Receptor preparation issue. #382
Description
When I run this command: $ mk_prepare_receptor.py --pdb 4bkx_clean.pdb -o output_protein.pdbqt --skip_gpf
I get this issue:
did not match ('A', 'GLY', 165) with template
did not match ('A', 'GLU', 166) with template
did not match ('A', 'ILE', 167) with template
did not match ('A', 'ARG', 168) with template
did not match ('A', 'VAL', 169) with template
did not match ('A', 'GLY', 170) with template
did not match ('A', 'ASN', 171) with template
did not match ('A', 'ARG', 172) with template
did not match ('A', 'TYR', 173) with template
did not match ('A', 'GLN', 174) with template
did not match ('A', 'ALA', 175) with template
did not match ('A', 'ASP', 176) with template
did not match ('A', 'ILE', 177) with template
did not match ('A', 'THR', 178) with template
did not match ('A', 'ASP', 179) with template
did not match ('A', 'LEU', 180) with template
did not match ('A', 'LEU', 181) with template
did not match ('A', 'LYS', 182) with template
did not match ('A', 'GLU', 183) with template
did not match ('A', 'GLY', 184) with template
did not match ('A', 'GLU', 185) with template
did not match ('A', 'GLU', 186) with template
did not match ('A', 'ASP', 187) with template
did not match ('A', 'GLY', 188) with template
did not match ('A', 'ARG', 189) with template
did not match ('A', 'ASP', 190) with template
did not match ('A', 'GLN', 191) with template
did not match ('A', 'SER', 192) with template
did not match ('A', 'ARG', 193) with template
did not match ('A', 'LEU', 194) with template
did not match ('A', 'GLU', 195) with template
did not match ('A', 'THR', 196) with template
did not match ('A', 'GLN', 197) with template
did not match ('A', 'VAL', 198) with template
did not match ('A', 'TRP', 199) with template
did not match ('A', 'GLU', 200) with template
did not match ('A', 'ALA', 201) with template
did not match ('A', 'HIS', 202) with template
did not match ('A', 'ASN', 203) with template
did not match ('A', 'PRO', 204) with template
did not match ('A', 'LEU', 205) with template
did not match ('A', 'THR', 206) with template
did not match ('A', 'ASP', 207) with template
did not match ('A', 'LYS', 208) with template
did not match ('A', 'GLN', 209) with template
did not match ('A', 'ILE', 210) with template
did not match ('A', 'ASP', 211) with template
did not match ('A', 'GLN', 212) with template
did not match ('A', 'PHE', 213) with template
did not match ('A', 'LEU', 214) with template
did not match ('A', 'VAL', 215) with template
did not match ('A', 'VAL', 216) with template
did not match ('A', 'ALA', 217) with template
did not match ('A', 'ARG', 218) with template
did not match ('A', 'SER', 219) with template
did not match ('A', 'VAL', 220) with template
did not match ('A', 'GLY', 221) with template
did not match ('A', 'THR', 222) with template
did not match ('A', 'PHE', 223) with template
did not match ('A', 'ALA', 224) with template
did not match ('A', 'ARG', 225) with template
did not match ('A', 'ALA', 226) with template
did not match ('A', 'LEU', 227) with template
did not match ('A', 'ASP', 228) with template
did not match ('A', 'SER', 237) with template
did not match ('A', 'LEU', 238) with template
did not match ('A', 'HIS', 239) with template
did not match ('A', 'MET', 240) with template
did not match ('A', 'SER', 241) with template
did not match ('A', 'ALA', 242) with template
did not match ('A', 'ALA', 243) with template
did not match ('A', 'ALA', 244) with template
did not match ('A', 'ALA', 245) with template
did not match ('A', 'SER', 246) with template
did not match ('A', 'ARG', 247) with template
did not match ('A', 'ASP', 248) with template
did not match ('A', 'ILE', 249) with template
did not match ('A', 'THR', 250) with template
did not match ('A', 'LEU', 251) with template
did not match ('A', 'PHE', 252) with template
did not match ('A', 'HIS', 253) with template
did not match ('A', 'ALA', 254) with template
did not match ('A', 'MET', 255) with template
did not match ('A', 'ASP', 256) with template
did not match ('A', 'THR', 257) with template
did not match ('A', 'LEU', 258) with template
did not match ('A', 'HIS', 259) with template
did not match ('A', 'LYS', 260) with template
did not match ('A', 'ASN', 261) with template
did not match ('A', 'ILE', 262) with template
did not match ('A', 'TYR', 263) with template
did not match ('A', 'ASP', 264) with template
did not match ('A', 'ILE', 265) with template
did not match ('A', 'SER', 266) with template
did not match ('A', 'LYS', 267) with template
did not match ('A', 'ALA', 268) with template
did not match ('A', 'ILE', 269) with template
did not match ('A', 'SER', 270) with template
did not match ('A', 'ALA', 271) with template
did not match ('A', 'LEU', 272) with template
did not match ('A', 'VAL', 273) with template
did not match ('A', 'PRO', 274) with template
did not match ('A', 'GLN', 275) with template
did not match ('A', 'GLY', 276) with template
did not match ('A', 'GLY', 277) with template
did not match ('A', 'PRO', 278) with template
did not match ('A', 'VAL', 279) with template
did not match ('A', 'LEU', 280) with template
did not match ('A', 'CYS', 281) with template
did not match ('A', 'ARG', 282) with template
did not match ('A', 'ASP', 283) with template
did not match ('A', 'GLU', 284) with template
did not match ('A', 'MET', 285) with template
did not match ('A', 'GLU', 286) with template
did not match ('A', 'GLU', 287) with template
did not match ('A', 'TRP', 288) with template
did not match ('A', 'SER', 289) with template
did not match ('A', 'ALA', 290) with template
did not match ('A', 'SER', 291) with template
did not match ('A', 'GLU', 292) with template
did not match ('A', 'ALA', 293) with template
did not match ('A', 'ASN', 294) with template
did not match ('A', 'LEU', 295) with template
did not match ('A', 'PHE', 296) with template
did not match ('A', 'GLU', 297) with template
did not match ('A', 'GLU', 298) with template
did not match ('A', 'ALA', 299) with template
did not match ('A', 'LEU', 300) with template
did not match ('A', 'GLU', 301) with template
did not match ('A', 'LYS', 302) with template
did not match ('A', 'TYR', 303) with template
did not match ('A', 'GLY', 304) with template
did not match ('A', 'LYS', 305) with template
did not match ('A', 'ASP', 306) with template
did not match ('A', 'PHE', 307) with template
did not match ('A', 'THR', 308) with template
did not match ('A', 'ASP', 309) with template
did not match ('A', 'ILE', 310) with template
did not match ('A', 'GLN', 311) with template
did not match ('A', 'GLN', 312) with template
did not match ('A', 'ASP', 313) with template
did not match ('A', 'PHE', 314) with template
did not match ('A', 'LEU', 315) with template
did not match ('A', 'PRO', 316) with template
did not match ('A', 'TRP', 317) with template
did not match ('A', 'LYS', 318) with template
did not match ('A', 'SER', 319) with template
did not match ('A', 'LEU', 320) with template
did not match ('A', 'THR', 321) with template
did not match ('A', 'SER', 322) with template
did not match ('A', 'ILE', 323) with template
did not match ('A', 'ILE', 324) with template
did not match ('A', 'GLU', 325) with template
did not match ('A', 'TYR', 326) with template
did not match ('A', 'TYR', 327) with template
did not match ('A', 'TYR', 328) with template
did not match ('A', 'MET', 329) with template
did not match ('A', 'TRP', 330) with template
did not match ('A', 'LYS', 331) with template
did not match ('A', 'THR', 332) with template
did not match ('A', 'THR', 333) with template
did not match ('B', 'ARG', 8) with template
did not match ('B', 'ARG', 9) with template
did not match ('B', 'LYS', 10) with template
did not match ('B', 'VAL', 11) with template
did not match ('B', 'CYS', 12) with template
did not match ('B', 'TYR', 13) with template
did not match ('B', 'TYR', 14) with template
did not match ('B', 'TYR', 15) with template
did not match ('B', 'ASP', 16) with template
did not match ('B', 'GLY', 17) with template
did not match ('B', 'ASP', 18) with template
did not match ('B', 'VAL', 19) with template
did not match ('B', 'GLY', 20) with template
did not match ('B', 'ASN', 21) with template
did not match ('B', 'TYR', 22) with template
did not match ('B', 'TYR', 23) with template
did not match ('B', 'TYR', 24) with template
did not match ('B', 'GLY', 25) with template
did not match ('B', 'GLN', 26) with template
did not match ('B', 'GLY', 27) with template
did not match ('B', 'HIS', 28) with template
did not match ('B', 'PRO', 29) with template
did not match ('B', 'MET', 30) with template
did not match ('B', 'LYS', 31) with template
did not match ('B', 'PRO', 32) with template
did not match ('B', 'HIS', 33) with template
did not match ('B', 'ARG', 34) with template
did not match ('B', 'ILE', 35) with template
did not match ('B', 'ARG', 36) with template
did not match ('B', 'MET', 37) with template
did not match ('B', 'THR', 38) with template
did not match ('B', 'HIS', 39) with template
did not match ('B', 'ASN', 40) with template
did not match ('B', 'LEU', 41) with template
did not match ('B', 'LEU', 42) with template
did not match ('B', 'LEU', 43) with template
did not match ('B', 'ASN', 44) with template
did not match ('B', 'TYR', 45) with template
did not match ('B', 'GLY', 46) with template
did not match ('B', 'LEU', 47) with template
did not match ('B', 'TYR', 48) with template
did not match ('B', 'ARG', 49) with template
did not match ('B', 'LYS', 50) with template
did not match ('B', 'MET', 51) with template
did not match ('B', 'GLU', 52) with template
did not match ('B', 'ILE', 53) with template
did not match ('B', 'TYR', 54) with template
did not match ('B', 'ARG', 55) with template
did not match ('B', 'PRO', 56) with template
did not match ('B', 'HIS', 57) with template
did not match ('B', 'LYS', 58) with template
did not match ('B', 'ALA', 59) with template
did not match ('B', 'ASN', 60) with template
did not match ('B', 'ALA', 61) with template
did not match ('B', 'GLU', 62) with template
did not match ('B', 'GLU', 63) with template
did not match ('B', 'MET', 64) with template
did not match ('B', 'THR', 65) with template
did not match ('B', 'LYS', 66) with template
did not match ('B', 'TYR', 67) with template
did not match ('B', 'HIS', 68) with template
did not match ('B', 'SER', 69) with template
did not match ('B', 'ASP', 70) with template
did not match ('B', 'ASP', 71) with template
did not match ('B', 'TYR', 72) with template
did not match ('B', 'ILE', 73) with template
did not match ('B', 'LYS', 74) with template
did not match ('B', 'PHE', 75) with template
did not match ('B', 'LEU', 76) with template
did not match ('B', 'ARG', 77) with template
did not match ('B', 'SER', 78) with template
did not match ('B', 'ILE', 79) with template
did not match ('B', 'ARG', 80) with template
did not match ('B', 'PRO', 81) with template
did not match ('B', 'ASP', 82) with template
did not match ('B', 'ASN', 83) with template
did not match ('B', 'MET', 84) with template
did not match ('B', 'SER', 85) with template
did not match ('B', 'GLU', 86) with template
did not match ('B', 'TYR', 87) with template
did not match ('B', 'SER', 88) with template
did not match ('B', 'LYS', 89) with template
did not match ('B', 'GLN', 90) with template
did not match ('B', 'MET', 91) with template
did not match ('B', 'GLN', 92) with template
did not match ('B', 'ARG', 93) with template
did not match ('B', 'PHE', 94) with template
did not match ('B', 'ASN', 95) with template
did not match ('B', 'VAL', 96) with template
did not match ('B', 'GLY', 97) with template
did not match ('B', 'GLU', 98) with template
did not match ('B', 'ASP', 99) with template
did not match ('B', 'CYS', 100) with template
did not match ('B', 'PRO', 101) with template
did not match ('B', 'VAL', 102) with template
did not match ('B', 'PHE', 103) with template
did not match ('B', 'ASP', 104) with template
did not match ('B', 'GLY', 105) with template
did not match ('B', 'LEU', 106) with template
did not match ('B', 'PHE', 107) with template
did not match ('B', 'GLU', 108) with template
did not match ('B', 'PHE', 109) with template
did not match ('B', 'CYS', 110) with template
did not match ('B', 'GLN', 111) with template
did not match ('B', 'LEU', 112) with template
did not match ('B', 'SER', 113) with template
did not match ('B', 'THR', 114) with template
did not match ('B', 'GLY', 115) with template
did not match ('B', 'GLY', 116) with template
did not match ('B', 'SER', 117) with template
did not match ('B', 'VAL', 118) with template
did not match ('B', 'ALA', 119) with template
did not match ('B', 'SER', 120) with template
did not match ('B', 'ALA', 121) with template
did not match ('B', 'VAL', 122) with template
did not match ('B', 'LYS', 123) with template
did not match ('B', 'LEU', 124) with template
did not match ('B', 'ASN', 125) with template
did not match ('B', 'LYS', 126) with template
did not match ('B', 'GLN', 127) with template
did not match ('B', 'GLN', 128) with template
did not match ('B', 'THR', 129) with template
did not match ('B', 'ASP', 130) with template
did not match ('B', 'ILE', 131) with template
did not match ('B', 'ALA', 132) with template
did not match ('B', 'VAL', 133) with template
did not match ('B', 'ASN', 134) with template
did not match ('B', 'TRP', 135) with template
did not match ('B', 'ALA', 136) with template
did not match ('B', 'GLY', 137) with template
did not match ('B', 'GLY', 138) with template
did not match ('B', 'LEU', 139) with template
did not match ('B', 'HIS', 140) with template
did not match ('B', 'HIS', 141) with template
did not match ('B', 'ALA', 142) with template
did not match ('B', 'LYS', 143) with template
did not match ('B', 'LYS', 144) with template
did not match ('B', 'SER', 145) with template
did not match ('B', 'GLU', 146) with template
did not match ('B', 'ALA', 147) with template
did not match ('B', 'SER', 148) with template
did not match ('B', 'GLY', 149) with template
did not match ('B', 'PHE', 150) with template
did not match ('B', 'CYS', 151) with template
did not match ('B', 'TYR', 152) with template
did not match ('B', 'VAL', 153) with template
did not match ('B', 'ASN', 154) with template
did not match ('B', 'ASP', 155) with template
did not match ('B', 'ILE', 156) with template
did not match ('B', 'VAL', 157) with template
did not match ('B', 'LEU', 158) with template
did not match ('B', 'ALA', 159) with template
did not match ('B', 'ILE', 160) with template
did not match ('B', 'LEU', 161) with template
did not match ('B', 'GLU', 162) with template
did not match ('B', 'LEU', 163) with template
did not match ('B', 'LEU', 164) with template
did not match ('B', 'LYS', 165) with template
did not match ('B', 'TYR', 166) with template
did not match ('B', 'HIS', 167) with template
did not match ('B', 'GLN', 168) with template
did not match ('B', 'ARG', 169) with template
did not match ('B', 'VAL', 170) with template
did not match ('B', 'LEU', 171) with template
did not match ('B', 'TYR', 172) with template
did not match ('B', 'ILE', 173) with template
did not match ('B', 'ASP', 174) with template
did not match ('B', 'ILE', 175) with template
did not match ('B', 'ASP', 176) with template
did not match ('B', 'ILE', 177) with template
did not match ('B', 'HIS', 178) with template
did not match ('B', 'HIS', 179) with template
did not match ('B', 'GLY', 180) with template
did not match ('B', 'ASP', 181) with template
did not match ('B', 'GLY', 182) with template
did not match ('B', 'VAL', 183) with template
did not match ('B', 'GLU', 184) with template
did not match ('B', 'GLU', 185) with template
did not match ('B', 'ALA', 186) with template
did not match ('B', 'PHE', 187) with template
did not match ('B', 'TYR', 188) with template
did not match ('B', 'THR', 189) with template
did not match ('B', 'THR', 190) with template
did not match ('B', 'ASP', 191) with template
did not match ('B', 'ARG', 192) with template
did not match ('B', 'VAL', 193) with template
did not match ('B', 'MET', 194) with template
did not match ('B', 'THR', 195) with template
did not match ('B', 'VAL', 196) with template
did not match ('B', 'SER', 197) with template
did not match ('B', 'PHE', 198) with template
did not match ('B', 'HIS', 199) with template
did not match ('B', 'LYS', 200) with template
did not match ('B', 'TYR', 201) with template
did not match ('B', 'GLY', 202) with template
did not match ('B', 'GLU', 203) with template
did not match ('B', 'TYR', 204) with template
did not match ('B', 'PHE', 205) with template
did not match ('B', 'PRO', 206) with template
did not match ('B', 'GLY', 207) with template
did not match ('B', 'THR', 208) with template
did not match ('B', 'GLY', 209) with template
did not match ('B', 'ASP', 210) with template
did not match ('B', 'LEU', 211) with template
did not match ('B', 'ARG', 212) with template
did not match ('B', 'ASP', 213) with template
did not match ('B', 'ILE', 214) with template
did not match ('B', 'GLY', 215) with template
did not match ('B', 'ALA', 216) with template
did not match ('B', 'GLY', 217) with template
did not match ('B', 'LYS', 218) with template
did not match ('B', 'GLY', 219) with template
did not match ('B', 'LYS', 220) with template
did not match ('B', 'TYR', 221) with template
did not match ('B', 'TYR', 222) with template
did not match ('B', 'ALA', 223) with template
did not match ('B', 'VAL', 224) with template
did not match ('B', 'ASN', 225) with template
did not match ('B', 'TYR', 226) with template
did not match ('B', 'PRO', 227) with template
did not match ('B', 'LEU', 228) with template
did not match ('B', 'ARG', 229) with template
did not match ('B', 'ASP', 230) with template
did not match ('B', 'GLY', 231) with template
did not match ('B', 'ILE', 232) with template
did not match ('B', 'ASP', 233) with template
did not match ('B', 'ASP', 234) with template
did not match ('B', 'GLU', 235) with template
did not match ('B', 'SER', 236) with template
did not match ('B', 'TYR', 237) with template
did not match ('B', 'GLU', 238) with template
did not match ('B', 'ALA', 239) with template
did not match ('B', 'ILE', 240) with template
did not match ('B', 'PHE', 241) with template
did not match ('B', 'LYS', 242) with template
did not match ('B', 'PRO', 243) with template
did not match ('B', 'VAL', 244) with template
did not match ('B', 'MET', 245) with template
did not match ('B', 'SER', 246) with template
did not match ('B', 'LYS', 247) with template
did not match ('B', 'VAL', 248) with template
did not match ('B', 'MET', 249) with template
did not match ('B', 'GLU', 250) with template
did not match ('B', 'MET', 251) with template
did not match ('B', 'PHE', 252) with template
did not match ('B', 'GLN', 253) with template
did not match ('B', 'PRO', 254) with template
did not match ('B', 'SER', 255) with template
did not match ('B', 'ALA', 256) with template
did not match ('B', 'VAL', 257) with template
did not match ('B', 'VAL', 258) with template
did not match ('B', 'LEU', 259) with template
did not match ('B', 'GLN', 260) with template
did not match ('B', 'CYS', 261) with template
did not match ('B', 'GLY', 262) with template
did not match ('B', 'SER', 263) with template
did not match ('B', 'ASP', 264) with template
did not match ('B', 'SER', 265) with template
did not match ('B', 'LEU', 266) with template
did not match ('B', 'SER', 267) with template
did not match ('B', 'GLY', 268) with template
did not match ('B', 'ASP', 269) with template
did not match ('B', 'ARG', 270) with template
did not match ('B', 'LEU', 271) with template
did not match ('B', 'GLY', 272) with template
did not match ('B', 'CYS', 273) with template
did not match ('B', 'PHE', 274) with template
did not match ('B', 'ASN', 275) with template
did not match ('B', 'LEU', 276) with template
did not match ('B', 'THR', 277) with template
did not match ('B', 'ILE', 278) with template
did not match ('B', 'LYS', 279) with template
did not match ('B', 'GLY', 280) with template
did not match ('B', 'HIS', 281) with template
did not match ('B', 'ALA', 282) with template
did not match ('B', 'LYS', 283) with template
did not match ('B', 'CYS', 284) with template
did not match ('B', 'VAL', 285) with template
did not match ('B', 'GLU', 286) with template
did not match ('B', 'PHE', 287) with template
did not match ('B', 'VAL', 288) with template
did not match ('B', 'LYS', 289) with template
did not match ('B', 'SER', 290) with template
did not match ('B', 'PHE', 291) with template
did not match ('B', 'ASN', 292) with template
did not match ('B', 'LEU', 293) with template
did not match ('B', 'PRO', 294) with template
did not match ('B', 'MET', 295) with template
did not match ('B', 'LEU', 296) with template
did not match ('B', 'MET', 297) with template
did not match ('B', 'LEU', 298) with template
did not match ('B', 'GLY', 299) with template
did not match ('B', 'GLY', 300) with template
did not match ('B', 'GLY', 301) with template
did not match ('B', 'GLY', 302) with template
did not match ('B', 'TYR', 303) with template
did not match ('B', 'THR', 304) with template
did not match ('B', 'ILE', 305) with template
did not match ('B', 'ARG', 306) with template
did not match ('B', 'ASN', 307) with template
did not match ('B', 'VAL', 308) with template
did not match ('B', 'ALA', 309) with template
did not match ('B', 'ARG', 310) with template
did not match ('B', 'CYS', 311) with template
did not match ('B', 'TRP', 312) with template
did not match ('B', 'THR', 313) with template
did not match ('B', 'TYR', 314) with template
did not match ('B', 'GLU', 315) with template
did not match ('B', 'THR', 316) with template
did not match ('B', 'ALA', 317) with template
did not match ('B', 'VAL', 318) with template
did not match ('B', 'ALA', 319) with template
did not match ('B', 'LEU', 320) with template
did not match ('B', 'ASP', 321) with template
did not match ('B', 'THR', 322) with template
did not match ('B', 'GLU', 323) with template
did not match ('B', 'ILE', 324) with template
did not match ('B', 'PRO', 325) with template
did not match ('B', 'ASN', 326) with template
did not match ('B', 'GLU', 327) with template
did not match ('B', 'LEU', 328) with template
did not match ('B', 'PRO', 329) with template
did not match ('B', 'TYR', 330) with template
did not match ('B', 'ASN', 331) with template
did not match ('B', 'ASP', 332) with template
did not match ('B', 'TYR', 333) with template
did not match ('B', 'PHE', 334) with template
did not match ('B', 'GLU', 335) with template
did not match ('B', 'TYR', 336) with template
did not match ('B', 'PHE', 337) with template
did not match ('B', 'GLY', 338) with template
did not match ('B', 'PRO', 339) with template
did not match ('B', 'ASP', 340) with template
did not match ('B', 'PHE', 341) with template
did not match ('B', 'LYS', 342) with template
did not match ('B', 'LEU', 343) with template
did not match ('B', 'HIS', 344) with template
did not match ('B', 'ILE', 345) with template
did not match ('B', 'SER', 346) with template
did not match ('B', 'PRO', 347) with template
did not match ('B', 'SER', 348) with template
did not match ('B', 'ASN', 349) with template
did not match ('B', 'MET', 350) with template
did not match ('B', 'THR', 351) with template
did not match ('B', 'ASN', 352) with template
did not match ('B', 'GLN', 353) with template
did not match ('B', 'ASN', 354) with template
did not match ('B', 'THR', 355) with template
did not match ('B', 'ASN', 356) with template
did not match ('B', 'GLU', 357) with template
did not match ('B', 'TYR', 358) with template
did not match ('B', 'LEU', 359) with template
did not match ('B', 'GLU', 360) with template
did not match ('B', 'LYS', 361) with template
did not match ('B', 'ILE', 362) with template
did not match ('B', 'LYS', 363) with template
did not match ('B', 'GLN', 364) with template
did not match ('B', 'ARG', 365) with template
did not match ('B', 'LEU', 366) with template
did not match ('B', 'PHE', 367) with template
did not match ('B', 'GLU', 368) with template
did not match ('B', 'ASN', 369) with template
did not match ('B', 'LEU', 370) with template
did not match ('B', 'ARG', 371) with template
did not match ('B', 'MET', 372) with template
did not match ('B', 'LEU', 373) with template
did not match ('B', 'PRO', 374) with template
did not match ('B', 'HIS', 375) with template
did not match ('B', 'ALA', 376) with template
did not match ('B', 'ZN', 600) with template
Error: residue HIS not in residue_params
residue HIS not in residue_params
residue HIS not in residue_params
residue HIS not in residue_params
residue HIS not in residue_params
residue HIS not in residue_params
residue HIS not in residue_params
residue HIS not in residue_params
residue HIS not in residue_params
residue HIS not in residue_params
residue HIS not in residue_params
residue HIS not in residue_params
residue HIS not in residue_params
residue HIS not in residue_params
residue HIS not in residue_params
residue HIS not in residue_params
residue HIS not in residue_params
residue HIS not in residue_params
residue ZN not in residue_params