Check of non-bonded contacts ---------------------------- Neighbouring Contact Locator - By David Jones, August 1990 Program is configured for 50000 atoms and 10000 residues. Enter the name of original coordinates file Input file name refined_19.new Output file name refined_19.nb Processing : refined_19.new Residue 1 is ASP 1- Unrecognized atom name HA from residue ASP Unrecognized atom name HB1 from residue ASP Unrecognized atom name HB2 from residue ASP Unrecognized atom name HT1 from residue ASP Unrecognized atom name HT2 from residue ASP Unrecognized atom name HT3 from residue ASP Residue 2 is PRO 2- Unrecognized atom name HA from residue PRO Unrecognized atom name HB1 from residue PRO Unrecognized atom name HB2 from residue PRO Unrecognized atom name HG1 from residue PRO Unrecognized atom name HG2 from residue PRO Unrecognized atom name HD1 from residue PRO Unrecognized atom name HD2 from residue PRO Residue 3 is ASN 3- Unrecognized atom name HN from residue ASN Unrecognized atom name HA from residue ASN Unrecognized atom name HB1 from residue ASN Unrecognized atom name HB2 from residue ASN Unrecognized atom name HD21 from residue ASN Unrecognized atom name HD22 from residue ASN Residue 4 is ALA 4- Unrecognized atom name HN from residue ALA Unrecognized atom name HA from residue ALA Unrecognized atom name HB1 from residue ALA Unrecognized atom name HB2 from residue ALA Unrecognized atom name HB3 from residue ALA Residue 5 is GLU 5- Unrecognized atom name HN from residue GLU Unrecognized atom name HA from residue GLU Unrecognized atom name HB1 from residue GLU Unrecognized atom name HB2 from residue GLU Unrecognized atom name HG1 from residue GLU Unrecognized atom name HG2 from residue GLU Residue 6 is PHE 6- Unrecognized atom name HN from residue PHE Unrecognized atom name HA from residue PHE Unrecognized atom name HB1 from residue PHE Unrecognized atom name HB2 from residue PHE Unrecognized atom name HD1 from residue PHE Unrecognized atom name HD2 from residue PHE Unrecognized atom name HE1 from residue PHE Unrecognized atom name HE2 from residue PHE Unrecognized atom name HZ from residue PHE Residue 7 is ASP 7- Unrecognized atom name HN from residue ASP Unrecognized atom name HA from residue ASP Unrecognized atom name HB1 from residue ASP Unrecognized atom name HB2 from residue ASP Residue 8 is PRO 8- Unrecognized atom name HA from residue PRO Unrecognized atom name HB1 from residue PRO Unrecognized atom name HB2 from residue PRO Unrecognized atom name HG1 from residue PRO Unrecognized atom name HG2 from residue PRO Unrecognized atom name HD1 from residue PRO Unrecognized atom name HD2 from residue PRO Residue 9 is ASP 9- Unrecognized atom name HN from residue ASP Unrecognized atom name HA from residue ASP Unrecognized atom name HB1 from residue ASP Unrecognized atom name HB2 from residue ASP Residue 10 is LEU 10- Unrecognized atom name HN from residue LEU Unrecognized atom name HA from residue LEU Unrecognized atom name HB1 from residue LEU Unrecognized atom name HB2 from residue LEU Unrecognized atom name HG from residue LEU Unrecognized atom name HD11 from residue LEU Unrecognized atom name HD12 from residue LEU Unrecognized atom name HD13 from residue LEU Unrecognized atom name HD21 from residue LEU Unrecognized atom name HD22 from residue LEU Unrecognized atom name HD23 from residue LEU Residue 11 is PRO 11- Unrecognized atom name HA from residue PRO Unrecognized atom name HB1 from residue PRO Unrecognized atom name HB2 from residue PRO Unrecognized atom name HG1 from residue PRO Unrecognized atom name HG2 from residue PRO Unrecognized atom name HD1 from residue PRO Unrecognized atom name HD2 from residue PRO Residue 12 is GLY 12- Unrecognized atom name HN from residue GLY Unrecognized atom name HA1 from residue GLY Unrecognized atom name HA2 from residue GLY Residue 13 is GLY 13- Unrecognized atom name HN from residue GLY Unrecognized atom name HA1 from residue GLY Unrecognized atom name HA2 from residue GLY Residue 14 is GLY 14- Unrecognized atom name HN from residue GLY Unrecognized atom name HA1 from residue GLY Unrecognized atom name HA2 from residue GLY Residue 15 is LEU 15- Unrecognized atom name HN from residue LEU Unrecognized atom name HA from residue LEU Unrecognized atom name HB1 from residue LEU Unrecognized atom name HB2 from residue LEU Unrecognized atom name HG from residue LEU Unrecognized atom name HD11 from residue LEU Unrecognized atom name HD12 from residue LEU Unrecognized atom name HD13 from residue LEU Unrecognized atom name HD21 from residue LEU Unrecognized atom name HD22 from residue LEU Unrecognized atom name HD23 from residue LEU Residue 16 is HIS 16- Unrecognized atom name HN from residue HIS Unrecognized atom name HA from residue HIS Unrecognized atom name HB1 from residue HIS Unrecognized atom name HB2 from residue HIS Unrecognized atom name HD1 from residue HIS Unrecognized atom name HD2 from residue HIS Unrecognized atom name HE1 from residue HIS Unrecognized atom name HE2 from residue HIS Residue 17 is ARG 17- Unrecognized atom name HN from residue ARG Unrecognized atom name HA from residue ARG Unrecognized atom name HB1 from residue ARG Unrecognized atom name HB2 from residue ARG Unrecognized atom name HG1 from residue ARG Unrecognized atom name HG2 from residue ARG Unrecognized atom name HD1 from residue ARG Unrecognized atom name HD2 from residue ARG Unrecognized atom name HE from residue ARG Unrecognized atom name HH11 from residue ARG Unrecognized atom name HH12 from residue ARG Unrecognized atom name HH21 from residue ARG Unrecognized atom name HH22 from residue ARG Residue 18 is CYS 18- Unrecognized atom name HN from residue CYS Unrecognized atom name HA from residue CYS Unrecognized atom name HB1 from residue CYS Unrecognized atom name HB2 from residue CYS Residue 19 is LEU 19- Unrecognized atom name HN from residue LEU Unrecognized atom name HA from residue LEU Unrecognized atom name HB1 from residue LEU Unrecognized atom name HB2 from residue LEU Unrecognized atom name HG from residue LEU Unrecognized atom name HD11 from residue LEU Unrecognized atom name HD12 from residue LEU Unrecognized atom name HD13 from residue LEU Unrecognized atom name HD21 from residue LEU Unrecognized atom name HD22 from residue LEU Unrecognized atom name HD23 from residue LEU Residue 20 is ALA 20- Unrecognized atom name HN from residue ALA Unrecognized atom name HA from residue ALA Unrecognized atom name HB1 from residue ALA Unrecognized atom name HB2 from residue ALA Unrecognized atom name HB3 from residue ALA Residue 21 is CYS 21- Unrecognized atom name HN from residue CYS Unrecognized atom name HA from residue CYS Unrecognized atom name HB1 from residue CYS Unrecognized atom name HB2 from residue CYS Residue 22 is ALA 22- Unrecognized atom name HN from residue ALA Unrecognized atom name HA from residue ALA Unrecognized atom name HB1 from residue ALA Unrecognized atom name HB2 from residue ALA Unrecognized atom name HB3 from residue ALA Residue 23 is ARG 23- Unrecognized atom name HN from residue ARG Unrecognized atom name HA from residue ARG Unrecognized atom name HB1 from residue ARG Unrecognized atom name HB2 from residue ARG Unrecognized atom name HG1 from residue ARG Unrecognized atom name HG2 from residue ARG Unrecognized atom name HD1 from residue ARG Unrecognized atom name HD2 from residue ARG Unrecognized atom name HE from residue ARG Unrecognized atom name HH11 from residue ARG Unrecognized atom name HH12 from residue ARG Unrecognized atom name HH21 from residue ARG Unrecognized atom name HH22 from residue ARG Residue 24 is TYR 24- Unrecognized atom name HN from residue TYR Unrecognized atom name HA from residue TYR Unrecognized atom name HB1 from residue TYR Unrecognized atom name HB2 from residue TYR Unrecognized atom name HD1 from residue TYR Unrecognized atom name HD2 from residue TYR Unrecognized atom name HE1 from residue TYR Unrecognized atom name HE2 from residue TYR Unrecognized atom name HH from residue TYR Residue 25 is PHE 25- Unrecognized atom name HN from residue PHE Unrecognized atom name HA from residue PHE Unrecognized atom name HB1 from residue PHE Unrecognized atom name HB2 from residue PHE Unrecognized atom name HD1 from residue PHE Unrecognized atom name HD2 from residue PHE Unrecognized atom name HE1 from residue PHE Unrecognized atom name HE2 from residue PHE Unrecognized atom name HZ from residue PHE Residue 26 is ILE 26- Unrecognized atom name HN from residue ILE Unrecognized atom name HA from residue ILE Unrecognized atom name HB from residue ILE Unrecognized atom name HD11 from residue ILE Unrecognized atom name HD12 from residue ILE Unrecognized atom name HD13 from residue ILE Residue 27 is ASP 27- Unrecognized atom name HN from residue ASP Unrecognized atom name HA from residue ASP Unrecognized atom name HB1 from residue ASP Unrecognized atom name HB2 from residue ASP Residue 28 is SER 28- Unrecognized atom name HN from residue SER Unrecognized atom name HA from residue SER Unrecognized atom name HB1 from residue SER Unrecognized atom name HB2 from residue SER Unrecognized atom name HG from residue SER Residue 29 is THR 29- Unrecognized atom name HN from residue THR Unrecognized atom name HA from residue THR Unrecognized atom name HB from residue THR Unrecognized atom name HG1 from residue THR Residue 30 is ASN 30- Unrecognized atom name HN from residue ASN Unrecognized atom name HA from residue ASN Unrecognized atom name HB1 from residue ASN Unrecognized atom name HB2 from residue ASN Unrecognized atom name HD21 from residue ASN Unrecognized atom name HD22 from residue ASN Residue 31 is LEU 31- Unrecognized atom name HN from residue LEU Unrecognized atom name HA from residue LEU Unrecognized atom name HB1 from residue LEU Unrecognized atom name HB2 from residue LEU Unrecognized atom name HG from residue LEU Unrecognized atom name HD11 from residue LEU Unrecognized atom name HD12 from residue LEU Unrecognized atom name HD13 from residue LEU Unrecognized atom name HD21 from residue LEU Unrecognized atom name HD22 from residue LEU Unrecognized atom name HD23 from residue LEU Residue 32 is LYS 32- Unrecognized atom name HN from residue LYS Unrecognized atom name HA from residue LYS Unrecognized atom name HB1 from residue LYS Unrecognized atom name HB2 from residue LYS Unrecognized atom name HG1 from residue LYS Unrecognized atom name HG2 from residue LYS Unrecognized atom name HD1 from residue LYS Unrecognized atom name HD2 from residue LYS Unrecognized atom name HE1 from residue LYS Unrecognized atom name HE2 from residue LYS Unrecognized atom name HZ1 from residue LYS Unrecognized atom name HZ2 from residue LYS Unrecognized atom name HZ3 from residue LYS Residue 33 is THR 33- Unrecognized atom name HN from residue THR Unrecognized atom name HA from residue THR Unrecognized atom name HB from residue THR Unrecognized atom name HG1 from residue THR Residue 34 is HIS 34- Unrecognized atom name HN from residue HIS Unrecognized atom name HA from residue HIS Unrecognized atom name HB1 from residue HIS Unrecognized atom name HB2 from residue HIS Unrecognized atom name HD1 from residue HIS Unrecognized atom name HD2 from residue HIS Unrecognized atom name HE1 from residue HIS Residue 35 is PHE 35- Unrecognized atom name HN from residue PHE Unrecognized atom name HA from residue PHE Unrecognized atom name HB1 from residue PHE Unrecognized atom name HB2 from residue PHE Unrecognized atom name HD1 from residue PHE Unrecognized atom name HD2 from residue PHE Unrecognized atom name HE1 from residue PHE Unrecognized atom name HE2 from residue PHE Unrecognized atom name HZ from residue PHE Residue 36 is ARG 36- Unrecognized atom name HN from residue ARG Unrecognized atom name HA from residue ARG Unrecognized atom name HB1 from residue ARG Unrecognized atom name HB2 from residue ARG Unrecognized atom name HG1 from residue ARG Unrecognized atom name HG2 from residue ARG Unrecognized atom name HD1 from residue ARG Unrecognized atom name HD2 from residue ARG Unrecognized atom name HE from residue ARG Unrecognized atom name HH11 from residue ARG Unrecognized atom name HH12 from residue ARG Unrecognized atom name HH21 from residue ARG Unrecognized atom name HH22 from residue ARG Residue 37 is SER 37- Unrecognized atom name HN from residue SER Unrecognized atom name HA from residue SER Unrecognized atom name HB1 from residue SER Unrecognized atom name HB2 from residue SER Unrecognized atom name HG from residue SER Residue 38 is LYS 38- Unrecognized atom name HN from residue LYS Unrecognized atom name HA from residue LYS Unrecognized atom name HB1 from residue LYS Unrecognized atom name HB2 from residue LYS Unrecognized atom name HG1 from residue LYS Unrecognized atom name HG2 from residue LYS Unrecognized atom name HD1 from residue LYS Unrecognized atom name HD2 from residue LYS Unrecognized atom name HE1 from residue LYS Unrecognized atom name HE2 from residue LYS Unrecognized atom name HZ1 from residue LYS Unrecognized atom name HZ2 from residue LYS Unrecognized atom name HZ3 from residue LYS Residue 39 is ASP 39- Unrecognized atom name HN from residue ASP Unrecognized atom name HA from residue ASP Unrecognized atom name HB1 from residue ASP Unrecognized atom name HB2 from residue ASP Residue 40 is HIS 40- Unrecognized atom name HN from residue HIS Unrecognized atom name HA from residue HIS Unrecognized atom name HB1 from residue HIS Unrecognized atom name HB2 from residue HIS Unrecognized atom name HD1 from residue HIS Unrecognized atom name HD2 from residue HIS Unrecognized atom name HE1 from residue HIS Residue 41 is LYS 41- Unrecognized atom name HN from residue LYS Unrecognized atom name HA from residue LYS Unrecognized atom name HB1 from residue LYS Unrecognized atom name HB2 from residue LYS Unrecognized atom name HG1 from residue LYS Unrecognized atom name HG2 from residue LYS Unrecognized atom name HD1 from residue LYS Unrecognized atom name HD2 from residue LYS Unrecognized atom name HE1 from residue LYS Unrecognized atom name HE2 from residue LYS Unrecognized atom name HZ1 from residue LYS Unrecognized atom name HZ2 from residue LYS Unrecognized atom name HZ3 from residue LYS Residue 42 is LYS 42- Unrecognized atom name HN from residue LYS Unrecognized atom name HA from residue LYS Unrecognized atom name HB1 from residue LYS Unrecognized atom name HB2 from residue LYS Unrecognized atom name HG1 from residue LYS Unrecognized atom name HG2 from residue LYS Unrecognized atom name HD1 from residue LYS Unrecognized atom name HD2 from residue LYS Unrecognized atom name HE1 from residue LYS Unrecognized atom name HE2 from residue LYS Unrecognized atom name HZ1 from residue LYS Unrecognized atom name HZ2 from residue LYS Unrecognized atom name HZ3 from residue LYS Residue 43 is ARG 43- Unrecognized atom name HN from residue ARG Unrecognized atom name HA from residue ARG Unrecognized atom name HB1 from residue ARG Unrecognized atom name HB2 from residue ARG Unrecognized atom name HG1 from residue ARG Unrecognized atom name HG2 from residue ARG Unrecognized atom name HD1 from residue ARG Unrecognized atom name HD2 from residue ARG Unrecognized atom name HE from residue ARG Unrecognized atom name HH11 from residue ARG Unrecognized atom name HH12 from residue ARG Unrecognized atom name HH21 from residue ARG Unrecognized atom name HH22 from residue ARG Residue 44 is LEU 44- Unrecognized atom name HN from residue LEU Unrecognized atom name HA from residue LEU Unrecognized atom name HB1 from residue LEU Unrecognized atom name HB2 from residue LEU Unrecognized atom name HG from residue LEU Unrecognized atom name HD11 from residue LEU Unrecognized atom name HD12 from residue LEU Unrecognized atom name HD13 from residue LEU Unrecognized atom name HD21 from residue LEU Unrecognized atom name HD22 from residue LEU Unrecognized atom name HD23 from residue LEU Residue 45 is LYS 45- Unrecognized atom name HN from residue LYS Unrecognized atom name HA from residue LYS Unrecognized atom name HB1 from residue LYS Unrecognized atom name HB2 from residue LYS Unrecognized atom name HG1 from residue LYS Unrecognized atom name HG2 from residue LYS Unrecognized atom name HD1 from residue LYS Unrecognized atom name HD2 from residue LYS Unrecognized atom name HE1 from residue LYS Unrecognized atom name HE2 from residue LYS Unrecognized atom name HZ1 from residue LYS Unrecognized atom name HZ2 from residue LYS Unrecognized atom name HZ3 from residue LYS Residue 46 is GLN 46- Unrecognized atom name HN from residue GLN Unrecognized atom name HA from residue GLN Unrecognized atom name HB1 from residue GLN Unrecognized atom name HB2 from residue GLN Unrecognized atom name HG1 from residue GLN Unrecognized atom name HG2 from residue GLN Residue 47 is LEU 47- Unrecognized atom name HN from residue LEU Unrecognized atom name HA from residue LEU Unrecognized atom name HB1 from residue LEU Unrecognized atom name HB2 from residue LEU Unrecognized atom name HG from residue LEU Unrecognized atom name HD11 from residue LEU Unrecognized atom name HD12 from residue LEU Unrecognized atom name HD13 from residue LEU Unrecognized atom name HD21 from residue LEU Unrecognized atom name HD22 from residue LEU Unrecognized atom name HD23 from residue LEU Residue 48 is SER 48- Unrecognized atom name HN from residue SER Unrecognized atom name HA from residue SER Unrecognized atom name HB1 from residue SER Unrecognized atom name HB2 from residue SER Unrecognized atom name HG from residue SER Residue 49 is VAL 49- Unrecognized atom name HN from residue VAL Unrecognized atom name HA from residue VAL Unrecognized atom name HB from residue VAL Residue 50 is GLU 50- Unrecognized atom name HN from residue GLU Unrecognized atom name HA from residue GLU Unrecognized atom name HB1 from residue GLU Unrecognized atom name HB2 from residue GLU Unrecognized atom name HG1 from residue GLU Unrecognized atom name HG2 from residue GLU Residue 51 is PRO 51- Unrecognized atom name HA from residue PRO Unrecognized atom name HB1 from residue PRO Unrecognized atom name HB2 from residue PRO Unrecognized atom name HG1 from residue PRO Unrecognized atom name HG2 from residue PRO Unrecognized atom name HD1 from residue PRO Unrecognized atom name HD2 from residue PRO Residue 52 is TYR 52- Unrecognized atom name HN from residue TYR Unrecognized atom name HA from residue TYR Unrecognized atom name HB1 from residue TYR Unrecognized atom name HB2 from residue TYR Unrecognized atom name HD1 from residue TYR Unrecognized atom name HD2 from residue TYR Unrecognized atom name HE1 from residue TYR Unrecognized atom name HE2 from residue TYR Unrecognized atom name HH from residue TYR Residue 53 is SER 53- Unrecognized atom name HN from residue SER Unrecognized atom name HA from residue SER Unrecognized atom name HB1 from residue SER Unrecognized atom name HB2 from residue SER Unrecognized atom name HG from residue SER Residue 54 is GLN 54- Unrecognized atom name HN from residue GLN Unrecognized atom name HA from residue GLN Unrecognized atom name HB1 from residue GLN Unrecognized atom name HB2 from residue GLN Unrecognized atom name HG1 from residue GLN Unrecognized atom name HG2 from residue GLN Residue 55 is GLU 55- Unrecognized atom name HN from residue GLU Unrecognized atom name HA from residue GLU Unrecognized atom name HB1 from residue GLU Unrecognized atom name HB2 from residue GLU Unrecognized atom name HG1 from residue GLU Unrecognized atom name HG2 from residue GLU Residue 56 is GLU 56- Unrecognized atom name HN from residue GLU Unrecognized atom name HA from residue GLU Unrecognized atom name HB1 from residue GLU Unrecognized atom name HB2 from residue GLU Unrecognized atom name HG1 from residue GLU Unrecognized atom name HG2 from residue GLU Residue 57 is ALA 57- Unrecognized atom name HN from residue ALA Unrecognized atom name HA from residue ALA Unrecognized atom name HB1 from residue ALA Unrecognized atom name HB2 from residue ALA Unrecognized atom name HB3 from residue ALA Residue 58 is GLU 58- Unrecognized atom name HN from residue GLU Unrecognized atom name HA from residue GLU Unrecognized atom name HB1 from residue GLU Unrecognized atom name HB2 from residue GLU Unrecognized atom name HG1 from residue GLU Unrecognized atom name HG2 from residue GLU Residue 59 is ARG 59- Unrecognized atom name HN from residue ARG Unrecognized atom name HA from residue ARG Unrecognized atom name HB1 from residue ARG Unrecognized atom name HB2 from residue ARG Unrecognized atom name HG1 from residue ARG Unrecognized atom name HG2 from residue ARG Unrecognized atom name HD1 from residue ARG Unrecognized atom name HD2 from residue ARG Unrecognized atom name HE from residue ARG Unrecognized atom name HH11 from residue ARG Unrecognized atom name HH12 from residue ARG Unrecognized atom name HH21 from residue ARG Unrecognized atom name HH22 from residue ARG Residue 60 is ALA 60- Unrecognized atom name HN from residue ALA Unrecognized atom name HA from residue ALA Unrecognized atom name HB1 from residue ALA Unrecognized atom name HB2 from residue ALA Unrecognized atom name HB3 from residue ALA Residue 61 is ALA 61- Unrecognized atom name HN from residue ALA Unrecognized atom name HA from residue ALA Unrecognized atom name HB1 from residue ALA Unrecognized atom name HB2 from residue ALA Unrecognized atom name HB3 from residue ALA Residue 62 is GLY 62- Unrecognized atom name HN from residue GLY Unrecognized atom name HA1 from residue GLY Unrecognized atom name HA2 from residue GLY Residue 63 is MET 63- Unrecognized atom name HN from residue MET Unrecognized atom name HA from residue MET Unrecognized atom name HB1 from residue MET Unrecognized atom name HB2 from residue MET Unrecognized atom name HG1 from residue MET Unrecognized atom name HG2 from residue MET Unrecognized atom name HE1 from residue MET Unrecognized atom name HE2 from residue MET Unrecognized atom name HE3 from residue MET Residue 64 is GLY 64- Unrecognized atom name HN from residue GLY Unrecognized atom name HA1 from residue GLY Unrecognized atom name HA2 from residue GLY Residue 65 is SER 65- Unrecognized atom name HN from residue SER Unrecognized atom name HA from residue SER Unrecognized atom name HB1 from residue SER Unrecognized atom name HB2 from residue SER Unrecognized atom name HG from residue SER Residue 66 is TYR 66- Unrecognized atom name HN from residue TYR Unrecognized atom name HA from residue TYR Unrecognized atom name HB1 from residue TYR Unrecognized atom name HB2 from residue TYR Unrecognized atom name HD1 from residue TYR Unrecognized atom name HD2 from residue TYR Unrecognized atom name HE1 from residue TYR Unrecognized atom name HE2 from residue TYR Unrecognized atom name HH from residue TYR Residue 67 is VAL 67- Unrecognized atom name HN from residue VAL Unrecognized atom name HA from residue VAL Unrecognized atom name HB from residue VAL Residue ZIN is not recognized by NEIGHBOUR 529 potential contact atoms selected from 67 residues. Checking for disulphide bridges . . . done. Checking for neighbours . . . 195 neighbouring contacts found. * Program completed