USER MOD reduce.3.24.130724 H: found=0, std=0, add=258, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 266 hydrogens (156 hets) HEADER ANTIBIOTIC 17-DEC-02 1NG8 TITLE G15-GRAMICIDIN A IN SODIUM DODECYL SULFATE MICELLES (NMR) COMPND MOL_ID: 1; COMPND 2 MOLECULE: GRAMICIDIN A; COMPND 3 CHAIN: A, B; COMPND 4 SYNONYM: VALYL GRAMICIDIN; COMPND 5 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 ORGANISM_SCIENTIFIC: BREVIBACILLUS BREVIS; SOURCE 4 ORGANISM_TAXID: 1393; SOURCE 5 OTHER_DETAILS: MUTATION TRP15 TO GLY KEYWDS ANTIBIOTIC, GRAMICIDIN, ANTIFUNGAL, ANTIBACTERIAL, SDS MICELLES, KEYWDS 2 MEMBRANE ION CHANNEL, LINEAR GRAMICIDIN EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR S.S.SHAM,L.E.TOWNSLEY,J.F.HINTON REVDAT 5 27-JUL-11 1NG8 1 ATOM HETATM REMARK SEQRES REVDAT 4 13-JUL-11 1NG8 1 VERSN REVDAT 3 24-FEB-09 1NG8 1 VERSN REVDAT 2 18-FEB-03 1NG8 1 JRNL REMARK REVDAT 1 31-DEC-02 1NG8 0 JRNL AUTH S.S.SHAM,S.SHOBANA,L.E.TOWNSLEY,J.B.JORDAN,J.Q.FERNANDEZ, JRNL AUTH 2 O.S.ANDERSEN,D.V.GREATHOUSE,J.F.HINTON JRNL TITL THE STRUCTURE, CATION BINDING, TRANSPORT AND CONDUCTANCE OF JRNL TITL 2 GLY15-GRAMICIDIN A INCORPORATED INTO SDS MICELLES AND PC/PG JRNL TITL 3 VESICLES JRNL REF BIOCHEMISTRY V. 42 1401 2003 JRNL REFN ISSN 0006-2960 JRNL PMID 12578352 JRNL DOI 10.1021/BI0204286 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 530 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 1NG8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-DEC-02. REMARK 100 THE RCSB ID CODE IS RCSB017848. 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 G15-GRAMICIDIN A, 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: 780 ANGSTROM**2 REMARK 350 SURFACE AREA OF THE COMPLEX: 2650 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 A REMARK 400 CHAIN: A, B, C ,D 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 VALINE 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 A REMARK 800 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR CHAIN B OF GRAMICIDIN A 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: 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: 1JO3 RELATED DB: PDB REMARK 900 SOLUTION STRUCTURE OF GRAMICIDIN B 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 1NG8 A 1 16 NOR NOR00243 NOR00243 1 16 DBREF 1NG8 B 1 16 NOR NOR00243 NOR00243 1 16 SEQADV 1NG8 GLY A 15 NOR NOR00243 TRP 15 ENGINEERED MUTATION SEQADV 1NG8 GLY B 15 NOR NOR00243 TRP 15 ENGINEERED MUTATION SEQRES 1 A 16 FVA GLY ALA DLE ALA DVA VAL DVA TRP DLE TRP DLE TRP SEQRES 2 A 16 DLE GLY ETA SEQRES 1 B 16 FVA GLY ALA DLE ALA DVA VAL DVA TRP DLE TRP DLE TRP SEQRES 2 B 16 DLE GLY 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 GLY A 15 0 SHEET 2 AA 2 GLY B 2 GLY 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 TRP A 11 1555 1555 1.34 LINK C TRP 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 GLY A 15 1555 1555 1.34 LINK C GLY 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 TRP B 11 1555 1555 1.34 LINK C TRP 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 GLY B 15 1555 1555 1.34 LINK C GLY 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 0.000000 1.000000 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 TRP 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 GLY 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 TRP 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 GLY C :(H bumps) USER MOD Single : A 16 ETA O : rot 180:sc= 0.465 USER MOD Single : B 16 ETA O : rot 180:sc= 0.455 USER MOD ----------------------------------------------------------------- HETATM 1 C FVA A 1 3.610 0.909 -0.201 1.00 0.00 C HETATM 2 N FVA A 1 3.134 0.528 2.223 1.00 0.00 N HETATM 3 O FVA A 1 3.424 -0.282 -0.437 1.00 0.00 O HETATM 4 CA FVA A 1 3.837 1.380 1.250 1.00 0.00 C HETATM 5 CB FVA A 1 5.351 1.507 1.573 1.00 0.00 C HETATM 6 CG1 FVA A 1 5.631 1.809 3.056 1.00 0.00 C HETATM 7 CG2 FVA A 1 6.181 0.280 1.155 1.00 0.00 C HETATM 13 O1 FVA A 1 2.511 2.177 3.621 1.00 0.00 O HETATM 14 CN FVA A 1 2.500 0.986 3.310 1.00 0.00 C HETATM 0 HG23 FVA A 1 5.812 -0.603 1.676 1.00 0.00 H new HETATM 0 HG22 FVA A 1 6.092 0.130 0.079 1.00 0.00 H new HETATM 0 HG21 FVA A 1 7.227 0.443 1.413 1.00 0.00 H new HETATM 0 HG13 FVA A 1 5.156 2.750 3.332 1.00 0.00 H new HETATM 0 HG12 FVA A 1 5.229 1.005 3.673 1.00 0.00 H new HETATM 0 HG11 FVA A 1 6.707 1.885 3.215 1.00 0.00 H new HETATM 0 HN FVA A 1 1.957 0.281 3.940 1.00 0.00 H new HETATM 0 HB FVA A 1 5.667 2.358 0.970 1.00 0.00 H new HETATM 0 HA FVA A 1 3.403 2.376 1.339 1.00 0.00 H new HETATM 0 H FVA A 1 3.129 -0.479 2.058 1.00 0.00 H new ATOM 20 N GLY A 2 3.682 1.829 -1.176 1.00 0.00 N ATOM 21 CA GLY A 2 3.695 1.539 -2.616 1.00 0.00 C ATOM 22 C GLY A 2 2.549 2.211 -3.388 1.00 0.00 C ATOM 23 O GLY A 2 2.750 3.258 -4.005 1.00 0.00 O ATOM 0 H GLY A 2 3.734 2.828 -0.975 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.646 1.867 -3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 2 3.637 0.460 -2.762 1.00 0.00 H new ATOM 27 N ALA A 3 1.352 1.609 -3.378 1.00 0.00 N ATOM 28 CA ALA A 3 0.155 2.137 -4.043 1.00 0.00 C ATOM 29 C ALA A 3 -1.143 1.741 -3.314 1.00 0.00 C ATOM 30 O ALA A 3 -1.221 0.704 -2.656 1.00 0.00 O ATOM 31 CB ALA A 3 0.132 1.704 -5.515 1.00 0.00 C ATOM 0 H ALA A 3 1.186 0.724 -2.898 1.00 0.00 H new ATOM 0 HA ALA A 3 0.206 3.225 -4.003 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -0.761 2.102 -5.997 1.00 0.00 H new ATOM 0 HB2 ALA A 3 1.019 2.086 -6.021 1.00 0.00 H new ATOM 0 HB3 ALA A 3 0.122 0.616 -5.574 1.00 0.00 H new HETATM 37 N DLE A 4 -2.161 2.600 -3.424 1.00 0.00 N HETATM 38 CA DLE A 4 -3.362 2.602 -2.592 1.00 0.00 C HETATM 39 CB DLE A 4 -4.558 3.002 -3.474 1.00 0.00 C HETATM 40 CG DLE A 4 -5.922 3.171 -2.770 1.00 0.00 C HETATM 41 CD1 DLE A 4 -6.266 2.000 -1.838 1.00 0.00 C HETATM 42 CD2 DLE A 4 -6.058 4.499 -2.010 1.00 0.00 C HETATM 43 C DLE A 4 -3.140 3.561 -1.409 1.00 0.00 C HETATM 44 O DLE A 4 -2.829 4.732 -1.621 1.00 0.00 O HETATM 0 HD23 DLE A 4 -5.285 4.560 -1.244 1.00 0.00 H new HETATM 0 HD22 DLE A 4 -5.945 5.330 -2.706 1.00 0.00 H new HETATM 0 HD21 DLE A 4 -7.040 4.550 -1.540 1.00 0.00 H new HETATM 0 HD13 DLE A 4 -6.304 1.075 -2.414 1.00 0.00 H new HETATM 0 HD12 DLE A 4 -5.503 1.915 -1.064 1.00 0.00 H new HETATM 0 HD11 DLE A 4 -7.236 2.178 -1.373 1.00 0.00 H new HETATM 0 HG DLE A 4 -6.644 3.180 -3.587 1.00 0.00 H new HETATM 0 HB3 DLE A 4 -4.314 3.941 -3.970 1.00 0.00 H new HETATM 0 HB2 DLE A 4 -4.670 2.249 -4.254 1.00 0.00 H new HETATM 0 HA DLE A 4 -3.573 1.618 -2.175 1.00 0.00 H new HETATM 0 H DLE A 4 -2.225 2.841 -4.413 1.00 0.00 H new ATOM 56 N ALA A 5 -3.301 3.080 -0.169 1.00 0.00 N ATOM 57 CA ALA A 5 -3.164 3.866 1.062 1.00 0.00 C ATOM 58 C ALA A 5 -1.854 3.565 1.808 1.00 0.00 C ATOM 59 O ALA A 5 -1.500 2.400 1.986 1.00 0.00 O ATOM 60 CB ALA A 5 -4.368 3.609 1.974 1.00 0.00 C ATOM 0 H ALA A 5 -3.537 2.104 0.009 1.00 0.00 H new ATOM 0 HA ALA A 5 -3.132 4.918 0.780 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.264 4.194 2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.283 3.900 1.459 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.415 2.549 2.225 1.00 0.00 H new HETATM 66 N DVA A 6 -1.174 4.614 2.294 1.00 0.00 N HETATM 67 CA DVA A 6 0.045 4.531 3.108 1.00 0.00 C HETATM 68 CB DVA A 6 -0.307 4.758 4.597 1.00 0.00 C HETATM 69 CG1 DVA A 6 -1.366 3.756 5.094 1.00 0.00 C HETATM 70 CG2 DVA A 6 0.930 4.641 5.503 1.00 0.00 C HETATM 71 C DVA A 6 1.094 5.543 2.600 1.00 0.00 C HETATM 72 O DVA A 6 0.756 6.693 2.316 1.00 0.00 O HETATM 0 HG23 DVA A 6 1.362 3.645 5.403 1.00 0.00 H new HETATM 0 HG22 DVA A 6 1.668 5.388 5.209 1.00 0.00 H new HETATM 0 HG21 DVA A 6 0.638 4.807 6.540 1.00 0.00 H new HETATM 0 HG13 DVA A 6 -2.277 3.868 4.506 1.00 0.00 H new HETATM 0 HG12 DVA A 6 -0.986 2.740 4.984 1.00 0.00 H new HETATM 0 HG11 DVA A 6 -1.585 3.949 6.144 1.00 0.00 H new HETATM 0 HB DVA A 6 -0.706 5.771 4.656 1.00 0.00 H new HETATM 0 HA DVA A 6 0.483 3.537 3.016 1.00 0.00 H new ATOM 82 N VAL A 7 2.361 5.119 2.476 1.00 0.00 N ATOM 83 CA VAL A 7 3.443 5.901 1.858 1.00 0.00 C ATOM 84 C VAL A 7 3.641 5.424 0.407 1.00 0.00 C ATOM 85 O VAL A 7 4.146 4.327 0.187 1.00 0.00 O ATOM 86 CB VAL A 7 4.752 5.773 2.670 1.00 0.00 C ATOM 87 CG1 VAL A 7 5.836 6.709 2.106 1.00 0.00 C ATOM 88 CG2 VAL A 7 4.546 6.095 4.160 1.00 0.00 C ATOM 0 H VAL A 7 2.668 4.205 2.809 1.00 0.00 H new ATOM 0 HA VAL A 7 3.169 6.956 1.854 1.00 0.00 H new ATOM 0 HB VAL A 7 5.071 4.735 2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 7 6.749 6.603 2.692 1.00 0.00 H new ATOM 0 HG12 VAL A 7 6.039 6.447 1.068 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.489 7.741 2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.493 5.991 4.689 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.182 7.117 4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.816 5.405 4.584 1.00 0.00 H new HETATM 98 N DVA A 8 3.232 6.217 -0.589 1.00 0.00 N HETATM 99 CA DVA A 8 3.154 5.808 -1.997 1.00 0.00 C HETATM 100 CB DVA A 8 4.499 6.011 -2.741 1.00 0.00 C HETATM 101 CG1 DVA A 8 4.994 7.464 -2.676 1.00 0.00 C HETATM 102 CG2 DVA A 8 5.615 5.069 -2.261 1.00 0.00 C HETATM 103 C DVA A 8 2.015 6.543 -2.730 1.00 0.00 C HETATM 104 O DVA A 8 1.707 7.692 -2.419 1.00 0.00 O HETATM 0 HG23 DVA A 8 5.801 5.236 -1.200 1.00 0.00 H new HETATM 0 HG22 DVA A 8 5.310 4.034 -2.417 1.00 0.00 H new HETATM 0 HG21 DVA A 8 6.526 5.267 -2.825 1.00 0.00 H new HETATM 0 HG13 DVA A 8 4.255 8.121 -3.134 1.00 0.00 H new HETATM 0 HG12 DVA A 8 5.140 7.752 -1.635 1.00 0.00 H new HETATM 0 HG11 DVA A 8 5.939 7.551 -3.212 1.00 0.00 H new HETATM 0 HB DVA A 8 4.275 5.760 -3.778 1.00 0.00 H new HETATM 0 HA DVA A 8 2.935 4.740 -2.001 1.00 0.00 H new ATOM 114 N TRP A 9 1.426 5.899 -3.746 1.00 0.00 N ATOM 115 CA TRP A 9 0.479 6.522 -4.675 1.00 0.00 C ATOM 116 C TRP A 9 -1.000 6.274 -4.302 1.00 0.00 C ATOM 117 O TRP A 9 -1.512 5.175 -4.511 1.00 0.00 O ATOM 118 CB TRP A 9 0.790 6.042 -6.102 1.00 0.00 C ATOM 119 CG TRP A 9 -0.075 6.665 -7.157 1.00 0.00 C ATOM 120 CD1 TRP A 9 0.056 7.923 -7.634 1.00 0.00 C ATOM 121 CD2 TRP A 9 -1.265 6.117 -7.801 1.00 0.00 C ATOM 122 NE1 TRP A 9 -0.969 8.206 -8.512 1.00 0.00 N ATOM 123 CE2 TRP A 9 -1.817 7.125 -8.654 1.00 0.00 C ATOM 124 CE3 TRP A 9 -1.947 4.876 -7.738 1.00 0.00 C ATOM 125 CZ2 TRP A 9 -2.989 6.914 -9.404 1.00 0.00 C ATOM 126 CZ3 TRP A 9 -3.115 4.648 -8.498 1.00 0.00 C ATOM 127 CH2 TRP A 9 -3.639 5.665 -9.325 1.00 0.00 C ATOM 0 H TRP A 9 1.598 4.914 -3.947 1.00 0.00 H new ATOM 0 HA TRP A 9 0.610 7.602 -4.611 1.00 0.00 H new ATOM 0 HB2 TRP A 9 1.834 6.259 -6.328 1.00 0.00 H new ATOM 0 HB3 TRP A 9 0.673 4.959 -6.144 1.00 0.00 H new ATOM 0 HD1 TRP A 9 0.848 8.607 -7.366 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -1.086 9.097 -8.994 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -1.567 4.093 -7.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.385 7.698 -10.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -3.610 3.690 -8.446 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -4.537 5.487 -9.897 1.00 0.00 H new HETATM 138 N DLE A 10 -1.703 7.319 -3.837 1.00 0.00 N HETATM 139 CA DLE A 10 -3.167 7.369 -3.735 1.00 0.00 C HETATM 140 CB DLE A 10 -3.717 7.998 -5.038 1.00 0.00 C HETATM 141 CG DLE A 10 -5.182 7.680 -5.402 1.00 0.00 C HETATM 142 CD1 DLE A 10 -5.382 6.189 -5.708 1.00 0.00 C HETATM 143 CD2 DLE A 10 -6.189 8.153 -4.344 1.00 0.00 C HETATM 144 C DLE A 10 -3.593 8.136 -2.464 1.00 0.00 C HETATM 145 O DLE A 10 -3.792 9.350 -2.496 1.00 0.00 O HETATM 0 HD23 DLE A 10 -5.975 7.664 -3.393 1.00 0.00 H new HETATM 0 HD22 DLE A 10 -6.109 9.233 -4.223 1.00 0.00 H new HETATM 0 HD21 DLE A 10 -7.199 7.898 -4.663 1.00 0.00 H new HETATM 0 HD13 DLE A 10 -4.751 5.902 -6.549 1.00 0.00 H new HETATM 0 HD12 DLE A 10 -5.111 5.598 -4.833 1.00 0.00 H new HETATM 0 HD11 DLE A 10 -6.427 6.006 -5.960 1.00 0.00 H new HETATM 0 HG DLE A 10 -5.386 8.251 -6.308 1.00 0.00 H new HETATM 0 HB3 DLE A 10 -3.614 9.080 -4.962 1.00 0.00 H new HETATM 0 HB2 DLE A 10 -3.084 7.674 -5.864 1.00 0.00 H new HETATM 0 HA DLE A 10 -3.588 6.369 -3.633 1.00 0.00 H new ATOM 157 N TRP A 11 -3.734 7.421 -1.340 1.00 0.00 N ATOM 158 CA TRP A 11 -4.061 7.957 -0.014 1.00 0.00 C ATOM 159 C TRP A 11 -2.855 7.942 0.945 1.00 0.00 C ATOM 160 O TRP A 11 -1.989 7.071 0.883 1.00 0.00 O ATOM 161 CB TRP A 11 -5.243 7.166 0.586 1.00 0.00 C ATOM 162 CG TRP A 11 -6.607 7.392 -0.010 1.00 0.00 C ATOM 163 CD1 TRP A 11 -6.994 8.462 -0.744 1.00 0.00 C ATOM 164 CD2 TRP A 11 -7.788 6.535 0.083 1.00 0.00 C ATOM 165 NE1 TRP A 11 -8.311 8.327 -1.130 1.00 0.00 N ATOM 166 CE2 TRP A 11 -8.852 7.154 -0.648 1.00 0.00 C ATOM 167 CE3 TRP A 11 -8.070 5.289 0.698 1.00 0.00 C ATOM 168 CZ2 TRP A 11 -10.127 6.569 -0.763 1.00 0.00 C ATOM 169 CZ3 TRP A 11 -9.345 4.691 0.588 1.00 0.00 C ATOM 170 CH2 TRP A 11 -10.372 5.328 -0.140 1.00 0.00 C ATOM 0 H TRP A 11 -3.618 6.408 -1.331 1.00 0.00 H new ATOM 0 HA TRP A 11 -4.343 9.002 -0.140 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -5.012 6.104 0.504 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.298 7.399 1.649 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -6.361 9.302 -0.992 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -8.818 9.006 -1.698 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -7.296 4.788 1.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -10.908 7.064 -1.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -9.535 3.740 1.064 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -11.345 4.866 -0.220 1.00 0.00 H new HETATM 181 N DLE A 12 -2.846 8.899 1.881 1.00 0.00 N HETATM 182 CA DLE A 12 -1.933 8.958 3.022 1.00 0.00 C HETATM 183 CB DLE A 12 -2.750 9.264 4.295 1.00 0.00 C HETATM 184 CG DLE A 12 -3.960 8.330 4.520 1.00 0.00 C HETATM 185 CD1 DLE A 12 -3.588 6.840 4.464 1.00 0.00 C HETATM 186 CD2 DLE A 12 -4.600 8.647 5.880 1.00 0.00 C HETATM 187 C DLE A 12 -0.817 9.991 2.775 1.00 0.00 C HETATM 188 O DLE A 12 -0.958 11.159 3.137 1.00 0.00 O HETATM 0 HD23 DLE A 12 -3.867 8.492 6.672 1.00 0.00 H new HETATM 0 HD22 DLE A 12 -4.933 9.685 5.892 1.00 0.00 H new HETATM 0 HD21 DLE A 12 -5.454 7.990 6.042 1.00 0.00 H new HETATM 0 HD13 DLE A 12 -3.168 6.606 3.486 1.00 0.00 H new HETATM 0 HD12 DLE A 12 -2.852 6.619 5.237 1.00 0.00 H new HETATM 0 HD11 DLE A 12 -4.480 6.236 4.629 1.00 0.00 H new HETATM 0 HG DLE A 12 -4.663 8.513 3.708 1.00 0.00 H new HETATM 0 HB3 DLE A 12 -2.090 9.197 5.160 1.00 0.00 H new HETATM 0 HB2 DLE A 12 -3.106 10.293 4.244 1.00 0.00 H new HETATM 0 HA DLE A 12 -1.435 7.998 3.156 1.00 0.00 H new HETATM 0 H DLE A 12 -3.845 9.051 2.019 1.00 0.00 H new ATOM 200 N TRP A 13 0.294 9.557 2.163 1.00 0.00 N ATOM 201 CA TRP A 13 1.493 10.371 1.932 1.00 0.00 C ATOM 202 C TRP A 13 2.193 9.996 0.611 1.00 0.00 C ATOM 203 O TRP A 13 2.320 8.818 0.285 1.00 0.00 O ATOM 204 CB TRP A 13 2.455 10.208 3.125 1.00 0.00 C ATOM 205 CG TRP A 13 1.916 10.639 4.460 1.00 0.00 C ATOM 206 CD1 TRP A 13 1.976 11.893 4.964 1.00 0.00 C ATOM 207 CD2 TRP A 13 1.165 9.855 5.438 1.00 0.00 C ATOM 208 NE1 TRP A 13 1.331 11.947 6.183 1.00 0.00 N ATOM 209 CE2 TRP A 13 0.799 10.719 6.519 1.00 0.00 C ATOM 210 CE3 TRP A 13 0.734 8.507 5.516 1.00 0.00 C ATOM 211 CZ2 TRP A 13 0.047 10.270 7.621 1.00 0.00 C ATOM 212 CZ3 TRP A 13 -0.033 8.048 6.610 1.00 0.00 C ATOM 213 CH2 TRP A 13 -0.372 8.925 7.663 1.00 0.00 C ATOM 0 H TRP A 13 0.385 8.606 1.806 1.00 0.00 H new ATOM 0 HA TRP A 13 1.191 11.415 1.846 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.746 9.160 3.193 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.361 10.778 2.918 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.459 12.730 4.482 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.257 12.785 6.760 1.00 0.00 H new ATOM 0 HE3 TRP A 13 0.996 7.819 4.726 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -0.206 10.947 8.424 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -0.362 7.020 6.641 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -0.952 8.566 8.500 1.00 0.00 H new HETATM 224 N DLE A 14 2.694 11.000 -0.126 1.00 0.00 N HETATM 225 CA DLE A 14 3.482 10.843 -1.354 1.00 0.00 C HETATM 226 CB DLE A 14 4.798 11.647 -1.246 1.00 0.00 C HETATM 227 CG DLE A 14 5.937 10.940 -0.481 1.00 0.00 C HETATM 228 CD1 DLE A 14 7.215 11.788 -0.575 1.00 0.00 C HETATM 229 CD2 DLE A 14 5.610 10.684 0.997 1.00 0.00 C HETATM 230 C DLE A 14 2.682 11.277 -2.601 1.00 0.00 C HETATM 231 O DLE A 14 2.511 12.472 -2.842 1.00 0.00 O HETATM 0 HD23 DLE A 14 5.420 11.634 1.497 1.00 0.00 H new HETATM 0 HD22 DLE A 14 4.725 10.052 1.070 1.00 0.00 H new HETATM 0 HD21 DLE A 14 6.453 10.185 1.475 1.00 0.00 H new HETATM 0 HD13 DLE A 14 7.497 11.906 -1.621 1.00 0.00 H new HETATM 0 HD12 DLE A 14 7.034 12.769 -0.135 1.00 0.00 H new HETATM 0 HD11 DLE A 14 8.022 11.291 -0.036 1.00 0.00 H new HETATM 0 HG DLE A 14 6.075 9.966 -0.950 1.00 0.00 H new HETATM 0 HB3 DLE A 14 5.147 11.880 -2.252 1.00 0.00 H new HETATM 0 HB2 DLE A 14 4.586 12.597 -0.755 1.00 0.00 H new HETATM 0 HA DLE A 14 3.719 9.785 -1.469 1.00 0.00 H new ATOM 243 N GLY A 15 2.253 10.313 -3.426 1.00 0.00 N ATOM 244 CA GLY A 15 1.723 10.530 -4.775 1.00 0.00 C ATOM 245 C GLY A 15 0.191 10.455 -4.890 1.00 0.00 C ATOM 246 O GLY A 15 -0.497 9.952 -4.004 1.00 0.00 O ATOM 0 H GLY A 15 2.267 9.328 -3.162 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.051 11.509 -5.125 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.160 9.789 -5.444 1.00 0.00 H new HETATM 250 CA ETA A 16 -1.755 10.872 -6.366 1.00 0.00 C HETATM 251 N ETA A 16 -0.338 10.930 -6.026 1.00 0.00 N HETATM 252 CB ETA A 16 -2.035 11.642 -7.664 1.00 0.00 C HETATM 253 O ETA A 16 -1.319 11.081 -8.750 1.00 0.00 O HETATM 0 HO ETA A 16 -1.514 11.587 -9.567 1.00 0.00 H new HETATM 0 HN1 ETA A 16 0.311 11.438 -6.628 1.00 0.00 H new HETATM 0 HB2 ETA A 16 -3.103 11.623 -7.879 1.00 0.00 H new HETATM 0 HB1 ETA A 16 -1.753 12.688 -7.539 1.00 0.00 H new HETATM 0 HA2 ETA A 16 -2.064 9.833 -6.480 1.00 0.00 H new HETATM 0 HA1 ETA A 16 -2.346 11.293 -5.553 1.00 0.00 H new TER 260 ETA A 16 HETATM 261 C FVA B 1 -3.609 -0.906 0.235 1.00 0.00 C HETATM 262 N FVA B 1 -2.957 -0.097 2.508 1.00 0.00 N HETATM 263 O FVA B 1 -3.449 0.221 -0.226 1.00 0.00 O HETATM 264 CA FVA B 1 -3.724 -1.105 1.760 1.00 0.00 C HETATM 265 CB FVA B 1 -5.209 -1.161 2.212 1.00 0.00 C HETATM 266 CG1 FVA B 1 -5.377 -1.189 3.742 1.00 0.00 C HETATM 267 CG2 FVA B 1 -6.077 -0.025 1.642 1.00 0.00 C HETATM 273 O1 FVA B 1 -2.221 -1.470 4.131 1.00 0.00 O HETATM 274 CN FVA B 1 -2.241 -0.355 3.610 1.00 0.00 C HETATM 0 HG23 FVA B 1 -5.677 0.936 1.966 1.00 0.00 H new HETATM 0 HG22 FVA B 1 -6.069 -0.073 0.553 1.00 0.00 H new HETATM 0 HG21 FVA B 1 -7.100 -0.133 2.003 1.00 0.00 H new HETATM 0 HG13 FVA B 1 -4.877 -2.069 4.147 1.00 0.00 H new HETATM 0 HG12 FVA B 1 -4.936 -0.290 4.173 1.00 0.00 H new HETATM 0 HG11 FVA B 1 -6.437 -1.228 3.991 1.00 0.00 H new HETATM 0 HN FVA B 1 -1.657 0.448 4.060 1.00 0.00 H new HETATM 0 HB FVA B 1 -5.562 -2.105 1.797 1.00 0.00 H new HETATM 0 HA FVA B 1 -3.277 -2.071 1.995 1.00 0.00 H new HETATM 0 H FVA B 1 -2.971 0.863 2.164 1.00 0.00 H new ATOM 280 N GLY B 2 -3.747 -1.987 -0.549 1.00 0.00 N ATOM 281 CA GLY B 2 -3.869 -1.962 -2.013 1.00 0.00 C ATOM 282 C GLY B 2 -2.778 -2.769 -2.734 1.00 0.00 C ATOM 283 O GLY B 2 -3.017 -3.910 -3.136 1.00 0.00 O ATOM 0 H GLY B 2 -3.778 -2.933 -0.168 1.00 0.00 H new ATOM 0 HA2 GLY B 2 -4.846 -2.355 -2.295 1.00 0.00 H new ATOM 0 HA3 GLY B 2 -3.830 -0.928 -2.355 1.00 0.00 H new ATOM 287 N ALA B 3 -1.588 -2.184 -2.922 1.00 0.00 N ATOM 288 CA ALA B 3 -0.440 -2.831 -3.567 1.00 0.00 C ATOM 289 C ALA B 3 0.906 -2.319 -3.020 1.00 0.00 C ATOM 290 O ALA B 3 1.026 -1.181 -2.568 1.00 0.00 O ATOM 291 CB ALA B 3 -0.529 -2.672 -5.092 1.00 0.00 C ATOM 0 H ALA B 3 -1.393 -1.228 -2.624 1.00 0.00 H new ATOM 0 HA ALA B 3 -0.480 -3.893 -3.327 1.00 0.00 H new ATOM 0 HB1 ALA B 3 0.329 -3.156 -5.559 1.00 0.00 H new ATOM 0 HB2 ALA B 3 -1.448 -3.134 -5.453 1.00 0.00 H new ATOM 0 HB3 ALA B 3 -0.531 -1.612 -5.348 1.00 0.00 H new HETATM 297 N DLE B 4 1.919 -3.191 -3.049 1.00 0.00 N HETATM 298 CA DLE B 4 3.178 -3.050 -2.322 1.00 0.00 C HETATM 299 CB DLE B 4 4.307 -3.611 -3.203 1.00 0.00 C HETATM 300 CG DLE B 4 5.721 -3.659 -2.584 1.00 0.00 C HETATM 301 CD1 DLE B 4 6.126 -2.341 -1.906 1.00 0.00 C HETATM 302 CD2 DLE B 4 5.922 -4.829 -1.608 1.00 0.00 C HETATM 303 C DLE B 4 3.051 -3.778 -0.971 1.00 0.00 C HETATM 304 O DLE B 4 2.733 -4.966 -0.945 1.00 0.00 O HETATM 0 HD23 DLE B 4 5.209 -4.745 -0.788 1.00 0.00 H new HETATM 0 HD22 DLE B 4 5.763 -5.771 -2.132 1.00 0.00 H new HETATM 0 HD21 DLE B 4 6.937 -4.801 -1.211 1.00 0.00 H new HETATM 0 HD13 DLE B 4 6.114 -1.535 -2.640 1.00 0.00 H new HETATM 0 HD12 DLE B 4 5.423 -2.113 -1.105 1.00 0.00 H new HETATM 0 HD11 DLE B 4 7.129 -2.439 -1.491 1.00 0.00 H new HETATM 0 HG DLE B 4 6.380 -3.820 -3.437 1.00 0.00 H new HETATM 0 HB3 DLE B 4 4.033 -4.623 -3.501 1.00 0.00 H new HETATM 0 HB2 DLE B 4 4.356 -3.013 -4.113 1.00 0.00 H new HETATM 0 HA DLE B 4 3.413 -2.008 -2.106 1.00 0.00 H new HETATM 0 H DLE B 4 1.912 -3.607 -3.980 1.00 0.00 H new ATOM 316 N ALA B 5 3.300 -3.082 0.146 1.00 0.00 N ATOM 317 CA ALA B 5 3.260 -3.632 1.505 1.00 0.00 C ATOM 318 C ALA B 5 2.007 -3.193 2.280 1.00 0.00 C ATOM 319 O ALA B 5 1.659 -2.012 2.270 1.00 0.00 O ATOM 320 CB ALA B 5 4.527 -3.222 2.263 1.00 0.00 C ATOM 0 H ALA B 5 3.542 -2.091 0.127 1.00 0.00 H new ATOM 0 HA ALA B 5 3.214 -4.718 1.421 1.00 0.00 H new ATOM 0 HB1 ALA B 5 4.496 -3.632 3.273 1.00 0.00 H new ATOM 0 HB2 ALA B 5 5.403 -3.608 1.742 1.00 0.00 H new ATOM 0 HB3 ALA B 5 4.585 -2.135 2.314 1.00 0.00 H new HETATM 326 N DVA B 6 1.372 -4.132 2.996 1.00 0.00 N HETATM 327 CA DVA B 6 0.216 -3.895 3.871 1.00 0.00 C HETATM 328 CB DVA B 6 0.679 -3.851 5.345 1.00 0.00 C HETATM 329 CG1 DVA B 6 1.765 -2.783 5.573 1.00 0.00 C HETATM 330 CG2 DVA B 6 -0.488 -3.564 6.305 1.00 0.00 C HETATM 331 C DVA B 6 -0.860 -4.975 3.633 1.00 0.00 C HETATM 332 O DVA B 6 -0.537 -6.159 3.536 1.00 0.00 O HETATM 0 HG23 DVA B 6 -0.933 -2.600 6.059 1.00 0.00 H new HETATM 0 HG22 DVA B 6 -1.240 -4.347 6.207 1.00 0.00 H new HETATM 0 HG21 DVA B 6 -0.119 -3.542 7.330 1.00 0.00 H new HETATM 0 HG13 DVA B 6 2.631 -3.006 4.950 1.00 0.00 H new HETATM 0 HG12 DVA B 6 1.371 -1.801 5.309 1.00 0.00 H new HETATM 0 HG11 DVA B 6 2.063 -2.785 6.622 1.00 0.00 H new HETATM 0 HB DVA B 6 1.089 -4.839 5.556 1.00 0.00 H new HETATM 0 HA DVA B 6 -0.234 -2.931 3.635 1.00 0.00 H new ATOM 342 N VAL B 7 -2.136 -4.571 3.529 1.00 0.00 N ATOM 343 CA VAL B 7 -3.256 -5.445 3.144 1.00 0.00 C ATOM 344 C VAL B 7 -3.564 -5.237 1.649 1.00 0.00 C ATOM 345 O VAL B 7 -4.091 -4.194 1.273 1.00 0.00 O ATOM 346 CB VAL B 7 -4.502 -5.164 4.014 1.00 0.00 C ATOM 347 CG1 VAL B 7 -5.618 -6.179 3.711 1.00 0.00 C ATOM 348 CG2 VAL B 7 -4.184 -5.213 5.518 1.00 0.00 C ATOM 0 H VAL B 7 -2.424 -3.610 3.714 1.00 0.00 H new ATOM 0 HA VAL B 7 -2.976 -6.485 3.311 1.00 0.00 H new ATOM 0 HB VAL B 7 -4.834 -4.157 3.763 1.00 0.00 H new ATOM 0 HG11 VAL B 7 -6.486 -5.963 4.334 1.00 0.00 H new ATOM 0 HG12 VAL B 7 -5.899 -6.108 2.660 1.00 0.00 H new ATOM 0 HG13 VAL B 7 -5.261 -7.187 3.923 1.00 0.00 H new ATOM 0 HG21 VAL B 7 -5.090 -5.009 6.088 1.00 0.00 H new ATOM 0 HG22 VAL B 7 -3.806 -6.202 5.778 1.00 0.00 H new ATOM 0 HG23 VAL B 7 -3.430 -4.463 5.755 1.00 0.00 H new HETATM 358 N DVA B 8 -3.225 -6.200 0.785 1.00 0.00 N HETATM 359 CA DVA B 8 -3.255 -6.052 -0.675 1.00 0.00 C HETATM 360 CB DVA B 8 -4.650 -6.376 -1.268 1.00 0.00 C HETATM 361 CG1 DVA B 8 -5.128 -7.791 -0.905 1.00 0.00 C HETATM 362 CG2 DVA B 8 -5.733 -5.356 -0.885 1.00 0.00 C HETATM 363 C DVA B 8 -2.168 -6.914 -1.346 1.00 0.00 C HETATM 364 O DVA B 8 -1.829 -7.991 -0.856 1.00 0.00 O HETATM 0 HG23 DVA B 8 -5.839 -5.328 0.199 1.00 0.00 H new HETATM 0 HG22 DVA B 8 -5.447 -4.368 -1.247 1.00 0.00 H new HETATM 0 HG21 DVA B 8 -6.682 -5.647 -1.335 1.00 0.00 H new HETATM 0 HG13 DVA B 8 -4.420 -8.524 -1.291 1.00 0.00 H new HETATM 0 HG12 DVA B 8 -5.194 -7.886 0.179 1.00 0.00 H new HETATM 0 HG11 DVA B 8 -6.110 -7.967 -1.345 1.00 0.00 H new HETATM 0 HB DVA B 8 -4.506 -6.317 -2.347 1.00 0.00 H new HETATM 0 HA DVA B 8 -3.045 -5.004 -0.888 1.00 0.00 H new ATOM 374 N TRP B 9 -1.660 -6.469 -2.502 1.00 0.00 N ATOM 375 CA TRP B 9 -0.781 -7.256 -3.371 1.00 0.00 C ATOM 376 C TRP B 9 0.720 -6.955 -3.160 1.00 0.00 C ATOM 377 O TRP B 9 1.208 -5.915 -3.601 1.00 0.00 O ATOM 378 CB TRP B 9 -1.200 -7.039 -4.834 1.00 0.00 C ATOM 379 CG TRP B 9 -0.411 -7.849 -5.821 1.00 0.00 C ATOM 380 CD1 TRP B 9 -0.569 -9.171 -6.051 1.00 0.00 C ATOM 381 CD2 TRP B 9 0.724 -7.434 -6.639 1.00 0.00 C ATOM 382 NE1 TRP B 9 0.390 -9.615 -6.938 1.00 0.00 N ATOM 383 CE2 TRP B 9 1.218 -8.584 -7.335 1.00 0.00 C ATOM 384 CE3 TRP B 9 1.401 -6.207 -6.853 1.00 0.00 C ATOM 385 CZ2 TRP B 9 2.330 -8.519 -8.196 1.00 0.00 C ATOM 386 CZ3 TRP B 9 2.507 -6.127 -7.726 1.00 0.00 C ATOM 387 CH2 TRP B 9 2.975 -7.281 -8.392 1.00 0.00 C ATOM 0 H TRP B 9 -1.853 -5.535 -2.865 1.00 0.00 H new ATOM 0 HA TRP B 9 -0.900 -8.306 -3.104 1.00 0.00 H new ATOM 0 HB2 TRP B 9 -2.257 -7.286 -4.939 1.00 0.00 H new ATOM 0 HB3 TRP B 9 -1.093 -5.982 -5.079 1.00 0.00 H new ATOM 0 HD1 TRP B 9 -1.334 -9.790 -5.606 1.00 0.00 H new ATOM 0 HE1 TRP B 9 0.476 -10.579 -7.259 1.00 0.00 H new ATOM 0 HE3 TRP B 9 1.065 -5.318 -6.339 1.00 0.00 H new ATOM 0 HZ2 TRP B 9 2.684 -9.406 -8.700 1.00 0.00 H new ATOM 0 HZ3 TRP B 9 2.998 -5.178 -7.886 1.00 0.00 H new ATOM 0 HH2 TRP B 9 3.827 -7.215 -9.052 1.00 0.00 H new HETATM 398 N DLE B 10 1.463 -7.903 -2.567 1.00 0.00 N HETATM 399 CA DLE B 10 2.931 -7.944 -2.567 1.00 0.00 C HETATM 400 CB DLE B 10 3.387 -8.801 -3.771 1.00 0.00 C HETATM 401 CG DLE B 10 4.818 -8.564 -4.295 1.00 0.00 C HETATM 402 CD1 DLE B 10 4.985 -7.154 -4.879 1.00 0.00 C HETATM 403 CD2 DLE B 10 5.904 -8.846 -3.246 1.00 0.00 C HETATM 404 C DLE B 10 3.455 -8.471 -1.213 1.00 0.00 C HETATM 405 O DLE B 10 3.660 -9.673 -1.040 1.00 0.00 O HETATM 0 HD23 DLE B 10 5.757 -8.193 -2.386 1.00 0.00 H new HETATM 0 HD22 DLE B 10 5.840 -9.886 -2.927 1.00 0.00 H new HETATM 0 HD21 DLE B 10 6.886 -8.660 -3.680 1.00 0.00 H new HETATM 0 HD13 DLE B 10 4.290 -7.019 -5.708 1.00 0.00 H new HETATM 0 HD12 DLE B 10 4.777 -6.413 -4.107 1.00 0.00 H new HETATM 0 HD11 DLE B 10 6.007 -7.027 -5.237 1.00 0.00 H new HETATM 0 HG DLE B 10 4.958 -9.289 -5.097 1.00 0.00 H new HETATM 0 HB3 DLE B 10 3.297 -9.851 -3.493 1.00 0.00 H new HETATM 0 HB2 DLE B 10 2.692 -8.628 -4.593 1.00 0.00 H new HETATM 0 HA DLE B 10 3.352 -6.945 -2.680 1.00 0.00 H new ATOM 417 N TRP B 11 3.675 -7.566 -0.250 1.00 0.00 N ATOM 418 CA TRP B 11 4.103 -7.856 1.123 1.00 0.00 C ATOM 419 C TRP B 11 2.971 -7.660 2.150 1.00 0.00 C ATOM 420 O TRP B 11 2.097 -6.809 1.996 1.00 0.00 O ATOM 421 CB TRP B 11 5.321 -6.977 1.480 1.00 0.00 C ATOM 422 CG TRP B 11 6.638 -7.316 0.835 1.00 0.00 C ATOM 423 CD1 TRP B 11 6.976 -8.505 0.281 1.00 0.00 C ATOM 424 CD2 TRP B 11 7.817 -6.465 0.684 1.00 0.00 C ATOM 425 NE1 TRP B 11 8.260 -8.450 -0.220 1.00 0.00 N ATOM 426 CE2 TRP B 11 8.828 -7.213 0.000 1.00 0.00 C ATOM 427 CE3 TRP B 11 8.135 -5.130 1.042 1.00 0.00 C ATOM 428 CZ2 TRP B 11 10.087 -6.667 -0.313 1.00 0.00 C ATOM 429 CZ3 TRP B 11 9.395 -4.570 0.731 1.00 0.00 C ATOM 430 CH2 TRP B 11 10.369 -5.336 0.055 1.00 0.00 C ATOM 0 H TRP B 11 3.554 -6.567 -0.415 1.00 0.00 H new ATOM 0 HA TRP B 11 4.382 -8.909 1.168 1.00 0.00 H new ATOM 0 HB2 TRP B 11 5.077 -5.946 1.225 1.00 0.00 H new ATOM 0 HB3 TRP B 11 5.457 -7.014 2.561 1.00 0.00 H new ATOM 0 HD1 TRP B 11 6.333 -9.371 0.238 1.00 0.00 H new ATOM 0 HE1 TRP B 11 8.728 -9.224 -0.692 1.00 0.00 H new ATOM 0 HE3 TRP B 11 7.402 -4.531 1.561 1.00 0.00 H new ATOM 0 HZ2 TRP B 11 10.828 -7.260 -0.829 1.00 0.00 H new ATOM 0 HZ3 TRP B 11 9.614 -3.550 1.012 1.00 0.00 H new ATOM 0 HH2 TRP B 11 11.330 -4.902 -0.180 1.00 0.00 H new HETATM 441 N DLE B 12 3.037 -8.431 3.242 1.00 0.00 N HETATM 442 CA DLE B 12 2.213 -8.278 4.439 1.00 0.00 C HETATM 443 CB DLE B 12 3.124 -8.354 5.682 1.00 0.00 C HETATM 444 CG DLE B 12 4.341 -7.403 5.644 1.00 0.00 C HETATM 445 CD1 DLE B 12 3.956 -5.945 5.348 1.00 0.00 C HETATM 446 CD2 DLE B 12 5.082 -7.473 6.988 1.00 0.00 C HETATM 447 C DLE B 12 1.088 -9.330 4.466 1.00 0.00 C HETATM 448 O DLE B 12 1.263 -10.415 5.022 1.00 0.00 O HETATM 0 HD23 DLE B 12 4.409 -7.172 7.791 1.00 0.00 H new HETATM 0 HD22 DLE B 12 5.422 -8.494 7.163 1.00 0.00 H new HETATM 0 HD21 DLE B 12 5.942 -6.803 6.965 1.00 0.00 H new HETATM 0 HD13 DLE B 12 3.462 -5.889 4.378 1.00 0.00 H new HETATM 0 HD12 DLE B 12 3.278 -5.583 6.121 1.00 0.00 H new HETATM 0 HD11 DLE B 12 4.854 -5.327 5.335 1.00 0.00 H new HETATM 0 HG DLE B 12 4.983 -7.735 4.828 1.00 0.00 H new HETATM 0 HB3 DLE B 12 2.529 -8.127 6.567 1.00 0.00 H new HETATM 0 HB2 DLE B 12 3.482 -9.378 5.792 1.00 0.00 H new HETATM 0 HA DLE B 12 1.720 -7.306 4.434 1.00 0.00 H new HETATM 0 H DLE B 12 4.045 -8.562 3.330 1.00 0.00 H new ATOM 460 N TRP B 13 -0.068 -9.007 3.870 1.00 0.00 N ATOM 461 CA TRP B 13 -1.276 -9.841 3.880 1.00 0.00 C ATOM 462 C TRP B 13 -2.074 -9.706 2.567 1.00 0.00 C ATOM 463 O TRP B 13 -2.233 -8.605 2.045 1.00 0.00 O ATOM 464 CB TRP B 13 -2.148 -9.459 5.092 1.00 0.00 C ATOM 465 CG TRP B 13 -1.508 -9.645 6.439 1.00 0.00 C ATOM 466 CD1 TRP B 13 -1.522 -10.786 7.164 1.00 0.00 C ATOM 467 CD2 TRP B 13 -0.692 -8.702 7.201 1.00 0.00 C ATOM 468 NE1 TRP B 13 -0.788 -10.624 8.321 1.00 0.00 N ATOM 469 CE2 TRP B 13 -0.240 -9.360 8.389 1.00 0.00 C ATOM 470 CE3 TRP B 13 -0.266 -7.365 7.001 1.00 0.00 C ATOM 471 CZ2 TRP B 13 0.588 -8.723 9.333 1.00 0.00 C ATOM 472 CZ3 TRP B 13 0.578 -6.722 7.935 1.00 0.00 C ATOM 473 CH2 TRP B 13 1.000 -7.396 9.100 1.00 0.00 C ATOM 0 H TRP B 13 -0.191 -8.136 3.354 1.00 0.00 H new ATOM 0 HA TRP B 13 -0.975 -10.885 3.963 1.00 0.00 H new ATOM 0 HB2 TRP B 13 -2.441 -8.414 4.991 1.00 0.00 H new ATOM 0 HB3 TRP B 13 -3.062 -10.051 5.060 1.00 0.00 H new ATOM 0 HD1 TRP B 13 -2.034 -11.693 6.879 1.00 0.00 H new ATOM 0 HE1 TRP B 13 -0.667 -11.344 9.033 1.00 0.00 H new ATOM 0 HE3 TRP B 13 -0.591 -6.829 6.121 1.00 0.00 H new ATOM 0 HZ2 TRP B 13 0.903 -9.245 10.224 1.00 0.00 H new ATOM 0 HZ3 TRP B 13 0.902 -5.708 7.755 1.00 0.00 H new ATOM 0 HH2 TRP B 13 1.638 -6.895 9.813 1.00 0.00 H new HETATM 484 N DLE B 14 -2.621 -10.823 2.064 1.00 0.00 N HETATM 485 CA DLE B 14 -3.500 -10.885 0.890 1.00 0.00 C HETATM 486 CB DLE B 14 -4.798 -11.648 1.238 1.00 0.00 C HETATM 487 CG DLE B 14 -5.882 -10.807 1.945 1.00 0.00 C HETATM 488 CD1 DLE B 14 -7.158 -11.649 2.101 1.00 0.00 C HETATM 489 CD2 DLE B 14 -5.448 -10.290 3.324 1.00 0.00 C HETATM 490 C DLE B 14 -2.791 -11.543 -0.314 1.00 0.00 C HETATM 491 O DLE B 14 -2.630 -12.763 -0.348 1.00 0.00 O HETATM 0 HD23 DLE B 14 -5.214 -11.135 3.972 1.00 0.00 H new HETATM 0 HD22 DLE B 14 -4.565 -9.661 3.215 1.00 0.00 H new HETATM 0 HD21 DLE B 14 -6.257 -9.707 3.765 1.00 0.00 H new HETATM 0 HD13 DLE B 14 -7.516 -11.952 1.117 1.00 0.00 H new HETATM 0 HD12 DLE B 14 -6.939 -12.535 2.696 1.00 0.00 H new HETATM 0 HD11 DLE B 14 -7.925 -11.057 2.600 1.00 0.00 H new HETATM 0 HG DLE B 14 -6.061 -9.933 1.319 1.00 0.00 H new HETATM 0 HB3 DLE B 14 -5.219 -12.056 0.319 1.00 0.00 H new HETATM 0 HB2 DLE B 14 -4.544 -12.495 1.876 1.00 0.00 H new HETATM 0 HA DLE B 14 -3.754 -9.864 0.605 1.00 0.00 H new ATOM 503 N GLY B 15 -2.431 -10.746 -1.330 1.00 0.00 N ATOM 504 CA GLY B 15 -2.001 -11.208 -2.653 1.00 0.00 C ATOM 505 C GLY B 15 -0.483 -11.165 -2.893 1.00 0.00 C ATOM 506 O GLY B 15 0.266 -10.514 -2.166 1.00 0.00 O ATOM 0 H GLY B 15 -2.432 -9.729 -1.249 1.00 0.00 H new ATOM 0 HA2 GLY B 15 -2.347 -12.232 -2.794 1.00 0.00 H new ATOM 0 HA3 GLY B 15 -2.491 -10.598 -3.412 1.00 0.00 H new HETATM 510 CA ETA B 16 1.351 -11.855 -4.409 1.00 0.00 C HETATM 511 N ETA B 16 -0.037 -11.841 -3.960 1.00 0.00 N HETATM 512 CB ETA B 16 1.540 -12.849 -5.564 1.00 0.00 C HETATM 513 O ETA B 16 0.741 -12.488 -6.678 1.00 0.00 O HETATM 0 HO ETA B 16 0.879 -13.134 -7.402 1.00 0.00 H new HETATM 0 HN1 ETA B 16 -0.725 -12.445 -4.411 1.00 0.00 H new HETATM 0 HB2 ETA B 16 2.589 -12.876 -5.858 1.00 0.00 H new HETATM 0 HB1 ETA B 16 1.276 -13.853 -5.232 1.00 0.00 H new HETATM 0 HA2 ETA B 16 1.644 -10.856 -4.731 1.00 0.00 H new HETATM 0 HA1 ETA B 16 2.004 -12.126 -3.579 1.00 0.00 H new TER 520 ETA B 16 CONECT 1 3 4 20 CONECT 2 4 8 14 CONECT 3 1 CONECT 4 1 2 5 9 CONECT 5 4 6 7 10 CONECT 6 5 11 12 CONECT 7 5 15 16 CONECT 8 2 CONECT 9 4 CONECT 10 5 CONECT 11 6 CONECT 12 6 CONECT 13 14 CONECT 14 2 13 17 CONECT 15 7 CONECT 16 7 CONECT 17 14 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 159 181 CONECT 181 159 182 189 CONECT 182 181 183 187 190 CONECT 183 182 184 191 192 CONECT 184 183 185 186 193 CONECT 185 184 194 195 196 CONECT 186 184 197 198 199 CONECT 187 182 188 200 CONECT 188 187 CONECT 189 181 CONECT 190 182 CONECT 191 183 CONECT 192 183 CONECT 193 184 CONECT 194 185 CONECT 195 185 CONECT 196 185 CONECT 197 186 CONECT 198 186 CONECT 199 186 CONECT 200 187 CONECT 202 224 CONECT 224 202 225 232 CONECT 225 224 226 230 233 CONECT 226 225 227 234 235 CONECT 227 226 228 229 236 CONECT 228 227 237 238 239 CONECT 229 227 240 241 242 CONECT 230 225 231 243 CONECT 231 230 CONECT 232 224 CONECT 233 225 CONECT 234 226 CONECT 235 226 CONECT 236 227 CONECT 237 228 CONECT 238 228 CONECT 239 228 CONECT 240 229 CONECT 241 229 CONECT 242 229 CONECT 243 230 CONECT 245 251 CONECT 250 251 252 254 255 CONECT 251 245 250 256 CONECT 252 250 253 257 258 CONECT 253 252 259 CONECT 254 250 CONECT 255 250 CONECT 256 251 CONECT 257 252 CONECT 258 252 CONECT 259 253 CONECT 261 263 264 280 CONECT 262 264 268 274 CONECT 263 261 CONECT 264 261 262 265 269 CONECT 265 264 266 267 270 CONECT 266 265 271 272 CONECT 267 265 275 276 CONECT 268 262 CONECT 269 264 CONECT 270 265 CONECT 271 266 CONECT 272 266 CONECT 273 274 CONECT 274 262 273 277 CONECT 275 267 CONECT 276 267 CONECT 277 274 CONECT 280 261 CONECT 289 297 CONECT 297 289 298 305 CONECT 298 297 299 303 306 CONECT 299 298 300 307 308 CONECT 300 299 301 302 309 CONECT 301 300 310 311 312 CONECT 302 300 313 314 315 CONECT 303 298 304 316 CONECT 304 303 CONECT 305 297 CONECT 306 298 CONECT 307 299 CONECT 308 299 CONECT 309 300 CONECT 310 301 CONECT 311 301 CONECT 312 301 CONECT 313 302 CONECT 314 302 CONECT 315 302 CONECT 316 303 CONECT 318 326 CONECT 326 318 327 333 CONECT 327 326 328 331 334 CONECT 328 327 329 330 335 CONECT 329 328 336 337 338 CONECT 330 328 339 340 341 CONECT 331 327 332 342 CONECT 332 331 CONECT 333 326 CONECT 334 327 CONECT 335 328 CONECT 336 329 CONECT 337 329 CONECT 338 329 CONECT 339 330 CONECT 340 330 CONECT 341 330 CONECT 342 331 CONECT 344 358 CONECT 358 344 359 365 CONECT 359 358 360 363 366 CONECT 360 359 361 362 367 CONECT 361 360 368 369 370 CONECT 362 360 371 372 373 CONECT 363 359 364 374 CONECT 364 363 CONECT 365 358 CONECT 366 359 CONECT 367 360 CONECT 368 361 CONECT 369 361 CONECT 370 361 CONECT 371 362 CONECT 372 362 CONECT 373 362 CONECT 374 363 CONECT 376 398 CONECT 398 376 399 406 CONECT 399 398 400 404 407 CONECT 400 399 401 408 409 CONECT 401 400 402 403 410 CONECT 402 401 411 412 413 CONECT 403 401 414 415 416 CONECT 404 399 405 417 CONECT 405 404 CONECT 406 398 CONECT 407 399 CONECT 408 400 CONECT 409 400 CONECT 410 401 CONECT 411 402 CONECT 412 402 CONECT 413 402 CONECT 414 403 CONECT 415 403 CONECT 416 403 CONECT 417 404 CONECT 419 441 CONECT 441 419 442 449 CONECT 442 441 443 447 450 CONECT 443 442 444 451 452 CONECT 444 443 445 446 453 CONECT 445 444 454 455 456 CONECT 446 444 457 458 459 CONECT 447 442 448 460 CONECT 448 447 CONECT 449 441 CONECT 450 442 CONECT 451 443 CONECT 452 443 CONECT 453 444 CONECT 454 445 CONECT 455 445 CONECT 456 445 CONECT 457 446 CONECT 458 446 CONECT 459 446 CONECT 460 447 CONECT 462 484 CONECT 484 462 485 492 CONECT 485 484 486 490 493 CONECT 486 485 487 494 495 CONECT 487 486 488 489 496 CONECT 488 487 497 498 499 CONECT 489 487 500 501 502 CONECT 490 485 491 503 CONECT 491 490 CONECT 492 484 CONECT 493 485 CONECT 494 486 CONECT 495 486 CONECT 496 487 CONECT 497 488 CONECT 498 488 CONECT 499 488 CONECT 500 489 CONECT 501 489 CONECT 502 489 CONECT 503 490 CONECT 505 511 CONECT 510 511 512 514 515 CONECT 511 505 510 516 CONECT 512 510 513 517 518 CONECT 513 512 519 CONECT 514 510 CONECT 515 510 CONECT 516 511 CONECT 517 512 CONECT 518 512 CONECT 519 513 END