HEADER DE NOVO PROTEIN 21-AUG-08 SMS20037 TITLE CYCLIC PSEUDOTETRAPEPTIDE D-PHE-L-TRP-L-LYS-L-THR COMPND MOL_ID: 1; COMPND 2 MOLECULE: SOMATOSTATIN-14; COMPND 3 CHAIN: A; COMPND 4 FRAGMENT: UNP RESIDUES 109-112; COMPND 5 SYNONYM: 14DFWKT, GROWTH HORMONE RELEASE-INHIBITING FACTOR, COMPND 6 SOMATOSTATIN-14; COMPND 7 ENGINEERED: YES; COMPND 8 OTHER_DETAILS: MODIFIED SOMATOSTATIN-14, RECEPTOR-SELECTIVE COMPND 9 SOMATOSTATIN ANALOGUES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: HOMO SAPIENS; SOURCE 4 ORGANISM_COMMON: HUMAN; SOURCE 5 ORGANISM_TAXID: 9606; SOURCE 6 OTHER_DETAILS: CHEMICAL SYNTHESIS KEYWDS CYCLIC TETRAPEPTIDE, TRIAZOLE, CYCLIC PSEUDOTETRAPEPTIDE, SAR, KEYWDS 2 SOMATOSTATIN, HORMONE/GROWTH FACTOR, DE NOVO PROTEIN EXPDTA SOLUTION NMR NUMMDL 28 AUTHOR J.M.BEIERLE JRNL AUTH J.M.BEIERLE,W.S.HORNE,J.H.VAN MAARSEVEEN,B.WASER,J.C.REUBI, JRNL AUTH 2 M.R.GHADIRI JRNL TITL CONFORMATIONALLY HOMOGENEOUS HETEROCYCLIC JRNL TITL 2 PSEUDOTETRAPEPTIDES AS THREE-DIMENSIONAL SCAFFOLDS FOR JRNL TITL 3 RATIONAL DRUG DESIGN: RECEPTOR-SELECTIVE SOMATOSTATIN JRNL TITL 4 ANALOGUES JRNL REF ANGEW.CHEM.INT.ED.ENGL. V. 48 4725 2009 JRNL REFN ISSN 1433-7851 JRNL PMID 19266506 JRNL DOI 10.1002/ANIE.200805901 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS REMARK 3 AUTHORS : BRUNGER, ADAMS, CLORE, GROS, NILGES AND READ REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: NULL REMARK 4 REMARK 4 NULL COMPLIES WITH FORMAT V. 3.20, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY PDBJ ON 05-NOV-10. REMARK 100 THE BMRB ID CODE IS SMS20037. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 295 REMARK 210 PH : NULL REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : NULL REMARK 210 SAMPLE CONTENTS : 7-12MM CYCLO[1,4-1,2,3-TRIAZOLE- REMARK 210 D-PHE-L-TRP-L-LYS-L-THR]; DMSO REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D 1H-1H ROESY; 2D 1H-1H TOCSY REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ REMARK 210 SPECTROMETER MODEL : DRX REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : CNS REMARK 210 METHOD USED : DGSA-DISTANCE GEOMETRY SIMULATED REMARK 210 ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 50 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 28 REMARK 210 CONFORMERS, SELECTION CRITERIA : STRUCTURES WITH THE LEAST REMARK 210 RESTRAINT VIOLATIONS REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 300 REMARK 300 BIOMOLECULE: 1 REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON REMARK 300 BURIED SURFACE AREA. REMARK 350 REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN. REMARK 350 REMARK 350 BIOMOLECULE: 1 REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC REMARK 350 APPLY THE FOLLOWING TO CHAINS: A REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000 REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000 REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: CLOSE CONTACTS REMARK 500 REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT. REMARK 500 REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE REMARK 500 NT1 UVR A 1 CT4 UVR A 4 2.15 REMARK 500 NT2 UVR A 1 CT4 UVR A 4 2.16 REMARK 500 NT2 UVR A 1 CT5 UVR A 4 2.19 REMARK 500 REMARK 500 REMARK: NULL REMARK 600 REMARK 600 HETEROGEN REMARK 600 UVR IS USED FOR RESIDUE WHICH IS UNDEFINED IN THE CHEMICAL REMARK 600 COMPONENT DICTIONARY BY THE PDB AT THE TIME OF PROCESSING. REMARK 600 IN THIS ENTRY, UVR IS USED FOR TWO UNIQUE MOLECULES. REMARK 600 UVR 1 IS A MODIFIED PHE WITH THREE NITROGENS OF REMARK 600 1,4-DISUBSTITUTED 1,2,3-TRIAZOLE. IT WAS TRP-D-PHE-AZIDE AS A REMARK 600 STARTING MATERIAL. REMARK 600 UVR 4 IS A MODIFIED THR WITH C-N OF 1,4-DISUBSTITUTED REMARK 600 1,2,3-TRIAZOLE. IT WAS LYS-CYANO-THR AS A STARTING MATERIAL. REMARK 600 REGARDING REMARK 500, CLOSE CONTACT ISSUE, SINCE IT IS REMARK 600 INVOLVED IN UVR, IT SHOULD BE IGNORED IN THIS ENTRY. REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 20037 RELATED DB: BMRB REMARK 900 RELATED ID: 20036 RELATED DB: BMRB REMARK 900 CYCLO[1,4-1,2,3-TRIAZOLE-L-PHE-L-TRP-L-LYS-L-THR] REMARK 900 RELATED ID: 20038 RELATED DB: BMRB REMARK 900 CYCLO[1,4-1,2,3-TRIAZOLE-L-PHE-D-TRP-L-LYS-L-THR] REMARK 900 RELATED ID: 20039 RELATED DB: BMRB REMARK 900 CYCLO[1,4-1,2,3-TRIAZOLE-L-PHE-L-TRP-D-LYS-L-THR] REMARK 900 RELATED ID: 20040 RELATED DB: BMRB REMARK 900 CYCLO[1,4-1,2,3-TRIAZOLE-D-PHE-D-TRP-D-LYS-L-THR] REMARK 900 RELATED ID: 20041 RELATED DB: BMRB REMARK 900 CYCLO[1,4-1,2,3-TRIAZOLE-L-PHE-D-TRP-D-LYS-L-THR] REMARK 900 RELATED ID: 20042 RELATED DB: BMRB REMARK 900 CYCLO[1,4-1,2,3-TRIAZOLE-L-PHE-L-TRP-D-LYS-D-THR] REMARK 900 RELATED ID: 20043 RELATED DB: BMRB REMARK 900 CYCLO[1,4-1,2,3-TRIAZOLE-L-PHE-D-TRP-L-LYS-D-THR] REMARK 999 REMARK 999 SEQUENCE REMARK 999 THESE TWO RESIDUES WERE DESIGNED TO MAKE CYCLIC PEPTIDE. DBREF A 1 4 UNP P61278 SMS_HUMAN 109 112 SEQADV UVR A 1 UNP P61278 PHE 109 SEE REMARK 999 SEQADV UVR A 4 UNP P61278 THR 112 SEE REMARK 999 SEQRES 1 A 4 UVR TRP LYS UVR HET UVR A 1 21 HET UVR A 4 15 FORMUL 1 UVR LINK C UVR A 1 N TRP A 2 1555 1555 1.34 LINK C LYS A 3 N UVR A 4 1555 1555 1.34 LINK NT1 UVR A 1 CT5 UVR A 4 1555 1555 1.33 LINK NT3 UVR A 1 CT4 UVR A 4 1555 1555 1.35 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 MODEL 1 HETATM 1 NT1 UVR A 1 5.671 0.854 -1.607 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.084 1.732 -2.461 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.986 2.066 -3.380 1.00 0.00 N HETATM 4 CA UVR A 1 4.993 0.361 -0.395 1.00 0.00 C HETATM 5 HA UVR A 1 4.898 -0.719 -0.401 1.00 0.00 H HETATM 6 CB UVR A 1 3.613 1.001 -0.218 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.263 1.354 -1.176 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.696 1.838 0.460 1.00 0.00 H HETATM 9 CG UVR A 1 2.582 0.057 0.334 1.00 0.00 C HETATM 10 CD1 UVR A 1 2.413 -1.205 -0.216 1.00 0.00 C HETATM 11 HD1 UVR A 1 3.033 -1.508 -1.047 1.00 0.00 H HETATM 12 CD2 UVR A 1 1.782 0.431 1.402 1.00 0.00 C HETATM 13 HD2 UVR A 1 1.905 1.411 1.839 1.00 0.00 H HETATM 14 CE1 UVR A 1 1.465 -2.075 0.288 1.00 0.00 C HETATM 15 HE1 UVR A 1 1.343 -3.055 -0.149 1.00 0.00 H HETATM 16 CE2 UVR A 1 0.832 -0.435 1.910 1.00 0.00 C HETATM 17 HE2 UVR A 1 0.214 -0.132 2.742 1.00 0.00 H HETATM 18 CZ UVR A 1 0.673 -1.689 1.353 1.00 0.00 C HETATM 19 HZ UVR A 1 -0.069 -2.368 1.748 1.00 0.00 H HETATM 20 C UVR A 1 5.919 0.772 0.772 1.00 0.00 C HETATM 21 O UVR A 1 5.731 1.818 1.391 1.00 0.00 O ATOM 22 N TRP A 2 6.976 -0.028 0.987 1.00 0.00 N ATOM 23 CA TRP A 2 8.009 0.259 1.974 1.00 0.00 C ATOM 24 C TRP A 2 9.309 0.593 1.217 1.00 0.00 C ATOM 25 O TRP A 2 10.315 -0.111 1.312 1.00 0.00 O ATOM 26 CB TRP A 2 8.214 -0.929 2.918 1.00 0.00 C ATOM 27 CG TRP A 2 7.736 -0.659 4.311 1.00 0.00 C ATOM 28 CD1 TRP A 2 6.556 -1.063 4.869 1.00 0.00 C ATOM 29 CD2 TRP A 2 8.426 0.084 5.323 1.00 0.00 C ATOM 30 NE1 TRP A 2 6.472 -0.617 6.166 1.00 0.00 N ATOM 31 CE2 TRP A 2 7.607 0.090 6.468 1.00 0.00 C ATOM 32 CE3 TRP A 2 9.657 0.744 5.371 1.00 0.00 C ATOM 33 CZ2 TRP A 2 7.981 0.731 7.647 1.00 0.00 C ATOM 34 CZ3 TRP A 2 10.027 1.380 6.542 1.00 0.00 C ATOM 35 CH2 TRP A 2 9.191 1.369 7.665 1.00 0.00 C ATOM 36 H TRP A 2 7.093 -0.802 0.425 1.00 0.00 H ATOM 37 HA TRP A 2 7.692 1.115 2.530 1.00 0.00 H ATOM 38 HB2 TRP A 2 7.669 -1.782 2.537 1.00 0.00 H ATOM 39 HB3 TRP A 2 9.266 -1.170 2.965 1.00 0.00 H ATOM 40 HD1 TRP A 2 5.808 -1.646 4.353 1.00 0.00 H ATOM 41 HE1 TRP A 2 5.721 -0.779 6.775 1.00 0.00 H ATOM 42 HE3 TRP A 2 10.315 0.763 4.514 1.00 0.00 H ATOM 43 HZ2 TRP A 2 7.347 0.732 8.522 1.00 0.00 H ATOM 44 HZ3 TRP A 2 10.974 1.896 6.596 1.00 0.00 H ATOM 45 HH2 TRP A 2 9.520 1.880 8.558 1.00 0.00 H ATOM 46 N LYS A 3 9.207 1.653 0.410 1.00 0.00 N ATOM 47 CA LYS A 3 10.253 2.166 -0.498 1.00 0.00 C ATOM 48 C LYS A 3 9.474 2.481 -1.766 1.00 0.00 C ATOM 49 O LYS A 3 8.812 3.516 -1.846 1.00 0.00 O ATOM 50 CB LYS A 3 11.371 1.141 -0.752 1.00 0.00 C ATOM 51 CG LYS A 3 12.308 1.525 -1.888 1.00 0.00 C ATOM 52 CD LYS A 3 13.751 1.640 -1.416 1.00 0.00 C ATOM 53 CE LYS A 3 14.269 0.321 -0.861 1.00 0.00 C ATOM 54 NZ LYS A 3 15.624 0.465 -0.259 1.00 0.00 N ATOM 55 H LYS A 3 8.337 2.102 0.378 1.00 0.00 H ATOM 56 HA LYS A 3 10.656 3.080 -0.083 1.00 0.00 H ATOM 57 HB2 LYS A 3 11.956 1.036 0.149 1.00 0.00 H ATOM 58 HB3 LYS A 3 10.922 0.187 -0.990 1.00 0.00 H ATOM 59 HG2 LYS A 3 12.252 0.770 -2.658 1.00 0.00 H ATOM 60 HG3 LYS A 3 11.995 2.476 -2.292 1.00 0.00 H ATOM 61 HD2 LYS A 3 14.369 1.932 -2.250 1.00 0.00 H ATOM 62 HD3 LYS A 3 13.807 2.393 -0.643 1.00 0.00 H ATOM 63 HE2 LYS A 3 13.585 -0.032 -0.104 1.00 0.00 H ATOM 64 HE3 LYS A 3 14.317 -0.398 -1.666 1.00 0.00 H ATOM 65 HZ1 LYS A 3 15.848 -0.369 0.320 1.00 0.00 H ATOM 66 HZ2 LYS A 3 15.659 1.312 0.344 1.00 0.00 H ATOM 67 HZ3 LYS A 3 16.340 0.558 -1.008 1.00 0.00 H HETATM 68 N UVR A 4 9.374 1.497 -2.663 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.132 1.411 -3.077 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.928 0.654 -1.974 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.652 0.008 -1.498 1.00 0.00 H HETATM 72 HN UVR A 4 9.789 0.644 -2.487 1.00 0.00 H HETATM 73 CA UVR A 4 8.462 1.618 -3.785 1.00 0.00 C HETATM 74 HA UVR A 4 8.538 2.603 -4.193 1.00 0.00 H HETATM 75 CB UVR A 4 8.705 0.540 -4.848 1.00 0.00 C HETATM 76 HB UVR A 4 7.753 0.168 -5.192 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.438 -0.546 -4.308 1.00 0.00 O HETATM 78 HG1 UVR A 4 10.367 -0.310 -4.250 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.461 1.052 -6.056 1.00 0.00 C HETATM 80 HG21 UVR A 4 9.501 2.130 -6.026 1.00 0.00 H HETATM 81 HG22 UVR A 4 8.955 0.735 -6.955 1.00 0.00 H HETATM 82 HG23 UVR A 4 10.465 0.654 -6.049 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 2 HETATM 1 NT1 UVR A 1 5.694 0.887 -1.626 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.103 1.786 -2.455 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.995 2.137 -3.378 1.00 0.00 N HETATM 4 CA UVR A 1 5.027 0.368 -0.422 1.00 0.00 C HETATM 5 HA UVR A 1 4.940 -0.711 -0.450 1.00 0.00 H HETATM 6 CB UVR A 1 3.639 0.990 -0.237 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.208 1.187 -1.208 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.738 1.920 0.303 1.00 0.00 H HETATM 9 CG UVR A 1 2.687 0.114 0.525 1.00 0.00 C HETATM 10 CD1 UVR A 1 2.433 -1.182 0.107 1.00 0.00 C HETATM 11 HD1 UVR A 1 2.926 -1.562 -0.775 1.00 0.00 H HETATM 12 CD2 UVR A 1 2.047 0.586 1.659 1.00 0.00 C HETATM 13 HD2 UVR A 1 2.237 1.595 1.993 1.00 0.00 H HETATM 14 CE1 UVR A 1 1.557 -1.992 0.806 1.00 0.00 C HETATM 15 HE1 UVR A 1 1.367 -3.000 0.471 1.00 0.00 H HETATM 16 CE2 UVR A 1 1.170 -0.217 2.362 1.00 0.00 C HETATM 17 HE2 UVR A 1 0.677 0.163 3.245 1.00 0.00 H HETATM 18 CZ UVR A 1 0.925 -1.508 1.936 1.00 0.00 C HETATM 19 HZ UVR A 1 0.241 -2.138 2.485 1.00 0.00 H HETATM 20 C UVR A 1 5.936 0.761 0.769 1.00 0.00 C HETATM 21 O UVR A 1 5.705 1.776 1.428 1.00 0.00 O ATOM 22 N TRP A 2 7.009 -0.022 0.987 1.00 0.00 N ATOM 23 CA TRP A 2 8.004 0.251 2.024 1.00 0.00 C ATOM 24 C TRP A 2 9.325 0.699 1.361 1.00 0.00 C ATOM 25 O TRP A 2 10.416 0.277 1.739 1.00 0.00 O ATOM 26 CB TRP A 2 8.234 -0.987 2.892 1.00 0.00 C ATOM 27 CG TRP A 2 7.458 -0.968 4.173 1.00 0.00 C ATOM 28 CD1 TRP A 2 7.760 -0.267 5.303 1.00 0.00 C ATOM 29 CD2 TRP A 2 6.250 -1.684 4.455 1.00 0.00 C ATOM 30 NE1 TRP A 2 6.814 -0.502 6.272 1.00 0.00 N ATOM 31 CE2 TRP A 2 5.876 -1.369 5.775 1.00 0.00 C ATOM 32 CE3 TRP A 2 5.447 -2.561 3.719 1.00 0.00 C ATOM 33 CZ2 TRP A 2 4.736 -1.900 6.374 1.00 0.00 C ATOM 34 CZ3 TRP A 2 4.316 -3.086 4.314 1.00 0.00 C ATOM 35 CH2 TRP A 2 3.970 -2.754 5.629 1.00 0.00 C ATOM 36 H TRP A 2 7.155 -0.781 0.412 1.00 0.00 H ATOM 37 HA TRP A 2 7.623 1.047 2.626 1.00 0.00 H ATOM 38 HB2 TRP A 2 7.942 -1.867 2.339 1.00 0.00 H ATOM 39 HB3 TRP A 2 9.285 -1.054 3.139 1.00 0.00 H ATOM 40 HD1 TRP A 2 8.622 0.376 5.408 1.00 0.00 H ATOM 41 HE1 TRP A 2 6.812 -0.112 7.171 1.00 0.00 H ATOM 42 HE3 TRP A 2 5.699 -2.828 2.703 1.00 0.00 H ATOM 43 HZ2 TRP A 2 4.456 -1.652 7.387 1.00 0.00 H ATOM 44 HZ3 TRP A 2 3.684 -3.765 3.761 1.00 0.00 H ATOM 45 HH2 TRP A 2 3.077 -3.190 6.055 1.00 0.00 H ATOM 46 N LYS A 3 9.157 1.535 0.342 1.00 0.00 N ATOM 47 CA LYS A 3 10.220 2.106 -0.512 1.00 0.00 C ATOM 48 C LYS A 3 9.469 2.474 -1.777 1.00 0.00 C ATOM 49 O LYS A 3 8.817 3.518 -1.830 1.00 0.00 O ATOM 50 CB LYS A 3 11.351 1.103 -0.787 1.00 0.00 C ATOM 51 CG LYS A 3 12.703 1.561 -0.264 1.00 0.00 C ATOM 52 CD LYS A 3 13.025 0.934 1.083 1.00 0.00 C ATOM 53 CE LYS A 3 12.618 1.841 2.232 1.00 0.00 C ATOM 54 NZ LYS A 3 12.727 1.153 3.548 1.00 0.00 N ATOM 55 H LYS A 3 8.234 1.780 0.122 1.00 0.00 H ATOM 56 HA LYS A 3 10.604 2.999 -0.040 1.00 0.00 H ATOM 57 HB2 LYS A 3 11.107 0.161 -0.321 1.00 0.00 H ATOM 58 HB3 LYS A 3 11.438 0.956 -1.853 1.00 0.00 H ATOM 59 HG2 LYS A 3 13.467 1.276 -0.972 1.00 0.00 H ATOM 60 HG3 LYS A 3 12.691 2.635 -0.157 1.00 0.00 H ATOM 61 HD2 LYS A 3 12.493 0.000 1.169 1.00 0.00 H ATOM 62 HD3 LYS A 3 14.088 0.752 1.138 1.00 0.00 H ATOM 63 HE2 LYS A 3 13.262 2.708 2.236 1.00 0.00 H ATOM 64 HE3 LYS A 3 11.594 2.155 2.083 1.00 0.00 H ATOM 65 HZ1 LYS A 3 11.973 0.444 3.644 1.00 0.00 H ATOM 66 HZ2 LYS A 3 12.638 1.844 4.321 1.00 0.00 H ATOM 67 HZ3 LYS A 3 13.649 0.678 3.628 1.00 0.00 H HETATM 68 N UVR A 4 9.366 1.517 -2.702 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.139 1.467 -3.104 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.942 0.688 -2.011 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.664 0.025 -1.553 1.00 0.00 H HETATM 72 HN UVR A 4 9.761 0.652 -2.544 1.00 0.00 H HETATM 73 CA UVR A 4 8.465 1.681 -3.817 1.00 0.00 C HETATM 74 HA UVR A 4 8.553 2.680 -4.197 1.00 0.00 H HETATM 75 CB UVR A 4 8.695 0.625 -4.905 1.00 0.00 C HETATM 76 HB UVR A 4 7.771 0.468 -5.442 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.089 -0.610 -4.331 1.00 0.00 O HETATM 78 HG1 UVR A 4 10.011 -0.563 -4.067 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.753 1.026 -5.912 1.00 0.00 C HETATM 80 HG21 UVR A 4 10.732 0.901 -5.474 1.00 0.00 H HETATM 81 HG22 UVR A 4 9.612 2.060 -6.190 1.00 0.00 H HETATM 82 HG23 UVR A 4 9.669 0.402 -6.789 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 3 HETATM 1 NT1 UVR A 1 5.690 0.865 -1.620 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.094 1.732 -2.480 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.990 2.070 -3.403 1.00 0.00 N HETATM 4 CA UVR A 1 5.017 0.371 -0.407 1.00 0.00 C HETATM 5 HA UVR A 1 4.919 -0.708 -0.416 1.00 0.00 H HETATM 6 CB UVR A 1 3.639 1.015 -0.228 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.754 2.088 -0.190 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.206 0.671 0.700 1.00 0.00 H HETATM 9 CG UVR A 1 2.676 0.690 -1.335 1.00 0.00 C HETATM 10 CD1 UVR A 1 2.491 -0.620 -1.747 1.00 0.00 C HETATM 11 HD1 UVR A 1 3.046 -1.411 -1.264 1.00 0.00 H HETATM 12 CD2 UVR A 1 1.958 1.695 -1.963 1.00 0.00 C HETATM 13 HD2 UVR A 1 2.096 2.719 -1.649 1.00 0.00 H HETATM 14 CE1 UVR A 1 1.606 -0.921 -2.765 1.00 0.00 C HETATM 15 HE1 UVR A 1 1.470 -1.946 -3.077 1.00 0.00 H HETATM 16 CE2 UVR A 1 1.072 1.399 -2.981 1.00 0.00 C HETATM 17 HE2 UVR A 1 0.518 2.191 -3.463 1.00 0.00 H HETATM 18 CZ UVR A 1 0.896 0.089 -3.383 1.00 0.00 C HETATM 19 HZ UVR A 1 0.204 -0.144 -4.179 1.00 0.00 H HETATM 20 C UVR A 1 5.939 0.775 0.768 1.00 0.00 C HETATM 21 O UVR A 1 5.748 1.819 1.390 1.00 0.00 O ATOM 22 N TRP A 2 6.990 -0.031 0.996 1.00 0.00 N ATOM 23 CA TRP A 2 8.011 0.247 2.002 1.00 0.00 C ATOM 24 C TRP A 2 9.316 0.623 1.272 1.00 0.00 C ATOM 25 O TRP A 2 10.364 0.005 1.458 1.00 0.00 O ATOM 26 CB TRP A 2 8.230 -0.967 2.907 1.00 0.00 C ATOM 27 CG TRP A 2 9.310 -0.765 3.924 1.00 0.00 C ATOM 28 CD1 TRP A 2 9.219 -0.053 5.085 1.00 0.00 C ATOM 29 CD2 TRP A 2 10.646 -1.280 3.872 1.00 0.00 C ATOM 30 NE1 TRP A 2 10.416 -0.093 5.758 1.00 0.00 N ATOM 31 CE2 TRP A 2 11.308 -0.840 5.034 1.00 0.00 C ATOM 32 CE3 TRP A 2 11.346 -2.071 2.957 1.00 0.00 C ATOM 33 CZ2 TRP A 2 12.635 -1.166 5.304 1.00 0.00 C ATOM 34 CZ3 TRP A 2 12.662 -2.393 3.226 1.00 0.00 C ATOM 35 CH2 TRP A 2 13.295 -1.942 4.390 1.00 0.00 C ATOM 36 H TRP A 2 7.110 -0.807 0.436 1.00 0.00 H ATOM 37 HA TRP A 2 7.673 1.078 2.581 1.00 0.00 H ATOM 38 HB2 TRP A 2 7.313 -1.184 3.435 1.00 0.00 H ATOM 39 HB3 TRP A 2 8.498 -1.819 2.298 1.00 0.00 H ATOM 40 HD1 TRP A 2 8.328 0.463 5.412 1.00 0.00 H ATOM 41 HE1 TRP A 2 10.601 0.342 6.617 1.00 0.00 H ATOM 42 HE3 TRP A 2 10.874 -2.429 2.053 1.00 0.00 H ATOM 43 HZ2 TRP A 2 13.137 -0.826 6.197 1.00 0.00 H ATOM 44 HZ3 TRP A 2 13.219 -3.003 2.529 1.00 0.00 H ATOM 45 HH2 TRP A 2 14.326 -2.217 4.558 1.00 0.00 H ATOM 46 N LYS A 3 9.175 1.616 0.394 1.00 0.00 N ATOM 47 CA LYS A 3 10.224 2.145 -0.503 1.00 0.00 C ATOM 48 C LYS A 3 9.451 2.472 -1.767 1.00 0.00 C ATOM 49 O LYS A 3 8.763 3.492 -1.823 1.00 0.00 O ATOM 50 CB LYS A 3 11.336 1.119 -0.771 1.00 0.00 C ATOM 51 CG LYS A 3 12.509 1.227 0.192 1.00 0.00 C ATOM 52 CD LYS A 3 13.839 1.222 -0.544 1.00 0.00 C ATOM 53 CE LYS A 3 14.232 -0.182 -0.977 1.00 0.00 C ATOM 54 NZ LYS A 3 15.241 -0.785 -0.062 1.00 0.00 N ATOM 55 H LYS A 3 8.279 2.001 0.302 1.00 0.00 H ATOM 56 HA LYS A 3 10.628 3.052 -0.074 1.00 0.00 H ATOM 57 HB2 LYS A 3 10.921 0.126 -0.690 1.00 0.00 H ATOM 58 HB3 LYS A 3 11.707 1.265 -1.775 1.00 0.00 H ATOM 59 HG2 LYS A 3 12.421 2.148 0.750 1.00 0.00 H ATOM 60 HG3 LYS A 3 12.481 0.388 0.873 1.00 0.00 H ATOM 61 HD2 LYS A 3 13.758 1.847 -1.420 1.00 0.00 H ATOM 62 HD3 LYS A 3 14.604 1.613 0.111 1.00 0.00 H ATOM 63 HE2 LYS A 3 13.348 -0.804 -0.983 1.00 0.00 H ATOM 64 HE3 LYS A 3 14.643 -0.136 -1.975 1.00 0.00 H ATOM 65 HZ1 LYS A 3 15.199 -0.325 0.870 1.00 0.00 H ATOM 66 HZ2 LYS A 3 16.196 -0.662 -0.454 1.00 0.00 H ATOM 67 HZ3 LYS A 3 15.055 -1.801 0.055 1.00 0.00 H HETATM 68 N UVR A 4 9.381 1.509 -2.692 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.143 1.427 -3.099 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.947 0.675 -1.988 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.678 0.039 -1.507 1.00 0.00 H HETATM 72 HN UVR A 4 9.814 0.660 -2.537 1.00 0.00 H HETATM 73 CA UVR A 4 8.472 1.641 -3.809 1.00 0.00 C HETATM 74 HA UVR A 4 8.550 2.633 -4.209 1.00 0.00 H HETATM 75 CB UVR A 4 8.715 0.570 -4.877 1.00 0.00 C HETATM 76 HB UVR A 4 7.793 0.391 -5.411 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.126 -0.650 -4.283 1.00 0.00 O HETATM 78 HG1 UVR A 4 10.050 -0.590 -4.028 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.767 0.966 -5.893 1.00 0.00 C HETATM 80 HG21 UVR A 4 9.308 1.548 -6.678 1.00 0.00 H HETATM 81 HG22 UVR A 4 10.210 0.076 -6.317 1.00 0.00 H HETATM 82 HG23 UVR A 4 10.531 1.554 -5.408 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 4 HETATM 1 NT1 UVR A 1 5.695 0.887 -1.625 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.104 1.785 -2.457 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.997 2.132 -3.380 1.00 0.00 N HETATM 4 CA UVR A 1 5.025 0.371 -0.421 1.00 0.00 C HETATM 5 HA UVR A 1 4.934 -0.708 -0.447 1.00 0.00 H HETATM 6 CB UVR A 1 3.639 0.998 -0.240 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.666 2.020 -0.588 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.379 0.986 0.808 1.00 0.00 H HETATM 9 CG UVR A 1 2.554 0.282 -0.993 1.00 0.00 C HETATM 10 CD1 UVR A 1 2.049 0.807 -2.172 1.00 0.00 C HETATM 11 HD1 UVR A 1 2.442 1.739 -2.549 1.00 0.00 H HETATM 12 CD2 UVR A 1 2.041 -0.916 -0.522 1.00 0.00 C HETATM 13 HD2 UVR A 1 2.427 -1.333 0.395 1.00 0.00 H HETATM 14 CE1 UVR A 1 1.052 0.149 -2.868 1.00 0.00 C HETATM 15 HE1 UVR A 1 0.666 0.568 -3.786 1.00 0.00 H HETATM 16 CE2 UVR A 1 1.044 -1.577 -1.213 1.00 0.00 C HETATM 17 HE2 UVR A 1 0.652 -2.511 -0.836 1.00 0.00 H HETATM 18 CZ UVR A 1 0.549 -1.045 -2.387 1.00 0.00 C HETATM 19 HZ UVR A 1 -0.231 -1.561 -2.930 1.00 0.00 H HETATM 20 C UVR A 1 5.935 0.762 0.771 1.00 0.00 C HETATM 21 O UVR A 1 5.703 1.773 1.433 1.00 0.00 O ATOM 22 N TRP A 2 7.008 -0.023 0.985 1.00 0.00 N ATOM 23 CA TRP A 2 8.004 0.247 2.021 1.00 0.00 C ATOM 24 C TRP A 2 9.325 0.695 1.358 1.00 0.00 C ATOM 25 O TRP A 2 10.417 0.269 1.732 1.00 0.00 O ATOM 26 CB TRP A 2 8.236 -0.996 2.885 1.00 0.00 C ATOM 27 CG TRP A 2 7.512 -0.953 4.196 1.00 0.00 C ATOM 28 CD1 TRP A 2 7.887 -0.272 5.318 1.00 0.00 C ATOM 29 CD2 TRP A 2 6.287 -1.621 4.523 1.00 0.00 C ATOM 30 NE1 TRP A 2 6.972 -0.475 6.322 1.00 0.00 N ATOM 31 CE2 TRP A 2 5.980 -1.300 5.859 1.00 0.00 C ATOM 32 CE3 TRP A 2 5.421 -2.459 3.816 1.00 0.00 C ATOM 33 CZ2 TRP A 2 4.844 -1.787 6.500 1.00 0.00 C ATOM 34 CZ3 TRP A 2 4.293 -2.942 4.453 1.00 0.00 C ATOM 35 CH2 TRP A 2 4.013 -2.605 5.783 1.00 0.00 C ATOM 36 H TRP A 2 7.153 -0.780 0.407 1.00 0.00 H ATOM 37 HA TRP A 2 7.626 1.041 2.627 1.00 0.00 H ATOM 38 HB2 TRP A 2 7.897 -1.868 2.347 1.00 0.00 H ATOM 39 HB3 TRP A 2 9.292 -1.093 3.089 1.00 0.00 H ATOM 40 HD1 TRP A 2 8.778 0.335 5.391 1.00 0.00 H ATOM 41 HE1 TRP A 2 7.021 -0.091 7.223 1.00 0.00 H ATOM 42 HE3 TRP A 2 5.620 -2.730 2.789 1.00 0.00 H ATOM 43 HZ2 TRP A 2 4.614 -1.536 7.525 1.00 0.00 H ATOM 44 HZ3 TRP A 2 3.613 -3.592 3.922 1.00 0.00 H ATOM 45 HH2 TRP A 2 3.121 -3.007 6.241 1.00 0.00 H ATOM 46 N LYS A 3 9.158 1.539 0.344 1.00 0.00 N ATOM 47 CA LYS A 3 10.220 2.112 -0.510 1.00 0.00 C ATOM 48 C LYS A 3 9.469 2.475 -1.779 1.00 0.00 C ATOM 49 O LYS A 3 8.819 3.519 -1.836 1.00 0.00 O ATOM 50 CB LYS A 3 11.358 1.115 -0.782 1.00 0.00 C ATOM 51 CG LYS A 3 12.725 1.618 -0.340 1.00 0.00 C ATOM 52 CD LYS A 3 12.927 1.462 1.158 1.00 0.00 C ATOM 53 CE LYS A 3 12.174 2.530 1.938 1.00 0.00 C ATOM 54 NZ LYS A 3 12.473 2.469 3.395 1.00 0.00 N ATOM 55 H LYS A 3 8.234 1.786 0.126 1.00 0.00 H ATOM 56 HA LYS A 3 10.598 3.010 -0.042 1.00 0.00 H ATOM 57 HB2 LYS A 3 11.152 0.194 -0.261 1.00 0.00 H ATOM 58 HB3 LYS A 3 11.405 0.915 -1.841 1.00 0.00 H ATOM 59 HG2 LYS A 3 13.488 1.055 -0.854 1.00 0.00 H ATOM 60 HG3 LYS A 3 12.812 2.664 -0.599 1.00 0.00 H ATOM 61 HD2 LYS A 3 12.571 0.489 1.461 1.00 0.00 H ATOM 62 HD3 LYS A 3 13.981 1.546 1.379 1.00 0.00 H ATOM 63 HE2 LYS A 3 12.460 3.501 1.561 1.00 0.00 H ATOM 64 HE3 LYS A 3 11.114 2.384 1.791 1.00 0.00 H ATOM 65 HZ1 LYS A 3 12.804 1.517 3.653 1.00 0.00 H ATOM 66 HZ2 LYS A 3 11.618 2.686 3.946 1.00 0.00 H ATOM 67 HZ3 LYS A 3 13.212 3.158 3.637 1.00 0.00 H HETATM 68 N UVR A 4 9.366 1.516 -2.699 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.141 1.463 -3.103 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.942 0.686 -2.009 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.665 0.024 -1.548 1.00 0.00 H HETATM 72 HN UVR A 4 9.761 0.650 -2.538 1.00 0.00 H HETATM 73 CA UVR A 4 8.466 1.675 -3.817 1.00 0.00 C HETATM 74 HA UVR A 4 8.555 2.673 -4.198 1.00 0.00 H HETATM 75 CB UVR A 4 8.697 0.617 -4.900 1.00 0.00 C HETATM 76 HB UVR A 4 7.774 0.460 -5.439 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.090 -0.617 -4.324 1.00 0.00 O HETATM 78 HG1 UVR A 4 10.011 -0.570 -4.057 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.757 1.014 -5.907 1.00 0.00 C HETATM 80 HG21 UVR A 4 9.367 1.783 -6.557 1.00 0.00 H HETATM 81 HG22 UVR A 4 10.034 0.152 -6.497 1.00 0.00 H HETATM 82 HG23 UVR A 4 10.626 1.388 -5.387 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 5 HETATM 1 NT1 UVR A 1 5.688 0.860 -1.621 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.090 1.717 -2.489 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.988 2.053 -3.412 1.00 0.00 N HETATM 4 CA UVR A 1 5.014 0.372 -0.405 1.00 0.00 C HETATM 5 HA UVR A 1 4.910 -0.706 -0.411 1.00 0.00 H HETATM 6 CB UVR A 1 3.639 1.024 -0.226 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.650 2.001 -0.689 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.435 1.135 0.828 1.00 0.00 H HETATM 9 CG UVR A 1 2.515 0.234 -0.834 1.00 0.00 C HETATM 10 CD1 UVR A 1 2.269 -1.069 -0.432 1.00 0.00 C HETATM 11 HD1 UVR A 1 2.894 -1.516 0.327 1.00 0.00 H HETATM 12 CD2 UVR A 1 1.704 0.796 -1.807 1.00 0.00 C HETATM 13 HD2 UVR A 1 1.887 1.811 -2.128 1.00 0.00 H HETATM 14 CE1 UVR A 1 1.235 -1.797 -0.990 1.00 0.00 C HETATM 15 HE1 UVR A 1 1.054 -2.812 -0.668 1.00 0.00 H HETATM 16 CE2 UVR A 1 0.669 0.072 -2.369 1.00 0.00 C HETATM 17 HE2 UVR A 1 0.045 0.522 -3.127 1.00 0.00 H HETATM 18 CZ UVR A 1 0.434 -1.226 -1.959 1.00 0.00 C HETATM 19 HZ UVR A 1 -0.374 -1.793 -2.396 1.00 0.00 H HETATM 20 C UVR A 1 5.939 0.776 0.767 1.00 0.00 C HETATM 21 O UVR A 1 5.752 1.824 1.387 1.00 0.00 O ATOM 22 N TRP A 2 6.988 -0.033 0.996 1.00 0.00 N ATOM 23 CA TRP A 2 8.012 0.247 1.999 1.00 0.00 C ATOM 24 C TRP A 2 9.315 0.618 1.263 1.00 0.00 C ATOM 25 O TRP A 2 10.356 -0.017 1.428 1.00 0.00 O ATOM 26 CB TRP A 2 8.228 -0.966 2.911 1.00 0.00 C ATOM 27 CG TRP A 2 9.373 -0.802 3.863 1.00 0.00 C ATOM 28 CD1 TRP A 2 9.389 -0.048 5.000 1.00 0.00 C ATOM 29 CD2 TRP A 2 10.668 -1.406 3.762 1.00 0.00 C ATOM 30 NE1 TRP A 2 10.616 -0.144 5.612 1.00 0.00 N ATOM 31 CE2 TRP A 2 11.418 -0.972 4.871 1.00 0.00 C ATOM 32 CE3 TRP A 2 11.266 -2.271 2.840 1.00 0.00 C ATOM 33 CZ2 TRP A 2 12.735 -1.374 5.082 1.00 0.00 C ATOM 34 CZ3 TRP A 2 12.572 -2.668 3.051 1.00 0.00 C ATOM 35 CH2 TRP A 2 13.295 -2.221 4.165 1.00 0.00 C ATOM 36 H TRP A 2 7.103 -0.810 0.438 1.00 0.00 H ATOM 37 HA TRP A 2 7.677 1.081 2.574 1.00 0.00 H ATOM 38 HB2 TRP A 2 7.334 -1.132 3.494 1.00 0.00 H ATOM 39 HB3 TRP A 2 8.421 -1.836 2.301 1.00 0.00 H ATOM 40 HD1 TRP A 2 8.552 0.533 5.353 1.00 0.00 H ATOM 41 HE1 TRP A 2 10.874 0.307 6.444 1.00 0.00 H ATOM 42 HE3 TRP A 2 10.725 -2.627 1.976 1.00 0.00 H ATOM 43 HZ2 TRP A 2 13.306 -1.038 5.936 1.00 0.00 H ATOM 44 HZ3 TRP A 2 13.051 -3.336 2.350 1.00 0.00 H ATOM 45 HH2 TRP A 2 14.313 -2.557 4.289 1.00 0.00 H ATOM 46 N LYS A 3 9.179 1.623 0.397 1.00 0.00 N ATOM 47 CA LYS A 3 10.225 2.150 -0.502 1.00 0.00 C ATOM 48 C LYS A 3 9.450 2.473 -1.767 1.00 0.00 C ATOM 49 O LYS A 3 8.762 3.493 -1.826 1.00 0.00 O ATOM 50 CB LYS A 3 11.338 1.126 -0.770 1.00 0.00 C ATOM 51 CG LYS A 3 12.487 1.203 0.221 1.00 0.00 C ATOM 52 CD LYS A 3 13.610 2.088 -0.295 1.00 0.00 C ATOM 53 CE LYS A 3 14.737 2.205 0.718 1.00 0.00 C ATOM 54 NZ LYS A 3 15.464 3.498 0.596 1.00 0.00 N ATOM 55 H LYS A 3 8.285 2.020 0.317 1.00 0.00 H ATOM 56 HA LYS A 3 10.630 3.059 -0.077 1.00 0.00 H ATOM 57 HB2 LYS A 3 10.917 0.132 -0.722 1.00 0.00 H ATOM 58 HB3 LYS A 3 11.734 1.292 -1.760 1.00 0.00 H ATOM 59 HG2 LYS A 3 12.121 1.611 1.152 1.00 0.00 H ATOM 60 HG3 LYS A 3 12.873 0.208 0.389 1.00 0.00 H ATOM 61 HD2 LYS A 3 14.002 1.661 -1.206 1.00 0.00 H ATOM 62 HD3 LYS A 3 13.215 3.073 -0.497 1.00 0.00 H ATOM 63 HE2 LYS A 3 14.320 2.128 1.711 1.00 0.00 H ATOM 64 HE3 LYS A 3 15.433 1.394 0.558 1.00 0.00 H ATOM 65 HZ1 LYS A 3 16.047 3.663 1.442 1.00 0.00 H ATOM 66 HZ2 LYS A 3 14.787 4.282 0.500 1.00 0.00 H ATOM 67 HZ3 LYS A 3 16.081 3.484 -0.240 1.00 0.00 H HETATM 68 N UVR A 4 9.381 1.509 -2.688 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.143 1.419 -3.099 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.949 0.675 -1.983 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.681 0.047 -1.495 1.00 0.00 H HETATM 72 HN UVR A 4 9.815 0.659 -2.531 1.00 0.00 H HETATM 73 CA UVR A 4 8.473 1.635 -3.807 1.00 0.00 C HETATM 74 HA UVR A 4 8.550 2.627 -4.209 1.00 0.00 H HETATM 75 CB UVR A 4 8.724 0.561 -4.870 1.00 0.00 C HETATM 76 HB UVR A 4 7.809 0.386 -5.415 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.123 -0.656 -4.266 1.00 0.00 O HETATM 78 HG1 UVR A 4 8.942 -1.384 -4.865 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.793 0.950 -5.869 1.00 0.00 C HETATM 80 HG21 UVR A 4 9.574 1.930 -6.267 1.00 0.00 H HETATM 81 HG22 UVR A 4 9.810 0.231 -6.675 1.00 0.00 H HETATM 82 HG23 UVR A 4 10.755 0.966 -5.380 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 6 HETATM 1 NT1 UVR A 1 5.693 0.865 -1.623 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.088 1.725 -2.486 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.982 2.070 -3.408 1.00 0.00 N HETATM 4 CA UVR A 1 5.022 0.360 -0.414 1.00 0.00 C HETATM 5 HA UVR A 1 4.938 -0.720 -0.428 1.00 0.00 H HETATM 6 CB UVR A 1 3.632 0.981 -0.245 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.730 2.056 -0.195 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.193 0.622 0.674 1.00 0.00 H HETATM 9 CG UVR A 1 2.683 0.654 -1.367 1.00 0.00 C HETATM 10 CD1 UVR A 1 2.747 -0.571 -2.015 1.00 0.00 C HETATM 11 HD1 UVR A 1 3.488 -1.295 -1.708 1.00 0.00 H HETATM 12 CD2 UVR A 1 1.729 1.572 -1.774 1.00 0.00 C HETATM 13 HD2 UVR A 1 1.669 2.529 -1.279 1.00 0.00 H HETATM 14 CE1 UVR A 1 1.877 -0.873 -3.045 1.00 0.00 C HETATM 15 HE1 UVR A 1 1.939 -1.831 -3.541 1.00 0.00 H HETATM 16 CE2 UVR A 1 0.855 1.275 -2.805 1.00 0.00 C HETATM 17 HE2 UVR A 1 0.115 1.999 -3.113 1.00 0.00 H HETATM 18 CZ UVR A 1 0.930 0.051 -3.441 1.00 0.00 C HETATM 19 HZ UVR A 1 0.248 -0.184 -4.246 1.00 0.00 H HETATM 20 C UVR A 1 5.931 0.768 0.772 1.00 0.00 C HETATM 21 O UVR A 1 5.712 1.797 1.412 1.00 0.00 O ATOM 22 N TRP A 2 6.997 -0.020 0.993 1.00 0.00 N ATOM 23 CA TRP A 2 8.007 0.256 2.010 1.00 0.00 C ATOM 24 C TRP A 2 9.321 0.636 1.296 1.00 0.00 C ATOM 25 O TRP A 2 10.377 0.044 1.518 1.00 0.00 O ATOM 26 CB TRP A 2 8.212 -0.963 2.914 1.00 0.00 C ATOM 27 CG TRP A 2 9.311 -0.792 3.915 1.00 0.00 C ATOM 28 CD1 TRP A 2 9.265 -0.052 5.061 1.00 0.00 C ATOM 29 CD2 TRP A 2 10.616 -1.376 3.863 1.00 0.00 C ATOM 30 NE1 TRP A 2 10.465 -0.140 5.726 1.00 0.00 N ATOM 31 CE2 TRP A 2 11.311 -0.947 5.011 1.00 0.00 C ATOM 32 CE3 TRP A 2 11.266 -2.221 2.959 1.00 0.00 C ATOM 33 CZ2 TRP A 2 12.622 -1.335 5.275 1.00 0.00 C ATOM 34 CZ3 TRP A 2 12.567 -2.605 3.223 1.00 0.00 C ATOM 35 CH2 TRP A 2 13.232 -2.162 4.373 1.00 0.00 C ATOM 36 H TRP A 2 7.133 -0.785 0.421 1.00 0.00 H ATOM 37 HA TRP A 2 7.663 1.086 2.588 1.00 0.00 H ATOM 38 HB2 TRP A 2 7.298 -1.155 3.456 1.00 0.00 H ATOM 39 HB3 TRP A 2 8.448 -1.820 2.301 1.00 0.00 H ATOM 40 HD1 TRP A 2 8.405 0.515 5.385 1.00 0.00 H ATOM 41 HE1 TRP A 2 10.679 0.303 6.574 1.00 0.00 H ATOM 42 HE3 TRP A 2 10.769 -2.573 2.067 1.00 0.00 H ATOM 43 HZ2 TRP A 2 13.149 -1.003 6.158 1.00 0.00 H ATOM 44 HZ3 TRP A 2 13.085 -3.256 2.535 1.00 0.00 H ATOM 45 HH2 TRP A 2 14.249 -2.487 4.539 1.00 0.00 H ATOM 46 N LYS A 3 9.175 1.600 0.388 1.00 0.00 N ATOM 47 CA LYS A 3 10.226 2.129 -0.503 1.00 0.00 C ATOM 48 C LYS A 3 9.451 2.466 -1.767 1.00 0.00 C ATOM 49 O LYS A 3 8.756 3.483 -1.809 1.00 0.00 O ATOM 50 CB LYS A 3 11.333 1.098 -0.768 1.00 0.00 C ATOM 51 CG LYS A 3 12.299 1.512 -1.866 1.00 0.00 C ATOM 52 CD LYS A 3 13.388 2.432 -1.335 1.00 0.00 C ATOM 53 CE LYS A 3 14.775 1.896 -1.653 1.00 0.00 C ATOM 54 NZ LYS A 3 14.938 0.482 -1.218 1.00 0.00 N ATOM 55 H LYS A 3 8.271 1.962 0.270 1.00 0.00 H ATOM 56 HA LYS A 3 10.633 3.032 -0.071 1.00 0.00 H ATOM 57 HB2 LYS A 3 11.897 0.953 0.142 1.00 0.00 H ATOM 58 HB3 LYS A 3 10.878 0.160 -1.050 1.00 0.00 H ATOM 59 HG2 LYS A 3 12.758 0.627 -2.279 1.00 0.00 H ATOM 60 HG3 LYS A 3 11.749 2.028 -2.640 1.00 0.00 H ATOM 61 HD2 LYS A 3 13.277 3.405 -1.790 1.00 0.00 H ATOM 62 HD3 LYS A 3 13.283 2.519 -0.264 1.00 0.00 H ATOM 63 HE2 LYS A 3 14.935 1.956 -2.719 1.00 0.00 H ATOM 64 HE3 LYS A 3 15.508 2.508 -1.145 1.00 0.00 H ATOM 65 HZ1 LYS A 3 14.780 -0.159 -2.021 1.00 0.00 H ATOM 66 HZ2 LYS A 3 14.255 0.258 -0.468 1.00 0.00 H ATOM 67 HZ3 LYS A 3 15.901 0.330 -0.851 1.00 0.00 H HETATM 68 N UVR A 4 9.383 1.515 -2.705 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.140 1.440 -3.101 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.951 0.689 -1.989 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.688 0.060 -1.507 1.00 0.00 H HETATM 72 HN UVR A 4 9.817 0.665 -2.563 1.00 0.00 H HETATM 73 CA UVR A 4 8.465 1.661 -3.817 1.00 0.00 C HETATM 74 HA UVR A 4 8.539 2.652 -4.208 1.00 0.00 H HETATM 75 CB UVR A 4 8.695 0.607 -4.902 1.00 0.00 C HETATM 76 HB UVR A 4 7.757 0.125 -5.119 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.613 -0.378 -4.462 1.00 0.00 O HETATM 78 HG1 UVR A 4 10.498 -0.006 -4.441 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.224 1.182 -6.197 1.00 0.00 C HETATM 80 HG21 UVR A 4 8.522 0.977 -6.994 1.00 0.00 H HETATM 81 HG22 UVR A 4 10.175 0.730 -6.430 1.00 0.00 H HETATM 82 HG23 UVR A 4 9.347 2.250 -6.094 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 7 HETATM 1 NT1 UVR A 1 5.680 0.857 -1.613 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.091 1.726 -2.475 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.993 2.057 -3.396 1.00 0.00 N HETATM 4 CA UVR A 1 5.001 0.373 -0.399 1.00 0.00 C HETATM 5 HA UVR A 1 4.893 -0.705 -0.402 1.00 0.00 H HETATM 6 CB UVR A 1 3.629 1.031 -0.223 1.00 0.00 C HETATM 7 HB1 UVR A 1 2.995 0.751 -1.051 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.750 2.103 -0.216 1.00 0.00 H HETATM 9 CG UVR A 1 2.932 0.638 1.048 1.00 0.00 C HETATM 10 CD1 UVR A 1 2.344 1.598 1.856 1.00 0.00 C HETATM 11 HD1 UVR A 1 2.390 2.637 1.565 1.00 0.00 H HETATM 12 CD2 UVR A 1 2.864 -0.691 1.434 1.00 0.00 C HETATM 13 HD2 UVR A 1 3.319 -1.447 0.813 1.00 0.00 H HETATM 14 CE1 UVR A 1 1.701 1.240 3.026 1.00 0.00 C HETATM 15 HE1 UVR A 1 1.246 1.997 3.647 1.00 0.00 H HETATM 16 CE2 UVR A 1 2.222 -1.055 2.603 1.00 0.00 C HETATM 17 HE2 UVR A 1 2.177 -2.094 2.893 1.00 0.00 H HETATM 18 CZ UVR A 1 1.640 -0.089 3.400 1.00 0.00 C HETATM 19 HZ UVR A 1 1.138 -0.371 4.313 1.00 0.00 H HETATM 20 C UVR A 1 5.931 0.776 0.770 1.00 0.00 C HETATM 21 O UVR A 1 5.749 1.825 1.389 1.00 0.00 O ATOM 22 N TRP A 2 6.981 -0.032 0.991 1.00 0.00 N ATOM 23 CA TRP A 2 8.013 0.246 1.983 1.00 0.00 C ATOM 24 C TRP A 2 9.313 0.600 1.228 1.00 0.00 C ATOM 25 O TRP A 2 10.331 -0.082 1.337 1.00 0.00 O ATOM 26 CB TRP A 2 8.225 -0.958 2.908 1.00 0.00 C ATOM 27 CG TRP A 2 9.438 -0.841 3.782 1.00 0.00 C ATOM 28 CD1 TRP A 2 10.618 -1.514 3.645 1.00 0.00 C ATOM 29 CD2 TRP A 2 9.587 0.001 4.930 1.00 0.00 C ATOM 30 NE1 TRP A 2 11.493 -1.140 4.636 1.00 0.00 N ATOM 31 CE2 TRP A 2 10.884 -0.210 5.438 1.00 0.00 C ATOM 32 CE3 TRP A 2 8.750 0.916 5.576 1.00 0.00 C ATOM 33 CZ2 TRP A 2 11.360 0.460 6.563 1.00 0.00 C ATOM 34 CZ3 TRP A 2 9.225 1.579 6.692 1.00 0.00 C ATOM 35 CH2 TRP A 2 10.519 1.350 7.175 1.00 0.00 C ATOM 36 H TRP A 2 7.094 -0.807 0.430 1.00 0.00 H ATOM 37 HA TRP A 2 7.692 1.092 2.551 1.00 0.00 H ATOM 38 HB2 TRP A 2 7.364 -1.060 3.553 1.00 0.00 H ATOM 39 HB3 TRP A 2 8.328 -1.851 2.310 1.00 0.00 H ATOM 40 HD1 TRP A 2 10.820 -2.233 2.865 1.00 0.00 H ATOM 41 HE1 TRP A 2 12.404 -1.482 4.750 1.00 0.00 H ATOM 42 HE3 TRP A 2 7.749 1.104 5.217 1.00 0.00 H ATOM 43 HZ2 TRP A 2 12.356 0.295 6.947 1.00 0.00 H ATOM 44 HZ3 TRP A 2 8.592 2.290 7.204 1.00 0.00 H ATOM 45 HH2 TRP A 2 10.848 1.891 8.050 1.00 0.00 H ATOM 46 N LYS A 3 9.193 1.646 0.407 1.00 0.00 N ATOM 47 CA LYS A 3 10.236 2.167 -0.498 1.00 0.00 C ATOM 48 C LYS A 3 9.460 2.478 -1.767 1.00 0.00 C ATOM 49 O LYS A 3 8.786 3.506 -1.843 1.00 0.00 O ATOM 50 CB LYS A 3 11.357 1.148 -0.753 1.00 0.00 C ATOM 51 CG LYS A 3 12.304 1.551 -1.872 1.00 0.00 C ATOM 52 CD LYS A 3 12.911 2.923 -1.621 1.00 0.00 C ATOM 53 CE LYS A 3 14.409 2.927 -1.885 1.00 0.00 C ATOM 54 NZ LYS A 3 14.991 4.292 -1.756 1.00 0.00 N ATOM 55 H LYS A 3 8.315 2.078 0.365 1.00 0.00 H ATOM 56 HA LYS A 3 10.634 3.082 -0.082 1.00 0.00 H ATOM 57 HB2 LYS A 3 11.935 1.034 0.153 1.00 0.00 H ATOM 58 HB3 LYS A 3 10.915 0.197 -1.008 1.00 0.00 H ATOM 59 HG2 LYS A 3 13.098 0.823 -1.938 1.00 0.00 H ATOM 60 HG3 LYS A 3 11.756 1.574 -2.803 1.00 0.00 H ATOM 61 HD2 LYS A 3 12.440 3.640 -2.274 1.00 0.00 H ATOM 62 HD3 LYS A 3 12.736 3.200 -0.592 1.00 0.00 H ATOM 63 HE2 LYS A 3 14.890 2.273 -1.173 1.00 0.00 H ATOM 64 HE3 LYS A 3 14.586 2.562 -2.886 1.00 0.00 H ATOM 65 HZ1 LYS A 3 16.009 4.268 -1.971 1.00 0.00 H ATOM 66 HZ2 LYS A 3 14.861 4.647 -0.788 1.00 0.00 H ATOM 67 HZ3 LYS A 3 14.524 4.943 -2.419 1.00 0.00 H HETATM 68 N UVR A 4 9.378 1.500 -2.670 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.140 1.409 -3.086 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.938 0.659 -1.977 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.664 0.019 -1.494 1.00 0.00 H HETATM 72 HN UVR A 4 9.801 0.649 -2.499 1.00 0.00 H HETATM 73 CA UVR A 4 8.471 1.616 -3.791 1.00 0.00 C HETATM 74 HA UVR A 4 8.550 2.603 -4.203 1.00 0.00 H HETATM 75 CB UVR A 4 8.722 0.533 -4.843 1.00 0.00 C HETATM 76 HB UVR A 4 7.812 0.364 -5.397 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.101 -0.685 -4.228 1.00 0.00 O HETATM 78 HG1 UVR A 4 8.349 -1.057 -3.763 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.804 0.903 -5.834 1.00 0.00 C HETATM 80 HG21 UVR A 4 9.379 0.970 -6.825 1.00 0.00 H HETATM 81 HG22 UVR A 4 10.576 0.147 -5.824 1.00 0.00 H HETATM 82 HG23 UVR A 4 10.231 1.857 -5.562 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 8 HETATM 1 NT1 UVR A 1 5.690 0.867 -1.621 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.094 1.736 -2.478 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.991 2.073 -3.402 1.00 0.00 N HETATM 4 CA UVR A 1 5.017 0.371 -0.408 1.00 0.00 C HETATM 5 HA UVR A 1 4.921 -0.708 -0.418 1.00 0.00 H HETATM 6 CB UVR A 1 3.636 1.010 -0.227 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.291 1.381 -1.181 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.715 1.835 0.466 1.00 0.00 H HETATM 9 CG UVR A 1 2.600 0.061 0.304 1.00 0.00 C HETATM 10 CD1 UVR A 1 2.849 -0.691 1.440 1.00 0.00 C HETATM 11 HD1 UVR A 1 3.798 -0.588 1.946 1.00 0.00 H HETATM 12 CD2 UVR A 1 1.379 -0.080 -0.335 1.00 0.00 C HETATM 13 HD2 UVR A 1 1.175 0.502 -1.222 1.00 0.00 H HETATM 14 CE1 UVR A 1 1.898 -1.566 1.931 1.00 0.00 C HETATM 15 HE1 UVR A 1 2.104 -2.147 2.817 1.00 0.00 H HETATM 16 CE2 UVR A 1 0.425 -0.953 0.150 1.00 0.00 C HETATM 17 HE2 UVR A 1 -0.524 -1.053 -0.357 1.00 0.00 H HETATM 18 CZ UVR A 1 0.685 -1.697 1.285 1.00 0.00 C HETATM 19 HZ UVR A 1 -0.060 -2.380 1.665 1.00 0.00 H HETATM 20 C UVR A 1 5.940 0.775 0.768 1.00 0.00 C HETATM 21 O UVR A 1 5.749 1.819 1.390 1.00 0.00 O ATOM 22 N TRP A 2 6.991 -0.030 0.996 1.00 0.00 N ATOM 23 CA TRP A 2 8.011 0.249 2.001 1.00 0.00 C ATOM 24 C TRP A 2 9.317 0.621 1.270 1.00 0.00 C ATOM 25 O TRP A 2 10.361 -0.005 1.448 1.00 0.00 O ATOM 26 CB TRP A 2 8.227 -0.964 2.910 1.00 0.00 C ATOM 27 CG TRP A 2 9.311 -0.764 3.925 1.00 0.00 C ATOM 28 CD1 TRP A 2 9.223 -0.054 5.088 1.00 0.00 C ATOM 29 CD2 TRP A 2 10.646 -1.280 3.869 1.00 0.00 C ATOM 30 NE1 TRP A 2 10.422 -0.096 5.757 1.00 0.00 N ATOM 31 CE2 TRP A 2 11.311 -0.844 5.030 1.00 0.00 C ATOM 32 CE3 TRP A 2 11.342 -2.071 2.950 1.00 0.00 C ATOM 33 CZ2 TRP A 2 12.639 -1.170 5.295 1.00 0.00 C ATOM 34 CZ3 TRP A 2 12.660 -2.394 3.214 1.00 0.00 C ATOM 35 CH2 TRP A 2 13.295 -1.946 4.378 1.00 0.00 C ATOM 36 H TRP A 2 7.111 -0.806 0.436 1.00 0.00 H ATOM 37 HA TRP A 2 7.676 1.083 2.577 1.00 0.00 H ATOM 38 HB2 TRP A 2 7.311 -1.174 3.441 1.00 0.00 H ATOM 39 HB3 TRP A 2 8.490 -1.818 2.304 1.00 0.00 H ATOM 40 HD1 TRP A 2 8.335 0.462 5.419 1.00 0.00 H ATOM 41 HE1 TRP A 2 10.611 0.338 6.616 1.00 0.00 H ATOM 42 HE3 TRP A 2 10.868 -2.426 2.047 1.00 0.00 H ATOM 43 HZ2 TRP A 2 13.144 -0.833 6.188 1.00 0.00 H ATOM 44 HZ3 TRP A 2 13.214 -3.004 2.516 1.00 0.00 H ATOM 45 HH2 TRP A 2 14.326 -2.223 4.544 1.00 0.00 H ATOM 46 N LYS A 3 9.176 1.618 0.396 1.00 0.00 N ATOM 47 CA LYS A 3 10.224 2.145 -0.502 1.00 0.00 C ATOM 48 C LYS A 3 9.449 2.471 -1.766 1.00 0.00 C ATOM 49 O LYS A 3 8.759 3.490 -1.822 1.00 0.00 O ATOM 50 CB LYS A 3 11.335 1.120 -0.769 1.00 0.00 C ATOM 51 CG LYS A 3 12.494 1.210 0.211 1.00 0.00 C ATOM 52 CD LYS A 3 13.653 2.004 -0.368 1.00 0.00 C ATOM 53 CE LYS A 3 14.489 1.159 -1.315 1.00 0.00 C ATOM 54 NZ LYS A 3 13.869 1.059 -2.664 1.00 0.00 N ATOM 55 H LYS A 3 8.281 2.007 0.310 1.00 0.00 H ATOM 56 HA LYS A 3 10.628 3.053 -0.076 1.00 0.00 H ATOM 57 HB2 LYS A 3 10.916 0.127 -0.706 1.00 0.00 H ATOM 58 HB3 LYS A 3 11.721 1.275 -1.765 1.00 0.00 H ATOM 59 HG2 LYS A 3 12.153 1.698 1.113 1.00 0.00 H ATOM 60 HG3 LYS A 3 12.833 0.212 0.446 1.00 0.00 H ATOM 61 HD2 LYS A 3 13.261 2.852 -0.910 1.00 0.00 H ATOM 62 HD3 LYS A 3 14.280 2.349 0.441 1.00 0.00 H ATOM 63 HE2 LYS A 3 15.466 1.607 -1.411 1.00 0.00 H ATOM 64 HE3 LYS A 3 14.589 0.167 -0.899 1.00 0.00 H ATOM 65 HZ1 LYS A 3 13.220 0.246 -2.701 1.00 0.00 H ATOM 66 HZ2 LYS A 3 14.604 0.934 -3.389 1.00 0.00 H ATOM 67 HZ3 LYS A 3 13.333 1.924 -2.876 1.00 0.00 H HETATM 68 N UVR A 4 9.381 1.509 -2.692 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.142 1.428 -3.099 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.947 0.674 -1.990 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.676 0.035 -1.511 1.00 0.00 H HETATM 72 HN UVR A 4 9.816 0.660 -2.539 1.00 0.00 H HETATM 73 CA UVR A 4 8.471 1.641 -3.810 1.00 0.00 C HETATM 74 HA UVR A 4 8.551 2.632 -4.211 1.00 0.00 H HETATM 75 CB UVR A 4 8.715 0.566 -4.875 1.00 0.00 C HETATM 76 HB UVR A 4 7.797 0.395 -5.417 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.110 -0.654 -4.274 1.00 0.00 O HETATM 78 HG1 UVR A 4 8.386 -1.001 -3.747 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.781 0.949 -5.878 1.00 0.00 C HETATM 80 HG21 UVR A 4 9.498 0.592 -6.858 1.00 0.00 H HETATM 81 HG22 UVR A 4 10.722 0.505 -5.592 1.00 0.00 H HETATM 82 HG23 UVR A 4 9.883 2.025 -5.903 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 9 HETATM 1 NT1 UVR A 1 5.684 0.863 -1.619 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.089 1.718 -2.492 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.991 2.046 -3.415 1.00 0.00 N HETATM 4 CA UVR A 1 5.006 0.381 -0.400 1.00 0.00 C HETATM 5 HA UVR A 1 4.894 -0.695 -0.405 1.00 0.00 H HETATM 6 CB UVR A 1 3.638 1.045 -0.216 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.592 1.937 -0.824 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.515 1.318 0.821 1.00 0.00 H HETATM 9 CG UVR A 1 2.484 0.163 -0.601 1.00 0.00 C HETATM 10 CD1 UVR A 1 2.248 -1.026 0.072 1.00 0.00 C HETATM 11 HD1 UVR A 1 2.904 -1.316 0.880 1.00 0.00 H HETATM 12 CD2 UVR A 1 1.634 0.523 -1.634 1.00 0.00 C HETATM 13 HD2 UVR A 1 1.808 1.447 -2.165 1.00 0.00 H HETATM 14 CE1 UVR A 1 1.185 -1.837 -0.278 1.00 0.00 C HETATM 15 HE1 UVR A 1 1.013 -2.761 0.255 1.00 0.00 H HETATM 16 CE2 UVR A 1 0.570 -0.284 -1.989 1.00 0.00 C HETATM 17 HE2 UVR A 1 -0.085 0.009 -2.796 1.00 0.00 H HETATM 18 CZ UVR A 1 0.346 -1.466 -1.310 1.00 0.00 C HETATM 19 HZ UVR A 1 -0.486 -2.098 -1.584 1.00 0.00 H HETATM 20 C UVR A 1 5.939 0.779 0.769 1.00 0.00 C HETATM 21 O UVR A 1 5.761 1.826 1.390 1.00 0.00 O ATOM 22 N TRP A 2 6.985 -0.035 0.990 1.00 0.00 N ATOM 23 CA TRP A 2 8.015 0.237 1.987 1.00 0.00 C ATOM 24 C TRP A 2 9.316 0.611 1.249 1.00 0.00 C ATOM 25 O TRP A 2 10.352 -0.036 1.400 1.00 0.00 O ATOM 26 CB TRP A 2 8.238 -0.980 2.888 1.00 0.00 C ATOM 27 CG TRP A 2 9.240 -0.736 3.975 1.00 0.00 C ATOM 28 CD1 TRP A 2 9.033 -0.054 5.139 1.00 0.00 C ATOM 29 CD2 TRP A 2 10.605 -1.171 4.000 1.00 0.00 C ATOM 30 NE1 TRP A 2 10.185 -0.037 5.886 1.00 0.00 N ATOM 31 CE2 TRP A 2 11.164 -0.717 5.209 1.00 0.00 C ATOM 32 CE3 TRP A 2 11.408 -1.901 3.119 1.00 0.00 C ATOM 33 CZ2 TRP A 2 12.489 -0.969 5.558 1.00 0.00 C ATOM 34 CZ3 TRP A 2 12.723 -2.150 3.466 1.00 0.00 C ATOM 35 CH2 TRP A 2 13.252 -1.686 4.677 1.00 0.00 C ATOM 36 H TRP A 2 7.094 -0.813 0.431 1.00 0.00 H ATOM 37 HA TRP A 2 7.684 1.068 2.572 1.00 0.00 H ATOM 38 HB2 TRP A 2 7.303 -1.253 3.352 1.00 0.00 H ATOM 39 HB3 TRP A 2 8.590 -1.805 2.286 1.00 0.00 H ATOM 40 HD1 TRP A 2 8.096 0.402 5.418 1.00 0.00 H ATOM 41 HE1 TRP A 2 10.290 0.391 6.762 1.00 0.00 H ATOM 42 HE3 TRP A 2 11.018 -2.268 2.181 1.00 0.00 H ATOM 43 HZ2 TRP A 2 12.911 -0.617 6.488 1.00 0.00 H ATOM 44 HZ3 TRP A 2 13.359 -2.712 2.798 1.00 0.00 H ATOM 45 HH2 TRP A 2 14.284 -1.902 4.907 1.00 0.00 H ATOM 46 N LYS A 3 9.182 1.632 0.401 1.00 0.00 N ATOM 47 CA LYS A 3 10.226 2.169 -0.497 1.00 0.00 C ATOM 48 C LYS A 3 9.454 2.476 -1.768 1.00 0.00 C ATOM 49 O LYS A 3 8.772 3.498 -1.844 1.00 0.00 O ATOM 50 CB LYS A 3 11.369 1.169 -0.743 1.00 0.00 C ATOM 51 CG LYS A 3 12.437 1.689 -1.692 1.00 0.00 C ATOM 52 CD LYS A 3 12.143 1.305 -3.132 1.00 0.00 C ATOM 53 CE LYS A 3 13.413 1.255 -3.966 1.00 0.00 C ATOM 54 NZ LYS A 3 14.099 2.575 -4.013 1.00 0.00 N ATOM 55 H LYS A 3 8.292 2.036 0.334 1.00 0.00 H ATOM 56 HA LYS A 3 10.607 3.089 -0.076 1.00 0.00 H ATOM 57 HB2 LYS A 3 11.842 0.944 0.201 1.00 0.00 H ATOM 58 HB3 LYS A 3 10.960 0.260 -1.156 1.00 0.00 H ATOM 59 HG2 LYS A 3 12.477 2.765 -1.619 1.00 0.00 H ATOM 60 HG3 LYS A 3 13.392 1.271 -1.405 1.00 0.00 H ATOM 61 HD2 LYS A 3 11.676 0.332 -3.147 1.00 0.00 H ATOM 62 HD3 LYS A 3 11.472 2.036 -3.558 1.00 0.00 H ATOM 63 HE2 LYS A 3 14.084 0.527 -3.534 1.00 0.00 H ATOM 64 HE3 LYS A 3 13.158 0.956 -4.971 1.00 0.00 H ATOM 65 HZ1 LYS A 3 13.507 3.268 -4.515 1.00 0.00 H ATOM 66 HZ2 LYS A 3 15.009 2.490 -4.510 1.00 0.00 H ATOM 67 HZ3 LYS A 3 14.276 2.922 -3.047 1.00 0.00 H HETATM 68 N UVR A 4 9.379 1.501 -2.678 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.142 1.411 -3.096 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.943 0.672 -1.978 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.674 0.043 -1.487 1.00 0.00 H HETATM 72 HN UVR A 4 9.807 0.653 -2.511 1.00 0.00 H HETATM 73 CA UVR A 4 8.475 1.620 -3.800 1.00 0.00 C HETATM 74 HA UVR A 4 8.554 2.606 -4.212 1.00 0.00 H HETATM 75 CB UVR A 4 8.729 0.535 -4.851 1.00 0.00 C HETATM 76 HB UVR A 4 7.834 0.403 -5.440 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.041 -0.700 -4.231 1.00 0.00 O HETATM 78 HG1 UVR A 4 8.256 -1.252 -4.206 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.860 0.875 -5.796 1.00 0.00 C HETATM 80 HG21 UVR A 4 10.166 1.898 -5.641 1.00 0.00 H HETATM 81 HG22 UVR A 4 9.527 0.749 -6.816 1.00 0.00 H HETATM 82 HG23 UVR A 4 10.696 0.217 -5.608 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 10 HETATM 1 NT1 UVR A 1 5.690 0.866 -1.619 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.093 1.728 -2.485 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.991 2.064 -3.407 1.00 0.00 N HETATM 4 CA UVR A 1 5.016 0.375 -0.406 1.00 0.00 C HETATM 5 HA UVR A 1 4.914 -0.703 -0.414 1.00 0.00 H HETATM 6 CB UVR A 1 3.640 1.023 -0.226 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.749 2.097 -0.264 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.239 0.741 0.736 1.00 0.00 H HETATM 9 CG UVR A 1 2.646 0.620 -1.277 1.00 0.00 C HETATM 10 CD1 UVR A 1 2.074 -0.642 -1.260 1.00 0.00 C HETATM 11 HD1 UVR A 1 2.349 -1.338 -0.480 1.00 0.00 H HETATM 12 CD2 UVR A 1 2.283 1.502 -2.283 1.00 0.00 C HETATM 13 HD2 UVR A 1 2.723 2.489 -2.305 1.00 0.00 H HETATM 14 CE1 UVR A 1 1.159 -1.016 -2.226 1.00 0.00 C HETATM 15 HE1 UVR A 1 0.721 -2.004 -2.202 1.00 0.00 H HETATM 16 CE2 UVR A 1 1.369 1.133 -3.251 1.00 0.00 C HETATM 17 HE2 UVR A 1 1.095 1.830 -4.030 1.00 0.00 H HETATM 18 CZ UVR A 1 0.806 -0.128 -3.223 1.00 0.00 C HETATM 19 HZ UVR A 1 0.092 -0.419 -3.979 1.00 0.00 H HETATM 20 C UVR A 1 5.940 0.776 0.769 1.00 0.00 C HETATM 21 O UVR A 1 5.748 1.819 1.395 1.00 0.00 O ATOM 22 N TRP A 2 6.990 -0.032 0.994 1.00 0.00 N ATOM 23 CA TRP A 2 8.012 0.244 2.000 1.00 0.00 C ATOM 24 C TRP A 2 9.317 0.623 1.271 1.00 0.00 C ATOM 25 O TRP A 2 10.366 0.004 1.455 1.00 0.00 O ATOM 26 CB TRP A 2 8.227 -0.975 2.904 1.00 0.00 C ATOM 27 CG TRP A 2 7.888 -0.718 4.340 1.00 0.00 C ATOM 28 CD1 TRP A 2 8.656 -0.063 5.259 1.00 0.00 C ATOM 29 CD2 TRP A 2 6.693 -1.113 5.023 1.00 0.00 C ATOM 30 NE1 TRP A 2 8.013 -0.026 6.472 1.00 0.00 N ATOM 31 CE2 TRP A 2 6.805 -0.664 6.353 1.00 0.00 C ATOM 32 CE3 TRP A 2 5.539 -1.801 4.639 1.00 0.00 C ATOM 33 CZ2 TRP A 2 5.807 -0.881 7.299 1.00 0.00 C ATOM 34 CZ3 TRP A 2 4.549 -2.017 5.579 1.00 0.00 C ATOM 35 CH2 TRP A 2 4.688 -1.558 6.895 1.00 0.00 C ATOM 36 H TRP A 2 7.108 -0.806 0.433 1.00 0.00 H ATOM 37 HA TRP A 2 7.674 1.074 2.581 1.00 0.00 H ATOM 38 HB2 TRP A 2 7.605 -1.786 2.556 1.00 0.00 H ATOM 39 HB3 TRP A 2 9.263 -1.275 2.854 1.00 0.00 H ATOM 40 HD1 TRP A 2 9.628 0.360 5.049 1.00 0.00 H ATOM 41 HE1 TRP A 2 8.361 0.390 7.289 1.00 0.00 H ATOM 42 HE3 TRP A 2 5.414 -2.161 3.629 1.00 0.00 H ATOM 43 HZ2 TRP A 2 5.898 -0.534 8.317 1.00 0.00 H ATOM 44 HZ3 TRP A 2 3.650 -2.548 5.301 1.00 0.00 H ATOM 45 HH2 TRP A 2 3.889 -1.750 7.596 1.00 0.00 H ATOM 46 N LYS A 3 9.175 1.616 0.394 1.00 0.00 N ATOM 47 CA LYS A 3 10.223 2.150 -0.502 1.00 0.00 C ATOM 48 C LYS A 3 9.449 2.472 -1.767 1.00 0.00 C ATOM 49 O LYS A 3 8.758 3.491 -1.826 1.00 0.00 O ATOM 50 CB LYS A 3 11.343 1.134 -0.769 1.00 0.00 C ATOM 51 CG LYS A 3 12.537 1.286 0.159 1.00 0.00 C ATOM 52 CD LYS A 3 13.200 2.646 -0.004 1.00 0.00 C ATOM 53 CE LYS A 3 14.514 2.721 0.757 1.00 0.00 C ATOM 54 NZ LYS A 3 14.309 2.640 2.230 1.00 0.00 N ATOM 55 H LYS A 3 8.278 2.001 0.303 1.00 0.00 H ATOM 56 HA LYS A 3 10.620 3.060 -0.074 1.00 0.00 H ATOM 57 HB2 LYS A 3 10.946 0.137 -0.651 1.00 0.00 H ATOM 58 HB3 LYS A 3 11.687 1.255 -1.785 1.00 0.00 H ATOM 59 HG2 LYS A 3 12.206 1.181 1.180 1.00 0.00 H ATOM 60 HG3 LYS A 3 13.259 0.515 -0.069 1.00 0.00 H ATOM 61 HD2 LYS A 3 13.392 2.818 -1.052 1.00 0.00 H ATOM 62 HD3 LYS A 3 12.532 3.407 0.372 1.00 0.00 H ATOM 63 HE2 LYS A 3 15.143 1.899 0.445 1.00 0.00 H ATOM 64 HE3 LYS A 3 15.000 3.656 0.519 1.00 0.00 H ATOM 65 HZ1 LYS A 3 13.424 2.138 2.441 1.00 0.00 H ATOM 66 HZ2 LYS A 3 14.258 3.596 2.637 1.00 0.00 H ATOM 67 HZ3 LYS A 3 15.101 2.130 2.673 1.00 0.00 H HETATM 68 N UVR A 4 9.383 1.508 -2.691 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.144 1.425 -3.099 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.949 0.677 -1.986 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.679 0.043 -1.501 1.00 0.00 H HETATM 72 HN UVR A 4 9.818 0.661 -2.535 1.00 0.00 H HETATM 73 CA UVR A 4 8.473 1.637 -3.810 1.00 0.00 C HETATM 74 HA UVR A 4 8.551 2.628 -4.213 1.00 0.00 H HETATM 75 CB UVR A 4 8.717 0.561 -4.871 1.00 0.00 C HETATM 76 HB UVR A 4 7.800 0.388 -5.413 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.113 -0.657 -4.268 1.00 0.00 O HETATM 78 HG1 UVR A 4 8.335 -1.180 -4.059 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.782 0.943 -5.876 1.00 0.00 C HETATM 80 HG21 UVR A 4 9.638 0.379 -6.786 1.00 0.00 H HETATM 81 HG22 UVR A 4 10.758 0.723 -5.467 1.00 0.00 H HETATM 82 HG23 UVR A 4 9.712 1.999 -6.092 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 11 HETATM 1 NT1 UVR A 1 5.689 0.864 -1.619 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.093 1.729 -2.481 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.990 2.066 -3.403 1.00 0.00 N HETATM 4 CA UVR A 1 5.014 0.372 -0.405 1.00 0.00 C HETATM 5 HA UVR A 1 4.914 -0.707 -0.414 1.00 0.00 H HETATM 6 CB UVR A 1 3.637 1.018 -0.226 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.649 2.003 -0.669 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.422 1.106 0.828 1.00 0.00 H HETATM 9 CG UVR A 1 2.521 0.237 -0.860 1.00 0.00 C HETATM 10 CD1 UVR A 1 1.573 0.872 -1.646 1.00 0.00 C HETATM 11 HD1 UVR A 1 1.642 1.938 -1.801 1.00 0.00 H HETATM 12 CD2 UVR A 1 2.421 -1.131 -0.669 1.00 0.00 C HETATM 13 HD2 UVR A 1 3.155 -1.637 -0.059 1.00 0.00 H HETATM 14 CE1 UVR A 1 0.546 0.155 -2.230 1.00 0.00 C HETATM 15 HE1 UVR A 1 -0.187 0.662 -2.841 1.00 0.00 H HETATM 16 CE2 UVR A 1 1.396 -1.853 -1.251 1.00 0.00 C HETATM 17 HE2 UVR A 1 1.329 -2.919 -1.095 1.00 0.00 H HETATM 18 CZ UVR A 1 0.457 -1.208 -2.032 1.00 0.00 C HETATM 19 HZ UVR A 1 -0.345 -1.770 -2.488 1.00 0.00 H HETATM 20 C UVR A 1 5.937 0.775 0.768 1.00 0.00 C HETATM 21 O UVR A 1 5.748 1.820 1.391 1.00 0.00 O ATOM 22 N TRP A 2 6.989 -0.031 0.994 1.00 0.00 N ATOM 23 CA TRP A 2 8.012 0.246 1.998 1.00 0.00 C ATOM 24 C TRP A 2 9.316 0.620 1.264 1.00 0.00 C ATOM 25 O TRP A 2 10.358 -0.014 1.432 1.00 0.00 O ATOM 26 CB TRP A 2 8.230 -0.967 2.905 1.00 0.00 C ATOM 27 CG TRP A 2 7.613 -0.813 4.260 1.00 0.00 C ATOM 28 CD1 TRP A 2 6.378 -1.242 4.653 1.00 0.00 C ATOM 29 CD2 TRP A 2 8.202 -0.184 5.404 1.00 0.00 C ATOM 30 NE1 TRP A 2 6.163 -0.918 5.971 1.00 0.00 N ATOM 31 CE2 TRP A 2 7.268 -0.267 6.454 1.00 0.00 C ATOM 32 CE3 TRP A 2 9.429 0.443 5.643 1.00 0.00 C ATOM 33 CZ2 TRP A 2 7.523 0.250 7.721 1.00 0.00 C ATOM 34 CZ3 TRP A 2 9.680 0.957 6.901 1.00 0.00 C ATOM 35 CH2 TRP A 2 8.732 0.857 7.926 1.00 0.00 C ATOM 36 H TRP A 2 7.107 -0.806 0.434 1.00 0.00 H ATOM 37 HA TRP A 2 7.677 1.080 2.576 1.00 0.00 H ATOM 38 HB2 TRP A 2 7.796 -1.839 2.438 1.00 0.00 H ATOM 39 HB3 TRP A 2 9.290 -1.126 3.035 1.00 0.00 H ATOM 40 HD1 TRP A 2 5.682 -1.759 4.010 1.00 0.00 H ATOM 41 HE1 TRP A 2 5.351 -1.120 6.481 1.00 0.00 H ATOM 42 HE3 TRP A 2 10.173 0.529 4.865 1.00 0.00 H ATOM 43 HZ2 TRP A 2 6.802 0.181 8.522 1.00 0.00 H ATOM 44 HZ3 TRP A 2 10.622 1.445 7.104 1.00 0.00 H ATOM 45 HH2 TRP A 2 8.971 1.274 8.894 1.00 0.00 H ATOM 46 N LYS A 3 9.179 1.623 0.397 1.00 0.00 N ATOM 47 CA LYS A 3 10.226 2.149 -0.501 1.00 0.00 C ATOM 48 C LYS A 3 9.451 2.471 -1.766 1.00 0.00 C ATOM 49 O LYS A 3 8.762 3.490 -1.825 1.00 0.00 O ATOM 50 CB LYS A 3 11.342 1.125 -0.758 1.00 0.00 C ATOM 51 CG LYS A 3 12.280 1.510 -1.892 1.00 0.00 C ATOM 52 CD LYS A 3 13.535 2.192 -1.371 1.00 0.00 C ATOM 53 CE LYS A 3 13.527 3.683 -1.671 1.00 0.00 C ATOM 54 NZ LYS A 3 14.435 4.437 -0.764 1.00 0.00 N ATOM 55 H LYS A 3 8.284 2.018 0.315 1.00 0.00 H ATOM 56 HA LYS A 3 10.627 3.059 -0.076 1.00 0.00 H ATOM 57 HB2 LYS A 3 11.929 1.017 0.142 1.00 0.00 H ATOM 58 HB3 LYS A 3 10.893 0.172 -0.998 1.00 0.00 H ATOM 59 HG2 LYS A 3 12.565 0.618 -2.430 1.00 0.00 H ATOM 60 HG3 LYS A 3 11.764 2.185 -2.559 1.00 0.00 H ATOM 61 HD2 LYS A 3 13.594 2.051 -0.303 1.00 0.00 H ATOM 62 HD3 LYS A 3 14.398 1.744 -1.843 1.00 0.00 H ATOM 63 HE2 LYS A 3 13.846 3.834 -2.692 1.00 0.00 H ATOM 64 HE3 LYS A 3 12.521 4.055 -1.551 1.00 0.00 H ATOM 65 HZ1 LYS A 3 15.394 4.472 -1.165 1.00 0.00 H ATOM 66 HZ2 LYS A 3 14.478 3.973 0.166 1.00 0.00 H ATOM 67 HZ3 LYS A 3 14.087 5.409 -0.637 1.00 0.00 H HETATM 68 N UVR A 4 9.381 1.508 -2.689 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.142 1.425 -3.098 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.946 0.675 -1.986 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.676 0.038 -1.503 1.00 0.00 H HETATM 72 HN UVR A 4 9.815 0.660 -2.534 1.00 0.00 H HETATM 73 CA UVR A 4 8.472 1.637 -3.807 1.00 0.00 C HETATM 74 HA UVR A 4 8.550 2.628 -4.209 1.00 0.00 H HETATM 75 CB UVR A 4 8.717 0.563 -4.870 1.00 0.00 C HETATM 76 HB UVR A 4 7.799 0.387 -5.411 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.118 -0.656 -4.268 1.00 0.00 O HETATM 78 HG1 UVR A 4 8.341 -1.143 -3.984 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.781 0.948 -5.876 1.00 0.00 C HETATM 80 HG21 UVR A 4 9.620 1.966 -6.197 1.00 0.00 H HETATM 81 HG22 UVR A 4 9.724 0.289 -6.730 1.00 0.00 H HETATM 82 HG23 UVR A 4 10.755 0.863 -5.419 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 12 HETATM 1 NT1 UVR A 1 5.689 0.867 -1.618 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.095 1.735 -2.478 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.993 2.071 -3.401 1.00 0.00 N HETATM 4 CA UVR A 1 5.015 0.373 -0.405 1.00 0.00 C HETATM 5 HA UVR A 1 4.916 -0.705 -0.414 1.00 0.00 H HETATM 6 CB UVR A 1 3.636 1.017 -0.224 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.275 1.354 -1.184 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.725 1.865 0.438 1.00 0.00 H HETATM 9 CG UVR A 1 2.611 0.085 0.358 1.00 0.00 C HETATM 10 CD1 UVR A 1 1.331 0.025 -0.170 1.00 0.00 C HETATM 11 HD1 UVR A 1 1.073 0.658 -1.007 1.00 0.00 H HETATM 12 CD2 UVR A 1 2.928 -0.733 1.430 1.00 0.00 C HETATM 13 HD2 UVR A 1 3.922 -0.695 1.850 1.00 0.00 H HETATM 14 CE1 UVR A 1 0.387 -0.832 0.360 1.00 0.00 C HETATM 15 HE1 UVR A 1 -0.608 -0.869 -0.059 1.00 0.00 H HETATM 16 CE2 UVR A 1 1.987 -1.592 1.965 1.00 0.00 C HETATM 17 HE2 UVR A 1 2.247 -2.225 2.802 1.00 0.00 H HETATM 18 CZ UVR A 1 0.715 -1.642 1.431 1.00 0.00 C HETATM 19 HZ UVR A 1 -0.022 -2.314 1.847 1.00 0.00 H HETATM 20 C UVR A 1 5.939 0.776 0.769 1.00 0.00 C HETATM 21 O UVR A 1 5.750 1.821 1.391 1.00 0.00 O ATOM 22 N TRP A 2 6.989 -0.031 0.994 1.00 0.00 N ATOM 23 CA TRP A 2 8.011 0.245 1.997 1.00 0.00 C ATOM 24 C TRP A 2 9.316 0.618 1.262 1.00 0.00 C ATOM 25 O TRP A 2 10.358 -0.017 1.428 1.00 0.00 O ATOM 26 CB TRP A 2 8.226 -0.972 2.903 1.00 0.00 C ATOM 27 CG TRP A 2 9.353 -0.802 3.876 1.00 0.00 C ATOM 28 CD1 TRP A 2 9.336 -0.072 5.029 1.00 0.00 C ATOM 29 CD2 TRP A 2 10.660 -1.376 3.782 1.00 0.00 C ATOM 30 NE1 TRP A 2 10.554 -0.156 5.658 1.00 0.00 N ATOM 31 CE2 TRP A 2 11.385 -0.951 4.912 1.00 0.00 C ATOM 32 CE3 TRP A 2 11.289 -2.210 2.852 1.00 0.00 C ATOM 33 CZ2 TRP A 2 12.706 -1.331 5.136 1.00 0.00 C ATOM 34 CZ3 TRP A 2 12.601 -2.586 3.075 1.00 0.00 C ATOM 35 CH2 TRP A 2 13.296 -2.147 4.210 1.00 0.00 C ATOM 36 H TRP A 2 7.106 -0.807 0.434 1.00 0.00 H ATOM 37 HA TRP A 2 7.678 1.077 2.576 1.00 0.00 H ATOM 38 HB2 TRP A 2 7.324 -1.152 3.469 1.00 0.00 H ATOM 39 HB3 TRP A 2 8.439 -1.835 2.290 1.00 0.00 H ATOM 40 HD1 TRP A 2 8.481 0.486 5.382 1.00 0.00 H ATOM 41 HE1 TRP A 2 10.790 0.281 6.502 1.00 0.00 H ATOM 42 HE3 TRP A 2 10.769 -2.558 1.973 1.00 0.00 H ATOM 43 HZ2 TRP A 2 13.255 -1.002 6.004 1.00 0.00 H ATOM 44 HZ3 TRP A 2 13.103 -3.228 2.368 1.00 0.00 H ATOM 45 HH2 TRP A 2 14.319 -2.465 4.343 1.00 0.00 H ATOM 46 N LYS A 3 9.178 1.623 0.398 1.00 0.00 N ATOM 47 CA LYS A 3 10.225 2.151 -0.500 1.00 0.00 C ATOM 48 C LYS A 3 9.450 2.472 -1.767 1.00 0.00 C ATOM 49 O LYS A 3 8.761 3.491 -1.827 1.00 0.00 O ATOM 50 CB LYS A 3 11.344 1.131 -0.758 1.00 0.00 C ATOM 51 CG LYS A 3 12.283 1.524 -1.887 1.00 0.00 C ATOM 52 CD LYS A 3 13.394 2.442 -1.396 1.00 0.00 C ATOM 53 CE LYS A 3 13.247 3.848 -1.954 1.00 0.00 C ATOM 54 NZ LYS A 3 14.210 4.112 -3.059 1.00 0.00 N ATOM 55 H LYS A 3 8.285 2.019 0.317 1.00 0.00 H ATOM 56 HA LYS A 3 10.623 3.063 -0.075 1.00 0.00 H ATOM 57 HB2 LYS A 3 11.928 1.021 0.143 1.00 0.00 H ATOM 58 HB3 LYS A 3 10.898 0.178 -1.004 1.00 0.00 H ATOM 59 HG2 LYS A 3 12.725 0.631 -2.302 1.00 0.00 H ATOM 60 HG3 LYS A 3 11.717 2.035 -2.652 1.00 0.00 H ATOM 61 HD2 LYS A 3 13.361 2.488 -0.318 1.00 0.00 H ATOM 62 HD3 LYS A 3 14.345 2.037 -1.712 1.00 0.00 H ATOM 63 HE2 LYS A 3 12.241 3.970 -2.329 1.00 0.00 H ATOM 64 HE3 LYS A 3 13.422 4.557 -1.159 1.00 0.00 H ATOM 65 HZ1 LYS A 3 13.751 3.949 -3.978 1.00 0.00 H ATOM 66 HZ2 LYS A 3 15.030 3.477 -2.977 1.00 0.00 H ATOM 67 HZ3 LYS A 3 14.541 5.096 -3.017 1.00 0.00 H HETATM 68 N UVR A 4 9.382 1.507 -2.689 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.143 1.425 -3.097 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.946 0.674 -1.986 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.675 0.034 -1.506 1.00 0.00 H HETATM 72 HN UVR A 4 9.815 0.659 -2.532 1.00 0.00 H HETATM 73 CA UVR A 4 8.472 1.635 -3.807 1.00 0.00 C HETATM 74 HA UVR A 4 8.552 2.625 -4.211 1.00 0.00 H HETATM 75 CB UVR A 4 8.714 0.558 -4.870 1.00 0.00 C HETATM 76 HB UVR A 4 7.794 0.384 -5.408 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.112 -0.663 -4.268 1.00 0.00 O HETATM 78 HG1 UVR A 4 10.036 -0.609 -4.009 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.775 0.942 -5.880 1.00 0.00 C HETATM 80 HG21 UVR A 4 9.354 1.625 -6.602 1.00 0.00 H HETATM 81 HG22 UVR A 4 10.127 0.055 -6.387 1.00 0.00 H HETATM 82 HG23 UVR A 4 10.601 1.418 -5.372 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 13 HETATM 1 NT1 UVR A 1 5.696 0.892 -1.626 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.110 1.812 -2.437 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.999 2.166 -3.360 1.00 0.00 N HETATM 4 CA UVR A 1 5.029 0.363 -0.427 1.00 0.00 C HETATM 5 HA UVR A 1 4.949 -0.716 -0.461 1.00 0.00 H HETATM 6 CB UVR A 1 3.637 0.976 -0.243 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.116 0.957 -1.189 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.742 2.000 0.084 1.00 0.00 H HETATM 9 CG UVR A 1 2.792 0.253 0.766 1.00 0.00 C HETATM 10 CD1 UVR A 1 2.554 0.806 2.014 1.00 0.00 C HETATM 11 HD1 UVR A 1 2.981 1.768 2.258 1.00 0.00 H HETATM 12 CD2 UVR A 1 2.235 -0.981 0.468 1.00 0.00 C HETATM 13 HD2 UVR A 1 2.414 -1.421 -0.502 1.00 0.00 H HETATM 14 CE1 UVR A 1 1.776 0.144 2.945 1.00 0.00 C HETATM 15 HE1 UVR A 1 1.599 0.586 3.914 1.00 0.00 H HETATM 16 CE2 UVR A 1 1.458 -1.648 1.394 1.00 0.00 C HETATM 17 HE2 UVR A 1 1.030 -2.609 1.149 1.00 0.00 H HETATM 18 CZ UVR A 1 1.227 -1.086 2.634 1.00 0.00 C HETATM 19 HZ UVR A 1 0.621 -1.606 3.360 1.00 0.00 H HETATM 20 C UVR A 1 5.932 0.755 0.770 1.00 0.00 C HETATM 21 O UVR A 1 5.687 1.759 1.438 1.00 0.00 O ATOM 22 N TRP A 2 7.014 -0.019 0.985 1.00 0.00 N ATOM 23 CA TRP A 2 8.001 0.257 2.029 1.00 0.00 C ATOM 24 C TRP A 2 9.326 0.715 1.381 1.00 0.00 C ATOM 25 O TRP A 2 10.418 0.336 1.799 1.00 0.00 O ATOM 26 CB TRP A 2 8.234 -0.983 2.895 1.00 0.00 C ATOM 27 CG TRP A 2 7.275 -1.097 4.040 1.00 0.00 C ATOM 28 CD1 TRP A 2 6.193 -1.927 4.124 1.00 0.00 C ATOM 29 CD2 TRP A 2 7.308 -0.356 5.264 1.00 0.00 C ATOM 30 NE1 TRP A 2 5.553 -1.746 5.326 1.00 0.00 N ATOM 31 CE2 TRP A 2 6.218 -0.787 6.044 1.00 0.00 C ATOM 32 CE3 TRP A 2 8.154 0.631 5.778 1.00 0.00 C ATOM 33 CZ2 TRP A 2 5.954 -0.266 7.307 1.00 0.00 C ATOM 34 CZ3 TRP A 2 7.891 1.148 7.032 1.00 0.00 C ATOM 35 CH2 TRP A 2 6.798 0.698 7.785 1.00 0.00 C ATOM 36 H TRP A 2 7.171 -0.771 0.403 1.00 0.00 H ATOM 37 HA TRP A 2 7.612 1.047 2.632 1.00 0.00 H ATOM 38 HB2 TRP A 2 8.128 -1.867 2.282 1.00 0.00 H ATOM 39 HB3 TRP A 2 9.234 -0.949 3.300 1.00 0.00 H ATOM 40 HD1 TRP A 2 5.895 -2.619 3.350 1.00 0.00 H ATOM 41 HE1 TRP A 2 4.751 -2.226 5.622 1.00 0.00 H ATOM 42 HE3 TRP A 2 9.001 0.990 5.212 1.00 0.00 H ATOM 43 HZ2 TRP A 2 5.116 -0.602 7.901 1.00 0.00 H ATOM 44 HZ3 TRP A 2 8.533 1.911 7.444 1.00 0.00 H ATOM 45 HH2 TRP A 2 6.630 1.131 8.760 1.00 0.00 H ATOM 46 N LYS A 3 9.159 1.518 0.335 1.00 0.00 N ATOM 47 CA LYS A 3 10.222 2.095 -0.513 1.00 0.00 C ATOM 48 C LYS A 3 9.470 2.470 -1.778 1.00 0.00 C ATOM 49 O LYS A 3 8.819 3.514 -1.823 1.00 0.00 O ATOM 50 CB LYS A 3 11.361 1.098 -0.786 1.00 0.00 C ATOM 51 CG LYS A 3 12.689 1.766 -1.103 1.00 0.00 C ATOM 52 CD LYS A 3 12.598 2.629 -2.350 1.00 0.00 C ATOM 53 CE LYS A 3 12.409 1.785 -3.601 1.00 0.00 C ATOM 54 NZ LYS A 3 12.192 2.625 -4.810 1.00 0.00 N ATOM 55 H LYS A 3 8.234 1.734 0.092 1.00 0.00 H ATOM 56 HA LYS A 3 10.599 2.989 -0.037 1.00 0.00 H ATOM 57 HB2 LYS A 3 11.498 0.476 0.083 1.00 0.00 H ATOM 58 HB3 LYS A 3 11.091 0.472 -1.621 1.00 0.00 H ATOM 59 HG2 LYS A 3 12.975 2.388 -0.268 1.00 0.00 H ATOM 60 HG3 LYS A 3 13.436 1.002 -1.258 1.00 0.00 H ATOM 61 HD2 LYS A 3 11.760 3.302 -2.253 1.00 0.00 H ATOM 62 HD3 LYS A 3 13.511 3.200 -2.448 1.00 0.00 H ATOM 63 HE2 LYS A 3 13.291 1.180 -3.748 1.00 0.00 H ATOM 64 HE3 LYS A 3 11.552 1.143 -3.460 1.00 0.00 H ATOM 65 HZ1 LYS A 3 12.856 3.425 -4.814 1.00 0.00 H ATOM 66 HZ2 LYS A 3 11.220 2.996 -4.820 1.00 0.00 H ATOM 67 HZ3 LYS A 3 12.342 2.060 -5.671 1.00 0.00 H HETATM 68 N UVR A 4 9.365 1.520 -2.709 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.137 1.481 -3.104 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.939 0.686 -2.021 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.656 0.007 -1.578 1.00 0.00 H HETATM 72 HN UVR A 4 9.757 0.654 -2.559 1.00 0.00 H HETATM 73 CA UVR A 4 8.461 1.694 -3.822 1.00 0.00 C HETATM 74 HA UVR A 4 8.551 2.696 -4.195 1.00 0.00 H HETATM 75 CB UVR A 4 8.682 0.644 -4.915 1.00 0.00 C HETATM 76 HB UVR A 4 7.756 0.499 -5.452 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.066 -0.598 -4.351 1.00 0.00 O HETATM 78 HG1 UVR A 4 9.988 -0.560 -4.086 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.742 1.042 -5.920 1.00 0.00 C HETATM 80 HG21 UVR A 4 9.608 2.078 -6.194 1.00 0.00 H HETATM 81 HG22 UVR A 4 9.655 0.422 -6.800 1.00 0.00 H HETATM 82 HG23 UVR A 4 10.720 0.910 -5.483 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 14 HETATM 1 NT1 UVR A 1 5.694 0.876 -1.626 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.098 1.746 -2.484 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.994 2.084 -3.408 1.00 0.00 N HETATM 4 CA UVR A 1 5.022 0.379 -0.414 1.00 0.00 C HETATM 5 HA UVR A 1 4.922 -0.700 -0.429 1.00 0.00 H HETATM 6 CB UVR A 1 3.642 1.021 -0.230 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.562 1.880 -0.879 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.536 1.342 0.796 1.00 0.00 H HETATM 9 CG UVR A 1 2.499 0.095 -0.541 1.00 0.00 C HETATM 10 CD1 UVR A 1 2.549 -0.745 -1.642 1.00 0.00 C HETATM 11 HD1 UVR A 1 3.422 -0.731 -2.280 1.00 0.00 H HETATM 12 CD2 UVR A 1 1.375 0.066 0.269 1.00 0.00 C HETATM 13 HD2 UVR A 1 1.325 0.716 1.129 1.00 0.00 H HETATM 14 CE1 UVR A 1 1.500 -1.596 -1.930 1.00 0.00 C HETATM 15 HE1 UVR A 1 1.551 -2.246 -2.792 1.00 0.00 H HETATM 16 CE2 UVR A 1 0.322 -0.783 -0.015 1.00 0.00 C HETATM 17 HE2 UVR A 1 -0.548 -0.796 0.624 1.00 0.00 H HETATM 18 CZ UVR A 1 0.384 -1.615 -1.115 1.00 0.00 C HETATM 19 HZ UVR A 1 -0.437 -2.280 -1.339 1.00 0.00 H HETATM 20 C UVR A 1 5.943 0.773 0.769 1.00 0.00 C HETATM 21 O UVR A 1 5.738 1.803 1.410 1.00 0.00 O ATOM 22 N TRP A 2 7.000 -0.029 0.991 1.00 0.00 N ATOM 23 CA TRP A 2 8.011 0.238 2.011 1.00 0.00 C ATOM 24 C TRP A 2 9.324 0.655 1.314 1.00 0.00 C ATOM 25 O TRP A 2 10.402 0.127 1.588 1.00 0.00 O ATOM 26 CB TRP A 2 8.234 -0.999 2.886 1.00 0.00 C ATOM 27 CG TRP A 2 7.888 -0.781 4.328 1.00 0.00 C ATOM 28 CD1 TRP A 2 8.702 -0.273 5.299 1.00 0.00 C ATOM 29 CD2 TRP A 2 6.635 -1.067 4.961 1.00 0.00 C ATOM 30 NE1 TRP A 2 8.031 -0.225 6.497 1.00 0.00 N ATOM 31 CE2 TRP A 2 6.761 -0.706 6.316 1.00 0.00 C ATOM 32 CE3 TRP A 2 5.418 -1.590 4.514 1.00 0.00 C ATOM 33 CZ2 TRP A 2 5.718 -0.854 7.226 1.00 0.00 C ATOM 34 CZ3 TRP A 2 4.384 -1.737 5.419 1.00 0.00 C ATOM 35 CH2 TRP A 2 4.539 -1.369 6.761 1.00 0.00 C ATOM 36 H TRP A 2 7.125 -0.798 0.424 1.00 0.00 H ATOM 37 HA TRP A 2 7.655 1.046 2.611 1.00 0.00 H ATOM 38 HB2 TRP A 2 7.622 -1.808 2.516 1.00 0.00 H ATOM 39 HB3 TRP A 2 9.273 -1.290 2.833 1.00 0.00 H ATOM 40 HD1 TRP A 2 9.722 0.040 5.135 1.00 0.00 H ATOM 41 HE1 TRP A 2 8.402 0.101 7.344 1.00 0.00 H ATOM 42 HE3 TRP A 2 5.280 -1.879 3.483 1.00 0.00 H ATOM 43 HZ2 TRP A 2 5.822 -0.574 8.264 1.00 0.00 H ATOM 44 HZ3 TRP A 2 3.438 -2.140 5.092 1.00 0.00 H ATOM 45 HH2 TRP A 2 3.704 -1.501 7.433 1.00 0.00 H ATOM 46 N LYS A 3 9.160 1.581 0.371 1.00 0.00 N ATOM 47 CA LYS A 3 10.212 2.136 -0.505 1.00 0.00 C ATOM 48 C LYS A 3 9.451 2.473 -1.773 1.00 0.00 C ATOM 49 O LYS A 3 8.770 3.497 -1.830 1.00 0.00 O ATOM 50 CB LYS A 3 11.345 1.133 -0.773 1.00 0.00 C ATOM 51 CG LYS A 3 12.632 1.463 -0.031 1.00 0.00 C ATOM 52 CD LYS A 3 13.038 0.344 0.914 1.00 0.00 C ATOM 53 CE LYS A 3 14.545 0.302 1.110 1.00 0.00 C ATOM 54 NZ LYS A 3 14.994 1.255 2.161 1.00 0.00 N ATOM 55 H LYS A 3 8.245 1.899 0.221 1.00 0.00 H ATOM 56 HA LYS A 3 10.598 3.042 -0.058 1.00 0.00 H ATOM 57 HB2 LYS A 3 11.019 0.148 -0.475 1.00 0.00 H ATOM 58 HB3 LYS A 3 11.559 1.126 -1.831 1.00 0.00 H ATOM 59 HG2 LYS A 3 13.421 1.615 -0.751 1.00 0.00 H ATOM 60 HG3 LYS A 3 12.483 2.368 0.541 1.00 0.00 H ATOM 61 HD2 LYS A 3 12.565 0.505 1.870 1.00 0.00 H ATOM 62 HD3 LYS A 3 12.710 -0.599 0.501 1.00 0.00 H ATOM 63 HE2 LYS A 3 14.829 -0.699 1.400 1.00 0.00 H ATOM 64 HE3 LYS A 3 15.023 0.556 0.176 1.00 0.00 H ATOM 65 HZ1 LYS A 3 15.081 0.765 3.075 1.00 0.00 H ATOM 66 HZ2 LYS A 3 14.307 2.029 2.261 1.00 0.00 H ATOM 67 HZ3 LYS A 3 15.919 1.658 1.907 1.00 0.00 H HETATM 68 N UVR A 4 9.379 1.512 -2.696 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.145 1.439 -3.106 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.950 0.685 -1.996 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.679 0.046 -1.517 1.00 0.00 H HETATM 72 HN UVR A 4 9.801 0.659 -2.539 1.00 0.00 H HETATM 73 CA UVR A 4 8.474 1.652 -3.816 1.00 0.00 C HETATM 74 HA UVR A 4 8.556 2.645 -4.210 1.00 0.00 H HETATM 75 CB UVR A 4 8.714 0.584 -4.889 1.00 0.00 C HETATM 76 HB UVR A 4 7.791 0.411 -5.422 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.122 -0.640 -4.300 1.00 0.00 O HETATM 78 HG1 UVR A 4 10.044 -0.582 -4.041 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.766 0.981 -5.903 1.00 0.00 C HETATM 80 HG21 UVR A 4 10.549 1.540 -5.410 1.00 0.00 H HETATM 81 HG22 UVR A 4 9.315 1.593 -6.669 1.00 0.00 H HETATM 82 HG23 UVR A 4 10.186 0.094 -6.353 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 15 HETATM 1 NT1 UVR A 1 5.688 0.865 -1.618 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.093 1.729 -2.481 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.990 2.065 -3.404 1.00 0.00 N HETATM 4 CA UVR A 1 5.014 0.373 -0.405 1.00 0.00 C HETATM 5 HA UVR A 1 4.912 -0.705 -0.413 1.00 0.00 H HETATM 6 CB UVR A 1 3.638 1.022 -0.222 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.202 1.203 -1.193 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.758 1.963 0.294 1.00 0.00 H HETATM 9 CG UVR A 1 2.678 0.181 0.570 1.00 0.00 C HETATM 10 CD1 UVR A 1 3.086 -0.452 1.733 1.00 0.00 C HETATM 11 HD1 UVR A 1 4.106 -0.334 2.070 1.00 0.00 H HETATM 12 CD2 UVR A 1 1.368 0.022 0.150 1.00 0.00 C HETATM 13 HD2 UVR A 1 1.038 0.511 -0.756 1.00 0.00 H HETATM 14 CE1 UVR A 1 2.205 -1.226 2.463 1.00 0.00 C HETATM 15 HE1 UVR A 1 2.535 -1.715 3.368 1.00 0.00 H HETATM 16 CE2 UVR A 1 0.481 -0.751 0.875 1.00 0.00 C HETATM 17 HE2 UVR A 1 -0.538 -0.867 0.537 1.00 0.00 H HETATM 18 CZ UVR A 1 0.900 -1.376 2.033 1.00 0.00 C HETATM 19 HZ UVR A 1 0.210 -1.981 2.602 1.00 0.00 H HETATM 20 C UVR A 1 5.939 0.776 0.769 1.00 0.00 C HETATM 21 O UVR A 1 5.750 1.820 1.392 1.00 0.00 O ATOM 22 N TRP A 2 6.989 -0.032 0.994 1.00 0.00 N ATOM 23 CA TRP A 2 8.011 0.245 1.997 1.00 0.00 C ATOM 24 C TRP A 2 9.315 0.620 1.265 1.00 0.00 C ATOM 25 O TRP A 2 10.359 -0.011 1.435 1.00 0.00 O ATOM 26 CB TRP A 2 8.229 -0.969 2.903 1.00 0.00 C ATOM 27 CG TRP A 2 8.308 -0.618 4.358 1.00 0.00 C ATOM 28 CD1 TRP A 2 7.334 -0.795 5.298 1.00 0.00 C ATOM 29 CD2 TRP A 2 9.422 -0.028 5.038 1.00 0.00 C ATOM 30 NE1 TRP A 2 7.774 -0.351 6.522 1.00 0.00 N ATOM 31 CE2 TRP A 2 9.052 0.125 6.389 1.00 0.00 C ATOM 32 CE3 TRP A 2 10.695 0.386 4.637 1.00 0.00 C ATOM 33 CZ2 TRP A 2 9.911 0.672 7.338 1.00 0.00 C ATOM 34 CZ3 TRP A 2 11.546 0.930 5.581 1.00 0.00 C ATOM 35 CH2 TRP A 2 11.151 1.068 6.917 1.00 0.00 C ATOM 36 H TRP A 2 7.105 -0.808 0.435 1.00 0.00 H ATOM 37 HA TRP A 2 7.676 1.077 2.576 1.00 0.00 H ATOM 38 HB2 TRP A 2 7.410 -1.660 2.773 1.00 0.00 H ATOM 39 HB3 TRP A 2 9.152 -1.457 2.626 1.00 0.00 H ATOM 40 HD1 TRP A 2 6.363 -1.222 5.095 1.00 0.00 H ATOM 41 HE1 TRP A 2 7.257 -0.372 7.354 1.00 0.00 H ATOM 42 HE3 TRP A 2 11.017 0.287 3.611 1.00 0.00 H ATOM 43 HZ2 TRP A 2 9.622 0.786 8.373 1.00 0.00 H ATOM 44 HZ3 TRP A 2 12.534 1.255 5.289 1.00 0.00 H ATOM 45 HH2 TRP A 2 11.849 1.500 7.620 1.00 0.00 H ATOM 46 N LYS A 3 9.177 1.622 0.396 1.00 0.00 N ATOM 47 CA LYS A 3 10.225 2.151 -0.501 1.00 0.00 C ATOM 48 C LYS A 3 9.452 2.472 -1.767 1.00 0.00 C ATOM 49 O LYS A 3 8.766 3.493 -1.828 1.00 0.00 O ATOM 50 CB LYS A 3 11.343 1.128 -0.759 1.00 0.00 C ATOM 51 CG LYS A 3 12.276 1.516 -1.896 1.00 0.00 C ATOM 52 CD LYS A 3 13.236 2.618 -1.477 1.00 0.00 C ATOM 53 CE LYS A 3 14.108 2.185 -0.309 1.00 0.00 C ATOM 54 NZ LYS A 3 14.659 0.816 -0.505 1.00 0.00 N ATOM 55 H LYS A 3 8.283 2.015 0.313 1.00 0.00 H ATOM 56 HA LYS A 3 10.625 3.061 -0.075 1.00 0.00 H ATOM 57 HB2 LYS A 3 11.932 1.023 0.140 1.00 0.00 H ATOM 58 HB3 LYS A 3 10.896 0.174 -0.998 1.00 0.00 H ATOM 59 HG2 LYS A 3 12.847 0.649 -2.192 1.00 0.00 H ATOM 60 HG3 LYS A 3 11.685 1.863 -2.730 1.00 0.00 H ATOM 61 HD2 LYS A 3 13.871 2.865 -2.315 1.00 0.00 H ATOM 62 HD3 LYS A 3 12.665 3.488 -1.187 1.00 0.00 H ATOM 63 HE2 LYS A 3 14.927 2.882 -0.211 1.00 0.00 H ATOM 64 HE3 LYS A 3 13.514 2.200 0.593 1.00 0.00 H ATOM 65 HZ1 LYS A 3 15.219 0.777 -1.380 1.00 0.00 H ATOM 66 HZ2 LYS A 3 13.885 0.124 -0.570 1.00 0.00 H ATOM 67 HZ3 LYS A 3 15.271 0.559 0.297 1.00 0.00 H HETATM 68 N UVR A 4 9.381 1.507 -2.689 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.142 1.424 -3.097 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.946 0.675 -1.986 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.677 0.039 -1.501 1.00 0.00 H HETATM 72 HN UVR A 4 9.812 0.657 -2.532 1.00 0.00 H HETATM 73 CA UVR A 4 8.472 1.636 -3.807 1.00 0.00 C HETATM 74 HA UVR A 4 8.551 2.626 -4.210 1.00 0.00 H HETATM 75 CB UVR A 4 8.717 0.560 -4.870 1.00 0.00 C HETATM 76 HB UVR A 4 7.799 0.385 -5.410 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.118 -0.658 -4.268 1.00 0.00 O HETATM 78 HG1 UVR A 4 8.388 -1.281 -4.289 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.780 0.946 -5.877 1.00 0.00 C HETATM 80 HG21 UVR A 4 10.002 1.998 -5.780 1.00 0.00 H HETATM 81 HG22 UVR A 4 9.420 0.744 -6.874 1.00 0.00 H HETATM 82 HG23 UVR A 4 10.675 0.371 -5.693 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 16 HETATM 1 NT1 UVR A 1 5.691 0.864 -1.621 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.092 1.723 -2.487 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.990 2.060 -3.410 1.00 0.00 N HETATM 4 CA UVR A 1 5.016 0.372 -0.407 1.00 0.00 C HETATM 5 HA UVR A 1 4.914 -0.706 -0.414 1.00 0.00 H HETATM 6 CB UVR A 1 3.639 1.020 -0.230 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.001 0.724 -1.049 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.751 2.095 -0.238 1.00 0.00 H HETATM 9 CG UVR A 1 2.954 0.639 1.052 1.00 0.00 C HETATM 10 CD1 UVR A 1 2.319 1.597 1.825 1.00 0.00 C HETATM 11 HD1 UVR A 1 2.319 2.627 1.499 1.00 0.00 H HETATM 12 CD2 UVR A 1 2.945 -0.679 1.483 1.00 0.00 C HETATM 13 HD2 UVR A 1 3.438 -1.433 0.889 1.00 0.00 H HETATM 14 CE1 UVR A 1 1.686 1.249 3.004 1.00 0.00 C HETATM 15 HE1 UVR A 1 1.195 2.006 3.598 1.00 0.00 H HETATM 16 CE2 UVR A 1 2.315 -1.032 2.661 1.00 0.00 C HETATM 17 HE2 UVR A 1 2.316 -2.062 2.986 1.00 0.00 H HETATM 18 CZ UVR A 1 1.685 -0.068 3.422 1.00 0.00 C HETATM 19 HZ UVR A 1 1.192 -0.342 4.343 1.00 0.00 H HETATM 20 C UVR A 1 5.939 0.776 0.768 1.00 0.00 C HETATM 21 O UVR A 1 5.747 1.820 1.391 1.00 0.00 O ATOM 22 N TRP A 2 6.990 -0.031 0.996 1.00 0.00 N ATOM 23 CA TRP A 2 8.011 0.246 2.001 1.00 0.00 C ATOM 24 C TRP A 2 9.317 0.624 1.274 1.00 0.00 C ATOM 25 O TRP A 2 10.366 0.007 1.464 1.00 0.00 O ATOM 26 CB TRP A 2 8.230 -0.969 2.907 1.00 0.00 C ATOM 27 CG TRP A 2 9.336 -0.783 3.899 1.00 0.00 C ATOM 28 CD1 TRP A 2 9.289 -0.046 5.047 1.00 0.00 C ATOM 29 CD2 TRP A 2 10.654 -1.340 3.833 1.00 0.00 C ATOM 30 NE1 TRP A 2 10.496 -0.111 5.699 1.00 0.00 N ATOM 31 CE2 TRP A 2 11.350 -0.900 4.973 1.00 0.00 C ATOM 32 CE3 TRP A 2 11.311 -2.171 2.920 1.00 0.00 C ATOM 33 CZ2 TRP A 2 12.671 -1.261 5.225 1.00 0.00 C ATOM 34 CZ3 TRP A 2 12.622 -2.528 3.171 1.00 0.00 C ATOM 35 CH2 TRP A 2 13.290 -2.074 4.316 1.00 0.00 C ATOM 36 H TRP A 2 7.109 -0.806 0.435 1.00 0.00 H ATOM 37 HA TRP A 2 7.674 1.077 2.581 1.00 0.00 H ATOM 38 HB2 TRP A 2 7.321 -1.167 3.456 1.00 0.00 H ATOM 39 HB3 TRP A 2 8.468 -1.827 2.295 1.00 0.00 H ATOM 40 HD1 TRP A 2 8.420 0.503 5.380 1.00 0.00 H ATOM 41 HE1 TRP A 2 10.710 0.335 6.545 1.00 0.00 H ATOM 42 HE3 TRP A 2 10.813 -2.530 2.032 1.00 0.00 H ATOM 43 HZ2 TRP A 2 13.201 -0.920 6.102 1.00 0.00 H ATOM 44 HZ3 TRP A 2 13.147 -3.168 2.477 1.00 0.00 H ATOM 45 HH2 TRP A 2 14.315 -2.379 4.470 1.00 0.00 H ATOM 46 N LYS A 3 9.175 1.614 0.392 1.00 0.00 N ATOM 47 CA LYS A 3 10.224 2.147 -0.503 1.00 0.00 C ATOM 48 C LYS A 3 9.450 2.473 -1.768 1.00 0.00 C ATOM 49 O LYS A 3 8.761 3.492 -1.824 1.00 0.00 O ATOM 50 CB LYS A 3 11.340 1.127 -0.774 1.00 0.00 C ATOM 51 CG LYS A 3 12.551 1.295 0.130 1.00 0.00 C ATOM 52 CD LYS A 3 13.119 2.705 0.048 1.00 0.00 C ATOM 53 CE LYS A 3 12.936 3.457 1.357 1.00 0.00 C ATOM 54 NZ LYS A 3 12.724 4.915 1.135 1.00 0.00 N ATOM 55 H LYS A 3 8.277 1.997 0.298 1.00 0.00 H ATOM 56 HA LYS A 3 10.624 3.055 -0.075 1.00 0.00 H ATOM 57 HB2 LYS A 3 10.946 0.132 -0.632 1.00 0.00 H ATOM 58 HB3 LYS A 3 11.665 1.232 -1.798 1.00 0.00 H ATOM 59 HG2 LYS A 3 12.260 1.094 1.150 1.00 0.00 H ATOM 60 HG3 LYS A 3 13.314 0.592 -0.173 1.00 0.00 H ATOM 61 HD2 LYS A 3 14.174 2.645 -0.176 1.00 0.00 H ATOM 62 HD3 LYS A 3 12.611 3.243 -0.740 1.00 0.00 H ATOM 63 HE2 LYS A 3 12.079 3.053 1.873 1.00 0.00 H ATOM 64 HE3 LYS A 3 13.819 3.319 1.963 1.00 0.00 H ATOM 65 HZ1 LYS A 3 12.078 5.064 0.334 1.00 0.00 H ATOM 66 HZ2 LYS A 3 13.630 5.380 0.927 1.00 0.00 H ATOM 67 HZ3 LYS A 3 12.311 5.349 1.986 1.00 0.00 H HETATM 68 N UVR A 4 9.382 1.510 -2.691 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.143 1.424 -3.100 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.949 0.677 -1.985 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.682 0.047 -1.500 1.00 0.00 H HETATM 72 HN UVR A 4 9.815 0.661 -2.536 1.00 0.00 H HETATM 73 CA UVR A 4 8.472 1.640 -3.809 1.00 0.00 C HETATM 74 HA UVR A 4 8.550 2.632 -4.209 1.00 0.00 H HETATM 75 CB UVR A 4 8.718 0.568 -4.877 1.00 0.00 C HETATM 76 HB UVR A 4 7.799 0.393 -5.415 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.122 -0.653 -4.281 1.00 0.00 O HETATM 78 HG1 UVR A 4 10.045 -0.596 -4.021 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.777 0.962 -5.886 1.00 0.00 C HETATM 80 HG21 UVR A 4 9.685 0.339 -6.765 1.00 0.00 H HETATM 81 HG22 UVR A 4 10.756 0.828 -5.451 1.00 0.00 H HETATM 82 HG23 UVR A 4 9.643 1.997 -6.163 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 17 HETATM 1 NT1 UVR A 1 5.691 0.867 -1.621 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.093 1.732 -2.482 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.990 2.071 -3.406 1.00 0.00 N HETATM 4 CA UVR A 1 5.019 0.371 -0.409 1.00 0.00 C HETATM 5 HA UVR A 1 4.920 -0.707 -0.419 1.00 0.00 H HETATM 6 CB UVR A 1 3.640 1.014 -0.228 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.034 0.799 -1.095 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.759 2.083 -0.134 1.00 0.00 H HETATM 9 CG UVR A 1 2.904 0.523 0.987 1.00 0.00 C HETATM 10 CD1 UVR A 1 2.844 -0.830 1.277 1.00 0.00 C HETATM 11 HD1 UVR A 1 3.332 -1.534 0.619 1.00 0.00 H HETATM 12 CD2 UVR A 1 2.274 1.417 1.839 1.00 0.00 C HETATM 13 HD2 UVR A 1 2.314 2.474 1.623 1.00 0.00 H HETATM 14 CE1 UVR A 1 2.169 -1.284 2.393 1.00 0.00 C HETATM 15 HE1 UVR A 1 2.128 -2.342 2.607 1.00 0.00 H HETATM 16 CE2 UVR A 1 1.597 0.968 2.957 1.00 0.00 C HETATM 17 HE2 UVR A 1 1.110 1.673 3.613 1.00 0.00 H HETATM 18 CZ UVR A 1 1.544 -0.384 3.235 1.00 0.00 C HETATM 19 HZ UVR A 1 1.015 -0.737 4.108 1.00 0.00 H HETATM 20 C UVR A 1 5.940 0.774 0.768 1.00 0.00 C HETATM 21 O UVR A 1 5.745 1.817 1.393 1.00 0.00 O ATOM 22 N TRP A 2 6.992 -0.030 0.995 1.00 0.00 N ATOM 23 CA TRP A 2 8.010 0.248 2.004 1.00 0.00 C ATOM 24 C TRP A 2 9.318 0.628 1.281 1.00 0.00 C ATOM 25 O TRP A 2 10.370 0.024 1.485 1.00 0.00 O ATOM 26 CB TRP A 2 8.229 -0.967 2.909 1.00 0.00 C ATOM 27 CG TRP A 2 7.510 -0.868 4.220 1.00 0.00 C ATOM 28 CD1 TRP A 2 7.899 -0.150 5.314 1.00 0.00 C ATOM 29 CD2 TRP A 2 6.280 -1.509 4.575 1.00 0.00 C ATOM 30 NE1 TRP A 2 6.985 -0.305 6.328 1.00 0.00 N ATOM 31 CE2 TRP A 2 5.982 -1.134 5.899 1.00 0.00 C ATOM 32 CE3 TRP A 2 5.400 -2.361 3.902 1.00 0.00 C ATOM 33 CZ2 TRP A 2 4.841 -1.584 6.561 1.00 0.00 C ATOM 34 CZ3 TRP A 2 4.270 -2.807 4.561 1.00 0.00 C ATOM 35 CH2 TRP A 2 3.999 -2.417 5.878 1.00 0.00 C ATOM 36 H TRP A 2 7.113 -0.805 0.435 1.00 0.00 H ATOM 37 HA TRP A 2 7.669 1.078 2.584 1.00 0.00 H ATOM 38 HB2 TRP A 2 7.876 -1.853 2.402 1.00 0.00 H ATOM 39 HB3 TRP A 2 9.285 -1.070 3.113 1.00 0.00 H ATOM 40 HD1 TRP A 2 8.797 0.447 5.363 1.00 0.00 H ATOM 41 HE1 TRP A 2 7.042 0.110 7.214 1.00 0.00 H ATOM 42 HE3 TRP A 2 5.592 -2.673 2.885 1.00 0.00 H ATOM 43 HZ2 TRP A 2 4.618 -1.292 7.577 1.00 0.00 H ATOM 44 HZ3 TRP A 2 3.579 -3.467 4.056 1.00 0.00 H ATOM 45 HH2 TRP A 2 3.104 -2.790 6.353 1.00 0.00 H ATOM 46 N LYS A 3 9.173 1.609 0.390 1.00 0.00 N ATOM 47 CA LYS A 3 10.223 2.142 -0.504 1.00 0.00 C ATOM 48 C LYS A 3 9.450 2.472 -1.767 1.00 0.00 C ATOM 49 O LYS A 3 8.762 3.491 -1.822 1.00 0.00 O ATOM 50 CB LYS A 3 11.338 1.121 -0.774 1.00 0.00 C ATOM 51 CG LYS A 3 12.556 1.298 0.119 1.00 0.00 C ATOM 52 CD LYS A 3 13.113 2.711 0.035 1.00 0.00 C ATOM 53 CE LYS A 3 12.846 3.496 1.310 1.00 0.00 C ATOM 54 NZ LYS A 3 12.362 4.873 1.024 1.00 0.00 N ATOM 55 H LYS A 3 8.273 1.982 0.286 1.00 0.00 H ATOM 56 HA LYS A 3 10.624 3.049 -0.072 1.00 0.00 H ATOM 57 HB2 LYS A 3 10.947 0.127 -0.622 1.00 0.00 H ATOM 58 HB3 LYS A 3 11.655 1.219 -1.802 1.00 0.00 H ATOM 59 HG2 LYS A 3 12.275 1.093 1.141 1.00 0.00 H ATOM 60 HG3 LYS A 3 13.321 0.600 -0.191 1.00 0.00 H ATOM 61 HD2 LYS A 3 14.179 2.658 -0.125 1.00 0.00 H ATOM 62 HD3 LYS A 3 12.648 3.222 -0.796 1.00 0.00 H ATOM 63 HE2 LYS A 3 12.098 2.974 1.889 1.00 0.00 H ATOM 64 HE3 LYS A 3 13.763 3.556 1.878 1.00 0.00 H ATOM 65 HZ1 LYS A 3 12.696 5.530 1.758 1.00 0.00 H ATOM 66 HZ2 LYS A 3 11.322 4.891 1.007 1.00 0.00 H ATOM 67 HZ3 LYS A 3 12.717 5.192 0.100 1.00 0.00 H HETATM 68 N UVR A 4 9.381 1.511 -2.694 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.143 1.431 -3.100 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.948 0.679 -1.990 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.679 0.042 -1.508 1.00 0.00 H HETATM 72 HN UVR A 4 9.814 0.661 -2.541 1.00 0.00 H HETATM 73 CA UVR A 4 8.471 1.645 -3.811 1.00 0.00 C HETATM 74 HA UVR A 4 8.550 2.637 -4.211 1.00 0.00 H HETATM 75 CB UVR A 4 8.716 0.573 -4.879 1.00 0.00 C HETATM 76 HB UVR A 4 7.797 0.399 -5.418 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.118 -0.646 -4.281 1.00 0.00 O HETATM 78 HG1 UVR A 4 8.387 -1.014 -3.780 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.778 0.963 -5.884 1.00 0.00 C HETATM 80 HG21 UVR A 4 10.503 1.606 -5.410 1.00 0.00 H HETATM 81 HG22 UVR A 4 9.316 1.485 -6.710 1.00 0.00 H HETATM 82 HG23 UVR A 4 10.269 0.073 -6.252 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 18 HETATM 1 NT1 UVR A 1 5.691 0.872 -1.622 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.094 1.745 -2.477 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.991 2.086 -3.399 1.00 0.00 N HETATM 4 CA UVR A 1 5.018 0.371 -0.412 1.00 0.00 C HETATM 5 HA UVR A 1 4.921 -0.707 -0.427 1.00 0.00 H HETATM 6 CB UVR A 1 3.638 1.011 -0.231 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.045 0.824 -1.114 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.758 2.076 -0.103 1.00 0.00 H HETATM 9 CG UVR A 1 2.882 0.485 0.955 1.00 0.00 C HETATM 10 CD1 UVR A 1 2.321 1.355 1.877 1.00 0.00 C HETATM 11 HD1 UVR A 1 2.431 2.420 1.736 1.00 0.00 H HETATM 12 CD2 UVR A 1 2.733 -0.879 1.149 1.00 0.00 C HETATM 13 HD2 UVR A 1 3.166 -1.566 0.438 1.00 0.00 H HETATM 14 CE1 UVR A 1 1.625 0.874 2.970 1.00 0.00 C HETATM 15 HE1 UVR A 1 1.192 1.562 3.681 1.00 0.00 H HETATM 16 CE2 UVR A 1 2.038 -1.366 2.241 1.00 0.00 C HETATM 17 HE2 UVR A 1 1.929 -2.431 2.380 1.00 0.00 H HETATM 18 CZ UVR A 1 1.483 -0.489 3.152 1.00 0.00 C HETATM 19 HZ UVR A 1 0.940 -0.866 4.005 1.00 0.00 H HETATM 20 C UVR A 1 5.936 0.770 0.769 1.00 0.00 C HETATM 21 O UVR A 1 5.728 1.802 1.408 1.00 0.00 O ATOM 22 N TRP A 2 6.997 -0.028 0.991 1.00 0.00 N ATOM 23 CA TRP A 2 8.007 0.248 2.008 1.00 0.00 C ATOM 24 C TRP A 2 9.321 0.646 1.306 1.00 0.00 C ATOM 25 O TRP A 2 10.387 0.090 1.564 1.00 0.00 O ATOM 26 CB TRP A 2 8.228 -0.974 2.902 1.00 0.00 C ATOM 27 CG TRP A 2 7.309 -1.020 4.084 1.00 0.00 C ATOM 28 CD1 TRP A 2 7.426 -0.305 5.240 1.00 0.00 C ATOM 29 CD2 TRP A 2 6.134 -1.826 4.226 1.00 0.00 C ATOM 30 NE1 TRP A 2 6.394 -0.615 6.094 1.00 0.00 N ATOM 31 CE2 TRP A 2 5.588 -1.547 5.493 1.00 0.00 C ATOM 32 CE3 TRP A 2 5.489 -2.756 3.405 1.00 0.00 C ATOM 33 CZ2 TRP A 2 4.429 -2.164 5.958 1.00 0.00 C ATOM 34 CZ3 TRP A 2 4.338 -3.368 3.868 1.00 0.00 C ATOM 35 CH2 TRP A 2 3.818 -3.070 5.133 1.00 0.00 C ATOM 36 H TRP A 2 7.126 -0.796 0.424 1.00 0.00 H ATOM 37 HA TRP A 2 7.656 1.069 2.595 1.00 0.00 H ATOM 38 HB2 TRP A 2 8.069 -1.870 2.321 1.00 0.00 H ATOM 39 HB3 TRP A 2 9.244 -0.965 3.270 1.00 0.00 H ATOM 40 HD1 TRP A 2 8.219 0.400 5.442 1.00 0.00 H ATOM 41 HE1 TRP A 2 6.258 -0.232 6.985 1.00 0.00 H ATOM 42 HE3 TRP A 2 5.875 -2.999 2.426 1.00 0.00 H ATOM 43 HZ2 TRP A 2 4.015 -1.945 6.931 1.00 0.00 H ATOM 44 HZ3 TRP A 2 3.828 -4.089 3.247 1.00 0.00 H ATOM 45 HH2 TRP A 2 2.918 -3.572 5.454 1.00 0.00 H ATOM 46 N LYS A 3 9.170 1.588 0.375 1.00 0.00 N ATOM 47 CA LYS A 3 10.225 2.136 -0.506 1.00 0.00 C ATOM 48 C LYS A 3 9.460 2.474 -1.772 1.00 0.00 C ATOM 49 O LYS A 3 8.786 3.503 -1.832 1.00 0.00 O ATOM 50 CB LYS A 3 11.352 1.125 -0.777 1.00 0.00 C ATOM 51 CG LYS A 3 12.680 1.501 -0.133 1.00 0.00 C ATOM 52 CD LYS A 3 12.532 1.781 1.356 1.00 0.00 C ATOM 53 CE LYS A 3 12.990 0.598 2.194 1.00 0.00 C ATOM 54 NZ LYS A 3 14.397 0.754 2.655 1.00 0.00 N ATOM 55 H LYS A 3 8.260 1.928 0.237 1.00 0.00 H ATOM 56 HA LYS A 3 10.615 3.041 -0.063 1.00 0.00 H ATOM 57 HB2 LYS A 3 11.056 0.157 -0.406 1.00 0.00 H ATOM 58 HB3 LYS A 3 11.507 1.057 -1.843 1.00 0.00 H ATOM 59 HG2 LYS A 3 13.375 0.686 -0.266 1.00 0.00 H ATOM 60 HG3 LYS A 3 13.065 2.385 -0.619 1.00 0.00 H ATOM 61 HD2 LYS A 3 13.133 2.641 1.611 1.00 0.00 H ATOM 62 HD3 LYS A 3 11.495 1.987 1.575 1.00 0.00 H ATOM 63 HE2 LYS A 3 12.346 0.513 3.057 1.00 0.00 H ATOM 64 HE3 LYS A 3 12.911 -0.300 1.599 1.00 0.00 H ATOM 65 HZ1 LYS A 3 14.910 1.400 2.023 1.00 0.00 H ATOM 66 HZ2 LYS A 3 14.878 -0.168 2.654 1.00 0.00 H ATOM 67 HZ3 LYS A 3 14.416 1.141 3.620 1.00 0.00 H HETATM 68 N UVR A 4 9.375 1.511 -2.694 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.141 1.439 -3.100 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.946 0.681 -1.993 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.675 0.039 -1.516 1.00 0.00 H HETATM 72 HN UVR A 4 9.793 0.654 -2.536 1.00 0.00 H HETATM 73 CA UVR A 4 8.469 1.653 -3.812 1.00 0.00 C HETATM 74 HA UVR A 4 8.551 2.647 -4.205 1.00 0.00 H HETATM 75 CB UVR A 4 8.708 0.587 -4.886 1.00 0.00 C HETATM 76 HB UVR A 4 7.787 0.417 -5.423 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.112 -0.638 -4.299 1.00 0.00 O HETATM 78 HG1 UVR A 4 10.034 -0.583 -4.037 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.763 0.984 -5.897 1.00 0.00 C HETATM 80 HG21 UVR A 4 9.831 2.061 -5.944 1.00 0.00 H HETATM 81 HG22 UVR A 4 9.494 0.598 -6.870 1.00 0.00 H HETATM 82 HG23 UVR A 4 10.718 0.577 -5.600 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 19 HETATM 1 NT1 UVR A 1 5.691 0.874 -1.622 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.095 1.749 -2.475 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.991 2.090 -3.398 1.00 0.00 N HETATM 4 CA UVR A 1 5.018 0.372 -0.412 1.00 0.00 C HETATM 5 HA UVR A 1 4.921 -0.707 -0.428 1.00 0.00 H HETATM 6 CB UVR A 1 3.638 1.012 -0.231 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.008 0.736 -1.065 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.747 2.086 -0.209 1.00 0.00 H HETATM 9 CG UVR A 1 2.942 0.592 1.032 1.00 0.00 C HETATM 10 CD1 UVR A 1 2.503 -0.713 1.196 1.00 0.00 C HETATM 11 HD1 UVR A 1 2.664 -1.429 0.405 1.00 0.00 H HETATM 12 CD2 UVR A 1 2.730 1.501 2.056 1.00 0.00 C HETATM 13 HD2 UVR A 1 3.069 2.519 1.939 1.00 0.00 H HETATM 14 CE1 UVR A 1 1.863 -1.102 2.357 1.00 0.00 C HETATM 15 HE1 UVR A 1 1.525 -2.121 2.472 1.00 0.00 H HETATM 16 CE2 UVR A 1 2.091 1.117 3.220 1.00 0.00 C HETATM 17 HE2 UVR A 1 1.930 1.835 4.010 1.00 0.00 H HETATM 18 CZ UVR A 1 1.656 -0.186 3.372 1.00 0.00 C HETATM 19 HZ UVR A 1 1.157 -0.488 4.280 1.00 0.00 H HETATM 20 C UVR A 1 5.936 0.770 0.770 1.00 0.00 C HETATM 21 O UVR A 1 5.728 1.800 1.409 1.00 0.00 O ATOM 22 N TRP A 2 6.997 -0.027 0.990 1.00 0.00 N ATOM 23 CA TRP A 2 8.007 0.248 2.008 1.00 0.00 C ATOM 24 C TRP A 2 9.322 0.648 1.307 1.00 0.00 C ATOM 25 O TRP A 2 10.389 0.095 1.570 1.00 0.00 O ATOM 26 CB TRP A 2 8.227 -0.976 2.901 1.00 0.00 C ATOM 27 CG TRP A 2 7.302 -1.028 4.076 1.00 0.00 C ATOM 28 CD1 TRP A 2 7.411 -0.320 5.238 1.00 0.00 C ATOM 29 CD2 TRP A 2 6.124 -1.834 4.207 1.00 0.00 C ATOM 30 NE1 TRP A 2 6.374 -0.635 6.082 1.00 0.00 N ATOM 31 CE2 TRP A 2 5.571 -1.562 5.472 1.00 0.00 C ATOM 32 CE3 TRP A 2 5.483 -2.758 3.376 1.00 0.00 C ATOM 33 CZ2 TRP A 2 4.408 -2.180 5.924 1.00 0.00 C ATOM 34 CZ3 TRP A 2 4.329 -3.370 3.826 1.00 0.00 C ATOM 35 CH2 TRP A 2 3.802 -3.080 5.090 1.00 0.00 C ATOM 36 H TRP A 2 7.127 -0.795 0.422 1.00 0.00 H ATOM 37 HA TRP A 2 7.655 1.067 2.595 1.00 0.00 H ATOM 38 HB2 TRP A 2 8.076 -1.871 2.317 1.00 0.00 H ATOM 39 HB3 TRP A 2 9.241 -0.963 3.273 1.00 0.00 H ATOM 40 HD1 TRP A 2 8.204 0.382 5.449 1.00 0.00 H ATOM 41 HE1 TRP A 2 6.233 -0.257 6.975 1.00 0.00 H ATOM 42 HE3 TRP A 2 5.876 -2.994 2.397 1.00 0.00 H ATOM 43 HZ2 TRP A 2 3.988 -1.966 6.896 1.00 0.00 H ATOM 44 HZ3 TRP A 2 3.821 -4.087 3.197 1.00 0.00 H ATOM 45 HH2 TRP A 2 2.899 -3.583 5.402 1.00 0.00 H ATOM 46 N LYS A 3 9.169 1.586 0.374 1.00 0.00 N ATOM 47 CA LYS A 3 10.225 2.135 -0.506 1.00 0.00 C ATOM 48 C LYS A 3 9.460 2.475 -1.773 1.00 0.00 C ATOM 49 O LYS A 3 8.789 3.505 -1.833 1.00 0.00 O ATOM 50 CB LYS A 3 11.355 1.128 -0.777 1.00 0.00 C ATOM 51 CG LYS A 3 12.689 1.519 -0.153 1.00 0.00 C ATOM 52 CD LYS A 3 12.553 1.850 1.326 1.00 0.00 C ATOM 53 CE LYS A 3 13.162 0.765 2.203 1.00 0.00 C ATOM 54 NZ LYS A 3 12.868 -0.602 1.689 1.00 0.00 N ATOM 55 H LYS A 3 8.259 1.922 0.233 1.00 0.00 H ATOM 56 HA LYS A 3 10.614 3.041 -0.062 1.00 0.00 H ATOM 57 HB2 LYS A 3 11.068 0.163 -0.389 1.00 0.00 H ATOM 58 HB3 LYS A 3 11.497 1.045 -1.844 1.00 0.00 H ATOM 59 HG2 LYS A 3 13.380 0.696 -0.264 1.00 0.00 H ATOM 60 HG3 LYS A 3 13.074 2.384 -0.673 1.00 0.00 H ATOM 61 HD2 LYS A 3 13.062 2.782 1.523 1.00 0.00 H ATOM 62 HD3 LYS A 3 11.506 1.953 1.570 1.00 0.00 H ATOM 63 HE2 LYS A 3 14.233 0.905 2.235 1.00 0.00 H ATOM 64 HE3 LYS A 3 12.759 0.860 3.200 1.00 0.00 H ATOM 65 HZ1 LYS A 3 13.573 -0.873 0.973 1.00 0.00 H ATOM 66 HZ2 LYS A 3 11.923 -0.625 1.255 1.00 0.00 H ATOM 67 HZ3 LYS A 3 12.898 -1.290 2.467 1.00 0.00 H HETATM 68 N UVR A 4 9.375 1.511 -2.693 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.141 1.440 -3.100 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.945 0.681 -1.995 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.673 0.036 -1.519 1.00 0.00 H HETATM 72 HN UVR A 4 9.790 0.654 -2.533 1.00 0.00 H HETATM 73 CA UVR A 4 8.469 1.652 -3.811 1.00 0.00 C HETATM 74 HA UVR A 4 8.552 2.647 -4.204 1.00 0.00 H HETATM 75 CB UVR A 4 8.708 0.586 -4.886 1.00 0.00 C HETATM 76 HB UVR A 4 7.786 0.416 -5.421 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.111 -0.639 -4.297 1.00 0.00 O HETATM 78 HG1 UVR A 4 10.033 -0.584 -4.036 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.763 0.982 -5.897 1.00 0.00 C HETATM 80 HG21 UVR A 4 9.684 0.347 -6.766 1.00 0.00 H HETATM 81 HG22 UVR A 4 10.743 0.871 -5.457 1.00 0.00 H HETATM 82 HG23 UVR A 4 9.614 2.011 -6.188 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 20 HETATM 1 NT1 UVR A 1 5.686 0.864 -1.617 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.093 1.731 -2.481 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.993 2.064 -3.402 1.00 0.00 N HETATM 4 CA UVR A 1 5.011 0.372 -0.403 1.00 0.00 C HETATM 5 HA UVR A 1 4.913 -0.706 -0.410 1.00 0.00 H HETATM 6 CB UVR A 1 3.630 1.016 -0.220 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.350 1.516 -1.136 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.678 1.740 0.579 1.00 0.00 H HETATM 9 CG UVR A 1 2.549 0.030 0.117 1.00 0.00 C HETATM 10 CD1 UVR A 1 2.670 -0.803 1.219 1.00 0.00 C HETATM 11 HD1 UVR A 1 3.552 -0.737 1.838 1.00 0.00 H HETATM 12 CD2 UVR A 1 1.412 -0.066 -0.668 1.00 0.00 C HETATM 13 HD2 UVR A 1 1.307 0.578 -1.530 1.00 0.00 H HETATM 14 CE1 UVR A 1 1.675 -1.710 1.531 1.00 0.00 C HETATM 15 HE1 UVR A 1 1.782 -2.354 2.392 1.00 0.00 H HETATM 16 CE2 UVR A 1 0.414 -0.972 -0.361 1.00 0.00 C HETATM 17 HE2 UVR A 1 -0.468 -1.035 -0.981 1.00 0.00 H HETATM 18 CZ UVR A 1 0.546 -1.795 0.740 1.00 0.00 C HETATM 19 HZ UVR A 1 -0.232 -2.503 0.982 1.00 0.00 H HETATM 20 C UVR A 1 5.938 0.778 0.768 1.00 0.00 C HETATM 21 O UVR A 1 5.755 1.826 1.386 1.00 0.00 O ATOM 22 N TRP A 2 6.985 -0.032 0.995 1.00 0.00 N ATOM 23 CA TRP A 2 8.012 0.246 1.994 1.00 0.00 C ATOM 24 C TRP A 2 9.314 0.611 1.252 1.00 0.00 C ATOM 25 O TRP A 2 10.349 -0.038 1.403 1.00 0.00 O ATOM 26 CB TRP A 2 8.224 -0.965 2.909 1.00 0.00 C ATOM 27 CG TRP A 2 9.399 -0.823 3.828 1.00 0.00 C ATOM 28 CD1 TRP A 2 10.599 -1.467 3.735 1.00 0.00 C ATOM 29 CD2 TRP A 2 9.482 0.017 4.983 1.00 0.00 C ATOM 30 NE1 TRP A 2 11.425 -1.075 4.761 1.00 0.00 N ATOM 31 CE2 TRP A 2 10.762 -0.164 5.541 1.00 0.00 C ATOM 32 CE3 TRP A 2 8.598 0.906 5.597 1.00 0.00 C ATOM 33 CZ2 TRP A 2 11.177 0.512 6.685 1.00 0.00 C ATOM 34 CZ3 TRP A 2 9.011 1.577 6.733 1.00 0.00 C ATOM 35 CH2 TRP A 2 10.290 1.378 7.266 1.00 0.00 C ATOM 36 H TRP A 2 7.098 -0.810 0.438 1.00 0.00 H ATOM 37 HA TRP A 2 7.681 1.083 2.568 1.00 0.00 H ATOM 38 HB2 TRP A 2 7.343 -1.103 3.519 1.00 0.00 H ATOM 39 HB3 TRP A 2 8.378 -1.845 2.302 1.00 0.00 H ATOM 40 HD1 TRP A 2 10.850 -2.177 2.961 1.00 0.00 H ATOM 41 HE1 TRP A 2 12.339 -1.396 4.910 1.00 0.00 H ATOM 42 HE3 TRP A 2 7.607 1.071 5.199 1.00 0.00 H ATOM 43 HZ2 TRP A 2 12.160 0.370 7.108 1.00 0.00 H ATOM 44 HZ3 TRP A 2 8.340 2.269 7.222 1.00 0.00 H ATOM 45 HH2 TRP A 2 10.571 1.923 8.155 1.00 0.00 H ATOM 46 N LYS A 3 9.182 1.630 0.400 1.00 0.00 N ATOM 47 CA LYS A 3 10.228 2.156 -0.501 1.00 0.00 C ATOM 48 C LYS A 3 9.454 2.476 -1.767 1.00 0.00 C ATOM 49 O LYS A 3 8.770 3.497 -1.832 1.00 0.00 O ATOM 50 CB LYS A 3 11.344 1.135 -0.765 1.00 0.00 C ATOM 51 CG LYS A 3 12.481 1.202 0.242 1.00 0.00 C ATOM 52 CD LYS A 3 13.460 2.314 -0.098 1.00 0.00 C ATOM 53 CE LYS A 3 14.895 1.902 0.186 1.00 0.00 C ATOM 54 NZ LYS A 3 15.638 2.958 0.928 1.00 0.00 N ATOM 55 H LYS A 3 8.293 2.037 0.331 1.00 0.00 H ATOM 56 HA LYS A 3 10.629 3.066 -0.078 1.00 0.00 H ATOM 57 HB2 LYS A 3 10.922 0.141 -0.735 1.00 0.00 H ATOM 58 HB3 LYS A 3 11.753 1.312 -1.749 1.00 0.00 H ATOM 59 HG2 LYS A 3 12.070 1.386 1.223 1.00 0.00 H ATOM 60 HG3 LYS A 3 13.006 0.258 0.240 1.00 0.00 H ATOM 61 HD2 LYS A 3 13.366 2.555 -1.146 1.00 0.00 H ATOM 62 HD3 LYS A 3 13.219 3.185 0.496 1.00 0.00 H ATOM 63 HE2 LYS A 3 14.888 0.998 0.778 1.00 0.00 H ATOM 64 HE3 LYS A 3 15.395 1.713 -0.753 1.00 0.00 H ATOM 65 HZ1 LYS A 3 15.335 3.900 0.608 1.00 0.00 H ATOM 66 HZ2 LYS A 3 16.660 2.860 0.761 1.00 0.00 H ATOM 67 HZ3 LYS A 3 15.457 2.873 1.948 1.00 0.00 H HETATM 68 N UVR A 4 9.381 1.505 -2.683 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.142 1.419 -3.094 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.944 0.671 -1.983 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.672 0.033 -1.500 1.00 0.00 H HETATM 72 HN UVR A 4 9.810 0.657 -2.519 1.00 0.00 H HETATM 73 CA UVR A 4 8.472 1.629 -3.803 1.00 0.00 C HETATM 74 HA UVR A 4 8.552 2.618 -4.209 1.00 0.00 H HETATM 75 CB UVR A 4 8.719 0.550 -4.862 1.00 0.00 C HETATM 76 HB UVR A 4 7.802 0.375 -5.404 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.114 -0.669 -4.256 1.00 0.00 O HETATM 78 HG1 UVR A 4 10.037 -0.614 -3.992 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.784 0.931 -5.869 1.00 0.00 C HETATM 80 HG21 UVR A 4 9.573 0.454 -6.814 1.00 0.00 H HETATM 81 HG22 UVR A 4 10.751 0.607 -5.510 1.00 0.00 H HETATM 82 HG23 UVR A 4 9.790 2.003 -6.000 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 21 HETATM 1 NT1 UVR A 1 5.698 0.891 -1.627 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.106 1.797 -2.450 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.997 2.147 -3.375 1.00 0.00 N HETATM 4 CA UVR A 1 5.032 0.369 -0.423 1.00 0.00 C HETATM 5 HA UVR A 1 4.948 -0.711 -0.453 1.00 0.00 H HETATM 6 CB UVR A 1 3.643 0.985 -0.233 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.039 0.775 -1.105 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.743 2.055 -0.120 1.00 0.00 H HETATM 9 CG UVR A 1 2.915 0.460 0.971 1.00 0.00 C HETATM 10 CD1 UVR A 1 2.872 -0.900 1.232 1.00 0.00 C HETATM 11 HD1 UVR A 1 3.366 -1.584 0.558 1.00 0.00 H HETATM 12 CD2 UVR A 1 2.278 1.326 1.846 1.00 0.00 C HETATM 13 HD2 UVR A 1 2.305 2.389 1.652 1.00 0.00 H HETATM 14 CE1 UVR A 1 2.205 -1.387 2.340 1.00 0.00 C HETATM 15 HE1 UVR A 1 2.179 -2.450 2.531 1.00 0.00 H HETATM 16 CE2 UVR A 1 1.609 0.845 2.955 1.00 0.00 C HETATM 17 HE2 UVR A 1 1.116 1.530 3.628 1.00 0.00 H HETATM 18 CZ UVR A 1 1.573 -0.513 3.203 1.00 0.00 C HETATM 19 HZ UVR A 1 1.052 -0.892 4.070 1.00 0.00 H HETATM 20 C UVR A 1 5.940 0.761 0.768 1.00 0.00 C HETATM 21 O UVR A 1 5.709 1.774 1.428 1.00 0.00 O ATOM 22 N TRP A 2 7.012 -0.023 0.988 1.00 0.00 N ATOM 23 CA TRP A 2 8.003 0.251 2.028 1.00 0.00 C ATOM 24 C TRP A 2 9.325 0.702 1.372 1.00 0.00 C ATOM 25 O TRP A 2 10.418 0.295 1.765 1.00 0.00 O ATOM 26 CB TRP A 2 8.231 -0.989 2.895 1.00 0.00 C ATOM 27 CG TRP A 2 7.265 -1.103 4.035 1.00 0.00 C ATOM 28 CD1 TRP A 2 7.310 -0.421 5.216 1.00 0.00 C ATOM 29 CD2 TRP A 2 6.111 -1.949 4.102 1.00 0.00 C ATOM 30 NE1 TRP A 2 6.255 -0.791 6.015 1.00 0.00 N ATOM 31 CE2 TRP A 2 5.504 -1.728 5.353 1.00 0.00 C ATOM 32 CE3 TRP A 2 5.531 -2.871 3.226 1.00 0.00 C ATOM 33 CZ2 TRP A 2 4.348 -2.396 5.749 1.00 0.00 C ATOM 34 CZ3 TRP A 2 4.383 -3.534 3.620 1.00 0.00 C ATOM 35 CH2 TRP A 2 3.802 -3.293 4.872 1.00 0.00 C ATOM 36 H TRP A 2 7.158 -0.782 0.413 1.00 0.00 H ATOM 37 HA TRP A 2 7.619 1.044 2.630 1.00 0.00 H ATOM 38 HB2 TRP A 2 8.130 -1.873 2.282 1.00 0.00 H ATOM 39 HB3 TRP A 2 9.230 -0.953 3.305 1.00 0.00 H ATOM 40 HD1 TRP A 2 8.071 0.301 5.473 1.00 0.00 H ATOM 41 HE1 TRP A 2 6.069 -0.442 6.912 1.00 0.00 H ATOM 42 HE3 TRP A 2 5.964 -3.070 2.257 1.00 0.00 H ATOM 43 HZ2 TRP A 2 3.888 -2.220 6.710 1.00 0.00 H ATOM 44 HZ3 TRP A 2 3.921 -4.251 2.958 1.00 0.00 H ATOM 45 HH2 TRP A 2 2.906 -3.834 5.139 1.00 0.00 H ATOM 46 N LYS A 3 9.156 1.528 0.343 1.00 0.00 N ATOM 47 CA LYS A 3 10.215 2.105 -0.511 1.00 0.00 C ATOM 48 C LYS A 3 9.458 2.469 -1.775 1.00 0.00 C ATOM 49 O LYS A 3 8.789 3.501 -1.818 1.00 0.00 O ATOM 50 CB LYS A 3 11.356 1.110 -0.783 1.00 0.00 C ATOM 51 CG LYS A 3 12.630 1.767 -1.291 1.00 0.00 C ATOM 52 CD LYS A 3 12.369 2.640 -2.509 1.00 0.00 C ATOM 53 CE LYS A 3 13.652 3.269 -3.026 1.00 0.00 C ATOM 54 NZ LYS A 3 13.803 4.679 -2.570 1.00 0.00 N ATOM 55 H LYS A 3 8.230 1.762 0.116 1.00 0.00 H ATOM 56 HA LYS A 3 10.591 3.003 -0.041 1.00 0.00 H ATOM 57 HB2 LYS A 3 11.591 0.590 0.131 1.00 0.00 H ATOM 58 HB3 LYS A 3 11.030 0.391 -1.518 1.00 0.00 H ATOM 59 HG2 LYS A 3 13.045 2.380 -0.506 1.00 0.00 H ATOM 60 HG3 LYS A 3 13.337 0.996 -1.558 1.00 0.00 H ATOM 61 HD2 LYS A 3 11.936 2.032 -3.290 1.00 0.00 H ATOM 62 HD3 LYS A 3 11.678 3.425 -2.236 1.00 0.00 H ATOM 63 HE2 LYS A 3 14.491 2.692 -2.667 1.00 0.00 H ATOM 64 HE3 LYS A 3 13.639 3.248 -4.106 1.00 0.00 H ATOM 65 HZ1 LYS A 3 14.494 5.175 -3.169 1.00 0.00 H ATOM 66 HZ2 LYS A 3 14.135 4.702 -1.585 1.00 0.00 H ATOM 67 HZ3 LYS A 3 12.890 5.172 -2.629 1.00 0.00 H HETATM 68 N UVR A 4 9.371 1.521 -2.712 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.140 1.472 -3.107 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.944 0.688 -2.017 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.665 0.021 -1.564 1.00 0.00 H HETATM 72 HN UVR A 4 9.780 0.661 -2.567 1.00 0.00 H HETATM 73 CA UVR A 4 8.465 1.687 -3.825 1.00 0.00 C HETATM 74 HA UVR A 4 8.553 2.685 -4.206 1.00 0.00 H HETATM 75 CB UVR A 4 8.693 0.630 -4.912 1.00 0.00 C HETATM 76 HB UVR A 4 7.767 0.467 -5.444 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.096 -0.601 -4.338 1.00 0.00 O HETATM 78 HG1 UVR A 4 8.855 -1.322 -4.923 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.745 1.030 -5.925 1.00 0.00 C HETATM 80 HG21 UVR A 4 9.788 0.290 -6.709 1.00 0.00 H HETATM 81 HG22 UVR A 4 10.706 1.096 -5.437 1.00 0.00 H HETATM 82 HG23 UVR A 4 9.490 1.989 -6.348 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 22 HETATM 1 NT1 UVR A 1 5.687 0.863 -1.622 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.086 1.724 -2.485 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.983 2.066 -3.407 1.00 0.00 N HETATM 4 CA UVR A 1 5.017 0.362 -0.408 1.00 0.00 C HETATM 5 HA UVR A 1 4.933 -0.717 -0.418 1.00 0.00 H HETATM 6 CB UVR A 1 3.627 0.985 -0.226 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.436 1.671 -1.037 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.600 1.525 0.710 1.00 0.00 H HETATM 9 CG UVR A 1 2.520 -0.029 -0.205 1.00 0.00 C HETATM 10 CD1 UVR A 1 2.595 -1.138 0.624 1.00 0.00 C HETATM 11 HD1 UVR A 1 3.458 -1.266 1.260 1.00 0.00 H HETATM 12 CD2 UVR A 1 1.407 0.124 -1.016 1.00 0.00 C HETATM 13 HD2 UVR A 1 1.338 0.984 -1.665 1.00 0.00 H HETATM 14 CE1 UVR A 1 1.579 -2.075 0.643 1.00 0.00 C HETATM 15 HE1 UVR A 1 1.650 -2.934 1.293 1.00 0.00 H HETATM 16 CE2 UVR A 1 0.388 -0.810 -1.000 1.00 0.00 C HETATM 17 HE2 UVR A 1 -0.475 -0.680 -1.637 1.00 0.00 H HETATM 18 CZ UVR A 1 0.475 -1.911 -0.170 1.00 0.00 C HETATM 19 HZ UVR A 1 -0.320 -2.643 -0.156 1.00 0.00 H HETATM 20 C UVR A 1 5.936 0.774 0.767 1.00 0.00 C HETATM 21 O UVR A 1 5.742 1.821 1.385 1.00 0.00 O ATOM 22 N TRP A 2 6.988 -0.029 0.999 1.00 0.00 N ATOM 23 CA TRP A 2 8.008 0.255 2.004 1.00 0.00 C ATOM 24 C TRP A 2 9.314 0.622 1.271 1.00 0.00 C ATOM 25 O TRP A 2 10.356 -0.009 1.450 1.00 0.00 O ATOM 26 CB TRP A 2 8.227 -0.952 2.920 1.00 0.00 C ATOM 27 CG TRP A 2 7.247 -1.030 4.051 1.00 0.00 C ATOM 28 CD1 TRP A 2 6.156 -1.848 4.135 1.00 0.00 C ATOM 29 CD2 TRP A 2 7.268 -0.264 5.261 1.00 0.00 C ATOM 30 NE1 TRP A 2 5.499 -1.637 5.323 1.00 0.00 N ATOM 31 CE2 TRP A 2 6.162 -0.670 6.032 1.00 0.00 C ATOM 32 CE3 TRP A 2 8.116 0.725 5.769 1.00 0.00 C ATOM 33 CZ2 TRP A 2 5.883 -0.120 7.281 1.00 0.00 C ATOM 34 CZ3 TRP A 2 7.838 1.270 7.009 1.00 0.00 C ATOM 35 CH2 TRP A 2 6.730 0.846 7.753 1.00 0.00 C ATOM 36 H TRP A 2 7.109 -0.807 0.442 1.00 0.00 H ATOM 37 HA TRP A 2 7.671 1.092 2.576 1.00 0.00 H ATOM 38 HB2 TRP A 2 8.137 -1.857 2.337 1.00 0.00 H ATOM 39 HB3 TRP A 2 9.220 -0.899 3.340 1.00 0.00 H ATOM 40 HD1 TRP A 2 5.864 -2.553 3.371 1.00 0.00 H ATOM 41 HE1 TRP A 2 4.689 -2.104 5.616 1.00 0.00 H ATOM 42 HE3 TRP A 2 8.975 1.065 5.210 1.00 0.00 H ATOM 43 HZ2 TRP A 2 5.034 -0.437 7.868 1.00 0.00 H ATOM 44 HZ3 TRP A 2 8.482 2.035 7.415 1.00 0.00 H ATOM 45 HH2 TRP A 2 6.551 1.299 8.717 1.00 0.00 H ATOM 46 N LYS A 3 9.179 1.618 0.395 1.00 0.00 N ATOM 47 CA LYS A 3 10.231 2.139 -0.503 1.00 0.00 C ATOM 48 C LYS A 3 9.457 2.470 -1.768 1.00 0.00 C ATOM 49 O LYS A 3 8.773 3.493 -1.823 1.00 0.00 O ATOM 50 CB LYS A 3 11.337 1.105 -0.768 1.00 0.00 C ATOM 51 CG LYS A 3 12.489 1.177 0.222 1.00 0.00 C ATOM 52 CD LYS A 3 13.642 2.005 -0.324 1.00 0.00 C ATOM 53 CE LYS A 3 13.644 3.408 0.259 1.00 0.00 C ATOM 54 NZ LYS A 3 14.492 4.338 -0.537 1.00 0.00 N ATOM 55 H LYS A 3 8.286 2.013 0.307 1.00 0.00 H ATOM 56 HA LYS A 3 10.641 3.044 -0.078 1.00 0.00 H ATOM 57 HB2 LYS A 3 10.908 0.116 -0.715 1.00 0.00 H ATOM 58 HB3 LYS A 3 11.732 1.264 -1.760 1.00 0.00 H ATOM 59 HG2 LYS A 3 12.138 1.627 1.138 1.00 0.00 H ATOM 60 HG3 LYS A 3 12.842 0.176 0.423 1.00 0.00 H ATOM 61 HD2 LYS A 3 14.572 1.520 -0.072 1.00 0.00 H ATOM 62 HD3 LYS A 3 13.547 2.072 -1.398 1.00 0.00 H ATOM 63 HE2 LYS A 3 12.631 3.781 0.272 1.00 0.00 H ATOM 64 HE3 LYS A 3 14.024 3.364 1.269 1.00 0.00 H ATOM 65 HZ1 LYS A 3 15.366 3.859 -0.835 1.00 0.00 H ATOM 66 HZ2 LYS A 3 14.744 5.170 0.034 1.00 0.00 H ATOM 67 HZ3 LYS A 3 13.977 4.656 -1.383 1.00 0.00 H HETATM 68 N UVR A 4 9.381 1.510 -2.694 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.139 1.432 -3.099 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.945 0.681 -1.988 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.680 0.050 -1.503 1.00 0.00 H HETATM 72 HN UVR A 4 9.809 0.658 -2.540 1.00 0.00 H HETATM 73 CA UVR A 4 8.466 1.650 -3.810 1.00 0.00 C HETATM 74 HA UVR A 4 8.544 2.647 -4.199 1.00 0.00 H HETATM 75 CB UVR A 4 8.706 0.591 -4.895 1.00 0.00 C HETATM 76 HB UVR A 4 7.759 0.331 -5.349 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.266 -0.585 -4.335 1.00 0.00 O HETATM 78 HG1 UVR A 4 10.191 -0.433 -4.127 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.631 1.063 -5.996 1.00 0.00 C HETATM 80 HG21 UVR A 4 10.568 0.530 -5.933 1.00 0.00 H HETATM 81 HG22 UVR A 4 9.810 2.123 -5.887 1.00 0.00 H HETATM 82 HG23 UVR A 4 9.173 0.873 -6.957 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 23 HETATM 1 NT1 UVR A 1 5.688 0.864 -1.621 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.090 1.720 -2.492 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.988 2.056 -3.415 1.00 0.00 N HETATM 4 CA UVR A 1 5.015 0.373 -0.405 1.00 0.00 C HETATM 5 HA UVR A 1 4.917 -0.706 -0.413 1.00 0.00 H HETATM 6 CB UVR A 1 3.634 1.015 -0.219 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.446 1.695 -1.036 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.621 1.567 0.709 1.00 0.00 H HETATM 9 CG UVR A 1 2.511 0.019 -0.178 1.00 0.00 C HETATM 10 CD1 UVR A 1 2.494 -0.986 0.776 1.00 0.00 C HETATM 11 HD1 UVR A 1 3.297 -1.049 1.494 1.00 0.00 H HETATM 12 CD2 UVR A 1 1.472 0.088 -1.092 1.00 0.00 C HETATM 13 HD2 UVR A 1 1.475 0.867 -1.840 1.00 0.00 H HETATM 14 CE1 UVR A 1 1.462 -1.904 0.817 1.00 0.00 C HETATM 15 HE1 UVR A 1 1.460 -2.684 1.565 1.00 0.00 H HETATM 16 CE2 UVR A 1 0.437 -0.828 -1.056 1.00 0.00 C HETATM 17 HE2 UVR A 1 -0.366 -0.764 -1.775 1.00 0.00 H HETATM 18 CZ UVR A 1 0.432 -1.825 -0.101 1.00 0.00 C HETATM 19 HZ UVR A 1 -0.376 -2.541 -0.071 1.00 0.00 H HETATM 20 C UVR A 1 5.942 0.777 0.767 1.00 0.00 C HETATM 21 O UVR A 1 5.758 1.826 1.384 1.00 0.00 O ATOM 22 N TRP A 2 6.988 -0.033 0.998 1.00 0.00 N ATOM 23 CA TRP A 2 8.012 0.246 1.999 1.00 0.00 C ATOM 24 C TRP A 2 9.316 0.620 1.266 1.00 0.00 C ATOM 25 O TRP A 2 10.360 -0.008 1.440 1.00 0.00 O ATOM 26 CB TRP A 2 8.234 -0.968 2.905 1.00 0.00 C ATOM 27 CG TRP A 2 8.525 -0.602 4.329 1.00 0.00 C ATOM 28 CD1 TRP A 2 9.716 -0.168 4.836 1.00 0.00 C ATOM 29 CD2 TRP A 2 7.608 -0.638 5.428 1.00 0.00 C ATOM 30 NE1 TRP A 2 9.595 0.068 6.184 1.00 0.00 N ATOM 31 CE2 TRP A 2 8.311 -0.212 6.571 1.00 0.00 C ATOM 32 CE3 TRP A 2 6.261 -0.986 5.557 1.00 0.00 C ATOM 33 CZ2 TRP A 2 7.712 -0.127 7.825 1.00 0.00 C ATOM 34 CZ3 TRP A 2 5.667 -0.902 6.803 1.00 0.00 C ATOM 35 CH2 TRP A 2 6.392 -0.475 7.922 1.00 0.00 C ATOM 36 H TRP A 2 7.102 -0.813 0.442 1.00 0.00 H ATOM 37 HA TRP A 2 7.677 1.077 2.579 1.00 0.00 H ATOM 38 HB2 TRP A 2 7.348 -1.584 2.894 1.00 0.00 H ATOM 39 HB3 TRP A 2 9.070 -1.540 2.529 1.00 0.00 H ATOM 40 HD1 TRP A 2 10.613 -0.036 4.251 1.00 0.00 H ATOM 41 HE1 TRP A 2 10.312 0.387 6.772 1.00 0.00 H ATOM 42 HE3 TRP A 2 5.685 -1.318 4.705 1.00 0.00 H ATOM 43 HZ2 TRP A 2 8.257 0.200 8.699 1.00 0.00 H ATOM 44 HZ3 TRP A 2 4.627 -1.169 6.922 1.00 0.00 H ATOM 45 HH2 TRP A 2 5.888 -0.425 8.876 1.00 0.00 H ATOM 46 N LYS A 3 9.176 1.620 0.395 1.00 0.00 N ATOM 47 CA LYS A 3 10.224 2.149 -0.501 1.00 0.00 C ATOM 48 C LYS A 3 9.450 2.472 -1.767 1.00 0.00 C ATOM 49 O LYS A 3 8.760 3.491 -1.826 1.00 0.00 O ATOM 50 CB LYS A 3 11.337 1.125 -0.767 1.00 0.00 C ATOM 51 CG LYS A 3 12.488 1.209 0.221 1.00 0.00 C ATOM 52 CD LYS A 3 13.632 2.047 -0.326 1.00 0.00 C ATOM 53 CE LYS A 3 14.885 1.903 0.523 1.00 0.00 C ATOM 54 NZ LYS A 3 16.125 2.103 -0.278 1.00 0.00 N ATOM 55 H LYS A 3 8.281 2.011 0.310 1.00 0.00 H ATOM 56 HA LYS A 3 10.626 3.057 -0.076 1.00 0.00 H ATOM 57 HB2 LYS A 3 10.918 0.132 -0.715 1.00 0.00 H ATOM 58 HB3 LYS A 3 11.730 1.288 -1.760 1.00 0.00 H ATOM 59 HG2 LYS A 3 12.133 1.657 1.136 1.00 0.00 H ATOM 60 HG3 LYS A 3 12.850 0.211 0.424 1.00 0.00 H ATOM 61 HD2 LYS A 3 13.853 1.726 -1.332 1.00 0.00 H ATOM 62 HD3 LYS A 3 13.332 3.085 -0.335 1.00 0.00 H ATOM 63 HE2 LYS A 3 14.856 2.638 1.313 1.00 0.00 H ATOM 64 HE3 LYS A 3 14.900 0.913 0.954 1.00 0.00 H ATOM 65 HZ1 LYS A 3 16.458 3.083 -0.181 1.00 0.00 H ATOM 66 HZ2 LYS A 3 15.937 1.908 -1.282 1.00 0.00 H ATOM 67 HZ3 LYS A 3 16.872 1.459 0.055 1.00 0.00 H HETATM 68 N UVR A 4 9.382 1.509 -2.690 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.142 1.423 -3.101 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.947 0.679 -1.984 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.681 0.051 -1.496 1.00 0.00 H HETATM 72 HN UVR A 4 9.816 0.660 -2.534 1.00 0.00 H HETATM 73 CA UVR A 4 8.473 1.638 -3.809 1.00 0.00 C HETATM 74 HA UVR A 4 8.551 2.629 -4.211 1.00 0.00 H HETATM 75 CB UVR A 4 8.721 0.563 -4.872 1.00 0.00 C HETATM 76 HB UVR A 4 7.805 0.388 -5.415 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.120 -0.656 -4.270 1.00 0.00 O HETATM 78 HG1 UVR A 4 8.354 -1.222 -4.154 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.786 0.950 -5.876 1.00 0.00 C HETATM 80 HG21 UVR A 4 10.461 0.120 -6.022 1.00 0.00 H HETATM 81 HG22 UVR A 4 10.338 1.801 -5.504 1.00 0.00 H HETATM 82 HG23 UVR A 4 9.320 1.205 -6.816 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 24 HETATM 1 NT1 UVR A 1 5.691 0.867 -1.621 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.093 1.730 -2.483 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.990 2.068 -3.406 1.00 0.00 N HETATM 4 CA UVR A 1 5.018 0.372 -0.408 1.00 0.00 C HETATM 5 HA UVR A 1 4.920 -0.707 -0.418 1.00 0.00 H HETATM 6 CB UVR A 1 3.640 1.013 -0.226 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.608 1.943 -0.775 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.479 1.216 0.823 1.00 0.00 H HETATM 9 CG UVR A 1 2.508 0.152 -0.708 1.00 0.00 C HETATM 10 CD1 UVR A 1 2.580 -0.485 -1.937 1.00 0.00 C HETATM 11 HD1 UVR A 1 3.460 -0.357 -2.550 1.00 0.00 H HETATM 12 CD2 UVR A 1 1.374 -0.022 0.068 1.00 0.00 C HETATM 13 HD2 UVR A 1 1.308 0.469 1.028 1.00 0.00 H HETATM 14 CE1 UVR A 1 1.541 -1.279 -2.382 1.00 0.00 C HETATM 15 HE1 UVR A 1 1.608 -1.770 -3.342 1.00 0.00 H HETATM 16 CE2 UVR A 1 0.332 -0.815 -0.372 1.00 0.00 C HETATM 17 HE2 UVR A 1 -0.548 -0.943 0.243 1.00 0.00 H HETATM 18 CZ UVR A 1 0.415 -1.445 -1.599 1.00 0.00 C HETATM 19 HZ UVR A 1 -0.399 -2.065 -1.945 1.00 0.00 H HETATM 20 C UVR A 1 5.940 0.774 0.768 1.00 0.00 C HETATM 21 O UVR A 1 5.746 1.817 1.394 1.00 0.00 O ATOM 22 N TRP A 2 6.992 -0.030 0.996 1.00 0.00 N ATOM 23 CA TRP A 2 8.010 0.247 2.004 1.00 0.00 C ATOM 24 C TRP A 2 9.318 0.629 1.280 1.00 0.00 C ATOM 25 O TRP A 2 10.371 0.023 1.482 1.00 0.00 O ATOM 26 CB TRP A 2 8.227 -0.970 2.907 1.00 0.00 C ATOM 27 CG TRP A 2 8.270 -0.627 4.365 1.00 0.00 C ATOM 28 CD1 TRP A 2 7.206 -0.526 5.215 1.00 0.00 C ATOM 29 CD2 TRP A 2 9.437 -0.338 5.145 1.00 0.00 C ATOM 30 NE1 TRP A 2 7.640 -0.193 6.476 1.00 0.00 N ATOM 31 CE2 TRP A 2 9.005 -0.072 6.458 1.00 0.00 C ATOM 32 CE3 TRP A 2 10.804 -0.280 4.860 1.00 0.00 C ATOM 33 CZ2 TRP A 2 9.892 0.247 7.483 1.00 0.00 C ATOM 34 CZ3 TRP A 2 11.683 0.037 5.878 1.00 0.00 C ATOM 35 CH2 TRP A 2 11.224 0.296 7.176 1.00 0.00 C ATOM 36 H TRP A 2 7.112 -0.805 0.436 1.00 0.00 H ATOM 37 HA TRP A 2 7.668 1.076 2.584 1.00 0.00 H ATOM 38 HB2 TRP A 2 7.419 -1.671 2.755 1.00 0.00 H ATOM 39 HB3 TRP A 2 9.162 -1.443 2.647 1.00 0.00 H ATOM 40 HD1 TRP A 2 6.178 -0.687 4.925 1.00 0.00 H ATOM 41 HE1 TRP A 2 7.066 -0.064 7.260 1.00 0.00 H ATOM 42 HE3 TRP A 2 11.176 -0.477 3.865 1.00 0.00 H ATOM 43 HZ2 TRP A 2 9.554 0.449 8.489 1.00 0.00 H ATOM 44 HZ3 TRP A 2 12.743 0.087 5.677 1.00 0.00 H ATOM 45 HH2 TRP A 2 11.947 0.540 7.941 1.00 0.00 H ATOM 46 N LYS A 3 9.173 1.609 0.389 1.00 0.00 N ATOM 47 CA LYS A 3 10.222 2.143 -0.504 1.00 0.00 C ATOM 48 C LYS A 3 9.451 2.472 -1.768 1.00 0.00 C ATOM 49 O LYS A 3 8.763 3.492 -1.824 1.00 0.00 O ATOM 50 CB LYS A 3 11.338 1.122 -0.772 1.00 0.00 C ATOM 51 CG LYS A 3 12.541 1.280 0.142 1.00 0.00 C ATOM 52 CD LYS A 3 13.234 2.618 -0.073 1.00 0.00 C ATOM 53 CE LYS A 3 13.344 3.408 1.222 1.00 0.00 C ATOM 54 NZ LYS A 3 14.650 4.112 1.333 1.00 0.00 N ATOM 55 H LYS A 3 8.273 1.984 0.287 1.00 0.00 H ATOM 56 HA LYS A 3 10.624 3.049 -0.072 1.00 0.00 H ATOM 57 HB2 LYS A 3 10.940 0.127 -0.640 1.00 0.00 H ATOM 58 HB3 LYS A 3 11.672 1.232 -1.794 1.00 0.00 H ATOM 59 HG2 LYS A 3 12.213 1.218 1.169 1.00 0.00 H ATOM 60 HG3 LYS A 3 13.243 0.485 -0.062 1.00 0.00 H ATOM 61 HD2 LYS A 3 14.227 2.440 -0.458 1.00 0.00 H ATOM 62 HD3 LYS A 3 12.667 3.196 -0.789 1.00 0.00 H ATOM 63 HE2 LYS A 3 12.548 4.136 1.253 1.00 0.00 H ATOM 64 HE3 LYS A 3 13.240 2.726 2.053 1.00 0.00 H ATOM 65 HZ1 LYS A 3 14.912 4.525 0.414 1.00 0.00 H ATOM 66 HZ2 LYS A 3 15.393 3.445 1.624 1.00 0.00 H ATOM 67 HZ3 LYS A 3 14.587 4.874 2.038 1.00 0.00 H HETATM 68 N UVR A 4 9.381 1.511 -2.693 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.143 1.430 -3.100 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.948 0.679 -1.988 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.681 0.045 -1.505 1.00 0.00 H HETATM 72 HN UVR A 4 9.814 0.660 -2.539 1.00 0.00 H HETATM 73 CA UVR A 4 8.472 1.644 -3.811 1.00 0.00 C HETATM 74 HA UVR A 4 8.551 2.635 -4.210 1.00 0.00 H HETATM 75 CB UVR A 4 8.715 0.572 -4.877 1.00 0.00 C HETATM 76 HB UVR A 4 7.796 0.397 -5.416 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.119 -0.647 -4.279 1.00 0.00 O HETATM 78 HG1 UVR A 4 8.403 -0.990 -3.737 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.776 0.960 -5.885 1.00 0.00 C HETATM 80 HG21 UVR A 4 9.726 2.023 -6.068 1.00 0.00 H HETATM 81 HG22 UVR A 4 9.607 0.428 -6.810 1.00 0.00 H HETATM 82 HG23 UVR A 4 10.751 0.706 -5.498 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 25 HETATM 1 NT1 UVR A 1 5.687 0.863 -1.617 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.093 1.726 -2.483 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.991 2.058 -3.405 1.00 0.00 N HETATM 4 CA UVR A 1 5.012 0.375 -0.402 1.00 0.00 C HETATM 5 HA UVR A 1 4.908 -0.704 -0.409 1.00 0.00 H HETATM 6 CB UVR A 1 3.636 1.025 -0.224 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.751 2.099 -0.226 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.219 0.715 0.723 1.00 0.00 H HETATM 9 CG UVR A 1 2.657 0.659 -1.302 1.00 0.00 C HETATM 10 CD1 UVR A 1 2.352 -0.668 -1.558 1.00 0.00 C HETATM 11 HD1 UVR A 1 2.824 -1.442 -0.972 1.00 0.00 H HETATM 12 CD2 UVR A 1 2.043 1.642 -2.061 1.00 0.00 C HETATM 13 HD2 UVR A 1 2.274 2.680 -1.870 1.00 0.00 H HETATM 14 CE1 UVR A 1 1.453 -1.008 -2.550 1.00 0.00 C HETATM 15 HE1 UVR A 1 1.224 -2.046 -2.740 1.00 0.00 H HETATM 16 CE2 UVR A 1 1.143 1.308 -3.056 1.00 0.00 C HETATM 17 HE2 UVR A 1 0.671 2.084 -3.640 1.00 0.00 H HETATM 18 CZ UVR A 1 0.847 -0.019 -3.300 1.00 0.00 C HETATM 19 HZ UVR A 1 0.144 -0.282 -4.076 1.00 0.00 H HETATM 20 C UVR A 1 5.937 0.777 0.769 1.00 0.00 C HETATM 21 O UVR A 1 5.752 1.824 1.391 1.00 0.00 O ATOM 22 N TRP A 2 6.985 -0.032 0.994 1.00 0.00 N ATOM 23 CA TRP A 2 8.012 0.242 1.992 1.00 0.00 C ATOM 24 C TRP A 2 9.315 0.612 1.252 1.00 0.00 C ATOM 25 O TRP A 2 10.351 -0.036 1.399 1.00 0.00 O ATOM 26 CB TRP A 2 8.223 -0.974 2.902 1.00 0.00 C ATOM 27 CG TRP A 2 9.398 -0.843 3.822 1.00 0.00 C ATOM 28 CD1 TRP A 2 9.471 -0.081 4.950 1.00 0.00 C ATOM 29 CD2 TRP A 2 10.667 -1.495 3.693 1.00 0.00 C ATOM 30 NE1 TRP A 2 10.709 -0.215 5.531 1.00 0.00 N ATOM 31 CE2 TRP A 2 11.461 -1.079 4.778 1.00 0.00 C ATOM 32 CE3 TRP A 2 11.208 -2.389 2.765 1.00 0.00 C ATOM 33 CZ2 TRP A 2 12.767 -1.527 4.960 1.00 0.00 C ATOM 34 CZ3 TRP A 2 12.504 -2.834 2.946 1.00 0.00 C ATOM 35 CH2 TRP A 2 13.270 -2.403 4.036 1.00 0.00 C ATOM 36 H TRP A 2 7.099 -0.808 0.433 1.00 0.00 H ATOM 37 HA TRP A 2 7.682 1.078 2.571 1.00 0.00 H ATOM 38 HB2 TRP A 2 7.344 -1.114 3.510 1.00 0.00 H ATOM 39 HB3 TRP A 2 8.374 -1.850 2.289 1.00 0.00 H ATOM 40 HD1 TRP A 2 8.665 0.535 5.320 1.00 0.00 H ATOM 41 HE1 TRP A 2 11.004 0.232 6.352 1.00 0.00 H ATOM 42 HE3 TRP A 2 10.632 -2.732 1.919 1.00 0.00 H ATOM 43 HZ2 TRP A 2 13.372 -1.205 5.795 1.00 0.00 H ATOM 44 HZ3 TRP A 2 12.939 -3.525 2.239 1.00 0.00 H ATOM 45 HH2 TRP A 2 14.280 -2.776 4.138 1.00 0.00 H ATOM 46 N LYS A 3 9.182 1.631 0.400 1.00 0.00 N ATOM 47 CA LYS A 3 10.227 2.158 -0.500 1.00 0.00 C ATOM 48 C LYS A 3 9.454 2.475 -1.768 1.00 0.00 C ATOM 49 O LYS A 3 8.770 3.496 -1.835 1.00 0.00 O ATOM 50 CB LYS A 3 11.349 1.140 -0.756 1.00 0.00 C ATOM 51 CG LYS A 3 12.282 1.532 -1.890 1.00 0.00 C ATOM 52 CD LYS A 3 12.991 2.845 -1.599 1.00 0.00 C ATOM 53 CE LYS A 3 14.360 2.613 -0.984 1.00 0.00 C ATOM 54 NZ LYS A 3 14.314 2.654 0.504 1.00 0.00 N ATOM 55 H LYS A 3 8.293 2.037 0.331 1.00 0.00 H ATOM 56 HA LYS A 3 10.625 3.071 -0.077 1.00 0.00 H ATOM 57 HB2 LYS A 3 11.937 1.035 0.145 1.00 0.00 H ATOM 58 HB3 LYS A 3 10.905 0.185 -0.996 1.00 0.00 H ATOM 59 HG2 LYS A 3 13.022 0.756 -2.019 1.00 0.00 H ATOM 60 HG3 LYS A 3 11.706 1.636 -2.798 1.00 0.00 H ATOM 61 HD2 LYS A 3 13.110 3.391 -2.523 1.00 0.00 H ATOM 62 HD3 LYS A 3 12.389 3.422 -0.912 1.00 0.00 H ATOM 63 HE2 LYS A 3 14.724 1.647 -1.297 1.00 0.00 H ATOM 64 HE3 LYS A 3 15.034 3.382 -1.335 1.00 0.00 H ATOM 65 HZ1 LYS A 3 15.183 3.087 0.878 1.00 0.00 H ATOM 66 HZ2 LYS A 3 14.230 1.690 0.885 1.00 0.00 H ATOM 67 HZ3 LYS A 3 13.496 3.212 0.822 1.00 0.00 H HETATM 68 N UVR A 4 9.381 1.504 -2.682 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.143 1.418 -3.095 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.945 0.673 -1.981 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.675 0.037 -1.496 1.00 0.00 H HETATM 72 HN UVR A 4 9.810 0.656 -2.519 1.00 0.00 H HETATM 73 CA UVR A 4 8.473 1.628 -3.803 1.00 0.00 C HETATM 74 HA UVR A 4 8.552 2.615 -4.210 1.00 0.00 H HETATM 75 CB UVR A 4 8.718 0.546 -4.862 1.00 0.00 C HETATM 76 HB UVR A 4 7.804 0.377 -5.408 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.102 -0.676 -4.253 1.00 0.00 O HETATM 78 HG1 UVR A 4 10.024 -0.630 -3.989 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.792 0.920 -5.863 1.00 0.00 C HETATM 80 HG21 UVR A 4 9.447 0.696 -6.861 1.00 0.00 H HETATM 81 HG22 UVR A 4 10.689 0.356 -5.656 1.00 0.00 H HETATM 82 HG23 UVR A 4 10.004 1.976 -5.784 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 26 HETATM 1 NT1 UVR A 1 5.683 0.860 -1.619 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.084 1.708 -2.497 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.984 2.041 -3.420 1.00 0.00 N HETATM 4 CA UVR A 1 5.009 0.374 -0.400 1.00 0.00 C HETATM 5 HA UVR A 1 4.906 -0.705 -0.405 1.00 0.00 H HETATM 6 CB UVR A 1 3.632 1.024 -0.211 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.435 1.686 -1.041 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.632 1.594 0.705 1.00 0.00 H HETATM 9 CG UVR A 1 2.506 0.031 -0.134 1.00 0.00 C HETATM 10 CD1 UVR A 1 2.589 -1.068 0.705 1.00 0.00 C HETATM 11 HD1 UVR A 1 3.474 -1.209 1.308 1.00 0.00 H HETATM 12 CD2 UVR A 1 1.365 0.200 -0.902 1.00 0.00 C HETATM 13 HD2 UVR A 1 1.289 1.053 -1.559 1.00 0.00 H HETATM 14 CE1 UVR A 1 1.555 -1.981 0.777 1.00 0.00 C HETATM 15 HE1 UVR A 1 1.631 -2.835 1.435 1.00 0.00 H HETATM 16 CE2 UVR A 1 0.327 -0.710 -0.834 1.00 0.00 C HETATM 17 HE2 UVR A 1 -0.557 -0.568 -1.437 1.00 0.00 H HETATM 18 CZ UVR A 1 0.423 -1.802 0.007 1.00 0.00 C HETATM 19 HZ UVR A 1 -0.388 -2.515 0.062 1.00 0.00 H HETATM 20 C UVR A 1 5.941 0.778 0.766 1.00 0.00 C HETATM 21 O UVR A 1 5.762 1.830 1.380 1.00 0.00 O ATOM 22 N TRP A 2 6.984 -0.035 0.995 1.00 0.00 N ATOM 23 CA TRP A 2 8.011 0.244 1.992 1.00 0.00 C ATOM 24 C TRP A 2 9.314 0.613 1.254 1.00 0.00 C ATOM 25 O TRP A 2 10.348 -0.033 1.411 1.00 0.00 O ATOM 26 CB TRP A 2 8.232 -0.966 2.903 1.00 0.00 C ATOM 27 CG TRP A 2 9.323 -0.765 3.909 1.00 0.00 C ATOM 28 CD1 TRP A 2 9.248 -0.048 5.068 1.00 0.00 C ATOM 29 CD2 TRP A 2 10.655 -1.290 3.847 1.00 0.00 C ATOM 30 NE1 TRP A 2 10.451 -0.094 5.730 1.00 0.00 N ATOM 31 CE2 TRP A 2 11.331 -0.850 5.001 1.00 0.00 C ATOM 32 CE3 TRP A 2 11.342 -2.089 2.928 1.00 0.00 C ATOM 33 CZ2 TRP A 2 12.659 -1.182 5.259 1.00 0.00 C ATOM 34 CZ3 TRP A 2 12.659 -2.419 3.186 1.00 0.00 C ATOM 35 CH2 TRP A 2 13.306 -1.966 4.343 1.00 0.00 C ATOM 36 H TRP A 2 7.094 -0.817 0.441 1.00 0.00 H ATOM 37 HA TRP A 2 7.680 1.079 2.568 1.00 0.00 H ATOM 38 HB2 TRP A 2 7.319 -1.172 3.441 1.00 0.00 H ATOM 39 HB3 TRP A 2 8.488 -1.822 2.297 1.00 0.00 H ATOM 40 HD1 TRP A 2 8.364 0.474 5.402 1.00 0.00 H ATOM 41 HE1 TRP A 2 10.646 0.344 6.585 1.00 0.00 H ATOM 42 HE3 TRP A 2 10.860 -2.447 2.031 1.00 0.00 H ATOM 43 HZ2 TRP A 2 13.171 -0.842 6.148 1.00 0.00 H ATOM 44 HZ3 TRP A 2 13.205 -3.035 2.488 1.00 0.00 H ATOM 45 HH2 TRP A 2 14.336 -2.248 4.504 1.00 0.00 H ATOM 46 N LYS A 3 9.182 1.628 0.399 1.00 0.00 N ATOM 47 CA LYS A 3 10.228 2.160 -0.499 1.00 0.00 C ATOM 48 C LYS A 3 9.452 2.474 -1.767 1.00 0.00 C ATOM 49 O LYS A 3 8.765 3.492 -1.832 1.00 0.00 O ATOM 50 CB LYS A 3 11.358 1.147 -0.766 1.00 0.00 C ATOM 51 CG LYS A 3 12.542 1.237 0.199 1.00 0.00 C ATOM 52 CD LYS A 3 12.867 2.671 0.602 1.00 0.00 C ATOM 53 CE LYS A 3 13.098 3.563 -0.608 1.00 0.00 C ATOM 54 NZ LYS A 3 12.682 4.969 -0.347 1.00 0.00 N ATOM 55 H LYS A 3 8.291 2.032 0.327 1.00 0.00 H ATOM 56 HA LYS A 3 10.617 3.075 -0.080 1.00 0.00 H ATOM 57 HB2 LYS A 3 10.950 0.150 -0.701 1.00 0.00 H ATOM 58 HB3 LYS A 3 11.731 1.304 -1.768 1.00 0.00 H ATOM 59 HG2 LYS A 3 12.312 0.674 1.089 1.00 0.00 H ATOM 60 HG3 LYS A 3 13.410 0.807 -0.280 1.00 0.00 H ATOM 61 HD2 LYS A 3 12.044 3.069 1.178 1.00 0.00 H ATOM 62 HD3 LYS A 3 13.761 2.668 1.210 1.00 0.00 H ATOM 63 HE2 LYS A 3 14.148 3.548 -0.856 1.00 0.00 H ATOM 64 HE3 LYS A 3 12.527 3.178 -1.440 1.00 0.00 H ATOM 65 HZ1 LYS A 3 13.334 5.413 0.333 1.00 0.00 H ATOM 66 HZ2 LYS A 3 11.720 4.991 0.048 1.00 0.00 H ATOM 67 HZ3 LYS A 3 12.695 5.516 -1.231 1.00 0.00 H HETATM 68 N UVR A 4 9.382 1.504 -2.684 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.141 1.415 -3.097 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.945 0.679 -1.977 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.680 0.057 -1.483 1.00 0.00 H HETATM 72 HN UVR A 4 9.816 0.657 -2.523 1.00 0.00 H HETATM 73 CA UVR A 4 8.472 1.630 -3.803 1.00 0.00 C HETATM 74 HA UVR A 4 8.549 2.621 -4.204 1.00 0.00 H HETATM 75 CB UVR A 4 8.719 0.558 -4.872 1.00 0.00 C HETATM 76 HB UVR A 4 7.793 0.366 -5.394 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.151 -0.655 -4.278 1.00 0.00 O HETATM 78 HG1 UVR A 4 10.077 -0.583 -4.035 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.752 0.963 -5.901 1.00 0.00 C HETATM 80 HG21 UVR A 4 10.209 0.079 -6.321 1.00 0.00 H HETATM 81 HG22 UVR A 4 10.511 1.571 -5.430 1.00 0.00 H HETATM 82 HG23 UVR A 4 9.275 1.529 -6.687 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 27 HETATM 1 NT1 UVR A 1 5.690 0.864 -1.619 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.092 1.727 -2.484 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.990 2.063 -3.407 1.00 0.00 N HETATM 4 CA UVR A 1 5.016 0.372 -0.406 1.00 0.00 C HETATM 5 HA UVR A 1 4.915 -0.706 -0.413 1.00 0.00 H HETATM 6 CB UVR A 1 3.639 1.019 -0.225 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.668 2.026 -0.616 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.399 1.053 0.827 1.00 0.00 H HETATM 9 CG UVR A 1 2.532 0.282 -0.926 1.00 0.00 C HETATM 10 CD1 UVR A 1 2.702 -0.182 -2.221 1.00 0.00 C HETATM 11 HD1 UVR A 1 3.641 -0.011 -2.726 1.00 0.00 H HETATM 12 CD2 UVR A 1 1.322 0.053 -0.290 1.00 0.00 C HETATM 13 HD2 UVR A 1 1.179 0.411 0.719 1.00 0.00 H HETATM 14 CE1 UVR A 1 1.686 -0.861 -2.867 1.00 0.00 C HETATM 15 HE1 UVR A 1 1.832 -1.216 -3.877 1.00 0.00 H HETATM 16 CE2 UVR A 1 0.303 -0.624 -0.931 1.00 0.00 C HETATM 17 HE2 UVR A 1 -0.634 -0.795 -0.424 1.00 0.00 H HETATM 18 CZ UVR A 1 0.486 -1.082 -2.222 1.00 0.00 C HETATM 19 HZ UVR A 1 -0.310 -1.611 -2.726 1.00 0.00 H HETATM 20 C UVR A 1 5.939 0.776 0.768 1.00 0.00 C HETATM 21 O UVR A 1 5.752 1.823 1.388 1.00 0.00 O ATOM 22 N TRP A 2 6.989 -0.032 0.996 1.00 0.00 N ATOM 23 CA TRP A 2 8.012 0.245 1.999 1.00 0.00 C ATOM 24 C TRP A 2 9.316 0.620 1.266 1.00 0.00 C ATOM 25 O TRP A 2 10.359 -0.011 1.437 1.00 0.00 O ATOM 26 CB TRP A 2 8.233 -0.969 2.904 1.00 0.00 C ATOM 27 CG TRP A 2 8.426 -0.609 4.345 1.00 0.00 C ATOM 28 CD1 TRP A 2 9.606 -0.318 4.967 1.00 0.00 C ATOM 29 CD2 TRP A 2 7.407 -0.504 5.348 1.00 0.00 C ATOM 30 NE1 TRP A 2 9.384 -0.038 6.293 1.00 0.00 N ATOM 31 CE2 TRP A 2 8.042 -0.145 6.552 1.00 0.00 C ATOM 32 CE3 TRP A 2 6.020 -0.678 5.343 1.00 0.00 C ATOM 33 CZ2 TRP A 2 7.337 0.042 7.738 1.00 0.00 C ATOM 34 CZ3 TRP A 2 5.322 -0.491 6.522 1.00 0.00 C ATOM 35 CH2 TRP A 2 5.981 -0.134 7.705 1.00 0.00 C ATOM 36 H TRP A 2 7.104 -0.809 0.438 1.00 0.00 H ATOM 37 HA TRP A 2 7.677 1.078 2.579 1.00 0.00 H ATOM 38 HB2 TRP A 2 7.375 -1.622 2.835 1.00 0.00 H ATOM 39 HB3 TRP A 2 9.112 -1.502 2.572 1.00 0.00 H ATOM 40 HD1 TRP A 2 10.567 -0.313 4.475 1.00 0.00 H ATOM 41 HE1 TRP A 2 10.074 0.201 6.948 1.00 0.00 H ATOM 42 HE3 TRP A 2 5.494 -0.953 4.441 1.00 0.00 H ATOM 43 HZ2 TRP A 2 7.831 0.319 8.659 1.00 0.00 H ATOM 44 HZ3 TRP A 2 4.250 -0.621 6.538 1.00 0.00 H ATOM 45 HH2 TRP A 2 5.395 0.001 8.602 1.00 0.00 H ATOM 46 N LYS A 3 9.177 1.622 0.397 1.00 0.00 N ATOM 47 CA LYS A 3 10.225 2.149 -0.500 1.00 0.00 C ATOM 48 C LYS A 3 9.450 2.471 -1.767 1.00 0.00 C ATOM 49 O LYS A 3 8.761 3.491 -1.826 1.00 0.00 O ATOM 50 CB LYS A 3 11.341 1.124 -0.759 1.00 0.00 C ATOM 51 CG LYS A 3 12.275 1.510 -1.895 1.00 0.00 C ATOM 52 CD LYS A 3 13.607 2.032 -1.374 1.00 0.00 C ATOM 53 CE LYS A 3 14.772 1.196 -1.881 1.00 0.00 C ATOM 54 NZ LYS A 3 14.823 1.160 -3.369 1.00 0.00 N ATOM 55 H LYS A 3 8.282 2.014 0.312 1.00 0.00 H ATOM 56 HA LYS A 3 10.626 3.058 -0.075 1.00 0.00 H ATOM 57 HB2 LYS A 3 11.928 1.017 0.141 1.00 0.00 H ATOM 58 HB3 LYS A 3 10.891 0.172 -0.999 1.00 0.00 H ATOM 59 HG2 LYS A 3 12.457 0.641 -2.510 1.00 0.00 H ATOM 60 HG3 LYS A 3 11.806 2.281 -2.489 1.00 0.00 H ATOM 61 HD2 LYS A 3 13.739 3.051 -1.706 1.00 0.00 H ATOM 62 HD3 LYS A 3 13.598 2.003 -0.294 1.00 0.00 H ATOM 63 HE2 LYS A 3 15.692 1.620 -1.508 1.00 0.00 H ATOM 64 HE3 LYS A 3 14.664 0.188 -1.508 1.00 0.00 H ATOM 65 HZ1 LYS A 3 14.213 0.400 -3.729 1.00 0.00 H ATOM 66 HZ2 LYS A 3 15.798 0.987 -3.688 1.00 0.00 H ATOM 67 HZ3 LYS A 3 14.498 2.067 -3.759 1.00 0.00 H HETATM 68 N UVR A 4 9.382 1.508 -2.690 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.142 1.424 -3.098 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.947 0.675 -1.986 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.679 0.042 -1.502 1.00 0.00 H HETATM 72 HN UVR A 4 9.815 0.659 -2.534 1.00 0.00 H HETATM 73 CA UVR A 4 8.472 1.638 -3.808 1.00 0.00 C HETATM 74 HA UVR A 4 8.550 2.630 -4.209 1.00 0.00 H HETATM 75 CB UVR A 4 8.716 0.565 -4.875 1.00 0.00 C HETATM 76 HB UVR A 4 7.796 0.389 -5.412 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.121 -0.656 -4.278 1.00 0.00 O HETATM 78 HG1 UVR A 4 10.044 -0.599 -4.020 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.773 0.957 -5.887 1.00 0.00 C HETATM 80 HG21 UVR A 4 9.983 2.013 -5.796 1.00 0.00 H HETATM 81 HG22 UVR A 4 9.414 0.745 -6.883 1.00 0.00 H HETATM 82 HG23 UVR A 4 10.675 0.393 -5.702 1.00 0.00 H TER 83 UVR A 4 ENDMDL MODEL 28 HETATM 1 NT1 UVR A 1 5.690 0.864 -1.621 1.00 0.00 N HETATM 2 NT2 UVR A 1 5.092 1.724 -2.487 1.00 0.00 N HETATM 3 NT3 UVR A 1 5.990 2.059 -3.410 1.00 0.00 N HETATM 4 CA UVR A 1 5.016 0.374 -0.406 1.00 0.00 C HETATM 5 HA UVR A 1 4.912 -0.704 -0.413 1.00 0.00 H HETATM 6 CB UVR A 1 3.641 1.025 -0.225 1.00 0.00 C HETATM 7 HB1 UVR A 1 3.210 1.215 -1.198 1.00 0.00 H HETATM 8 HB2 UVR A 1 3.760 1.962 0.299 1.00 0.00 H HETATM 9 CG UVR A 1 2.672 0.181 0.555 1.00 0.00 C HETATM 10 CD1 UVR A 1 3.076 -0.480 1.703 1.00 0.00 C HETATM 11 HD1 UVR A 1 4.099 -0.385 2.038 1.00 0.00 H HETATM 12 CD2 UVR A 1 1.356 0.050 0.138 1.00 0.00 C HETATM 13 HD2 UVR A 1 1.031 0.562 -0.756 1.00 0.00 H HETATM 14 CE1 UVR A 1 2.187 -1.256 2.423 1.00 0.00 C HETATM 15 HE1 UVR A 1 2.515 -1.766 3.316 1.00 0.00 H HETATM 16 CE2 UVR A 1 0.463 -0.724 0.852 1.00 0.00 C HETATM 17 HE2 UVR A 1 -0.559 -0.818 0.517 1.00 0.00 H HETATM 18 CZ UVR A 1 0.878 -1.378 1.997 1.00 0.00 C HETATM 19 HZ UVR A 1 0.182 -1.983 2.557 1.00 0.00 H HETATM 20 C UVR A 1 5.941 0.777 0.768 1.00 0.00 C HETATM 21 O UVR A 1 5.755 1.824 1.387 1.00 0.00 O ATOM 22 N TRP A 2 6.989 -0.033 0.996 1.00 0.00 N ATOM 23 CA TRP A 2 8.013 0.244 1.999 1.00 0.00 C ATOM 24 C TRP A 2 9.316 0.621 1.267 1.00 0.00 C ATOM 25 O TRP A 2 10.361 -0.005 1.443 1.00 0.00 O ATOM 26 CB TRP A 2 8.235 -0.970 2.903 1.00 0.00 C ATOM 27 CG TRP A 2 9.142 -0.690 4.061 1.00 0.00 C ATOM 28 CD1 TRP A 2 10.500 -0.823 4.090 1.00 0.00 C ATOM 29 CD2 TRP A 2 8.755 -0.229 5.362 1.00 0.00 C ATOM 30 NE1 TRP A 2 10.983 -0.473 5.329 1.00 0.00 N ATOM 31 CE2 TRP A 2 9.931 -0.105 6.126 1.00 0.00 C ATOM 32 CE3 TRP A 2 7.530 0.090 5.953 1.00 0.00 C ATOM 33 CZ2 TRP A 2 9.915 0.325 7.451 1.00 0.00 C ATOM 34 CZ3 TRP A 2 7.516 0.517 7.268 1.00 0.00 C ATOM 35 CH2 TRP A 2 8.702 0.632 8.003 1.00 0.00 C ATOM 36 H TRP A 2 7.105 -0.810 0.438 1.00 0.00 H ATOM 37 HA TRP A 2 7.676 1.075 2.580 1.00 0.00 H ATOM 38 HB2 TRP A 2 7.284 -1.297 3.296 1.00 0.00 H ATOM 39 HB3 TRP A 2 8.672 -1.768 2.321 1.00 0.00 H ATOM 40 HD1 TRP A 2 11.096 -1.156 3.254 1.00 0.00 H ATOM 41 HE1 TRP A 2 11.925 -0.484 5.596 1.00 0.00 H ATOM 42 HE3 TRP A 2 6.605 0.008 5.401 1.00 0.00 H ATOM 43 HZ2 TRP A 2 10.821 0.419 8.032 1.00 0.00 H ATOM 44 HZ3 TRP A 2 6.579 0.768 7.741 1.00 0.00 H ATOM 45 HH2 TRP A 2 8.644 0.968 9.028 1.00 0.00 H ATOM 46 N LYS A 3 9.175 1.619 0.395 1.00 0.00 N ATOM 47 CA LYS A 3 10.223 2.149 -0.501 1.00 0.00 C ATOM 48 C LYS A 3 9.449 2.473 -1.767 1.00 0.00 C ATOM 49 O LYS A 3 8.759 3.490 -1.826 1.00 0.00 O ATOM 50 CB LYS A 3 11.338 1.127 -0.767 1.00 0.00 C ATOM 51 CG LYS A 3 12.495 1.222 0.214 1.00 0.00 C ATOM 52 CD LYS A 3 13.428 2.369 -0.134 1.00 0.00 C ATOM 53 CE LYS A 3 14.186 2.862 1.087 1.00 0.00 C ATOM 54 NZ LYS A 3 13.519 4.032 1.721 1.00 0.00 N ATOM 55 H LYS A 3 8.280 2.008 0.309 1.00 0.00 H ATOM 56 HA LYS A 3 10.623 3.058 -0.075 1.00 0.00 H ATOM 57 HB2 LYS A 3 10.922 0.133 -0.706 1.00 0.00 H ATOM 58 HB3 LYS A 3 11.725 1.286 -1.762 1.00 0.00 H ATOM 59 HG2 LYS A 3 12.101 1.380 1.207 1.00 0.00 H ATOM 60 HG3 LYS A 3 13.050 0.296 0.190 1.00 0.00 H ATOM 61 HD2 LYS A 3 14.139 2.030 -0.873 1.00 0.00 H ATOM 62 HD3 LYS A 3 12.847 3.183 -0.539 1.00 0.00 H ATOM 63 HE2 LYS A 3 14.244 2.059 1.807 1.00 0.00 H ATOM 64 HE3 LYS A 3 15.184 3.146 0.786 1.00 0.00 H ATOM 65 HZ1 LYS A 3 13.765 4.081 2.730 1.00 0.00 H ATOM 66 HZ2 LYS A 3 12.486 3.946 1.632 1.00 0.00 H ATOM 67 HZ3 LYS A 3 13.823 4.912 1.257 1.00 0.00 H HETATM 68 N UVR A 4 9.382 1.509 -2.690 1.00 0.00 N HETATM 69 CT4 UVR A 4 7.143 1.422 -3.100 1.00 0.00 C HETATM 70 CT5 UVR A 4 6.949 0.676 -1.985 1.00 0.00 C HETATM 71 HT5 UVR A 4 7.680 0.044 -1.500 1.00 0.00 H HETATM 72 HN UVR A 4 9.816 0.660 -2.534 1.00 0.00 H HETATM 73 CA UVR A 4 8.473 1.636 -3.809 1.00 0.00 C HETATM 74 HA UVR A 4 8.551 2.627 -4.212 1.00 0.00 H HETATM 75 CB UVR A 4 8.720 0.561 -4.871 1.00 0.00 C HETATM 76 HB UVR A 4 7.804 0.387 -5.414 1.00 0.00 H HETATM 77 OG1 UVR A 4 9.118 -0.658 -4.268 1.00 0.00 O HETATM 78 HG1 UVR A 4 8.379 -1.270 -4.265 1.00 0.00 H HETATM 79 CG2 UVR A 4 9.787 0.946 -5.873 1.00 0.00 C HETATM 80 HG21 UVR A 4 10.009 1.999 -5.778 1.00 0.00 H HETATM 81 HG22 UVR A 4 9.432 0.742 -6.873 1.00 0.00 H HETATM 82 HG23 UVR A 4 10.682 0.371 -5.686 1.00 0.00 H TER 83 UVR A 4 ENDMDL CONECT 1 70 CONECT 3 69 CONECT 20 22 CONECT 22 20 CONECT 48 68 CONECT 68 48 CONECT 69 3 CONECT 70 1 MASTER 110 0 2 0 0 0 0 6 43 1 8 1 END