USER MOD reduce.3.24.130724 H: found=0, std=0, add=268, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 278 hydrogens (156 hets) HEADER ANTIBIOTIC 26-JUL-01 1JO3 TITLE GRAMICIDIN B IN SODIUM DODECYL SULFATE MICELLES (NMR) COMPND MOL_ID: 1; COMPND 2 MOLECULE: GRAMICIDIN B; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: VAL-GRAMICIDIN B SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BREVIBACILLUS BREVIS; SOURCE 3 ORGANISM_TAXID: 1393 KEYWDS GRAMICIDIN, ANTIFUNGAL, ANTIBACTERIAL, MEMBRANE ION CHANNEL, LINEAR KEYWDS 2 GRAMICIDIN, SDS MICELLES, ANTIBIOTIC EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR L.E.TOWNSLEY,W.A.TUCKER,J.F.HINTON REVDAT 7 27-JUL-11 1JO3 1 ATOM HETATM REMARK SEQRES REVDAT 6 13-JUL-11 1JO3 1 VERSN REVDAT 5 24-FEB-09 1JO3 1 VERSN REVDAT 4 25-FEB-03 1JO3 1 REMARK REVDAT 3 21-NOV-01 1JO3 1 JRNL REVDAT 2 24-OCT-01 1JO3 1 JRNL REVDAT 1 08-AUG-01 1JO3 0 JRNL AUTH L.E.TOWNSLEY,W.A.TUCKER,S.SHAM,J.F.HINTON JRNL TITL STRUCTURES OF GRAMICIDINS A, B, AND C INCORPORATED INTO JRNL TITL 2 SODIUM DODECYL SULFATE MICELLES. JRNL REF BIOCHEMISTRY V. 40 11676 2001 JRNL REFN ISSN 0006-2960 JRNL PMID 11570868 JRNL DOI 10.1021/BI010942W REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : DISCOVER 97.2 REMARK 3 AUTHORS : BIOSYM/MSI REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: THE STRUCTURE WAS MODELED USING 622 REMARK 3 DISTANCE CONSTRAINTS AND 13 HYDROGEN BOND CONSTRAINTS PER REMARK 3 MONOMER, INCLUDING CONSTRAINTS BETWEEN THE MONOMERS. THE C2 REMARK 3 SYMMETRY CONSTRAINT DOUBLES THIS NUMBER OF CONSTRAINTS FOR THE REMARK 3 DIMER. 100 STRUCTURES WERE GENERATED USING DSPACE, OF WHICH THE REMARK 3 10 WITH THE FEWEST VIOLATIONS FROM THE DISTANCE CONSTRAINTS WERE REMARK 3 CHOSEN FOR THE AVERAGE STRUCTURE. THIS AVERAGE STRUCTURE WAS REMARK 3 FURTHER REFINED BY CONSTRAINED MINIMIZATION WITH DISCOVER USING REMARK 3 THE ALL-ATOM AMBER FORCE FIELD AND A DIELECTRIC CONSTANT OF 2.0 REMARK 3 TO EMULATE THAT OF THE MICELLE INTERIOR. REMARK 4 REMARK 4 1JO3 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 27-JUL-01. REMARK 100 THE RCSB ID CODE IS RCSB013993. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 328 REMARK 210 PH : 6.5 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 5MM GRAMICIDIN B, 250MM REMARK 210 DEUTERATED SODIUM DODECYL REMARK 210 SULFATE, 80% 100MM PHOSPHATE REMARK 210 BUFFER PH 6.5, 10% D2O, 10% REMARK 210 DEUTERATED TFE REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ REMARK 210 SPECTROMETER MODEL : VXRS REMARK 210 SPECTROMETER MANUFACTURER : VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : VNMR 3.2, FELIX 95.0, DSPACE 4.0 REMARK 210 METHOD USED : DISTANCE GEOMETRY, SIMULATED REMARK 210 ANNEALING, RELAXATION MATRIX REMARK 210 CALCULATION, MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: A 40MSEC MIXING TIME WAS USED IN THE NOESY EXPERIMENT FROM REMARK 210 WHICH DISTANCE CONSTRAINTS WERE OBTAINED. 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: DIMERIC REMARK 350 SOFTWARE DETERMINED QUATERNARY STRUCTURE: DIMERIC REMARK 350 SOFTWARE USED: PISA REMARK 350 TOTAL BURIED SURFACE AREA: 770 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 2770 ANGSTROM**2 REMARK 350 CHANGE IN SOLVENT FREE ENERGY: -3.0 KCAL/MOL REMARK 350 APPLY THE FOLLOWING TO CHAINS: A, B 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 400 REMARK 400 COMPOUND REMARK 400 GRAMICIDIN IS A HETEROGENEOUS MIXTURE OF SEVERAL COMPOUNDS REMARK 400 INCLUDING GRAMICIDIN A, B AND C WHICH ARE OBTAINED FROM REMARK 400 BACILLUS BREVIS AND COLLECTIVELY CALLED GRAMICIDIN D REMARK 400 HERE, GRAMICIDIN A IS REPRESENTED BY THE SEQUENCE (SEQRES) REMARK 400 REMARK 400 GROUP: 1 REMARK 400 NAME: GRAMICIDIN B REMARK 400 CHAIN: A, B REMARK 400 COMPONENT_1: PEPTIDE LIKE SEQUENCE RESIDUES 1 TO 16 REMARK 400 DESCRIPTION: GRAMICIDIN A IS A HEXADECAMERIC HELICAL PEPTIDE REMARK 400 WITH ALTERNATING D,L CHARACTERISTICS. REMARK 400 THE N-TERM IS FORMYLATED (RESIDUE 1). REMARK 400 THE C-TERM IS CAPPED WITH ETHANOLAMINE (RESIDUE 16). REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR CHAIN A OF GRAMICIDIN B REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR CHAIN B OF GRAMICIDIN B REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1TK2 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GRAMICIDIN S COMPLEXED WITH ALKALINE REMARK 900 PROTEINASE SAVINASE REMARK 900 RELATED ID: 2XDC RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GRAMICIDIN A FROM CRYSTALS GROWN IN A REMARK 900 LIPID CUBIC PHASE. REMARK 900 RELATED ID: 1AV2 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GRAMICIDIN A COMPLEXED WITH CESIUM REMARK 900 CHLORIDE REMARK 900 RELATED ID: 1BDW RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GRAMICIDIN A FROM BACILLUS BREVIS REMARK 900 RELATED ID: 1C4D RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GRAMICIDIN A COMPLEXED WITH CESIUM REMARK 900 CHLORIDE REMARK 900 RELATED ID: 1GMK RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GRAMICIDIN A COMPLRXED WITH POTASSIUM REMARK 900 THIOCYANATE REMARK 900 RELATED ID: 1GRM RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF THE GRAMICIDIN A REMARK 900 RELATED ID: 1JNO RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF GRAMICIDIN A IN SODIUM DODECYL REMARK 900 SULFATE MICELLES REMARK 900 RELATED ID: 1KQE RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF A LINKED SHORTENED GRAMICIDIN A IN REMARK 900 BENZENE/ACETONE 10:1 REMARK 900 RELATED ID: 1MAG RELATED DB: PDB REMARK 900 SOLID STATE NMR STRUCTURE OF GRAMICIDIN A IN HYDRATED DMPC REMARK 900 BILAYERS, REMARK 900 RELATED ID: 1MIC RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF GRAMICIDIN A IN METHANOL IN THE REMARK 900 PRESENCE OF CACL REMARK 900 RELATED ID: 1NG8 RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF GRAMICIDIN A (W15G) IN SODIUM DODECYL REMARK 900 SULFATE MICELLES REMARK 900 RELATED ID: 1NRM RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF GRAMICIDIN A IN DODECYL REMARK 900 PHOSPHOCHOLINE MICELLES REMARK 900 RELATED ID: 1NRU RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF GRAMICIDIN A IN DODECYL REMARK 900 PHOSPHOCHOLINE MICELLES IN THE PRESENCE OF EXCESS NA+ REMARK 900 RELATED ID: 1NT5 RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF GRAMICIDIN A (V1F) IN SODIUM DODECYL REMARK 900 SULFATE MICELLES REMARK 900 RELATED ID: 1JO4 RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF GRAMICIDIN C IN SODIUM DODECYL REMARK 900 SULFATE MICELLES REMARK 900 RELATED ID: 1NT6 RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF F1-GRAMICIDIN C IN SODIUM DODECYL REMARK 900 SULFATE MICELLES REMARK 900 RELATED ID: 1TKQ RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF A LINKED UNSYMMETRIC GRAMICIDIN A IN REMARK 900 A MEMBRANE-ISOELECTRICAL SOLVENTS MIXTURE, IN THE PRESENCE REMARK 900 OF CSCL REMARK 900 RELATED ID: 1W5U RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GRAMICIDIN D IN ETHANOL REMARK 900 RELATED ID: 2IZQ RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GRAMICIDIN D COMPLEX WITH KI IN REMARK 900 METHANOL REMARK 900 RELATED ID: 3L8L RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GRAMICIDIN D COMPLEX WITH NAI REMARK 900 RELATED ID: 1AL4 RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GRAMICIDIN D IN N-PROPANOL REMARK 900 RELATED ID: 1ALX RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GRAMICIDIN D IN METHANOL REMARK 900 RELATED ID: 1ALZ RELATED DB: PDB REMARK 900 CRYSTAL STRUCTURE OF GRAMICIDIN D IN ETHANOL DBREF 1JO3 A 1 16 NOR NOR00244 NOR00244 1 16 DBREF 1JO3 B 1 16 NOR NOR00244 NOR00244 1 16 SEQRES 1 A 16 FVA GLY ALA DLE ALA DVA VAL DVA TRP DLE PHE DLE TRP SEQRES 2 A 16 DLE TRP ETA SEQRES 1 B 16 FVA GLY ALA DLE ALA DVA VAL DVA TRP DLE PHE DLE TRP SEQRES 2 B 16 DLE TRP ETA HET FVA A 1 19 HET DLE A 4 19 HET DVA A 6 16 HET DVA A 8 16 HET DLE A 10 19 HET DLE A 12 19 HET DLE A 14 19 HET ETA A 16 10 HET FVA B 1 19 HET DLE B 4 19 HET DVA B 6 16 HET DVA B 8 16 HET DLE B 10 19 HET DLE B 12 19 HET DLE B 14 19 HET ETA B 16 10 HETNAM FVA N-FORMYL-L-VALINE HETNAM DLE D-LEUCINE HETNAM DVA D-VALINE HETNAM ETA ETHANOLAMINE FORMUL 1 FVA 2(C6 H11 N O3) FORMUL 1 DLE 8(C6 H13 N O2) FORMUL 1 DVA 4(C5 H11 N O2) FORMUL 1 ETA 2(C2 H7 N O) SHEET 1 AA 2 GLY A 2 TRP A 15 0 SHEET 2 AA 2 GLY B 2 TRP B 15 -1 O ALA B 3 N ALA A 3 LINK C FVA A 1 N GLY A 2 1555 1555 1.34 LINK C ALA A 3 N DLE A 4 1555 1555 1.34 LINK C DLE A 4 N ALA A 5 1555 1555 1.34 LINK C ALA A 5 N DVA A 6 1555 1555 1.34 LINK C DVA A 6 N VAL A 7 1555 1555 1.34 LINK C VAL A 7 N DVA A 8 1555 1555 1.34 LINK C DVA A 8 N TRP A 9 1555 1555 1.34 LINK C TRP A 9 N DLE A 10 1555 1555 1.34 LINK C DLE A 10 N PHE A 11 1555 1555 1.34 LINK C PHE A 11 N DLE A 12 1555 1555 1.34 LINK C DLE A 12 N TRP A 13 1555 1555 1.34 LINK C TRP A 13 N DLE A 14 1555 1555 1.34 LINK C DLE A 14 N TRP A 15 1555 1555 1.34 LINK C TRP A 15 N ETA A 16 1555 1555 1.34 LINK C FVA B 1 N GLY B 2 1555 1555 1.34 LINK C ALA B 3 N DLE B 4 1555 1555 1.34 LINK C DLE B 4 N ALA B 5 1555 1555 1.34 LINK C ALA B 5 N DVA B 6 1555 1555 1.34 LINK C DVA B 6 N VAL B 7 1555 1555 1.34 LINK C VAL B 7 N DVA B 8 1555 1555 1.34 LINK C DVA B 8 N TRP B 9 1555 1555 1.34 LINK C TRP B 9 N DLE B 10 1555 1555 1.34 LINK C DLE B 10 N PHE B 11 1555 1555 1.34 LINK C PHE B 11 N DLE B 12 1555 1555 1.34 LINK C DLE B 12 N TRP B 13 1555 1555 1.34 LINK C TRP B 13 N DLE B 14 1555 1555 1.34 LINK C DLE B 14 N TRP B 15 1555 1555 1.34 LINK C TRP B 15 N ETA B 16 1555 1555 1.34 SITE *** AC1 3 ALA B 3 DLE B 4 ALA B 5 SITE *** AC2 3 ALA A 3 DLE A 4 ALA A 5 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 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 4 DLE H2 : A 4 DLE N : A 3 ALA C :(H bumps) USER MOD NoAdj-H: A 6 DVA H2 : A 6 DVA N : A 5 ALA C :(H bumps) USER MOD NoAdj-H: A 6 DVA H : A 6 DVA N : A 5 ALA C :(H bumps) USER MOD NoAdj-H: A 8 DVA H2 : A 8 DVA N : A 7 VAL C :(H bumps) USER MOD NoAdj-H: A 8 DVA H : A 8 DVA N : A 7 VAL C :(H bumps) USER MOD NoAdj-H: A 10 DLE H2 : A 10 DLE N : A 9 TRP C :(H bumps) USER MOD NoAdj-H: A 10 DLE H : A 10 DLE N : A 9 TRP C :(H bumps) USER MOD NoAdj-H: A 12 DLE H2 : A 12 DLE N : A 11 PHE C :(H bumps) USER MOD NoAdj-H: A 14 DLE H2 : A 14 DLE N : A 13 TRP C :(H bumps) USER MOD NoAdj-H: A 14 DLE H : A 14 DLE N : A 13 TRP C :(H bumps) USER MOD NoAdj-H: A 16 ETA HN2 : A 16 ETA N : A 15 TRP C :(H bumps) USER MOD NoAdj-H: A 16 ETA HN1 : A 16 ETA N : A 15 TRP C :(H bumps) USER MOD NoAdj-H: B 4 DLE H2 : B 4 DLE N : B 3 ALA C :(H bumps) USER MOD NoAdj-H: B 6 DVA H2 : B 6 DVA N : B 5 ALA C :(H bumps) USER MOD NoAdj-H: B 6 DVA H : B 6 DVA N : B 5 ALA C :(H bumps) USER MOD NoAdj-H: B 8 DVA H2 : B 8 DVA N : B 7 VAL C :(H bumps) USER MOD NoAdj-H: B 8 DVA H : B 8 DVA N : B 7 VAL C :(H bumps) USER MOD NoAdj-H: B 10 DLE H2 : B 10 DLE N : B 9 TRP C :(H bumps) USER MOD NoAdj-H: B 10 DLE H : B 10 DLE N : B 9 TRP C :(H bumps) USER MOD NoAdj-H: B 12 DLE H2 : B 12 DLE N : B 11 PHE C :(H bumps) USER MOD NoAdj-H: B 14 DLE H2 : B 14 DLE N : B 13 TRP C :(H bumps) USER MOD NoAdj-H: B 14 DLE H : B 14 DLE N : B 13 TRP C :(H bumps) USER MOD NoAdj-H: B 16 ETA HN2 : B 16 ETA N : B 15 TRP C :(H bumps) USER MOD NoAdj-H: B 16 ETA HN1 : B 16 ETA N : B 15 TRP C :(H bumps) USER MOD Single : A 16 ETA O : rot 180:sc= 0 USER MOD Single : B 16 ETA O : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C FVA A 1 -3.410 0.747 -1.941 1.00 0.00 C HETATM 2 N FVA A 1 -1.770 0.134 -3.682 1.00 0.00 N HETATM 3 O FVA A 1 -3.654 -0.339 -1.417 1.00 0.00 O HETATM 4 CA FVA A 1 -3.045 0.817 -3.438 1.00 0.00 C HETATM 5 CB FVA A 1 -4.156 0.209 -4.328 1.00 0.00 C HETATM 6 CG1 FVA A 1 -5.503 0.917 -4.097 1.00 0.00 C HETATM 7 CG2 FVA A 1 -3.809 0.290 -5.826 1.00 0.00 C HETATM 14 O1 FVA A 1 -0.794 1.734 -4.924 1.00 0.00 O HETATM 16 CN FVA A 1 -0.757 0.621 -4.406 1.00 0.00 C HETATM 0 HG23 FVA A 1 -3.678 1.333 -6.113 1.00 0.00 H new HETATM 0 HG22 FVA A 1 -2.886 -0.257 -6.016 1.00 0.00 H new HETATM 0 HG21 FVA A 1 -4.617 -0.149 -6.411 1.00 0.00 H new HETATM 0 HG13 FVA A 1 -5.796 0.809 -3.053 1.00 0.00 H new HETATM 0 HG12 FVA A 1 -5.404 1.975 -4.339 1.00 0.00 H new HETATM 0 HG11 FVA A 1 -6.264 0.469 -4.736 1.00 0.00 H new HETATM 0 HN FVA A 1 0.134 0.008 -4.541 1.00 0.00 H new HETATM 0 HB FVA A 1 -4.235 -0.840 -4.041 1.00 0.00 H new HETATM 0 HA FVA A 1 -2.946 1.869 -3.705 1.00 0.00 H new HETATM 0 H FVA A 1 -1.646 -0.789 -3.265 1.00 0.00 H new ATOM 20 N GLY A 2 -3.480 1.900 -1.257 1.00 0.00 N ATOM 21 CA GLY A 2 -3.943 2.022 0.129 1.00 0.00 C ATOM 22 C GLY A 2 -2.975 2.802 1.030 1.00 0.00 C ATOM 23 O GLY A 2 -3.257 3.942 1.399 1.00 0.00 O ATOM 0 H GLY A 2 -3.209 2.794 -1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.914 2.517 0.137 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.090 1.025 0.544 1.00 0.00 H new ATOM 27 N ALA A 3 -1.849 2.189 1.419 1.00 0.00 N ATOM 28 CA ALA A 3 -0.892 2.779 2.359 1.00 0.00 C ATOM 29 C ALA A 3 0.550 2.256 2.191 1.00 0.00 C ATOM 30 O ALA A 3 0.785 1.153 1.700 1.00 0.00 O ATOM 31 CB ALA A 3 -1.405 2.585 3.795 1.00 0.00 C ATOM 0 H ALA A 3 -1.577 1.264 1.087 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.828 3.843 2.133 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.695 3.023 4.497 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.373 3.074 3.905 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.511 1.520 4.003 1.00 0.00 H new HETATM 37 N DLE A 4 1.522 3.071 2.621 1.00 0.00 N HETATM 38 CA DLE A 4 2.962 2.827 2.533 1.00 0.00 C HETATM 39 CB DLE A 4 3.635 3.232 3.863 1.00 0.00 C HETATM 40 CG DLE A 4 3.656 2.106 4.917 1.00 0.00 C HETATM 41 CD1 DLE A 4 4.419 2.581 6.163 1.00 0.00 C HETATM 42 CD2 DLE A 4 2.250 1.633 5.317 1.00 0.00 C HETATM 43 C DLE A 4 3.534 3.600 1.329 1.00 0.00 C HETATM 44 O DLE A 4 3.924 4.761 1.453 1.00 0.00 O HETATM 0 HD23 DLE A 4 1.691 2.469 5.737 1.00 0.00 H new HETATM 0 HD22 DLE A 4 1.730 1.254 4.437 1.00 0.00 H new HETATM 0 HD21 DLE A 4 2.331 0.840 6.061 1.00 0.00 H new HETATM 0 HD13 DLE A 4 5.442 2.838 5.887 1.00 0.00 H new HETATM 0 HD12 DLE A 4 3.924 3.458 6.580 1.00 0.00 H new HETATM 0 HD11 DLE A 4 4.433 1.784 6.907 1.00 0.00 H new HETATM 0 HG DLE A 4 4.160 1.252 4.464 1.00 0.00 H new HETATM 0 HB3 DLE A 4 4.659 3.547 3.661 1.00 0.00 H new HETATM 0 HB2 DLE A 4 3.112 4.094 4.276 1.00 0.00 H new HETATM 0 HA DLE A 4 3.164 1.768 2.374 1.00 0.00 H new HETATM 0 H DLE A 4 1.121 3.454 3.477 1.00 0.00 H new ATOM 56 N ALA A 5 3.578 2.951 0.161 1.00 0.00 N ATOM 57 CA ALA A 5 4.070 3.508 -1.099 1.00 0.00 C ATOM 58 C ALA A 5 3.203 3.045 -2.286 1.00 0.00 C ATOM 59 O ALA A 5 2.962 1.849 -2.456 1.00 0.00 O ATOM 60 CB ALA A 5 5.545 3.128 -1.283 1.00 0.00 C ATOM 0 H ALA A 5 3.259 1.987 0.066 1.00 0.00 H new ATOM 0 HA ALA A 5 3.997 4.595 -1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 5 5.913 3.542 -2.222 1.00 0.00 H new ATOM 0 HB2 ALA A 5 6.130 3.529 -0.455 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.641 2.042 -1.303 1.00 0.00 H new HETATM 66 N DVA A 6 2.737 3.999 -3.105 1.00 0.00 N HETATM 67 CA DVA A 6 1.839 3.788 -4.247 1.00 0.00 C HETATM 68 CB DVA A 6 2.644 3.683 -5.564 1.00 0.00 C HETATM 69 CG1 DVA A 6 3.718 2.581 -5.511 1.00 0.00 C HETATM 70 CG2 DVA A 6 1.720 3.399 -6.762 1.00 0.00 C HETATM 71 C DVA A 6 0.812 4.938 -4.309 1.00 0.00 C HETATM 72 O DVA A 6 1.179 6.104 -4.173 1.00 0.00 O HETATM 0 HG23 DVA A 6 1.194 2.458 -6.601 1.00 0.00 H new HETATM 0 HG22 DVA A 6 0.995 4.207 -6.862 1.00 0.00 H new HETATM 0 HG21 DVA A 6 2.315 3.331 -7.673 1.00 0.00 H new HETATM 0 HG13 DVA A 6 4.420 2.795 -4.705 1.00 0.00 H new HETATM 0 HG12 DVA A 6 3.242 1.617 -5.331 1.00 0.00 H new HETATM 0 HG11 DVA A 6 4.254 2.549 -6.460 1.00 0.00 H new HETATM 0 HB DVA A 6 3.135 4.648 -5.689 1.00 0.00 H new HETATM 0 HA DVA A 6 1.304 2.847 -4.117 1.00 0.00 H new ATOM 82 N VAL A 7 -0.473 4.617 -4.510 1.00 0.00 N ATOM 83 CA VAL A 7 -1.592 5.567 -4.477 1.00 0.00 C ATOM 84 C VAL A 7 -2.459 5.321 -3.224 1.00 0.00 C ATOM 85 O VAL A 7 -2.929 4.207 -2.997 1.00 0.00 O ATOM 86 CB VAL A 7 -2.367 5.531 -5.815 1.00 0.00 C ATOM 87 CG1 VAL A 7 -3.034 4.182 -6.128 1.00 0.00 C ATOM 88 CG2 VAL A 7 -3.419 6.648 -5.883 1.00 0.00 C ATOM 0 H VAL A 7 -0.771 3.661 -4.706 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.222 6.588 -4.384 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.604 5.688 -6.577 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.555 4.247 -7.083 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.273 3.404 -6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.748 3.938 -5.341 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -3.946 6.594 -6.836 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -4.132 6.527 -5.067 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -2.927 7.617 -5.794 1.00 0.00 H new HETATM 98 N DVA A 8 -2.634 6.344 -2.375 1.00 0.00 N HETATM 99 CA DVA A 8 -3.268 6.238 -1.054 1.00 0.00 C HETATM 100 CB DVA A 8 -4.772 6.596 -1.121 1.00 0.00 C HETATM 101 CG1 DVA A 8 -5.550 5.724 -2.121 1.00 0.00 C HETATM 102 CG2 DVA A 8 -5.435 6.431 0.259 1.00 0.00 C HETATM 103 C DVA A 8 -2.520 7.131 -0.044 1.00 0.00 C HETATM 104 O DVA A 8 -2.537 8.354 -0.181 1.00 0.00 O HETATM 0 HG23 DVA A 8 -5.334 5.397 0.590 1.00 0.00 H new HETATM 0 HG22 DVA A 8 -4.949 7.091 0.978 1.00 0.00 H new HETATM 0 HG21 DVA A 8 -6.492 6.688 0.188 1.00 0.00 H new HETATM 0 HG13 DVA A 8 -5.133 5.855 -3.119 1.00 0.00 H new HETATM 0 HG12 DVA A 8 -5.471 4.677 -1.829 1.00 0.00 H new HETATM 0 HG11 DVA A 8 -6.599 6.021 -2.124 1.00 0.00 H new HETATM 0 HB DVA A 8 -4.813 7.634 -1.453 1.00 0.00 H new HETATM 0 HA DVA A 8 -3.203 5.203 -0.717 1.00 0.00 H new ATOM 114 N TRP A 9 -1.889 6.537 0.980 1.00 0.00 N ATOM 115 CA TRP A 9 -1.193 7.249 2.061 1.00 0.00 C ATOM 116 C TRP A 9 0.310 6.893 2.157 1.00 0.00 C ATOM 117 O TRP A 9 0.683 5.725 2.077 1.00 0.00 O ATOM 118 CB TRP A 9 -1.920 6.978 3.388 1.00 0.00 C ATOM 119 CG TRP A 9 -1.302 7.646 4.583 1.00 0.00 C ATOM 120 CD1 TRP A 9 -1.525 8.918 4.982 1.00 0.00 C ATOM 121 CD2 TRP A 9 -0.282 7.119 5.482 1.00 0.00 C ATOM 122 NE1 TRP A 9 -0.722 9.221 6.064 1.00 0.00 N ATOM 123 CE2 TRP A 9 0.075 8.147 6.410 1.00 0.00 C ATOM 124 CE3 TRP A 9 0.404 5.883 5.588 1.00 0.00 C ATOM 125 CZ2 TRP A 9 1.065 7.959 7.393 1.00 0.00 C ATOM 126 CZ3 TRP A 9 1.377 5.674 6.588 1.00 0.00 C ATOM 127 CH2 TRP A 9 1.712 6.710 7.486 1.00 0.00 C ATOM 0 H TRP A 9 -1.848 5.523 1.081 1.00 0.00 H new ATOM 0 HA TRP A 9 -1.223 8.315 1.834 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -2.954 7.310 3.296 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -1.945 5.902 3.561 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -2.228 9.597 4.522 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -0.718 10.120 6.545 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.178 5.089 4.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 1.326 8.761 8.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 1.868 4.716 6.667 1.00 0.00 H new ATOM 0 HH2 TRP A 9 2.464 6.546 8.244 1.00 0.00 H new HETATM 138 N DLE A 10 1.166 7.900 2.388 1.00 0.00 N HETATM 139 CA DLE A 10 2.609 7.764 2.625 1.00 0.00 C HETATM 140 CB DLE A 10 2.968 8.446 3.960 1.00 0.00 C HETATM 141 CG DLE A 10 4.411 8.210 4.447 1.00 0.00 C HETATM 142 CD1 DLE A 10 4.675 9.095 5.676 1.00 0.00 C HETATM 143 CD2 DLE A 10 4.665 6.742 4.821 1.00 0.00 C HETATM 144 C DLE A 10 3.400 8.367 1.450 1.00 0.00 C HETATM 145 O DLE A 10 3.574 9.585 1.382 1.00 0.00 O HETATM 0 HD23 DLE A 10 3.986 6.448 5.621 1.00 0.00 H new HETATM 0 HD22 DLE A 10 4.495 6.110 3.950 1.00 0.00 H new HETATM 0 HD21 DLE A 10 5.695 6.625 5.158 1.00 0.00 H new HETATM 0 HD13 DLE A 10 4.545 10.143 5.405 1.00 0.00 H new HETATM 0 HD12 DLE A 10 3.973 8.836 6.468 1.00 0.00 H new HETATM 0 HD11 DLE A 10 5.694 8.935 6.028 1.00 0.00 H new HETATM 0 HG DLE A 10 5.085 8.465 3.629 1.00 0.00 H new HETATM 0 HB3 DLE A 10 2.807 9.519 3.857 1.00 0.00 H new HETATM 0 HB2 DLE A 10 2.280 8.092 4.728 1.00 0.00 H new HETATM 0 HA DLE A 10 2.877 6.710 2.692 1.00 0.00 H new ATOM 157 N PHE A 11 3.877 7.520 0.530 1.00 0.00 N ATOM 158 CA PHE A 11 4.711 7.903 -0.616 1.00 0.00 C ATOM 159 C PHE A 11 4.005 7.643 -1.962 1.00 0.00 C ATOM 160 O PHE A 11 3.236 6.694 -2.098 1.00 0.00 O ATOM 161 CB PHE A 11 6.053 7.153 -0.535 1.00 0.00 C ATOM 162 CG PHE A 11 6.811 7.352 0.770 1.00 0.00 C ATOM 163 CD1 PHE A 11 7.329 8.626 1.097 1.00 0.00 C ATOM 164 CD2 PHE A 11 6.921 6.294 1.700 1.00 0.00 C ATOM 165 CE1 PHE A 11 7.967 8.834 2.339 1.00 0.00 C ATOM 166 CE2 PHE A 11 7.568 6.500 2.937 1.00 0.00 C ATOM 167 CZ PHE A 11 8.089 7.771 3.258 1.00 0.00 C ATOM 0 H PHE A 11 3.687 6.518 0.563 1.00 0.00 H new ATOM 0 HA PHE A 11 4.892 8.977 -0.569 1.00 0.00 H new ATOM 0 HB2 PHE A 11 5.868 6.088 -0.674 1.00 0.00 H new ATOM 0 HB3 PHE A 11 6.686 7.477 -1.361 1.00 0.00 H new ATOM 0 HD1 PHE A 11 7.236 9.442 0.395 1.00 0.00 H new ATOM 0 HD2 PHE A 11 6.508 5.324 1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.362 9.808 2.586 1.00 0.00 H new ATOM 0 HE2 PHE A 11 7.664 5.684 3.638 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.581 7.930 4.206 1.00 0.00 H new HETATM 177 N DLE A 12 4.304 8.473 -2.970 1.00 0.00 N HETATM 178 CA DLE A 12 3.807 8.352 -4.343 1.00 0.00 C HETATM 179 CB DLE A 12 4.987 8.506 -5.326 1.00 0.00 C HETATM 180 CG DLE A 12 6.156 7.526 -5.089 1.00 0.00 C HETATM 181 CD1 DLE A 12 5.717 6.054 -5.153 1.00 0.00 C HETATM 182 CD2 DLE A 12 7.252 7.778 -6.135 1.00 0.00 C HETATM 183 C DLE A 12 2.691 9.382 -4.611 1.00 0.00 C HETATM 184 O DLE A 12 2.974 10.502 -5.037 1.00 0.00 O HETATM 0 HD23 DLE A 12 6.844 7.623 -7.134 1.00 0.00 H new HETATM 0 HD22 DLE A 12 7.612 8.803 -6.045 1.00 0.00 H new HETATM 0 HD21 DLE A 12 8.079 7.087 -5.970 1.00 0.00 H new HETATM 0 HD13 DLE A 12 4.963 5.866 -4.389 1.00 0.00 H new HETATM 0 HD12 DLE A 12 5.298 5.842 -6.136 1.00 0.00 H new HETATM 0 HD11 DLE A 12 6.579 5.409 -4.979 1.00 0.00 H new HETATM 0 HG DLE A 12 6.534 7.708 -4.083 1.00 0.00 H new HETATM 0 HB3 DLE A 12 4.616 8.369 -6.342 1.00 0.00 H new HETATM 0 HB2 DLE A 12 5.366 9.526 -5.260 1.00 0.00 H new HETATM 0 HA DLE A 12 3.366 7.366 -4.490 1.00 0.00 H new HETATM 0 H DLE A 12 5.297 8.634 -2.799 1.00 0.00 H new ATOM 196 N TRP A 13 1.425 9.006 -4.371 1.00 0.00 N ATOM 197 CA TRP A 13 0.242 9.829 -4.664 1.00 0.00 C ATOM 198 C TRP A 13 -0.858 9.715 -3.587 1.00 0.00 C ATOM 199 O TRP A 13 -1.001 8.685 -2.930 1.00 0.00 O ATOM 200 CB TRP A 13 -0.303 9.458 -6.056 1.00 0.00 C ATOM 201 CG TRP A 13 0.658 9.656 -7.194 1.00 0.00 C ATOM 202 CD1 TRP A 13 0.834 10.805 -7.885 1.00 0.00 C ATOM 203 CD2 TRP A 13 1.639 8.716 -7.729 1.00 0.00 C ATOM 204 NE1 TRP A 13 1.840 10.648 -8.817 1.00 0.00 N ATOM 205 CE2 TRP A 13 2.381 9.380 -8.757 1.00 0.00 C ATOM 206 CE3 TRP A 13 1.993 7.374 -7.440 1.00 0.00 C ATOM 207 CZ2 TRP A 13 3.419 8.745 -9.465 1.00 0.00 C ATOM 208 CZ3 TRP A 13 3.031 6.726 -8.146 1.00 0.00 C ATOM 209 CH2 TRP A 13 3.744 7.409 -9.154 1.00 0.00 C ATOM 0 H TRP A 13 1.191 8.103 -3.959 1.00 0.00 H new ATOM 0 HA TRP A 13 0.555 10.873 -4.656 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -0.612 8.413 -6.041 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.196 10.052 -6.249 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.270 11.713 -7.730 1.00 0.00 H new ATOM 0 HE1 TRP A 13 2.144 11.374 -9.465 1.00 0.00 H new ATOM 0 HE3 TRP A 13 1.461 6.839 -6.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.959 9.274 -10.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 3.280 5.701 -7.913 1.00 0.00 H new ATOM 0 HH2 TRP A 13 4.539 6.908 -9.687 1.00 0.00 H new HETATM 220 N DLE A 14 -1.653 10.784 -3.432 1.00 0.00 N HETATM 221 CA DLE A 14 -2.774 10.895 -2.493 1.00 0.00 C HETATM 222 CB DLE A 14 -4.017 11.433 -3.232 1.00 0.00 C HETATM 223 CG DLE A 14 -4.535 10.538 -4.377 1.00 0.00 C HETATM 224 CD1 DLE A 14 -4.892 9.120 -3.907 1.00 0.00 C HETATM 225 CD2 DLE A 14 -5.790 11.184 -4.982 1.00 0.00 C HETATM 226 C DLE A 14 -2.410 11.798 -1.296 1.00 0.00 C HETATM 227 O DLE A 14 -2.489 13.022 -1.398 1.00 0.00 O HETATM 0 HD23 DLE A 14 -6.557 11.280 -4.213 1.00 0.00 H new HETATM 0 HD22 DLE A 14 -5.540 12.171 -5.370 1.00 0.00 H new HETATM 0 HD21 DLE A 14 -6.165 10.560 -5.793 1.00 0.00 H new HETATM 0 HD13 DLE A 14 -4.007 8.643 -3.485 1.00 0.00 H new HETATM 0 HD12 DLE A 14 -5.672 9.174 -3.147 1.00 0.00 H new HETATM 0 HD11 DLE A 14 -5.251 8.535 -4.754 1.00 0.00 H new HETATM 0 HG DLE A 14 -3.734 10.451 -5.111 1.00 0.00 H new HETATM 0 HB3 DLE A 14 -4.820 11.571 -2.508 1.00 0.00 H new HETATM 0 HB2 DLE A 14 -3.782 12.417 -3.638 1.00 0.00 H new HETATM 0 HA DLE A 14 -2.999 9.905 -2.097 1.00 0.00 H new ATOM 239 N TRP A 15 -2.044 11.195 -0.156 1.00 0.00 N ATOM 240 CA TRP A 15 -1.847 11.875 1.132 1.00 0.00 C ATOM 241 C TRP A 15 -0.648 11.315 1.926 1.00 0.00 C ATOM 242 O TRP A 15 0.030 10.384 1.496 1.00 0.00 O ATOM 243 CB TRP A 15 -3.157 11.785 1.941 1.00 0.00 C ATOM 244 CG TRP A 15 -4.369 12.370 1.272 1.00 0.00 C ATOM 245 CD1 TRP A 15 -4.706 13.680 1.265 1.00 0.00 C ATOM 246 CD2 TRP A 15 -5.371 11.699 0.448 1.00 0.00 C ATOM 247 NE1 TRP A 15 -5.849 13.872 0.516 1.00 0.00 N ATOM 248 CE2 TRP A 15 -6.299 12.683 -0.019 1.00 0.00 C ATOM 249 CE3 TRP A 15 -5.582 10.362 0.027 1.00 0.00 C ATOM 250 CZ2 TRP A 15 -7.386 12.357 -0.852 1.00 0.00 C ATOM 251 CZ3 TRP A 15 -6.679 10.022 -0.796 1.00 0.00 C ATOM 252 CH2 TRP A 15 -7.578 11.015 -1.236 1.00 0.00 C ATOM 0 H TRP A 15 -1.872 10.191 -0.103 1.00 0.00 H new ATOM 0 HA TRP A 15 -1.603 12.920 0.940 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -3.356 10.737 2.163 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -3.010 12.290 2.895 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.160 14.462 1.772 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -6.302 14.775 0.376 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -4.893 9.591 0.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -8.064 13.126 -1.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -6.830 8.994 -1.090 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -8.413 10.747 -1.867 1.00 0.00 H new HETATM 263 CA ETA A 16 0.726 11.514 3.977 1.00 0.00 C HETATM 264 N ETA A 16 -0.380 11.894 3.104 1.00 0.00 N HETATM 265 CB ETA A 16 2.017 12.224 3.546 1.00 0.00 C HETATM 266 O ETA A 16 1.882 13.624 3.701 1.00 0.00 O HETATM 0 HO ETA A 16 2.712 14.065 3.425 1.00 0.00 H new HETATM 0 HB2 ETA A 16 2.855 11.864 4.143 1.00 0.00 H new HETATM 0 HB1 ETA A 16 2.241 11.986 2.506 1.00 0.00 H new HETATM 0 HA2 ETA A 16 0.488 11.773 5.009 1.00 0.00 H new HETATM 0 HA1 ETA A 16 0.869 10.434 3.944 1.00 0.00 H new TER 273 ETA A 16 HETATM 274 C FVA B 1 3.854 -1.048 -0.013 1.00 0.00 C HETATM 275 N FVA B 1 3.148 -1.066 -2.379 1.00 0.00 N HETATM 276 O FVA B 1 3.923 0.156 0.229 1.00 0.00 O HETATM 277 CA FVA B 1 4.153 -1.567 -1.435 1.00 0.00 C HETATM 278 CB FVA B 1 5.572 -1.168 -1.905 1.00 0.00 C HETATM 279 CG1 FVA B 1 6.647 -1.691 -0.934 1.00 0.00 C HETATM 280 CG2 FVA B 1 5.887 -1.696 -3.316 1.00 0.00 C HETATM 287 O1 FVA B 1 2.687 -3.015 -3.402 1.00 0.00 O HETATM 289 CN FVA B 1 2.507 -1.805 -3.291 1.00 0.00 C HETATM 0 HG23 FVA B 1 5.823 -2.784 -3.320 1.00 0.00 H new HETATM 0 HG22 FVA B 1 5.168 -1.288 -4.026 1.00 0.00 H new HETATM 0 HG21 FVA B 1 6.893 -1.391 -3.602 1.00 0.00 H new HETATM 0 HG13 FVA B 1 6.478 -1.270 0.057 1.00 0.00 H new HETATM 0 HG12 FVA B 1 6.591 -2.778 -0.881 1.00 0.00 H new HETATM 0 HG11 FVA B 1 7.634 -1.395 -1.290 1.00 0.00 H new HETATM 0 HN FVA B 1 1.799 -1.316 -3.960 1.00 0.00 H new HETATM 0 HB FVA B 1 5.589 -0.078 -1.925 1.00 0.00 H new HETATM 0 HA FVA B 1 4.108 -2.656 -1.405 1.00 0.00 H new HETATM 0 H FVA B 1 2.919 -0.073 -2.336 1.00 0.00 H new ATOM 293 N GLY B 2 3.553 -1.949 0.934 1.00 0.00 N ATOM 294 CA GLY B 2 3.378 -1.639 2.357 1.00 0.00 C ATOM 295 C GLY B 2 2.072 -2.190 2.945 1.00 0.00 C ATOM 296 O GLY B 2 2.096 -3.156 3.708 1.00 0.00 O ATOM 0 H GLY B 2 3.422 -2.938 0.724 1.00 0.00 H new ATOM 0 HA2 GLY B 2 4.220 -2.047 2.916 1.00 0.00 H new ATOM 0 HA3 GLY B 2 3.400 -0.557 2.491 1.00 0.00 H new ATOM 300 N ALA B 3 0.929 -1.566 2.628 1.00 0.00 N ATOM 301 CA ALA B 3 -0.372 -1.923 3.201 1.00 0.00 C ATOM 302 C ALA B 3 -1.571 -1.565 2.297 1.00 0.00 C ATOM 303 O ALA B 3 -1.504 -0.666 1.460 1.00 0.00 O ATOM 304 CB ALA B 3 -0.503 -1.294 4.597 1.00 0.00 C ATOM 0 H ALA B 3 0.883 -0.795 1.962 1.00 0.00 H new ATOM 0 HA ALA B 3 -0.403 -3.009 3.285 1.00 0.00 H new ATOM 0 HB1 ALA B 3 -1.470 -1.558 5.026 1.00 0.00 H new ATOM 0 HB2 ALA B 3 0.293 -1.668 5.241 1.00 0.00 H new ATOM 0 HB3 ALA B 3 -0.426 -0.210 4.516 1.00 0.00 H new HETATM 310 N DLE B 4 -2.683 -2.285 2.489 1.00 0.00 N HETATM 311 CA DLE B 4 -3.933 -2.171 1.735 1.00 0.00 C HETATM 312 CB DLE B 4 -5.129 -2.221 2.710 1.00 0.00 C HETATM 313 CG DLE B 4 -5.521 -0.844 3.285 1.00 0.00 C HETATM 314 CD1 DLE B 4 -6.768 -0.992 4.170 1.00 0.00 C HETATM 315 CD2 DLE B 4 -4.388 -0.186 4.088 1.00 0.00 C HETATM 316 C DLE B 4 -3.990 -3.291 0.679 1.00 0.00 C HETATM 317 O DLE B 4 -4.471 -4.391 0.953 1.00 0.00 O HETATM 0 HD23 DLE B 4 -4.114 -0.829 4.925 1.00 0.00 H new HETATM 0 HD22 DLE B 4 -3.521 -0.041 3.443 1.00 0.00 H new HETATM 0 HD21 DLE B 4 -4.724 0.779 4.467 1.00 0.00 H new HETATM 0 HD13 DLE B 4 -7.592 -1.384 3.574 1.00 0.00 H new HETATM 0 HD12 DLE B 4 -6.554 -1.679 4.989 1.00 0.00 H new HETATM 0 HD11 DLE B 4 -7.044 -0.019 4.576 1.00 0.00 H new HETATM 0 HG DLE B 4 -5.731 -0.190 2.438 1.00 0.00 H new HETATM 0 HB3 DLE B 4 -5.989 -2.647 2.194 1.00 0.00 H new HETATM 0 HB2 DLE B 4 -4.887 -2.893 3.534 1.00 0.00 H new HETATM 0 HA DLE B 4 -3.981 -1.217 1.210 1.00 0.00 H new HETATM 0 H DLE B 4 -2.707 -2.379 3.504 1.00 0.00 H new ATOM 329 N ALA B 5 -3.494 -3.008 -0.530 1.00 0.00 N ATOM 330 CA ALA B 5 -3.442 -3.933 -1.662 1.00 0.00 C ATOM 331 C ALA B 5 -2.126 -3.774 -2.449 1.00 0.00 C ATOM 332 O ALA B 5 -1.759 -2.664 -2.835 1.00 0.00 O ATOM 333 CB ALA B 5 -4.673 -3.718 -2.552 1.00 0.00 C ATOM 0 H ALA B 5 -3.103 -2.093 -0.753 1.00 0.00 H new ATOM 0 HA ALA B 5 -3.460 -4.958 -1.291 1.00 0.00 H new ATOM 0 HB1 ALA B 5 -4.636 -4.406 -3.396 1.00 0.00 H new ATOM 0 HB2 ALA B 5 -5.578 -3.902 -1.973 1.00 0.00 H new ATOM 0 HB3 ALA B 5 -4.681 -2.692 -2.920 1.00 0.00 H new HETATM 339 N DVA B 6 -1.421 -4.889 -2.683 1.00 0.00 N HETATM 340 CA DVA B 6 -0.113 -4.957 -3.346 1.00 0.00 C HETATM 341 CB DVA B 6 -0.277 -5.285 -4.848 1.00 0.00 C HETATM 342 CG1 DVA B 6 -1.198 -4.286 -5.572 1.00 0.00 C HETATM 343 CG2 DVA B 6 1.083 -5.297 -5.569 1.00 0.00 C HETATM 344 C DVA B 6 0.767 -6.006 -2.636 1.00 0.00 C HETATM 345 O DVA B 6 0.301 -7.106 -2.340 1.00 0.00 O HETATM 0 HG23 DVA B 6 1.552 -4.317 -5.477 1.00 0.00 H new HETATM 0 HG22 DVA B 6 1.727 -6.051 -5.118 1.00 0.00 H new HETATM 0 HG21 DVA B 6 0.934 -5.531 -6.623 1.00 0.00 H new HETATM 0 HG13 DVA B 6 -2.187 -4.306 -5.114 1.00 0.00 H new HETATM 0 HG12 DVA B 6 -0.781 -3.282 -5.491 1.00 0.00 H new HETATM 0 HG11 DVA B 6 -1.279 -4.562 -6.623 1.00 0.00 H new HETATM 0 HB DVA B 6 -0.731 -6.275 -4.886 1.00 0.00 H new HETATM 0 HA DVA B 6 0.377 -3.986 -3.278 1.00 0.00 H new ATOM 355 N VAL B 7 2.034 -5.673 -2.356 1.00 0.00 N ATOM 356 CA VAL B 7 2.970 -6.500 -1.583 1.00 0.00 C ATOM 357 C VAL B 7 3.240 -5.849 -0.210 1.00 0.00 C ATOM 358 O VAL B 7 3.641 -4.689 -0.135 1.00 0.00 O ATOM 359 CB VAL B 7 4.239 -6.798 -2.417 1.00 0.00 C ATOM 360 CG1 VAL B 7 5.061 -5.554 -2.790 1.00 0.00 C ATOM 361 CG2 VAL B 7 5.145 -7.816 -1.711 1.00 0.00 C ATOM 0 H VAL B 7 2.448 -4.795 -2.670 1.00 0.00 H new ATOM 0 HA VAL B 7 2.530 -7.474 -1.367 1.00 0.00 H new ATOM 0 HB VAL B 7 3.862 -7.216 -3.351 1.00 0.00 H new ATOM 0 HG11 VAL B 7 5.931 -5.854 -3.373 1.00 0.00 H new ATOM 0 HG12 VAL B 7 4.446 -4.875 -3.380 1.00 0.00 H new ATOM 0 HG13 VAL B 7 5.390 -5.049 -1.882 1.00 0.00 H new ATOM 0 HG21 VAL B 7 6.027 -8.004 -2.323 1.00 0.00 H new ATOM 0 HG22 VAL B 7 5.452 -7.420 -0.743 1.00 0.00 H new ATOM 0 HG23 VAL B 7 4.600 -8.749 -1.565 1.00 0.00 H new HETATM 371 N DVA B 8 2.972 -6.573 0.887 1.00 0.00 N HETATM 372 CA DVA B 8 2.993 -6.052 2.260 1.00 0.00 C HETATM 373 CB DVA B 8 4.358 -6.316 2.941 1.00 0.00 C HETATM 374 CG1 DVA B 8 5.541 -5.718 2.161 1.00 0.00 C HETATM 375 CG2 DVA B 8 4.385 -5.721 4.361 1.00 0.00 C HETATM 376 C DVA B 8 1.833 -6.666 3.069 1.00 0.00 C HETATM 377 O DVA B 8 1.826 -7.873 3.307 1.00 0.00 O HETATM 0 HG23 DVA B 8 4.222 -4.645 4.308 1.00 0.00 H new HETATM 0 HG22 DVA B 8 3.599 -6.178 4.962 1.00 0.00 H new HETATM 0 HG21 DVA B 8 5.354 -5.919 4.820 1.00 0.00 H new HETATM 0 HG13 DVA B 8 5.578 -6.156 1.163 1.00 0.00 H new HETATM 0 HG12 DVA B 8 5.414 -4.638 2.079 1.00 0.00 H new HETATM 0 HG11 DVA B 8 6.471 -5.935 2.687 1.00 0.00 H new HETATM 0 HB DVA B 8 4.467 -7.400 2.970 1.00 0.00 H new HETATM 0 HA DVA B 8 2.858 -4.971 2.225 1.00 0.00 H new ATOM 387 N TRP B 9 0.868 -5.846 3.512 1.00 0.00 N ATOM 388 CA TRP B 9 -0.264 -6.262 4.351 1.00 0.00 C ATOM 389 C TRP B 9 -1.640 -5.993 3.697 1.00 0.00 C ATOM 390 O TRP B 9 -1.868 -4.923 3.135 1.00 0.00 O ATOM 391 CB TRP B 9 -0.151 -5.576 5.722 1.00 0.00 C ATOM 392 CG TRP B 9 -1.258 -5.913 6.679 1.00 0.00 C ATOM 393 CD1 TRP B 9 -1.308 -7.001 7.481 1.00 0.00 C ATOM 394 CD2 TRP B 9 -2.526 -5.218 6.870 1.00 0.00 C ATOM 395 NE1 TRP B 9 -2.511 -7.032 8.158 1.00 0.00 N ATOM 396 CE2 TRP B 9 -3.308 -5.959 7.811 1.00 0.00 C ATOM 397 CE3 TRP B 9 -3.110 -4.052 6.317 1.00 0.00 C ATOM 398 CZ2 TRP B 9 -4.606 -5.562 8.184 1.00 0.00 C ATOM 399 CZ3 TRP B 9 -4.399 -3.628 6.707 1.00 0.00 C ATOM 400 CH2 TRP B 9 -5.149 -4.384 7.633 1.00 0.00 C ATOM 0 H TRP B 9 0.854 -4.850 3.291 1.00 0.00 H new ATOM 0 HA TRP B 9 -0.210 -7.344 4.473 1.00 0.00 H new ATOM 0 HB2 TRP B 9 0.801 -5.852 6.175 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -0.132 -4.496 5.574 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -0.523 -7.737 7.578 1.00 0.00 H new ATOM 0 HE1 TRP B 9 -2.777 -7.754 8.828 1.00 0.00 H new ATOM 0 HE3 TRP B 9 -2.561 -3.478 5.585 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 -5.179 -6.153 8.884 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 -4.813 -2.720 6.294 1.00 0.00 H new ATOM 0 HH2 TRP B 9 -6.139 -4.060 7.919 1.00 0.00 H new HETATM 411 N DLE B 10 -2.578 -6.945 3.821 1.00 0.00 N HETATM 412 CA DLE B 10 -3.973 -6.841 3.376 1.00 0.00 C HETATM 413 CB DLE B 10 -4.907 -7.134 4.567 1.00 0.00 C HETATM 414 CG DLE B 10 -6.401 -6.863 4.308 1.00 0.00 C HETATM 415 CD1 DLE B 10 -7.217 -7.375 5.506 1.00 0.00 C HETATM 416 CD2 DLE B 10 -6.693 -5.369 4.102 1.00 0.00 C HETATM 417 C DLE B 10 -4.231 -7.805 2.203 1.00 0.00 C HETATM 418 O DLE B 10 -4.439 -9.000 2.420 1.00 0.00 O HETATM 0 HD23 DLE B 10 -6.398 -4.814 4.993 1.00 0.00 H new HETATM 0 HD22 DLE B 10 -6.129 -5.003 3.244 1.00 0.00 H new HETATM 0 HD21 DLE B 10 -7.759 -5.228 3.923 1.00 0.00 H new HETATM 0 HD13 DLE B 10 -7.053 -8.446 5.627 1.00 0.00 H new HETATM 0 HD12 DLE B 10 -6.901 -6.855 6.410 1.00 0.00 H new HETATM 0 HD11 DLE B 10 -8.276 -7.187 5.331 1.00 0.00 H new HETATM 0 HG DLE B 10 -6.681 -7.385 3.393 1.00 0.00 H new HETATM 0 HB3 DLE B 10 -4.788 -8.179 4.854 1.00 0.00 H new HETATM 0 HB2 DLE B 10 -4.586 -6.532 5.417 1.00 0.00 H new HETATM 0 HA DLE B 10 -4.174 -5.831 3.018 1.00 0.00 H new ATOM 430 N PHE B 11 -4.218 -7.290 0.968 1.00 0.00 N ATOM 431 CA PHE B 11 -4.512 -8.038 -0.260 1.00 0.00 C ATOM 432 C PHE B 11 -3.288 -8.128 -1.194 1.00 0.00 C ATOM 433 O PHE B 11 -2.473 -7.210 -1.257 1.00 0.00 O ATOM 434 CB PHE B 11 -5.710 -7.385 -0.973 1.00 0.00 C ATOM 435 CG PHE B 11 -6.960 -7.251 -0.114 1.00 0.00 C ATOM 436 CD1 PHE B 11 -7.650 -8.409 0.313 1.00 0.00 C ATOM 437 CD2 PHE B 11 -7.384 -5.980 0.336 1.00 0.00 C ATOM 438 CE1 PHE B 11 -8.765 -8.295 1.170 1.00 0.00 C ATOM 439 CE2 PHE B 11 -8.505 -5.866 1.186 1.00 0.00 C ATOM 440 CZ PHE B 11 -9.194 -7.023 1.605 1.00 0.00 C ATOM 0 H PHE B 11 -3.996 -6.311 0.790 1.00 0.00 H new ATOM 0 HA PHE B 11 -4.765 -9.063 0.012 1.00 0.00 H new ATOM 0 HB2 PHE B 11 -5.415 -6.395 -1.319 1.00 0.00 H new ATOM 0 HB3 PHE B 11 -5.954 -7.972 -1.858 1.00 0.00 H new ATOM 0 HD1 PHE B 11 -7.323 -9.384 -0.018 1.00 0.00 H new ATOM 0 HD2 PHE B 11 -6.849 -5.094 0.029 1.00 0.00 H new ATOM 0 HE1 PHE B 11 -9.290 -9.182 1.493 1.00 0.00 H new ATOM 0 HE2 PHE B 11 -8.835 -4.892 1.516 1.00 0.00 H new ATOM 0 HZ PHE B 11 -10.049 -6.936 2.258 1.00 0.00 H new HETATM 450 N DLE B 12 -3.186 -9.230 -1.948 1.00 0.00 N HETATM 451 CA DLE B 12 -2.148 -9.475 -2.954 1.00 0.00 C HETATM 452 CB DLE B 12 -2.809 -9.980 -4.254 1.00 0.00 C HETATM 453 CG DLE B 12 -3.902 -9.051 -4.825 1.00 0.00 C HETATM 454 CD1 DLE B 12 -3.383 -7.634 -5.116 1.00 0.00 C HETATM 455 CD2 DLE B 12 -4.467 -9.663 -6.116 1.00 0.00 C HETATM 456 C DLE B 12 -1.093 -10.463 -2.418 1.00 0.00 C HETATM 457 O DLE B 12 -1.242 -11.674 -2.583 1.00 0.00 O HETATM 0 HD23 DLE B 12 -3.666 -9.775 -6.847 1.00 0.00 H new HETATM 0 HD22 DLE B 12 -4.897 -10.640 -5.897 1.00 0.00 H new HETATM 0 HD21 DLE B 12 -5.239 -9.009 -6.521 1.00 0.00 H new HETATM 0 HD13 DLE B 12 -3.012 -7.186 -4.194 1.00 0.00 H new HETATM 0 HD12 DLE B 12 -2.574 -7.685 -5.845 1.00 0.00 H new HETATM 0 HD11 DLE B 12 -4.194 -7.025 -5.515 1.00 0.00 H new HETATM 0 HG DLE B 12 -4.680 -8.961 -4.067 1.00 0.00 H new HETATM 0 HB3 DLE B 12 -2.035 -10.116 -5.010 1.00 0.00 H new HETATM 0 HB2 DLE B 12 -3.246 -10.960 -4.066 1.00 0.00 H new HETATM 0 HA DLE B 12 -1.624 -8.546 -3.176 1.00 0.00 H new HETATM 0 H DLE B 12 -4.166 -9.399 -2.175 1.00 0.00 H new ATOM 469 N TRP B 13 -0.026 -9.953 -1.784 1.00 0.00 N ATOM 470 CA TRP B 13 1.114 -10.747 -1.300 1.00 0.00 C ATOM 471 C TRP B 13 1.661 -10.258 0.058 1.00 0.00 C ATOM 472 O TRP B 13 1.578 -9.076 0.389 1.00 0.00 O ATOM 473 CB TRP B 13 2.219 -10.755 -2.372 1.00 0.00 C ATOM 474 CG TRP B 13 1.819 -11.332 -3.701 1.00 0.00 C ATOM 475 CD1 TRP B 13 1.877 -12.640 -4.041 1.00 0.00 C ATOM 476 CD2 TRP B 13 1.220 -10.651 -4.845 1.00 0.00 C ATOM 477 NE1 TRP B 13 1.372 -12.822 -5.312 1.00 0.00 N ATOM 478 CE2 TRP B 13 0.940 -11.628 -5.852 1.00 0.00 C ATOM 479 CE3 TRP B 13 0.865 -9.308 -5.130 1.00 0.00 C ATOM 480 CZ2 TRP B 13 0.343 -11.291 -7.081 1.00 0.00 C ATOM 481 CZ3 TRP B 13 0.267 -8.959 -6.361 1.00 0.00 C ATOM 482 CH2 TRP B 13 0.004 -9.946 -7.334 1.00 0.00 C ATOM 0 H TRP B 13 0.070 -8.956 -1.589 1.00 0.00 H new ATOM 0 HA TRP B 13 0.759 -11.763 -1.126 1.00 0.00 H new ATOM 0 HB2 TRP B 13 2.560 -9.731 -2.527 1.00 0.00 H new ATOM 0 HB3 TRP B 13 3.069 -11.320 -1.990 1.00 0.00 H new ATOM 0 HD1 TRP B 13 2.262 -13.427 -3.410 1.00 0.00 H new ATOM 0 HE1 TRP B 13 1.324 -13.722 -5.790 1.00 0.00 H new ATOM 0 HE3 TRP B 13 1.055 -8.540 -4.394 1.00 0.00 H new ATOM 0 HZ2 TRP B 13 0.147 -12.053 -7.821 1.00 0.00 H new ATOM 0 HZ3 TRP B 13 0.009 -7.929 -6.559 1.00 0.00 H new ATOM 0 HH2 TRP B 13 -0.456 -9.672 -8.272 1.00 0.00 H new HETATM 493 N DLE B 14 2.244 -11.184 0.834 1.00 0.00 N HETATM 494 CA DLE B 14 2.853 -10.949 2.147 1.00 0.00 C HETATM 495 CB DLE B 14 4.254 -11.593 2.191 1.00 0.00 C HETATM 496 CG DLE B 14 5.264 -11.032 1.170 1.00 0.00 C HETATM 497 CD1 DLE B 14 5.480 -9.519 1.318 1.00 0.00 C HETATM 498 CD2 DLE B 14 6.612 -11.741 1.365 1.00 0.00 C HETATM 499 C DLE B 14 1.959 -11.492 3.281 1.00 0.00 C HETATM 500 O DLE B 14 1.993 -12.687 3.577 1.00 0.00 O HETATM 0 HD23 DLE B 14 6.974 -11.563 2.378 1.00 0.00 H new HETATM 0 HD22 DLE B 14 6.486 -12.812 1.208 1.00 0.00 H new HETATM 0 HD21 DLE B 14 7.335 -11.352 0.648 1.00 0.00 H new HETATM 0 HD13 DLE B 14 4.533 -9.000 1.169 1.00 0.00 H new HETATM 0 HD12 DLE B 14 5.860 -9.302 2.316 1.00 0.00 H new HETATM 0 HD11 DLE B 14 6.200 -9.180 0.574 1.00 0.00 H new HETATM 0 HG DLE B 14 4.856 -11.211 0.175 1.00 0.00 H new HETATM 0 HB3 DLE B 14 4.664 -11.465 3.193 1.00 0.00 H new HETATM 0 HB2 DLE B 14 4.150 -12.665 2.024 1.00 0.00 H new HETATM 0 HA DLE B 14 2.953 -9.874 2.299 1.00 0.00 H new ATOM 512 N TRP B 15 1.186 -10.614 3.934 1.00 0.00 N ATOM 513 CA TRP B 15 0.419 -10.908 5.152 1.00 0.00 C ATOM 514 C TRP B 15 -0.965 -10.224 5.168 1.00 0.00 C ATOM 515 O TRP B 15 -1.335 -9.500 4.245 1.00 0.00 O ATOM 516 CB TRP B 15 1.267 -10.505 6.376 1.00 0.00 C ATOM 517 CG TRP B 15 2.607 -11.178 6.480 1.00 0.00 C ATOM 518 CD1 TRP B 15 2.829 -12.410 6.992 1.00 0.00 C ATOM 519 CD2 TRP B 15 3.904 -10.706 6.003 1.00 0.00 C ATOM 520 NE1 TRP B 15 4.166 -12.734 6.886 1.00 0.00 N ATOM 521 CE2 TRP B 15 4.877 -11.721 6.276 1.00 0.00 C ATOM 522 CE3 TRP B 15 4.360 -9.535 5.348 1.00 0.00 C ATOM 523 CZ2 TRP B 15 6.233 -11.577 5.927 1.00 0.00 C ATOM 524 CZ3 TRP B 15 5.722 -9.374 5.007 1.00 0.00 C ATOM 525 CH2 TRP B 15 6.656 -10.391 5.293 1.00 0.00 C ATOM 0 H TRP B 15 1.074 -9.650 3.620 1.00 0.00 H new ATOM 0 HA TRP B 15 0.212 -11.978 5.182 1.00 0.00 H new ATOM 0 HB2 TRP B 15 1.422 -9.426 6.351 1.00 0.00 H new ATOM 0 HB3 TRP B 15 0.698 -10.724 7.279 1.00 0.00 H new ATOM 0 HD1 TRP B 15 2.070 -13.047 7.421 1.00 0.00 H new ATOM 0 HE1 TRP B 15 4.575 -13.608 7.216 1.00 0.00 H new ATOM 0 HE3 TRP B 15 3.655 -8.753 5.106 1.00 0.00 H new ATOM 0 HZ2 TRP B 15 6.940 -12.365 6.142 1.00 0.00 H new ATOM 0 HZ3 TRP B 15 6.050 -8.465 4.524 1.00 0.00 H new ATOM 0 HH2 TRP B 15 7.695 -10.261 5.027 1.00 0.00 H new HETATM 536 CA ETA B 16 -3.087 -9.916 6.408 1.00 0.00 C HETATM 537 N ETA B 16 -1.743 -10.457 6.233 1.00 0.00 N HETATM 538 CB ETA B 16 -4.118 -10.802 5.694 1.00 0.00 C HETATM 539 O ETA B 16 -4.152 -12.088 6.285 1.00 0.00 O HETATM 0 HO ETA B 16 -4.814 -12.643 5.823 1.00 0.00 H new HETATM 0 HB2 ETA B 16 -5.105 -10.342 5.750 1.00 0.00 H new HETATM 0 HB1 ETA B 16 -3.866 -10.886 4.637 1.00 0.00 H new HETATM 0 HA2 ETA B 16 -3.325 -9.853 7.470 1.00 0.00 H new HETATM 0 HA1 ETA B 16 -3.132 -8.902 6.011 1.00 0.00 H new TER 546 ETA B 16 CONECT 1 3 4 20 CONECT 2 4 8 16 CONECT 3 1 CONECT 4 1 2 5 9 CONECT 5 4 6 7 10 CONECT 6 5 11 12 13 CONECT 7 5 15 17 18 CONECT 8 2 CONECT 9 4 CONECT 10 5 CONECT 11 6 CONECT 12 6 CONECT 13 6 CONECT 14 16 CONECT 15 7 CONECT 16 2 14 19 CONECT 17 7 CONECT 18 7 CONECT 19 16 CONECT 20 1 CONECT 29 37 CONECT 37 29 38 45 CONECT 38 37 39 43 46 CONECT 39 38 40 47 48 CONECT 40 39 41 42 49 CONECT 41 40 50 51 52 CONECT 42 40 53 54 55 CONECT 43 38 44 56 CONECT 44 43 CONECT 45 37 CONECT 46 38 CONECT 47 39 CONECT 48 39 CONECT 49 40 CONECT 50 41 CONECT 51 41 CONECT 52 41 CONECT 53 42 CONECT 54 42 CONECT 55 42 CONECT 56 43 CONECT 58 66 CONECT 66 58 67 73 CONECT 67 66 68 71 74 CONECT 68 67 69 70 75 CONECT 69 68 76 77 78 CONECT 70 68 79 80 81 CONECT 71 67 72 82 CONECT 72 71 CONECT 73 66 CONECT 74 67 CONECT 75 68 CONECT 76 69 CONECT 77 69 CONECT 78 69 CONECT 79 70 CONECT 80 70 CONECT 81 70 CONECT 82 71 CONECT 84 98 CONECT 98 84 99 105 CONECT 99 98 100 103 106 CONECT 100 99 101 102 107 CONECT 101 100 108 109 110 CONECT 102 100 111 112 113 CONECT 103 99 104 114 CONECT 104 103 CONECT 105 98 CONECT 106 99 CONECT 107 100 CONECT 108 101 CONECT 109 101 CONECT 110 101 CONECT 111 102 CONECT 112 102 CONECT 113 102 CONECT 114 103 CONECT 116 138 CONECT 138 116 139 146 CONECT 139 138 140 144 147 CONECT 140 139 141 148 149 CONECT 141 140 142 143 150 CONECT 142 141 151 152 153 CONECT 143 141 154 155 156 CONECT 144 139 145 157 CONECT 145 144 CONECT 146 138 CONECT 147 139 CONECT 148 140 CONECT 149 140 CONECT 150 141 CONECT 151 142 CONECT 152 142 CONECT 153 142 CONECT 154 143 CONECT 155 143 CONECT 156 143 CONECT 157 144 CONECT 159 177 CONECT 177 159 178 185 CONECT 178 177 179 183 186 CONECT 179 178 180 187 188 CONECT 180 179 181 182 189 CONECT 181 180 190 191 192 CONECT 182 180 193 194 195 CONECT 183 178 184 196 CONECT 184 183 CONECT 185 177 CONECT 186 178 CONECT 187 179 CONECT 188 179 CONECT 189 180 CONECT 190 181 CONECT 191 181 CONECT 192 181 CONECT 193 182 CONECT 194 182 CONECT 195 182 CONECT 196 183 CONECT 198 220 CONECT 220 198 221 228 CONECT 221 220 222 226 229 CONECT 222 221 223 230 231 CONECT 223 222 224 225 232 CONECT 224 223 233 234 235 CONECT 225 223 236 237 238 CONECT 226 221 227 239 CONECT 227 226 CONECT 228 220 CONECT 229 221 CONECT 230 222 CONECT 231 222 CONECT 232 223 CONECT 233 224 CONECT 234 224 CONECT 235 224 CONECT 236 225 CONECT 237 225 CONECT 238 225 CONECT 239 226 CONECT 241 264 CONECT 263 264 265 267 268 CONECT 264 241 263 269 CONECT 265 263 266 270 271 CONECT 266 265 272 CONECT 267 263 CONECT 268 263 CONECT 269 264 CONECT 270 265 CONECT 271 265 CONECT 272 266 CONECT 274 276 277 293 CONECT 275 277 281 289 CONECT 276 274 CONECT 277 274 275 278 282 CONECT 278 277 279 280 283 CONECT 279 278 284 285 286 CONECT 280 278 288 290 291 CONECT 281 275 CONECT 282 277 CONECT 283 278 CONECT 284 279 CONECT 285 279 CONECT 286 279 CONECT 287 289 CONECT 288 280 CONECT 289 275 287 292 CONECT 290 280 CONECT 291 280 CONECT 292 289 CONECT 293 274 CONECT 302 310 CONECT 310 302 311 318 CONECT 311 310 312 316 319 CONECT 312 311 313 320 321 CONECT 313 312 314 315 322 CONECT 314 313 323 324 325 CONECT 315 313 326 327 328 CONECT 316 311 317 329 CONECT 317 316 CONECT 318 310 CONECT 319 311 CONECT 320 312 CONECT 321 312 CONECT 322 313 CONECT 323 314 CONECT 324 314 CONECT 325 314 CONECT 326 315 CONECT 327 315 CONECT 328 315 CONECT 329 316 CONECT 331 339 CONECT 339 331 340 346 CONECT 340 339 341 344 347 CONECT 341 340 342 343 348 CONECT 342 341 349 350 351 CONECT 343 341 352 353 354 CONECT 344 340 345 355 CONECT 345 344 CONECT 346 339 CONECT 347 340 CONECT 348 341 CONECT 349 342 CONECT 350 342 CONECT 351 342 CONECT 352 343 CONECT 353 343 CONECT 354 343 CONECT 355 344 CONECT 357 371 CONECT 371 357 372 378 CONECT 372 371 373 376 379 CONECT 373 372 374 375 380 CONECT 374 373 381 382 383 CONECT 375 373 384 385 386 CONECT 376 372 377 387 CONECT 377 376 CONECT 378 371 CONECT 379 372 CONECT 380 373 CONECT 381 374 CONECT 382 374 CONECT 383 374 CONECT 384 375 CONECT 385 375 CONECT 386 375 CONECT 387 376 CONECT 389 411 CONECT 411 389 412 419 CONECT 412 411 413 417 420 CONECT 413 412 414 421 422 CONECT 414 413 415 416 423 CONECT 415 414 424 425 426 CONECT 416 414 427 428 429 CONECT 417 412 418 430 CONECT 418 417 CONECT 419 411 CONECT 420 412 CONECT 421 413 CONECT 422 413 CONECT 423 414 CONECT 424 415 CONECT 425 415 CONECT 426 415 CONECT 427 416 CONECT 428 416 CONECT 429 416 CONECT 430 417 CONECT 432 450 CONECT 450 432 451 458 CONECT 451 450 452 456 459 CONECT 452 451 453 460 461 CONECT 453 452 454 455 462 CONECT 454 453 463 464 465 CONECT 455 453 466 467 468 CONECT 456 451 457 469 CONECT 457 456 CONECT 458 450 CONECT 459 451 CONECT 460 452 CONECT 461 452 CONECT 462 453 CONECT 463 454 CONECT 464 454 CONECT 465 454 CONECT 466 455 CONECT 467 455 CONECT 468 455 CONECT 469 456 CONECT 471 493 CONECT 493 471 494 501 CONECT 494 493 495 499 502 CONECT 495 494 496 503 504 CONECT 496 495 497 498 505 CONECT 497 496 506 507 508 CONECT 498 496 509 510 511 CONECT 499 494 500 512 CONECT 500 499 CONECT 501 493 CONECT 502 494 CONECT 503 495 CONECT 504 495 CONECT 505 496 CONECT 506 497 CONECT 507 497 CONECT 508 497 CONECT 509 498 CONECT 510 498 CONECT 511 498 CONECT 512 499 CONECT 514 537 CONECT 536 537 538 540 541 CONECT 537 514 536 542 CONECT 538 536 539 543 544 CONECT 539 538 545 CONECT 540 536 CONECT 541 536 CONECT 542 537 CONECT 543 538 CONECT 544 538 CONECT 545 539 END