1.0080 0 4440 C3 106 VAL CG1 CT3 -0.270000 12.0110 0 4441 C3 106 VAL HG11 HA 0.090000 1.0080 0 4442 C3 106 VAL HG12 HA 0.090000 1.0080 0 4443 C3 106 VAL HG13 HA 0.090000 1.0080 0 4444 C3 106 VAL CG2 CT3 -0.270000 12.0110 0 4445 C3 106 VAL HG21 HA 0.090000 1.0080 0 4446 C3 106 VAL HG22 HA 0.090000 1.0080 0 4447 C3 106 VAL HG23 HA 0.090000 1.0080 0 4448 C3 106 VAL C C 0.510000 12.0110 0 4449 C3 106 VAL O O -0.510000 15.9990 0 4450 C3 107 THR N NH1 -0.470000 14.0070 0 4451 C3 107 THR HN H 0.310000 1.0080 0 4452 C3 107 THR CA CT1 0.070000 12.0110 0 4453 C3 107 THR HA HB 0.090000 1.0080 0 4454 C3 107 THR CB CT1 0.140000 12.0110 0 4455 C3 107 THR HB HA 0.090000 1.0080 0 4456 C3 107 THR OG1 OH1 -0.660000 15.9990 0 4457 C3 107 THR HG1 H 0.430000 1.0080 0 4458 C3 107 THR CG2 CT3 -0.270000 12.0110 0 4459 C3 107 THR HG21 HA 0.090000 1.0080 0 4460 C3 107 THR HG22 HA 0.090000 1.0080 0 4461 C3 107 THR HG23 HA 0.090000 1.0080 0 4462 C3 107 THR C C 0.510000 12.0110 0 4463 C3 107 THR O O -0.510000 15.9990 0 4464 C3 108 ALA N NH1 -0.470000 14.0070 0 4465 C3 108 ALA HN H 0.310000 1.0080 0 4466 C3 108 ALA CA CT1 0.070000 12.0110 0 4467 C3 108 ALA HA HB 0.090000 1.0080 0 4468 C3 108 ALA CB CT3 -0.270000 12.0110 0 4469 C3 108 ALA HB1 HA 0.090000 1.0080 0 4470 C3 108 ALA HB2 HA 0.090000 1.0080 0 4471 C3 108 ALA HB3 HA 0.090000 1.0080 0 4472 C3 108 ALA C C 0.510000 12.0110 0 4473 C3 108 ALA O O -0.510000 15.9990 0 4474 C3 109 ALA N NH1 -0.470000 14.0070 0 4475 C3 109 ALA HN H 0.310000 1.0080 0 4476 C3 109 ALA CA CT1 0.070000 12.0110 0 4477 C3 109 ALA HA HB 0.090000 1.0080 0 4478 C3 109 ALA CB CT3 -0.270000 12.0110 0 4479 C3 109 ALA HB1 HA 0.090000 1.0080 0 4480 C3 109 ALA HB2 HA 0.090000 1.0080 0 4481 C3 109 ALA HB3 HA 0.090000 1.0080 0 4482 C3 109 ALA C C 0.510000 12.0110 0 4483 C3 109 ALA O O -0.510000 15.9990 0 4484 C3 110 LEU N NH1 -0.470000 14.0070 0 4485 C3 110 LEU HN H 0.310000 1.0080 0 4486 C3 110 LEU CA CT1 0.070000 12.0110 0 4487 C3 110 LEU HA HB 0.090000 1.0080 0 4488 C3 110 LEU CB CT2 -0.180000 12.0110 0 4489 C3 110 LEU HB1 HA 0.090000 1.0080 0 4490 C3 110 LEU HB2 HA 0.090000 1.0080 0 4491 C3 110 LEU CG CT1 -0.090000 12.0110 0 4492 C3 110 LEU HG HA 0.090000 1.0080 0 4493 C3 110 LEU CD1 CT3 -0.270000 12.0110 0 4494 C3 110 LEU HD11 HA 0.090000 1.0080 0 4495 C3 110 LEU HD12 HA 0.090000 1.0080 0 4496 C3 110 LEU HD13 HA 0.090000 1.0080 0 4497 C3 110 LEU CD2 CT3 -0.270000 12.0110 0 4498 C3 110 LEU HD21 HA 0.090000 1.0080 0 4499 C3 110 LEU HD22 HA 0.090000 1.0080 0 4500 C3 110 LEU HD23 HA 0.090000 1.0080 0 4501 C3 110 LEU C C 0.510000 12.0110 0 4502 C3 110 LEU O O -0.510000 15.9990 0 4503 C3 111 ALA N NH1 -0.470000 14.0070 0 4504 C3 111 ALA HN H 0.310000 1.0080 0 4505 C3 111 ALA CA CT1 0.070000 12.0110 0 4506 C3 111 ALA HA HB 0.090000 1.0080 0 4507 C3 111 ALA CB CT3 -0.270000 12.0110 0 4508 C3 111 ALA HB1 HA 0.090000 1.0080 0 4509 C3 111 ALA HB2 HA 0.090000 1.0080 0 4510 C3 111 ALA HB3 HA 0.090000 1.0080 0 4511 C3 111 ALA C C 0.510000 12.0110 0 4512 C3 111 ALA O O -0.510000 15.9990 0 4513 C3 112 THR N NH1 -0.470000 14.0070 0 4514 C3 112 THR HN H 0.310000 1.0080 0 4515 C3 112 THR CA CT1 0.070000 12.0110 0 4516 C3 112 THR HA HB 0.090000 1.0080 0 4517 C3 112 THR CB CT1 0.140000 12.0110 0 4518 C3 112 THR HB HA 0.090000 1.0080 0 4519 C3 112 THR OG1 OH1 -0.660000 15.9990 0 4520 C3 112 THR HG1 H 0.430000 1.0080 0 4521 C3 112 THR CG2 CT3 -0.270000 12.0110 0 4522 C3 112 THR HG21 HA 0.090000 1.0080 0 4523 C3 112 THR HG22 HA 0.090000 1.0080 0 4524 C3 112 THR HG23 HA 0.090000 1.0080 0 4525 C3 112 THR C C 0.510000 12.0110 0 4526 C3 112 THR O O -0.510000 15.9990 0 4527 C3 113 TRP N NH1 -0.470000 14.0070 0 4528 C3 113 TRP HN H 0.310000 1.0080 0 4529 C3 113 TRP CA CT1 0.070000 12.0110 0 4530 C3 113 TRP HA HB 0.090000 1.0080 0 4531 C3 113 TRP CB CT2 -0.180000 12.0110 0 4532 C3 113 TRP HB1 HA 0.090000 1.0080 0 4533 C3 113 TRP HB2 HA 0.090000 1.0080 0 4534 C3 113 TRP CG CY -0.030000 12.0110 0 4535 C3 113 TRP CD1 CA 0.035000 12.0110 0 4536 C3 113 TRP HD1 HP 0.115000 1.0080 0 4537 C3 113 TRP NE1 NY -0.610000 14.0070 0 4538 C3 113 TRP HE1 H 0.380000 1.0080 0 4539 C3 113 TRP CE2 CPT 0.130000 12.0110 0 4540 C3 113 TRP CD2 CPT -0.020000 12.0110 0 4541 C3 113 TRP CE3 CA -0.115000 12.0110 0 4542 C3 113 TRP HE3 HP 0.115000 1.0080 0 4543 C3 113 TRP CZ3 CA -0.115000 12.0110 0 4544 C3 113 TRP HZ3 HP 0.115000 1.0080 0 4545 C3 113 TRP CZ2 CA -0.115000 12.0110 0 4546 C3 113 TRP HZ2 HP 0.115000 1.0080 0 4547 C3 113 TRP CH2 CA -0.115000 12.0110 0 4548 C3 113 TRP HH2 HP 0.115000 1.0080 0 4549 C3 113 TRP C C 0.510000 12.0110 0 4550 C3 113 TRP O O -0.510000 15.9990 0 4551 C3 114 PHE N NH1 -0.470000 14.0070 0 4552 C3 114 PHE HN H 0.310000 1.0080 0 4553 C3 114 PHE CA CT1 0.070000 12.0110 0 4554 C3 114 PHE HA HB 0.090000 1.0080 0 4555 C3 114 PHE CB CT2 -0.180000 12.0110 0 4556 C3 114 PHE HB1 HA 0.090000 1.0080 0 4557 C3 114 PHE HB2 HA 0.090000 1.0080 0 4558 C3 114 PHE CG CA 0.000000 12.0110 0 4559 C3 114 PHE CD1 CA -0.115000 12.0110 0 4560 C3 114 PHE HD1 HP 0.115000 1.0080 0 4561 C3 114 PHE CE1 CA -0.115000 12.0110 0 4562 C3 114 PHE HE1 HP 0.115000 1.0080 0 4563 C3 114 PHE CZ CA -0.115000 12.0110 0 4564 C3 114 PHE HZ HP 0.115000 1.0080 0 4565 C3 114 PHE CD2 CA -0.115000 12.0110 0 4566 C3 114 PHE HD2 HP 0.115000 1.0080 0 4567 C3 114 PHE CE2 CA -0.115000 12.0110 0 4568 C3 114 PHE HE2 HP 0.115000 1.0080 0 4569 C3 114 PHE C C 0.510000 12.0110 0 4570 C3 114 PHE O O -0.510000 15.9990 0 4571 C3 115 VAL N NH1 -0.470000 14.0070 0 4572 C3 115 VAL HN H 0.310000 1.0080 0 4573 C3 115 VAL CA CT1 0.070000 12.0110 0 4574 C3 115 VAL HA HB 0.090000 1.0080 0 4575 C3 115 VAL CB CT1 -0.090000 12.0110 0 4576 C3 115 VAL HB HA 0.090000 1.0080 0 4577 C3 115 VAL CG1 CT3 -0.270000 12.0110 0 4578 C3 115 VAL HG11 HA 0.090000 1.0080 0 4579 C3 115 VAL HG12 HA 0.090000 1.0080 0 4580 C3 115 VAL HG13 HA 0.090000 1.0080 0 4581 C3 115 VAL CG2 CT3 -0.270000 12.0110 0 4582 C3 115 VAL HG21 HA 0.090000 1.0080 0 4583 C3 115 VAL HG22 HA 0.090000 1.0080 0 4584 C3 115 VAL HG23 HA 0.090000 1.0080 0 4585 C3 115 VAL C C 0.510000 12.0110 0 4586 C3 115 VAL O O -0.510000 15.9990 0 4587 C3 116 GLY N NH1 -0.470000 14.0070 0 4588 C3 116 GLY HN H 0.310000 1.0080 0 4589 C3 116 GLY CA CT2 -0.020000 12.0110 0 4590 C3 116 GLY HA1 HB 0.090000 1.0080 0 4591 C3 116 GLY HA2 HB 0.090000 1.0080 0 4592 C3 116 GLY C C 0.510000 12.0110 0 4593 C3 116 GLY O O -0.510000 15.9990 0 4594 C3 117 ARG N NH1 -0.470000 14.0070 0 4595 C3 117 ARG HN H 0.310000 1.0080 0 4596 C3 117 ARG CA CT1 0.070000 12.0110 0 4597 C3 117 ARG HA HB 0.090000 1.0080 0 4598 C3 117 ARG CB CT2 -0.180000 12.0110 0 4599 C3 117 ARG HB1 HA 0.090000 1.0080 0 4600 C3 117 ARG HB2 HA 0.090000 1.0080 0 4601 C3 117 ARG CG CT2 -0.180000 12.0110 0 4602 C3 117 ARG HG1 HA 0.090000 1.0080 0 4603 C3 117 ARG HG2 HA 0.090000 1.0080 0 4604 C3 117 ARG CD CT2 0.200000 12.0110 0 4605 C3 117 ARG HD1 HA 0.090000 1.0080 0 4606 C3 117 ARG HD2 HA 0.090000 1.0080 0 4607 C3 117 ARG NE NC2 -0.700000 14.0070 0 4608 C3 117 ARG HE HC 0.440000 1.0080 0 4609 C3 117 ARG CZ C 0.640000 12.0110 0 4610 C3 117 ARG NH1 NC2 -0.800000 14.0070 0 4611 C3 117 ARG HH11 HC 0.460000 1.0080 0 4612 C3 117 ARG HH12 HC 0.460000 1.0080 0 4613 C3 117 ARG NH2 NC2 -0.800000 14.0070 0 4614 C3 117 ARG HH21 HC 0.460000 1.0080 0 4615 C3 117 ARG HH22 HC 0.460000 1.0080 0 4616 C3 117 ARG C C 0.510000 12.0110 0 4617 C3 117 ARG O O -0.510000 15.9990 0 4618 C3 118 GLU N NH1 -0.470000 14.0070 0 4619 C3 118 GLU HN H 0.310000 1.0080 0 4620 C3 118 GLU CA CT1 0.070000 12.0110 0 4621 C3 118 GLU HA HB 0.090000 1.0080 0 4622 C3 118 GLU CB CT2 -0.180000 12.0110 0 4623 C3 118 GLU HB1 HA 0.090000 1.0080 0 4624 C3 118 GLU HB2 HA 0.090000 1.0080 0 4625 C3 118 GLU CG CT2 -0.280000 12.0110 0 4626 C3 118 GLU HG1 HA 0.090000 1.0080 0 4627 C3 118 GLU HG2 HA 0.090000 1.0080 0 4628 C3 118 GLU CD CC 0.620000 12.0110 0 4629 C3 118 GLU OE1 OC -0.760000 15.9990 0 4630 C3 118 GLU OE2 OC -0.760000 15.9990 0 4631 C3 118 GLU C C 0.510000 12.0110 0 4632 C3 118 GLU O O -0.510000 15.9990 0 4633 C3 119 GLN N NH1 -0.470000 14.0070 0 4634 C3 119 GLN HN H 0.310000 1.0080 0 4635 C3 119 GLN CA CT1 0.070000 12.0110 0 4636 C3 119 GLN HA HB 0.090000 1.0080 0 4637 C3 119 GLN CB CT2 -0.180000 12.0110 0 4638 C3 119 GLN HB1 HA 0.090000 1.0080 0 4639 C3 119 GLN HB2 HA 0.090000 1.0080 0 4640 C3 119 GLN CG CT2 -0.180000 12.0110 0 4641 C3 119 GLN HG1 HA 0.090000 1.0080 0 4642 C3 119 GLN HG2 HA 0.090000 1.0080 0 4643 C3 119 GLN CD CC 0.550000 12.0110 0 4644 C3 119 GLN OE1 O -0.550000 15.9990 0 4645 C3 119 GLN NE2 NH2 -0.620000 14.0070 0 4646 C3 119 GLN HE21 H 0.320000 1.0080 0 4647 C3 119 GLN HE22 H 0.300000 1.0080 0 4648 C3 119 GLN C C 0.510000 12.0110 0 4649 C3 119 GLN O O -0.510000 15.9990 0 4650 C3 120 GLU N NH1 -0.470000 14.0070 0 4651 C3 120 GLU HN H 0.310000 1.0080 0 4652 C3 120 GLU CA CT1 0.070000 12.0110 0 4653 C3 120 GLU HA HB 0.090000 1.0080 0 4654 C3 120 GLU CB CT2 -0.180000 12.0110 0 4655 C3 120 GLU HB1 HA 0.090000 1.0080 0 4656 C3 120 GLU HB2 HA 0.090000 1.0080 0 4657 C3 120 GLU CG CT2 -0.280000 12.0110 0 4658 C3 120 GLU HG1 HA 0.090000 1.0080 0 4659 C3 120 GLU HG2 HA 0.090000 1.0080 0 4660 C3 120 GLU CD CC 0.620000 12.0110 0 4661 C3 120 GLU OE1 OC -0.760000 15.9990 0 4662 C3 120 GLU OE2 OC -0.760000 15.9990 0 4663 C3 120 GLU C C 0.510000 12.0110 0 4664 C3 120 GLU O O -0.510000 15.9990 0 4665 C3 121 ARG N NH1 -0.470000 14.0070 0 4666 C3 121 ARG HN H 0.310000 1.0080 0 4667 C3 121 ARG CA CT1 0.070000 12.0110 0 4668 C3 121 ARG HA HB 0.090000 1.0080 0 4669 C3 121 ARG CB CT2 -0.180000 12.0110 0 4670 C3 121 ARG HB1 HA 0.090000 1.0080 0 4671 C3 121 ARG HB2 HA 0.090000 1.0080 0 4672 C3 121 ARG CG CT2 -0.180000 12.0110 0 4673 C3 121 ARG HG1 HA 0.090000 1.0080 0 4674 C3 121 ARG HG2 HA 0.090000 1.0080 0 4675 C3 121 ARG CD CT2 0.200000 12.0110 0 4676 C3 121 ARG HD1 HA 0.090000 1.0080 0 4677 C3 121 ARG HD2 HA 0.090000 1.0080 0 4678 C3 121 ARG NE NC2 -0.700000 14.0070 0 4679 C3 121 ARG HE HC 0.440000 1.0080 0 4680 C3 121 ARG CZ C 0.640000 12.0110 0 4681 C3 121 ARG NH1 NC2 -0.800000 14.0070 0 4682 C3 121 ARG HH11 HC 0.460000 1.0080 0 4683 C3 121 ARG HH12 HC 0.460000 1.0080 0 4684 C3 121 ARG NH2 NC2 -0.800000 14.0070 0 4685 C3 121 ARG HH21 HC 0.460000 1.0080 0 4686 C3 121 ARG HH22 HC 0.460000 1.0080 0 4687 C3 121 ARG C C 0.510000 12.0110 0 4688 C3 121 ARG O O -0.510000 15.9990 0 4689 C3 122 ARG N NH1 -0.470000 14.0070 0 4690 C3 122 ARG HN H 0.310000 1.0080 0 4691 C3 122 ARG CA CT1 0.070000 12.0110 0 4692 C3 122 ARG HA HB 0.090000 1.0080 0 4693 C3 122 ARG CB CT2 -0.180000 12.0110 0 4694 C3 122 ARG HB1 HA 0.090000 1.0080 0 4695 C3 122 ARG HB2 HA 0.090000 1.0080 0 4696 C3 122 ARG CG CT2 -0.180000 12.0110 0 4697 C3 122 ARG HG1 HA 0.090000 1.0080 0 4698 C3 122 ARG HG2 HA 0.090000 1.0080 0 4699 C3 122 ARG CD CT2 0.200000 12.0110 0 4700 C3 122 ARG HD1 HA 0.090000 1.0080 0 4701 C3 122 ARG HD2 HA 0.090000 1.0080 0 4702 C3 122 ARG NE NC2 -0.700000 14.0070 0 4703 C3 122 ARG HE HC 0.440000 1.0080 0 4704 C3 122 ARG CZ C 0.640000 12.0110 0 4705 C3 122 ARG NH1 NC2 -0.800000 14.0070 0 4706 C3 122 ARG HH11 HC 0.460000 1.0080 0 4707 C3 122 ARG HH12 HC 0.460000 1.0080 0 4708 C3 122 ARG NH2 NC2 -0.800000 14.0070 0 4709 C3 122 ARG HH21 HC 0.460000 1.0080 0 4710 C3 122 ARG HH22 HC 0.460000 1.0080 0 4711 C3 122 ARG C C 0.510000 12.0110 0 4712 C3 122 ARG O O -0.510000 15.9990 0 4713 C3 123 GLY N NH1 -0.470000 14.0070 0 4714 C3 123 GLY HN H 0.310000 1.0080 0 4715 C3 123 GLY CA CT2 -0.020000 12.0110 0 4716 C3 123 GLY HA1 HB 0.090000 1.0080 0 4717 C3 123 GLY HA2 HB 0.090000 1.0080 0 4718 C3 123 GLY C C 0.510000 12.0110 0 4719 C3 123 GLY O O -0.510000 15.9990 0 4720 C3 124 HSE C CC 0.340000 12.0110 0 4721 C3 124 HSE OT1 OC -0.670000 15.9990 0 4722 C3 124 HSE OT2 OC -0.670000 15.9990 0 4723 C3 124 HSE N NH1 -0.470000 14.0070 0 4724 C3 124 HSE HN H 0.310000 1.0080 0 4725 C3 124 HSE CA CT1 0.070000 12.0110 0 4726 C3 124 HSE HA HB 0.090000 1.0080 0 4727 C3 124 HSE CB CT2 -0.080000 12.0110 0 4728 C3 124 HSE HB1 HA 0.090000 1.0080 0 4729 C3 124 HSE HB2 HA 0.090000 1.0080 0 4730 C3 124 HSE ND1 NR2 -0.700000 14.0070 0 4731 C3 124 HSE CG CPH1 0.220000 12.0110 0 4732 C3 124 HSE CE1 CPH2 0.250000 12.0110 0 4733 C3 124 HSE HE1 HR1 0.130000 1.0080 0 4734 C3 124 HSE NE2 NR1 -0.360000 14.0070 0 4735 C3 124 HSE HE2 H 0.320000 1.0080 0 4736 C3 124 HSE CD2 CPH1 -0.050000 12.0110 0 4737 C3 124 HSE HD2 HR3 0.090000 1.0080 0 4738 W3 1 TIP3 OH2 OT -0.834000 15.9994 0 4739 W3 1 TIP3 H1 HT 0.417000 1.0080 0 4740 W3 1 TIP3 H2 HT 0.417000 1.0080 0 4741 W3 2 TIP3 OH2 OT -0.834000 15.9994 0 4742 W3 2 TIP3 H1 HT 0.417000 1.0080 0 4743 W3 2 TIP3 H2 HT 0.417000 1.0080 0 4744 W3 4 TIP3 OH2 OT -0.834000 15.9994 0 4745 W3 4 TIP3 H1 HT 0.417000 1.0080 0 4746 W3 4 TIP3 H2 HT 0.417000 1.0080 0 4747 W3 9 TIP3 OH2 OT -0.834000 15.9994 0 4748 W3 9 TIP3 H1 HT 0.417000 1.0080 0 4749 W3 9 TIP3 H2 HT 0.417000 1.0080 0 4750 C4 22 SER N NH3 -0.300000 14.0070 0 4751 C4 22 SER HT1 HC 0.330000 1.0080 0 4752 C4 22 SER HT2 HC 0.330000 1.0080 0 4753 C4 22 SER HT3 HC 0.330000 1.0080 0 4754 C4 22 SER CA CT1 0.210000 12.0110 0 4755 C4 22 SER HA HB 0.100000 1.0080 0 4756 C4 22 SER CB CT2 0.050000 12.0110 0 4757 C4 22 SER HB1 HA 0.090000 1.0080 0 4758 C4 22 SER HB2 HA 0.090000 1.0080 0 4759 C4 22 SER OG OH1 -0.660000 15.9990 0 4760 C4 22 SER HG1 H 0.430000 1.0080 0 4761 C4 22 SER C C 0.510000 12.0110 0 4762 C4 22 SER O O -0.510000 15.9990 0 4763 C4 23 ALA N NH1 -0.470000 14.0070 0 4764 C4 23 ALA HN H 0.310000 1.0080 0 4765 C4 23 ALA CA CT1 0.070000 12.0110 0 4766 C4 23 ALA HA HB 0.090000 1.0080 0 4767 C4 23 ALA CB CT3 -0.270000 12.0110 0 4768 C4 23 ALA HB1 HA 0.090000 1.0080 0 4769 C4 23 ALA HB2 HA 0.090000 1.0080 0 4770 C4 23 ALA HB3 HA 0.090000 1.0080 0 4771 C4 23 ALA C C 0.510000 12.0110 0 4772 C4 23 ALA O O -0.510000 15.9990 0 4773 C4 24 LEU N NH1 -0.470000 14.0070 0 4774 C4 24 LEU HN H 0.310000 1.0080 0 4775 C4 24 LEU CA CT1 0.070000 12.0110 0 4776 C4 24 LEU HA HB 0.090000 1.0080 0 4777 C4 24 LEU CB CT2 -0.180000 12.0110 0 4778 C4 24 LEU HB1 HA 0.090000 1.0080 0 4779 C4 24 LEU HB2 HA 0.090000 1.0080 0 4780 C4 24 LEU CG CT1 -0.090000 12.0110 0 4781 C4 24 LEU HG HA 0.090000 1.0080 0 4782 C4 24 LEU CD1 CT3 -0.270000 12.0110 0 4783 C4 24 LEU HD11 HA 0.090000 1.0080 0 4784 C4 24 LEU HD12 HA 0.090000 1.0080 0 4785 C4 24 LEU HD13 HA 0.090000 1.0080 0 4786 C4 24 LEU CD2 CT3 -0.270000 12.0110 0 4787 C4 24 LEU HD21 HA 0.090000 1.0080 0 4788 C4 24 LEU HD22 HA 0.090000 1.0080 0 4789 C4 24 LEU HD23 HA 0.090000 1.0080 0 4790 C4 24 LEU C C 0.510000 12.0110 0 4791 C4 24 LEU O O -0.510000 15.9990 0 4792 C4 25 HSE N NH1 -0.470000 14.0070 0 4793 C4 25 HSE HN H 0.310000 1.0080 0 4794 C4 25 HSE CA CT1 0.070000 12.0110 0 4795 C4 25 HSE HA HB 0.090000 1.0080 0 4796 C4 25 HSE CB CT2 -0.080000 12.0110 0 4797 C4 25 HSE HB1 HA 0.090000 1.0080 0 4798 C4 25 HSE HB2 HA 0.090000 1.0080 0 4799 C4 25 HSE ND1 NR2 -0.700000 14.0070 0 4800 C4 25 HSE CG CPH1 0.220000 12.0110 0 4801 C4 25 HSE CE1 CPH2 0.250000 12.0110 0 4802 C4 25 HSE HE1 HR1 0.130000 1.0080 0 4803 C4 25 HSE NE2 NR1 -0.360000 14.0070 0 4804 C4 25 HSE HE2 H 0.320000 1.0080 0 4805 C4 25 HSE CD2 CPH1 -0.050000 12.0110 0 4806 C4 25 HSE HD2 HR3 0.090000 1.0080 0 4807 C4 25 HSE C C 0.510000 12.0110 0 4808 C4 25 HSE O O -0.510000 15.9990 0 4809 C4 26 TRP N NH1 -0.470000 14.0070 0 4810 C4 26 TRP HN H 0.310000 1.0080 0 4811 C4 26 TRP CA CT1 0.070000 12.0110 0 4812 C4 26 TRP HA HB 0.090000 1.0080 0 4813 C4 26 TRP CB CT2 -0.180000 12.0110 0 4814 C4 26 TRP HB1 HA 0.090000 1.0080 0 4815 C4 26 TRP HB2 HA 0.090000 1.0080 0 4816 C4 26 TRP CG CY -0.030000 12.0110 0 4817 C4 26 TRP CD1 CA 0.035000 12.0110 0 4818 C4 26 TRP HD1 HP 0.115000 1.0080 0 4819 C4 26 TRP NE1 NY -0.610000 14.0070 0 4820 C4 26 TRP HE1 H 0.380000 1.0080 0 4821 C4 26 TRP CE2 CPT 0.130000 12.0110 0 4822 C4 26 TRP CD2 CPT -0.020000 12.0110 0 4823 C4 26 TRP CE3 CA -0.115000 12.0110 0 4824 C4 26 TRP HE3 HP 0.115000 1.0080 0 4825 C4 26 TRP CZ3 CA -0.115000 12.0110 0 4826 C4 26 TRP HZ3 HP 0.115000 1.0080 0 4827 C4 26 TRP CZ2 CA -0.115000 12.0110 0 4828 C4 26 TRP HZ2 HP 0.115000 1.0080 0 4829 C4 26 TRP CH2 CA -0.115000 12.0110 0 4830 C4 26 TRP HH2 HP 0.115000 1.0080 0 4831 C4 26 TRP C C 0.510000 12.0110 0 4832 C4 26 TRP O O -0.510000 15.9990 0 4833 C4 27 ARG N NH1 -0.470000 14.0070 0 4834 C4 27 ARG HN H 0.310000 1.0080 0 4835 C4 27 ARG CA CT1 0.070000 12.0110 0 4836 C4 27 ARG HA HB 0.090000 1.0080 0 4837 C4 27 ARG CB CT2 -0.180000 12.0110 0 4838 C4 27 ARG HB1 HA 0.090000 1.0080 0 4839 C4 27 ARG HB2 HA 0.090000 1.0080 0 4840 C4 27 ARG CG CT2 -0.180000 12.0110 0 4841 C4 27 ARG HG1 HA 0.090000 1.0080 0 4842 C4 27 ARG HG2 HA 0.090000 1.0080 0 4843 C4 27 ARG CD CT2 0.200000 12.0110 0 4844 C4 27 ARG HD1 HA 0.090000 1.0080 0 4845 C4 27 ARG HD2 HA 0.090000 1.0080 0 4846 C4 27 ARG NE NC2 -0.700000 14.0070 0 4847 C4 27 ARG HE HC 0.440000 1.0080 0 4848 C4 27 ARG CZ C 0.640000 12.0110 0 4849 C4 27 ARG NH1 NC2 -0.800000 14.0070 0 4850 C4 27 ARG HH11 HC 0.460000 1.0080 0 4851 C4 27 ARG HH12 HC 0.460000 1.0080 0 4852 C4 27 ARG NH2 NC2 -0.800000 14.0070 0 4853 C4 27 ARG HH21 HC 0.460000 1.0080 0 4854 C4 27 ARG HH22 HC 0.460000 1.0080 0 4855 C4 27 ARG C C 0.510000 12.0110 0 4856 C4 27 ARG O O -0.510000 15.9990 0 4857 C4 28 ALA N NH1 -0.470000 14.0070 0 4858 C4 28 ALA HN H 0.310000 1.0080 0 4859 C4 28 ALA CA CT1 0.070000 12.0110 0 4860 C4 28 ALA HA HB 0.090000 1.0080 0 4861 C4 28 ALA CB CT3 -0.270000 12.0110 0 4862 C4 28 ALA HB1 HA 0.090000 1.0080 0 4863 C4 28 ALA HB2 HA 0.090000 1.0080 0 4864 C4 28 ALA HB3 HA 0.090000 1.0080 0 4865 C4 28 ALA C C 0.510000 12.0110 0 4866 C4 28 ALA O O -0.510000 15.9990 0 4867 C4 29 ALA N NH1 -0.470000 14.0070 0 4868 C4 29 ALA HN H 0.310000 1.0080 0 4869 C4 29 ALA CA CT1 0.070000 12.0110 0 4870 C4 29 ALA HA HB 0.090000 1.0080 0 4871 C4 29 ALA CB CT3 -0.270000 12.0110 0 4872 C4 29 ALA HB1 HA 0.090000 1.0080 0 4873 C4 29 ALA HB2 HA 0.090000 1.0080 0 4874 C4 29 ALA HB3 HA 0.090000 1.0080 0 4875 C4 29 ALA C C 0.510000 12.0110 0 4876 C4 29 ALA O O -0.510000 15.9990 0 4877 C4 30 GLY N NH1 -0.470000 14.0070 0 4878 C4 30 GLY HN H 0.310000 1.0080 0 4879 C4 30 GLY CA CT2 -0.020000 12.0110 0 4880 C4 30 GLY HA1 HB 0.090000 1.0080 0 4881 C4 30 GLY HA2 HB 0.090000 1.0080 0 4882 C4 30 GLY C C 0.510000 12.0110 0 4883 C4 30 GLY O O -0.510000 15.9990 0 4884 C4 31 ALA N NH1 -0.470000 14.0070 0 4885 C4 31 ALA HN H 0.310000 1.0080 0 4886 C4 31 ALA CA CT1 0.070000 12.0110 0 4887 C4 31 ALA HA HB 0.090000 1.0080 0 4888 C4 31 ALA CB CT3 -0.270000 12.0110 0 4889 C4 31 ALA HB1 HA 0.090000 1.0080 0 4890 C4 31 ALA HB2 HA 0.090000 1.0080 0 4891 C4 31 ALA HB3 HA 0.090000 1.0080 0 4892 C4 31 ALA C C 0.510000 12.0110 0 4893 C4 31 ALA O O -0.510000 15.9990 0 4894 C4 32 ALA N NH1 -0.470000 14.0070 0 4895 C4 32 ALA HN H 0.310000 1.0080 0 4896 C4 32 ALA CA CT1 0.070000 12.0110 0 4897 C4 32 ALA HA HB 0.090000 1.0080 0 4898 C4 32 ALA CB CT3 -0.270000 12.0110 0 4899 C4 32 ALA HB1 HA 0.090000 1.0080 0 4900 C4 32 ALA HB2 HA 0.090000 1.0080 0 4901 C4 32 ALA HB3 HA 0.090000 1.0080 0 4902 C4 32 ALA C C 0.510000 12.0110 0 4903 C4 32 ALA O O -0.510000 15.9990 0 4904 C4 33 THR N NH1 -0.470000 14.0070 0 4905 C4 33 THR HN H 0.310000 1.0080 0 4906 C4 33 THR CA CT1 0.070000 12.0110 0 4907 C4 33 THR HA HB 0.090000 1.0080 0 4908 C4 33 THR CB CT1 0.140000 12.0110 0 4909 C4 33 THR HB HA 0.090000 1.0080 0 4910 C4 33 THR OG1 OH1 -0.660000 15.9990 0 4911 C4 33 THR HG1 H 0.430000 1.0080 0 4912 C4 33 THR CG2 CT3 -0.270000 12.0110 0 4913 C4 33 THR HG21 HA 0.090000 1.0080 0 4914 C4 33 THR HG22 HA 0.090000 1.0080 0 4915 C4 33 THR HG23 HA 0.090000 1.0080 0 4916 C4 33 THR C C 0.510000 12.0110 0 4917 C4 33 THR O O -0.510000 15.9990 0 4918 C4 34 VAL N NH1 -0.470000 14.0070 0 4919 C4 34 VAL HN H 0.310000 1.0080 0 4920 C4 34 VAL CA CT1 0.070000 12.0110 0 4921 C4 34 VAL HA HB 0.090000 1.0080 0 4922 C4 34 VAL CB CT1 -0.090000 12.0110 0 4923 C4 34 VAL HB HA 0.090000 1.0080 0 4924 C4 34 VAL CG1 CT3 -0.270000 12.0110 0 4925 C4 34 VAL HG11 HA 0.090000 1.0080 0 4926 C4 34 VAL HG12 HA 0.090000 1.0080 0 4927 C4 34 VAL HG13 HA 0.090000 1.0080 0 4928 C4 34 VAL CG2 CT3 -0.270000 12.0110 0 4929 C4 34 VAL HG21 HA 0.090000 1.0080 0 4930 C4 34 VAL HG22 HA 0.090000 1.0080 0 4931 C4 34 VAL HG23 HA 0.090000 1.0080 0 4932 C4 34 VAL C C 0.510000 12.0110 0 4933 C4 34 VAL O O -0.510000 15.9990 0 4934 C4 35 LEU N NH1 -0.470000 14.0070 0 4935 C4 35 LEU HN H 0.310000 1.0080 0 4936 C4 35 LEU CA CT1 0.070000 12.0110 0 4937 C4 35 LEU HA HB 0.090000 1.0080 0 4938 C4 35 LEU CB CT2 -0.180000 12.0110 0 4939 C4 35 LEU HB1 HA 0.090000 1.0080 0 4940 C4 35 LEU HB2 HA 0.090000 1.0080 0 4941 C4 35 LEU CG CT1 -0.090000 12.0110 0 4942 C4 35 LEU HG HA 0.090000 1.0080 0 4943 C4 35 LEU CD1 CT3 -0.270000 12.0110 0 4944 C4 35 LEU HD11 HA 0.090000 1.0080 0 4945 C4 35 LEU HD12 HA 0.090000 1.0080 0 4946 C4 35 LEU HD13 HA 0.090000 1.0080 0 4947 C4 35 LEU CD2 CT3 -0.270000 12.0110 0 4948 C4 35 LEU HD21 HA 0.090000 1.0080 0 4949 C4 35 LEU HD22 HA 0.090000 1.0080 0 4950 C4 35 LEU HD23 HA 0.090000 1.0080 0 4951 C4 35 LEU C C 0.510000 12.0110 0 4952 C4 35 LEU O O -0.510000 15.9990 0 4953 C4 36 LEU N NH1 -0.470000 14.0070 0 4954 C4 36 LEU HN H 0.310000 1.0080 0 4955 C4 36 LEU CA CT1 0.070000 12.0110 0 4956 C4 36 LEU HA HB 0.090000 1.0080 0 4957 C4 36 LEU CB CT2 -0.180000 12.0110 0 4958 C4 36 LEU HB1 HA 0.090000 1.0080 0 4959 C4 36 LEU HB2 HA 0.090000 1.0080 0 4960 C4 36 LEU CG CT1 -0.090000 12.0110 0 4961 C4 36 LEU HG HA 0.090000 1.0080 0 4962 C4 36 LEU CD1 CT3 -0.270000 12.0110 0 4963 C4 36 LEU HD11 HA 0.090000 1.0080 0 4964 C4 36 LEU HD12 HA 0.090000 1.0080 0 4965 C4 36 LEU HD13 HA 0.090000 1.0080 0 4966 C4 36 LEU CD2 CT3 -0.270000 12.0110 0 4967 C4 36 LEU HD21 HA 0.090000 1.0080 0 4968 C4 36 LEU HD22 HA 0.090000 1.0080 0 4969 C4 36 LEU HD23 HA 0.090000 1.0080 0 4970 C4 36 LEU C C 0.510000 12.0110 0 4971 C4 36 LEU O O -0.510000 15.9990 0 4972 C4 37 VAL N NH1 -0.470000 14.0070 0 4973 C4 37 VAL HN H 0.310000 1.0080 0 4974 C4 37 VAL CA CT1 0.070000 12.0110 0 4975 C4 37 VAL HA HB 0.090000 1.0080 0 4976 C4 37 VAL CB CT1 -0.090000 12.0110 0 4977 C4 37 VAL HB HA 0.090000 1.0080 0 4978 C4 37 VAL CG1 CT3 -0.270000 12.0110 0 4979 C4 37 VAL HG11 HA 0.090000 1.0080 0 4980 C4 37 VAL HG12 HA 0.090000 1.0080 0 4981 C4 37 VAL HG13 HA 0.090000 1.0080 0 4982 C4 37 VAL CG2 CT3 -0.270000 12.0110 0 4983 C4 37 VAL HG21 HA 0.090000 1.0080 0 4984 C4 37 VAL HG22 HA 0.090000 1.0080 0 4985 C4 37 VAL HG23 HA 0.090000 1.0080 0 4986 C4 37 VAL C C 0.510000 12.0110 0 4987 C4 37 VAL O O -0.510000 15.9990 0 4988 C4 38 ILE N NH1 -0.470000 14.0070 0 4989 C4 38 ILE HN H 0.310000 1.0080 0 4990 C4 38 ILE CA CT1 0.070000 12.0110 0 4991 C4 38 ILE HA HB 0.090000 1.0080 0 4992 C4 38 ILE CB CT1 -0.090000 12.0110 0 4993 C4 38 ILE HB HA 0.090000 1.0080 0 4994 C4 38 ILE CG2 CT3 -0.270000 12.0110 0 4995 C4 38 ILE HG21 HA 0.090000 1.0080 0 4996 C4 38 ILE HG22 HA 0.090000 1.0080 0 4997 C4 38 ILE HG23 HA 0.090000 1.0080 0 4998 C4 38 ILE CG1 CT2 -0.180000 12.0110 0 4999 C4 38 ILE HG11 HA 0.090000 1.0080 0 5000 C4 38 ILE HG12 HA 0.090000 1.0080 0 5001 C4 38 ILE CD CT3 -0.270000 12.0110 0 5002 C4 38 ILE HD1 HA 0.090000 1.0080 0 5003 C4 38 ILE HD2 HA 0.090000 1.0080 0 5004 C4 38 ILE HD3 HA 0.090000 1.0080 0 5005 C4 38 ILE C C 0.510000 12.0110 0 5006 C4 38 ILE O O -0.510000 15.9990 0 5007 C4 39 VAL N NH1 -0.470000 14.0070 0 5008 C4 39 VAL HN H 0.310000 1.0080 0 5009 C4 39 VAL CA CT1 0.070000 12.0110 0 5010 C4 39 VAL HA HB 0.090000 1.0080 0 5011 C4 39 VAL CB CT1 -0.090000 12.0110 0 5012 C4 39 VAL HB HA 0.090000 1.0080 0 5013 C4 39 VAL CG1 CT3 -0.270000 12.0110 0 5014 C4 39 VAL HG11 HA 0.090000 1.0080 0 5015 C4 39 VAL HG12 HA 0.090000 1.0080 0 5016 C4 39 VAL HG13 HA 0.090000 1.0080 0 5017 C4 39 VAL CG2 CT3 -0.270000 12.0110 0 5018 C4 39 VAL HG21 HA 0.090000 1.0080 0 5019 C4 39 VAL HG22 HA 0.090000 1.0080 0 5020 C4 39 VAL HG23 HA 0.090000 1.0080 0 5021 C4 39 VAL C C 0.510000 12.0110 0 5022 C4 39 VAL O O -0.510000 15.9990 0 5023 C4 40 LEU N NH1 -0.470000 14.0070 0 5024 C4 40 LEU HN H 0.310000 1.0080 0 5025 C4 40 LEU CA CT1 0.070000 12.0110 0 5026 C4 40 LEU HA HB 0.090000 1.0080 0 5027 C4 40 LEU CB CT2 -0.180000 12.0110 0 5028 C4 40 LEU HB1 HA 0.090000 1.0080 0 5029 C4 40 LEU HB2 HA 0.090000 1.0080 0 5030 C4 40 LEU CG CT1 -0.090000 12.0110 0 5031 C4 40 LEU HG HA 0.090000 1.0080 0 5032 C4 40 LEU CD1 CT3 -0.270000 12.0110 0 5033 C4 40 LEU HD11 HA 0.090000 1.0080 0 5034 C4 40 LEU HD12 HA 0.090000 1.0080 0 5035 C4 40 LEU HD13 HA 0.090000 1.0080 0 5036 C4 40 LEU CD2 CT3 -0.270000 12.0110 0 5037 C4 40 LEU HD21 HA 0.090000 1.0080 0 5038 C4 40 LEU HD22 HA 0.090000 1.0080 0 5039 C4 40 LEU HD23 HA 0.090000 1.0080 0 5040 C4 40 LEU C C 0.510000 12.0110 0 5041 C4 40 LEU O O -0.510000 15.9990 0 5042 C4 41 LEU N NH1 -0.470000 14.0070 0 5043 C4 41 LEU HN H 0.310000 1.0080 0 5044 C4 41 LEU CA CT1 0.070000 12.0110 0 5045 C4 41 LEU HA HB 0.090000 1.0080 0 5046 C4 41 LEU CB CT2 -0.180000 12.0110 0 5047 C4 41 LEU HB1 HA 0.090000 1.0080 0 5048 C4 41 LEU HB2 HA 0.090000 1.0080 0 5049 C4 41 LEU CG CT1 -0.090000 12.0110 0 5050 C4 41 LEU HG HA 0.090000 1.0080 0 5051 C4 41 LEU CD1 CT3 -0.270000 12.0110 0 5052 C4 41 LEU HD11 HA 0.090000 1.0080 0 5053 C4 41 LEU HD12 HA 0.090000 1.0080 0 5054 C4 41 LEU HD13 HA 0.090000 1.0080 0 5055 C4 41 LEU CD2 CT3 -0.270000 12.0110 0 5056 C4 41 LEU HD21 HA 0.090000 1.0080 0 5057 C4 41 LEU HD22 HA 0.090000 1.0080 0 5058 C4 41 LEU HD23 HA 0.090000 1.0080 0 5059 C4 41 LEU C C 0.510000 12.0110 0 5060 C4 41 LEU O O -0.510000 15.9990 0 5061 C4 42 ALA N NH1 -0.470000 14.0070 0 5062 C4 42 ALA HN H 0.310000 1.0080 0 5063 C4 42 ALA CA CT1 0.070000 12.0110 0 5064 C4 42 ALA HA HB 0.090000 1.0080 0 5065 C4 42 ALA CB CT3 -0.270000 12.0110 0 5066 C4 42 ALA HB1 HA 0.090000 1.0080 0 5067 C4 42 ALA HB2 HA 0.090000 1.0080 0 5068 C4 42 ALA HB3 HA 0.090000 1.0080 0 5069 C4 42 ALA C C 0.510000 12.0110 0 5070 C4 42 ALA O O -0.510000 15.9990 0 5071 C4 43 GLY N NH1 -0.470000 14.0070 0 5072 C4 43 GLY HN H 0.310000 1.0080 0 5073 C4 43 GLY CA CT2 -0.020000 12.0110 0 5074 C4 43 GLY HA1 HB 0.090000 1.0080 0 5075 C4 43 GLY HA2 HB 0.090000 1.0080 0 5076 C4 43 GLY C C 0.510000 12.0110 0 5077 C4 43 GLY O O -0.510000 15.9990 0 5078 C4 44 SER N NH1 -0.470000 14.0070 0 5079 C4 44 SER HN H 0.310000 1.0080 0 5080 C4 44 SER CA CT1 0.070000 12.0110 0 5081 C4 44 SER HA HB 0.090000 1.0080 0 5082 C4 44 SER CB CT2 0.050000 12.0110 0 5083 C4 44 SER HB1 HA 0.090000 1.0080 0 5084 C4 44 SER HB2 HA 0.090000 1.0080 0 5085 C4 44 SER OG OH1 -0.660000 15.9990 0 5086 C4 44 SER HG1 H 0.430000 1.0080 0 5087 C4 44 SER C C 0.510000 12.0110 0 5088 C4 44 SER O O -0.510000 15.9990 0 5089 C4 45 TYR N NH1 -0.470000 14.0070 0 5090 C4 45 TYR HN H 0.310000 1.0080 0 5091 C4 45 TYR CA CT1 0.070000 12.0110 0 5092 C4 45 TYR HA HB 0.090000 1.0080 0 5093 C4 45 TYR CB CT2 -0.180000 12.0110 0 5094 C4 45 TYR HB1 HA 0.090000 1.0080 0 5095 C4 45 TYR HB2 HA 0.090000 1.0080 0 5096 C4 45 TYR CG CA 0.000000 12.0110 0 5097 C4 45 TYR CD1 CA -0.115000 12.0110 0 5098 C4 45 TYR HD1 HP 0.115000 1.0080 0 5099 C4 45 TYR CE1 CA -0.115000 12.0110 0 5100 C4 45 TYR HE1 HP 0.115000 1.0080 0 5101 C4 45 TYR CZ CA 0.110000 12.0110 0 5102 C4 45 TYR OH OH1 -0.540000 15.9990 0 5103 C4 45 TYR HH H 0.430000 1.0080 0 5104 C4 45 TYR CD2 CA -0.115000 12.0110 0 5105 C4 45 TYR HD2 HP 0.115000 1.0080 0 5106 C4 45 TYR CE2 CA -0.115000 12.0110 0 5107 C4 45 TYR HE2 HP 0.115000 1.0080 0 5108 C4 45 TYR C C 0.510000 12.0110 0 5109 C4 45 TYR O O -0.510000 15.9990 0 5110 C4 46 LEU N NH1 -0.470000 14.0070 0 5111 C4 46 LEU HN H 0.310000 1.0080 0 5112 C4 46 LEU CA CT1 0.070000 12.0110 0 5113 C4 46 LEU HA HB 0.090000 1.0080 0 5114 C4 46 LEU CB CT2 -0.180000 12.0110 0 5115 C4 46 LEU HB1 HA 0.090000 1.0080 0 5116 C4 46 LEU HB2 HA 0.090000 1.0080 0 5117 C4 46 LEU CG CT1 -0.090000 12.0110 0 5118 C4 46 LEU HG HA 0.090000 1.0080 0 5119 C4 46 LEU CD1 CT3 -0.270000 12.0110 0 5120 C4 46 LEU HD11 HA 0.090000 1.0080 0 5121 C4 46 LEU HD12 HA 0.090000 1.0080 0 5122 C4 46 LEU HD13 HA 0.090000 1.0080 0 5123 C4 46 LEU CD2 CT3 -0.270000 12.0110 0 5124 C4 46 LEU HD21 HA 0.090000 1.0080 0 5125 C4 46 LEU HD22 HA 0.090000 1.0080 0 5126 C4 46 LEU HD23 HA 0.090000 1.0080 0 5127 C4 46 LEU C C 0.510000 12.0110 0 5128 C4 46 LEU O O -0.510000 15.9990 0 5129 C4 47 ALA N NH1 -0.470000 14.0070 0 5130 C4 47 ALA HN H 0.310000 1.0080 0 5131 C4 47 ALA CA CT1 0.070000 12.0110 0 5132 C4 47 ALA HA HB 0.090000 1.0080 0 5133 C4 47 ALA CB CT3 -0.270000 12.0110 0 5134 C4 47 ALA HB1 HA 0.090000 1.0080 0 5135 C4 47 ALA HB2 HA 0.090000 1.0080 0 5136 C4 47 ALA HB3 HA 0.090000 1.0080 0 5137 C4 47 ALA C C 0.510000 12.0110 0 5138 C4 47 ALA O O -0.510000 15.9990 0 5139 C4 48 VAL N NH1 -0.470000 14.0070 0 5140 C4 48 VAL HN H 0.310000 1.0080 0 5141 C4 48 VAL CA CT1 0.070000 12.0110 0 5142 C4 48 VAL HA HB 0.090000 1.0080 0 5143 C4 48 VAL CB CT1 -0.090000 12.0110 0 5144 C4 48 VAL HB HA 0.090000 1.0080 0 5145 C4 48 VAL CG1 CT3 -0.270000 12.0110 0 5146 C4 48 VAL HG11 HA 0.090000 1.0080 0 5147 C4 48 VAL HG12 HA 0.090000 1.0080 0 5148 C4 48 VAL HG13 HA 0.090000 1.0080 0 5149 C4 48 VAL CG2 CT3 -0.270000 12.0110 0 5150 C4 48 VAL HG21 HA 0.090000 1.0080 0 5151 C4 48 VAL HG22 HA 0.090000 1.0080 0 5152 C4 48 VAL HG23 HA 0.090000 1.0080 0 5153 C4 48 VAL C C 0.510000 12.0110 0 5154 C4 48 VAL O O -0.510000 15.9990 0 5155 C4 49 LEU N NH1 -0.470000 14.0070 0 5156 C4 49 LEU HN H 0.310000 1.0080 0 5157 C4 49 LEU CA CT1 0.070000 12.0110 0 5158 C4 49 LEU HA HB 0.090000 1.0080 0 5159 C4 49 LEU CB CT2 -0.180000 12.0110 0 5160 C4 49 LEU HB1 HA 0.090000 1.0080 0 5161 C4 49 LEU HB2 HA 0.090000 1.0080 0 5162 C4 49 LEU CG CT1 -0.090000 12.0110 0 5163 C4 49 LEU HG HA 0.090000 1.0080 0 5164 C4 49 LEU CD1 CT3 -0.270000 12.0110 0 5165 C4 49 LEU HD11 HA 0.090000 1.0080 0 5166 C4 49 LEU HD12 HA 0.090000 1.0080 0 5167 C4 49 LEU HD13 HA 0.090000 1.0080 0 5168 C4 49 LEU CD2 CT3 -0.270000 12.0110 0 5169 C4 49 LEU HD21 HA 0.090000 1.0080 0 5170 C4 49 LEU HD22 HA 0.090000 1.0080 0 5171 C4 49 LEU HD23 HA 0.090000 1.0080 0 5172 C4 49 LEU C C 0.510000 12.0110 0 5173 C4 49 LEU O O -0.510000 15.9990 0 5174 C4 50 ALA N NH1 -0.470000 14.0070 0 5175 C4 50 ALA HN H 0.310000 1.0080 0 5176 C4 50 ALA CA CT1 0.070000 12.0110 0 5177 C4 50 ALA HA HB 0.090000 1.0080 0 5178 C4 50 ALA CB CT3 -0.270000 12.0110 0 5179 C4 50 ALA HB1 HA 0.090000 1.0080 0 5180 C4 50 ALA HB2 HA 0.090000 1.0080 0 5181 C4 50 ALA HB3 HA 0.090000 1.0080 0 5182 C4 50 ALA C C 0.510000 12.0110 0 5183 C4 50 ALA O O -0.510000 15.9990 0 5184 C4 51 GLU N NH1 -0.470000 14.0070 0 5185 C4 51 GLU HN H 0.310000 1.0080 0 5186 C4 51 GLU CA CT1 0.070000 12.0110 0 5187 C4 51 GLU HA HB 0.090000 1.0080 0 5188 C4 51 GLU CB CT2 -0.180000 12.0110 0 5189 C4 51 GLU HB1 HA 0.090000 1.0080 0 5190 C4 51 GLU HB2 HA 0.090000 1.0080 0 5191 C4 51 GLU CG CT2 -0.280000 12.0110 0 5192 C4 51 GLU HG1 HA 0.090000 1.0080 0 5193 C4 51 GLU HG2 HA 0.090000 1.0080 0 5194 C4 51 GLU CD CC 0.620000 12.0110 0 5195 C4 51 GLU OE1 OC -0.760000 15.9990 0 5196 C4 51 GLU OE2 OC -0.760000 15.9990 0 5197 C4 51 GLU C C 0.510000 12.0110 0 5198 C4 51 GLU O O -0.510000 15.9990 0 5199 C4 52 ARG N NH1 -0.470000 14.0070 0 5200 C4 52 ARG HN H 0.310000 1.0080 0 5201 C4 52 ARG CA CT1 0.070000 12.0110 0 5202 C4 52 ARG HA HB 0.090000 1.0080 0 5203 C4 52 ARG CB CT2 -0.180000 12.0110 0 5204 C4 52 ARG HB1 HA 0.090000 1.0080 0 5205 C4 52 ARG HB2 HA 0.090000 1.0080 0 5206 C4 52 ARG CG CT2 -0.180000 12.0110 0 5207 C4 52 ARG HG1 HA 0.090000 1.0080 0 5208 C4 52 ARG HG2 HA 0.090000 1.0080 0 5209 C4 52 ARG CD CT2 0.200000 12.0110 0 5210 C4 52 ARG HD1 HA 0.090000 1.0080 0 5211 C4 52 ARG HD2 HA 0.090000 1.0080 0 5212 C4 52 ARG NE NC2 -0.700000 14.0070 0 5213 C4 52 ARG HE HC 0.440000 1.0080 0 5214 C4 52 ARG CZ C 0.640000 12.0110 0 5215 C4 52 ARG NH1 NC2 -0.800000 14.0070 0 5216 C4 52 ARG HH11 HC 0.460000 1.0080 0 5217 C4 52 ARG HH12 HC 0.460000 1.0080 0 5218 C4 52 ARG NH2 NC2 -0.800000 14.0070 0 5219 C4 52 ARG HH21 HC 0.460000 1.0080 0 5220 C4 52 ARG HH22 HC 0.460000 1.0080 0 5221 C4 52 ARG C C 0.510000 12.0110 0 5222 C4 52 ARG O O -0.510000 15.9990 0 5223 C4 53 GLY N NH1 -0.470000 14.0070 0 5224 C4 53 GLY HN H 0.310000 1.0080 0 5225 C4 53 GLY CA CT2 -0.020000 12.0110 0 5226 C4 53 GLY HA1 HB 0.090000 1.0080 0 5227 C4 53 GLY HA2 HB 0.090000 1.0080 0 5228 C4 53 GLY C C 0.510000 12.0110 0 5229 C4 53 GLY O O -0.510000 15.9990 0 5230 C4 54 ALA N NH1 -0.470000 14.0070 0 5231 C4 54 ALA HN H 0.310000 1.0080 0 5232 C4 54 ALA CA CT1 0.070000 12.0110 0 5233 C4 54 ALA HA HB 0.090000 1.0080 0 5234 C4 54 ALA CB CT3 -0.270000 12.0110 0 5235 C4 54 ALA HB1 HA 0.090000 1.0080 0 5236 C4 54 ALA HB2 HA 0.090000 1.0080 0 5237 C4 54 ALA HB3 HA 0.090000 1.0080 0 5238 C4 54 ALA C C 0.510000 12.0110 0 5239 C4 54 ALA O O -0.510000 15.9990 0 5240 C4 55 PRO N N -0.290000 14.0070 0 5241 C4 55 PRO CD CP3 0.000000 12.0110 0 5242 C4 55 PRO HD1 HA 0.090000 1.0080 0 5243 C4 55 PRO HD2 HA 0.090000 1.0080 0 5244 C4 55 PRO CA CP1 0.020000 12.0110 0 5245 C4 55 PRO HA HB 0.090000 1.0080 0 5246 C4 55 PRO CB CP2 -0.180000 12.0110 0 5247 C4 55 PRO HB1 HA 0.090000 1.0080 0 5248 C4 55 PRO HB2 HA 0.090000 1.0080 0 5249 C4 55 PRO CG CP2 -0.180000 12.0110 0 5250 C4 55 PRO HG1 HA 0.090000 1.0080 0 5251 C4 55 PRO HG2 HA 0.090000 1.0080 0 5252 C4 55 PRO C C 0.510000 12.0110 0 5253 C4 55 PRO O O -0.510000 15.9990 0 5254 C4 56 GLY N NH1 -0.470000 14.0070 0 5255 C4 56 GLY HN H 0.310000 1.0080 0 5256 C4 56 GLY CA CT2 -0.020000 12.0110 0 5257 C4 56 GLY HA1 HB 0.090000 1.0080 0 5258 C4 56 GLY HA2 HB 0.090000 1.0080 0 5259 C4 56 GLY C C 0.510000 12.0110 0 5260 C4 56 GLY O O -0.510000 15.9990 0 5261 C4 57 ALA N NH1 -0.470000 14.0070 0 5262 C4 57 ALA HN H 0.310000 1.0080 0 5263 C4 57 ALA CA CT1 0.070000 12.0110 0 5264 C4 57 ALA HA HB 0.090000 1.0080 0 5265 C4 57 ALA CB CT3 -0.270000 12.0110 0 5266 C4 57 ALA HB1 HA 0.090000 1.0080 0 5267 C4 57 ALA HB2 HA 0.090000 1.0080 0 5268 C4 57 ALA HB3 HA 0.090000 1.0080 0 5269 C4 57 ALA C C 0.510000 12.0110 0 5270 C4 57 ALA O O -0.510000 15.9990 0 5271 C4 58 GLN N NH1 -0.470000 14.0070 0 5272 C4 58 GLN HN H 0.310000 1.0080 0 5273 C4 58 GLN CA CT1 0.070000 12.0110 0 5274 C4 58 GLN HA HB 0.090000 1.0080 0 5275 C4 58 GLN CB CT2 -0.180000 12.0110 0 5276 C4 58 GLN HB1 HA 0.090000 1.0080 0 5277 C4 58 GLN HB2 HA 0.090000 1.0080 0 5278 C4 58 GLN CG CT2 -0.180000 12.0110 0 5279 C4 58 GLN HG1 HA 0.090000 1.0080 0 5280 C4 58 GLN HG2 HA 0.090000 1.0080 0 5281 C4 58 GLN CD CC 0.550000 12.0110 0 5282 C4 58 GLN OE1 O -0.550000 15.9990 0 5283 C4 58 GLN NE2 NH2 -0.620000 14.0070 0 5284 C4 58 GLN HE21 H 0.320000 1.0080 0 5285 C4 58 GLN HE22 H 0.300000 1.0080 0 5286 C4 58 GLN C C 0.510000 12.0110 0 5287 C4 58 GLN O O -0.510000 15.9990 0 5288 C4 59 LEU N NH1 -0.470000 14.0070 0 5289 C4 59 LEU HN H 0.310000 1.0080 0 5290 C4 59 LEU CA CT1 0.070000 12.0110 0 5291 C4 59 LEU HA HB 0.090000 1.0080 0 5292 C4 59 LEU CB CT2 -0.180000 12.0110 0 5293 C4 59 LEU HB1 HA 0.090000 1.0080 0 5294 C4 59 LEU HB2 HA 0.090000 1.0080 0 5295 C4 59 LEU CG CT1 -0.090000 12.0110 0 5296 C4 59 LEU HG HA 0.090000 1.0080 0 5297 C4 59 LEU CD1 CT3 -0.270000 12.0110 0 5298 C4 59 LEU HD11 HA 0.090000 1.0080 0 5299 C4 59 LEU HD12 HA 0.090000 1.0080 0 5300 C4 59 LEU HD13 HA 0.090000 1.0080 0 5301 C4 59 LEU CD2 CT3 -0.270000 12.0110 0 5302 C4 59 LEU HD21 HA 0.090000 1.0080 0 5303 C4 59 LEU HD22 HA 0.090000 1.0080 0 5304 C4 59 LEU HD23 HA 0.090000 1.0080 0 5305 C4 59 LEU C C 0.510000 12.0110 0 5306 C4 59 LEU O O -0.510000 15.9990 0 5307 C4 60 ILE N NH1 -0.470000 14.0070 0 5308 C4 60 ILE HN H 0.310000 1.0080 0 5309 C4 60 ILE CA CT1 0.070000 12.0110 0 5310 C4 60 ILE HA HB 0.090000 1.0080 0 5311 C4 60 ILE CB CT1 -0.090000 12.0110 0 5312 C4 60 ILE HB HA 0.090000 1.0080 0 5313 C4 60 ILE CG2 CT3 -0.270000 12.0110 0 5314 C4 60 ILE HG21 HA 0.090000 1.0080 0 5315 C4 60 ILE HG22 HA 0.090000 1.0080 0 5316 C4 60 ILE HG23 HA 0.090000 1.0080 0 5317 C4 60 ILE CG1 CT2 -0.180000 12.0110 0 5318 C4 60 ILE HG11 HA 0.090000 1.0080 0 5319 C4 60 ILE HG12 HA 0.090000 1.0080 0 5320 C4 60 ILE CD CT3 -0.270000 12.0110 0 5321 C4 60 ILE HD1 HA 0.090000 1.0080 0 5322 C4 60 ILE HD2 HA 0.090000 1.0080 0 5323 C4 60 ILE HD3 HA 0.090000 1.0080 0 5324 C4 60 ILE C C 0.510000 12.0110 0 5325 C4 60 ILE O O -0.510000 15.9990 0 5326 C4 61 THR N NH1 -0.470000 14.0070 0 5327 C4 61 THR HN H 0.310000 1.0080 0 5328 C4 61 THR CA CT1 0.070000 12.0110 0 5329 C4 61 THR HA HB 0.090000 1.0080 0 5330 C4 61 THR CB CT1 0.140000 12.0110 0 5331 C4 61 THR HB HA 0.090000 1.0080 0 5332 C4 61 THR OG1 OH1 -0.660000 15.9990 0 5333 C4 61 THR HG1 H 0.430000 1.0080 0 5334 C4 61 THR CG2 CT3 -0.270000 12.0110 0 5335 C4 61 THR HG21 HA 0.090000 1.0080 0 5336 C4 61 THR HG22 HA 0.090000 1.0080 0 5337 C4 61 THR HG23 HA 0.090000 1.0080 0 5338 C4 61 THR C C 0.510000 12.0110 0 5339 C4 61 THR O O -0.510000 15.9990 0 5340 C4 62 TYR N NH1 -0.470000 14.0070 0 5341 C4 62 TYR HN H 0.310000 1.0080 0 5342 C4 62 TYR CA CT1 0.070000 12.0110 0 5343 C4 62 TYR HA HB 0.090000 1.0080 0 5344 C4 62 TYR CB CT2 -0.180000 12.0110 0 5345 C4 62 TYR HB1 HA 0.090000 1.0080 0 5346 C4 62 TYR HB2 HA 0.090000 1.0080 0 5347 C4 62 TYR CG CA 0.000000 12.0110 0 5348 C4 62 TYR CD1 CA -0.115000 12.0110 0 5349 C4 62 TYR HD1 HP 0.115000 1.0080 0 5350 C4 62 TYR CE1 CA -0.115000 12.0110 0 5351 C4 62 TYR HE1 HP 0.115000 1.0080 0 5352 C4 62 TYR CZ CA 0.110000 12.0110 0 5353 C4 62 TYR OH OH1 -0.540000 15.9990 0 5354 C4 62 TYR HH H 0.430000 1.0080 0 5355 C4 62 TYR CD2 CA -0.115000 12.0110 0 5356 C4 62 TYR HD2 HP 0.115000 1.0080 0 5357 C4 62 TYR CE2 CA -0.115000 12.0110 0 5358 C4 62 TYR HE2 HP 0.115000 1.0080 0 5359 C4 62 TYR C C 0.510000 12.0110 0 5360 C4 62 TYR O O -0.510000 15.9990 0 5361 C4 63 PRO N N -0.290000 14.0070 0 5362 C4 63 PRO CD CP3 0.000000 12.0110 0 5363 C4 63 PRO HD1 HA 0.090000 1.0080 0 5364 C4 63 PRO HD2 HA 0.090000 1.0080 0 5365 C4 63 PRO CA CP1 0.020000 12.0110 0 5366 C4 63 PRO HA HB 0.090000 1.0080 0 5367 C4 63 PRO CB CP2 -0.180000 12.0110 0 5368 C4 63 PRO HB1 HA 0.090000 1.0080 0 5369 C4 63 PRO HB2 HA 0.090000 1.0080 0 5370 C4 63 PRO CG CP2 -0.180000 12.0110 0 5371 C4 63 PRO HG1 HA 0.090000 1.0080 0 5372 C4 63 PRO HG2 HA 0.090000 1.0080 0 5373 C4 63 PRO C C 0.510000 12.0110 0 5374 C4 63 PRO O O -0.510000 15.9990 0 5375 C4 64 ARG N NH1 -0.470000 14.0070 0 5376 C4 64 ARG HN H 0.310000 1.0080 0 5377 C4 64 ARG CA CT1 0.070000 12.0110 0 5378 C4 64 ARG HA HB 0.090000 1.0080 0 5379 C4 64 ARG CB CT2 -0.180000 12.0110 0 5380 C4 64 ARG HB1 HA 0.090000 1.0080 0 5381 C4 64 ARG HB2 HA 0.090000 1.0080 0 5382 C4 64 ARG CG CT2 -0.180000 12.0110 0 5383 C4 64 ARG HG1 HA 0.090000 1.0080 0 5384 C4 64 ARG HG2 HA 0.090000 1.0080 0 5385 C4 64 ARG CD CT2 0.200000 12.0110 0 5386 C4 64 ARG HD1 HA 0.090000 1.0080 0 5387 C4 64 ARG HD2 HA 0.090000 1.0080 0 5388 C4 64 ARG NE NC2 -0.700000 14.0070 0 5389 C4 64 ARG HE HC 0.440000 1.0080 0 5390 C4 64 ARG CZ C 0.640000 12.0110 0 5391 C4 64 ARG NH1 NC2 -0.800000 14.0070 0 5392 C4 64 ARG HH11 HC 0.460000 1.0080 0 5393 C4 64 ARG HH12 HC 0.460000 1.0080 0 5394 C4 64 ARG NH2 NC2 -0.800000 14.0070 0 5395 C4 64 ARG HH21 HC 0.460000 1.0080 0 5396 C4 64 ARG HH22 HC 0.460000 1.0080 0 5397 C4 64 ARG C C 0.510000 12.0110 0 5398 C4 64 ARG O O -0.510000 15.9990 0 5399 C4 65 ALA N NH1 -0.470000 14.0070 0 5400 C4 65 ALA HN H 0.310000 1.0080 0 5401 C4 65 ALA CA CT1 0.070000 12.0110 0 5402 C4 65 ALA HA HB 0.090000 1.0080 0 5403 C4 65 ALA CB CT3 -0.270000 12.0110 0 5404 C4 65 ALA HB1 HA 0.090000 1.0080 0 5405 C4 65 ALA HB2 HA 0.090000 1.0080 0 5406 C4 65 ALA HB3 HA 0.090000 1.0080 0 5407 C4 65 ALA C C 0.510000 12.0110 0 5408 C4 65 ALA O O -0.510000 15.9990 0 5409 C4 66 LEU N NH1 -0.470000 14.0070 0 5410 C4 66 LEU HN H 0.310000 1.0080 0 5411 C4 66 LEU CA CT1 0.070000 12.0110 0 5412 C4 66 LEU HA HB 0.090000 1.0080 0 5413 C4 66 LEU CB CT2 -0.180000 12.0110 0 5414 C4 66 LEU HB1 HA 0.090000 1.0080 0 5415 C4 66 LEU HB2 HA 0.090000 1.0080 0 5416 C4 66 LEU CG CT1 -0.090000 12.0110 0 5417 C4 66 LEU HG HA 0.090000 1.0080 0 5418 C4 66 LEU CD1 CT3 -0.270000 12.0110 0 5419 C4 66 LEU HD11 HA 0.090000 1.0080 0 5420 C4 66 LEU HD12 HA 0.090000 1.0080 0 5421 C4 66 LEU HD13 HA 0.090000 1.0080 0 5422 C4 66 LEU CD2 CT3 -0.270000 12.0110 0 5423 C4 66 LEU HD21 HA 0.090000 1.0080 0 5424 C4 66 LEU HD22 HA 0.090000 1.0080 0 5425 C4 66 LEU HD23 HA 0.090000 1.0080 0 5426 C4 66 LEU C C 0.510000 12.0110 0 5427 C4 66 LEU O O -0.510000 15.9990 0 5428 C4 67 TRP N NH1 -0.470000 14.0070 0 5429 C4 67 TRP HN H 0.310000 1.0080 0 5430 C4 67 TRP CA CT1 0.070000 12.0110 0 5431 C4 67 TRP HA HB 0.090000 1.0080 0 5432 C4 67 TRP CB CT2 -0.180000 12.0110 0 5433 C4 67 TRP HB1 HA 0.090000 1.0080 0 5434 C4 67 TRP HB2 HA 0.090000 1.0080 0 5435 C4 67 TRP CG CY -0.030000 12.0110 0 5436 C4 67 TRP CD1 CA 0.035000 12.0110 0 5437 C4 67 TRP HD1 HP 0.115000 1.0080 0 5438 C4 67 TRP NE1 NY -0.610000 14.0070 0 5439 C4 67 TRP HE1 H 0.380000 1.0080 0 5440 C4 67 TRP CE2 CPT 0.130000 12.0110 0 5441 C4 67 TRP CD2 CPT -0.020000 12.0110 0 5442 C4 67 TRP CE3 CA -0.115000 12.0110 0 5443 C4 67 TRP HE3 HP 0.115000 1.0080 0 5444 C4 67 TRP CZ3 CA -0.115000 12.0110 0 5445 C4 67 TRP HZ3 HP 0.115000 1.0080 0 5446 C4 67 TRP CZ2 CA -0.115000 12.0110 0 5447 C4 67 TRP HZ2 HP 0.115000 1.0080 0 5448 C4 67 TRP CH2 CA -0.115000 12.0110 0 5449 C4 67 TRP HH2 HP 0.115000 1.0080 0 5450 C4 67 TRP C C 0.510000 12.0110 0 5451 C4 67 TRP O O -0.510000 15.9990 0 5452 C4 68 TRP N NH1 -0.470000 14.0070 0 5453 C4 68 TRP HN H 0.310000 1.0080 0 5454 C4 68 TRP CA CT1 0.070000 12.0110 0 5455 C4 68 TRP HA HB 0.090000 1.0080 0 5456 C4 68 TRP CB CT2 -0.180000 12.0110 0 5457 C4 68 TRP HB1 HA 0.090000 1.0080 0 5458 C4 68 TRP HB2 HA 0.090000 1.0080 0 5459 C4 68 TRP CG CY -0.030000 12.0110 0 5460 C4 68 TRP CD1 CA 0.035000 12.0110 0 5461 C4 68 TRP HD1 HP 0.115000 1.0080 0 5462 C4 68 TRP NE1 NY -0.610000 14.0070 0 5463 C4 68 TRP HE1 H 0.380000 1.0080 0 5464 C4 68 TRP CE2 CPT 0.130000 12.0110 0 5465 C4 68 TRP CD2 CPT -0.020000 12.0110 0 5466 C4 68 TRP CE3 CA -0.115000 12.0110 0 5467 C4 68 TRP HE3 HP 0.115000 1.0080 0 5468 C4 68 TRP CZ3 CA -0.115000 12.0110 0 5469 C4 68 TRP HZ3 HP 0.115000 1.0080 0 5470 C4 68 TRP CZ2 CA -0.115000 12.0110 0 5471 C4 68 TRP HZ2 HP 0.115000 1.0080 0 5472 C4 68 TRP CH2 CA -0.115000 12.0110 0 5473 C4 68 TRP HH2 HP 0.115000 1.0080 0 5474 C4 68 TRP C C 0.510000 12.0110 0 5475 C4 68 TRP O O -0.510000 15.9990 0 5476 C4 69 SER N NH1 -0.470000 14.0070 0 5477 C4 69 SER HN H 0.310000 1.0080 0 5478 C4 69 SER CA CT1 0.070000 12.0110 0 5479 C4 69 SER HA HB 0.090000 1.0080 0 5480 C4 69 SER CB CT2 0.050000 12.0110 0 5481 C4 69 SER HB1 HA 0.090000 1.0080 0 5482 C4 69 SER HB2 HA 0.090000 1.0080 0 5483 C4 69 SER OG OH1 -0.660000 15.9990 0 5484 C4 69 SER HG1 H 0.430000 1.0080 0 5485 C4 69 SER C C 0.510000 12.0110 0 5486 C4 69 SER O O -0.510000 15.9990 0 5487 C4 70 VAL N NH1 -0.470000 14.0070 0 5488 C4 70 VAL HN H 0.310000 1.0080 0 5489 C4 70 VAL CA CT1 0.070000 12.0110 0 5490 C4 70 VAL HA HB 0.090000 1.0080 0 5491 C4 70 VAL CB CT1 -0.090000 12.0110 0 5492 C4 70 VAL HB HA 0.090000 1.0080 0 5493 C4 70 VAL CG1 CT3 -0.270000 12.0110 0 5494 C4 70 VAL HG11 HA 0.090000 1.0080 0 5495 C4 70 VAL HG12 HA 0.090000 1.0080 0 5496 C4 70 VAL HG13 HA 0.090000 1.0080 0 5497 C4 70 VAL CG2 CT3 -0.270000 12.0110 0 5498 C4 70 VAL HG21 HA 0.090000 1.0080 0 5499 C4 70 VAL HG22 HA 0.090000 1.0080 0 5500 C4 70 VAL HG23 HA 0.090000 1.0080 0 5501 C4 70 VAL C C 0.510000 12.0110 0 5502 C4 70 VAL O O -0.510000 15.9990 0 5503 C4 71 GLU CG CT2 -0.210000 12.0110 0 5504 C4 71 GLU HG1 HA 0.090000 1.0080 0 5505 C4 71 GLU HG2 HA 0.090000 1.0080 0 5506 C4 71 GLU CD CD 0.750000 12.0110 0 5507 C4 71 GLU OE1 OB -0.550000 15.9990 0 5508 C4 71 GLU OE2 OH1 -0.610000 15.9990 0 5509 C4 71 GLU HE2 H 0.440000 1.0080 0 5510 C4 71 GLU N NH1 -0.470000 14.0070 0 5511 C4 71 GLU HN H 0.310000 1.0080 0 5512 C4 71 GLU CA CT1 0.070000 12.0110 0 5513 C4 71 GLU HA HB 0.090000 1.0080 0 5514 C4 71 GLU CB CT2 -0.180000 12.0110 0 5515 C4 71 GLU HB1 HA 0.090000 1.0080 0 5516 C4 71 GLU HB2 HA 0.090000 1.0080 0 5517 C4 71 GLU C C 0.510000 12.0110 0 5518 C4 71 GLU O O -0.510000 15.9990 0 5519 C4 72 THR N NH1 -0.470000 14.0070 0 5520 C4 72 THR HN H 0.310000 1.0080 0 5521 C4 72 THR CA CT1 0.070000 12.0110 0 5522 C4 72 THR HA HB 0.090000 1.0080 0 5523 C4 72 THR CB CT1 0.140000 12.0110 0 5524 C4 72 THR HB HA 0.090000 1.0080 0 5525 C4 72 THR OG1 OH1 -0.660000 15.9990 0 5526 C4 72 THR HG1 H 0.430000 1.0080 0 5527 C4 72 THR CG2 CT3 -0.270000 12.0110 0 5528 C4 72 THR HG21 HA 0.090000 1.0080 0 5529 C4 72 THR HG22 HA 0.090000 1.0080 0 5530 C4 72 THR HG23 HA 0.090000 1.0080 0 5531 C4 72 THR C C 0.510000 12.0110 0 5532 C4 72 THR O O -0.510000 15.9990 0 5533 C4 73 ALA N NH1 -0.470000 14.0070 0 5534 C4 73 ALA HN H 0.310000 1.0080 0 5535 C4 73 ALA CA CT1 0.070000 12.0110 0 5536 C4 73 ALA HA HB 0.090000 1.0080 0 5537 C4 73 ALA CB CT3 -0.270000 12.0110 0 5538 C4 73 ALA HB1 HA 0.090000 1.0080 0 5539 C4 73 ALA HB2 HA 0.090000 1.0080 0 5540 C4 73 ALA HB3 HA 0.090000 1.0080 0 5541 C4 73 ALA C C 0.510000 12.0110 0 5542 C4 73 ALA O O -0.510000 15.9990 0 5543 C4 74 THR N NH1 -0.470000 14.0070 0 5544 C4 74 THR HN H 0.310000 1.0080 0 5545 C4 74 THR CA CT1 0.070000 12.0110 0 5546 C4 74 THR HA HB 0.090000 1.0080 0 5547 C4 74 THR CB CT1 0.140000 12.0110 0 5548 C4 74 THR HB HA 0.090000 1.0080 0 5549 C4 74 THR OG1 OH1 -0.660000 15.9990 0 5550 C4 74 THR HG1 H 0.430000 1.0080 0 5551 C4 74 THR CG2 CT3 -0.270000 12.0110 0 5552 C4 74 THR HG21 HA 0.090000 1.0080 0 5553 C4 74 THR HG22 HA 0.090000 1.0080 0 5554 C4 74 THR HG23 HA 0.090000 1.0080 0 5555 C4 74 THR C C 0.510000 12.0110 0 5556 C4 74 THR O O -0.510000 15.9990 0 5557 C4 75 THR N NH1 -0.470000 14.0070 0 5558 C4 75 THR HN H 0.310000 1.0080 0 5559 C4 75 THR CA CT1 0.070000 12.0110 0 5560 C4 75 THR HA HB 0.090000 1.0080 0 5561 C4 75 THR CB CT1 0.140000 12.0110 0 5562 C4 75 THR HB HA 0.090000 1.0080 0 5563 C4 75 THR OG1 OH1 -0.660000 15.9990 0 5564 C4 75 THR HG1 H 0.430000 1.0080 0 5565 C4 75 THR CG2 CT3 -0.270000 12.0110 0 5566 C4 75 THR HG21 HA 0.090000 1.0080 0 5567 C4 75 THR HG22 HA 0.090000 1.0080 0 5568 C4 75 THR HG23 HA 0.090000 1.0080 0 5569 C4 75 THR C C 0.510000 12.0110 0 5570 C4 75 THR O O -0.510000 15.9990 0 5571 C4 76 VAL N NH1 -0.470000 14.0070 0 5572 C4 76 VAL HN H 0.310000 1.0080 0 5573 C4 76 VAL CA CT1 0.070000 12.0110 0 5574 C4 76 VAL HA HB 0.090000 1.0080 0 5575 C4 76 VAL CB CT1 -0.090000 12.0110 0 5576 C4 76 VAL HB HA 0.090000 1.0080 0 5577 C4 76 VAL CG1 CT3 -0.270000 12.0110 0 5578 C4 76 VAL HG11 HA 0.090000 1.0080 0 5579 C4 76 VAL HG12 HA 0.090000 1.0080 0 5580 C4 76 VAL HG13 HA 0.090000 1.0080 0 5581 C4 76 VAL CG2 CT3 -0.270000 12.0110 0 5582 C4 76 VAL HG21 HA 0.090000 1.0080 0 5583 C4 76 VAL HG22 HA 0.090000 1.0080 0 5584 C4 76 VAL HG23 HA 0.090000 1.0080 0 5585 C4 76 VAL C C 0.510000 12.0110 0 5586 C4 76 VAL O O -0.510000 15.9990 0 5587 C4 77 GLY N NH1 -0.470000 14.0070 0 5588 C4 77 GLY HN H 0.310000 1.0080 0 5589 C4 77 GLY CA CT2 -0.020000 12.0110 0 5590 C4 77 GLY HA1 HB 0.090000 1.0080 0 5591 C4 77 GLY HA2 HB 0.090000 1.0080 0 5592 C4 77 GLY C C 0.510000 12.0110 0 5593 C4 77 GLY O O -0.510000 15.9990 0 5594 C4 78 TYR N NH1 -0.470000 14.0070 0 5595 C4 78 TYR HN H 0.310000 1.0080 0 5596 C4 78 TYR CA CT1 0.070000 12.0110 0 5597 C4 78 TYR HA HB 0.090000 1.0080 0 5598 C4 78 TYR CB CT2 -0.180000 12.0110 0 5599 C4 78 TYR HB1 HA 0.090000 1.0080 0 5600 C4 78 TYR HB2 HA 0.090000 1.0080 0 5601 C4 78 TYR CG CA 0.000000 12.0110 0 5602 C4 78 TYR CD1 CA -0.115000 12.0110 0 5603 C4 78 TYR HD1 HP 0.115000 1.0080 0 5604 C4 78 TYR CE1 CA -0.115000 12.0110 0 5605 C4 78 TYR HE1 HP 0.115000 1.0080 0 5606 C4 78 TYR CZ CA 0.110000 12.0110 0 5607 C4 78 TYR OH OH1 -0.540000 15.9990 0 5608 C4 78 TYR HH H 0.430000 1.0080 0 5609 C4 78 TYR CD2 CA -0.115000 12.0110 0 5610 C4 78 TYR HD2 HP 0.115000 1.0080 0 5611 C4 78 TYR CE2 CA -0.115000 12.0110 0 5612 C4 78 TYR HE2 HP 0.115000 1.0080 0 5613 C4 78 TYR C C 0.510000 12.0110 0 5614 C4 78 TYR O O -0.510000 15.9990 0 5615 C4 79 GLY N NH1 -0.470000 14.0070 0 5616 C4 79 GLY HN H 0.310000 1.0080 0 5617 C4 79 GLY CA CT2 -0.020000 12.0110 0 5618 C4 79 GLY HA1 HB 0.090000 1.0080 0 5619 C4 79 GLY HA2 HB 0.090000 1.0080 0 5620 C4 79 GLY C C 0.510000 12.0110 0 5621 C4 79 GLY O O -0.510000 15.9990 0 5622 C4 80 ASP N NH1 -0.470000 14.0070 0 5623 C4 80 ASP HN H 0.310000 1.0080 0 5624 C4 80 ASP CA CT1 0.070000 12.0110 0 5625 C4 80 ASP HA HB 0.090000 1.0080 0 5626 C4 80 ASP CB CT2 -0.280000 12.0110 0 5627 C4 80 ASP HB1 HA 0.090000 1.0080 0 5628 C4 80 ASP HB2 HA 0.090000 1.0080 0 5629 C4 80 ASP CG CC 0.620000 12.0110 0 5630 C4 80 ASP OD1 OC -0.760000 15.9990 0 5631 C4 80 ASP OD2 OC -0.760000 15.9990 0 5632 C4 80 ASP C C 0.510000 12.0110 0 5633 C4 80 ASP O O -0.510000 15.9990 0 5634 C4 81 LEU N NH1 -0.470000 14.0070 0 5635 C4 81 LEU HN H 0.310000 1.0080 0 5636 C4 81 LEU CA CT1 0.070000 12.0110 0 5637 C4 81 LEU HA HB 0.090000 1.0080 0 5638 C4 81 LEU CB CT2 -0.180000 12.0110 0 5639 C4 81 LEU HB1 HA 0.090000 1.0080 0 5640 C4 81 LEU HB2 HA 0.090000 1.0080 0 5641 C4 81 LEU CG CT1 -0.090000 12.0110 0 5642 C4 81 LEU HG HA 0.090000 1.0080 0 5643 C4 81 LEU CD1 CT3 -0.270000 12.0110 0 5644 C4 81 LEU HD11 HA 0.090000 1.0080 0 5645 C4 81 LEU HD12 HA 0.090000 1.0080 0 5646 C4 81 LEU HD13 HA 0.090000 1.0080 0 5647 C4 81 LEU CD2 CT3 -0.270000 12.0110 0 5648 C4 81 LEU HD21 HA 0.090000 1.0080 0 5649 C4 81 LEU HD22 HA 0.090000 1.0080 0 5650 C4 81 LEU HD23 HA 0.090000 1.0080 0 5651 C4 81 LEU C C 0.510000 12.0110 0 5652 C4 81 LEU O O -0.510000 15.9990 0 5653 C4 82 TYR N NH1 -0.470000 14.0070 0 5654 C4 82 TYR HN H 0.310000 1.0080 0 5655 C4 82 TYR CA CT1 0.070000 12.0110 0 5656 C4 82 TYR HA HB 0.090000 1.0080 0 5657 C4 82 TYR CB CT2 -0.180000 12.0110 0 5658 C4 82 TYR HB1 HA 0.090000 1.0080 0 5659 C4 82 TYR HB2 HA 0.090000 1.0080 0 5660 C4 82 TYR CG CA 0.000000 12.0110 0 5661 C4 82 TYR CD1 CA -0.115000 12.0110 0 5662 C4 82 TYR HD1 HP 0.115000 1.0080 0 5663 C4 82 TYR CE1 CA -0.115000 12.0110 0 5664 C4 82 TYR HE1 HP 0.115000 1.0080 0 5665 C4 82 TYR CZ CA 0.110000 12.0110 0 5666 C4 82 TYR OH OH1 -0.540000 15.9990 0 5667 C4 82 TYR HH H 0.430000 1.0080 0 5668 C4 82 TYR CD2 CA -0.115000 12.0110 0 5669 C4 82 TYR HD2 HP 0.115000 1.0080 0 5670 C4 82 TYR CE2 CA -0.115000 12.0110 0 5671 C4 82 TYR HE2 HP 0.115000 1.0080 0 5672 C4 82 TYR C C 0.510000 12.0110 0 5673 C4 82 TYR O O -0.510000 15.9990 0 5674 C4 83 PRO N N -0.290000 14.0070 0 5675 C4 83 PRO CD CP3 0.000000 12.0110 0 5676 C4 83 PRO HD1 HA 0.090000 1.0080 0 5677 C4 83 PRO HD2 HA 0.090000 1.0080 0 5678 C4 83 PRO CA CP1 0.020000 12.0110 0 5679 C4 83 PRO HA HB 0.090000 1.0080 0 5680 C4 83 PRO CB CP2 -0.180000 12.0110 0 5681 C4 83 PRO HB1 HA 0.090000 1.0080 0 5682 C4 83 PRO HB2 HA 0.090000 1.0080 0 5683 C4 83 PRO CG CP2 -0.180000 12.0110 0 5684 C4 83 PRO HG1 HA 0.090000 1.0080 0 5685 C4 83 PRO HG2 HA 0.090000 1.0080 0 5686 C4 83 PRO C C 0.510000 12.0110 0 5687 C4 83 PRO O O -0.510000 15.9990 0 5688 C4 84 VAL N NH1 -0.470000 14.0070 0 5689 C4 84 VAL HN H 0.310000 1.0080 0 5690 C4 84 VAL CA CT1 0.070000 12.0110 0 5691 C4 84 VAL HA HB 0.090000 1.0080 0 5692 C4 84 VAL CB CT1 -0.090000 12.0110 0 5693 C4 84 VAL HB HA 0.090000 1.0080 0 5694 C4 84 VAL CG1 CT3 -0.270000 12.0110 0 5695 C4 84 VAL HG11 HA 0.090000 1.0080 0 5696 C4 84 VAL HG12 HA 0.090000 1.0080 0 5697 C4 84 VAL HG13 HA 0.090000 1.0080 0 5698 C4 84 VAL CG2 CT3 -0.270000 12.0110 0 5699 C4 84 VAL HG21 HA 0.090000 1.0080 0 5700 C4 84 VAL HG22 HA 0.090000 1.0080 0 5701 C4 84 VAL HG23 HA 0.090000 1.0080 0 5702 C4 84 VAL C C 0.510000 12.0110 0 5703 C4 84 VAL O O -0.510000 15.9990 0 5704 C4 85 THR N NH1 -0.470000 14.0070 0 5705 C4 85 THR HN H 0.310000 1.0080 0 5706 C4 85 THR CA CT1 0.070000 12.0110 0 5707 C4 85 THR HA HB 0.090000 1.0080 0 5708 C4 85 THR CB CT1 0.140000 12.0110 0 5709 C4 85 THR HB HA 0.090000 1.0080 0 5710 C4 85 THR OG1 OH1 -0.660000 15.9990 0 5711 C4 85 THR HG1 H 0.430000 1.0080 0 5712 C4 85 THR CG2 CT3 -0.270000 12.0110 0 5713 C4 85 THR HG21 HA 0.090000 1.0080 0 5714 C4 85 THR HG22 HA 0.090000 1.0080 0 5715 C4 85 THR HG23 HA 0.090000 1.0080 0 5716 C4 85 THR C C 0.510000 12.0110 0 5717 C4 85 THR O O -0.510000 15.9990 0 5718 C4 86 LEU N NH1 -0.470000 14.0070 0 5719 C4 86 LEU HN H 0.310000 1.0080 0 5720 C4 86 LEU CA CT1 0.070000 12.0110 0 5721 C4 86 LEU HA HB 0.090000 1.0080 0 5722 C4 86 LEU CB CT2 -0.180000 12.0110 0 5723 C4 86 LEU HB1 HA 0.090000 1.0080 0 5724 C4 86 LEU HB2 HA 0.090000 1.0080 0 5725 C4 86 LEU CG CT1 -0.090000 12.0110 0 5726 C4 86 LEU HG HA 0.090000 1.0080 0 5727 C4 86 LEU CD1 CT3 -0.270000 12.0110 0 5728 C4 86 LEU HD11 HA 0.090000 1.0080 0 5729 C4 86 LEU HD12 HA 0.090000 1.0080 0 5730 C4 86 LEU HD13 HA 0.090000 1.0080 0 5731 C4 86 LEU CD2 CT3 -0.270000 12.0110 0 5732 C4 86 LEU HD21 HA 0.090000 1.0080 0 5733 C4 86 LEU HD22 HA 0.090000 1.0080 0 5734 C4 86 LEU HD23 HA 0.090000 1.0080 0 5735 C4 86 LEU C C 0.510000 12.0110 0 5736 C4 86 LEU O O -0.510000 15.9990 0 5737 C4 87 TRP N NH1 -0.470000 14.0070 0 5738 C4 87 TRP HN H 0.310000 1.0080 0 5739 C4 87 TRP CA CT1 0.070000 12.0110 0 5740 C4 87 TRP HA HB 0.090000 1.0080 0 5741 C4 87 TRP CB CT2 -0.180000 12.0110 0 5742 C4 87 TRP HB1 HA 0.090000 1.0080 0 5743 C4 87 TRP HB2 HA 0.090000 1.0080 0 5744 C4 87 TRP CG CY -0.030000 12.0110 0 5745 C4 87 TRP CD1 CA 0.035000 12.0110 0 5746 C4 87 TRP HD1 HP 0.115000 1.0080 0 5747 C4 87 TRP NE1 NY -0.610000 14.0070 0 5748 C4 87 TRP HE1 H 0.380000 1.0080 0 5749 C4 87 TRP CE2 CPT 0.130000 12.0110 0 5750 C4 87 TRP CD2 CPT -0.020000 12.0110 0 5751 C4 87 TRP CE3 CA -0.115000 12.0110 0 5752 C4 87 TRP HE3 HP 0.115000 1.0080 0 5753 C4 87 TRP CZ3 CA -0.115000 12.0110 0 5754 C4 87 TRP HZ3 HP 0.115000 1.0080 0 5755 C4 87 TRP CZ2 CA -0.115000 12.0110 0 5756 C4 87 TRP HZ2 HP 0.115000 1.0080 0 5757 C4 87 TRP CH2 CA -0.115000 12.0110 0 5758 C4 87 TRP HH2 HP 0.115000 1.0080 0 5759 C4 87 TRP C C 0.510000 12.0110 0 5760 C4 87 TRP O O -0.510000 15.9990 0 5761 C4 88 GLY N NH1 -0.470000 14.0070 0 5762 C4 88 GLY HN H 0.310000 1.0080 0 5763 C4 88 GLY CA CT2 -0.020000 12.0110 0 5764 C4 88 GLY HA1 HB 0.090000 1.0080 0 5765 C4 88 GLY HA2 HB 0.090000 1.0080 0 5766 C4 88 GLY C C 0.510000 12.0110 0 5767 C4 88 GLY O O -0.510000 15.9990 0 5768 C4 89 ARG N NH1 -0.470000 14.0070 0 5769 C4 89 ARG HN H 0.310000 1.0080 0 5770 C4 89 ARG CA CT1 0.070000 12.0110 0 5771 C4 89 ARG HA HB 0.090000 1.0080 0 5772 C4 89 ARG CB CT2 -0.180000 12.0110 0 5773 C4 89 ARG HB1 HA 0.090000 1.0080 0 5774 C4 89 ARG HB2 HA 0.090000 1.0080 0 5775 C4 89 ARG CG CT2 -0.180000 12.0110 0 5776 C4 89 ARG HG1 HA 0.090000 1.0080 0 5777 C4 89 ARG HG2 HA 0.090000 1.0080 0 5778 C4 89 ARG CD CT2 0.200000 12.0110 0 5779 C4 89 ARG HD1 HA 0.090000 1.0080 0 5780 C4 89 ARG HD2 HA 0.090000 1.0080 0 5781 C4 89 ARG NE NC2 -0.700000 14.0070 0 5782 C4 89 ARG HE HC 0.440000 1.0080 0 5783 C4 89 ARG CZ C 0.640000 12.0110 0 5784 C4 89 ARG NH1 NC2 -0.800000 14.0070 0 5785 C4 89 ARG HH11 HC 0.460000 1.0080 0 5786 C4 89 ARG HH12 HC 0.460000 1.0080 0 5787 C4 89 ARG NH2 NC2 -0.800000 14.0070 0 5788 C4 89 ARG HH21 HC 0.460000 1.0080 0 5789 C4 89 ARG HH22 HC 0.460000 1.0080 0 5790 C4 89 ARG C C 0.510000 12.0110 0 5791 C4 89 ARG O O -0.510000 15.9990 0 5792 C4 90 CYS N NH1 -0.470000 14.0070 0 5793 C4 90 CYS HN H 0.310000 1.0080 0 5794 C4 90 CYS CA CT1 0.070000 12.0110 0 5795 C4 90 CYS HA HB 0.090000 1.0080 0 5796 C4 90 CYS CB CT2 -0.110000 12.0110 0 5797 C4 90 CYS HB1 HA 0.090000 1.0080 0 5798 C4 90 CYS HB2 HA 0.090000 1.0080 0 5799 C4 90 CYS SG S -0.230000 32.0600 0 5800 C4 90 CYS HG1 HS 0.160000 1.0080 0 5801 C4 90 CYS C C 0.510000 12.0110 0 5802 C4 90 CYS O O -0.510000 15.9990 0 5803 C4 91 VAL N NH1 -0.470000 14.0070 0 5804 C4 91 VAL HN H 0.310000 1.0080 0 5805 C4 91 VAL CA CT1 0.070000 12.0110 0 5806 C4 91 VAL HA HB 0.090000 1.0080 0 5807 C4 91 VAL CB CT1 -0.090000 12.0110 0 5808 C4 91 VAL HB HA 0.090000 1.0080 0 5809 C4 91 VAL CG1 CT3 -0.270000 12.0110 0 5810 C4 91 VAL HG11 HA 0.090000 1.0080 0 5811 C4 91 VAL HG12 HA 0.090000 1.0080 0 5812 C4 91 VAL HG13 HA 0.090000 1.0080 0 5813 C4 91 VAL CG2 CT3 -0.270000 12.0110 0 5814 C4 91 VAL HG21 HA 0.090000 1.0080 0 5815 C4 91 VAL HG22 HA 0.090000 1.0080 0 5816 C4 91 VAL HG23 HA 0.090000 1.0080 0 5817 C4 91 VAL C C 0.510000 12.0110 0 5818 C4 91 VAL O O -0.510000 15.9990 0 5819 C4 92 ALA N NH1 -0.470000 14.0070 0 5820 C4 92 ALA HN H 0.310000 1.0080 0 5821 C4 92 ALA CA CT1 0.070000 12.0110 0 5822 C4 92 ALA HA HB 0.090000 1.0080 0 5823 C4 92 ALA CB CT3 -0.270000 12.0110 0 5824 C4 92 ALA HB1 HA 0.090000 1.0080 0 5825 C4 92 ALA HB2 HA 0.090000 1.0080 0 5826 C4 92 ALA HB3 HA 0.090000 1.0080 0 5827 C4 92 ALA C C 0.510000 12.0110 0 5828 C4 92 ALA O O -0.510000 15.9990 0 5829 C4 93 VAL N NH1 -0.470000 14.0070 0 5830 C4 93 VAL HN H 0.310000 1.0080 0 5831 C4 93 VAL CA CT1 0.070000 12.0110 0 5832 C4 93 VAL HA HB 0.090000 1.0080 0 5833 C4 93 VAL CB CT1 -0.090000 12.0110 0 5834 C4 93 VAL HB HA 0.090000 1.0080 0 5835 C4 93 VAL CG1 CT3 -0.270000 12.0110 0 5836 C4 93 VAL HG11 HA 0.090000 1.0080 0 5837 C4 93 VAL HG12 HA 0.090000 1.0080 0 5838 C4 93 VAL HG13 HA 0.090000 1.0080 0 5839 C4 93 VAL CG2 CT3 -0.270000 12.0110 0 5840 C4 93 VAL HG21 HA 0.090000 1.0080 0 5841 C4 93 VAL HG22 HA 0.090000 1.0080 0 5842 C4 93 VAL HG23 HA 0.090000 1.0080 0 5843 C4 93 VAL C C 0.510000 12.0110 0 5844 C4 93 VAL O O -0.510000 15.9990 0 5845 C4 94 VAL N NH1 -0.470000 14.0070 0 5846 C4 94 VAL HN H 0.310000 1.0080 0 5847 C4 94 VAL CA CT1 0.070000 12.0110 0 5848 C4 94 VAL HA HB 0.090000 1.0080 0 5849 C4 94 VAL CB CT1 -0.090000 12.0110 0 5850 C4 94 VAL HB HA 0.090000 1.0080 0 5851 C4 94 VAL CG1 CT3 -0.270000 12.0110 0 5852 C4 94 VAL HG11 HA 0.090000 1.0080 0 5853 C4 94 VAL HG12 HA 0.090000 1.0080 0 5854 C4 94 VAL HG13 HA 0.090000 1.0080 0 5855 C4 94 VAL CG2 CT3 -0.270000 12.0110 0 5856 C4 94 VAL HG21 HA 0.090000 1.0080 0 5857 C4 94 VAL HG22 HA 0.090000 1.0080 0 5858 C4 94 VAL HG23 HA 0.090000 1.0080 0 5859 C4 94 VAL C C 0.510000 12.0110 0 5860 C4 94 VAL O O -0.510000 15.9990 0 5861 C4 95 VAL N NH1 -0.470000 14.0070 0 5862 C4 95 VAL HN H 0.310000 1.0080 0 5863 C4 95 VAL CA CT1 0.070000 12.0110 0 5864 C4 95 VAL HA HB 0.090000 1.0080 0 5865 C4 95 VAL CB CT1 -0.090000 12.0110 0 5866 C4 95 VAL HB HA 0.090000 1.0080 0 5867 C4 95 VAL CG1 CT3 -0.270000 12.0110 0 5868 C4 95 VAL HG11 HA 0.090000 1.0080 0 5869 C4 95 VAL HG12 HA 0.090000 1.0080 0 5870 C4 95 VAL HG13 HA 0.090000 1.0080 0 5871 C4 95 VAL CG2 CT3 -0.270000 12.0110 0 5872 C4 95 VAL HG21 HA 0.090000 1.0080 0 5873 C4 95 VAL HG22 HA 0.090000 1.0080 0 5874 C4 95 VAL HG23 HA 0.090000 1.0080 0 5875 C4 95 VAL C C 0.510000 12.0110 0 5876 C4 95 VAL O O -0.510000 15.9990 0 5877 C4 96 MET N NH1 -0.470000 14.0070 0 5878 C4 96 MET HN H 0.310000 1.0080 0 5879 C4 96 MET CA CT1 0.070000 12.0110 0 5880 C4 96 MET HA HB 0.090000 1.0080 0 5881 C4 96 MET CB CT2 -0.180000 12.0110 0 5882 C4 96 MET HB1 HA 0.090000 1.0080 0 5883 C4 96 MET HB2 HA 0.090000 1.0080 0 5884 C4 96 MET CG CT2 -0.140000 12.0110 0 5885 C4 96 MET HG1 HA 0.090000 1.0080 0 5886 C4 96 MET HG2 HA 0.090000 1.0080 0 5887 C4 96 MET SD S -0.090000 32.0600 0 5888 C4 96 MET CE CT3 -0.220000 12.0110 0 5889 C4 96 MET HE1 HA 0.090000 1.0080 0 5890 C4 96 MET HE2 HA 0.090000 1.0080 0 5891 C4 96 MET HE3 HA 0.090000 1.0080 0 5892 C4 96 MET C C 0.510000 12.0110 0 5893 C4 96 MET O O -0.510000 15.9990 0 5894 C4 97 VAL N NH1 -0.470000 14.0070 0 5895 C4 97 VAL HN H 0.310000 1.0080 0 5896 C4 97 VAL CA CT1 0.070000 12.0110 0 5897 C4 97 VAL HA HB 0.090000 1.0080 0 5898 C4 97 VAL CB CT1 -0.090000 12.0110 0 5899 C4 97 VAL HB HA 0.090000 1.0080 0 5900 C4 97 VAL CG1 CT3 -0.270000 12.0110 0 5901 C4 97 VAL HG11 HA 0.090000 1.0080 0 5902 C4 97 VAL HG12 HA 0.090000 1.0080 0 5903 C4 97 VAL HG13 HA 0.090000 1.0080 0 5904 C4 97 VAL CG2 CT3 -0.270000 12.0110 0 5905 C4 97 VAL HG21 HA 0.090000 1.0080 0 5906 C4 97 VAL HG22 HA 0.090000 1.0080 0 5907 C4 97 VAL HG23 HA 0.090000 1.0080 0 5908 C4 97 VAL C C 0.510000 12.0110 0 5909 C4 97 VAL O O -0.510000 15.9990 0 5910 C4 98 ALA N NH1 -0.470000 14.0070 0 5911 C4 98 ALA HN H 0.310000 1.0080 0 5912 C4 98 ALA CA CT1 0.070000 12.0110 0 5913 C4 98 ALA HA HB 0.090000 1.0080 0 5914 C4 98 ALA CB CT3 -0.270000 12.0110 0 5915 C4 98 ALA HB1 HA 0.090000 1.0080 0 5916 C4 98 ALA HB2 HA 0.090000 1.0080 0 5917 C4 98 ALA HB3 HA 0.090000 1.0080 0 5918 C4 98 ALA C C 0.510000 12.0110 0 5919 C4 98 ALA O O -0.510000 15.9990 0 5920 C4 99 GLY N NH1 -0.470000 14.0070 0 5921 C4 99 GLY HN H 0.310000 1.0080 0 5922 C4 99 GLY CA CT2 -0.020000 12.0110 0 5923 C4 99 GLY HA1 HB 0.090000 1.0080 0 5924 C4 99 GLY HA2 HB 0.090000 1.0080 0 5925 C4 99 GLY C C 0.510000 12.0110 0 5926 C4 99 GLY O O -0.510000 15.9990 0 5927 C4 100 ILE N NH1 -0.470000 14.0070 0 5928 C4 100 ILE HN H 0.310000 1.0080 0 5929 C4 100 ILE CA CT1 0.070000 12.0110 0 5930 C4 100 ILE HA HB 0.090000 1.0080 0 5931 C4 100 ILE CB CT1 -0.090000 12.0110 0 5932 C4 100 ILE HB HA 0.090000 1.0080 0 5933 C4 100 ILE CG2 CT3 -0.270000 12.0110 0 5934 C4 100 ILE HG21 HA 0.090000 1.0080 0 5935 C4 100 ILE HG22 HA 0.090000 1.0080 0 5936 C4 100 ILE HG23 HA 0.090000 1.0080 0 5937 C4 100 ILE CG1 CT2 -0.180000 12.0110 0 5938 C4 100 ILE HG11 HA 0.090000 1.0080 0 5939 C4 100 ILE HG12 HA 0.090000 1.0080 0 5940 C4 100 ILE CD CT3 -0.270000 12.0110 0 5941 C4 100 ILE HD1 HA 0.090000 1.0080 0 5942 C4 100 ILE HD2 HA 0.090000 1.0080 0 5943 C4 100 ILE HD3 HA 0.090000 1.0080 0 5944 C4 100 ILE C C 0.510000 12.0110 0 5945 C4 100 ILE O O -0.510000 15.9990 0 5946 C4 101 THR N NH1 -0.470000 14.0070 0 5947 C4 101 THR HN H 0.310000 1.0080 0 5948 C4 101 THR CA CT1 0.070000 12.0110 0 5949 C4 101 THR HA HB 0.090000 1.0080 0 5950 C4 101 THR CB CT1 0.140000 12.0110 0 5951 C4 101 THR HB HA 0.090000 1.0080 0 5952 C4 101 THR OG1 OH1 -0.660000 15.9990 0 5953 C4 101 THR HG1 H 0.430000 1.0080 0 5954 C4 101 THR CG2 CT3 -0.270000 12.0110 0 5955 C4 101 THR HG21 HA 0.090000 1.0080 0 5956 C4 101 THR HG22 HA 0.090000 1.0080 0 5957 C4 101 THR HG23 HA 0.090000 1.0080 0 5958 C4 101 THR C C 0.510000 12.0110 0 5959 C4 101 THR O O -0.510000 15.9990 0 5960 C4 102 SER N NH1 -0.470000 14.0070 0 5961 C4 102 SER HN H 0.310000 1.0080 0 5962 C4 102 SER CA CT1 0.070000 12.0110 0 5963 C4 102 SER HA HB 0.090000 1.0080 0 5964 C4 102 SER CB CT2 0.050000 12.0110 0 5965 C4 102 SER HB1 HA 0.090000 1.0080 0 5966 C4 102 SER HB2 HA 0.090000 1.0080 0 5967 C4 102 SER OG OH1 -0.660000 15.9990 0 5968 C4 102 SER HG1 H 0.430000 1.0080 0 5969 C4 102 SER C C 0.510000 12.0110 0 5970 C4 102 SER O O -0.510000 15.9990 0 5971 C4 103 PHE N NH1 -0.470000 14.0070 0 5972 C4 103 PHE HN H 0.310000 1.0080 0 5973 C4 103 PHE CA CT1 0.070000 12.0110 0 5974 C4 103 PHE HA HB 0.090000 1.0080 0 5975 C4 103 PHE CB CT2 -0.180000 12.0110 0 5976 C4 103 PHE HB1 HA 0.090000 1.0080 0 5977 C4 103 PHE HB2 HA 0.090000 1.0080 0 5978 C4 103 PHE CG CA 0.000000 12.0110 0 5979 C4 103 PHE CD1 CA -0.115000 12.0110 0 5980 C4 103 PHE HD1 HP 0.115000 1.0080 0 5981 C4 103 PHE CE1 CA -0.115000 12.0110 0 5982 C4 103 PHE HE1 HP 0.115000 1.0080 0 5983 C4 103 PHE CZ CA -0.115000 12.0110 0 5984 C4 103 PHE HZ HP 0.115000 1.0080 0 5985 C4 103 PHE CD2 CA -0.115000 12.0110 0 5986 C4 103 PHE HD2 HP 0.115000 1.0080 0 5987 C4 103 PHE CE2 CA -0.115000 12.0110 0 5988 C4 103 PHE HE2 HP 0.115000 1.0080 0 5989 C4 103 PHE C C 0.510000 12.0110 0 5990 C4 103 PHE O O -0.510000 15.9990 0 5991 C4 104 GLY N NH1 -0.470000 14.0070 0 5992 C4 104 GLY HN H 0.310000 1.0080 0 5993 C4 104 GLY CA CT2 -0.020000 12.0110 0 5994 C4 104 GLY HA1 HB 0.090000 1.0080 0 5995 C4 104 GLY HA2 HB 0.090000 1.0080 0 5996 C4 104 GLY C C 0.510000 12.0110 0 5997 C4 104 GLY O O -0.510000 15.9990 0 5998 C4 105 LEU N NH1 -0.470000 14.0070 0 5999 C4 105 LEU HN H 0.310000 1.0080 0 6000 C4 105 LEU CA CT1 0.070000 12.0110 0 6001 C4 105 LEU HA HB 0.090000 1.0080 0 6002 C4 105 LEU CB CT2 -0.180000 12.0110 0 6003 C4 105 LEU HB1 HA 0.090000 1.0080 0 6004 C4 105 LEU HB2 HA 0.090000 1.0080 0 6005 C4 105 LEU CG CT1 -0.090000 12.0110 0 6006 C4 105 LEU HG HA 0.090000 1.0080 0 6007 C4 105 LEU CD1 CT3 -0.270000 12.0110 0 6008 C4 105 LEU HD11 HA 0.090000 1.0080 0 6009 C4 105 LEU HD12 HA 0.090000 1.0080 0 6010 C4 105 LEU HD13 HA 0.090000 1.0080 0 6011 C4 105 LEU CD2 CT3 -0.270000 12.0110 0 6012 C4 105 LEU HD21 HA 0.090000 1.0080 0 6013 C4 105 LEU HD22 HA 0.090000 1.0080 0 6014 C4 105 LEU HD23 HA 0.090000 1.0080 0 6015 C4 105 LEU C C 0.510000 12.0110 0 6016 C4 105 LEU O O -0.510000 15.9990 0 6017 C4 106 VAL N NH1 -0.470000 14.0070 0 6018 C4 106 VAL HN H 0.310000 1.0080 0 6019 C4 106 VAL CA CT1 0.070000 12.0110 0 6020 C4 106 VAL HA HB 0.090000 1.0080 0 6021 C4 106 VAL CB CT1 -0.090000 12.0110 0 6022 C4 106 VAL HB HA 0.090000 1.0080 0 6023 C4 106 VAL CG1 CT3 -0.270000 12.0110 0 6024 C4 106 VAL HG11 HA 0.090000 1.0080 0 6025 C4 106 VAL HG12 HA 0.090000 1.0080 0 6026 C4 106 VAL HG13 HA 0.090000 1.0080 0 6027 C4 106 VAL CG2 CT3 -0.270000 12.0110 0 6028 C4 106 VAL HG21 HA 0.090000 1.0080 0 6029 C4 106 VAL HG22 HA 0.090000 1.0080 0 6030 C4 106 VAL HG23 HA 0.090000 1.0080 0 6031 C4 106 VAL C C 0.510000 12.0110 0 6032 C4 106 VAL O O -0.510000 15.9990 0 6033 C4 107 THR N NH1 -0.470000 14.0070 0 6034 C4 107 THR HN H 0.310000 1.0080 0 6035 C4 107 THR CA CT1 0.070000 12.0110 0 6036 C4 107 THR HA HB 0.090000 1.0080 0 6037 C4 107 THR CB CT1 0.140000 12.0110 0 6038 C4 107 THR HB HA 0.090000 1.0080 0 6039 C4 107 THR OG1 OH1 -0.660000 15.9990 0 6040 C4 107 THR HG1 H 0.430000 1.0080 0 6041 C4 107 THR CG2 CT3 -0.270000 12.0110 0 6042 C4 107 THR HG21 HA 0.090000 1.0080 0 6043 C4 107 THR HG22 HA 0.090000 1.0080 0 6044 C4 107 THR HG23 HA 0.090000 1.0080 0 6045 C4 107 THR C C 0.510000 12.0110 0 6046 C4 107 THR O O -0.510000 15.9990 0 6047 C4 108 ALA N NH1 -0.470000 14.0070 0 6048 C4 108 ALA HN H 0.310000 1.0080 0 6049 C4 108 ALA CA CT1 0.070000 12.0110 0 6050 C4 108 ALA HA HB 0.090000 1.0080 0 6051 C4 108 ALA CB CT3 -0.270000 12.0110 0 6052 C4 108 ALA HB1 HA 0.090000 1.0080 0 6053 C4 108 ALA HB2 HA 0.090000 1.0080 0 6054 C4 108 ALA HB3 HA 0.090000 1.0080 0 6055 C4 108 ALA C C 0.510000 12.0110 0 6056 C4 108 ALA O O -0.510000 15.9990 0 6057 C4 109 ALA N NH1 -0.470000 14.0070 0 6058 C4 109 ALA HN H 0.310000 1.0080 0 6059 C4 109 ALA CA CT1 0.070000 12.0110 0 6060 C4 109 ALA HA HB 0.090000 1.0080 0 6061 C4 109 ALA CB CT3 -0.270000 12.0110 0 6062 C4 109 ALA HB1 HA 0.090000 1.0080 0 6063 C4 109 ALA HB2 HA 0.090000 1.0080 0 6064 C4 109 ALA HB3 HA 0.090000 1.0080 0 6065 C4 109 ALA C C 0.510000 12.0110 0 6066 C4 109 ALA O O -0.510000 15.9990 0 6067 C4 110 LEU N NH1 -0.470000 14.0070 0 6068 C4 110 LEU HN H 0.310000 1.0080 0 6069 C4 110 LEU CA CT1 0.070000 12.0110 0 6070 C4 110 LEU HA HB 0.090000 1.0080 0 6071 C4 110 LEU CB CT2 -0.180000 12.0110 0 6072 C4 110 LEU HB1 HA 0.090000 1.0080 0 6073 C4 110 LEU HB2 HA 0.090000 1.0080 0 6074 C4 110 LEU CG CT1 -0.090000 12.0110 0 6075 C4 110 LEU HG HA 0.090000 1.0080 0 6076 C4 110 LEU CD1 CT3 -0.270000 12.0110 0 6077 C4 110 LEU HD11 HA 0.090000 1.0080 0 6078 C4 110 LEU HD12 HA 0.090000 1.0080 0 6079 C4 110 LEU HD13 HA 0.090000 1.0080 0 6080 C4 110 LEU CD2 CT3 -0.270000 12.0110 0 6081 C4 110 LEU HD21 HA 0.090000 1.0080 0 6082 C4 110 LEU HD22 HA 0.090000 1.0080 0 6083 C4 110 LEU HD23 HA 0.090000 1.0080 0 6084 C4 110 LEU C C 0.510000 12.0110 0 6085 C4 110 LEU O O -0.510000 15.9990 0 6086 C4 111 ALA N NH1 -0.470000 14.0070 0 6087 C4 111 ALA HN H 0.310000 1.0080 0 6088 C4 111 ALA CA CT1 0.070000 12.0110 0 6089 C4 111 ALA HA HB 0.090000 1.0080 0 6090 C4 111 ALA CB CT3 -0.270000 12.0110 0 6091 C4 111 ALA HB1 HA 0.090000 1.0080 0 6092 C4 111 ALA HB2 HA 0.090000 1.0080 0 6093 C4 111 ALA HB3 HA 0.090000 1.0080 0 6094 C4 111 ALA C C 0.510000 12.0110 0 6095 C4 111 ALA O O -0.510000 15.9990 0 6096 C4 112 THR N NH1 -0.470000 14.0070 0 6097 C4 112 THR HN H 0.310000 1.0080 0 6098 C4 112 THR CA CT1 0.070000 12.0110 0 6099 C4 112 THR HA HB 0.090000 1.0080 0 6100 C4 112 THR CB CT1 0.140000 12.0110 0 6101 C4 112 THR HB HA 0.090000 1.0080 0 6102 C4 112 THR OG1 OH1 -0.660000 15.9990 0 6103 C4 112 THR HG1 H 0.430000 1.0080 0 6104 C4 112 THR CG2 CT3 -0.270000 12.0110 0 6105 C4 112 THR HG21 HA 0.090000 1.0080 0 6106 C4 112 THR HG22 HA 0.090000 1.0080 0 6107 C4 112 THR HG23 HA 0.090000 1.0080 0 6108 C4 112 THR C C 0.510000 12.0110 0 6109 C4 112 THR O O -0.510000 15.9990 0 6110 C4 113 TRP N NH1 -0.470000 14.0070 0 6111 C4 113 TRP HN H 0.310000 1.0080 0 6112 C4 113 TRP CA CT1 0.070000 12.0110 0 6113 C4 113 TRP HA HB 0.090000 1.0080 0 6114 C4 113 TRP CB CT2 -0.180000 12.0110 0 6115 C4 113 TRP HB1 HA 0.090000 1.0080 0 6116 C4 113 TRP HB2 HA 0.090000 1.0080 0 6117 C4 113 TRP CG CY -0.030000 12.0110 0 6118 C4 113 TRP CD1 CA 0.035000 12.0110 0 6119 C4 113 TRP HD1 HP 0.115000 1.0080 0 6120 C4 113 TRP NE1 NY -0.610000 14.0070 0 6121 C4 113 TRP HE1 H 0.380000 1.0080 0 6122 C4 113 TRP CE2 CPT 0.130000 12.0110 0 6123 C4 113 TRP CD2 CPT -0.020000 12.0110 0 6124 C4 113 TRP CE3 CA -0.115000 12.0110 0 6125 C4 113 TRP HE3 HP 0.115000 1.0080 0 6126 C4 113 TRP CZ3 CA -0.115000 12.0110 0 6127 C4 113 TRP HZ3 HP 0.115000 1.0080 0 6128 C4 113 TRP CZ2 CA -0.115000 12.0110 0 6129 C4 113 TRP HZ2 HP 0.115000 1.0080 0 6130 C4 113 TRP CH2 CA -0.115000 12.0110 0 6131 C4 113 TRP HH2 HP 0.115000 1.0080 0 6132 C4 113 TRP C C 0.510000 12.0110 0 6133 C4 113 TRP O O -0.510000 15.9990 0 6134 C4 114 PHE N NH1 -0.470000 14.0070 0 6135 C4 114 PHE HN H 0.310000 1.0080 0 6136 C4 114 PHE CA CT1 0.070000 12.0110 0 6137 C4 114 PHE HA HB 0.090000 1.0080 0 6138 C4 114 PHE CB CT2 -0.180000 12.0110 0 6139 C4 114 PHE HB1 HA 0.090000 1.0080 0 6140 C4 114 PHE HB2 HA 0.090000 1.0080 0 6141 C4 114 PHE CG CA 0.000000 12.0110 0 6142 C4 114 PHE CD1 CA -0.115000 12.0110 0 6143 C4 114 PHE HD1 HP 0.115000 1.0080 0 6144 C4 114 PHE CE1 CA -0.115000 12.0110 0 6145 C4 114 PHE HE1 HP 0.115000 1.0080 0 6146 C4 114 PHE CZ CA -0.115000 12.0110 0 6147 C4 114 PHE HZ HP 0.115000 1.0080 0 6148 C4 114 PHE CD2 CA -0.115000 12.0110 0 6149 C4 114 PHE HD2 HP 0.115000 1.0080 0 6150 C4 114 PHE CE2 CA -0.115000 12.0110 0 6151 C4 114 PHE HE2 HP 0.115000 1.0080 0 6152 C4 114 PHE C C 0.510000 12.0110 0 6153 C4 114 PHE O O -0.510000 15.9990 0 6154 C4 115 VAL N NH1 -0.470000 14.0070 0 6155 C4 115 VAL HN H 0.310000 1.0080 0 6156 C4 115 VAL CA CT1 0.070000 12.0110 0 6157 C4 115 VAL HA HB 0.090000 1.0080 0 6158 C4 115 VAL CB CT1 -0.090000 12.0110 0 6159 C4 115 VAL HB HA 0.090000 1.0080 0 6160 C4 115 VAL CG1 CT3 -0.270000 12.0110 0 6161 C4 115 VAL HG11 HA 0.090000 1.0080 0 6162 C4 115 VAL HG12 HA 0.090000 1.0080 0 6163 C4 115 VAL HG13 HA 0.090000 1.0080 0 6164 C4 115 VAL CG2 CT3 -0.270000 12.0110 0 6165 C4 115 VAL HG21 HA 0.090000 1.0080 0 6166 C4 115 VAL HG22 HA 0.090000 1.0080 0 6167 C4 115 VAL HG23 HA 0.090000 1.0080 0 6168 C4 115 VAL C C 0.510000 12.0110 0 6169 C4 115 VAL O O -0.510000 15.9990 0 6170 C4 116 GLY N NH1 -0.470000 14.0070 0 6171 C4 116 GLY HN H 0.310000 1.0080 0 6172 C4 116 GLY CA CT2 -0.020000 12.0110 0 6173 C4 116 GLY HA1 HB 0.090000 1.0080 0 6174 C4 116 GLY HA2 HB 0.090000 1.0080 0 6175 C4 116 GLY C C 0.510000 12.0110 0 6176 C4 116 GLY O O -0.510000 15.9990 0 6177 C4 117 ARG N NH1 -0.470000 14.0070 0 6178 C4 117 ARG HN H 0.310000 1.0080 0 6179 C4 117 ARG CA CT1 0.070000 12.0110 0 6180 C4 117 ARG HA HB 0.090000 1.0080 0 6181 C4 117 ARG CB CT2 -0.180000 12.0110 0 6182 C4 117 ARG HB1 HA 0.090000 1.0080 0 6183 C4 117 ARG HB2 HA 0.090000 1.0080 0 6184 C4 117 ARG CG CT2 -0.180000 12.0110 0 6185 C4 117 ARG HG1 HA 0.090000 1.0080 0 6186 C4 117 ARG HG2 HA 0.090000 1.0080 0 6187 C4 117 ARG CD CT2 0.200000 12.0110 0 6188 C4 117 ARG HD1 HA 0.090000 1.0080 0 6189 C4 117 ARG HD2 HA 0.090000 1.0080 0 6190 C4 117 ARG NE NC2 -0.700000 14.0070 0 6191 C4 117 ARG HE HC 0.440000 1.0080 0 6192 C4 117 ARG CZ C 0.640000 12.0110 0 6193 C4 117 ARG NH1 NC2 -0.800000 14.0070 0 6194 C4 117 ARG HH11 HC 0.460000 1.0080 0 6195 C4 117 ARG HH12 HC 0.460000 1.0080 0 6196 C4 117 ARG NH2 NC2 -0.800000 14.0070 0 6197 C4 117 ARG HH21 HC 0.460000 1.0080 0 6198 C4 117 ARG HH22 HC 0.460000 1.0080 0 6199 C4 117 ARG C C 0.510000 12.0110 0 6200 C4 117 ARG O O -0.510000 15.9990 0 6201 C4 118 GLU N NH1 -0.470000 14.0070 0 6202 C4 118 GLU HN H 0.310000 1.0080 0 6203 C4 118 GLU CA CT1 0.070000 12.0110 0 6204 C4 118 GLU HA HB 0.090000 1.0080 0 6205 C4 118 GLU CB CT2 -0.180000 12.0110 0 6206 C4 118 GLU HB1 HA 0.090000 1.0080 0 6207 C4 118 GLU HB2 HA 0.090000 1.0080 0 6208 C4 118 GLU CG CT2 -0.280000 12.0110 0 6209 C4 118 GLU HG1 HA 0.090000 1.0080 0 6210 C4 118 GLU HG2 HA 0.090000 1.0080 0 6211 C4 118 GLU CD CC 0.620000 12.0110 0 6212 C4 118 GLU OE1 OC -0.760000 15.9990 0 6213 C4 118 GLU OE2 OC -0.760000 15.9990 0 6214 C4 118 GLU C C 0.510000 12.0110 0 6215 C4 118 GLU O O -0.510000 15.9990 0 6216 C4 119 GLN N NH1 -0.470000 14.0070 0 6217 C4 119 GLN HN H 0.310000 1.0080 0 6218 C4 119 GLN CA CT1 0.070000 12.0110 0 6219 C4 119 GLN HA HB 0.090000 1.0080 0 6220 C4 119 GLN CB CT2 -0.180000 12.0110 0 6221 C4 119 GLN HB1 HA 0.090000 1.0080 0 6222 C4 119 GLN HB2 HA 0.090000 1.0080 0 6223 C4 119 GLN CG CT2 -0.180000 12.0110 0 6224 C4 119 GLN HG1 HA 0.090000 1.0080 0 6225 C4 119 GLN HG2 HA 0.090000 1.0080 0 6226 C4 119 GLN CD CC 0.550000 12.0110 0 6227 C4 119 GLN OE1 O -0.550000 15.9990 0 6228 C4 119 GLN NE2 NH2 -0.620000 14.0070 0 6229 C4 119 GLN HE21 H 0.320000 1.0080 0 6230 C4 119 GLN HE22 H 0.300000 1.0080 0 6231 C4 119 GLN C C 0.510000 12.0110 0 6232 C4 119 GLN O O -0.510000 15.9990 0 6233 C4 120 GLU N NH1 -0.470000 14.0070 0 6234 C4 120 GLU HN H 0.310000 1.0080 0 6235 C4 120 GLU CA CT1 0.070000 12.0110 0 6236 C4 120 GLU HA HB 0.090000 1.0080 0 6237 C4 120 GLU CB CT2 -0.180000 12.0110 0 6238 C4 120 GLU HB1 HA 0.090000 1.0080 0 6239 C4 120 GLU HB2 HA 0.090000 1.0080 0 6240 C4 120 GLU CG CT2 -0.280000 12.0110 0 6241 C4 120 GLU HG1 HA 0.090000 1.0080 0 6242 C4 120 GLU HG2 HA 0.090000 1.0080 0 6243 C4 120 GLU CD CC 0.620000 12.0110 0 6244 C4 120 GLU OE1 OC -0.760000 15.9990 0 6245 C4 120 GLU OE2 OC -0.760000 15.9990 0 6246 C4 120 GLU C C 0.510000 12.0110 0 6247 C4 120 GLU O O -0.510000 15.9990 0 6248 C4 121 ARG N NH1 -0.470000 14.0070 0 6249 C4 121 ARG HN H 0.310000 1.0080 0 6250 C4 121 ARG CA CT1 0.070000 12.0110 0 6251 C4 121 ARG HA HB 0.090000 1.0080 0 6252 C4 121 ARG CB CT2 -0.180000 12.0110 0 6253 C4 121 ARG HB1 HA 0.090000 1.0080 0 6254 C4 121 ARG HB2 HA 0.090000 1.0080 0 6255 C4 121 ARG CG CT2 -0.180000 12.0110 0 6256 C4 121 ARG HG1 HA 0.090000 1.0080 0 6257 C4 121 ARG HG2 HA 0.090000 1.0080 0 6258 C4 121 ARG CD CT2 0.200000 12.0110 0 6259 C4 121 ARG HD1 HA 0.090000 1.0080 0 6260 C4 121 ARG HD2 HA 0.090000 1.0080 0 6261 C4 121 ARG NE NC2 -0.700000 14.0070 0 6262 C4 121 ARG HE HC 0.440000 1.0080 0 6263 C4 121 ARG CZ C 0.640000 12.0110 0 6264 C4 121 ARG NH1 NC2 -0.800000 14.0070 0 6265 C4 121 ARG HH11 HC 0.460000 1.0080 0 6266 C4 121 ARG HH12 HC 0.460000 1.0080 0 6267 C4 121 ARG NH2 NC2 -0.800000 14.0070 0 6268 C4 121 ARG HH21 HC 0.460000 1.0080 0 6269 C4 121 ARG HH22 HC 0.460000 1.0080 0 6270 C4 121 ARG C C 0.510000 12.0110 0 6271 C4 121 ARG O O -0.510000 15.9990 0 6272 C4 122 ARG N NH1 -0.470000 14.0070 0 6273 C4 122 ARG HN H 0.310000 1.0080 0 6274 C4 122 ARG CA CT1 0.070000 12.0110 0 6275 C4 122 ARG HA HB 0.090000 1.0080 0 6276 C4 122 ARG CB CT2 -0.180000 12.0110 0 6277 C4 122 ARG HB1 HA 0.090000 1.0080 0 6278 C4 122 ARG HB2 HA 0.090000 1.0080 0 6279 C4 122 ARG CG CT2 -0.180000 12.0110 0 6280 C4 122 ARG HG1 HA 0.090000 1.0080 0 6281 C4 122 ARG HG2 HA 0.090000 1.0080 0 6282 C4 122 ARG CD CT2 0.200000 12.0110 0 6283 C4 122 ARG HD1 HA 0.090000 1.0080 0 6284 C4 122 ARG HD2 HA 0.090000 1.0080 0 6285 C4 122 ARG NE NC2 -0.700000 14.0070 0 6286 C4 122 ARG HE HC 0.440000 1.0080 0 6287 C4 122 ARG CZ C 0.640000 12.0110 0 6288 C4 122 ARG NH1 NC2 -0.800000 14.0070 0 6289 C4 122 ARG HH11 HC 0.460000 1.0080 0 6290 C4 122 ARG HH12 HC 0.460000 1.0080 0 6291 C4 122 ARG NH2 NC2 -0.800000 14.0070 0 6292 C4 122 ARG HH21 HC 0.460000 1.0080 0 6293 C4 122 ARG HH22 HC 0.460000 1.0080 0 6294 C4 122 ARG C C 0.510000 12.0110 0 6295 C4 122 ARG O O -0.510000 15.9990 0 6296 C4 123 GLY N NH1 -0.470000 14.0070 0 6297 C4 123 GLY HN H 0.310000 1.0080 0 6298 C4 123 GLY CA CT2 -0.020000 12.0110 0 6299 C4 123 GLY HA1 HB 0.090000 1.0080 0 6300 C4 123 GLY HA2 HB 0.090000 1.0080 0 6301 C4 123 GLY C C 0.510000 12.0110 0 6302 C4 123 GLY O O -0.510000 15.9990 0 6303 C4 124 HSE C CC 0.340000 12.0110 0 6304 C4 124 HSE OT1 OC -0.670000 15.9990 0 6305 C4 124 HSE OT2 OC -0.670000 15.9990 0 6306 C4 124 HSE N NH1 -0.470000 14.0070 0 6307 C4 124 HSE HN H 0.310000 1.0080 0 6308 C4 124 HSE CA CT1 0.070000 12.0110 0 6309 C4 124 HSE HA HB 0.090000 1.0080 0 6310 C4 124 HSE CB CT2 -0.080000 12.0110 0 6311 C4 124 HSE HB1 HA 0.090000 1.0080 0 6312 C4 124 HSE HB2 HA 0.090000 1.0080 0 6313 C4 124 HSE ND1 NR2 -0.700000 14.0070 0 6314 C4 124 HSE CG CPH1 0.220000 12.0110 0 6315 C4 124 HSE CE1 CPH2 0.250000 12.0110 0 6316 C4 124 HSE HE1 HR1 0.130000 1.0080 0 6317 C4 124 HSE NE2 NR1 -0.360000 14.0070 0 6318 C4 124 HSE HE2 H 0.320000 1.0080 0 6319 C4 124 HSE CD2 CPH1 -0.050000 12.0110 0 6320 C4 124 HSE HD2 HR3 0.090000 1.0080 0 6321 W4 1 TIP3 OH2 OT -0.834000 15.9994 0 6322 W4 1 TIP3 H1 HT 0.417000 1.0080 0 6323 W4 1 TIP3 H2 HT 0.417000 1.0080 0 6324 W4 2 TIP3 OH2 OT -0.834000 15.9994 0 6325 W4 2 TIP3 H1 HT 0.417000 1.0080 0 6326 W4 2 TIP3 H2 HT 0.417000 1.0080 0 6327 W4 4 TIP3 OH2 OT -0.834000 15.9994 0 6328 W4 4 TIP3 H1 HT 0.417000 1.0080 0 6329 W4 4 TIP3 H2 HT 0.417000 1.0080 0 6330 W4 9 TIP3 OH2 OT -0.834000 15.9994 0 6331 W4 9 TIP3 H1 HT 0.417000 1.0080 0 6332 W4 9 TIP3 H2 HT 0.417000 1.0080 0 6333 X1 3002 POT POT POT 1.000000 39.1020 0 6334 X1 3004 POT POT POT 1.000000 39.1020 0 6335 X1 3005 POT POT POT 1.000000 39.1020 0 6336 X1 3007 POT POT POT 1.000000 39.1020 0 6337 X2 3001 TIP3 OH2 OT -0.834000 15.9994 0 6338 X2 3001 TIP3 H1 HT 0.417000 1.0080 0 6339 X2 3001 TIP3 H2 HT 0.417000 1.0080 0 6340 X2 3003 TIP3 OH2 OT -0.834000 15.9994 0 6341 X2 3003 TIP3 H1 HT 0.417000 1.0080 0 6342 X2 3003 TIP3 H2 HT 0.417000 1.0080 0 6343 X2 3006 TIP3 OH2 OT -0.834000 15.9994 0 6344 X2 3006 TIP3 H1 HT 0.417000 1.0080 0 6345 X2 3006 TIP3 H2 HT 0.417000 1.0080 0 6402 !NBOND: bonds 1 5 2 1 3 1 4 1 5 6 7 5 7 8 7 9 10 7 10 11 12 5 12 14 13 12 14 15 14 16 16 17 18 16 18 19 18 20 18 21 22 16 22 24 23 22 24 25 24 26 26 27 28 26 28 29 28 30 31 28 31 32 33 31 33 34 33 35 33 36 37 31 37 38 37 39 37 40 41 26 41 43 42 41 43 44 43 45 45 46 47 45 47 48 47 49 50 51 51 47 52 53 52 50 54 56 54 52 54 55 56 57 56 51 58 45 58 60 59 58 60 61 60 62 62 63 64 62 64 65 64 66 67 64 68 69 68 67 70 68 70 72 70 71 72 73 73 67 73 74 74 75 76 80 76 77 76 74 78 72 78 79 80 81 80 78 82 62 82 84 83 82 84 85 84 86 86 87 88 86 88 89 88 90 91 88 91 92 91 93 94 91 94 95 94 96 97 94 97 98 99 97 99 100 100 101 100 102 103 99 103 104 103 105 106 86 106 108 107 106 108 109 108 110 110 111 112 110 112 113 112 114 112 115 116 110 116 118 117 116 118 119 118 120 120 121 122 120 122 123 122 124 122 125 126 120 126 128 127 126 128 129 128 130 130 131 130 132 133 130 133 135 134 133 135 136 135 137 137 138 139 137 139 140 139 141 139 142 143 137 143 145 144 143 145 146 145 147 147 148 149 147 149 150 149 151 149 152 153 147 153 155 154 153 155 156 155 157 157 158 159 157 159 160 161 159 161 162 163 159 163 164 163 165 163 166 167 157 167 169 168 167 169 170 169 171 171 172 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