USER MOD reduce.3.24.130724 H: found=0, std=0, add=2334, rem=0, adj=91 USER MOD reduce.3.24.130724 removed 2322 hydrogens (36 hets) HEADER HORMONE/GROWTH FACTOR 29-DEC-98 3AIY TITLE R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, REFINED AVERAGE TITLE 2 STRUCTURE COMPND MOL_ID: 1; COMPND 2 MOLECULE: PROTEIN (INSULIN); COMPND 3 CHAIN: A, C, E, G, I, K; COMPND 4 FRAGMENT: ALPHA CHAIN; COMPND 5 ENGINEERED: YES; COMPND 6 OTHER_DETAILS: A PHENOL MOLECULE IS NON-COVALENTLY COMPND 7 ATTACHED TO EACH INSULIN MONOMER; COMPND 8 MOL_ID: 2; COMPND 9 MOLECULE: PROTEIN (INSULIN); COMPND 0 CHAIN: B, D, F, H, J, L; COMPND 1 FRAGMENT: BETA CHAIN; COMPND 2 ENGINEERED: YES; COMPND 3 OTHER_DETAILS: A PHENOL MOLECULE IS NON-COVALENTLY COMPND 4 ATTACHED TO EACH INSULIN MONOMER SOURCE MOL_ID: 1; SOURCE 2 SYNTHETIC: YES; SOURCE 3 OTHER_DETAILS: THE PROTEIN WAS CHEMICALLY SYNTHESIZED FROM SOURCE 4 THE SECRETION OF HUMAN (HOMO SAPIENS) PANCREATIC CELLS.; SOURCE 5 MOL_ID: 2; SOURCE 6 SYNTHETIC: YES; SOURCE 7 OTHER_DETAILS: THE PROTEIN WAS CHEMICALLY SYNTHESIZED FROM SOURCE 8 THE SECRETION OF HUMAN (HOMO SAPIENS) PANCREATIC CELLS. KEYWDS HORMONE, GLUCOSE METABOLISM, HORMONE/GROWTH FACTOR COMPLEX EXPDTA SOLUTION NMR AUTHOR S.I.O'DONOGHUE,X.CHANG,R.ABSEHER,M.NILGES,J.J.LED REVDAT 3 24-FEB-09 3AIY 1 VERSN REVDAT 2 01-APR-03 3AIY 1 JRNL REVDAT 1 28-FEB-00 3AIY 0 JRNL AUTH S.I.O'DONOGHUE,X.CHANG,R.ABSEHER,M.NILGES,J.J.LED JRNL TITL UNRAVELING THE SYMMETRY AMBIGUITY IN A HEXAMER: JRNL TITL 2 CALCULATION OF THE R6 HUMAN INSULIN STRUCTURE. JRNL REF J.BIOMOL.NMR V. 16 93 2000 JRNL REFN ISSN 0925-2738 JRNL PMID 10723989 JRNL DOI 10.1023/A:1008323819099 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH S.I.O'DONOGHUE,M.NILGES REMARK 1 TITL CALCULATION OF SYMMETRIC OLIGOMER STRUCTURES FROM REMARK 1 TITL 2 NMR DATA REMARK 1 EDIT N.R.KRISHNA, J.BERLINER REMARK 1 REF STRUCTURE, COMPUTATION AND 1999 REMARK 1 REF 2 DYNAMICS IN PROTEIN NMR REMARK 1 REF 3 (IN: BIOLOGICAL MAGNETIC REMARK 1 REF 4 RESONANCE, V. 17) REMARK 1 PUBL NEW YORK : PLENUM PRESS REMARK 1 REFN ISSN 0-306-45953-1 REMARK 1 REFERENCE 2 REMARK 1 AUTH X.CHANG,A.M.JORGENSEN,P.BARDRUM,J.J.LED REMARK 1 TITL SOLUTION STRUCTURES OF THE R6 HUMAN INSULIN HEXAMER REMARK 1 REF BIOCHEMISTRY V. 36 9409 1997 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : X-PLOR 3.1 REMARK 3 AUTHORS : BRUNGER REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: REFINEMENT WAS DONE IN A SHELL OF REMARK 3 WATER MOLECULES (J.P.LINGE,M.NILGES,1998, J.BIOMOL.NMR, IN REMARK 3 PRESS). REMARK 4 REMARK 4 3AIY COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 14-JUL-99. REMARK 100 THE RCSB ID CODE IS RCSB007014. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 310 REMARK 210 PH : 8.0 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : 1 ATM REMARK 210 SAMPLE CONTENTS : H2O AND D2O REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D DQF-COSY, NOESY AND TOCSY, REMARK 210 2D 13C-1H HSQC, HSQC-TOCSY, 3D REMARK 210 TOCSY-NOESY REMARK 210 SPECTROMETER FIELD STRENGTH : 500 MHZ, 750 MHZ REMARK 210 SPECTROMETER MODEL : AM500, UNITY INOVA PLUS REMARK 210 SPECTROMETER MANUFACTURER : BRUKER, VARIAN REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : X-PLOR REMARK 210 METHOD USED : SYMMETRY-ADR METHOD: REMARK 210 SIMULATED ANNEALING, WATER- REMARK 210 SHELL REFINEMENT, AND ENERGY REMARK 210 MINIMIZATION REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : 40 REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : LOWEST TOTAL ENERGY REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL REMARK 210 REMARK 210 REMARK: IONIC_STRENGTH: NULL PRESSURE: NULL SOLVENT SYSTEM: H2O REMARK 210 AND D2O 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 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: TORSION ANGLES REMARK 500 REMARK 500 TORSION ANGLES OUTSIDE THE EXPECTED RAMACHANDRAN REGIONS: REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT:(10X,I3,1X,A3,1X,A1,I4,A1,4X,F7.2,3X,F7.2) REMARK 500 REMARK 500 EXPECTED VALUES: GJ KLEYWEGT AND TA JONES (1996). PHI/PSI- REMARK 500 CHOLOGY: RAMACHANDRAN REVISITED. STRUCTURE 4, 1395 - 1400 REMARK 500 REMARK 500 M RES CSSEQI PSI PHI REMARK 500 SER A 9 27.65 -151.46 REMARK 500 ILE A 10 132.54 62.77 REMARK 500 VAL B 2 102.11 -48.46 REMARK 500 ASN B 3 -169.34 -108.58 REMARK 500 GLN B 4 -84.86 59.91 REMARK 500 SER C 9 27.90 -151.30 REMARK 500 ILE C 10 132.79 62.60 REMARK 500 VAL D 2 101.76 -48.46 REMARK 500 ASN D 3 -169.31 -108.45 REMARK 500 GLN D 4 -84.73 59.89 REMARK 500 SER E 9 28.08 -151.78 REMARK 500 ILE E 10 132.75 62.46 REMARK 500 VAL F 2 101.83 -48.61 REMARK 500 ASN F 3 -168.91 -108.28 REMARK 500 GLN F 4 -84.84 59.66 REMARK 500 SER G 9 27.61 -151.78 REMARK 500 ILE G 10 132.44 62.79 REMARK 500 VAL H 2 101.98 -48.40 REMARK 500 ASN H 3 -169.30 -108.68 REMARK 500 GLN H 4 -84.98 59.88 REMARK 500 SER I 9 27.89 -151.66 REMARK 500 ILE I 10 132.75 62.66 REMARK 500 VAL J 2 101.71 -48.43 REMARK 500 ASN J 3 -169.32 -108.37 REMARK 500 GLN J 4 -84.95 59.95 REMARK 500 SER K 9 27.62 -151.75 REMARK 500 ILE K 10 132.56 62.86 REMARK 500 VAL L 2 101.79 -48.40 REMARK 500 ASN L 3 -169.22 -108.42 REMARK 500 GLN L 4 -84.87 59.85 REMARK 500 REMARK 500 REMARK: NULL REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: PLANAR GROUPS REMARK 500 REMARK 500 PLANAR GROUPS IN THE FOLLOWING RESIDUES HAVE A TOTAL REMARK 500 RMS DISTANCE OF ALL ATOMS FROM THE BEST-FIT PLANE REMARK 500 BY MORE THAN AN EXPECTED VALUE OF 6*RMSD, WITH AN REMARK 500 RMSD 0.02 ANGSTROMS, OR AT LEAST ONE ATOM HAS REMARK 500 AN RMSD GREATER THAN THIS VALUE REMARK 500 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 500 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 M RES CSSEQI RMS TYPE REMARK 500 ARG B 22 0.15 SIDE_CHAIN REMARK 500 ARG D 22 0.15 SIDE_CHAIN REMARK 500 ARG F 22 0.15 SIDE_CHAIN REMARK 500 ARG H 22 0.15 SIDE_CHAIN REMARK 500 ARG J 22 0.15 SIDE_CHAIN REMARK 500 ARG L 22 0.15 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 800 REMARK 800 SITE REMARK 800 SITE_IDENTIFIER: ZN1 REMARK 800 EVIDENCE_CODE: AUTHOR REMARK 800 SITE_DESCRIPTION: IN THE CRYSTAL STRUCTURE, 1ZNJ, THESE REMARK 800 RESIDUES ARE COORDINATED BY A ZINC ATOM. THE ZINC ATOM IS NOT REMARK 800 INCLUDED SINCE IT COULD NOT BE OBSERVED IN THE NMR SPECTRA. REMARK 800 SITE_IDENTIFIER: ZN2 REMARK 800 EVIDENCE_CODE: AUTHOR REMARK 800 SITE_DESCRIPTION: IN THE CRYSTAL STRUCTURE, 1ZNJ, THESE REMARK 800 RESIDUES ARE COORDINATED BY A ZINC ATOM. THE ZINC ATOM IS NOT REMARK 800 INCLUDED SINCE IT COULD NOT BE OBSERVED IN THE NMR SPECTRA. REMARK 800 SITE_IDENTIFIER: AC1 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPH A 22 REMARK 800 SITE_IDENTIFIER: AC2 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPH C 22 REMARK 800 SITE_IDENTIFIER: AC3 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPH E 22 REMARK 800 SITE_IDENTIFIER: AC4 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPH G 22 REMARK 800 SITE_IDENTIFIER: AC5 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPH I 22 REMARK 800 SITE_IDENTIFIER: AC6 REMARK 800 EVIDENCE_CODE: SOFTWARE REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE IPH K 22 REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 2AIY RELATED DB: PDB REMARK 900 ENSEMBLE OF THE 20 LOWEST ENERGY STRUCTURES REMARK 900 RELATED ID: 4AIY RELATED DB: PDB REMARK 900 STRUCTURES IN THE ENSEMBLE CLUSTER INTO TWO DISTINCT REMARK 900 SUBSTATES, ONE IS DENOTED 'GREEN' IN 4AIY REMARK 900 RELATED ID: 5AIY RELATED DB: PDB REMARK 900 STRUCTURES IN THE ENSEMBLE CLUSTER INTO TWO DISTINCT REMARK 900 SUBSTATES, ONE IS DENOTED 'RED' IN 5AIY DBREF 3AIY A 1 21 UNP P01308 INS_HUMAN 90 110 DBREF 3AIY B 1 30 UNP P01308 INS_HUMAN 25 54 DBREF 3AIY C 1 21 UNP P01308 INS_HUMAN 90 110 DBREF 3AIY D 1 30 UNP P01308 INS_HUMAN 25 54 DBREF 3AIY E 1 21 UNP P01308 INS_HUMAN 90 110 DBREF 3AIY F 1 30 UNP P01308 INS_HUMAN 25 54 DBREF 3AIY G 1 21 UNP P01308 INS_HUMAN 90 110 DBREF 3AIY H 1 30 UNP P01308 INS_HUMAN 25 54 DBREF 3AIY I 1 21 UNP P01308 INS_HUMAN 90 110 DBREF 3AIY J 1 30 UNP P01308 INS_HUMAN 25 54 DBREF 3AIY K 1 21 UNP P01308 INS_HUMAN 90 110 DBREF 3AIY L 1 30 UNP P01308 INS_HUMAN 25 54 SEQRES 1 A 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU SEQRES 2 A 21 TYR GLN LEU GLU ASN TYR CYS ASN SEQRES 1 B 30 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU SEQRES 2 B 30 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR SEQRES 3 B 30 THR PRO LYS THR SEQRES 1 C 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU SEQRES 2 C 21 TYR GLN LEU GLU ASN TYR CYS ASN SEQRES 1 D 30 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU SEQRES 2 D 30 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR SEQRES 3 D 30 THR PRO LYS THR SEQRES 1 E 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU SEQRES 2 E 21 TYR GLN LEU GLU ASN TYR CYS ASN SEQRES 1 F 30 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU SEQRES 2 F 30 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR SEQRES 3 F 30 THR PRO LYS THR SEQRES 1 G 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU SEQRES 2 G 21 TYR GLN LEU GLU ASN TYR CYS ASN SEQRES 1 H 30 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU SEQRES 2 H 30 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR SEQRES 3 H 30 THR PRO LYS THR SEQRES 1 I 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU SEQRES 2 I 21 TYR GLN LEU GLU ASN TYR CYS ASN SEQRES 1 J 30 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU SEQRES 2 J 30 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR SEQRES 3 J 30 THR PRO LYS THR SEQRES 1 K 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU SEQRES 2 K 21 TYR GLN LEU GLU ASN TYR CYS ASN SEQRES 1 L 30 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU SEQRES 2 L 30 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR SEQRES 3 L 30 THR PRO LYS THR HET IPH A 22 13 HET IPH C 22 13 HET IPH E 22 13 HET IPH G 22 13 HET IPH I 22 13 HET IPH K 22 13 HETNAM IPH PHENOL FORMUL 13 IPH 6(C6 H6 O) HELIX 1 1 VAL A 3 CYS A 6 1 4 HELIX 2 2 LEU A 13 TYR A 19 1 7 HELIX 3 3 GLY B 8 CYS B 19 1 12 HELIX 4 4 VAL C 3 SER C 9 1 7 HELIX 5 5 LEU C 13 TYR C 19 1 7 HELIX 6 6 GLY D 8 CYS D 19 1 12 HELIX 7 7 VAL E 3 SER E 9 1 7 HELIX 8 8 LEU E 13 TYR E 19 1 7 HELIX 9 9 GLY F 8 CYS F 19 1 12 HELIX 10 10 VAL G 3 CYS G 6 1 4 HELIX 11 11 LEU G 13 TYR G 19 1 7 HELIX 12 12 GLY H 8 CYS H 19 1 12 HELIX 13 13 VAL I 3 SER I 9 1 7 HELIX 14 14 LEU I 13 TYR I 19 1 7 HELIX 15 15 GLY J 8 CYS J 19 1 12 HELIX 16 16 VAL K 3 CYS K 6 1 4 HELIX 17 17 LEU K 13 TYR K 19 1 7 HELIX 18 18 GLY L 8 CYS L 19 1 12 SHEET 1 A 2 PHE B 24 TYR B 26 0 SHEET 2 A 2 PHE D 24 TYR D 26 -1 N PHE D 24 O TYR B 26 SHEET 1 B 2 PHE F 24 TYR F 26 0 SHEET 2 B 2 PHE H 24 TYR H 26 -1 N PHE H 24 O TYR F 26 SHEET 1 C 2 PHE J 24 TYR J 26 0 SHEET 2 C 2 PHE L 24 TYR L 26 -1 N PHE L 24 O TYR J 26 SSBOND *** CYS A 6 CYS A 11 1555 1555 2.02 SSBOND *** CYS A 7 CYS B 7 1555 1555 2.02 SSBOND *** CYS A 20 CYS B 19 1555 1555 2.02 SSBOND *** CYS C 6 CYS C 11 1555 1555 2.02 SSBOND *** CYS C 7 CYS D 7 1555 1555 2.02 SSBOND *** CYS C 20 CYS D 19 1555 1555 2.02 SSBOND *** CYS E 6 CYS E 11 1555 1555 2.02 SSBOND *** CYS E 7 CYS F 7 1555 1555 2.02 SSBOND *** CYS E 20 CYS F 19 1555 1555 2.02 SSBOND *** CYS G 6 CYS G 11 1555 1555 2.02 SSBOND *** CYS G 7 CYS H 7 1555 1555 2.02 SSBOND *** CYS G 20 CYS H 19 1555 1555 2.02 SSBOND *** CYS I 6 CYS I 11 1555 1555 2.02 SSBOND *** CYS I 7 CYS J 7 1555 1555 2.02 SSBOND *** CYS I 20 CYS J 19 1555 1555 2.02 SSBOND *** CYS K 6 CYS K 11 1555 1555 2.02 SSBOND *** CYS K 7 CYS L 7 1555 1555 2.02 SSBOND *** CYS K 20 CYS L 19 1555 1555 2.02 SITE *** ZN1 3 HIS B 10 HIS F 10 HIS J 10 SITE *** ZN2 3 HIS D 10 HIS H 10 HIS L 10 SITE *** AC1 7 ILE A 10 CYS A 11 LEU A 16 LEU B 11 SITE *** AC1 7 ALA B 14 LEU F 6 LEU H 17 SITE *** AC2 7 ILE C 10 CYS C 11 LEU C 16 LEU D 11 SITE *** AC2 7 ALA D 14 LEU J 17 LEU L 6 SITE *** AC3 7 ILE E 10 CYS E 11 LEU E 16 LEU F 11 SITE *** AC3 7 ALA F 14 LEU J 6 LEU L 17 SITE *** AC4 7 LEU B 17 LEU D 6 ILE G 10 CYS G 11 SITE *** AC4 7 LEU G 16 LEU H 11 ALA H 14 SITE *** AC5 7 LEU B 6 LEU D 17 ILE I 10 CYS I 11 SITE *** AC5 7 LEU I 16 LEU J 11 ALA J 14 SITE *** AC6 7 LEU F 17 LEU H 6 ILE K 10 CYS K 11 SITE *** AC6 7 LEU K 16 LEU L 11 ALA L 14 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 Set 1.1: J 16 TYR OH : rot 92:sc= -0.168! USER MOD Set 1.2: L 9 SER OG : rot -92:sc= 0.0977 USER MOD Set 2.1: K 5 GLN :FLIP amide:sc= -0.814 F(o=-2,f=-1.1) USER MOD Set 2.2: K 12 SER OG : rot 180:sc= 0 USER MOD Set 2.3: K 15 GLN : amide:sc= 0.13 K(o=-1.1,f=-2.8) USER MOD Set 2.4: K 19 TYR OH : rot -33:sc= -0.418 USER MOD Set 3.1: J 9 SER OG : rot -93:sc= 0.149 USER MOD Set 3.2: L 16 TYR OH : rot 92:sc= -0.13! USER MOD Set 4.1: F 3 ASN : amide:sc= 0.336 X(o=0.78,f=0.96) USER MOD Set 4.2: J 1 PHE N :NH3+ -178:sc= 0.445 (180deg=0.418) USER MOD Set 5.1: I 5 GLN :FLIP amide:sc= -0.709 F(o=-1.8,f=-0.8) USER MOD Set 5.2: I 12 SER OG : rot 180:sc= 0 USER MOD Set 5.3: I 15 GLN : amide:sc= 0.138 K(o=-0.8,f=-2.5) USER MOD Set 5.4: I 19 TYR OH : rot -33:sc= -0.235 USER MOD Set 6.1: H 1 PHE N :NH3+ -179:sc= 0.436 (180deg=0.425) USER MOD Set 6.2: L 3 ASN : amide:sc= 0.314 X(o=0.75,f=0.94) USER MOD Set 7.1: G 5 GLN :FLIP amide:sc= -0.778 F(o=-1.7,f=-0.96) USER MOD Set 7.2: G 12 SER OG : rot 180:sc= 0 USER MOD Set 7.3: G 15 GLN : amide:sc= 0.123 K(o=-0.96,f=-2.6) USER MOD Set 7.4: G 19 TYR OH : rot -34:sc= -0.308 USER MOD Set 8.1: F 16 TYR OH : rot 90:sc= -0.125! USER MOD Set 8.2: H 9 SER OG : rot -91:sc= 0.149 USER MOD Set 9.1: F 9 SER OG : rot -91:sc= 0.176 USER MOD Set 9.2: H 16 TYR OH : rot 88:sc= -0.358! USER MOD Set10.1: E 5 GLN :FLIP amide:sc= -0.695 F(o=-1.9,f=-0.93) USER MOD Set10.2: E 12 SER OG : rot 180:sc= 0 USER MOD Set10.3: E 15 GLN : amide:sc= 0.136 K(o=-0.93,f=-2.7) USER MOD Set10.4: E 19 TYR OH : rot -34:sc= -0.371 USER MOD Set11.1: B 16 TYR OH : rot 90:sc= -0.276! USER MOD Set11.2: D 9 SER OG : rot -90:sc= 0.238 USER MOD Set12.1: D 3 ASN : amide:sc= 0.315 X(o=0.88,f=0.87) USER MOD Set12.2: L 1 PHE N :NH3+ -177:sc= 0.567 (180deg=0.344) USER MOD Set13.1: D 1 PHE N :NH3+ -177:sc= 0.471 (180deg=0.409) USER MOD Set13.2: H 3 ASN : amide:sc= 0.287 X(o=0.76,f=0.93) USER MOD Set14.1: C 5 GLN :FLIP amide:sc= -0.659 F(o=-1.7,f=-0.85) USER MOD Set14.2: C 12 SER OG : rot 180:sc= 0 USER MOD Set14.3: C 15 GLN : amide:sc= 0.131 K(o=-0.85,f=-2.6) USER MOD Set14.4: C 19 TYR OH : rot -33:sc= -0.327 USER MOD Set15.1: B 9 SER OG : rot -93:sc= 0.192 USER MOD Set15.2: D 16 TYR OH : rot 88:sc= -0.164! USER MOD Set16.1: B 3 ASN : amide:sc= 0.277 X(o=0.81,f=0.93) USER MOD Set16.2: F 1 PHE N :NH3+ 178:sc= 0.53 (180deg=0.471) USER MOD Set17.1: B 1 PHE N :NH3+ -175:sc= 0.592 (180deg=0.384) USER MOD Set17.2: J 3 ASN : amide:sc= 0.313 X(o=0.91,f=0.94) USER MOD Set18.1: A 5 GLN :FLIP amide:sc= -0.775 F(o=-1.8,f=-0.98) USER MOD Set18.2: A 12 SER OG : rot 180:sc= 0 USER MOD Set18.3: A 15 GLN : amide:sc= 0.146 K(o=-0.98,f=-2.8) USER MOD Set18.4: A 19 TYR OH : rot -33:sc= -0.351 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot -115:sc= 0.32 USER MOD Single : A 9 SER OG : rot 180:sc= -0.351 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.377 K(o=-0.38,f=-5.8!) USER MOD Single : A 21 ASN :FLIP amide:sc= -0.552! F(o=-1.2,f=-0.55!) USER MOD Single : A 22 IPH O1 : rot -160:sc= -0.738 USER MOD Single : B 4 GLN : amide:sc= -1.83! C(o=-1.8!,f=-5.1!) USER MOD Single : B 5 HIS : no HE2:sc= -2.66 K(o=-2.7,f=-4.3!) USER MOD Single : B 10 HIS : no HE2:sc= 0.892 K(o=0.89,f=-3.5!) USER MOD Single : B 26 TYR OH : rot -163:sc= -3! USER MOD Single : B 27 THR OG1 : rot 51:sc= 0.0831 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0.165 USER MOD Single : C 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 8 THR OG1 : rot -116:sc= 0.323 USER MOD Single : C 9 SER OG : rot 180:sc= -0.342 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 18 ASN : amide:sc= -0.276 K(o=-0.28,f=-6!) USER MOD Single : C 21 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.1!) USER MOD Single : C 22 IPH O1 : rot -160:sc= -0.708 USER MOD Single : D 4 GLN : amide:sc= -1.96! C(o=-2!,f=-5.3!) USER MOD Single : D 5 HIS : no HE2:sc= -2.27 K(o=-2.3,f=-3.5!) USER MOD Single : D 10 HIS : no HE2:sc= 1.01 K(o=1,f=-3.7!) USER MOD Single : D 26 TYR OH : rot -164:sc= -3.04! USER MOD Single : D 27 THR OG1 : rot 53:sc= 0.0889 USER MOD Single : D 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : D 30 THR OG1 : rot 180:sc= 0.131 USER MOD Single : E 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : E 8 THR OG1 : rot -115:sc= 0.342 USER MOD Single : E 9 SER OG : rot 180:sc= -0.356 USER MOD Single : E 14 TYR OH : rot 180:sc= 0 USER MOD Single : E 18 ASN : amide:sc= -0.407 K(o=-0.41,f=-5.7!) USER MOD Single : E 21 ASN : amide:sc= -1.21 X(o=-1.2,f=-0.91!) USER MOD Single : E 22 IPH O1 : rot -134:sc= -0.506 USER MOD Single : F 4 GLN : amide:sc= -1.98! C(o=-2!,f=-5.2!) USER MOD Single : F 5 HIS : no HE2:sc= -2.61 K(o=-2.6,f=-4.4!) USER MOD Single : F 10 HIS : no HE2:sc= 0.942 K(o=0.94,f=-3.5!) USER MOD Single : F 26 TYR OH : rot -164:sc= -3.05! USER MOD Single : F 27 THR OG1 : rot 52:sc= 0.0861 USER MOD Single : F 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : F 30 THR OG1 : rot 180:sc= 0.137 USER MOD Single : G 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : G 8 THR OG1 : rot -115:sc= 0.357 USER MOD Single : G 9 SER OG : rot 180:sc= -0.325 USER MOD Single : G 14 TYR OH : rot 180:sc= 0 USER MOD Single : G 18 ASN : amide:sc= -0.268 K(o=-0.27,f=-5.9!) USER MOD Single : G 21 ASN : amide:sc= -1.31 X(o=-1.3,f=-0.84!) USER MOD Single : G 22 IPH O1 : rot -133:sc= -0.504 USER MOD Single : H 4 GLN : amide:sc= -1.85 K(o=-1.9,f=-5.3!) USER MOD Single : H 5 HIS : no HE2:sc= -2.47 K(o=-2.5,f=-3.9!) USER MOD Single : H 10 HIS : no HE2:sc= 0.968 K(o=0.97,f=-3.5!) USER MOD Single : H 26 TYR OH : rot -155:sc= -3.02 USER MOD Single : H 27 THR OG1 : rot 54:sc= 0.074 USER MOD Single : H 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : H 30 THR OG1 : rot 180:sc= 0.132 USER MOD Single : I 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 8 THR OG1 : rot -116:sc= 0.328 USER MOD Single : I 9 SER OG : rot 180:sc= -0.31 USER MOD Single : I 14 TYR OH : rot 180:sc= 0 USER MOD Single : I 18 ASN : amide:sc= -0.432 K(o=-0.43,f=-5.9!) USER MOD Single : I 21 ASN : amide:sc= -1.28 X(o=-1.3,f=-1!) USER MOD Single : I 22 IPH O1 : rot -133:sc= -0.662! USER MOD Single : J 4 GLN : amide:sc= -1.98! C(o=-2!,f=-5.4!) USER MOD Single : J 5 HIS : no HE2:sc= -2.39 K(o=-2.4,f=-4!) USER MOD Single : J 10 HIS : no HE2:sc= 0.921 K(o=0.92,f=-3.3!) USER MOD Single : J 26 TYR OH : rot -156:sc= -3.01! USER MOD Single : J 27 THR OG1 : rot 52:sc= 0.0986 USER MOD Single : J 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : J 30 THR OG1 : rot 180:sc= 0.158 USER MOD Single : K 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : K 8 THR OG1 : rot -115:sc= 0.329 USER MOD Single : K 9 SER OG : rot 180:sc= -0.318 USER MOD Single : K 14 TYR OH : rot 180:sc= 0 USER MOD Single : K 18 ASN : amide:sc= -0.41 K(o=-0.41,f=-5.9!) USER MOD Single : K 21 ASN : amide:sc= -1.3 X(o=-1.3,f=-0.96!) USER MOD Single : K 22 IPH O1 : rot -160:sc= -1.01 USER MOD Single : L 4 GLN : amide:sc= -1.9 K(o=-1.9,f=-5.4!) USER MOD Single : L 5 HIS : no HE2:sc= -2.77 K(o=-2.8,f=-4.5!) USER MOD Single : L 10 HIS : no HE2:sc= 0.895 K(o=0.89,f=-3.4!) USER MOD Single : L 26 TYR OH : rot -167:sc= -2.97 USER MOD Single : L 27 THR OG1 : rot 53:sc= 0.09 USER MOD Single : L 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : L 30 THR OG1 : rot 180:sc= 0.147 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.829 18.269 14.433 1.00 40.00 N ATOM 2 CA GLY A 1 -3.159 18.963 13.154 1.00 40.00 C ATOM 3 C GLY A 1 -3.975 18.027 12.259 1.00 40.00 C ATOM 4 O GLY A 1 -5.188 18.089 12.222 1.00 40.00 O ATOM 0 H1 GLY A 1 -2.275 18.906 15.040 1.00 40.00 H new ATOM 0 H2 GLY A 1 -3.708 18.004 14.921 1.00 40.00 H new ATOM 0 H3 GLY A 1 -2.274 17.413 14.230 1.00 40.00 H new ATOM 0 HA2 GLY A 1 -3.724 19.873 13.357 1.00 40.00 H new ATOM 0 HA3 GLY A 1 -2.243 19.263 12.645 1.00 40.00 H new ATOM 10 N ILE A 2 -3.318 17.159 11.539 1.00 33.61 N ATOM 11 CA ILE A 2 -4.055 16.221 10.648 1.00 25.80 C ATOM 12 C ILE A 2 -3.573 14.797 10.910 1.00 21.32 C ATOM 13 O ILE A 2 -4.352 13.868 10.972 1.00 23.26 O ATOM 14 CB ILE A 2 -3.782 16.588 9.189 1.00 27.38 C ATOM 15 CG1 ILE A 2 -4.518 15.613 8.266 1.00 27.38 C ATOM 16 CG2 ILE A 2 -2.279 16.507 8.918 1.00 32.43 C ATOM 17 CD1 ILE A 2 -4.313 16.037 6.810 1.00 34.81 C ATOM 0 H ILE A 2 -2.303 17.060 11.530 1.00 33.61 H new ATOM 0 HA ILE A 2 -5.125 16.289 10.847 1.00 25.80 H new ATOM 0 HB ILE A 2 -4.135 17.602 8.999 1.00 27.38 H new ATOM 0 HG12 ILE A 2 -4.145 14.600 8.417 1.00 27.38 H new ATOM 0 HG13 ILE A 2 -5.581 15.600 8.506 1.00 27.38 H new ATOM 0 HG21 ILE A 2 -2.082 16.768 7.878 1.00 32.43 H new ATOM 0 HG22 ILE A 2 -1.753 17.202 9.573 1.00 32.43 H new ATOM 0 HG23 ILE A 2 -1.929 15.493 9.110 1.00 32.43 H new ATOM 0 HD11 ILE A 2 -4.837 15.344 6.152 1.00 34.81 H new ATOM 0 HD12 ILE A 2 -4.707 17.043 6.665 1.00 34.81 H new ATOM 0 HD13 ILE A 2 -3.249 16.027 6.575 1.00 34.81 H new ATOM 29 N VAL A 3 -2.292 14.620 11.061 1.00 24.76 N ATOM 30 CA VAL A 3 -1.756 13.257 11.318 1.00 29.57 C ATOM 31 C VAL A 3 -2.272 12.752 12.661 1.00 33.01 C ATOM 32 O VAL A 3 -2.928 11.733 12.750 1.00 40.00 O ATOM 33 CB VAL A 3 -0.229 13.314 11.356 1.00 40.00 C ATOM 34 CG1 VAL A 3 0.330 11.894 11.446 1.00 40.00 C ATOM 35 CG2 VAL A 3 0.288 13.985 10.082 1.00 40.00 C ATOM 0 H VAL A 3 -1.592 15.361 11.017 1.00 24.76 H new ATOM 0 HA VAL A 3 -2.081 12.583 10.525 1.00 29.57 H new ATOM 0 HB VAL A 3 0.092 13.888 12.225 1.00 40.00 H new ATOM 0 HG11 VAL A 3 1.419 11.933 11.473 1.00 40.00 H new ATOM 0 HG12 VAL A 3 -0.039 11.415 12.353 1.00 40.00 H new ATOM 0 HG13 VAL A 3 0.009 11.321 10.576 1.00 40.00 H new ATOM 0 HG21 VAL A 3 1.377 14.026 10.109 1.00 40.00 H new ATOM 0 HG22 VAL A 3 -0.032 13.411 9.213 1.00 40.00 H new ATOM 0 HG23 VAL A 3 -0.112 14.997 10.016 1.00 40.00 H new ATOM 45 N GLU A 4 -1.972 13.458 13.710 1.00 38.53 N ATOM 46 CA GLU A 4 -2.431 13.031 15.059 1.00 40.00 C ATOM 47 C GLU A 4 -3.964 13.023 15.125 1.00 39.17 C ATOM 48 O GLU A 4 -4.548 12.439 16.016 1.00 40.00 O ATOM 49 CB GLU A 4 -1.887 14.012 16.098 1.00 40.00 C ATOM 50 CG GLU A 4 -2.174 13.484 17.503 1.00 40.00 C ATOM 51 CD GLU A 4 -1.657 14.490 18.535 1.00 40.00 C ATOM 52 OE1 GLU A 4 -1.636 15.672 18.223 1.00 40.00 O ATOM 53 OE2 GLU A 4 -1.293 14.062 19.620 1.00 40.00 O ATOM 0 H GLU A 4 -1.425 14.319 13.692 1.00 38.53 H new ATOM 0 HA GLU A 4 -2.066 12.024 15.260 1.00 40.00 H new ATOM 0 HB2 GLU A 4 -0.814 14.144 15.961 1.00 40.00 H new ATOM 0 HB3 GLU A 4 -2.348 14.991 15.965 1.00 40.00 H new ATOM 0 HG2 GLU A 4 -3.245 13.328 17.634 1.00 40.00 H new ATOM 0 HG3 GLU A 4 -1.691 12.517 17.647 1.00 40.00 H new ATOM 60 N GLN A 5 -4.622 13.673 14.206 1.00 29.57 N ATOM 61 CA GLN A 5 -6.109 13.706 14.247 1.00 26.32 C ATOM 62 C GLN A 5 -6.699 12.539 13.451 1.00 19.47 C ATOM 63 O GLN A 5 -7.695 11.961 13.836 1.00 24.26 O ATOM 64 CB GLN A 5 -6.595 15.021 13.639 1.00 34.20 C ATOM 65 CG GLN A 5 -8.119 15.093 13.725 1.00 26.85 C ATOM 66 CD GLN A 5 -8.616 16.278 12.897 1.00 26.32 C ATOM 67 OE1 GLN A 5 -9.621 16.114 12.081 1.00 34.20 O flip ATOM 68 NE2 GLN A 5 -8.086 17.367 12.994 1.00 30.13 N flip ATOM 0 H GLN A 5 -4.196 14.181 13.431 1.00 29.57 H new ATOM 0 HA GLN A 5 -6.434 13.623 15.284 1.00 26.32 H new ATOM 0 HB2 GLN A 5 -6.151 15.864 14.168 1.00 34.20 H new ATOM 0 HB3 GLN A 5 -6.276 15.093 12.599 1.00 34.20 H new ATOM 0 HG2 GLN A 5 -8.560 14.167 13.356 1.00 26.85 H new ATOM 0 HG3 GLN A 5 -8.431 15.204 14.763 1.00 26.85 H new ATOM 0 HE21 GLN A 5 -7.300 17.497 13.631 1.00 30.13 H new ATOM 0 HE22 GLN A 5 -8.427 18.151 12.438 1.00 30.13 H new ATOM 77 N CYS A 6 -6.117 12.202 12.331 1.00 14.80 N ATOM 78 CA CYS A 6 -6.686 11.094 11.513 1.00 12.53 C ATOM 79 C CYS A 6 -5.931 9.788 11.749 1.00 13.64 C ATOM 80 O CYS A 6 -6.429 8.726 11.425 1.00 17.70 O ATOM 81 CB CYS A 6 -6.616 11.468 10.032 1.00 12.90 C ATOM 82 SG CYS A 6 -7.445 13.058 9.767 1.00 15.60 S ATOM 0 H CYS A 6 -5.279 12.642 11.950 1.00 14.80 H new ATOM 0 HA CYS A 6 -7.724 10.945 11.811 1.00 12.53 H new ATOM 0 HB2 CYS A 6 -5.576 11.531 9.711 1.00 12.90 H new ATOM 0 HB3 CYS A 6 -7.090 10.694 9.428 1.00 12.90 H new ATOM 87 N CYS A 7 -4.752 9.837 12.313 1.00 16.43 N ATOM 88 CA CYS A 7 -4.013 8.566 12.560 1.00 20.85 C ATOM 89 C CYS A 7 -4.248 8.105 14.002 1.00 22.28 C ATOM 90 O CYS A 7 -3.476 7.357 14.567 1.00 37.90 O ATOM 91 CB CYS A 7 -2.520 8.755 12.311 1.00 24.76 C ATOM 92 SG CYS A 7 -1.727 7.128 12.326 1.00 33.61 S ATOM 0 H CYS A 7 -4.276 10.689 12.609 1.00 16.43 H new ATOM 0 HA CYS A 7 -4.384 7.807 11.872 1.00 20.85 H new ATOM 0 HB2 CYS A 7 -2.355 9.248 11.353 1.00 24.76 H new ATOM 0 HB3 CYS A 7 -2.086 9.396 13.079 1.00 24.76 H new ATOM 97 N THR A 8 -5.329 8.520 14.594 1.00 21.32 N ATOM 98 CA THR A 8 -5.632 8.079 15.980 1.00 24.26 C ATOM 99 C THR A 8 -6.885 7.212 15.934 1.00 28.47 C ATOM 100 O THR A 8 -6.957 6.162 16.539 1.00 40.00 O ATOM 101 CB THR A 8 -5.879 9.298 16.869 1.00 28.47 C ATOM 102 OG1 THR A 8 -6.654 10.249 16.153 1.00 40.00 O ATOM 103 CG2 THR A 8 -4.539 9.921 17.264 1.00 40.00 C ATOM 0 H THR A 8 -6.017 9.147 14.177 1.00 21.32 H new ATOM 0 HA THR A 8 -4.794 7.515 16.390 1.00 24.26 H new ATOM 0 HB THR A 8 -6.414 8.994 17.769 1.00 28.47 H new ATOM 0 HG1 THR A 8 -6.123 11.060 16.007 1.00 40.00 H new ATOM 0 HG21 THR A 8 -4.715 10.790 17.898 1.00 40.00 H new ATOM 0 HG22 THR A 8 -3.944 9.189 17.809 1.00 40.00 H new ATOM 0 HG23 THR A 8 -4.002 10.229 16.367 1.00 40.00 H new ATOM 111 N SER A 9 -7.869 7.647 15.198 1.00 23.75 N ATOM 112 CA SER A 9 -9.127 6.861 15.081 1.00 34.20 C ATOM 113 C SER A 9 -9.769 7.149 13.723 1.00 27.92 C ATOM 114 O SER A 9 -10.969 7.066 13.563 1.00 40.00 O ATOM 115 CB SER A 9 -10.086 7.267 16.199 1.00 40.00 C ATOM 116 OG SER A 9 -9.340 7.530 17.381 1.00 40.00 O ATOM 0 H SER A 9 -7.855 8.519 14.669 1.00 23.75 H new ATOM 0 HA SER A 9 -8.908 5.797 15.165 1.00 34.20 H new ATOM 0 HB2 SER A 9 -10.651 8.152 15.906 1.00 40.00 H new ATOM 0 HB3 SER A 9 -10.810 6.472 16.380 1.00 40.00 H new ATOM 0 HG SER A 9 -9.950 7.793 18.101 1.00 40.00 H new ATOM 122 N ILE A 10 -8.967 7.494 12.748 1.00 20.38 N ATOM 123 CA ILE A 10 -9.499 7.793 11.387 1.00 16.84 C ATOM 124 C ILE A 10 -10.434 9.004 11.436 1.00 15.20 C ATOM 125 O ILE A 10 -11.311 9.097 12.269 1.00 19.92 O ATOM 126 CB ILE A 10 -10.253 6.572 10.844 1.00 20.85 C ATOM 127 CG1 ILE A 10 -9.280 5.398 10.733 1.00 26.32 C ATOM 128 CG2 ILE A 10 -10.828 6.884 9.461 1.00 19.02 C ATOM 129 CD1 ILE A 10 -9.405 4.513 11.975 1.00 36.65 C ATOM 0 H ILE A 10 -7.955 7.582 12.840 1.00 20.38 H new ATOM 0 HA ILE A 10 -8.664 8.023 10.725 1.00 16.84 H new ATOM 0 HB ILE A 10 -11.070 6.320 11.520 1.00 20.85 H new ATOM 0 HG12 ILE A 10 -9.495 4.817 9.836 1.00 26.32 H new ATOM 0 HG13 ILE A 10 -8.259 5.766 10.637 1.00 26.32 H new ATOM 0 HG21 ILE A 10 -11.361 6.012 9.083 1.00 19.02 H new ATOM 0 HG22 ILE A 10 -11.516 7.726 9.535 1.00 19.02 H new ATOM 0 HG23 ILE A 10 -10.017 7.137 8.778 1.00 19.02 H new ATOM 0 HD11 ILE A 10 -8.712 3.676 11.896 1.00 36.65 H new ATOM 0 HD12 ILE A 10 -9.169 5.098 12.864 1.00 36.65 H new ATOM 0 HD13 ILE A 10 -10.424 4.134 12.051 1.00 36.65 H new ATOM 141 N CYS A 11 -10.246 9.927 10.531 1.00 12.17 N ATOM 142 CA CYS A 11 -11.112 11.135 10.491 1.00 13.27 C ATOM 143 C CYS A 11 -12.375 10.812 9.695 1.00 14.80 C ATOM 144 O CYS A 11 -12.488 9.766 9.091 1.00 16.01 O ATOM 145 CB CYS A 11 -10.367 12.276 9.792 1.00 14.41 C ATOM 146 SG CYS A 11 -9.116 12.964 10.902 1.00 15.60 S ATOM 0 H CYS A 11 -9.523 9.893 9.813 1.00 12.17 H new ATOM 0 HA CYS A 11 -11.371 11.433 11.507 1.00 13.27 H new ATOM 0 HB2 CYS A 11 -9.895 11.909 8.880 1.00 14.41 H new ATOM 0 HB3 CYS A 11 -11.071 13.054 9.496 1.00 14.41 H new ATOM 151 N SER A 12 -13.323 11.707 9.680 1.00 16.84 N ATOM 152 CA SER A 12 -14.572 11.452 8.913 1.00 19.92 C ATOM 153 C SER A 12 -14.404 11.975 7.490 1.00 19.92 C ATOM 154 O SER A 12 -13.544 12.788 7.214 1.00 18.57 O ATOM 155 CB SER A 12 -15.742 12.175 9.578 1.00 23.26 C ATOM 156 OG SER A 12 -16.060 11.526 10.801 1.00 40.00 O ATOM 0 H SER A 12 -13.286 12.603 10.166 1.00 16.84 H new ATOM 0 HA SER A 12 -14.771 10.381 8.894 1.00 19.92 H new ATOM 0 HB2 SER A 12 -15.483 13.217 9.763 1.00 23.26 H new ATOM 0 HB3 SER A 12 -16.608 12.174 8.917 1.00 23.26 H new ATOM 0 HG SER A 12 -16.809 11.988 11.231 1.00 40.00 H new ATOM 162 N LEU A 13 -15.218 11.518 6.585 1.00 22.76 N ATOM 163 CA LEU A 13 -15.109 11.986 5.177 1.00 25.28 C ATOM 164 C LEU A 13 -15.190 13.515 5.130 1.00 25.28 C ATOM 165 O LEU A 13 -14.452 14.161 4.415 1.00 24.76 O ATOM 166 CB LEU A 13 -16.254 11.386 4.362 1.00 32.43 C ATOM 167 CG LEU A 13 -16.071 11.737 2.886 1.00 35.41 C ATOM 168 CD1 LEU A 13 -16.507 10.552 2.024 1.00 40.00 C ATOM 169 CD2 LEU A 13 -16.928 12.957 2.544 1.00 40.00 C ATOM 0 H LEU A 13 -15.958 10.838 6.759 1.00 22.76 H new ATOM 0 HA LEU A 13 -14.153 11.668 4.760 1.00 25.28 H new ATOM 0 HB2 LEU A 13 -16.276 10.304 4.489 1.00 32.43 H new ATOM 0 HB3 LEU A 13 -17.209 11.769 4.722 1.00 32.43 H new ATOM 0 HG LEU A 13 -15.022 11.962 2.692 1.00 35.41 H new ATOM 0 HD11 LEU A 13 -16.377 10.801 0.971 1.00 40.00 H new ATOM 0 HD12 LEU A 13 -15.899 9.681 2.269 1.00 40.00 H new ATOM 0 HD13 LEU A 13 -17.556 10.328 2.217 1.00 40.00 H new ATOM 0 HD21 LEU A 13 -16.799 13.209 1.491 1.00 40.00 H new ATOM 0 HD22 LEU A 13 -17.977 12.731 2.737 1.00 40.00 H new ATOM 0 HD23 LEU A 13 -16.620 13.802 3.160 1.00 40.00 H new ATOM 181 N TYR A 14 -16.079 14.100 5.882 1.00 28.47 N ATOM 182 CA TYR A 14 -16.204 15.588 5.868 1.00 32.43 C ATOM 183 C TYR A 14 -14.972 16.219 6.510 1.00 28.47 C ATOM 184 O TYR A 14 -14.522 17.271 6.106 1.00 30.70 O ATOM 185 CB TYR A 14 -17.446 16.005 6.657 1.00 40.00 C ATOM 186 CG TYR A 14 -18.667 15.405 6.009 1.00 40.00 C ATOM 187 CD1 TYR A 14 -19.079 14.054 6.352 1.00 40.00 C ATOM 188 CD2 TYR A 14 -19.427 16.173 5.038 1.00 40.00 C ATOM 189 CE1 TYR A 14 -20.253 13.470 5.723 1.00 40.00 C ATOM 190 CE2 TYR A 14 -20.601 15.590 4.407 1.00 40.00 C ATOM 191 CZ TYR A 14 -21.014 14.237 4.750 1.00 40.00 C ATOM 192 OH TYR A 14 -22.126 13.679 4.151 1.00 40.00 O ATOM 0 H TYR A 14 -16.725 13.615 6.506 1.00 28.47 H new ATOM 0 HA TYR A 14 -16.290 15.927 4.836 1.00 32.43 H new ATOM 0 HB2 TYR A 14 -17.365 15.668 7.691 1.00 40.00 H new ATOM 0 HB3 TYR A 14 -17.529 17.092 6.681 1.00 40.00 H new ATOM 0 HD1 TYR A 14 -18.513 13.484 7.074 1.00 40.00 H new ATOM 0 HD2 TYR A 14 -19.120 17.177 4.784 1.00 40.00 H new ATOM 0 HE1 TYR A 14 -20.560 12.466 5.979 1.00 40.00 H new ATOM 0 HE2 TYR A 14 -21.166 16.161 3.685 1.00 40.00 H new ATOM 0 HH TYR A 14 -22.520 14.324 3.527 1.00 40.00 H new ATOM 202 N GLN A 15 -14.430 15.594 7.514 1.00 24.76 N ATOM 203 CA GLN A 15 -13.235 16.170 8.186 1.00 23.26 C ATOM 204 C GLN A 15 -12.065 16.223 7.204 1.00 19.92 C ATOM 205 O GLN A 15 -11.254 17.126 7.238 1.00 21.79 O ATOM 206 CB GLN A 15 -12.857 15.297 9.381 1.00 23.26 C ATOM 207 CG GLN A 15 -13.519 15.848 10.643 1.00 29.02 C ATOM 208 CD GLN A 15 -13.241 14.906 11.812 1.00 26.85 C ATOM 209 OE1 GLN A 15 -13.825 13.845 11.902 1.00 40.00 O ATOM 210 NE2 GLN A 15 -12.366 15.251 12.716 1.00 40.00 N ATOM 0 H GLN A 15 -14.762 14.710 7.899 1.00 24.76 H new ATOM 0 HA GLN A 15 -13.464 17.180 8.527 1.00 23.26 H new ATOM 0 HB2 GLN A 15 -13.176 14.269 9.209 1.00 23.26 H new ATOM 0 HB3 GLN A 15 -11.774 15.279 9.504 1.00 23.26 H new ATOM 0 HG2 GLN A 15 -13.134 16.844 10.864 1.00 29.02 H new ATOM 0 HG3 GLN A 15 -14.593 15.948 10.490 1.00 29.02 H new ATOM 0 HE21 GLN A 15 -11.877 16.143 12.638 1.00 40.00 H new ATOM 0 HE22 GLN A 15 -12.171 14.629 13.501 1.00 40.00 H new ATOM 219 N LEU A 16 -11.966 15.260 6.334 1.00 17.27 N ATOM 220 CA LEU A 16 -10.841 15.253 5.359 1.00 15.20 C ATOM 221 C LEU A 16 -11.006 16.403 4.367 1.00 18.57 C ATOM 222 O LEU A 16 -10.042 16.994 3.920 1.00 20.38 O ATOM 223 CB LEU A 16 -10.835 13.922 4.607 1.00 13.64 C ATOM 224 CG LEU A 16 -10.618 12.781 5.600 1.00 12.90 C ATOM 225 CD1 LEU A 16 -10.755 11.440 4.881 1.00 14.80 C ATOM 226 CD2 LEU A 16 -9.218 12.887 6.204 1.00 12.53 C ATOM 0 H LEU A 16 -12.615 14.477 6.255 1.00 17.27 H new ATOM 0 HA LEU A 16 -9.898 15.377 5.892 1.00 15.20 H new ATOM 0 HB2 LEU A 16 -11.779 13.785 4.079 1.00 13.64 H new ATOM 0 HB3 LEU A 16 -10.046 13.920 3.855 1.00 13.64 H new ATOM 0 HG LEU A 16 -11.365 12.848 6.391 1.00 12.90 H new ATOM 0 HD11 LEU A 16 -10.600 10.628 5.592 1.00 14.80 H new ATOM 0 HD12 LEU A 16 -11.753 11.359 4.450 1.00 14.80 H new ATOM 0 HD13 LEU A 16 -10.010 11.375 4.088 1.00 14.80 H new ATOM 0 HD21 LEU A 16 -9.065 12.073 6.912 1.00 12.53 H new ATOM 0 HD22 LEU A 16 -8.474 12.823 5.410 1.00 12.53 H new ATOM 0 HD23 LEU A 16 -9.116 13.841 6.721 1.00 12.53 H new ATOM 238 N GLU A 17 -12.220 16.728 4.017 1.00 20.85 N ATOM 239 CA GLU A 17 -12.446 17.842 3.050 1.00 26.32 C ATOM 240 C GLU A 17 -11.817 19.133 3.576 1.00 29.57 C ATOM 241 O GLU A 17 -11.313 19.940 2.823 1.00 34.20 O ATOM 242 CB GLU A 17 -13.947 18.054 2.864 1.00 31.27 C ATOM 243 CG GLU A 17 -14.444 17.181 1.713 1.00 40.00 C ATOM 244 CD GLU A 17 -15.763 17.743 1.183 1.00 40.00 C ATOM 245 OE1 GLU A 17 -15.742 18.836 0.637 1.00 40.00 O ATOM 246 OE2 GLU A 17 -16.773 17.071 1.332 1.00 40.00 O ATOM 0 H GLU A 17 -13.066 16.271 4.358 1.00 20.85 H new ATOM 0 HA GLU A 17 -11.986 17.583 2.097 1.00 26.32 H new ATOM 0 HB2 GLU A 17 -14.478 17.801 3.782 1.00 31.27 H new ATOM 0 HB3 GLU A 17 -14.154 19.103 2.655 1.00 31.27 H new ATOM 0 HG2 GLU A 17 -13.701 17.153 0.916 1.00 40.00 H new ATOM 0 HG3 GLU A 17 -14.584 16.155 2.054 1.00 40.00 H new ATOM 253 N ASN A 18 -11.845 19.340 4.864 1.00 30.13 N ATOM 254 CA ASN A 18 -11.252 20.587 5.435 1.00 36.65 C ATOM 255 C ASN A 18 -9.805 20.738 4.963 1.00 33.01 C ATOM 256 O ASN A 18 -9.310 21.834 4.783 1.00 37.27 O ATOM 257 CB ASN A 18 -11.281 20.513 6.962 1.00 40.00 C ATOM 258 CG ASN A 18 -12.729 20.396 7.439 1.00 38.53 C ATOM 259 OD1 ASN A 18 -13.487 19.597 6.924 1.00 40.00 O ATOM 260 ND2 ASN A 18 -13.148 21.164 8.405 1.00 40.00 N ATOM 0 H ASN A 18 -12.252 18.701 5.547 1.00 30.13 H new ATOM 0 HA ASN A 18 -11.833 21.446 5.098 1.00 36.65 H new ATOM 0 HB2 ASN A 18 -10.703 19.655 7.306 1.00 40.00 H new ATOM 0 HB3 ASN A 18 -10.817 21.402 7.389 1.00 40.00 H new ATOM 0 HD21 ASN A 18 -14.113 21.095 8.730 1.00 40.00 H new ATOM 0 HD22 ASN A 18 -12.511 21.834 8.836 1.00 40.00 H new ATOM 267 N TYR A 19 -9.122 19.648 4.763 1.00 28.47 N ATOM 268 CA TYR A 19 -7.707 19.728 4.304 1.00 27.38 C ATOM 269 C TYR A 19 -7.643 19.745 2.768 1.00 26.32 C ATOM 270 O TYR A 19 -6.614 20.037 2.193 1.00 40.00 O ATOM 271 CB TYR A 19 -6.941 18.517 4.835 1.00 27.38 C ATOM 272 CG TYR A 19 -7.138 18.425 6.329 1.00 26.85 C ATOM 273 CD1 TYR A 19 -6.239 19.136 7.225 1.00 40.00 C ATOM 274 CD2 TYR A 19 -8.226 17.630 6.871 1.00 40.00 C ATOM 275 CE1 TYR A 19 -6.429 19.051 8.664 1.00 40.00 C ATOM 276 CE2 TYR A 19 -8.418 17.544 8.311 1.00 40.00 C ATOM 277 CZ TYR A 19 -7.519 18.254 9.207 1.00 30.13 C ATOM 278 OH TYR A 19 -7.699 18.173 10.573 1.00 34.81 O ATOM 0 H TYR A 19 -9.482 18.703 4.897 1.00 28.47 H new ATOM 0 HA TYR A 19 -7.259 20.647 4.682 1.00 27.38 H new ATOM 0 HB2 TYR A 19 -7.295 17.606 4.352 1.00 27.38 H new ATOM 0 HB3 TYR A 19 -5.881 18.610 4.600 1.00 27.38 H new ATOM 0 HD1 TYR A 19 -5.430 19.727 6.821 1.00 40.00 H new ATOM 0 HD2 TYR A 19 -8.893 17.102 6.205 1.00 40.00 H new ATOM 0 HE1 TYR A 19 -5.762 19.579 9.329 1.00 40.00 H new ATOM 0 HE2 TYR A 19 -9.227 16.953 8.714 1.00 40.00 H new ATOM 0 HH TYR A 19 -6.828 18.215 11.021 1.00 34.81 H new ATOM 288 N CYS A 20 -8.722 19.434 2.095 1.00 22.28 N ATOM 289 CA CYS A 20 -8.694 19.440 0.609 1.00 24.76 C ATOM 290 C CYS A 20 -8.231 20.808 0.108 1.00 33.01 C ATOM 291 O CYS A 20 -8.358 21.806 0.787 1.00 40.00 O ATOM 292 CB CYS A 20 -10.098 19.155 0.079 1.00 23.75 C ATOM 293 SG CYS A 20 -9.980 18.503 -1.601 1.00 30.13 S ATOM 0 H CYS A 20 -9.616 19.178 2.513 1.00 22.28 H new ATOM 0 HA CYS A 20 -8.003 18.674 0.256 1.00 24.76 H new ATOM 0 HB2 CYS A 20 -10.605 18.438 0.725 1.00 23.75 H new ATOM 0 HB3 CYS A 20 -10.694 20.067 0.086 1.00 23.75 H new ATOM 298 N ASN A 21 -7.696 20.859 -1.078 1.00 25.80 N ATOM 299 CA ASN A 21 -7.224 22.159 -1.627 1.00 35.41 C ATOM 300 C ASN A 21 -8.379 22.858 -2.345 1.00 40.00 C ATOM 301 O ASN A 21 -9.122 23.563 -1.683 1.00 40.00 O ATOM 302 CB ASN A 21 -6.087 21.906 -2.617 1.00 40.00 C ATOM 303 CG ASN A 21 -5.603 23.239 -3.185 1.00 40.00 C ATOM 304 OD1 ASN A 21 -4.391 23.646 -2.921 1.00 40.00 O flip ATOM 305 ND2 ASN A 21 -6.336 23.921 -3.877 1.00 40.00 N flip ATOM 306 OXT ASN A 21 -8.498 22.676 -3.546 1.00 40.00 O ATOM 0 H ASN A 21 -7.565 20.055 -1.692 1.00 25.80 H new ATOM 0 HA ASN A 21 -6.867 22.791 -0.814 1.00 35.41 H new ATOM 0 HB2 ASN A 21 -5.265 21.390 -2.120 1.00 40.00 H new ATOM 0 HB3 ASN A 21 -6.430 21.257 -3.423 1.00 40.00 H new ATOM 0 HD21 ASN A 21 -7.283 23.604 -4.084 1.00 40.00 H new ATOM 0 HD22 ASN A 21 -6.003 24.810 -4.250 1.00 40.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 5.344 -0.060 16.163 1.00 40.00 N ATOM 315 CA PHE B 1 4.128 0.787 15.995 1.00 40.00 C ATOM 316 C PHE B 1 4.495 2.064 15.217 1.00 40.00 C ATOM 317 O PHE B 1 3.844 3.085 15.343 1.00 40.00 O ATOM 318 CB PHE B 1 3.568 1.152 17.384 1.00 40.00 C ATOM 319 CG PHE B 1 4.550 2.034 18.136 1.00 40.00 C ATOM 320 CD1 PHE B 1 5.803 1.480 18.623 1.00 40.00 C ATOM 321 CD2 PHE B 1 4.240 3.438 18.354 1.00 40.00 C ATOM 322 CE1 PHE B 1 6.748 2.332 19.329 1.00 40.00 C ATOM 323 CE2 PHE B 1 5.184 4.289 19.061 1.00 40.00 C ATOM 324 CZ PHE B 1 6.438 3.738 19.549 1.00 40.00 C ATOM 0 H1 PHE B 1 5.081 -0.960 16.613 1.00 40.00 H new ATOM 0 H2 PHE B 1 5.767 -0.249 15.232 1.00 40.00 H new ATOM 0 H3 PHE B 1 6.034 0.438 16.762 1.00 40.00 H new ATOM 0 HA PHE B 1 3.369 0.239 15.436 1.00 40.00 H new ATOM 0 HB2 PHE B 1 2.615 1.669 17.274 1.00 40.00 H new ATOM 0 HB3 PHE B 1 3.374 0.244 17.955 1.00 40.00 H new ATOM 0 HD1 PHE B 1 6.032 0.437 18.461 1.00 40.00 H new ATOM 0 HD2 PHE B 1 3.309 3.849 17.991 1.00 40.00 H new ATOM 0 HE1 PHE B 1 7.680 1.922 19.690 1.00 40.00 H new ATOM 0 HE2 PHE B 1 4.953 5.331 19.224 1.00 40.00 H new ATOM 0 HZ PHE B 1 7.139 4.370 20.074 1.00 40.00 H new ATOM 336 N VAL B 2 5.541 2.021 14.428 1.00 40.00 N ATOM 337 CA VAL B 2 5.967 3.235 13.655 1.00 40.00 C ATOM 338 C VAL B 2 4.776 3.865 12.936 1.00 31.27 C ATOM 339 O VAL B 2 4.324 3.384 11.914 1.00 40.00 O ATOM 340 CB VAL B 2 7.010 2.829 12.621 1.00 40.00 C ATOM 341 CG1 VAL B 2 8.283 2.392 13.345 1.00 40.00 C ATOM 342 CG2 VAL B 2 6.466 1.669 11.777 1.00 40.00 C ATOM 0 H VAL B 2 6.122 1.195 14.284 1.00 40.00 H new ATOM 0 HA VAL B 2 6.383 3.963 14.352 1.00 40.00 H new ATOM 0 HB VAL B 2 7.234 3.672 11.967 1.00 40.00 H new ATOM 0 HG11 VAL B 2 9.036 2.099 12.613 1.00 40.00 H new ATOM 0 HG12 VAL B 2 8.663 3.219 13.945 1.00 40.00 H new ATOM 0 HG13 VAL B 2 8.060 1.545 13.994 1.00 40.00 H new ATOM 0 HG21 VAL B 2 7.211 1.377 11.037 1.00 40.00 H new ATOM 0 HG22 VAL B 2 6.246 0.820 12.424 1.00 40.00 H new ATOM 0 HG23 VAL B 2 5.554 1.984 11.270 1.00 40.00 H new ATOM 352 N ASN B 3 4.258 4.928 13.473 1.00 31.27 N ATOM 353 CA ASN B 3 3.089 5.585 12.835 1.00 40.00 C ATOM 354 C ASN B 3 3.534 6.912 12.212 1.00 40.00 C ATOM 355 O ASN B 3 4.711 7.195 12.107 1.00 40.00 O ATOM 356 CB ASN B 3 2.014 5.824 13.903 1.00 40.00 C ATOM 357 CG ASN B 3 1.039 4.639 13.924 1.00 40.00 C ATOM 358 OD1 ASN B 3 -0.164 4.824 13.926 1.00 40.00 O ATOM 359 ND2 ASN B 3 1.512 3.420 13.946 1.00 40.00 N ATOM 0 H ASN B 3 4.594 5.372 14.328 1.00 31.27 H new ATOM 0 HA ASN B 3 2.677 4.952 12.049 1.00 40.00 H new ATOM 0 HB2 ASN B 3 2.479 5.943 14.882 1.00 40.00 H new ATOM 0 HB3 ASN B 3 1.475 6.748 13.691 1.00 40.00 H new ATOM 0 HD21 ASN B 3 0.873 2.625 13.965 1.00 40.00 H new ATOM 0 HD22 ASN B 3 2.520 3.264 13.944 1.00 40.00 H new ATOM 366 N GLN B 4 2.600 7.721 11.796 1.00 30.13 N ATOM 367 CA GLN B 4 2.951 9.027 11.174 1.00 22.28 C ATOM 368 C GLN B 4 3.808 8.792 9.920 1.00 20.85 C ATOM 369 O GLN B 4 3.301 8.757 8.818 1.00 21.32 O ATOM 370 CB GLN B 4 3.705 9.898 12.188 1.00 24.26 C ATOM 371 CG GLN B 4 4.134 11.215 11.521 1.00 36.03 C ATOM 372 CD GLN B 4 3.663 12.418 12.350 1.00 40.00 C ATOM 373 OE1 GLN B 4 2.961 12.269 13.330 1.00 40.00 O ATOM 374 NE2 GLN B 4 4.030 13.618 11.989 1.00 40.00 N ATOM 0 H GLN B 4 1.600 7.531 11.861 1.00 30.13 H new ATOM 0 HA GLN B 4 2.039 9.546 10.879 1.00 22.28 H new ATOM 0 HB2 GLN B 4 3.069 10.105 13.048 1.00 24.26 H new ATOM 0 HB3 GLN B 4 4.580 9.365 12.560 1.00 24.26 H new ATOM 0 HG2 GLN B 4 5.219 11.240 11.417 1.00 36.03 H new ATOM 0 HG3 GLN B 4 3.716 11.273 10.516 1.00 36.03 H new ATOM 0 HE21 GLN B 4 4.619 13.745 11.166 1.00 40.00 H new ATOM 0 HE22 GLN B 4 3.727 14.428 12.530 1.00 40.00 H new ATOM 383 N HIS B 5 5.098 8.645 10.070 1.00 24.26 N ATOM 384 CA HIS B 5 5.965 8.429 8.874 1.00 26.85 C ATOM 385 C HIS B 5 5.466 7.227 8.070 1.00 29.57 C ATOM 386 O HIS B 5 5.755 7.093 6.902 1.00 40.00 O ATOM 387 CB HIS B 5 7.400 8.178 9.320 1.00 25.80 C ATOM 388 CG HIS B 5 8.324 8.447 8.167 1.00 30.70 C ATOM 389 ND1 HIS B 5 8.638 9.733 7.761 1.00 31.27 N ATOM 390 CD2 HIS B 5 9.005 7.609 7.324 1.00 40.00 C ATOM 391 CE1 HIS B 5 9.477 9.634 6.713 1.00 38.53 C ATOM 392 NE2 HIS B 5 9.734 8.360 6.405 1.00 40.00 N ATOM 0 H HIS B 5 5.587 8.665 10.965 1.00 24.26 H new ATOM 0 HA HIS B 5 5.926 9.319 8.246 1.00 26.85 H new ATOM 0 HB2 HIS B 5 7.651 8.823 10.162 1.00 25.80 H new ATOM 0 HB3 HIS B 5 7.514 7.149 9.662 1.00 25.80 H new ATOM 0 HD1 HIS B 5 8.296 10.598 8.180 1.00 31.27 H new ATOM 0 HD2 HIS B 5 8.980 6.530 7.366 1.00 40.00 H new ATOM 0 HE1 HIS B 5 9.891 10.481 6.186 1.00 38.53 H new ATOM 400 N LEU B 6 4.725 6.353 8.686 1.00 25.80 N ATOM 401 CA LEU B 6 4.203 5.161 7.957 1.00 30.13 C ATOM 402 C LEU B 6 2.673 5.253 7.852 1.00 25.80 C ATOM 403 O LEU B 6 2.060 4.680 6.974 1.00 27.92 O ATOM 404 CB LEU B 6 4.581 3.899 8.735 1.00 40.00 C ATOM 405 CG LEU B 6 5.442 2.990 7.858 1.00 40.00 C ATOM 406 CD1 LEU B 6 6.785 3.666 7.573 1.00 40.00 C ATOM 407 CD2 LEU B 6 5.682 1.667 8.591 1.00 40.00 C ATOM 0 H LEU B 6 4.455 6.411 9.668 1.00 25.80 H new ATOM 0 HA LEU B 6 4.633 5.124 6.956 1.00 30.13 H new ATOM 0 HB2 LEU B 6 5.125 4.168 9.640 1.00 40.00 H new ATOM 0 HB3 LEU B 6 3.681 3.371 9.049 1.00 40.00 H new ATOM 0 HG LEU B 6 4.929 2.802 6.915 1.00 40.00 H new ATOM 0 HD11 LEU B 6 7.395 3.014 6.948 1.00 40.00 H new ATOM 0 HD12 LEU B 6 6.615 4.610 7.055 1.00 40.00 H new ATOM 0 HD13 LEU B 6 7.303 3.856 8.513 1.00 40.00 H new ATOM 0 HD21 LEU B 6 6.296 1.014 7.971 1.00 40.00 H new ATOM 0 HD22 LEU B 6 6.195 1.861 9.533 1.00 40.00 H new ATOM 0 HD23 LEU B 6 4.726 1.184 8.792 1.00 40.00 H new ATOM 419 N CYS B 7 2.059 5.960 8.758 1.00 26.32 N ATOM 420 CA CYS B 7 0.579 6.105 8.761 1.00 24.76 C ATOM 421 C CYS B 7 0.143 7.152 7.734 1.00 17.70 C ATOM 422 O CYS B 7 -0.771 6.942 6.964 1.00 15.20 O ATOM 423 CB CYS B 7 0.201 6.591 10.151 1.00 33.61 C ATOM 424 SG CYS B 7 -1.584 6.594 10.386 1.00 23.75 S ATOM 0 H CYS B 7 2.533 6.454 9.514 1.00 26.32 H new ATOM 0 HA CYS B 7 0.098 5.160 8.510 1.00 24.76 H new ATOM 0 HB2 CYS B 7 0.667 5.951 10.900 1.00 33.61 H new ATOM 0 HB3 CYS B 7 0.591 7.597 10.304 1.00 33.61 H new ATOM 429 N GLY B 8 0.780 8.288 7.741 1.00 18.57 N ATOM 430 CA GLY B 8 0.407 9.375 6.795 1.00 15.60 C ATOM 431 C GLY B 8 0.397 8.869 5.354 1.00 14.80 C ATOM 432 O GLY B 8 -0.431 9.265 4.561 1.00 13.64 O ATOM 0 H GLY B 8 1.552 8.512 8.369 1.00 18.57 H new ATOM 0 HA2 GLY B 8 -0.577 9.765 7.054 1.00 15.60 H new ATOM 0 HA3 GLY B 8 1.112 10.201 6.889 1.00 15.60 H new ATOM 436 N SER B 9 1.315 8.012 4.997 1.00 19.47 N ATOM 437 CA SER B 9 1.358 7.503 3.591 1.00 23.75 C ATOM 438 C SER B 9 -0.011 6.972 3.166 1.00 21.79 C ATOM 439 O SER B 9 -0.337 6.958 1.996 1.00 32.43 O ATOM 440 CB SER B 9 2.370 6.363 3.484 1.00 30.70 C ATOM 441 OG SER B 9 2.424 5.668 4.723 1.00 40.00 O ATOM 0 H SER B 9 2.037 7.641 5.615 1.00 19.47 H new ATOM 0 HA SER B 9 1.646 8.330 2.941 1.00 23.75 H new ATOM 0 HB2 SER B 9 2.084 5.681 2.683 1.00 30.70 H new ATOM 0 HB3 SER B 9 3.354 6.757 3.231 1.00 30.70 H new ATOM 0 HG SER B 9 3.140 6.043 5.278 1.00 40.00 H new ATOM 447 N HIS B 10 -0.800 6.513 4.095 1.00 15.20 N ATOM 448 CA HIS B 10 -2.128 5.960 3.717 1.00 15.60 C ATOM 449 C HIS B 10 -3.237 6.966 4.012 1.00 10.78 C ATOM 450 O HIS B 10 -4.316 6.876 3.457 1.00 10.78 O ATOM 451 CB HIS B 10 -2.349 4.659 4.476 1.00 20.85 C ATOM 452 CG HIS B 10 -1.233 3.724 4.106 1.00 31.85 C ATOM 453 ND1 HIS B 10 -0.778 3.608 2.800 1.00 40.00 N ATOM 454 CD2 HIS B 10 -0.444 2.884 4.853 1.00 37.90 C ATOM 455 CE1 HIS B 10 0.241 2.731 2.800 1.00 40.00 C ATOM 456 NE2 HIS B 10 0.486 2.258 4.026 1.00 40.00 N ATOM 0 H HIS B 10 -0.585 6.497 5.092 1.00 15.20 H new ATOM 0 HA HIS B 10 -2.152 5.760 2.646 1.00 15.60 H new ATOM 0 HB2 HIS B 10 -2.357 4.839 5.551 1.00 20.85 H new ATOM 0 HB3 HIS B 10 -3.315 4.224 4.218 1.00 20.85 H new ATOM 0 HD1 HIS B 10 -1.150 4.099 1.987 1.00 40.00 H new ATOM 0 HD2 HIS B 10 -0.531 2.732 5.919 1.00 37.90 H new ATOM 0 HE1 HIS B 10 0.794 2.444 1.918 1.00 40.00 H new ATOM 464 N LEU B 11 -2.983 7.942 4.843 1.00 9.47 N ATOM 465 CA LEU B 11 -4.035 8.963 5.109 1.00 7.67 C ATOM 466 C LEU B 11 -4.196 9.776 3.831 1.00 6.32 C ATOM 467 O LEU B 11 -5.278 10.174 3.458 1.00 6.32 O ATOM 468 CB LEU B 11 -3.607 9.899 6.244 1.00 8.55 C ATOM 469 CG LEU B 11 -3.164 9.093 7.460 1.00 7.96 C ATOM 470 CD1 LEU B 11 -2.721 10.051 8.563 1.00 10.78 C ATOM 471 CD2 LEU B 11 -4.328 8.245 7.966 1.00 8.85 C ATOM 0 H LEU B 11 -2.104 8.075 5.343 1.00 9.47 H new ATOM 0 HA LEU B 11 -4.966 8.477 5.402 1.00 7.67 H new ATOM 0 HB2 LEU B 11 -2.792 10.539 5.908 1.00 8.55 H new ATOM 0 HB3 LEU B 11 -4.435 10.554 6.516 1.00 8.55 H new ATOM 0 HG LEU B 11 -2.336 8.441 7.182 1.00 7.96 H new ATOM 0 HD11 LEU B 11 -2.403 9.480 9.435 1.00 10.78 H new ATOM 0 HD12 LEU B 11 -1.890 10.659 8.205 1.00 10.78 H new ATOM 0 HD13 LEU B 11 -3.553 10.699 8.838 1.00 10.78 H new ATOM 0 HD21 LEU B 11 -4.008 7.670 8.835 1.00 8.85 H new ATOM 0 HD22 LEU B 11 -5.157 8.895 8.246 1.00 8.85 H new ATOM 0 HD23 LEU B 11 -4.651 7.564 7.179 1.00 8.85 H new ATOM 483 N VAL B 12 -3.103 10.018 3.161 1.00 7.67 N ATOM 484 CA VAL B 12 -3.141 10.802 1.898 1.00 9.16 C ATOM 485 C VAL B 12 -3.905 10.023 0.827 1.00 9.47 C ATOM 486 O VAL B 12 -4.597 10.593 0.009 1.00 10.12 O ATOM 487 CB VAL B 12 -1.717 11.069 1.411 1.00 16.01 C ATOM 488 CG1 VAL B 12 -0.964 11.881 2.465 1.00 24.76 C ATOM 489 CG2 VAL B 12 -0.991 9.741 1.170 1.00 32.43 C ATOM 0 H VAL B 12 -2.175 9.701 3.440 1.00 7.67 H new ATOM 0 HA VAL B 12 -3.644 11.751 2.085 1.00 9.16 H new ATOM 0 HB VAL B 12 -1.755 11.629 0.477 1.00 16.01 H new ATOM 0 HG11 VAL B 12 0.052 12.072 2.119 1.00 24.76 H new ATOM 0 HG12 VAL B 12 -1.476 12.829 2.628 1.00 24.76 H new ATOM 0 HG13 VAL B 12 -0.930 11.321 3.400 1.00 24.76 H new ATOM 0 HG21 VAL B 12 0.023 9.939 0.823 1.00 32.43 H new ATOM 0 HG22 VAL B 12 -0.952 9.173 2.100 1.00 32.43 H new ATOM 0 HG23 VAL B 12 -1.527 9.165 0.415 1.00 32.43 H new ATOM 499 N GLU B 13 -3.790 8.726 0.824 1.00 11.12 N ATOM 500 CA GLU B 13 -4.515 7.917 -0.194 1.00 14.03 C ATOM 501 C GLU B 13 -6.009 8.214 -0.099 1.00 13.27 C ATOM 502 O GLU B 13 -6.685 8.366 -1.091 1.00 17.70 O ATOM 503 CB GLU B 13 -4.281 6.432 0.071 1.00 19.47 C ATOM 504 CG GLU B 13 -2.810 6.095 -0.168 1.00 40.00 C ATOM 505 CD GLU B 13 -2.668 4.591 -0.410 1.00 40.00 C ATOM 506 OE1 GLU B 13 -3.119 4.133 -1.448 1.00 40.00 O ATOM 507 OE2 GLU B 13 -2.111 3.923 0.447 1.00 40.00 O ATOM 0 H GLU B 13 -3.225 8.190 1.483 1.00 11.12 H new ATOM 0 HA GLU B 13 -4.149 8.171 -1.189 1.00 14.03 H new ATOM 0 HB2 GLU B 13 -4.559 6.187 1.096 1.00 19.47 H new ATOM 0 HB3 GLU B 13 -4.913 5.831 -0.583 1.00 19.47 H new ATOM 0 HG2 GLU B 13 -2.433 6.650 -1.027 1.00 40.00 H new ATOM 0 HG3 GLU B 13 -2.212 6.394 0.693 1.00 40.00 H new ATOM 514 N ALA B 14 -6.528 8.303 1.090 1.00 10.78 N ATOM 515 CA ALA B 14 -7.975 8.598 1.245 1.00 11.81 C ATOM 516 C ALA B 14 -8.210 10.093 1.039 1.00 9.47 C ATOM 517 O ALA B 14 -9.259 10.512 0.596 1.00 11.12 O ATOM 518 CB ALA B 14 -8.424 8.203 2.654 1.00 12.90 C ATOM 0 H ALA B 14 -6.012 8.184 1.962 1.00 10.78 H new ATOM 0 HA ALA B 14 -8.546 8.033 0.508 1.00 11.81 H new ATOM 0 HB1 ALA B 14 -9.486 8.418 2.771 1.00 12.90 H new ATOM 0 HB2 ALA B 14 -8.251 7.138 2.806 1.00 12.90 H new ATOM 0 HB3 ALA B 14 -7.855 8.771 3.390 1.00 12.90 H new ATOM 524 N LEU B 15 -7.239 10.902 1.363 1.00 8.25 N ATOM 525 CA LEU B 15 -7.404 12.372 1.198 1.00 9.79 C ATOM 526 C LEU B 15 -7.728 12.704 -0.254 1.00 11.46 C ATOM 527 O LEU B 15 -8.791 13.210 -0.552 1.00 14.03 O ATOM 528 CB LEU B 15 -6.112 13.087 1.576 1.00 10.12 C ATOM 529 CG LEU B 15 -6.102 13.387 3.072 1.00 10.12 C ATOM 530 CD1 LEU B 15 -4.736 13.946 3.467 1.00 11.12 C ATOM 531 CD2 LEU B 15 -7.176 14.425 3.388 1.00 16.01 C ATOM 0 H LEU B 15 -6.337 10.607 1.736 1.00 8.25 H new ATOM 0 HA LEU B 15 -8.217 12.700 1.845 1.00 9.79 H new ATOM 0 HB2 LEU B 15 -5.254 12.468 1.315 1.00 10.12 H new ATOM 0 HB3 LEU B 15 -6.020 14.014 1.010 1.00 10.12 H new ATOM 0 HG LEU B 15 -6.301 12.471 3.628 1.00 10.12 H new ATOM 0 HD11 LEU B 15 -4.726 14.161 4.535 1.00 11.12 H new ATOM 0 HD12 LEU B 15 -3.963 13.213 3.237 1.00 11.12 H new ATOM 0 HD13 LEU B 15 -4.543 14.863 2.910 1.00 11.12 H new ATOM 0 HD21 LEU B 15 -7.170 14.641 4.456 1.00 16.01 H new ATOM 0 HD22 LEU B 15 -6.972 15.340 2.832 1.00 16.01 H new ATOM 0 HD23 LEU B 15 -8.153 14.036 3.101 1.00 16.01 H new ATOM 543 N TYR B 16 -6.816 12.455 -1.163 1.00 16.01 N ATOM 544 CA TYR B 16 -7.098 12.800 -2.584 1.00 25.80 C ATOM 545 C TYR B 16 -8.193 11.893 -3.155 1.00 19.92 C ATOM 546 O TYR B 16 -8.746 12.177 -4.201 1.00 21.79 O ATOM 547 CB TYR B 16 -5.807 12.776 -3.426 1.00 40.00 C ATOM 548 CG TYR B 16 -5.401 11.388 -3.858 1.00 18.57 C ATOM 549 CD1 TYR B 16 -5.596 10.244 -2.983 1.00 40.00 C ATOM 550 CD2 TYR B 16 -4.783 11.211 -5.162 1.00 40.00 C ATOM 551 CE1 TYR B 16 -5.172 8.918 -3.417 1.00 40.00 C ATOM 552 CE2 TYR B 16 -4.364 9.892 -5.596 1.00 40.00 C ATOM 553 CZ TYR B 16 -4.556 8.744 -4.725 1.00 40.00 C ATOM 554 OH TYR B 16 -4.154 7.493 -5.140 1.00 40.00 O ATOM 0 H TYR B 16 -5.904 12.035 -0.983 1.00 16.01 H new ATOM 0 HA TYR B 16 -7.478 13.821 -2.627 1.00 25.80 H new ATOM 0 HB2 TYR B 16 -5.947 13.398 -4.310 1.00 40.00 H new ATOM 0 HB3 TYR B 16 -4.997 13.221 -2.848 1.00 40.00 H new ATOM 0 HD1 TYR B 16 -6.054 10.376 -2.014 1.00 40.00 H new ATOM 0 HD2 TYR B 16 -4.636 12.063 -5.809 1.00 40.00 H new ATOM 0 HE1 TYR B 16 -5.315 8.066 -2.769 1.00 40.00 H new ATOM 0 HE2 TYR B 16 -3.909 9.763 -6.567 1.00 40.00 H new ATOM 0 HH TYR B 16 -4.890 7.053 -5.614 1.00 40.00 H new ATOM 564 N LEU B 17 -8.558 10.842 -2.464 1.00 17.27 N ATOM 565 CA LEU B 17 -9.665 9.987 -2.967 1.00 15.60 C ATOM 566 C LEU B 17 -10.959 10.758 -2.722 1.00 11.81 C ATOM 567 O LEU B 17 -11.850 10.791 -3.543 1.00 12.53 O ATOM 568 CB LEU B 17 -9.705 8.671 -2.194 1.00 20.85 C ATOM 569 CG LEU B 17 -10.356 7.595 -3.058 1.00 19.92 C ATOM 570 CD1 LEU B 17 -9.274 6.841 -3.830 1.00 40.00 C ATOM 571 CD2 LEU B 17 -11.113 6.616 -2.162 1.00 40.00 C ATOM 0 H LEU B 17 -8.139 10.545 -1.583 1.00 17.27 H new ATOM 0 HA LEU B 17 -9.529 9.757 -4.024 1.00 15.60 H new ATOM 0 HB2 LEU B 17 -8.695 8.369 -1.917 1.00 20.85 H new ATOM 0 HB3 LEU B 17 -10.265 8.798 -1.268 1.00 20.85 H new ATOM 0 HG LEU B 17 -11.049 8.060 -3.760 1.00 19.92 H new ATOM 0 HD11 LEU B 17 -9.737 6.072 -4.448 1.00 40.00 H new ATOM 0 HD12 LEU B 17 -8.728 7.538 -4.466 1.00 40.00 H new ATOM 0 HD13 LEU B 17 -8.584 6.375 -3.127 1.00 40.00 H new ATOM 0 HD21 LEU B 17 -11.579 5.846 -2.777 1.00 40.00 H new ATOM 0 HD22 LEU B 17 -10.418 6.151 -1.463 1.00 40.00 H new ATOM 0 HD23 LEU B 17 -11.883 7.152 -1.606 1.00 40.00 H new ATOM 583 N VAL B 18 -11.040 11.403 -1.590 1.00 11.12 N ATOM 584 CA VAL B 18 -12.243 12.207 -1.259 1.00 11.12 C ATOM 585 C VAL B 18 -12.227 13.475 -2.105 1.00 11.81 C ATOM 586 O VAL B 18 -13.251 13.962 -2.535 1.00 16.01 O ATOM 587 CB VAL B 18 -12.203 12.586 0.222 1.00 12.17 C ATOM 588 CG1 VAL B 18 -13.429 13.432 0.565 1.00 14.80 C ATOM 589 CG2 VAL B 18 -12.206 11.316 1.075 1.00 14.03 C ATOM 0 H VAL B 18 -10.313 11.405 -0.874 1.00 11.12 H new ATOM 0 HA VAL B 18 -13.147 11.633 -1.462 1.00 11.12 H new ATOM 0 HB VAL B 18 -11.298 13.158 0.425 1.00 12.17 H new ATOM 0 HG11 VAL B 18 -13.401 13.702 1.621 1.00 14.80 H new ATOM 0 HG12 VAL B 18 -13.427 14.338 -0.042 1.00 14.80 H new ATOM 0 HG13 VAL B 18 -14.334 12.860 0.361 1.00 14.80 H new ATOM 0 HG21 VAL B 18 -12.177 11.587 2.130 1.00 14.03 H new ATOM 0 HG22 VAL B 18 -13.111 10.743 0.872 1.00 14.03 H new ATOM 0 HG23 VAL B 18 -11.332 10.712 0.832 1.00 14.03 H new ATOM 599 N CYS B 19 -11.063 14.011 -2.349 1.00 11.12 N ATOM 600 CA CYS B 19 -10.968 15.246 -3.173 1.00 15.20 C ATOM 601 C CYS B 19 -11.175 14.887 -4.642 1.00 22.76 C ATOM 602 O CYS B 19 -11.638 15.687 -5.429 1.00 40.00 O ATOM 603 CB CYS B 19 -9.586 15.868 -2.998 1.00 14.41 C ATOM 604 SG CYS B 19 -9.452 16.574 -1.342 1.00 24.76 S ATOM 0 H CYS B 19 -10.172 13.645 -2.012 1.00 11.12 H new ATOM 0 HA CYS B 19 -11.731 15.957 -2.856 1.00 15.20 H new ATOM 0 HB2 CYS B 19 -8.814 15.113 -3.147 1.00 14.41 H new ATOM 0 HB3 CYS B 19 -9.425 16.641 -3.749 1.00 14.41 H new ATOM 609 N GLY B 20 -10.832 13.689 -5.017 1.00 20.38 N ATOM 610 CA GLY B 20 -11.008 13.277 -6.435 1.00 29.02 C ATOM 611 C GLY B 20 -9.916 13.914 -7.291 1.00 30.70 C ATOM 612 O GLY B 20 -8.764 13.536 -7.230 1.00 40.00 O ATOM 0 H GLY B 20 -10.437 12.977 -4.403 1.00 20.38 H new ATOM 0 HA2 GLY B 20 -10.962 12.191 -6.517 1.00 29.02 H new ATOM 0 HA3 GLY B 20 -11.991 13.583 -6.794 1.00 29.02 H new ATOM 616 N GLU B 21 -10.271 14.877 -8.093 1.00 33.61 N ATOM 617 CA GLU B 21 -9.255 15.538 -8.958 1.00 40.00 C ATOM 618 C GLU B 21 -8.607 16.696 -8.200 1.00 34.20 C ATOM 619 O GLU B 21 -7.516 17.124 -8.520 1.00 40.00 O ATOM 620 CB GLU B 21 -9.935 16.078 -10.217 1.00 40.00 C ATOM 621 CG GLU B 21 -10.244 14.918 -11.169 1.00 40.00 C ATOM 622 CD GLU B 21 -11.492 15.249 -11.991 1.00 40.00 C ATOM 623 OE1 GLU B 21 -12.582 15.154 -11.445 1.00 40.00 O ATOM 624 OE2 GLU B 21 -11.338 15.594 -13.153 1.00 40.00 O ATOM 0 H GLU B 21 -11.221 15.236 -8.187 1.00 33.61 H new ATOM 0 HA GLU B 21 -8.490 14.812 -9.234 1.00 40.00 H new ATOM 0 HB2 GLU B 21 -10.855 16.599 -9.951 1.00 40.00 H new ATOM 0 HB3 GLU B 21 -9.288 16.804 -10.709 1.00 40.00 H new ATOM 0 HG2 GLU B 21 -9.396 14.741 -11.831 1.00 40.00 H new ATOM 0 HG3 GLU B 21 -10.402 14.001 -10.602 1.00 40.00 H new ATOM 631 N ARG B 22 -9.269 17.215 -7.203 1.00 25.80 N ATOM 632 CA ARG B 22 -8.686 18.348 -6.437 1.00 24.76 C ATOM 633 C ARG B 22 -7.375 17.912 -5.784 1.00 29.57 C ATOM 634 O ARG B 22 -7.003 16.755 -5.819 1.00 40.00 O ATOM 635 CB ARG B 22 -9.674 18.789 -5.358 1.00 24.26 C ATOM 636 CG ARG B 22 -10.473 19.987 -5.867 1.00 36.65 C ATOM 637 CD ARG B 22 -11.203 20.644 -4.699 1.00 40.00 C ATOM 638 NE ARG B 22 -12.280 19.736 -4.219 1.00 40.00 N ATOM 639 CZ ARG B 22 -13.171 20.171 -3.367 1.00 40.00 C ATOM 640 NH1 ARG B 22 -12.859 21.117 -2.518 1.00 40.00 N ATOM 641 NH2 ARG B 22 -14.371 19.656 -3.359 1.00 40.00 N ATOM 0 H ARG B 22 -10.187 16.903 -6.887 1.00 25.80 H new ATOM 0 HA ARG B 22 -8.488 19.179 -7.114 1.00 24.76 H new ATOM 0 HB2 ARG B 22 -10.346 17.969 -5.107 1.00 24.26 H new ATOM 0 HB3 ARG B 22 -9.140 19.054 -4.446 1.00 24.26 H new ATOM 0 HG2 ARG B 22 -9.807 20.706 -6.344 1.00 36.65 H new ATOM 0 HG3 ARG B 22 -11.189 19.665 -6.623 1.00 36.65 H new ATOM 0 HD2 ARG B 22 -10.503 20.856 -3.891 1.00 40.00 H new ATOM 0 HD3 ARG B 22 -11.628 21.598 -5.011 1.00 40.00 H new ATOM 0 HE ARG B 22 -12.323 18.774 -4.555 1.00 40.00 H new ATOM 0 HH11 ARG B 22 -11.920 21.515 -2.521 1.00 40.00 H new ATOM 0 HH12 ARG B 22 -13.555 21.456 -1.854 1.00 40.00 H new ATOM 0 HH21 ARG B 22 -14.612 18.915 -4.017 1.00 40.00 H new ATOM 0 HH22 ARG B 22 -15.067 19.995 -2.695 1.00 40.00 H new ATOM 655 N GLY B 23 -6.672 18.832 -5.184 1.00 24.26 N ATOM 656 CA GLY B 23 -5.385 18.475 -4.524 1.00 23.26 C ATOM 657 C GLY B 23 -5.483 18.776 -3.031 1.00 23.26 C ATOM 658 O GLY B 23 -6.524 19.154 -2.535 1.00 28.47 O ATOM 0 H GLY B 23 -6.933 19.816 -5.122 1.00 24.26 H new ATOM 0 HA2 GLY B 23 -5.164 17.419 -4.680 1.00 23.26 H new ATOM 0 HA3 GLY B 23 -4.566 19.041 -4.968 1.00 23.26 H new ATOM 662 N PHE B 24 -4.409 18.619 -2.308 1.00 20.85 N ATOM 663 CA PHE B 24 -4.456 18.905 -0.848 1.00 21.32 C ATOM 664 C PHE B 24 -3.039 19.138 -0.320 1.00 17.27 C ATOM 665 O PHE B 24 -2.067 18.722 -0.915 1.00 20.38 O ATOM 666 CB PHE B 24 -5.094 17.714 -0.118 1.00 23.75 C ATOM 667 CG PHE B 24 -4.245 16.475 -0.302 1.00 22.28 C ATOM 668 CD1 PHE B 24 -4.181 15.823 -1.598 1.00 40.00 C ATOM 669 CD2 PHE B 24 -3.489 15.944 0.819 1.00 40.00 C ATOM 670 CE1 PHE B 24 -3.359 14.635 -1.773 1.00 40.00 C ATOM 671 CE2 PHE B 24 -2.668 14.755 0.643 1.00 40.00 C ATOM 672 CZ PHE B 24 -2.603 14.101 -0.654 1.00 21.79 C ATOM 0 H PHE B 24 -3.505 18.307 -2.663 1.00 20.85 H new ATOM 0 HA PHE B 24 -5.052 19.801 -0.672 1.00 21.32 H new ATOM 0 HB2 PHE B 24 -5.196 17.940 0.943 1.00 23.75 H new ATOM 0 HB3 PHE B 24 -6.098 17.537 -0.504 1.00 23.75 H new ATOM 0 HD1 PHE B 24 -4.743 16.219 -2.431 1.00 40.00 H new ATOM 0 HD2 PHE B 24 -3.536 16.431 1.782 1.00 40.00 H new ATOM 0 HE1 PHE B 24 -3.311 14.150 -2.737 1.00 40.00 H new ATOM 0 HE2 PHE B 24 -2.107 14.358 1.476 1.00 40.00 H new ATOM 0 HZ PHE B 24 -1.993 13.219 -0.785 1.00 21.79 H new ATOM 682 N PHE B 25 -2.920 19.777 0.805 1.00 14.41 N ATOM 683 CA PHE B 25 -1.570 20.015 1.384 1.00 12.53 C ATOM 684 C PHE B 25 -1.379 19.073 2.570 1.00 10.12 C ATOM 685 O PHE B 25 -2.169 19.051 3.489 1.00 12.53 O ATOM 686 CB PHE B 25 -1.422 21.473 1.847 1.00 15.20 C ATOM 687 CG PHE B 25 -2.686 21.942 2.527 1.00 33.61 C ATOM 688 CD1 PHE B 25 -3.740 22.561 1.740 1.00 40.00 C ATOM 689 CD2 PHE B 25 -2.851 21.770 3.960 1.00 40.00 C ATOM 690 CE1 PHE B 25 -4.962 23.009 2.389 1.00 40.00 C ATOM 691 CE2 PHE B 25 -4.073 22.220 4.610 1.00 40.00 C ATOM 692 CZ PHE B 25 -5.129 22.839 3.824 1.00 40.00 C ATOM 0 H PHE B 25 -3.699 20.146 1.351 1.00 14.41 H new ATOM 0 HA PHE B 25 -0.813 19.825 0.623 1.00 12.53 H new ATOM 0 HB2 PHE B 25 -0.579 21.559 2.533 1.00 15.20 H new ATOM 0 HB3 PHE B 25 -1.203 22.112 0.992 1.00 15.20 H new ATOM 0 HD1 PHE B 25 -3.616 22.688 0.675 1.00 40.00 H new ATOM 0 HD2 PHE B 25 -2.067 21.309 4.543 1.00 40.00 H new ATOM 0 HE1 PHE B 25 -5.746 23.468 1.805 1.00 40.00 H new ATOM 0 HE2 PHE B 25 -4.196 22.094 5.676 1.00 40.00 H new ATOM 0 HZ PHE B 25 -6.036 23.172 4.306 1.00 40.00 H new ATOM 702 N TYR B 26 -0.344 18.281 2.548 1.00 10.78 N ATOM 703 CA TYR B 26 -0.112 17.328 3.667 1.00 10.78 C ATOM 704 C TYR B 26 1.147 17.725 4.437 1.00 10.12 C ATOM 705 O TYR B 26 2.241 17.700 3.910 1.00 11.12 O ATOM 706 CB TYR B 26 0.068 15.921 3.099 1.00 11.46 C ATOM 707 CG TYR B 26 0.099 14.920 4.226 1.00 14.41 C ATOM 708 CD1 TYR B 26 -1.145 14.424 4.791 1.00 40.00 C ATOM 709 CD2 TYR B 26 1.373 14.448 4.746 1.00 40.00 C ATOM 710 CE1 TYR B 26 -1.117 13.459 5.878 1.00 40.00 C ATOM 711 CE2 TYR B 26 1.401 13.481 5.834 1.00 40.00 C ATOM 712 CZ TYR B 26 0.155 12.987 6.399 1.00 28.47 C ATOM 713 OH TYR B 26 0.178 12.072 7.433 1.00 39.82 O ATOM 0 H TYR B 26 0.352 18.253 1.803 1.00 10.78 H new ATOM 0 HA TYR B 26 -0.968 17.350 4.342 1.00 10.78 H new ATOM 0 HB2 TYR B 26 -0.747 15.687 2.414 1.00 11.46 H new ATOM 0 HB3 TYR B 26 0.993 15.866 2.524 1.00 11.46 H new ATOM 0 HD1 TYR B 26 -2.091 14.773 4.403 1.00 40.00 H new ATOM 0 HD2 TYR B 26 2.298 14.815 4.325 1.00 40.00 H new ATOM 0 HE1 TYR B 26 -2.042 13.093 6.299 1.00 40.00 H new ATOM 0 HE2 TYR B 26 2.346 13.131 6.221 1.00 40.00 H new ATOM 0 HH TYR B 26 1.068 12.064 7.843 1.00 39.82 H new ATOM 723 N THR B 27 1.003 18.080 5.684 1.00 14.41 N ATOM 724 CA THR B 27 2.193 18.463 6.492 1.00 16.43 C ATOM 725 C THR B 27 2.246 17.590 7.762 1.00 25.28 C ATOM 726 O THR B 27 1.578 17.899 8.727 1.00 35.41 O ATOM 727 CB THR B 27 2.096 19.936 6.889 1.00 23.26 C ATOM 728 OG1 THR B 27 0.747 20.249 7.207 1.00 40.00 O ATOM 729 CG2 THR B 27 2.565 20.811 5.726 1.00 24.76 C ATOM 0 H THR B 27 0.112 18.121 6.178 1.00 14.41 H new ATOM 0 HA THR B 27 3.097 18.310 5.902 1.00 16.43 H new ATOM 0 HB THR B 27 2.728 20.123 7.758 1.00 23.26 H new ATOM 0 HG1 THR B 27 0.402 19.594 7.849 1.00 40.00 H new ATOM 0 HG21 THR B 27 2.496 21.861 6.010 1.00 24.76 H new ATOM 0 HG22 THR B 27 3.599 20.569 5.482 1.00 24.76 H new ATOM 0 HG23 THR B 27 1.935 20.628 4.856 1.00 24.76 H new ATOM 737 N PRO B 28 3.034 16.517 7.746 1.00 30.13 N ATOM 738 CA PRO B 28 3.142 15.627 8.914 1.00 40.00 C ATOM 739 C PRO B 28 4.088 16.240 9.945 1.00 40.00 C ATOM 740 O PRO B 28 5.105 15.672 10.284 1.00 40.00 O ATOM 741 CB PRO B 28 3.733 14.336 8.342 1.00 40.00 C ATOM 742 CG PRO B 28 4.457 14.726 7.034 1.00 40.00 C ATOM 743 CD PRO B 28 3.879 16.085 6.597 1.00 30.13 C ATOM 0 HA PRO B 28 2.189 15.461 9.417 1.00 40.00 H new ATOM 0 HB2 PRO B 28 4.427 13.881 9.049 1.00 40.00 H new ATOM 0 HB3 PRO B 28 2.950 13.603 8.148 1.00 40.00 H new ATOM 0 HG2 PRO B 28 5.533 14.796 7.193 1.00 40.00 H new ATOM 0 HG3 PRO B 28 4.297 13.972 6.264 1.00 40.00 H new ATOM 0 HD2 PRO B 28 4.671 16.806 6.393 1.00 30.13 H new ATOM 0 HD3 PRO B 28 3.290 15.991 5.684 1.00 30.13 H new ATOM 751 N LYS B 29 3.762 17.399 10.440 1.00 40.00 N ATOM 752 CA LYS B 29 4.645 18.050 11.443 1.00 40.00 C ATOM 753 C LYS B 29 3.813 18.981 12.321 1.00 40.00 C ATOM 754 O LYS B 29 3.401 20.046 11.899 1.00 40.00 O ATOM 755 CB LYS B 29 5.722 18.861 10.720 1.00 40.00 C ATOM 756 CG LYS B 29 6.702 19.436 11.744 1.00 40.00 C ATOM 757 CD LYS B 29 7.534 20.542 11.092 1.00 40.00 C ATOM 758 CE LYS B 29 7.700 21.705 12.073 1.00 40.00 C ATOM 759 NZ LYS B 29 7.325 22.981 11.398 1.00 40.00 N ATOM 0 H LYS B 29 2.923 17.923 10.193 1.00 40.00 H new ATOM 0 HA LYS B 29 5.117 17.288 12.064 1.00 40.00 H new ATOM 0 HB2 LYS B 29 6.253 18.228 10.009 1.00 40.00 H new ATOM 0 HB3 LYS B 29 5.263 19.667 10.148 1.00 40.00 H new ATOM 0 HG2 LYS B 29 6.157 19.833 12.600 1.00 40.00 H new ATOM 0 HG3 LYS B 29 7.355 18.648 12.119 1.00 40.00 H new ATOM 0 HD2 LYS B 29 8.511 20.154 10.803 1.00 40.00 H new ATOM 0 HD3 LYS B 29 7.047 20.888 10.181 1.00 40.00 H new ATOM 0 HE2 LYS B 29 7.073 21.547 12.950 1.00 40.00 H new ATOM 0 HE3 LYS B 29 8.731 21.755 12.423 1.00 40.00 H new ATOM 0 HZ1 LYS B 29 7.437 23.772 12.064 1.00 40.00 H new ATOM 0 HZ2 LYS B 29 7.941 23.132 10.574 1.00 40.00 H new ATOM 0 HZ3 LYS B 29 6.335 22.930 11.085 1.00 40.00 H new ATOM 773 N THR B 30 3.561 18.589 13.540 1.00 40.00 N ATOM 774 CA THR B 30 2.755 19.452 14.450 1.00 40.00 C ATOM 775 C THR B 30 3.401 20.838 14.543 1.00 40.00 C ATOM 776 O THR B 30 4.492 20.928 15.088 1.00 40.00 O ATOM 777 CB THR B 30 2.700 18.822 15.850 1.00 40.00 C ATOM 778 OG1 THR B 30 3.300 17.530 15.822 1.00 40.00 O ATOM 779 CG2 THR B 30 1.240 18.703 16.297 1.00 40.00 C ATOM 780 OXT THR B 30 2.794 21.786 14.067 1.00 40.00 O ATOM 0 H THR B 30 3.878 17.708 13.945 1.00 40.00 H new ATOM 0 HA THR B 30 1.743 19.544 14.055 1.00 40.00 H new ATOM 0 HB THR B 30 3.245 19.453 16.552 1.00 40.00 H new ATOM 0 HG1 THR B 30 3.264 17.133 16.717 1.00 40.00 H new ATOM 0 HG21 THR B 30 1.199 18.256 17.290 1.00 40.00 H new ATOM 0 HG22 THR B 30 0.786 19.694 16.326 1.00 40.00 H new ATOM 0 HG23 THR B 30 0.694 18.074 15.593 1.00 40.00 H new TER 788 THR B 30 ATOM 789 N GLY C 1 2.845 18.253 -14.442 1.00 40.00 N ATOM 790 CA GLY C 1 3.174 18.950 -13.164 1.00 40.00 C ATOM 791 C GLY C 1 3.990 18.014 -12.270 1.00 40.00 C ATOM 792 O GLY C 1 5.204 18.071 -12.235 1.00 40.00 O ATOM 0 H1 GLY C 1 2.290 18.888 -15.051 1.00 40.00 H new ATOM 0 H2 GLY C 1 3.725 17.987 -14.929 1.00 40.00 H new ATOM 0 H3 GLY C 1 2.290 17.397 -14.238 1.00 40.00 H new ATOM 0 HA2 GLY C 1 3.739 19.860 -13.368 1.00 40.00 H new ATOM 0 HA3 GLY C 1 2.258 19.251 -12.655 1.00 40.00 H new ATOM 798 N ILE C 2 3.332 17.151 -11.546 1.00 34.20 N ATOM 799 CA ILE C 2 4.069 16.212 -10.655 1.00 25.80 C ATOM 800 C ILE C 2 3.585 14.788 -10.919 1.00 21.32 C ATOM 801 O ILE C 2 4.362 13.858 -10.982 1.00 23.26 O ATOM 802 CB ILE C 2 3.795 16.579 -9.196 1.00 27.38 C ATOM 803 CG1 ILE C 2 4.528 15.602 -8.274 1.00 27.38 C ATOM 804 CG2 ILE C 2 2.292 16.500 -8.928 1.00 32.43 C ATOM 805 CD1 ILE C 2 4.320 16.024 -6.817 1.00 34.81 C ATOM 0 H ILE C 2 2.317 17.056 -11.533 1.00 34.20 H new ATOM 0 HA ILE C 2 5.139 16.279 -10.853 1.00 25.80 H new ATOM 0 HB ILE C 2 4.149 17.592 -9.004 1.00 27.38 H new ATOM 0 HG12 ILE C 2 4.154 14.590 -8.428 1.00 27.38 H new ATOM 0 HG13 ILE C 2 5.592 15.589 -8.512 1.00 27.38 H new ATOM 0 HG21 ILE C 2 2.094 16.761 -7.889 1.00 32.43 H new ATOM 0 HG22 ILE C 2 1.768 17.196 -9.583 1.00 32.43 H new ATOM 0 HG23 ILE C 2 1.941 15.486 -9.121 1.00 32.43 H new ATOM 0 HD11 ILE C 2 4.842 15.329 -6.159 1.00 34.81 H new ATOM 0 HD12 ILE C 2 4.715 17.029 -6.669 1.00 34.81 H new ATOM 0 HD13 ILE C 2 3.255 16.015 -6.584 1.00 34.81 H new ATOM 817 N VAL C 3 2.303 14.612 -11.068 1.00 24.76 N ATOM 818 CA VAL C 3 1.763 13.250 -11.324 1.00 29.57 C ATOM 819 C VAL C 3 2.279 12.741 -12.667 1.00 33.01 C ATOM 820 O VAL C 3 2.923 11.714 -12.753 1.00 40.00 O ATOM 821 CB VAL C 3 0.239 13.308 -11.365 1.00 40.00 C ATOM 822 CG1 VAL C 3 -0.321 11.888 -11.456 1.00 40.00 C ATOM 823 CG2 VAL C 3 -0.278 13.983 -10.094 1.00 40.00 C ATOM 0 H VAL C 3 1.605 15.354 -11.023 1.00 24.76 H new ATOM 0 HA VAL C 3 2.085 12.578 -10.528 1.00 29.57 H new ATOM 0 HB VAL C 3 -0.082 13.880 -12.235 1.00 40.00 H new ATOM 0 HG11 VAL C 3 -1.410 11.927 -11.485 1.00 40.00 H new ATOM 0 HG12 VAL C 3 0.049 11.408 -12.362 1.00 40.00 H new ATOM 0 HG13 VAL C 3 -0.002 11.315 -10.586 1.00 40.00 H new ATOM 0 HG21 VAL C 3 -1.367 14.025 -10.122 1.00 40.00 H new ATOM 0 HG22 VAL C 3 0.041 13.411 -9.223 1.00 40.00 H new ATOM 0 HG23 VAL C 3 0.123 14.995 -10.030 1.00 40.00 H new ATOM 833 N GLU C 4 1.989 13.450 -13.716 1.00 38.53 N ATOM 834 CA GLU C 4 2.449 13.017 -15.063 1.00 40.00 C ATOM 835 C GLU C 4 3.980 13.003 -15.126 1.00 39.17 C ATOM 836 O GLU C 4 4.564 12.413 -16.013 1.00 40.00 O ATOM 837 CB GLU C 4 1.910 13.999 -16.103 1.00 40.00 C ATOM 838 CG GLU C 4 2.200 13.470 -17.507 1.00 40.00 C ATOM 839 CD GLU C 4 1.681 14.472 -18.541 1.00 40.00 C ATOM 840 OE1 GLU C 4 1.654 15.655 -18.228 1.00 40.00 O ATOM 841 OE2 GLU C 4 1.317 14.042 -19.625 1.00 40.00 O ATOM 0 H GLU C 4 1.450 14.316 -13.701 1.00 38.53 H new ATOM 0 HA GLU C 4 2.082 12.010 -15.263 1.00 40.00 H new ATOM 0 HB2 GLU C 4 0.837 14.134 -15.969 1.00 40.00 H new ATOM 0 HB3 GLU C 4 2.373 14.977 -15.969 1.00 40.00 H new ATOM 0 HG2 GLU C 4 3.271 13.318 -17.637 1.00 40.00 H new ATOM 0 HG3 GLU C 4 1.721 12.501 -17.650 1.00 40.00 H new ATOM 848 N GLN C 5 4.640 13.657 -14.210 1.00 29.57 N ATOM 849 CA GLN C 5 6.127 13.686 -14.250 1.00 26.32 C ATOM 850 C GLN C 5 6.713 12.519 -13.451 1.00 19.02 C ATOM 851 O GLN C 5 7.705 11.937 -13.837 1.00 23.75 O ATOM 852 CB GLN C 5 6.612 15.001 -13.643 1.00 34.20 C ATOM 853 CG GLN C 5 8.137 15.070 -13.725 1.00 26.85 C ATOM 854 CD GLN C 5 8.635 16.256 -12.900 1.00 26.32 C ATOM 855 OE1 GLN C 5 9.635 16.091 -12.079 1.00 35.41 O flip ATOM 856 NE2 GLN C 5 8.106 17.345 -13.003 1.00 30.13 N flip ATOM 0 H GLN C 5 4.214 14.171 -13.438 1.00 29.57 H new ATOM 0 HA GLN C 5 6.455 13.599 -15.286 1.00 26.32 H new ATOM 0 HB2 GLN C 5 6.170 15.844 -14.175 1.00 34.20 H new ATOM 0 HB3 GLN C 5 6.290 15.075 -12.604 1.00 34.20 H new ATOM 0 HG2 GLN C 5 8.575 14.144 -13.352 1.00 26.85 H new ATOM 0 HG3 GLN C 5 8.452 15.177 -14.763 1.00 26.85 H new ATOM 0 HE21 GLN C 5 7.324 17.473 -13.645 1.00 30.13 H new ATOM 0 HE22 GLN C 5 8.444 18.131 -12.447 1.00 30.13 H new ATOM 865 N CYS C 6 6.133 12.188 -12.331 1.00 14.80 N ATOM 866 CA CYS C 6 6.698 11.081 -11.509 1.00 12.53 C ATOM 867 C CYS C 6 5.941 9.775 -11.745 1.00 13.64 C ATOM 868 O CYS C 6 6.438 8.712 -11.422 1.00 17.70 O ATOM 869 CB CYS C 6 6.623 11.459 -10.030 1.00 12.90 C ATOM 870 SG CYS C 6 7.454 13.047 -9.763 1.00 15.60 S ATOM 0 H CYS C 6 5.297 12.633 -11.951 1.00 14.80 H new ATOM 0 HA CYS C 6 7.736 10.929 -11.803 1.00 12.53 H new ATOM 0 HB2 CYS C 6 5.582 11.525 -9.714 1.00 12.90 H new ATOM 0 HB3 CYS C 6 7.092 10.685 -9.423 1.00 12.90 H new ATOM 875 N CYS C 7 4.762 9.826 -12.307 1.00 16.43 N ATOM 876 CA CYS C 7 4.020 8.556 -12.554 1.00 20.85 C ATOM 877 C CYS C 7 4.259 8.090 -13.995 1.00 22.28 C ATOM 878 O CYS C 7 3.488 7.342 -14.561 1.00 37.90 O ATOM 879 CB CYS C 7 2.526 8.747 -12.311 1.00 24.76 C ATOM 880 SG CYS C 7 1.731 7.121 -12.325 1.00 33.61 S ATOM 0 H CYS C 7 4.287 10.679 -12.602 1.00 16.43 H new ATOM 0 HA CYS C 7 4.387 7.798 -11.862 1.00 20.85 H new ATOM 0 HB2 CYS C 7 2.358 9.243 -11.355 1.00 24.76 H new ATOM 0 HB3 CYS C 7 2.095 9.386 -13.082 1.00 24.76 H new ATOM 885 N THR C 8 5.342 8.502 -14.583 1.00 21.32 N ATOM 886 CA THR C 8 5.649 8.059 -15.969 1.00 24.26 C ATOM 887 C THR C 8 6.902 7.191 -15.916 1.00 28.47 C ATOM 888 O THR C 8 6.974 6.139 -16.521 1.00 40.00 O ATOM 889 CB THR C 8 5.900 9.277 -16.858 1.00 28.47 C ATOM 890 OG1 THR C 8 6.673 10.231 -16.145 1.00 40.00 O ATOM 891 CG2 THR C 8 4.563 9.898 -17.258 1.00 40.00 C ATOM 0 H THR C 8 6.030 9.128 -14.164 1.00 21.32 H new ATOM 0 HA THR C 8 4.813 7.495 -16.382 1.00 24.26 H new ATOM 0 HB THR C 8 6.440 8.970 -17.754 1.00 28.47 H new ATOM 0 HG1 THR C 8 6.146 11.047 -16.014 1.00 40.00 H new ATOM 0 HG21 THR C 8 4.740 10.767 -17.892 1.00 40.00 H new ATOM 0 HG22 THR C 8 3.970 9.165 -17.805 1.00 40.00 H new ATOM 0 HG23 THR C 8 4.023 10.206 -16.363 1.00 40.00 H new ATOM 899 N SER C 9 7.887 7.626 -15.181 1.00 23.75 N ATOM 900 CA SER C 9 9.142 6.841 -15.062 1.00 34.20 C ATOM 901 C SER C 9 9.780 7.131 -13.701 1.00 27.92 C ATOM 902 O SER C 9 10.981 7.049 -13.539 1.00 40.00 O ATOM 903 CB SER C 9 10.103 7.244 -16.180 1.00 40.00 C ATOM 904 OG SER C 9 9.357 7.511 -17.361 1.00 40.00 O ATOM 0 H SER C 9 7.874 8.499 -14.654 1.00 23.75 H new ATOM 0 HA SER C 9 8.925 5.776 -15.146 1.00 34.20 H new ATOM 0 HB2 SER C 9 10.672 8.126 -15.887 1.00 40.00 H new ATOM 0 HB3 SER C 9 10.823 6.446 -16.362 1.00 40.00 H new ATOM 0 HG SER C 9 9.968 7.772 -18.082 1.00 40.00 H new ATOM 910 N ILE C 10 8.976 7.472 -12.727 1.00 20.85 N ATOM 911 CA ILE C 10 9.505 7.772 -11.365 1.00 16.84 C ATOM 912 C ILE C 10 10.438 8.984 -11.414 1.00 14.80 C ATOM 913 O ILE C 10 11.315 9.080 -12.248 1.00 19.92 O ATOM 914 CB ILE C 10 10.259 6.551 -10.821 1.00 20.85 C ATOM 915 CG1 ILE C 10 9.286 5.374 -10.709 1.00 26.32 C ATOM 916 CG2 ILE C 10 10.831 6.866 -9.437 1.00 19.02 C ATOM 917 CD1 ILE C 10 9.412 4.490 -11.950 1.00 37.27 C ATOM 0 H ILE C 10 7.964 7.556 -12.820 1.00 20.85 H new ATOM 0 HA ILE C 10 8.669 8.001 -10.704 1.00 16.84 H new ATOM 0 HB ILE C 10 11.076 6.298 -11.497 1.00 20.85 H new ATOM 0 HG12 ILE C 10 9.502 4.793 -9.812 1.00 26.32 H new ATOM 0 HG13 ILE C 10 8.264 5.741 -10.613 1.00 26.32 H new ATOM 0 HG21 ILE C 10 11.365 5.995 -9.057 1.00 19.02 H new ATOM 0 HG22 ILE C 10 11.518 7.709 -9.511 1.00 19.02 H new ATOM 0 HG23 ILE C 10 10.018 7.119 -8.756 1.00 19.02 H new ATOM 0 HD11 ILE C 10 8.720 3.652 -11.871 1.00 37.27 H new ATOM 0 HD12 ILE C 10 9.174 5.075 -12.839 1.00 37.27 H new ATOM 0 HD13 ILE C 10 10.432 4.113 -12.026 1.00 37.27 H new ATOM 929 N CYS C 11 10.252 9.906 -10.508 1.00 12.17 N ATOM 930 CA CYS C 11 11.120 11.113 -10.471 1.00 13.27 C ATOM 931 C CYS C 11 12.384 10.790 -9.675 1.00 14.80 C ATOM 932 O CYS C 11 12.494 9.744 -9.070 1.00 16.01 O ATOM 933 CB CYS C 11 10.375 12.255 -9.776 1.00 14.41 C ATOM 934 SG CYS C 11 9.131 12.948 -10.891 1.00 15.60 S ATOM 0 H CYS C 11 9.530 9.872 -9.788 1.00 12.17 H new ATOM 0 HA CYS C 11 11.380 11.409 -11.487 1.00 13.27 H new ATOM 0 HB2 CYS C 11 9.898 11.889 -8.867 1.00 14.41 H new ATOM 0 HB3 CYS C 11 11.079 13.031 -9.476 1.00 14.41 H new ATOM 939 N SER C 12 13.333 11.685 -9.660 1.00 16.84 N ATOM 940 CA SER C 12 14.581 11.428 -8.891 1.00 19.92 C ATOM 941 C SER C 12 14.409 11.953 -7.468 1.00 19.92 C ATOM 942 O SER C 12 13.552 12.769 -7.197 1.00 18.57 O ATOM 943 CB SER C 12 15.754 12.150 -9.554 1.00 23.75 C ATOM 944 OG SER C 12 16.079 11.495 -10.773 1.00 40.00 O ATOM 0 H SER C 12 13.298 12.581 -10.146 1.00 16.84 H new ATOM 0 HA SER C 12 14.780 10.357 -8.871 1.00 19.92 H new ATOM 0 HB2 SER C 12 15.494 13.191 -9.745 1.00 23.75 H new ATOM 0 HB3 SER C 12 16.617 12.154 -8.888 1.00 23.75 H new ATOM 0 HG SER C 12 16.830 11.956 -11.202 1.00 40.00 H new ATOM 950 N LEU C 13 15.220 11.494 -6.559 1.00 22.76 N ATOM 951 CA LEU C 13 15.106 11.966 -5.152 1.00 25.28 C ATOM 952 C LEU C 13 15.185 13.495 -5.108 1.00 25.28 C ATOM 953 O LEU C 13 14.445 14.143 -4.397 1.00 25.28 O ATOM 954 CB LEU C 13 16.249 11.371 -4.331 1.00 32.43 C ATOM 955 CG LEU C 13 16.063 11.727 -2.856 1.00 35.41 C ATOM 956 CD1 LEU C 13 16.496 10.544 -1.989 1.00 40.00 C ATOM 957 CD2 LEU C 13 16.919 12.949 -2.518 1.00 40.00 C ATOM 0 H LEU C 13 15.958 10.811 -6.729 1.00 22.76 H new ATOM 0 HA LEU C 13 14.149 11.648 -4.738 1.00 25.28 H new ATOM 0 HB2 LEU C 13 16.272 10.288 -4.454 1.00 32.43 H new ATOM 0 HB3 LEU C 13 17.205 11.753 -4.690 1.00 32.43 H new ATOM 0 HG LEU C 13 15.014 11.953 -2.664 1.00 35.41 H new ATOM 0 HD11 LEU C 13 16.364 10.796 -0.937 1.00 40.00 H new ATOM 0 HD12 LEU C 13 15.888 9.673 -2.232 1.00 40.00 H new ATOM 0 HD13 LEU C 13 17.545 10.318 -2.179 1.00 40.00 H new ATOM 0 HD21 LEU C 13 16.788 13.205 -1.467 1.00 40.00 H new ATOM 0 HD22 LEU C 13 17.968 12.722 -2.709 1.00 40.00 H new ATOM 0 HD23 LEU C 13 16.611 13.791 -3.138 1.00 40.00 H new ATOM 969 N TYR C 14 16.080 14.079 -5.858 1.00 28.47 N ATOM 970 CA TYR C 14 16.205 15.567 -5.848 1.00 32.43 C ATOM 971 C TYR C 14 14.976 16.199 -6.495 1.00 28.47 C ATOM 972 O TYR C 14 14.531 17.256 -6.100 1.00 31.27 O ATOM 973 CB TYR C 14 17.452 15.980 -6.634 1.00 40.00 C ATOM 974 CG TYR C 14 18.671 15.381 -5.980 1.00 40.00 C ATOM 975 CD1 TYR C 14 19.084 14.029 -6.317 1.00 40.00 C ATOM 976 CD2 TYR C 14 19.427 16.152 -5.007 1.00 40.00 C ATOM 977 CE1 TYR C 14 20.255 13.445 -5.682 1.00 40.00 C ATOM 978 CE2 TYR C 14 20.598 15.569 -4.369 1.00 40.00 C ATOM 979 CZ TYR C 14 21.011 14.216 -4.706 1.00 40.00 C ATOM 980 OH TYR C 14 22.121 13.661 -4.100 1.00 40.00 O ATOM 0 H TYR C 14 16.729 13.592 -6.476 1.00 28.47 H new ATOM 0 HA TYR C 14 16.286 15.909 -4.816 1.00 32.43 H new ATOM 0 HB2 TYR C 14 17.375 15.640 -7.667 1.00 40.00 H new ATOM 0 HB3 TYR C 14 17.536 17.066 -6.661 1.00 40.00 H new ATOM 0 HD1 TYR C 14 18.521 13.457 -7.040 1.00 40.00 H new ATOM 0 HD2 TYR C 14 19.120 17.157 -4.758 1.00 40.00 H new ATOM 0 HE1 TYR C 14 20.563 12.441 -5.934 1.00 40.00 H new ATOM 0 HE2 TYR C 14 21.160 16.141 -3.646 1.00 40.00 H new ATOM 0 HH TYR C 14 22.511 14.308 -3.476 1.00 40.00 H new ATOM 990 N GLN C 15 14.431 15.570 -7.497 1.00 24.76 N ATOM 991 CA GLN C 15 13.239 16.151 -8.173 1.00 23.26 C ATOM 992 C GLN C 15 12.066 16.207 -7.196 1.00 19.92 C ATOM 993 O GLN C 15 11.251 17.107 -7.240 1.00 21.79 O ATOM 994 CB GLN C 15 12.864 15.278 -9.371 1.00 22.76 C ATOM 995 CG GLN C 15 13.534 15.828 -10.629 1.00 29.02 C ATOM 996 CD GLN C 15 13.263 14.886 -11.797 1.00 26.32 C ATOM 997 OE1 GLN C 15 13.854 13.827 -11.888 1.00 40.00 O ATOM 998 NE2 GLN C 15 12.388 15.225 -12.704 1.00 40.00 N ATOM 0 H GLN C 15 14.758 14.681 -7.876 1.00 24.76 H new ATOM 0 HA GLN C 15 13.471 17.161 -8.512 1.00 23.26 H new ATOM 0 HB2 GLN C 15 13.179 14.249 -9.198 1.00 22.76 H new ATOM 0 HB3 GLN C 15 11.782 15.263 -9.499 1.00 22.76 H new ATOM 0 HG2 GLN C 15 13.151 16.824 -10.853 1.00 29.02 H new ATOM 0 HG3 GLN C 15 14.608 15.928 -10.469 1.00 29.02 H new ATOM 0 HE21 GLN C 15 11.892 16.113 -12.628 1.00 40.00 H new ATOM 0 HE22 GLN C 15 12.200 14.602 -13.489 1.00 40.00 H new ATOM 1007 N LEU C 16 11.967 15.248 -6.319 1.00 17.27 N ATOM 1008 CA LEU C 16 10.841 15.243 -5.345 1.00 15.20 C ATOM 1009 C LEU C 16 11.005 16.395 -4.354 1.00 18.57 C ATOM 1010 O LEU C 16 10.042 16.988 -3.911 1.00 20.38 O ATOM 1011 CB LEU C 16 10.835 13.912 -4.595 1.00 13.64 C ATOM 1012 CG LEU C 16 10.616 12.771 -5.589 1.00 12.90 C ATOM 1013 CD1 LEU C 16 10.752 11.430 -4.870 1.00 14.80 C ATOM 1014 CD2 LEU C 16 9.217 12.880 -6.197 1.00 12.53 C ATOM 0 H LEU C 16 12.618 14.467 -6.235 1.00 17.27 H new ATOM 0 HA LEU C 16 9.898 15.368 -5.877 1.00 15.20 H new ATOM 0 HB2 LEU C 16 11.779 13.774 -4.068 1.00 13.64 H new ATOM 0 HB3 LEU C 16 10.047 13.910 -3.842 1.00 13.64 H new ATOM 0 HG LEU C 16 11.363 12.837 -6.380 1.00 12.90 H new ATOM 0 HD11 LEU C 16 10.595 10.619 -5.581 1.00 14.80 H new ATOM 0 HD12 LEU C 16 11.750 11.348 -4.439 1.00 14.80 H new ATOM 0 HD13 LEU C 16 10.008 11.366 -4.076 1.00 14.80 H new ATOM 0 HD21 LEU C 16 9.064 12.066 -6.905 1.00 12.53 H new ATOM 0 HD22 LEU C 16 8.470 12.818 -5.405 1.00 12.53 H new ATOM 0 HD23 LEU C 16 9.119 13.834 -6.715 1.00 12.53 H new ATOM 1026 N GLU C 17 12.219 16.719 -4.001 1.00 20.85 N ATOM 1027 CA GLU C 17 12.443 17.835 -3.036 1.00 26.32 C ATOM 1028 C GLU C 17 11.819 19.125 -3.570 1.00 29.57 C ATOM 1029 O GLU C 17 11.313 19.934 -2.821 1.00 34.20 O ATOM 1030 CB GLU C 17 13.944 18.042 -2.845 1.00 31.85 C ATOM 1031 CG GLU C 17 14.433 17.166 -1.694 1.00 40.00 C ATOM 1032 CD GLU C 17 15.756 17.718 -1.161 1.00 40.00 C ATOM 1033 OE1 GLU C 17 15.742 18.814 -0.622 1.00 40.00 O ATOM 1034 OE2 GLU C 17 16.760 17.036 -1.302 1.00 40.00 O ATOM 0 H GLU C 17 13.065 16.260 -4.338 1.00 20.85 H new ATOM 0 HA GLU C 17 11.978 17.582 -2.083 1.00 26.32 H new ATOM 0 HB2 GLU C 17 14.477 17.789 -3.761 1.00 31.85 H new ATOM 0 HB3 GLU C 17 14.154 19.090 -2.634 1.00 31.85 H new ATOM 0 HG2 GLU C 17 13.689 17.144 -0.898 1.00 40.00 H new ATOM 0 HG3 GLU C 17 14.566 16.139 -2.035 1.00 40.00 H new ATOM 1041 N ASN C 18 11.852 19.330 -4.859 1.00 30.13 N ATOM 1042 CA ASN C 18 11.262 20.576 -5.432 1.00 36.65 C ATOM 1043 C ASN C 18 9.813 20.729 -4.967 1.00 33.01 C ATOM 1044 O ASN C 18 9.317 21.824 -4.797 1.00 37.27 O ATOM 1045 CB ASN C 18 11.295 20.502 -6.959 1.00 40.00 C ATOM 1046 CG ASN C 18 12.744 20.386 -7.429 1.00 38.53 C ATOM 1047 OD1 ASN C 18 13.503 19.591 -6.911 1.00 40.00 O ATOM 1048 ND2 ASN C 18 13.165 21.151 -8.398 1.00 40.00 N ATOM 0 H ASN C 18 12.261 18.690 -5.540 1.00 30.13 H new ATOM 0 HA ASN C 18 11.843 21.433 -5.092 1.00 36.65 H new ATOM 0 HB2 ASN C 18 10.719 19.644 -7.305 1.00 40.00 H new ATOM 0 HB3 ASN C 18 10.832 21.391 -7.387 1.00 40.00 H new ATOM 0 HD21 ASN C 18 14.130 21.081 -8.720 1.00 40.00 H new ATOM 0 HD22 ASN C 18 12.529 21.819 -8.834 1.00 40.00 H new ATOM 1055 N TYR C 19 9.131 19.640 -4.763 1.00 28.47 N ATOM 1056 CA TYR C 19 7.715 19.726 -4.309 1.00 27.38 C ATOM 1057 C TYR C 19 7.644 19.747 -2.776 1.00 26.32 C ATOM 1058 O TYR C 19 6.615 20.049 -2.204 1.00 40.00 O ATOM 1059 CB TYR C 19 6.945 18.518 -4.840 1.00 27.38 C ATOM 1060 CG TYR C 19 7.145 18.423 -6.332 1.00 26.85 C ATOM 1061 CD1 TYR C 19 6.248 19.132 -7.233 1.00 40.00 C ATOM 1062 CD2 TYR C 19 8.235 17.626 -6.869 1.00 40.00 C ATOM 1063 CE1 TYR C 19 6.443 19.041 -8.672 1.00 40.00 C ATOM 1064 CE2 TYR C 19 8.429 17.534 -8.307 1.00 40.00 C ATOM 1065 CZ TYR C 19 7.534 18.241 -9.208 1.00 30.13 C ATOM 1066 OH TYR C 19 7.720 18.154 -10.573 1.00 34.81 O ATOM 0 H TYR C 19 9.491 18.694 -4.890 1.00 28.47 H new ATOM 0 HA TYR C 19 7.273 20.646 -4.691 1.00 27.38 H new ATOM 0 HB2 TYR C 19 7.294 17.606 -4.355 1.00 27.38 H new ATOM 0 HB3 TYR C 19 5.884 18.616 -4.608 1.00 27.38 H new ATOM 0 HD1 TYR C 19 5.439 19.725 -6.834 1.00 40.00 H new ATOM 0 HD2 TYR C 19 8.901 17.102 -6.200 1.00 40.00 H new ATOM 0 HE1 TYR C 19 5.779 19.567 -9.342 1.00 40.00 H new ATOM 0 HE2 TYR C 19 9.238 16.940 -8.706 1.00 40.00 H new ATOM 0 HH TYR C 19 6.851 18.195 -11.025 1.00 34.81 H new ATOM 1076 N CYS C 20 8.718 19.430 -2.099 1.00 22.28 N ATOM 1077 CA CYS C 20 8.685 19.437 -0.612 1.00 24.76 C ATOM 1078 C CYS C 20 8.227 20.808 -0.113 1.00 32.43 C ATOM 1079 O CYS C 20 8.355 21.804 -0.795 1.00 40.00 O ATOM 1080 CB CYS C 20 10.085 19.144 -0.076 1.00 23.26 C ATOM 1081 SG CYS C 20 9.957 18.501 1.605 1.00 29.57 S ATOM 0 H CYS C 20 9.612 19.168 -2.513 1.00 22.28 H new ATOM 0 HA CYS C 20 7.989 18.675 -0.261 1.00 24.76 H new ATOM 0 HB2 CYS C 20 10.588 18.420 -0.717 1.00 23.26 H new ATOM 0 HB3 CYS C 20 10.688 20.052 -0.085 1.00 23.26 H new ATOM 1086 N ASN C 21 7.692 20.864 1.071 1.00 25.80 N ATOM 1087 CA ASN C 21 7.222 22.166 1.618 1.00 35.41 C ATOM 1088 C ASN C 21 8.374 22.865 2.339 1.00 40.00 C ATOM 1089 O ASN C 21 9.112 23.579 1.680 1.00 40.00 O ATOM 1090 CB ASN C 21 6.082 21.914 2.605 1.00 40.00 C ATOM 1091 CG ASN C 21 5.595 23.249 3.169 1.00 40.00 C ATOM 1092 OD1 ASN C 21 6.326 23.932 3.860 1.00 40.00 O ATOM 1093 ND2 ASN C 21 4.383 23.655 2.900 1.00 40.00 N ATOM 1094 OXT ASN C 21 8.497 22.677 3.539 1.00 40.00 O ATOM 0 H ASN C 21 7.559 20.062 1.687 1.00 25.80 H new ATOM 0 HA ASN C 21 6.870 22.799 0.803 1.00 35.41 H new ATOM 0 HB2 ASN C 21 5.262 21.396 2.107 1.00 40.00 H new ATOM 0 HB3 ASN C 21 6.423 21.267 3.414 1.00 40.00 H new ATOM 0 HD21 ASN C 21 4.050 24.545 3.270 1.00 40.00 H new ATOM 0 HD22 ASN C 21 3.770 23.082 2.320 1.00 40.00 H new TER 1101 ASN C 21 ATOM 1102 N PHE D 1 -5.331 -0.068 -16.163 1.00 40.00 N ATOM 1103 CA PHE D 1 -4.117 0.779 -15.992 1.00 40.00 C ATOM 1104 C PHE D 1 -4.486 2.057 -15.219 1.00 40.00 C ATOM 1105 O PHE D 1 -3.839 3.080 -15.348 1.00 40.00 O ATOM 1106 CB PHE D 1 -3.549 1.142 -17.381 1.00 40.00 C ATOM 1107 CG PHE D 1 -4.529 2.023 -18.138 1.00 40.00 C ATOM 1108 CD1 PHE D 1 -5.781 1.470 -18.627 1.00 40.00 C ATOM 1109 CD2 PHE D 1 -4.217 3.427 -18.357 1.00 40.00 C ATOM 1110 CE1 PHE D 1 -6.724 2.322 -19.337 1.00 40.00 C ATOM 1111 CE2 PHE D 1 -5.158 4.278 -19.069 1.00 40.00 C ATOM 1112 CZ PHE D 1 -6.411 3.726 -19.559 1.00 40.00 C ATOM 0 H1 PHE D 1 -5.071 -0.955 -16.641 1.00 40.00 H new ATOM 0 H2 PHE D 1 -5.738 -0.283 -15.231 1.00 40.00 H new ATOM 0 H3 PHE D 1 -6.032 0.442 -16.737 1.00 40.00 H new ATOM 0 HA PHE D 1 -3.361 0.232 -15.429 1.00 40.00 H new ATOM 0 HB2 PHE D 1 -2.597 1.660 -17.268 1.00 40.00 H new ATOM 0 HB3 PHE D 1 -3.352 0.233 -17.950 1.00 40.00 H new ATOM 0 HD1 PHE D 1 -6.012 0.428 -18.464 1.00 40.00 H new ATOM 0 HD2 PHE D 1 -3.287 3.837 -17.991 1.00 40.00 H new ATOM 0 HE1 PHE D 1 -7.656 1.912 -19.699 1.00 40.00 H new ATOM 0 HE2 PHE D 1 -4.926 5.320 -19.234 1.00 40.00 H new ATOM 0 HZ PHE D 1 -7.109 4.358 -20.088 1.00 40.00 H new ATOM 1124 N VAL D 2 -5.532 2.014 -14.431 1.00 40.00 N ATOM 1125 CA VAL D 2 -5.962 3.229 -13.661 1.00 40.00 C ATOM 1126 C VAL D 2 -4.772 3.864 -12.942 1.00 31.27 C ATOM 1127 O VAL D 2 -4.326 3.388 -11.915 1.00 40.00 O ATOM 1128 CB VAL D 2 -7.005 2.820 -12.630 1.00 40.00 C ATOM 1129 CG1 VAL D 2 -8.271 2.370 -13.358 1.00 40.00 C ATOM 1130 CG2 VAL D 2 -6.456 1.669 -11.779 1.00 40.00 C ATOM 0 H VAL D 2 -6.111 1.187 -14.285 1.00 40.00 H new ATOM 0 HA VAL D 2 -6.379 3.956 -14.358 1.00 40.00 H new ATOM 0 HB VAL D 2 -7.238 3.663 -11.980 1.00 40.00 H new ATOM 0 HG11 VAL D 2 -9.025 2.075 -12.628 1.00 40.00 H new ATOM 0 HG12 VAL D 2 -8.654 3.192 -13.963 1.00 40.00 H new ATOM 0 HG13 VAL D 2 -8.038 1.522 -14.002 1.00 40.00 H new ATOM 0 HG21 VAL D 2 -7.202 1.375 -11.040 1.00 40.00 H new ATOM 0 HG22 VAL D 2 -6.227 0.819 -12.421 1.00 40.00 H new ATOM 0 HG23 VAL D 2 -5.549 1.994 -11.269 1.00 40.00 H new ATOM 1140 N ASN D 3 -4.250 4.923 -13.483 1.00 31.85 N ATOM 1141 CA ASN D 3 -3.083 5.579 -12.843 1.00 40.00 C ATOM 1142 C ASN D 3 -3.528 6.909 -12.225 1.00 40.00 C ATOM 1143 O ASN D 3 -4.705 7.193 -12.123 1.00 40.00 O ATOM 1144 CB ASN D 3 -2.003 5.814 -13.907 1.00 40.00 C ATOM 1145 CG ASN D 3 -1.026 4.629 -13.920 1.00 40.00 C ATOM 1146 OD1 ASN D 3 0.178 4.814 -13.915 1.00 40.00 O ATOM 1147 ND2 ASN D 3 -1.497 3.409 -13.939 1.00 40.00 N ATOM 0 H ASN D 3 -4.581 5.363 -14.341 1.00 31.85 H new ATOM 0 HA ASN D 3 -2.676 4.946 -12.054 1.00 40.00 H new ATOM 0 HB2 ASN D 3 -2.464 5.929 -14.888 1.00 40.00 H new ATOM 0 HB3 ASN D 3 -1.466 6.739 -13.696 1.00 40.00 H new ATOM 0 HD21 ASN D 3 -0.857 2.615 -13.950 1.00 40.00 H new ATOM 0 HD22 ASN D 3 -2.505 3.251 -13.943 1.00 40.00 H new ATOM 1154 N GLN D 4 -2.594 7.718 -11.808 1.00 30.70 N ATOM 1155 CA GLN D 4 -2.945 9.026 -11.187 1.00 22.76 C ATOM 1156 C GLN D 4 -3.805 8.793 -9.934 1.00 20.85 C ATOM 1157 O GLN D 4 -3.299 8.761 -8.832 1.00 21.32 O ATOM 1158 CB GLN D 4 -3.696 9.896 -12.203 1.00 24.26 C ATOM 1159 CG GLN D 4 -4.124 11.216 -11.539 1.00 36.65 C ATOM 1160 CD GLN D 4 -3.652 12.416 -12.367 1.00 40.00 C ATOM 1161 OE1 GLN D 4 -2.945 12.265 -13.346 1.00 40.00 O ATOM 1162 NE2 GLN D 4 -4.018 13.616 -12.009 1.00 40.00 N ATOM 0 H GLN D 4 -1.594 7.527 -11.871 1.00 30.70 H new ATOM 0 HA GLN D 4 -2.033 9.544 -10.891 1.00 22.76 H new ATOM 0 HB2 GLN D 4 -3.058 10.100 -13.063 1.00 24.26 H new ATOM 0 HB3 GLN D 4 -4.572 9.364 -12.575 1.00 24.26 H new ATOM 0 HG2 GLN D 4 -5.209 11.242 -11.437 1.00 36.65 H new ATOM 0 HG3 GLN D 4 -3.707 11.275 -10.533 1.00 36.65 H new ATOM 0 HE21 GLN D 4 -4.611 13.745 -11.189 1.00 40.00 H new ATOM 0 HE22 GLN D 4 -3.712 14.425 -12.549 1.00 40.00 H new ATOM 1171 N HIS D 5 -5.095 8.645 -10.088 1.00 24.76 N ATOM 1172 CA HIS D 5 -5.966 8.432 -8.893 1.00 26.85 C ATOM 1173 C HIS D 5 -5.471 7.232 -8.083 1.00 29.57 C ATOM 1174 O HIS D 5 -5.764 7.100 -6.914 1.00 40.00 O ATOM 1175 CB HIS D 5 -7.402 8.180 -9.343 1.00 25.80 C ATOM 1176 CG HIS D 5 -8.329 8.451 -8.194 1.00 30.70 C ATOM 1177 ND1 HIS D 5 -8.642 9.738 -7.787 1.00 31.85 N ATOM 1178 CD2 HIS D 5 -9.018 7.614 -7.353 1.00 40.00 C ATOM 1179 CE1 HIS D 5 -9.487 9.639 -6.743 1.00 38.53 C ATOM 1180 NE2 HIS D 5 -9.749 8.365 -6.439 1.00 40.00 N ATOM 0 H HIS D 5 -5.582 8.662 -10.984 1.00 24.76 H new ATOM 0 HA HIS D 5 -5.928 9.324 -8.268 1.00 26.85 H new ATOM 0 HB2 HIS D 5 -7.650 8.823 -10.187 1.00 25.80 H new ATOM 0 HB3 HIS D 5 -7.515 7.151 -9.683 1.00 25.80 H new ATOM 0 HD1 HIS D 5 -8.296 10.603 -8.202 1.00 31.85 H new ATOM 0 HD2 HIS D 5 -8.996 6.535 -7.395 1.00 40.00 H new ATOM 0 HE1 HIS D 5 -9.902 10.486 -6.216 1.00 38.53 H new ATOM 1188 N LEU D 6 -4.728 6.356 -8.695 1.00 25.28 N ATOM 1189 CA LEU D 6 -4.210 5.163 -7.963 1.00 30.13 C ATOM 1190 C LEU D 6 -2.679 5.253 -7.856 1.00 25.80 C ATOM 1191 O LEU D 6 -2.068 4.679 -6.977 1.00 27.92 O ATOM 1192 CB LEU D 6 -4.588 3.901 -8.741 1.00 40.00 C ATOM 1193 CG LEU D 6 -5.451 2.992 -7.865 1.00 40.00 C ATOM 1194 CD1 LEU D 6 -6.794 3.670 -7.583 1.00 40.00 C ATOM 1195 CD2 LEU D 6 -5.690 1.668 -8.597 1.00 40.00 C ATOM 0 H LEU D 6 -4.454 6.413 -9.676 1.00 25.28 H new ATOM 0 HA LEU D 6 -4.642 5.127 -6.963 1.00 30.13 H new ATOM 0 HB2 LEU D 6 -5.131 4.170 -9.647 1.00 40.00 H new ATOM 0 HB3 LEU D 6 -3.688 3.372 -9.054 1.00 40.00 H new ATOM 0 HG LEU D 6 -4.940 2.804 -6.921 1.00 40.00 H new ATOM 0 HD11 LEU D 6 -7.406 3.019 -6.959 1.00 40.00 H new ATOM 0 HD12 LEU D 6 -6.623 4.614 -7.065 1.00 40.00 H new ATOM 0 HD13 LEU D 6 -7.310 3.860 -8.524 1.00 40.00 H new ATOM 0 HD21 LEU D 6 -6.305 1.015 -7.977 1.00 40.00 H new ATOM 0 HD22 LEU D 6 -6.202 1.861 -9.540 1.00 40.00 H new ATOM 0 HD23 LEU D 6 -4.734 1.184 -8.796 1.00 40.00 H new ATOM 1207 N CYS D 7 -2.061 5.959 -8.762 1.00 25.80 N ATOM 1208 CA CYS D 7 -0.582 6.100 -8.765 1.00 24.76 C ATOM 1209 C CYS D 7 -0.146 7.147 -7.738 1.00 17.70 C ATOM 1210 O CYS D 7 0.767 6.936 -6.968 1.00 14.80 O ATOM 1211 CB CYS D 7 -0.201 6.584 -10.154 1.00 33.61 C ATOM 1212 SG CYS D 7 1.583 6.590 -10.384 1.00 23.75 S ATOM 0 H CYS D 7 -2.533 6.455 -9.518 1.00 25.80 H new ATOM 0 HA CYS D 7 -0.103 5.154 -8.514 1.00 24.76 H new ATOM 0 HB2 CYS D 7 -0.663 5.942 -10.904 1.00 33.61 H new ATOM 0 HB3 CYS D 7 -0.592 7.589 -10.310 1.00 33.61 H new ATOM 1217 N GLY D 8 -0.784 8.284 -7.747 1.00 18.57 N ATOM 1218 CA GLY D 8 -0.410 9.371 -6.799 1.00 15.60 C ATOM 1219 C GLY D 8 -0.397 8.863 -5.359 1.00 14.80 C ATOM 1220 O GLY D 8 0.437 9.255 -4.570 1.00 13.27 O ATOM 0 H GLY D 8 -1.555 8.509 -8.376 1.00 18.57 H new ATOM 0 HA2 GLY D 8 0.574 9.762 -7.059 1.00 15.60 H new ATOM 0 HA3 GLY D 8 -1.116 10.197 -6.890 1.00 15.60 H new ATOM 1224 N SER D 9 -1.321 8.014 -4.997 1.00 19.47 N ATOM 1225 CA SER D 9 -1.365 7.505 -3.590 1.00 23.75 C ATOM 1226 C SER D 9 0.000 6.974 -3.163 1.00 21.79 C ATOM 1227 O SER D 9 0.327 6.964 -1.993 1.00 32.43 O ATOM 1228 CB SER D 9 -2.380 6.367 -3.482 1.00 30.70 C ATOM 1229 OG SER D 9 -2.435 5.673 -4.723 1.00 40.00 O ATOM 0 H SER D 9 -2.048 7.649 -5.612 1.00 19.47 H new ATOM 0 HA SER D 9 -1.651 8.333 -2.941 1.00 23.75 H new ATOM 0 HB2 SER D 9 -2.095 5.684 -2.682 1.00 30.70 H new ATOM 0 HB3 SER D 9 -3.363 6.763 -3.229 1.00 30.70 H new ATOM 0 HG SER D 9 -3.114 6.084 -5.298 1.00 40.00 H new ATOM 1235 N HIS D 10 0.790 6.510 -4.089 1.00 15.20 N ATOM 1236 CA HIS D 10 2.115 5.957 -3.710 1.00 15.60 C ATOM 1237 C HIS D 10 3.224 6.963 -4.006 1.00 10.78 C ATOM 1238 O HIS D 10 4.301 6.875 -3.449 1.00 10.45 O ATOM 1239 CB HIS D 10 2.335 4.657 -4.467 1.00 20.85 C ATOM 1240 CG HIS D 10 1.216 3.725 -4.098 1.00 31.85 C ATOM 1241 ND1 HIS D 10 0.761 3.611 -2.793 1.00 40.00 N ATOM 1242 CD2 HIS D 10 0.429 2.886 -4.844 1.00 37.90 C ATOM 1243 CE1 HIS D 10 -0.258 2.735 -2.793 1.00 40.00 C ATOM 1244 NE2 HIS D 10 -0.503 2.262 -4.018 1.00 40.00 N ATOM 0 H HIS D 10 0.576 6.490 -5.086 1.00 15.20 H new ATOM 0 HA HIS D 10 2.139 5.757 -2.639 1.00 15.60 H new ATOM 0 HB2 HIS D 10 2.346 4.836 -5.542 1.00 20.85 H new ATOM 0 HB3 HIS D 10 3.299 4.220 -4.207 1.00 20.85 H new ATOM 0 HD1 HIS D 10 1.132 4.103 -1.980 1.00 40.00 H new ATOM 0 HD2 HIS D 10 0.518 2.732 -5.909 1.00 37.90 H new ATOM 0 HE1 HIS D 10 -0.811 2.448 -1.911 1.00 40.00 H new ATOM 1252 N LEU D 11 2.970 7.938 -4.840 1.00 9.47 N ATOM 1253 CA LEU D 11 4.022 8.958 -5.106 1.00 7.67 C ATOM 1254 C LEU D 11 4.184 9.770 -3.831 1.00 6.32 C ATOM 1255 O LEU D 11 5.268 10.164 -3.456 1.00 6.32 O ATOM 1256 CB LEU D 11 3.594 9.896 -6.237 1.00 8.55 C ATOM 1257 CG LEU D 11 3.158 9.090 -7.455 1.00 7.96 C ATOM 1258 CD1 LEU D 11 2.725 10.051 -8.560 1.00 10.78 C ATOM 1259 CD2 LEU D 11 4.323 8.236 -7.951 1.00 8.85 C ATOM 0 H LEU D 11 2.092 8.070 -5.341 1.00 9.47 H new ATOM 0 HA LEU D 11 4.951 8.470 -5.400 1.00 7.67 H new ATOM 0 HB2 LEU D 11 2.775 10.532 -5.901 1.00 8.55 H new ATOM 0 HB3 LEU D 11 4.420 10.555 -6.505 1.00 8.55 H new ATOM 0 HG LEU D 11 2.327 8.439 -7.184 1.00 7.96 H new ATOM 0 HD11 LEU D 11 2.412 9.482 -9.435 1.00 10.78 H new ATOM 0 HD12 LEU D 11 1.893 10.661 -8.207 1.00 10.78 H new ATOM 0 HD13 LEU D 11 3.561 10.698 -8.828 1.00 10.78 H new ATOM 0 HD21 LEU D 11 4.008 7.661 -8.822 1.00 8.85 H new ATOM 0 HD22 LEU D 11 5.157 8.882 -8.225 1.00 8.85 H new ATOM 0 HD23 LEU D 11 4.637 7.554 -7.160 1.00 8.85 H new ATOM 1271 N VAL D 12 3.090 10.017 -3.164 1.00 7.67 N ATOM 1272 CA VAL D 12 3.131 10.802 -1.904 1.00 9.16 C ATOM 1273 C VAL D 12 3.891 10.022 -0.833 1.00 9.47 C ATOM 1274 O VAL D 12 4.585 10.589 -0.017 1.00 10.12 O ATOM 1275 CB VAL D 12 1.706 11.073 -1.417 1.00 16.01 C ATOM 1276 CG1 VAL D 12 0.952 11.883 -2.470 1.00 24.76 C ATOM 1277 CG2 VAL D 12 0.979 9.746 -1.174 1.00 32.43 C ATOM 0 H VAL D 12 2.161 9.704 -3.444 1.00 7.67 H new ATOM 0 HA VAL D 12 3.638 11.749 -2.092 1.00 9.16 H new ATOM 0 HB VAL D 12 1.746 11.636 -0.485 1.00 16.01 H new ATOM 0 HG11 VAL D 12 -0.063 12.076 -2.123 1.00 24.76 H new ATOM 0 HG12 VAL D 12 1.465 12.830 -2.636 1.00 24.76 H new ATOM 0 HG13 VAL D 12 0.916 11.322 -3.404 1.00 24.76 H new ATOM 0 HG21 VAL D 12 -0.035 9.945 -0.827 1.00 32.43 H new ATOM 0 HG22 VAL D 12 0.940 9.177 -2.103 1.00 32.43 H new ATOM 0 HG23 VAL D 12 1.514 9.171 -0.419 1.00 32.43 H new ATOM 1287 N GLU D 13 3.773 8.725 -0.829 1.00 11.12 N ATOM 1288 CA GLU D 13 4.498 7.917 0.192 1.00 14.03 C ATOM 1289 C GLU D 13 5.992 8.218 0.104 1.00 13.27 C ATOM 1290 O GLU D 13 6.665 8.376 1.099 1.00 17.70 O ATOM 1291 CB GLU D 13 4.265 6.429 -0.071 1.00 19.47 C ATOM 1292 CG GLU D 13 2.794 6.090 0.165 1.00 40.00 C ATOM 1293 CD GLU D 13 2.652 4.587 0.403 1.00 40.00 C ATOM 1294 OE1 GLU D 13 3.106 4.125 1.437 1.00 40.00 O ATOM 1295 OE2 GLU D 13 2.094 3.921 -0.454 1.00 40.00 O ATOM 0 H GLU D 13 3.207 8.189 -1.487 1.00 11.12 H new ATOM 0 HA GLU D 13 4.129 8.171 1.186 1.00 14.03 H new ATOM 0 HB2 GLU D 13 4.546 6.182 -1.095 1.00 19.47 H new ATOM 0 HB3 GLU D 13 4.896 5.830 0.586 1.00 19.47 H new ATOM 0 HG2 GLU D 13 2.415 6.643 1.025 1.00 40.00 H new ATOM 0 HG3 GLU D 13 2.197 6.391 -0.696 1.00 40.00 H new ATOM 1302 N ALA D 14 6.516 8.302 -1.084 1.00 10.78 N ATOM 1303 CA ALA D 14 7.964 8.598 -1.238 1.00 11.81 C ATOM 1304 C ALA D 14 8.200 10.093 -1.033 1.00 9.47 C ATOM 1305 O ALA D 14 9.249 10.512 -0.593 1.00 11.12 O ATOM 1306 CB ALA D 14 8.410 8.200 -2.644 1.00 12.90 C ATOM 0 H ALA D 14 6.003 8.178 -1.957 1.00 10.78 H new ATOM 0 HA ALA D 14 8.536 8.036 -0.499 1.00 11.81 H new ATOM 0 HB1 ALA D 14 9.472 8.415 -2.763 1.00 12.90 H new ATOM 0 HB2 ALA D 14 8.236 7.134 -2.793 1.00 12.90 H new ATOM 0 HB3 ALA D 14 7.840 8.767 -3.380 1.00 12.90 H new ATOM 1312 N LEU D 15 7.231 10.902 -1.357 1.00 8.25 N ATOM 1313 CA LEU D 15 7.395 12.372 -1.192 1.00 9.79 C ATOM 1314 C LEU D 15 7.716 12.706 0.261 1.00 11.46 C ATOM 1315 O LEU D 15 8.778 13.213 0.560 1.00 14.03 O ATOM 1316 CB LEU D 15 6.104 13.086 -1.575 1.00 10.12 C ATOM 1317 CG LEU D 15 6.096 13.379 -3.073 1.00 9.79 C ATOM 1318 CD1 LEU D 15 4.731 13.937 -3.475 1.00 11.12 C ATOM 1319 CD2 LEU D 15 7.173 14.412 -3.394 1.00 15.60 C ATOM 0 H LEU D 15 6.329 10.607 -1.730 1.00 8.25 H new ATOM 0 HA LEU D 15 8.210 12.700 -1.837 1.00 9.79 H new ATOM 0 HB2 LEU D 15 5.245 12.469 -1.312 1.00 10.12 H new ATOM 0 HB3 LEU D 15 6.012 14.016 -1.013 1.00 10.12 H new ATOM 0 HG LEU D 15 6.293 12.459 -3.623 1.00 9.79 H new ATOM 0 HD11 LEU D 15 4.724 14.147 -4.545 1.00 11.12 H new ATOM 0 HD12 LEU D 15 3.957 13.206 -3.244 1.00 11.12 H new ATOM 0 HD13 LEU D 15 4.537 14.857 -2.924 1.00 11.12 H new ATOM 0 HD21 LEU D 15 7.168 14.622 -4.464 1.00 15.60 H new ATOM 0 HD22 LEU D 15 6.972 15.331 -2.843 1.00 15.60 H new ATOM 0 HD23 LEU D 15 8.149 14.022 -3.105 1.00 15.60 H new ATOM 1331 N TYR D 16 6.802 12.457 1.170 1.00 16.01 N ATOM 1332 CA TYR D 16 7.083 12.804 2.590 1.00 25.80 C ATOM 1333 C TYR D 16 8.176 11.896 3.163 1.00 19.92 C ATOM 1334 O TYR D 16 8.729 12.181 4.208 1.00 21.79 O ATOM 1335 CB TYR D 16 5.788 12.783 3.429 1.00 40.00 C ATOM 1336 CG TYR D 16 5.383 11.397 3.865 1.00 18.57 C ATOM 1337 CD1 TYR D 16 5.581 10.251 2.992 1.00 40.00 C ATOM 1338 CD2 TYR D 16 4.760 11.222 5.167 1.00 40.00 C ATOM 1339 CE1 TYR D 16 5.155 8.927 3.427 1.00 40.00 C ATOM 1340 CE2 TYR D 16 4.340 9.903 5.600 1.00 40.00 C ATOM 1341 CZ TYR D 16 4.533 8.755 4.733 1.00 40.00 C ATOM 1342 OH TYR D 16 4.127 7.506 5.148 1.00 40.00 O ATOM 0 H TYR D 16 5.891 12.036 0.990 1.00 16.01 H new ATOM 0 HA TYR D 16 7.465 13.824 2.634 1.00 25.80 H new ATOM 0 HB2 TYR D 16 5.924 13.409 4.311 1.00 40.00 H new ATOM 0 HB3 TYR D 16 4.979 13.224 2.847 1.00 40.00 H new ATOM 0 HD1 TYR D 16 6.042 10.381 2.024 1.00 40.00 H new ATOM 0 HD2 TYR D 16 4.610 12.075 5.812 1.00 40.00 H new ATOM 0 HE1 TYR D 16 5.300 8.074 2.781 1.00 40.00 H new ATOM 0 HE2 TYR D 16 3.883 9.775 6.570 1.00 40.00 H new ATOM 0 HH TYR D 16 4.871 7.053 5.597 1.00 40.00 H new ATOM 1352 N LEU D 17 8.540 10.843 2.472 1.00 17.27 N ATOM 1353 CA LEU D 17 9.645 9.989 2.978 1.00 15.60 C ATOM 1354 C LEU D 17 10.939 10.759 2.736 1.00 11.81 C ATOM 1355 O LEU D 17 11.828 10.791 3.560 1.00 12.53 O ATOM 1356 CB LEU D 17 9.684 8.671 2.208 1.00 20.85 C ATOM 1357 CG LEU D 17 10.331 7.596 3.077 1.00 19.92 C ATOM 1358 CD1 LEU D 17 9.244 6.849 3.850 1.00 40.00 C ATOM 1359 CD2 LEU D 17 11.088 6.612 2.187 1.00 40.00 C ATOM 0 H LEU D 17 8.122 10.545 1.591 1.00 17.27 H new ATOM 0 HA LEU D 17 9.508 9.761 4.035 1.00 15.60 H new ATOM 0 HB2 LEU D 17 8.674 8.370 1.929 1.00 20.85 H new ATOM 0 HB3 LEU D 17 10.247 8.794 1.283 1.00 20.85 H new ATOM 0 HG LEU D 17 11.024 8.061 3.778 1.00 19.92 H new ATOM 0 HD11 LEU D 17 9.703 6.080 4.472 1.00 40.00 H new ATOM 0 HD12 LEU D 17 8.700 7.551 4.483 1.00 40.00 H new ATOM 0 HD13 LEU D 17 8.553 6.383 3.148 1.00 40.00 H new ATOM 0 HD21 LEU D 17 11.551 5.843 2.806 1.00 40.00 H new ATOM 0 HD22 LEU D 17 10.394 6.146 1.488 1.00 40.00 H new ATOM 0 HD23 LEU D 17 11.860 7.144 1.631 1.00 40.00 H new ATOM 1371 N VAL D 18 11.024 11.403 1.603 1.00 11.12 N ATOM 1372 CA VAL D 18 12.230 12.205 1.275 1.00 11.12 C ATOM 1373 C VAL D 18 12.215 13.475 2.117 1.00 11.81 C ATOM 1374 O VAL D 18 13.240 13.966 2.541 1.00 15.60 O ATOM 1375 CB VAL D 18 12.195 12.582 -0.205 1.00 12.17 C ATOM 1376 CG1 VAL D 18 13.424 13.421 -0.549 1.00 15.20 C ATOM 1377 CG2 VAL D 18 12.191 11.312 -1.057 1.00 13.64 C ATOM 0 H VAL D 18 10.299 11.405 0.885 1.00 11.12 H new ATOM 0 HA VAL D 18 13.131 11.629 1.483 1.00 11.12 H new ATOM 0 HB VAL D 18 11.293 13.159 -0.409 1.00 12.17 H new ATOM 0 HG11 VAL D 18 13.398 13.689 -1.605 1.00 15.20 H new ATOM 0 HG12 VAL D 18 13.426 14.328 0.056 1.00 15.20 H new ATOM 0 HG13 VAL D 18 14.327 12.846 -0.343 1.00 15.20 H new ATOM 0 HG21 VAL D 18 12.166 11.582 -2.113 1.00 13.64 H new ATOM 0 HG22 VAL D 18 13.092 10.733 -0.852 1.00 13.64 H new ATOM 0 HG23 VAL D 18 11.312 10.714 -0.815 1.00 13.64 H new ATOM 1387 N CYS D 19 11.053 14.009 2.364 1.00 11.12 N ATOM 1388 CA CYS D 19 10.957 15.246 3.183 1.00 15.20 C ATOM 1389 C CYS D 19 11.161 14.889 4.652 1.00 23.26 C ATOM 1390 O CYS D 19 11.629 15.687 5.438 1.00 40.00 O ATOM 1391 CB CYS D 19 9.574 15.868 3.005 1.00 14.41 C ATOM 1392 SG CYS D 19 9.435 16.571 1.347 1.00 24.26 S ATOM 0 H CYS D 19 10.162 13.640 2.032 1.00 11.12 H new ATOM 0 HA CYS D 19 11.720 15.956 2.864 1.00 15.20 H new ATOM 0 HB2 CYS D 19 8.802 15.113 3.157 1.00 14.41 H new ATOM 0 HB3 CYS D 19 9.414 16.643 3.754 1.00 14.41 H new ATOM 1397 N GLY D 20 10.808 13.693 5.029 1.00 20.38 N ATOM 1398 CA GLY D 20 10.980 13.280 6.449 1.00 29.57 C ATOM 1399 C GLY D 20 9.887 13.921 7.303 1.00 30.70 C ATOM 1400 O GLY D 20 8.734 13.545 7.241 1.00 40.00 O ATOM 0 H GLY D 20 10.408 12.983 4.415 1.00 20.38 H new ATOM 0 HA2 GLY D 20 10.931 12.194 6.531 1.00 29.57 H new ATOM 0 HA3 GLY D 20 11.963 13.583 6.810 1.00 29.57 H new ATOM 1404 N GLU D 21 10.242 14.886 8.102 1.00 33.61 N ATOM 1405 CA GLU D 21 9.227 15.553 8.964 1.00 40.00 C ATOM 1406 C GLU D 21 8.584 16.709 8.199 1.00 34.20 C ATOM 1407 O GLU D 21 7.493 17.140 8.515 1.00 40.00 O ATOM 1408 CB GLU D 21 9.905 16.094 10.223 1.00 40.00 C ATOM 1409 CG GLU D 21 10.205 14.938 11.179 1.00 40.00 C ATOM 1410 CD GLU D 21 11.452 15.269 12.004 1.00 40.00 C ATOM 1411 OE1 GLU D 21 12.543 15.162 11.464 1.00 40.00 O ATOM 1412 OE2 GLU D 21 11.294 15.626 13.162 1.00 40.00 O ATOM 0 H GLU D 21 11.193 15.243 8.196 1.00 33.61 H new ATOM 0 HA GLU D 21 8.460 14.831 9.243 1.00 40.00 H new ATOM 0 HB2 GLU D 21 10.828 16.610 9.958 1.00 40.00 H new ATOM 0 HB3 GLU D 21 9.260 16.825 10.711 1.00 40.00 H new ATOM 0 HG2 GLU D 21 9.354 14.767 11.839 1.00 40.00 H new ATOM 0 HG3 GLU D 21 10.362 14.018 10.616 1.00 40.00 H new ATOM 1419 N ARG D 22 9.250 17.223 7.202 1.00 25.80 N ATOM 1420 CA ARG D 22 8.670 18.355 6.432 1.00 24.76 C ATOM 1421 C ARG D 22 7.363 17.918 5.772 1.00 29.57 C ATOM 1422 O ARG D 22 6.991 16.761 5.805 1.00 40.00 O ATOM 1423 CB ARG D 22 9.659 18.795 5.355 1.00 24.26 C ATOM 1424 CG ARG D 22 10.452 19.998 5.864 1.00 36.03 C ATOM 1425 CD ARG D 22 11.184 20.654 4.694 1.00 40.00 C ATOM 1426 NE ARG D 22 12.260 19.744 4.218 1.00 40.00 N ATOM 1427 CZ ARG D 22 13.153 20.176 3.371 1.00 40.00 C ATOM 1428 NH1 ARG D 22 12.850 21.124 2.522 1.00 40.00 N ATOM 1429 NH2 ARG D 22 14.352 19.658 3.368 1.00 40.00 N ATOM 0 H ARG D 22 10.168 16.908 6.889 1.00 25.80 H new ATOM 0 HA ARG D 22 8.470 19.185 7.109 1.00 24.76 H new ATOM 0 HB2 ARG D 22 10.335 17.976 5.109 1.00 24.26 H new ATOM 0 HB3 ARG D 22 9.127 19.055 4.440 1.00 24.26 H new ATOM 0 HG2 ARG D 22 9.782 20.716 6.337 1.00 36.03 H new ATOM 0 HG3 ARG D 22 11.167 19.682 6.623 1.00 36.03 H new ATOM 0 HD2 ARG D 22 10.485 20.865 3.885 1.00 40.00 H new ATOM 0 HD3 ARG D 22 11.609 21.608 5.005 1.00 40.00 H new ATOM 0 HE ARG D 22 12.300 18.782 4.554 1.00 40.00 H new ATOM 0 HH11 ARG D 22 11.913 21.528 2.521 1.00 40.00 H new ATOM 0 HH12 ARG D 22 13.551 21.460 1.861 1.00 40.00 H new ATOM 0 HH21 ARG D 22 14.589 18.917 4.027 1.00 40.00 H new ATOM 0 HH22 ARG D 22 15.051 19.995 2.706 1.00 40.00 H new ATOM 1443 N GLY D 23 6.662 18.839 5.171 1.00 24.26 N ATOM 1444 CA GLY D 23 5.378 18.484 4.506 1.00 23.26 C ATOM 1445 C GLY D 23 5.480 18.781 3.014 1.00 23.26 C ATOM 1446 O GLY D 23 6.525 19.147 2.517 1.00 28.47 O ATOM 0 H GLY D 23 6.924 19.823 5.112 1.00 24.26 H new ATOM 0 HA2 GLY D 23 5.154 17.429 4.663 1.00 23.26 H new ATOM 0 HA3 GLY D 23 4.559 19.053 4.946 1.00 23.26 H new ATOM 1450 N PHE D 24 4.404 18.630 2.293 1.00 20.85 N ATOM 1451 CA PHE D 24 4.450 18.909 0.831 1.00 21.32 C ATOM 1452 C PHE D 24 3.034 19.140 0.302 1.00 17.27 C ATOM 1453 O PHE D 24 2.061 18.727 0.900 1.00 20.38 O ATOM 1454 CB PHE D 24 5.087 17.715 0.106 1.00 23.75 C ATOM 1455 CG PHE D 24 4.238 16.477 0.295 1.00 22.28 C ATOM 1456 CD1 PHE D 24 4.168 15.829 1.593 1.00 40.00 C ATOM 1457 CD2 PHE D 24 3.483 15.941 -0.827 1.00 40.00 C ATOM 1458 CE1 PHE D 24 3.344 14.642 1.770 1.00 40.00 C ATOM 1459 CE2 PHE D 24 2.660 14.755 -0.649 1.00 40.00 C ATOM 1460 CZ PHE D 24 2.591 14.106 0.649 1.00 21.79 C ATOM 0 H PHE D 24 3.498 18.327 2.651 1.00 20.85 H new ATOM 0 HA PHE D 24 5.046 19.804 0.651 1.00 21.32 H new ATOM 0 HB2 PHE D 24 5.188 17.937 -0.956 1.00 23.75 H new ATOM 0 HB3 PHE D 24 6.091 17.539 0.492 1.00 23.75 H new ATOM 0 HD1 PHE D 24 4.727 16.228 2.427 1.00 40.00 H new ATOM 0 HD2 PHE D 24 3.534 16.424 -1.792 1.00 40.00 H new ATOM 0 HE1 PHE D 24 3.292 14.160 2.735 1.00 40.00 H new ATOM 0 HE2 PHE D 24 2.100 14.357 -1.482 1.00 40.00 H new ATOM 0 HZ PHE D 24 1.980 13.225 0.781 1.00 21.79 H new ATOM 1470 N PHE D 25 2.915 19.778 -0.822 1.00 14.41 N ATOM 1471 CA PHE D 25 1.566 20.016 -1.403 1.00 12.53 C ATOM 1472 C PHE D 25 1.378 19.075 -2.590 1.00 10.45 C ATOM 1473 O PHE D 25 2.170 19.055 -3.508 1.00 12.90 O ATOM 1474 CB PHE D 25 1.420 21.475 -1.866 1.00 15.20 C ATOM 1475 CG PHE D 25 2.687 21.943 -2.543 1.00 33.61 C ATOM 1476 CD1 PHE D 25 3.741 22.560 -1.754 1.00 40.00 C ATOM 1477 CD2 PHE D 25 2.855 21.773 -3.976 1.00 40.00 C ATOM 1478 CE1 PHE D 25 4.965 23.007 -2.398 1.00 40.00 C ATOM 1479 CE2 PHE D 25 4.079 22.221 -4.623 1.00 40.00 C ATOM 1480 CZ PHE D 25 5.134 22.837 -3.834 1.00 40.00 C ATOM 0 H PHE D 25 3.694 20.147 -1.367 1.00 14.41 H new ATOM 0 HA PHE D 25 0.807 19.826 -0.644 1.00 12.53 H new ATOM 0 HB2 PHE D 25 0.579 21.562 -2.554 1.00 15.20 H new ATOM 0 HB3 PHE D 25 1.200 22.114 -1.011 1.00 15.20 H new ATOM 0 HD1 PHE D 25 3.614 22.686 -0.689 1.00 40.00 H new ATOM 0 HD2 PHE D 25 2.072 21.314 -4.561 1.00 40.00 H new ATOM 0 HE1 PHE D 25 5.748 23.465 -1.812 1.00 40.00 H new ATOM 0 HE2 PHE D 25 4.204 22.096 -5.688 1.00 40.00 H new ATOM 0 HZ PHE D 25 6.043 23.168 -4.314 1.00 40.00 H new ATOM 1490 N TYR D 26 0.344 18.282 -2.570 1.00 10.78 N ATOM 1491 CA TYR D 26 0.114 17.327 -3.689 1.00 10.78 C ATOM 1492 C TYR D 26 -1.144 17.722 -4.460 1.00 10.12 C ATOM 1493 O TYR D 26 -2.239 17.688 -3.938 1.00 11.12 O ATOM 1494 CB TYR D 26 -0.064 15.921 -3.118 1.00 11.46 C ATOM 1495 CG TYR D 26 -0.097 14.917 -4.242 1.00 14.41 C ATOM 1496 CD1 TYR D 26 1.147 14.417 -4.803 1.00 40.00 C ATOM 1497 CD2 TYR D 26 -1.371 14.449 -4.762 1.00 40.00 C ATOM 1498 CE1 TYR D 26 1.118 13.448 -5.887 1.00 40.00 C ATOM 1499 CE2 TYR D 26 -1.401 13.479 -5.846 1.00 40.00 C ATOM 1500 CZ TYR D 26 -0.155 12.980 -6.409 1.00 28.47 C ATOM 1501 OH TYR D 26 -0.180 12.063 -7.440 1.00 39.82 O ATOM 0 H TYR D 26 -0.353 18.254 -1.826 1.00 10.78 H new ATOM 0 HA TYR D 26 0.969 17.349 -4.364 1.00 10.78 H new ATOM 0 HB2 TYR D 26 0.753 15.689 -2.434 1.00 11.46 H new ATOM 0 HB3 TYR D 26 -0.987 15.866 -2.541 1.00 11.46 H new ATOM 0 HD1 TYR D 26 2.093 14.765 -4.415 1.00 40.00 H new ATOM 0 HD2 TYR D 26 -2.295 14.821 -4.344 1.00 40.00 H new ATOM 0 HE1 TYR D 26 2.042 13.076 -6.304 1.00 40.00 H new ATOM 0 HE2 TYR D 26 -2.347 13.130 -6.233 1.00 40.00 H new ATOM 0 HH TYR D 26 -1.074 12.045 -7.840 1.00 39.82 H new ATOM 1511 N THR D 27 -0.998 18.085 -5.703 1.00 14.03 N ATOM 1512 CA THR D 27 -2.185 18.469 -6.513 1.00 16.43 C ATOM 1513 C THR D 27 -2.239 17.595 -7.781 1.00 25.28 C ATOM 1514 O THR D 27 -1.571 17.903 -8.747 1.00 35.41 O ATOM 1515 CB THR D 27 -2.083 19.940 -6.912 1.00 23.26 C ATOM 1516 OG1 THR D 27 -0.733 20.245 -7.227 1.00 40.00 O ATOM 1517 CG2 THR D 27 -2.551 20.821 -5.752 1.00 24.76 C ATOM 0 H THR D 27 -0.105 18.132 -6.194 1.00 14.03 H new ATOM 0 HA THR D 27 -3.090 18.319 -5.924 1.00 16.43 H new ATOM 0 HB THR D 27 -2.713 20.128 -7.781 1.00 23.26 H new ATOM 0 HG1 THR D 27 -0.400 19.607 -7.892 1.00 40.00 H new ATOM 0 HG21 THR D 27 -2.477 21.870 -6.039 1.00 24.76 H new ATOM 0 HG22 THR D 27 -3.587 20.583 -5.509 1.00 24.76 H new ATOM 0 HG23 THR D 27 -1.923 20.638 -4.880 1.00 24.76 H new ATOM 1525 N PRO D 28 -3.026 16.521 -7.764 1.00 30.13 N ATOM 1526 CA PRO D 28 -3.132 15.628 -8.930 1.00 40.00 C ATOM 1527 C PRO D 28 -4.073 16.241 -9.967 1.00 40.00 C ATOM 1528 O PRO D 28 -5.091 15.673 -10.310 1.00 40.00 O ATOM 1529 CB PRO D 28 -3.726 14.340 -8.358 1.00 40.00 C ATOM 1530 CG PRO D 28 -4.452 14.734 -7.051 1.00 40.00 C ATOM 1531 CD PRO D 28 -3.871 16.092 -6.615 1.00 30.13 C ATOM 0 HA PRO D 28 -2.178 15.459 -9.429 1.00 40.00 H new ATOM 0 HB2 PRO D 28 -4.420 13.885 -9.065 1.00 40.00 H new ATOM 0 HB3 PRO D 28 -2.944 13.606 -8.162 1.00 40.00 H new ATOM 0 HG2 PRO D 28 -5.528 14.807 -7.212 1.00 40.00 H new ATOM 0 HG3 PRO D 28 -4.296 13.980 -6.279 1.00 40.00 H new ATOM 0 HD2 PRO D 28 -4.661 16.815 -6.411 1.00 30.13 H new ATOM 0 HD3 PRO D 28 -3.282 15.998 -5.703 1.00 30.13 H new ATOM 1539 N LYS D 29 -3.746 17.400 -10.461 1.00 40.00 N ATOM 1540 CA LYS D 29 -4.624 18.050 -11.467 1.00 40.00 C ATOM 1541 C LYS D 29 -3.787 18.977 -12.344 1.00 40.00 C ATOM 1542 O LYS D 29 -3.368 20.040 -11.921 1.00 40.00 O ATOM 1543 CB LYS D 29 -5.703 18.863 -10.750 1.00 40.00 C ATOM 1544 CG LYS D 29 -6.679 19.434 -11.780 1.00 40.00 C ATOM 1545 CD LYS D 29 -7.514 20.540 -11.129 1.00 40.00 C ATOM 1546 CE LYS D 29 -7.673 21.703 -12.112 1.00 40.00 C ATOM 1547 NZ LYS D 29 -7.295 22.978 -11.438 1.00 40.00 N ATOM 0 H LYS D 29 -2.908 17.925 -10.211 1.00 40.00 H new ATOM 0 HA LYS D 29 -5.096 17.288 -12.088 1.00 40.00 H new ATOM 0 HB2 LYS D 29 -6.236 18.232 -10.038 1.00 40.00 H new ATOM 0 HB3 LYS D 29 -5.246 19.671 -10.179 1.00 40.00 H new ATOM 0 HG2 LYS D 29 -6.132 19.831 -12.635 1.00 40.00 H new ATOM 0 HG3 LYS D 29 -7.330 18.645 -12.157 1.00 40.00 H new ATOM 0 HD2 LYS D 29 -8.493 20.153 -10.845 1.00 40.00 H new ATOM 0 HD3 LYS D 29 -7.031 20.885 -10.215 1.00 40.00 H new ATOM 0 HE2 LYS D 29 -7.044 21.542 -12.988 1.00 40.00 H new ATOM 0 HE3 LYS D 29 -8.703 21.757 -12.465 1.00 40.00 H new ATOM 0 HZ1 LYS D 29 -7.403 23.769 -12.105 1.00 40.00 H new ATOM 0 HZ2 LYS D 29 -7.913 23.132 -10.616 1.00 40.00 H new ATOM 0 HZ3 LYS D 29 -6.306 22.924 -11.122 1.00 40.00 H new ATOM 1561 N THR D 30 -3.540 18.586 -13.564 1.00 40.00 N ATOM 1562 CA THR D 30 -2.729 19.445 -14.475 1.00 40.00 C ATOM 1563 C THR D 30 -3.377 20.830 -14.571 1.00 40.00 C ATOM 1564 O THR D 30 -4.468 20.916 -15.115 1.00 40.00 O ATOM 1565 CB THR D 30 -2.669 18.810 -15.873 1.00 40.00 C ATOM 1566 OG1 THR D 30 -3.268 17.517 -15.841 1.00 40.00 O ATOM 1567 CG2 THR D 30 -1.207 18.689 -16.314 1.00 40.00 C ATOM 1568 OXT THR D 30 -2.772 21.780 -14.096 1.00 40.00 O ATOM 0 H THR D 30 -3.865 17.709 -13.970 1.00 40.00 H new ATOM 0 HA THR D 30 -1.717 19.538 -14.080 1.00 40.00 H new ATOM 0 HB THR D 30 -3.212 19.438 -16.579 1.00 40.00 H new ATOM 0 HG1 THR D 30 -3.229 17.116 -16.735 1.00 40.00 H new ATOM 0 HG21 THR D 30 -1.162 18.239 -17.306 1.00 40.00 H new ATOM 0 HG22 THR D 30 -0.753 19.679 -16.344 1.00 40.00 H new ATOM 0 HG23 THR D 30 -0.664 18.063 -15.606 1.00 40.00 H new TER 1576 THR D 30 ATOM 1577 N GLY E 1 -14.357 -11.596 14.454 1.00 40.00 N ATOM 1578 CA GLY E 1 -14.799 -12.224 13.176 1.00 40.00 C ATOM 1579 C GLY E 1 -13.584 -12.463 12.277 1.00 40.00 C ATOM 1580 O GLY E 1 -13.029 -13.545 12.238 1.00 40.00 O ATOM 0 H1 GLY E 1 -15.183 -11.434 15.065 1.00 40.00 H new ATOM 0 H2 GLY E 1 -13.687 -12.228 14.938 1.00 40.00 H new ATOM 0 H3 GLY E 1 -13.892 -10.688 14.252 1.00 40.00 H new ATOM 0 HA2 GLY E 1 -15.306 -13.167 13.378 1.00 40.00 H new ATOM 0 HA3 GLY E 1 -15.517 -11.578 12.671 1.00 40.00 H new ATOM 1586 N ILE E 2 -13.165 -11.462 11.554 1.00 33.61 N ATOM 1587 CA ILE E 2 -11.988 -11.631 10.658 1.00 25.80 C ATOM 1588 C ILE E 2 -10.992 -10.503 10.922 1.00 21.32 C ATOM 1589 O ILE E 2 -9.799 -10.716 10.985 1.00 22.76 O ATOM 1590 CB ILE E 2 -12.448 -11.573 9.203 1.00 27.38 C ATOM 1591 CG1 ILE E 2 -11.239 -11.722 8.276 1.00 27.38 C ATOM 1592 CG2 ILE E 2 -13.129 -10.230 8.935 1.00 32.43 C ATOM 1593 CD1 ILE E 2 -11.713 -11.748 6.821 1.00 34.81 C ATOM 0 H ILE E 2 -13.587 -10.534 11.545 1.00 33.61 H new ATOM 0 HA ILE E 2 -11.513 -12.593 10.851 1.00 25.80 H new ATOM 0 HB ILE E 2 -13.152 -12.383 9.015 1.00 27.38 H new ATOM 0 HG12 ILE E 2 -10.546 -10.895 8.429 1.00 27.38 H new ATOM 0 HG13 ILE E 2 -10.698 -12.639 8.510 1.00 27.38 H new ATOM 0 HG21 ILE E 2 -13.457 -10.189 7.896 1.00 32.43 H new ATOM 0 HG22 ILE E 2 -13.992 -10.122 9.593 1.00 32.43 H new ATOM 0 HG23 ILE E 2 -12.424 -9.420 9.125 1.00 32.43 H new ATOM 0 HD11 ILE E 2 -10.853 -11.854 6.160 1.00 34.81 H new ATOM 0 HD12 ILE E 2 -12.390 -12.590 6.674 1.00 34.81 H new ATOM 0 HD13 ILE E 2 -12.234 -10.819 6.592 1.00 34.81 H new ATOM 1605 N VAL E 3 -11.477 -9.304 11.076 1.00 24.76 N ATOM 1606 CA VAL E 3 -10.563 -8.159 11.334 1.00 29.57 C ATOM 1607 C VAL E 3 -9.862 -8.361 12.674 1.00 33.01 C ATOM 1608 O VAL E 3 -8.652 -8.423 12.756 1.00 40.00 O ATOM 1609 CB VAL E 3 -11.373 -6.864 11.381 1.00 40.00 C ATOM 1610 CG1 VAL E 3 -10.417 -5.671 11.467 1.00 40.00 C ATOM 1611 CG2 VAL E 3 -12.222 -6.747 10.113 1.00 40.00 C ATOM 0 H VAL E 3 -12.468 -9.067 11.034 1.00 24.76 H new ATOM 0 HA VAL E 3 -9.821 -8.100 10.537 1.00 29.57 H new ATOM 0 HB VAL E 3 -12.025 -6.873 12.254 1.00 40.00 H new ATOM 0 HG11 VAL E 3 -10.992 -4.746 11.501 1.00 40.00 H new ATOM 0 HG12 VAL E 3 -9.811 -5.755 12.369 1.00 40.00 H new ATOM 0 HG13 VAL E 3 -9.766 -5.662 10.592 1.00 40.00 H new ATOM 0 HG21 VAL E 3 -12.800 -5.823 10.146 1.00 40.00 H new ATOM 0 HG22 VAL E 3 -11.571 -6.737 9.239 1.00 40.00 H new ATOM 0 HG23 VAL E 3 -12.901 -7.598 10.050 1.00 40.00 H new ATOM 1621 N GLU E 4 -10.619 -8.454 13.725 1.00 39.17 N ATOM 1622 CA GLU E 4 -10.014 -8.642 15.071 1.00 40.00 C ATOM 1623 C GLU E 4 -9.240 -9.963 15.130 1.00 39.17 C ATOM 1624 O GLU E 4 -8.436 -10.178 16.016 1.00 40.00 O ATOM 1625 CB GLU E 4 -11.133 -8.666 16.113 1.00 40.00 C ATOM 1626 CG GLU E 4 -10.528 -8.660 17.516 1.00 40.00 C ATOM 1627 CD GLU E 4 -11.654 -8.714 18.549 1.00 40.00 C ATOM 1628 OE1 GLU E 4 -12.692 -9.279 18.236 1.00 40.00 O ATOM 1629 OE2 GLU E 4 -11.461 -8.188 19.635 1.00 40.00 O ATOM 0 H GLU E 4 -11.638 -8.408 13.712 1.00 39.17 H new ATOM 0 HA GLU E 4 -9.324 -7.823 15.273 1.00 40.00 H new ATOM 0 HB2 GLU E 4 -11.783 -7.801 15.983 1.00 40.00 H new ATOM 0 HB3 GLU E 4 -11.752 -9.553 15.977 1.00 40.00 H new ATOM 0 HG2 GLU E 4 -9.862 -9.514 17.641 1.00 40.00 H new ATOM 0 HG3 GLU E 4 -9.927 -7.762 17.662 1.00 40.00 H new ATOM 1636 N GLN E 5 -9.481 -10.859 14.214 1.00 29.57 N ATOM 1637 CA GLN E 5 -8.767 -12.163 14.250 1.00 26.32 C ATOM 1638 C GLN E 5 -7.464 -12.087 13.449 1.00 19.02 C ATOM 1639 O GLN E 5 -6.462 -12.654 13.834 1.00 23.75 O ATOM 1640 CB GLN E 5 -9.668 -13.237 13.642 1.00 34.20 C ATOM 1641 CG GLN E 5 -8.975 -14.596 13.724 1.00 26.85 C ATOM 1642 CD GLN E 5 -9.757 -15.612 12.891 1.00 26.32 C ATOM 1643 OE1 GLN E 5 -9.114 -16.402 12.075 1.00 34.81 O flip ATOM 1644 NE2 GLN E 5 -10.965 -15.686 12.982 1.00 30.70 N flip ATOM 0 H GLN E 5 -10.140 -10.744 13.444 1.00 29.57 H new ATOM 0 HA GLN E 5 -8.527 -12.408 15.285 1.00 26.32 H new ATOM 0 HB2 GLN E 5 -10.620 -13.270 14.173 1.00 34.20 H new ATOM 0 HB3 GLN E 5 -9.891 -12.993 12.603 1.00 34.20 H new ATOM 0 HG2 GLN E 5 -7.952 -14.518 13.357 1.00 26.85 H new ATOM 0 HG3 GLN E 5 -8.917 -14.926 14.761 1.00 26.85 H new ATOM 0 HE21 GLN E 5 -11.467 -15.068 13.620 1.00 30.70 H new ATOM 0 HE22 GLN E 5 -11.478 -16.366 12.421 1.00 30.70 H new ATOM 1653 N CYS E 6 -7.470 -11.421 12.326 1.00 14.80 N ATOM 1654 CA CYS E 6 -6.230 -11.359 11.503 1.00 12.53 C ATOM 1655 C CYS E 6 -5.470 -10.057 11.740 1.00 13.64 C ATOM 1656 O CYS E 6 -4.302 -9.962 11.415 1.00 17.70 O ATOM 1657 CB CYS E 6 -6.595 -11.480 10.024 1.00 12.90 C ATOM 1658 SG CYS E 6 -7.561 -12.990 9.756 1.00 15.60 S ATOM 0 H CYS E 6 -8.274 -10.921 11.946 1.00 14.80 H new ATOM 0 HA CYS E 6 -5.583 -12.186 11.796 1.00 12.53 H new ATOM 0 HB2 CYS E 6 -7.169 -10.609 9.708 1.00 12.90 H new ATOM 0 HB3 CYS E 6 -5.690 -11.503 9.417 1.00 12.90 H new ATOM 1663 N CYS E 7 -6.097 -9.058 12.306 1.00 16.43 N ATOM 1664 CA CYS E 7 -5.359 -7.784 12.554 1.00 20.85 C ATOM 1665 C CYS E 7 -4.828 -7.764 13.992 1.00 22.28 C ATOM 1666 O CYS E 7 -4.543 -6.725 14.552 1.00 37.90 O ATOM 1667 CB CYS E 7 -6.271 -6.584 12.321 1.00 24.76 C ATOM 1668 SG CYS E 7 -5.258 -5.085 12.330 1.00 33.61 S ATOM 0 H CYS E 7 -7.073 -9.068 12.603 1.00 16.43 H new ATOM 0 HA CYS E 7 -4.522 -7.724 11.859 1.00 20.85 H new ATOM 0 HB2 CYS E 7 -6.792 -6.683 11.369 1.00 24.76 H new ATOM 0 HB3 CYS E 7 -7.034 -6.531 13.098 1.00 24.76 H new ATOM 1673 N THR E 8 -4.664 -8.909 14.588 1.00 21.32 N ATOM 1674 CA THR E 8 -4.124 -8.955 15.972 1.00 24.26 C ATOM 1675 C THR E 8 -2.747 -9.610 15.919 1.00 28.47 C ATOM 1676 O THR E 8 -1.799 -9.154 16.527 1.00 40.00 O ATOM 1677 CB THR E 8 -5.056 -9.778 16.860 1.00 28.47 C ATOM 1678 OG1 THR E 8 -5.499 -10.922 16.144 1.00 40.00 O ATOM 1679 CG2 THR E 8 -6.261 -8.928 17.260 1.00 40.00 C ATOM 0 H THR E 8 -4.881 -9.816 14.176 1.00 21.32 H new ATOM 0 HA THR E 8 -4.048 -7.949 16.385 1.00 24.26 H new ATOM 0 HB THR E 8 -4.522 -10.093 17.756 1.00 28.47 H new ATOM 0 HG1 THR E 8 -6.467 -10.863 16.000 1.00 40.00 H new ATOM 0 HG21 THR E 8 -6.926 -9.515 17.893 1.00 40.00 H new ATOM 0 HG22 THR E 8 -5.921 -8.049 17.807 1.00 40.00 H new ATOM 0 HG23 THR E 8 -6.797 -8.613 16.365 1.00 40.00 H new ATOM 1687 N SER E 9 -2.634 -10.674 15.176 1.00 24.26 N ATOM 1688 CA SER E 9 -1.326 -11.372 15.052 1.00 34.20 C ATOM 1689 C SER E 9 -1.264 -12.068 13.692 1.00 27.92 C ATOM 1690 O SER E 9 -0.598 -13.069 13.527 1.00 40.00 O ATOM 1691 CB SER E 9 -1.195 -12.410 16.167 1.00 40.00 C ATOM 1692 OG SER E 9 -1.789 -11.898 17.353 1.00 40.00 O ATOM 0 H SER E 9 -3.398 -11.093 14.645 1.00 24.26 H new ATOM 0 HA SER E 9 -0.511 -10.653 15.135 1.00 34.20 H new ATOM 0 HB2 SER E 9 -1.682 -13.340 15.874 1.00 40.00 H new ATOM 0 HB3 SER E 9 -0.145 -12.642 16.343 1.00 40.00 H new ATOM 0 HG SER E 9 -1.709 -12.560 18.071 1.00 40.00 H new ATOM 1698 N ILE E 10 -1.961 -11.537 12.721 1.00 20.38 N ATOM 1699 CA ILE E 10 -1.961 -12.145 11.358 1.00 16.84 C ATOM 1700 C ILE E 10 -2.547 -13.559 11.405 1.00 15.20 C ATOM 1701 O ILE E 10 -2.192 -14.370 12.234 1.00 20.38 O ATOM 1702 CB ILE E 10 -0.529 -12.186 10.813 1.00 20.85 C ATOM 1703 CG1 ILE E 10 0.003 -10.757 10.705 1.00 26.32 C ATOM 1704 CG2 ILE E 10 -0.520 -12.833 9.426 1.00 19.02 C ATOM 1705 CD1 ILE E 10 0.835 -10.428 11.945 1.00 37.27 C ATOM 0 H ILE E 10 -2.536 -10.700 12.816 1.00 20.38 H new ATOM 0 HA ILE E 10 -2.579 -11.536 10.698 1.00 16.84 H new ATOM 0 HB ILE E 10 0.099 -12.769 11.486 1.00 20.85 H new ATOM 0 HG12 ILE E 10 0.612 -10.651 9.807 1.00 26.32 H new ATOM 0 HG13 ILE E 10 -0.826 -10.055 10.613 1.00 26.32 H new ATOM 0 HG21 ILE E 10 0.500 -12.859 9.043 1.00 19.02 H new ATOM 0 HG22 ILE E 10 -0.908 -13.849 9.496 1.00 19.02 H new ATOM 0 HG23 ILE E 10 -1.146 -12.252 8.749 1.00 19.02 H new ATOM 0 HD11 ILE E 10 1.215 -9.409 11.869 1.00 37.27 H new ATOM 0 HD12 ILE E 10 0.212 -10.517 12.835 1.00 37.27 H new ATOM 0 HD13 ILE E 10 1.672 -11.123 12.016 1.00 37.27 H new ATOM 1717 N CYS E 11 -3.442 -13.856 10.500 1.00 12.17 N ATOM 1718 CA CYS E 11 -4.056 -15.209 10.460 1.00 13.27 C ATOM 1719 C CYS E 11 -3.149 -16.142 9.660 1.00 14.80 C ATOM 1720 O CYS E 11 -2.185 -15.718 9.057 1.00 16.43 O ATOM 1721 CB CYS E 11 -5.418 -15.130 9.764 1.00 14.41 C ATOM 1722 SG CYS E 11 -6.638 -14.398 10.880 1.00 15.60 S ATOM 0 H CYS E 11 -3.774 -13.212 9.783 1.00 12.17 H new ATOM 0 HA CYS E 11 -4.182 -15.584 11.476 1.00 13.27 H new ATOM 0 HB2 CYS E 11 -5.338 -14.532 8.856 1.00 14.41 H new ATOM 0 HB3 CYS E 11 -5.740 -16.127 9.462 1.00 14.41 H new ATOM 1727 N SER E 12 -3.455 -17.409 9.640 1.00 16.84 N ATOM 1728 CA SER E 12 -2.614 -18.364 8.867 1.00 19.92 C ATOM 1729 C SER E 12 -3.156 -18.471 7.445 1.00 19.92 C ATOM 1730 O SER E 12 -4.290 -18.125 7.174 1.00 18.57 O ATOM 1731 CB SER E 12 -2.658 -19.741 9.529 1.00 23.75 C ATOM 1732 OG SER E 12 -1.931 -19.695 10.750 1.00 40.00 O ATOM 0 H SER E 12 -4.250 -17.824 10.125 1.00 16.84 H new ATOM 0 HA SER E 12 -1.585 -18.006 8.845 1.00 19.92 H new ATOM 0 HB2 SER E 12 -3.691 -20.035 9.717 1.00 23.75 H new ATOM 0 HB3 SER E 12 -2.229 -20.491 8.865 1.00 23.75 H new ATOM 0 HG SER E 12 -1.957 -20.575 11.180 1.00 40.00 H new ATOM 1738 N LEU E 13 -2.359 -18.948 6.534 1.00 22.76 N ATOM 1739 CA LEU E 13 -2.827 -19.078 5.128 1.00 24.76 C ATOM 1740 C LEU E 13 -4.111 -19.909 5.083 1.00 25.28 C ATOM 1741 O LEU E 13 -5.040 -19.590 4.369 1.00 24.76 O ATOM 1742 CB LEU E 13 -1.740 -19.767 4.304 1.00 31.85 C ATOM 1743 CG LEU E 13 -2.147 -19.782 2.832 1.00 35.41 C ATOM 1744 CD1 LEU E 13 -0.910 -19.567 1.962 1.00 40.00 C ATOM 1745 CD2 LEU E 13 -2.778 -21.135 2.493 1.00 40.00 C ATOM 0 H LEU E 13 -1.401 -19.255 6.702 1.00 22.76 H new ATOM 0 HA LEU E 13 -3.031 -18.089 4.717 1.00 24.76 H new ATOM 0 HB2 LEU E 13 -0.791 -19.244 4.424 1.00 31.85 H new ATOM 0 HB3 LEU E 13 -1.590 -20.786 4.661 1.00 31.85 H new ATOM 0 HG LEU E 13 -2.868 -18.986 2.644 1.00 35.41 H new ATOM 0 HD11 LEU E 13 -1.198 -19.577 0.911 1.00 40.00 H new ATOM 0 HD12 LEU E 13 -0.457 -18.606 2.205 1.00 40.00 H new ATOM 0 HD13 LEU E 13 -0.191 -20.364 2.149 1.00 40.00 H new ATOM 0 HD21 LEU E 13 -3.069 -21.148 1.443 1.00 40.00 H new ATOM 0 HD22 LEU E 13 -2.056 -21.930 2.679 1.00 40.00 H new ATOM 0 HD23 LEU E 13 -3.659 -21.292 3.116 1.00 40.00 H new ATOM 1757 N TYR E 14 -4.174 -20.974 5.833 1.00 28.47 N ATOM 1758 CA TYR E 14 -5.402 -21.823 5.819 1.00 32.43 C ATOM 1759 C TYR E 14 -6.561 -21.073 6.472 1.00 28.47 C ATOM 1760 O TYR E 14 -7.700 -21.207 6.075 1.00 31.27 O ATOM 1761 CB TYR E 14 -5.142 -23.112 6.598 1.00 40.00 C ATOM 1762 CG TYR E 14 -4.016 -23.870 5.944 1.00 40.00 C ATOM 1763 CD1 TYR E 14 -2.638 -23.557 6.283 1.00 40.00 C ATOM 1764 CD2 TYR E 14 -4.309 -24.907 4.968 1.00 40.00 C ATOM 1765 CE1 TYR E 14 -1.551 -24.282 5.647 1.00 40.00 C ATOM 1766 CE2 TYR E 14 -3.222 -25.632 4.328 1.00 40.00 C ATOM 1767 CZ TYR E 14 -1.841 -25.319 4.669 1.00 40.00 C ATOM 1768 OH TYR E 14 -0.807 -26.005 4.061 1.00 40.00 O ATOM 0 H TYR E 14 -3.431 -21.294 6.454 1.00 28.47 H new ATOM 0 HA TYR E 14 -5.657 -22.059 4.786 1.00 32.43 H new ATOM 0 HB2 TYR E 14 -4.887 -22.880 7.632 1.00 40.00 H new ATOM 0 HB3 TYR E 14 -6.043 -23.725 6.621 1.00 40.00 H new ATOM 0 HD1 TYR E 14 -2.422 -22.786 7.007 1.00 40.00 H new ATOM 0 HD2 TYR E 14 -5.334 -25.139 4.718 1.00 40.00 H new ATOM 0 HE1 TYR E 14 -0.527 -24.051 5.901 1.00 40.00 H new ATOM 0 HE2 TYR E 14 -3.439 -26.401 3.601 1.00 40.00 H new ATOM 0 HH TYR E 14 -1.175 -26.664 3.435 1.00 40.00 H new ATOM 1778 N GLN E 15 -6.284 -20.294 7.477 1.00 24.76 N ATOM 1779 CA GLN E 15 -7.377 -19.551 8.157 1.00 23.75 C ATOM 1780 C GLN E 15 -8.009 -18.561 7.181 1.00 19.92 C ATOM 1781 O GLN E 15 -9.196 -18.306 7.223 1.00 21.79 O ATOM 1782 CB GLN E 15 -6.804 -18.792 9.353 1.00 23.26 C ATOM 1783 CG GLN E 15 -6.945 -19.647 10.611 1.00 29.02 C ATOM 1784 CD GLN E 15 -6.262 -18.942 11.781 1.00 26.32 C ATOM 1785 OE1 GLN E 15 -5.050 -18.925 11.870 1.00 40.00 O ATOM 1786 NE2 GLN E 15 -6.991 -18.352 12.686 1.00 40.00 N ATOM 0 H GLN E 15 -5.350 -20.140 7.856 1.00 24.76 H new ATOM 0 HA GLN E 15 -8.136 -20.254 8.499 1.00 23.75 H new ATOM 0 HB2 GLN E 15 -5.755 -18.553 9.178 1.00 23.26 H new ATOM 0 HB3 GLN E 15 -7.329 -17.845 9.482 1.00 23.26 H new ATOM 0 HG2 GLN E 15 -7.999 -19.812 10.836 1.00 29.02 H new ATOM 0 HG3 GLN E 15 -6.496 -20.627 10.450 1.00 29.02 H new ATOM 0 HE21 GLN E 15 -8.008 -18.367 12.611 1.00 40.00 H new ATOM 0 HE22 GLN E 15 -6.544 -17.876 13.470 1.00 40.00 H new ATOM 1795 N LEU E 16 -7.226 -17.993 6.306 1.00 17.27 N ATOM 1796 CA LEU E 16 -7.784 -17.011 5.334 1.00 15.20 C ATOM 1797 C LEU E 16 -8.702 -17.727 4.341 1.00 18.57 C ATOM 1798 O LEU E 16 -9.691 -17.182 3.893 1.00 20.38 O ATOM 1799 CB LEU E 16 -6.635 -16.339 4.582 1.00 13.64 C ATOM 1800 CG LEU E 16 -5.754 -15.578 5.575 1.00 12.90 C ATOM 1801 CD1 LEU E 16 -4.524 -15.024 4.855 1.00 14.80 C ATOM 1802 CD2 LEU E 16 -6.550 -14.423 6.182 1.00 12.90 C ATOM 0 H LEU E 16 -6.224 -18.166 6.222 1.00 17.27 H new ATOM 0 HA LEU E 16 -8.361 -16.257 5.870 1.00 15.20 H new ATOM 0 HB2 LEU E 16 -6.044 -17.088 4.054 1.00 13.64 H new ATOM 0 HB3 LEU E 16 -7.029 -15.655 3.830 1.00 13.64 H new ATOM 0 HG LEU E 16 -5.434 -16.257 6.366 1.00 12.90 H new ATOM 0 HD11 LEU E 16 -3.899 -14.483 5.566 1.00 14.80 H new ATOM 0 HD12 LEU E 16 -3.954 -15.847 4.424 1.00 14.80 H new ATOM 0 HD13 LEU E 16 -4.841 -14.347 4.062 1.00 14.80 H new ATOM 0 HD21 LEU E 16 -5.923 -13.881 6.889 1.00 12.90 H new ATOM 0 HD22 LEU E 16 -6.872 -13.747 5.390 1.00 12.90 H new ATOM 0 HD23 LEU E 16 -7.424 -14.817 6.700 1.00 12.90 H new ATOM 1814 N GLU E 17 -8.384 -18.944 3.993 1.00 20.85 N ATOM 1815 CA GLU E 17 -9.241 -19.692 3.028 1.00 26.32 C ATOM 1816 C GLU E 17 -10.670 -19.791 3.561 1.00 29.57 C ATOM 1817 O GLU E 17 -11.625 -19.760 2.813 1.00 34.81 O ATOM 1818 CB GLU E 17 -8.678 -21.097 2.834 1.00 31.85 C ATOM 1819 CG GLU E 17 -7.679 -21.087 1.680 1.00 40.00 C ATOM 1820 CD GLU E 17 -7.508 -22.509 1.147 1.00 40.00 C ATOM 1821 OE1 GLU E 17 -8.471 -23.038 0.611 1.00 40.00 O ATOM 1822 OE2 GLU E 17 -6.421 -23.048 1.288 1.00 40.00 O ATOM 0 H GLU E 17 -7.569 -19.453 4.335 1.00 20.85 H new ATOM 0 HA GLU E 17 -9.250 -19.161 2.076 1.00 26.32 H new ATOM 0 HB2 GLU E 17 -8.191 -21.435 3.749 1.00 31.85 H new ATOM 0 HB3 GLU E 17 -9.485 -21.799 2.625 1.00 31.85 H new ATOM 0 HG2 GLU E 17 -8.030 -20.428 0.886 1.00 40.00 H new ATOM 0 HG3 GLU E 17 -6.720 -20.695 2.018 1.00 40.00 H new ATOM 1829 N ASN E 18 -10.830 -19.918 4.849 1.00 30.13 N ATOM 1830 CA ASN E 18 -12.203 -20.027 5.425 1.00 36.65 C ATOM 1831 C ASN E 18 -13.057 -18.845 4.961 1.00 33.01 C ATOM 1832 O ASN E 18 -14.254 -18.961 4.790 1.00 37.27 O ATOM 1833 CB ASN E 18 -12.115 -20.017 6.951 1.00 40.00 C ATOM 1834 CG ASN E 18 -11.292 -21.218 7.420 1.00 37.90 C ATOM 1835 OD1 ASN E 18 -10.219 -21.471 6.905 1.00 40.00 O ATOM 1836 ND2 ASN E 18 -11.749 -21.972 8.380 1.00 40.00 N ATOM 0 H ASN E 18 -10.070 -19.951 5.529 1.00 30.13 H new ATOM 0 HA ASN E 18 -12.661 -20.957 5.087 1.00 36.65 H new ATOM 0 HB2 ASN E 18 -11.654 -19.090 7.294 1.00 40.00 H new ATOM 0 HB3 ASN E 18 -13.114 -20.055 7.384 1.00 40.00 H new ATOM 0 HD21 ASN E 18 -11.207 -22.775 8.700 1.00 40.00 H new ATOM 0 HD22 ASN E 18 -12.649 -21.759 8.811 1.00 40.00 H new ATOM 1843 N TYR E 19 -12.452 -17.709 4.758 1.00 28.47 N ATOM 1844 CA TYR E 19 -13.231 -16.522 4.306 1.00 27.92 C ATOM 1845 C TYR E 19 -13.287 -16.471 2.771 1.00 26.85 C ATOM 1846 O TYR E 19 -14.058 -15.724 2.200 1.00 40.00 O ATOM 1847 CB TYR E 19 -12.564 -15.253 4.837 1.00 27.38 C ATOM 1848 CG TYR E 19 -12.381 -15.380 6.330 1.00 26.85 C ATOM 1849 CD1 TYR E 19 -13.441 -14.957 7.231 1.00 40.00 C ATOM 1850 CD2 TYR E 19 -11.145 -15.927 6.867 1.00 40.00 C ATOM 1851 CE1 TYR E 19 -13.267 -15.083 8.669 1.00 40.00 C ATOM 1852 CE2 TYR E 19 -10.970 -16.051 8.305 1.00 40.00 C ATOM 1853 CZ TYR E 19 -12.030 -15.630 9.206 1.00 30.70 C ATOM 1854 OH TYR E 19 -11.864 -15.751 10.571 1.00 34.81 O ATOM 0 H TYR E 19 -11.452 -17.550 4.885 1.00 28.47 H new ATOM 0 HA TYR E 19 -14.249 -16.595 4.690 1.00 27.92 H new ATOM 0 HB2 TYR E 19 -11.600 -15.103 4.351 1.00 27.38 H new ATOM 0 HB3 TYR E 19 -13.176 -14.381 4.606 1.00 27.38 H new ATOM 0 HD1 TYR E 19 -14.358 -14.549 6.832 1.00 40.00 H new ATOM 0 HD2 TYR E 19 -10.358 -16.241 6.198 1.00 40.00 H new ATOM 0 HE1 TYR E 19 -14.055 -14.771 9.338 1.00 40.00 H new ATOM 0 HE2 TYR E 19 -10.052 -16.456 8.704 1.00 40.00 H new ATOM 0 HH TYR E 19 -12.319 -15.010 11.023 1.00 34.81 H new ATOM 1864 N CYS E 20 -12.483 -17.248 2.091 1.00 22.28 N ATOM 1865 CA CYS E 20 -12.509 -17.223 0.603 1.00 24.26 C ATOM 1866 C CYS E 20 -13.927 -17.508 0.109 1.00 32.43 C ATOM 1867 O CYS E 20 -14.723 -18.123 0.789 1.00 40.00 O ATOM 1868 CB CYS E 20 -11.561 -18.292 0.064 1.00 23.75 C ATOM 1869 SG CYS E 20 -11.065 -17.857 -1.617 1.00 29.57 S ATOM 0 H CYS E 20 -11.812 -17.896 2.503 1.00 22.28 H new ATOM 0 HA CYS E 20 -12.194 -16.241 0.251 1.00 24.26 H new ATOM 0 HB2 CYS E 20 -10.683 -18.373 0.705 1.00 23.75 H new ATOM 0 HB3 CYS E 20 -12.051 -19.266 0.070 1.00 23.75 H new ATOM 1874 N ASN E 21 -14.246 -17.065 -1.072 1.00 25.28 N ATOM 1875 CA ASN E 21 -15.609 -17.303 -1.619 1.00 35.41 C ATOM 1876 C ASN E 21 -15.642 -18.650 -2.342 1.00 40.00 C ATOM 1877 O ASN E 21 -15.890 -19.647 -1.684 1.00 40.00 O ATOM 1878 CB ASN E 21 -15.958 -16.188 -2.604 1.00 40.00 C ATOM 1879 CG ASN E 21 -17.358 -16.430 -3.169 1.00 40.00 C ATOM 1880 OD1 ASN E 21 -17.585 -17.401 -3.864 1.00 40.00 O ATOM 1881 ND2 ASN E 21 -18.313 -15.582 -2.898 1.00 40.00 N ATOM 1882 OXT ASN E 21 -15.421 -18.660 -3.541 1.00 40.00 O ATOM 0 H ASN E 21 -13.619 -16.545 -1.686 1.00 25.28 H new ATOM 0 HA ASN E 21 -16.333 -17.312 -0.804 1.00 35.41 H new ATOM 0 HB2 ASN E 21 -15.918 -15.220 -2.104 1.00 40.00 H new ATOM 0 HB3 ASN E 21 -15.227 -16.160 -3.412 1.00 40.00 H new ATOM 0 HD21 ASN E 21 -19.251 -15.734 -3.270 1.00 40.00 H new ATOM 0 HD22 ASN E 21 -18.121 -14.767 -2.315 1.00 40.00 H new TER 1889 ASN E 21 ATOM 1890 N PHE F 1 -2.544 4.620 16.187 1.00 40.00 N ATOM 1891 CA PHE F 1 -2.672 3.144 16.016 1.00 40.00 C ATOM 1892 C PHE F 1 -3.968 2.830 15.245 1.00 40.00 C ATOM 1893 O PHE F 1 -4.529 1.759 15.371 1.00 40.00 O ATOM 1894 CB PHE F 1 -2.701 2.471 17.404 1.00 40.00 C ATOM 1895 CG PHE F 1 -3.949 2.880 18.165 1.00 40.00 C ATOM 1896 CD1 PHE F 1 -4.094 4.241 18.655 1.00 40.00 C ATOM 1897 CD2 PHE F 1 -5.012 1.911 18.384 1.00 40.00 C ATOM 1898 CE1 PHE F 1 -5.300 4.633 19.368 1.00 40.00 C ATOM 1899 CE2 PHE F 1 -6.217 2.302 19.099 1.00 40.00 C ATOM 1900 CZ PHE F 1 -6.362 3.663 19.591 1.00 40.00 C ATOM 0 H1 PHE F 1 -1.687 4.833 16.737 1.00 40.00 H new ATOM 0 H2 PHE F 1 -2.478 5.073 15.253 1.00 40.00 H new ATOM 0 H3 PHE F 1 -3.378 4.985 16.690 1.00 40.00 H new ATOM 0 HA PHE F 1 -1.822 2.760 15.452 1.00 40.00 H new ATOM 0 HB2 PHE F 1 -2.676 1.387 17.290 1.00 40.00 H new ATOM 0 HB3 PHE F 1 -1.813 2.753 17.970 1.00 40.00 H new ATOM 0 HD1 PHE F 1 -3.306 4.961 18.490 1.00 40.00 H new ATOM 0 HD2 PHE F 1 -4.906 0.901 18.016 1.00 40.00 H new ATOM 0 HE1 PHE F 1 -5.407 5.644 19.732 1.00 40.00 H new ATOM 0 HE2 PHE F 1 -7.004 1.581 19.265 1.00 40.00 H new ATOM 0 HZ PHE F 1 -7.257 3.954 20.121 1.00 40.00 H new ATOM 1912 N VAL F 2 -4.454 3.761 14.460 1.00 40.00 N ATOM 1913 CA VAL F 2 -5.722 3.529 13.692 1.00 40.00 C ATOM 1914 C VAL F 2 -5.677 2.185 12.967 1.00 31.27 C ATOM 1915 O VAL F 2 -5.044 2.042 11.937 1.00 40.00 O ATOM 1916 CB VAL F 2 -5.892 4.639 12.665 1.00 40.00 C ATOM 1917 CG1 VAL F 2 -6.136 5.957 13.397 1.00 40.00 C ATOM 1918 CG2 VAL F 2 -4.620 4.744 11.813 1.00 40.00 C ATOM 0 H VAL F 2 -4.027 4.676 14.316 1.00 40.00 H new ATOM 0 HA VAL F 2 -6.558 3.524 14.391 1.00 40.00 H new ATOM 0 HB VAL F 2 -6.739 4.420 12.015 1.00 40.00 H new ATOM 0 HG11 VAL F 2 -6.259 6.760 12.670 1.00 40.00 H new ATOM 0 HG12 VAL F 2 -7.038 5.875 14.003 1.00 40.00 H new ATOM 0 HG13 VAL F 2 -5.285 6.178 14.041 1.00 40.00 H new ATOM 0 HG21 VAL F 2 -4.740 5.539 11.077 1.00 40.00 H new ATOM 0 HG22 VAL F 2 -3.769 4.970 12.456 1.00 40.00 H new ATOM 0 HG23 VAL F 2 -4.446 3.798 11.301 1.00 40.00 H new ATOM 1928 N ASN F 3 -6.333 1.201 13.505 1.00 31.85 N ATOM 1929 CA ASN F 3 -6.319 -0.137 12.859 1.00 40.00 C ATOM 1930 C ASN F 3 -7.693 -0.412 12.238 1.00 40.00 C ATOM 1931 O ASN F 3 -8.524 0.469 12.135 1.00 40.00 O ATOM 1932 CB ASN F 3 -5.983 -1.195 13.921 1.00 40.00 C ATOM 1933 CG ASN F 3 -4.469 -1.450 13.929 1.00 40.00 C ATOM 1934 OD1 ASN F 3 -4.028 -2.586 13.916 1.00 40.00 O ATOM 1935 ND2 ASN F 3 -3.648 -0.432 13.953 1.00 40.00 N ATOM 0 H ASN F 3 -6.879 1.264 14.364 1.00 31.85 H new ATOM 0 HA ASN F 3 -5.567 -0.172 12.070 1.00 40.00 H new ATOM 0 HB2 ASN F 3 -6.311 -0.856 14.904 1.00 40.00 H new ATOM 0 HB3 ASN F 3 -6.517 -2.121 13.709 1.00 40.00 H new ATOM 0 HD21 ASN F 3 -2.640 -0.590 13.961 1.00 40.00 H new ATOM 0 HD22 ASN F 3 -4.016 0.519 13.964 1.00 40.00 H new ATOM 1942 N GLN F 4 -7.933 -1.624 11.823 1.00 30.70 N ATOM 1943 CA GLN F 4 -9.242 -1.970 11.203 1.00 22.76 C ATOM 1944 C GLN F 4 -9.470 -1.107 9.952 1.00 20.85 C ATOM 1945 O GLN F 4 -9.188 -1.527 8.849 1.00 21.32 O ATOM 1946 CB GLN F 4 -10.370 -1.756 12.221 1.00 24.26 C ATOM 1947 CG GLN F 4 -11.728 -2.042 11.557 1.00 36.65 C ATOM 1948 CD GLN F 4 -12.534 -3.051 12.385 1.00 40.00 C ATOM 1949 OE1 GLN F 4 -12.049 -3.589 13.363 1.00 40.00 O ATOM 1950 NE2 GLN F 4 -13.759 -3.330 12.030 1.00 40.00 N ATOM 0 H GLN F 4 -7.271 -2.398 11.888 1.00 30.70 H new ATOM 0 HA GLN F 4 -9.237 -3.018 10.905 1.00 22.76 H new ATOM 0 HB2 GLN F 4 -10.228 -2.413 13.079 1.00 24.26 H new ATOM 0 HB3 GLN F 4 -10.346 -0.733 12.596 1.00 24.26 H new ATOM 0 HG2 GLN F 4 -12.291 -1.114 11.456 1.00 36.65 H new ATOM 0 HG3 GLN F 4 -11.572 -2.432 10.551 1.00 36.65 H new ATOM 0 HE21 GLN F 4 -14.168 -2.880 11.211 1.00 40.00 H new ATOM 0 HE22 GLN F 4 -14.308 -3.998 12.572 1.00 40.00 H new ATOM 1959 N HIS F 5 -9.986 0.084 10.106 1.00 24.76 N ATOM 1960 CA HIS F 5 -10.236 0.946 8.912 1.00 26.85 C ATOM 1961 C HIS F 5 -8.948 1.114 8.102 1.00 29.57 C ATOM 1962 O HIS F 5 -8.980 1.429 6.931 1.00 40.00 O ATOM 1963 CB HIS F 5 -10.731 2.317 9.361 1.00 26.32 C ATOM 1964 CG HIS F 5 -11.431 2.987 8.213 1.00 30.70 C ATOM 1965 ND1 HIS F 5 -12.706 2.621 7.809 1.00 31.27 N ATOM 1966 CD2 HIS F 5 -11.048 4.000 7.370 1.00 40.00 C ATOM 1967 CE1 HIS F 5 -13.041 3.403 6.767 1.00 38.53 C ATOM 1968 NE2 HIS F 5 -12.067 4.262 6.459 1.00 40.00 N ATOM 0 H HIS F 5 -10.244 0.496 11.002 1.00 24.76 H new ATOM 0 HA HIS F 5 -10.992 0.469 8.288 1.00 26.85 H new ATOM 0 HB2 HIS F 5 -11.411 2.213 10.207 1.00 26.32 H new ATOM 0 HB3 HIS F 5 -9.893 2.927 9.698 1.00 26.32 H new ATOM 0 HD1 HIS F 5 -13.284 1.892 8.226 1.00 31.27 H new ATOM 0 HD2 HIS F 5 -10.100 4.516 7.408 1.00 40.00 H new ATOM 0 HE1 HIS F 5 -13.984 3.343 6.243 1.00 38.53 H new ATOM 1976 N LEU F 6 -7.818 0.911 8.715 1.00 25.80 N ATOM 1977 CA LEU F 6 -6.526 1.054 7.984 1.00 30.13 C ATOM 1978 C LEU F 6 -5.846 -0.319 7.874 1.00 25.80 C ATOM 1979 O LEU F 6 -5.049 -0.565 6.991 1.00 27.92 O ATOM 1980 CB LEU F 6 -5.620 2.007 8.764 1.00 40.00 C ATOM 1981 CG LEU F 6 -5.263 3.210 7.891 1.00 40.00 C ATOM 1982 CD1 LEU F 6 -6.521 4.035 7.611 1.00 40.00 C ATOM 1983 CD2 LEU F 6 -4.234 4.076 8.624 1.00 40.00 C ATOM 0 H LEU F 6 -7.731 0.650 9.697 1.00 25.80 H new ATOM 0 HA LEU F 6 -6.708 1.448 6.984 1.00 30.13 H new ATOM 0 HB2 LEU F 6 -6.123 2.341 9.672 1.00 40.00 H new ATOM 0 HB3 LEU F 6 -4.713 1.489 9.074 1.00 40.00 H new ATOM 0 HG LEU F 6 -4.844 2.864 6.946 1.00 40.00 H new ATOM 0 HD11 LEU F 6 -6.263 4.892 6.989 1.00 40.00 H new ATOM 0 HD12 LEU F 6 -7.254 3.417 7.092 1.00 40.00 H new ATOM 0 HD13 LEU F 6 -6.944 4.385 8.553 1.00 40.00 H new ATOM 0 HD21 LEU F 6 -3.976 4.936 8.006 1.00 40.00 H new ATOM 0 HD22 LEU F 6 -4.656 4.421 9.568 1.00 40.00 H new ATOM 0 HD23 LEU F 6 -3.338 3.488 8.821 1.00 40.00 H new ATOM 1995 N CYS F 7 -6.150 -1.204 8.780 1.00 26.32 N ATOM 1996 CA CYS F 7 -5.539 -2.560 8.778 1.00 24.76 C ATOM 1997 C CYS F 7 -6.235 -3.454 7.751 1.00 17.70 C ATOM 1998 O CYS F 7 -5.601 -4.139 6.977 1.00 15.20 O ATOM 1999 CB CYS F 7 -5.769 -3.135 10.166 1.00 33.61 C ATOM 2000 SG CYS F 7 -4.888 -4.690 10.388 1.00 23.75 S ATOM 0 H CYS F 7 -6.812 -1.040 9.539 1.00 26.32 H new ATOM 0 HA CYS F 7 -4.480 -2.507 8.525 1.00 24.76 H new ATOM 0 HB2 CYS F 7 -5.439 -2.418 10.918 1.00 33.61 H new ATOM 0 HB3 CYS F 7 -6.836 -3.294 10.323 1.00 33.61 H new ATOM 2005 N GLY F 8 -7.539 -3.463 7.763 1.00 18.57 N ATOM 2006 CA GLY F 8 -8.303 -4.323 6.815 1.00 15.60 C ATOM 2007 C GLY F 8 -7.857 -4.079 5.374 1.00 14.80 C ATOM 2008 O GLY F 8 -7.789 -4.994 4.582 1.00 13.27 O ATOM 0 H GLY F 8 -8.114 -2.906 8.395 1.00 18.57 H new ATOM 0 HA2 GLY F 8 -8.157 -5.372 7.072 1.00 15.60 H new ATOM 0 HA3 GLY F 8 -9.369 -4.117 6.909 1.00 15.60 H new ATOM 2012 N SER F 9 -7.575 -2.856 5.018 1.00 19.47 N ATOM 2013 CA SER F 9 -7.158 -2.565 3.611 1.00 23.75 C ATOM 2014 C SER F 9 -6.017 -3.484 3.181 1.00 21.79 C ATOM 2015 O SER F 9 -5.844 -3.756 2.010 1.00 32.43 O ATOM 2016 CB SER F 9 -6.676 -1.118 3.509 1.00 30.70 C ATOM 2017 OG SER F 9 -6.088 -0.733 4.746 1.00 40.00 O ATOM 0 H SER F 9 -7.614 -2.046 5.636 1.00 19.47 H new ATOM 0 HA SER F 9 -8.018 -2.730 2.962 1.00 23.75 H new ATOM 0 HB2 SER F 9 -5.950 -1.020 2.701 1.00 30.70 H new ATOM 0 HB3 SER F 9 -7.511 -0.460 3.269 1.00 30.70 H new ATOM 0 HG SER F 9 -6.771 -0.327 5.320 1.00 40.00 H new ATOM 2023 N HIS F 10 -5.223 -3.943 4.105 1.00 15.20 N ATOM 2024 CA HIS F 10 -4.082 -4.817 3.722 1.00 15.60 C ATOM 2025 C HIS F 10 -4.400 -6.281 4.015 1.00 10.78 C ATOM 2026 O HIS F 10 -3.787 -7.169 3.456 1.00 10.45 O ATOM 2027 CB HIS F 10 -2.843 -4.362 4.477 1.00 20.85 C ATOM 2028 CG HIS F 10 -2.588 -2.928 4.108 1.00 31.85 C ATOM 2029 ND1 HIS F 10 -2.717 -2.473 2.805 1.00 40.00 N ATOM 2030 CD2 HIS F 10 -2.245 -1.830 4.856 1.00 37.90 C ATOM 2031 CE1 HIS F 10 -2.459 -1.154 2.807 1.00 40.00 C ATOM 2032 NE2 HIS F 10 -2.165 -0.710 4.032 1.00 40.00 N ATOM 0 H HIS F 10 -5.313 -3.753 5.103 1.00 15.20 H new ATOM 0 HA HIS F 10 -3.900 -4.735 2.650 1.00 15.60 H new ATOM 0 HB2 HIS F 10 -2.992 -4.460 5.552 1.00 20.85 H new ATOM 0 HB3 HIS F 10 -1.986 -4.983 4.216 1.00 20.85 H new ATOM 0 HD1 HIS F 10 -2.963 -3.037 1.992 1.00 40.00 H new ATOM 0 HD2 HIS F 10 -2.065 -1.834 5.921 1.00 37.90 H new ATOM 0 HE1 HIS F 10 -2.486 -0.530 1.926 1.00 40.00 H new ATOM 2040 N LEU F 11 -5.369 -6.548 4.849 1.00 9.47 N ATOM 2041 CA LEU F 11 -5.730 -7.970 5.114 1.00 7.67 C ATOM 2042 C LEU F 11 -6.356 -8.511 3.835 1.00 6.32 C ATOM 2043 O LEU F 11 -6.156 -9.645 3.453 1.00 6.32 O ATOM 2044 CB LEU F 11 -6.754 -8.067 6.248 1.00 8.55 C ATOM 2045 CG LEU F 11 -6.270 -7.289 7.470 1.00 7.96 C ATOM 2046 CD1 LEU F 11 -7.318 -7.394 8.577 1.00 10.78 C ATOM 2047 CD2 LEU F 11 -4.950 -7.877 7.964 1.00 8.85 C ATOM 0 H LEU F 11 -5.920 -5.853 5.352 1.00 9.47 H new ATOM 0 HA LEU F 11 -4.845 -8.535 5.406 1.00 7.67 H new ATOM 0 HB2 LEU F 11 -7.714 -7.673 5.915 1.00 8.55 H new ATOM 0 HB3 LEU F 11 -6.914 -9.112 6.514 1.00 8.55 H new ATOM 0 HG LEU F 11 -6.120 -6.243 7.201 1.00 7.96 H new ATOM 0 HD11 LEU F 11 -6.979 -6.841 9.453 1.00 10.78 H new ATOM 0 HD12 LEU F 11 -8.261 -6.975 8.226 1.00 10.78 H new ATOM 0 HD13 LEU F 11 -7.463 -8.441 8.843 1.00 10.78 H new ATOM 0 HD21 LEU F 11 -4.607 -7.320 8.836 1.00 8.85 H new ATOM 0 HD22 LEU F 11 -5.096 -8.922 8.236 1.00 8.85 H new ATOM 0 HD23 LEU F 11 -4.203 -7.809 7.173 1.00 8.85 H new ATOM 2059 N VAL F 12 -7.119 -7.685 3.175 1.00 7.67 N ATOM 2060 CA VAL F 12 -7.781 -8.107 1.911 1.00 9.16 C ATOM 2061 C VAL F 12 -6.726 -8.378 0.837 1.00 9.47 C ATOM 2062 O VAL F 12 -6.876 -9.259 0.018 1.00 10.12 O ATOM 2063 CB VAL F 12 -8.722 -7.005 1.427 1.00 16.01 C ATOM 2064 CG1 VAL F 12 -9.798 -6.757 2.484 1.00 24.76 C ATOM 2065 CG2 VAL F 12 -7.930 -5.716 1.192 1.00 32.43 C ATOM 0 H VAL F 12 -7.314 -6.726 3.461 1.00 7.67 H new ATOM 0 HA VAL F 12 -8.351 -9.017 2.097 1.00 9.16 H new ATOM 0 HB VAL F 12 -9.191 -7.314 0.493 1.00 16.01 H new ATOM 0 HG11 VAL F 12 -10.471 -5.971 2.141 1.00 24.76 H new ATOM 0 HG12 VAL F 12 -10.365 -7.673 2.648 1.00 24.76 H new ATOM 0 HG13 VAL F 12 -9.327 -6.449 3.418 1.00 24.76 H new ATOM 0 HG21 VAL F 12 -8.604 -4.932 0.847 1.00 32.43 H new ATOM 0 HG22 VAL F 12 -7.458 -5.404 2.124 1.00 32.43 H new ATOM 0 HG23 VAL F 12 -7.163 -5.893 0.438 1.00 32.43 H new ATOM 2075 N GLU F 13 -5.659 -7.630 0.832 1.00 11.12 N ATOM 2076 CA GLU F 13 -4.599 -7.853 -0.191 1.00 14.03 C ATOM 2077 C GLU F 13 -4.114 -9.298 -0.106 1.00 13.27 C ATOM 2078 O GLU F 13 -3.920 -9.956 -1.103 1.00 17.70 O ATOM 2079 CB GLU F 13 -3.424 -6.913 0.075 1.00 19.47 C ATOM 2080 CG GLU F 13 -3.863 -5.469 -0.155 1.00 40.00 C ATOM 2081 CD GLU F 13 -2.632 -4.595 -0.401 1.00 40.00 C ATOM 2082 OE1 GLU F 13 -2.019 -4.747 -1.446 1.00 40.00 O ATOM 2083 OE2 GLU F 13 -2.321 -3.789 0.461 1.00 40.00 O ATOM 0 H GLU F 13 -5.474 -6.874 1.491 1.00 11.12 H new ATOM 0 HA GLU F 13 -5.005 -7.656 -1.183 1.00 14.03 H new ATOM 0 HB2 GLU F 13 -3.070 -7.038 1.098 1.00 19.47 H new ATOM 0 HB3 GLU F 13 -2.591 -7.160 -0.583 1.00 19.47 H new ATOM 0 HG2 GLU F 13 -4.538 -5.414 -1.009 1.00 40.00 H new ATOM 0 HG3 GLU F 13 -4.415 -5.103 0.711 1.00 40.00 H new ATOM 2090 N ALA F 14 -3.923 -9.795 1.080 1.00 10.78 N ATOM 2091 CA ALA F 14 -3.455 -11.197 1.229 1.00 11.81 C ATOM 2092 C ALA F 14 -4.636 -12.147 1.027 1.00 9.47 C ATOM 2093 O ALA F 14 -4.477 -13.265 0.586 1.00 11.12 O ATOM 2094 CB ALA F 14 -2.883 -11.391 2.632 1.00 12.90 C ATOM 0 H ALA F 14 -4.071 -9.291 1.954 1.00 10.78 H new ATOM 0 HA ALA F 14 -2.685 -11.408 0.488 1.00 11.81 H new ATOM 0 HB1 ALA F 14 -2.538 -12.419 2.745 1.00 12.90 H new ATOM 0 HB2 ALA F 14 -2.046 -10.709 2.781 1.00 12.90 H new ATOM 0 HB3 ALA F 14 -3.656 -11.184 3.372 1.00 12.90 H new ATOM 2100 N LEU F 15 -5.821 -11.708 1.353 1.00 8.25 N ATOM 2101 CA LEU F 15 -7.015 -12.583 1.188 1.00 9.79 C ATOM 2102 C LEU F 15 -7.148 -13.026 -0.267 1.00 11.46 C ATOM 2103 O LEU F 15 -7.057 -14.199 -0.568 1.00 14.03 O ATOM 2104 CB LEU F 15 -8.275 -11.818 1.576 1.00 10.12 C ATOM 2105 CG LEU F 15 -8.536 -11.963 3.074 1.00 10.12 C ATOM 2106 CD1 LEU F 15 -9.699 -11.058 3.480 1.00 11.12 C ATOM 2107 CD2 LEU F 15 -8.896 -13.412 3.387 1.00 16.01 C ATOM 0 H LEU F 15 -6.014 -10.779 1.727 1.00 8.25 H new ATOM 0 HA LEU F 15 -6.893 -13.456 1.830 1.00 9.79 H new ATOM 0 HB2 LEU F 15 -8.164 -10.765 1.318 1.00 10.12 H new ATOM 0 HB3 LEU F 15 -9.128 -12.196 1.012 1.00 10.12 H new ATOM 0 HG LEU F 15 -7.641 -11.678 3.627 1.00 10.12 H new ATOM 0 HD11 LEU F 15 -9.885 -11.162 4.549 1.00 11.12 H new ATOM 0 HD12 LEU F 15 -9.449 -10.021 3.254 1.00 11.12 H new ATOM 0 HD13 LEU F 15 -10.593 -11.345 2.927 1.00 11.12 H new ATOM 0 HD21 LEU F 15 -9.083 -13.518 4.456 1.00 16.01 H new ATOM 0 HD22 LEU F 15 -9.792 -13.692 2.833 1.00 16.01 H new ATOM 0 HD23 LEU F 15 -8.071 -14.063 3.097 1.00 16.01 H new ATOM 2119 N TYR F 16 -7.393 -12.109 -1.173 1.00 16.01 N ATOM 2120 CA TYR F 16 -7.560 -12.522 -2.593 1.00 25.80 C ATOM 2121 C TYR F 16 -6.228 -13.018 -3.170 1.00 19.92 C ATOM 2122 O TYR F 16 -6.202 -13.641 -4.215 1.00 21.79 O ATOM 2123 CB TYR F 16 -8.187 -11.390 -3.431 1.00 40.00 C ATOM 2124 CG TYR F 16 -7.186 -10.346 -3.867 1.00 18.57 C ATOM 2125 CD1 TYR F 16 -6.090 -9.949 -2.997 1.00 40.00 C ATOM 2126 CD2 TYR F 16 -7.345 -9.719 -5.170 1.00 40.00 C ATOM 2127 CE1 TYR F 16 -5.151 -8.924 -3.434 1.00 40.00 C ATOM 2128 CE2 TYR F 16 -6.408 -8.701 -5.605 1.00 40.00 C ATOM 2129 CZ TYR F 16 -5.313 -8.300 -4.741 1.00 40.00 C ATOM 2130 OH TYR F 16 -4.430 -7.333 -5.161 1.00 40.00 O ATOM 0 H TYR F 16 -7.483 -11.109 -0.990 1.00 16.01 H new ATOM 0 HA TYR F 16 -8.257 -13.359 -2.635 1.00 25.80 H new ATOM 0 HB2 TYR F 16 -8.661 -11.820 -4.313 1.00 40.00 H new ATOM 0 HB3 TYR F 16 -8.973 -10.909 -2.849 1.00 40.00 H new ATOM 0 HD1 TYR F 16 -5.972 -10.413 -2.029 1.00 40.00 H new ATOM 0 HD2 TYR F 16 -8.161 -10.012 -5.814 1.00 40.00 H new ATOM 0 HE1 TYR F 16 -4.336 -8.627 -2.790 1.00 40.00 H new ATOM 0 HE2 TYR F 16 -6.525 -8.240 -6.575 1.00 40.00 H new ATOM 0 HH TYR F 16 -3.687 -7.755 -5.642 1.00 40.00 H new ATOM 2140 N LEU F 17 -5.132 -12.807 -2.484 1.00 17.27 N ATOM 2141 CA LEU F 17 -3.841 -13.339 -2.993 1.00 15.60 C ATOM 2142 C LEU F 17 -3.863 -14.845 -2.751 1.00 11.81 C ATOM 2143 O LEU F 17 -3.450 -15.632 -3.577 1.00 12.17 O ATOM 2144 CB LEU F 17 -2.676 -12.717 -2.224 1.00 20.85 C ATOM 2145 CG LEU F 17 -1.425 -12.741 -3.096 1.00 19.92 C ATOM 2146 CD1 LEU F 17 -1.314 -11.424 -3.864 1.00 40.00 C ATOM 2147 CD2 LEU F 17 -0.193 -12.915 -2.208 1.00 40.00 C ATOM 0 H LEU F 17 -5.080 -12.295 -1.604 1.00 17.27 H new ATOM 0 HA LEU F 17 -3.714 -13.105 -4.050 1.00 15.60 H new ATOM 0 HB2 LEU F 17 -2.917 -11.692 -1.943 1.00 20.85 H new ATOM 0 HB3 LEU F 17 -2.500 -13.268 -1.300 1.00 20.85 H new ATOM 0 HG LEU F 17 -1.488 -13.569 -3.802 1.00 19.92 H new ATOM 0 HD11 LEU F 17 -0.420 -11.441 -4.487 1.00 40.00 H new ATOM 0 HD12 LEU F 17 -2.194 -11.295 -4.495 1.00 40.00 H new ATOM 0 HD13 LEU F 17 -1.249 -10.596 -3.158 1.00 40.00 H new ATOM 0 HD21 LEU F 17 0.703 -12.933 -2.828 1.00 40.00 H new ATOM 0 HD22 LEU F 17 -0.131 -12.085 -1.505 1.00 40.00 H new ATOM 0 HD23 LEU F 17 -0.271 -13.852 -1.657 1.00 40.00 H new ATOM 2159 N VAL F 18 -4.376 -15.241 -1.617 1.00 10.78 N ATOM 2160 CA VAL F 18 -4.469 -16.685 -1.289 1.00 11.12 C ATOM 2161 C VAL F 18 -5.579 -17.306 -2.130 1.00 11.81 C ATOM 2162 O VAL F 18 -5.493 -18.438 -2.557 1.00 15.20 O ATOM 2163 CB VAL F 18 -4.810 -16.844 0.193 1.00 12.17 C ATOM 2164 CG1 VAL F 18 -4.926 -18.329 0.537 1.00 14.80 C ATOM 2165 CG2 VAL F 18 -3.708 -16.211 1.041 1.00 14.03 C ATOM 0 H VAL F 18 -4.738 -14.614 -0.898 1.00 10.78 H new ATOM 0 HA VAL F 18 -3.520 -17.179 -1.499 1.00 11.12 H new ATOM 0 HB VAL F 18 -5.759 -16.349 0.400 1.00 12.17 H new ATOM 0 HG11 VAL F 18 -5.169 -18.440 1.594 1.00 14.80 H new ATOM 0 HG12 VAL F 18 -5.713 -18.782 -0.066 1.00 14.80 H new ATOM 0 HG13 VAL F 18 -3.978 -18.826 0.329 1.00 14.80 H new ATOM 0 HG21 VAL F 18 -3.951 -16.324 2.097 1.00 14.03 H new ATOM 0 HG22 VAL F 18 -2.759 -16.705 0.832 1.00 14.03 H new ATOM 0 HG23 VAL F 18 -3.626 -15.151 0.799 1.00 14.03 H new ATOM 2175 N CYS F 19 -6.622 -16.565 -2.376 1.00 11.12 N ATOM 2176 CA CYS F 19 -7.743 -17.099 -3.196 1.00 15.20 C ATOM 2177 C CYS F 19 -7.335 -17.094 -4.666 1.00 23.26 C ATOM 2178 O CYS F 19 -7.797 -17.894 -5.454 1.00 40.00 O ATOM 2179 CB CYS F 19 -8.969 -16.210 -3.012 1.00 14.41 C ATOM 2180 SG CYS F 19 -9.644 -16.449 -1.354 1.00 24.76 S ATOM 0 H CYS F 19 -6.747 -15.609 -2.043 1.00 11.12 H new ATOM 0 HA CYS F 19 -7.977 -18.116 -2.882 1.00 15.20 H new ATOM 0 HB2 CYS F 19 -8.698 -15.164 -3.159 1.00 14.41 H new ATOM 0 HB3 CYS F 19 -9.723 -16.452 -3.761 1.00 14.41 H new ATOM 2185 N GLY F 20 -6.473 -16.194 -5.043 1.00 20.38 N ATOM 2186 CA GLY F 20 -6.031 -16.135 -6.462 1.00 29.57 C ATOM 2187 C GLY F 20 -7.131 -15.503 -7.313 1.00 30.70 C ATOM 2188 O GLY F 20 -7.376 -14.316 -7.251 1.00 40.00 O ATOM 0 H GLY F 20 -6.055 -15.495 -4.429 1.00 20.38 H new ATOM 0 HA2 GLY F 20 -5.113 -15.553 -6.544 1.00 29.57 H new ATOM 0 HA3 GLY F 20 -5.806 -17.138 -6.826 1.00 29.57 H new ATOM 2192 N GLU F 21 -7.795 -16.290 -8.112 1.00 33.61 N ATOM 2193 CA GLU F 21 -8.877 -15.736 -8.972 1.00 40.00 C ATOM 2194 C GLU F 21 -10.201 -15.751 -8.205 1.00 34.20 C ATOM 2195 O GLU F 21 -11.115 -15.015 -8.518 1.00 40.00 O ATOM 2196 CB GLU F 21 -9.011 -16.591 -10.233 1.00 40.00 C ATOM 2197 CG GLU F 21 -7.858 -16.274 -11.190 1.00 40.00 C ATOM 2198 CD GLU F 21 -7.526 -17.518 -12.018 1.00 40.00 C ATOM 2199 OE1 GLU F 21 -6.888 -18.412 -11.480 1.00 40.00 O ATOM 2200 OE2 GLU F 21 -7.914 -17.556 -13.175 1.00 40.00 O ATOM 0 H GLU F 21 -7.635 -17.293 -8.207 1.00 33.61 H new ATOM 0 HA GLU F 21 -8.631 -14.711 -9.249 1.00 40.00 H new ATOM 0 HB2 GLU F 21 -9.000 -17.649 -9.971 1.00 40.00 H new ATOM 0 HB3 GLU F 21 -9.966 -16.393 -10.719 1.00 40.00 H new ATOM 0 HG2 GLU F 21 -8.133 -15.449 -11.847 1.00 40.00 H new ATOM 0 HG3 GLU F 21 -6.981 -15.954 -10.627 1.00 40.00 H new ATOM 2207 N ARG F 22 -10.316 -16.589 -7.212 1.00 25.80 N ATOM 2208 CA ARG F 22 -11.586 -16.651 -6.438 1.00 24.76 C ATOM 2209 C ARG F 22 -11.858 -15.301 -5.775 1.00 29.57 C ATOM 2210 O ARG F 22 -11.048 -14.397 -5.816 1.00 40.00 O ATOM 2211 CB ARG F 22 -11.473 -17.731 -5.365 1.00 24.76 C ATOM 2212 CG ARG F 22 -12.121 -19.016 -5.876 1.00 36.65 C ATOM 2213 CD ARG F 22 -12.325 -19.979 -4.709 1.00 40.00 C ATOM 2214 NE ARG F 22 -10.999 -20.462 -4.234 1.00 40.00 N ATOM 2215 CZ ARG F 22 -10.928 -21.453 -3.388 1.00 40.00 C ATOM 2216 NH1 ARG F 22 -11.901 -21.662 -2.539 1.00 40.00 N ATOM 2217 NH2 ARG F 22 -9.884 -22.236 -3.388 1.00 40.00 N ATOM 0 H ARG F 22 -9.587 -17.232 -6.904 1.00 25.80 H new ATOM 0 HA ARG F 22 -12.407 -16.889 -7.114 1.00 24.76 H new ATOM 0 HB2 ARG F 22 -10.426 -17.910 -5.121 1.00 24.76 H new ATOM 0 HB3 ARG F 22 -11.962 -17.402 -4.448 1.00 24.76 H new ATOM 0 HG2 ARG F 22 -13.077 -18.791 -6.348 1.00 36.65 H new ATOM 0 HG3 ARG F 22 -11.491 -19.477 -6.636 1.00 36.65 H new ATOM 0 HD2 ARG F 22 -12.855 -19.479 -3.898 1.00 40.00 H new ATOM 0 HD3 ARG F 22 -12.942 -20.822 -5.021 1.00 40.00 H new ATOM 0 HE ARG F 22 -10.145 -20.018 -4.570 1.00 40.00 H new ATOM 0 HH11 ARG F 22 -12.717 -21.050 -2.538 1.00 40.00 H new ATOM 0 HH12 ARG F 22 -11.844 -22.437 -1.878 1.00 40.00 H new ATOM 0 HH21 ARG F 22 -9.124 -22.073 -4.049 1.00 40.00 H new ATOM 0 HH22 ARG F 22 -9.828 -23.011 -2.727 1.00 40.00 H new ATOM 2231 N GLY F 23 -13.001 -15.160 -5.165 1.00 24.26 N ATOM 2232 CA GLY F 23 -13.341 -13.874 -4.499 1.00 23.26 C ATOM 2233 C GLY F 23 -13.538 -14.108 -3.006 1.00 23.26 C ATOM 2234 O GLY F 23 -13.330 -15.195 -2.510 1.00 27.92 O ATOM 0 H GLY F 23 -13.717 -15.884 -5.099 1.00 24.26 H new ATOM 0 HA2 GLY F 23 -12.545 -13.147 -4.662 1.00 23.26 H new ATOM 0 HA3 GLY F 23 -14.248 -13.456 -4.935 1.00 23.26 H new ATOM 2238 N PHE F 24 -13.941 -13.099 -2.284 1.00 20.85 N ATOM 2239 CA PHE F 24 -14.151 -13.278 -0.823 1.00 21.32 C ATOM 2240 C PHE F 24 -15.054 -12.165 -0.288 1.00 17.27 C ATOM 2241 O PHE F 24 -15.171 -11.110 -0.878 1.00 19.92 O ATOM 2242 CB PHE F 24 -12.793 -13.238 -0.105 1.00 23.75 C ATOM 2243 CG PHE F 24 -12.146 -11.883 -0.287 1.00 22.28 C ATOM 2244 CD1 PHE F 24 -11.619 -11.495 -1.585 1.00 40.00 C ATOM 2245 CD2 PHE F 24 -12.061 -10.964 0.837 1.00 40.00 C ATOM 2246 CE1 PHE F 24 -11.004 -10.187 -1.757 1.00 40.00 C ATOM 2247 CE2 PHE F 24 -11.447 -9.656 0.664 1.00 40.00 C ATOM 2248 CZ PHE F 24 -10.918 -9.269 -0.635 1.00 21.79 C ATOM 0 H PHE F 24 -14.133 -12.163 -2.642 1.00 20.85 H new ATOM 0 HA PHE F 24 -14.630 -14.240 -0.641 1.00 21.32 H new ATOM 0 HB2 PHE F 24 -12.928 -13.445 0.957 1.00 23.75 H new ATOM 0 HB3 PHE F 24 -12.141 -14.017 -0.501 1.00 23.75 H new ATOM 0 HD1 PHE F 24 -11.684 -12.176 -2.421 1.00 40.00 H new ATOM 0 HD2 PHE F 24 -12.454 -11.252 1.801 1.00 40.00 H new ATOM 0 HE1 PHE F 24 -10.611 -9.899 -2.721 1.00 40.00 H new ATOM 0 HE2 PHE F 24 -11.384 -8.974 1.499 1.00 40.00 H new ATOM 0 HZ PHE F 24 -10.461 -8.299 -0.765 1.00 21.79 H new ATOM 2258 N PHE F 25 -15.670 -12.386 0.834 1.00 14.41 N ATOM 2259 CA PHE F 25 -16.544 -11.335 1.421 1.00 12.53 C ATOM 2260 C PHE F 25 -15.817 -10.707 2.608 1.00 10.45 C ATOM 2261 O PHE F 25 -15.402 -11.387 3.523 1.00 12.90 O ATOM 2262 CB PHE F 25 -17.881 -11.933 1.885 1.00 15.20 C ATOM 2263 CG PHE F 25 -17.659 -13.265 2.558 1.00 33.61 C ATOM 2264 CD1 PHE F 25 -17.675 -14.484 1.766 1.00 40.00 C ATOM 2265 CD2 PHE F 25 -17.425 -13.330 3.990 1.00 40.00 C ATOM 2266 CE1 PHE F 25 -17.456 -15.771 2.409 1.00 40.00 C ATOM 2267 CE2 PHE F 25 -17.207 -14.616 4.635 1.00 40.00 C ATOM 2268 CZ PHE F 25 -17.222 -15.837 3.843 1.00 40.00 C ATOM 0 H PHE F 25 -15.607 -13.250 1.373 1.00 14.41 H new ATOM 0 HA PHE F 25 -16.757 -10.579 0.665 1.00 12.53 H new ATOM 0 HB2 PHE F 25 -18.373 -11.248 2.575 1.00 15.20 H new ATOM 0 HB3 PHE F 25 -18.547 -12.057 1.031 1.00 15.20 H new ATOM 0 HD1 PHE F 25 -17.849 -14.434 0.701 1.00 40.00 H new ATOM 0 HD2 PHE F 25 -17.413 -12.423 4.576 1.00 40.00 H new ATOM 0 HE1 PHE F 25 -17.467 -16.677 1.821 1.00 40.00 H new ATOM 0 HE2 PHE F 25 -17.034 -14.664 5.700 1.00 40.00 H new ATOM 0 HZ PHE F 25 -17.059 -16.792 4.320 1.00 40.00 H new ATOM 2278 N TYR F 26 -15.643 -9.416 2.588 1.00 10.78 N ATOM 2279 CA TYR F 26 -14.926 -8.741 3.706 1.00 10.78 C ATOM 2280 C TYR F 26 -15.894 -7.850 4.483 1.00 10.12 C ATOM 2281 O TYR F 26 -16.409 -6.880 3.967 1.00 11.12 O ATOM 2282 CB TYR F 26 -13.801 -7.882 3.132 1.00 11.46 C ATOM 2283 CG TYR F 26 -12.942 -7.357 4.255 1.00 14.41 C ATOM 2284 CD1 TYR F 26 -11.892 -8.189 4.814 1.00 40.00 C ATOM 2285 CD2 TYR F 26 -13.166 -6.017 4.779 1.00 40.00 C ATOM 2286 CE1 TYR F 26 -11.063 -7.686 5.899 1.00 40.00 C ATOM 2287 CE2 TYR F 26 -12.336 -5.513 5.862 1.00 40.00 C ATOM 2288 CZ TYR F 26 -11.287 -6.348 6.422 1.00 28.47 C ATOM 2289 OH TYR F 26 -10.504 -5.873 7.453 1.00 39.82 O ATOM 0 H TYR F 26 -15.967 -8.797 1.845 1.00 10.78 H new ATOM 0 HA TYR F 26 -14.515 -9.494 4.378 1.00 10.78 H new ATOM 0 HB2 TYR F 26 -13.196 -8.471 2.442 1.00 11.46 H new ATOM 0 HB3 TYR F 26 -14.218 -7.052 2.561 1.00 11.46 H new ATOM 0 HD1 TYR F 26 -11.726 -9.182 4.424 1.00 40.00 H new ATOM 0 HD2 TYR F 26 -13.948 -5.398 4.364 1.00 40.00 H new ATOM 0 HE1 TYR F 26 -10.282 -8.306 6.315 1.00 40.00 H new ATOM 0 HE2 TYR F 26 -12.499 -4.518 6.250 1.00 40.00 H new ATOM 0 HH TYR F 26 -10.932 -5.088 7.854 1.00 39.82 H new ATOM 2299 N THR F 27 -16.137 -8.162 5.726 1.00 14.03 N ATOM 2300 CA THR F 27 -17.060 -7.323 6.537 1.00 16.43 C ATOM 2301 C THR F 27 -16.327 -6.844 7.805 1.00 25.28 C ATOM 2302 O THR F 27 -16.258 -7.582 8.768 1.00 35.41 O ATOM 2303 CB THR F 27 -18.290 -8.139 6.936 1.00 23.26 C ATOM 2304 OG1 THR F 27 -17.892 -9.464 7.250 1.00 40.00 O ATOM 2305 CG2 THR F 27 -19.287 -8.165 5.778 1.00 24.76 C ATOM 0 H THR F 27 -15.735 -8.962 6.214 1.00 14.03 H new ATOM 0 HA THR F 27 -17.379 -6.463 5.948 1.00 16.43 H new ATOM 0 HB THR F 27 -18.762 -7.683 7.806 1.00 23.26 H new ATOM 0 HG1 THR F 27 -17.160 -9.440 7.902 1.00 40.00 H new ATOM 0 HG21 THR F 27 -20.163 -8.747 6.065 1.00 24.76 H new ATOM 0 HG22 THR F 27 -19.591 -7.146 5.537 1.00 24.76 H new ATOM 0 HG23 THR F 27 -18.819 -8.620 4.905 1.00 24.76 H new ATOM 2313 N PRO F 28 -15.788 -5.626 7.790 1.00 30.13 N ATOM 2314 CA PRO F 28 -15.067 -5.090 8.957 1.00 40.00 C ATOM 2315 C PRO F 28 -16.064 -4.581 9.995 1.00 40.00 C ATOM 2316 O PRO F 28 -16.076 -3.417 10.344 1.00 40.00 O ATOM 2317 CB PRO F 28 -14.246 -3.932 8.383 1.00 40.00 C ATOM 2318 CG PRO F 28 -14.953 -3.496 7.080 1.00 40.00 C ATOM 2319 CD PRO F 28 -15.842 -4.675 6.645 1.00 30.13 C ATOM 0 HA PRO F 28 -14.446 -5.834 9.456 1.00 40.00 H new ATOM 0 HB2 PRO F 28 -14.194 -3.105 9.091 1.00 40.00 H new ATOM 0 HB3 PRO F 28 -13.221 -4.245 8.182 1.00 40.00 H new ATOM 0 HG2 PRO F 28 -15.551 -2.600 7.245 1.00 40.00 H new ATOM 0 HG3 PRO F 28 -14.224 -3.254 6.306 1.00 40.00 H new ATOM 0 HD2 PRO F 28 -16.863 -4.350 6.447 1.00 30.13 H new ATOM 0 HD3 PRO F 28 -15.471 -5.135 5.729 1.00 30.13 H new ATOM 2327 N LYS F 29 -16.908 -5.442 10.488 1.00 40.00 N ATOM 2328 CA LYS F 29 -17.908 -5.004 11.496 1.00 40.00 C ATOM 2329 C LYS F 29 -18.296 -6.193 12.371 1.00 40.00 C ATOM 2330 O LYS F 29 -19.012 -7.082 11.949 1.00 40.00 O ATOM 2331 CB LYS F 29 -19.150 -4.471 10.781 1.00 40.00 C ATOM 2332 CG LYS F 29 -20.133 -3.913 11.813 1.00 40.00 C ATOM 2333 CD LYS F 29 -21.508 -3.738 11.165 1.00 40.00 C ATOM 2334 CE LYS F 29 -22.595 -4.177 12.150 1.00 40.00 C ATOM 2335 NZ LYS F 29 -23.517 -5.137 11.477 1.00 40.00 N ATOM 0 H LYS F 29 -16.948 -6.430 10.236 1.00 40.00 H new ATOM 0 HA LYS F 29 -17.481 -4.217 12.118 1.00 40.00 H new ATOM 0 HB2 LYS F 29 -18.869 -3.692 10.073 1.00 40.00 H new ATOM 0 HB3 LYS F 29 -19.622 -5.268 10.207 1.00 40.00 H new ATOM 0 HG2 LYS F 29 -20.204 -4.588 12.666 1.00 40.00 H new ATOM 0 HG3 LYS F 29 -19.774 -2.957 12.193 1.00 40.00 H new ATOM 0 HD2 LYS F 29 -21.658 -2.696 10.881 1.00 40.00 H new ATOM 0 HD3 LYS F 29 -21.569 -4.329 10.251 1.00 40.00 H new ATOM 0 HE2 LYS F 29 -22.141 -4.644 13.024 1.00 40.00 H new ATOM 0 HE3 LYS F 29 -23.151 -3.309 12.505 1.00 40.00 H new ATOM 0 HZ1 LYS F 29 -24.256 -5.436 12.145 1.00 40.00 H new ATOM 0 HZ2 LYS F 29 -23.959 -4.676 10.656 1.00 40.00 H new ATOM 0 HZ3 LYS F 29 -22.980 -5.969 11.160 1.00 40.00 H new ATOM 2349 N THR F 30 -17.830 -6.217 13.590 1.00 40.00 N ATOM 2350 CA THR F 30 -18.172 -7.348 14.498 1.00 40.00 C ATOM 2351 C THR F 30 -19.695 -7.477 14.596 1.00 40.00 C ATOM 2352 O THR F 30 -20.313 -6.579 15.149 1.00 40.00 O ATOM 2353 CB THR F 30 -17.591 -7.088 15.896 1.00 40.00 C ATOM 2354 OG1 THR F 30 -16.769 -5.922 15.868 1.00 40.00 O ATOM 2355 CG2 THR F 30 -16.757 -8.295 16.333 1.00 40.00 C ATOM 2356 OXT THR F 30 -20.217 -8.471 14.113 1.00 40.00 O ATOM 0 H THR F 30 -17.227 -5.502 13.996 1.00 40.00 H new ATOM 0 HA THR F 30 -17.749 -8.270 14.099 1.00 40.00 H new ATOM 0 HB THR F 30 -18.406 -6.934 16.603 1.00 40.00 H new ATOM 0 HG1 THR F 30 -16.402 -5.759 16.762 1.00 40.00 H new ATOM 0 HG21 THR F 30 -16.344 -8.112 17.325 1.00 40.00 H new ATOM 0 HG22 THR F 30 -17.389 -9.183 16.361 1.00 40.00 H new ATOM 0 HG23 THR F 30 -15.944 -8.451 15.624 1.00 40.00 H new TER 2364 THR F 30 ATOM 2365 N GLY G 1 -17.286 -6.654 -14.397 1.00 40.00 N ATOM 2366 CA GLY G 1 -18.048 -6.718 -13.117 1.00 40.00 C ATOM 2367 C GLY G 1 -17.640 -5.547 -12.221 1.00 40.00 C ATOM 2368 O GLY G 1 -18.294 -4.523 -12.183 1.00 40.00 O ATOM 0 H1 GLY G 1 -17.563 -7.450 -15.006 1.00 40.00 H new ATOM 0 H2 GLY G 1 -17.496 -5.758 -14.881 1.00 40.00 H new ATOM 0 H3 GLY G 1 -16.267 -6.709 -14.197 1.00 40.00 H new ATOM 0 HA2 GLY G 1 -19.119 -6.681 -13.317 1.00 40.00 H new ATOM 0 HA3 GLY G 1 -17.851 -7.663 -12.611 1.00 40.00 H new ATOM 2374 N ILE G 2 -16.563 -5.688 -11.500 1.00 33.61 N ATOM 2375 CA ILE G 2 -16.114 -4.583 -10.609 1.00 25.80 C ATOM 2376 C ILE G 2 -14.640 -4.292 -10.876 1.00 21.32 C ATOM 2377 O ILE G 2 -14.223 -3.153 -10.938 1.00 23.26 O ATOM 2378 CB ILE G 2 -16.294 -5.006 -9.151 1.00 27.38 C ATOM 2379 CG1 ILE G 2 -15.812 -3.885 -8.227 1.00 27.38 C ATOM 2380 CG2 ILE G 2 -15.475 -6.270 -8.885 1.00 32.43 C ATOM 2381 CD1 ILE G 2 -16.071 -4.278 -6.771 1.00 34.81 C ATOM 0 H ILE G 2 -15.974 -6.521 -11.489 1.00 33.61 H new ATOM 0 HA ILE G 2 -16.705 -3.688 -10.804 1.00 25.80 H new ATOM 0 HB ILE G 2 -17.348 -5.205 -8.959 1.00 27.38 H new ATOM 0 HG12 ILE G 2 -14.749 -3.703 -8.382 1.00 27.38 H new ATOM 0 HG13 ILE G 2 -16.332 -2.956 -8.462 1.00 27.38 H new ATOM 0 HG21 ILE G 2 -15.602 -6.574 -7.846 1.00 32.43 H new ATOM 0 HG22 ILE G 2 -15.817 -7.070 -9.541 1.00 32.43 H new ATOM 0 HG23 ILE G 2 -14.421 -6.068 -9.078 1.00 32.43 H new ATOM 0 HD11 ILE G 2 -15.728 -3.480 -6.112 1.00 34.81 H new ATOM 0 HD12 ILE G 2 -17.139 -4.438 -6.622 1.00 34.81 H new ATOM 0 HD13 ILE G 2 -15.531 -5.196 -6.540 1.00 34.81 H new ATOM 2393 N VAL G 3 -13.848 -5.315 -11.029 1.00 24.76 N ATOM 2394 CA VAL G 3 -12.399 -5.101 -11.287 1.00 29.57 C ATOM 2395 C VAL G 3 -12.220 -4.396 -12.628 1.00 33.01 C ATOM 2396 O VAL G 3 -11.661 -3.321 -12.712 1.00 40.00 O ATOM 2397 CB VAL G 3 -11.688 -6.454 -11.335 1.00 40.00 C ATOM 2398 CG1 VAL G 3 -10.179 -6.231 -11.429 1.00 40.00 C ATOM 2399 CG2 VAL G 3 -12.009 -7.243 -10.063 1.00 40.00 C ATOM 0 H VAL G 3 -14.142 -6.291 -10.986 1.00 24.76 H new ATOM 0 HA VAL G 3 -11.975 -4.489 -10.491 1.00 29.57 H new ATOM 0 HB VAL G 3 -12.028 -7.014 -12.206 1.00 40.00 H new ATOM 0 HG11 VAL G 3 -9.670 -7.194 -11.463 1.00 40.00 H new ATOM 0 HG12 VAL G 3 -9.950 -5.667 -12.333 1.00 40.00 H new ATOM 0 HG13 VAL G 3 -9.839 -5.672 -10.557 1.00 40.00 H new ATOM 0 HG21 VAL G 3 -11.503 -8.208 -10.096 1.00 40.00 H new ATOM 0 HG22 VAL G 3 -11.668 -6.684 -9.192 1.00 40.00 H new ATOM 0 HG23 VAL G 3 -13.085 -7.400 -9.994 1.00 40.00 H new ATOM 2409 N GLU G 4 -12.688 -5.002 -13.677 1.00 38.53 N ATOM 2410 CA GLU G 4 -12.546 -4.386 -15.023 1.00 40.00 C ATOM 2411 C GLU G 4 -13.298 -3.050 -15.082 1.00 39.17 C ATOM 2412 O GLU G 4 -13.078 -2.247 -15.968 1.00 40.00 O ATOM 2413 CB GLU G 4 -13.131 -5.342 -16.064 1.00 40.00 C ATOM 2414 CG GLU G 4 -12.824 -4.825 -17.469 1.00 40.00 C ATOM 2415 CD GLU G 4 -13.437 -5.776 -18.499 1.00 40.00 C ATOM 2416 OE1 GLU G 4 -14.443 -6.394 -18.181 1.00 40.00 O ATOM 2417 OE2 GLU G 4 -12.890 -5.871 -19.588 1.00 40.00 O ATOM 0 H GLU G 4 -13.166 -5.903 -13.662 1.00 38.53 H new ATOM 0 HA GLU G 4 -11.491 -4.202 -15.226 1.00 40.00 H new ATOM 0 HB2 GLU G 4 -12.710 -6.339 -15.933 1.00 40.00 H new ATOM 0 HB3 GLU G 4 -14.209 -5.430 -15.926 1.00 40.00 H new ATOM 0 HG2 GLU G 4 -13.229 -3.821 -17.597 1.00 40.00 H new ATOM 0 HG3 GLU G 4 -11.746 -4.755 -17.617 1.00 40.00 H new ATOM 2424 N GLN G 5 -14.191 -2.807 -14.165 1.00 29.57 N ATOM 2425 CA GLN G 5 -14.958 -1.533 -14.200 1.00 26.32 C ATOM 2426 C GLN G 5 -14.237 -0.444 -13.401 1.00 19.47 C ATOM 2427 O GLN G 5 -14.230 0.709 -13.784 1.00 24.26 O ATOM 2428 CB GLN G 5 -16.339 -1.767 -13.591 1.00 34.20 C ATOM 2429 CG GLN G 5 -17.160 -0.481 -13.669 1.00 26.85 C ATOM 2430 CD GLN G 5 -18.432 -0.642 -12.837 1.00 26.32 C ATOM 2431 OE1 GLN G 5 -18.787 0.309 -12.018 1.00 34.81 O flip ATOM 2432 NE2 GLN G 5 -19.110 -1.644 -12.935 1.00 30.13 N flip ATOM 0 H GLN G 5 -14.422 -3.434 -13.395 1.00 29.57 H new ATOM 0 HA GLN G 5 -15.048 -1.206 -15.236 1.00 26.32 H new ATOM 0 HB2 GLN G 5 -16.850 -2.569 -14.123 1.00 34.20 H new ATOM 0 HB3 GLN G 5 -16.240 -2.085 -12.553 1.00 34.20 H new ATOM 0 HG2 GLN G 5 -16.574 0.361 -13.300 1.00 26.85 H new ATOM 0 HG3 GLN G 5 -17.415 -0.261 -14.706 1.00 26.85 H new ATOM 0 HE21 GLN G 5 -18.832 -2.387 -13.576 1.00 30.13 H new ATOM 0 HE22 GLN G 5 -19.958 -1.743 -12.377 1.00 30.13 H new ATOM 2441 N CYS G 6 -13.657 -0.785 -12.281 1.00 14.80 N ATOM 2442 CA CYS G 6 -12.979 0.257 -11.461 1.00 12.53 C ATOM 2443 C CYS G 6 -11.472 0.257 -11.699 1.00 13.64 C ATOM 2444 O CYS G 6 -10.799 1.217 -11.372 1.00 17.70 O ATOM 2445 CB CYS G 6 -13.266 0.003 -9.982 1.00 12.90 C ATOM 2446 SG CYS G 6 -15.057 -0.071 -9.712 1.00 15.60 S ATOM 0 H CYS G 6 -13.624 -1.731 -11.902 1.00 14.80 H new ATOM 0 HA CYS G 6 -13.367 1.232 -11.755 1.00 12.53 H new ATOM 0 HB2 CYS G 6 -12.802 -0.932 -9.667 1.00 12.90 H new ATOM 0 HB3 CYS G 6 -12.829 0.796 -9.375 1.00 12.90 H new ATOM 2451 N CYS G 7 -10.927 -0.787 -12.269 1.00 16.43 N ATOM 2452 CA CYS G 7 -9.457 -0.792 -12.521 1.00 20.85 C ATOM 2453 C CYS G 7 -9.179 -0.347 -13.960 1.00 22.28 C ATOM 2454 O CYS G 7 -8.140 -0.630 -14.523 1.00 37.90 O ATOM 2455 CB CYS G 7 -8.877 -2.182 -12.282 1.00 24.76 C ATOM 2456 SG CYS G 7 -7.072 -2.057 -12.297 1.00 33.61 S ATOM 0 H CYS G 7 -11.428 -1.624 -12.567 1.00 16.43 H new ATOM 0 HA CYS G 7 -8.980 -0.097 -11.830 1.00 20.85 H new ATOM 0 HB2 CYS G 7 -9.222 -2.578 -11.327 1.00 24.76 H new ATOM 0 HB3 CYS G 7 -9.216 -2.872 -13.054 1.00 24.76 H new ATOM 2461 N THR G 8 -10.085 0.372 -14.554 1.00 21.32 N ATOM 2462 CA THR G 8 -9.856 0.860 -15.939 1.00 24.26 C ATOM 2463 C THR G 8 -9.732 2.379 -15.890 1.00 28.47 C ATOM 2464 O THR G 8 -8.864 2.968 -16.502 1.00 40.00 O ATOM 2465 CB THR G 8 -11.037 0.465 -16.824 1.00 28.47 C ATOM 2466 OG1 THR G 8 -12.247 0.658 -16.105 1.00 40.00 O ATOM 2467 CG2 THR G 8 -10.908 -1.004 -17.223 1.00 40.00 C ATOM 0 H THR G 8 -10.977 0.644 -14.140 1.00 21.32 H new ATOM 0 HA THR G 8 -8.948 0.421 -16.352 1.00 24.26 H new ATOM 0 HB THR G 8 -11.043 1.083 -17.722 1.00 28.47 H new ATOM 0 HG1 THR G 8 -12.682 -0.208 -15.958 1.00 40.00 H new ATOM 0 HG21 THR G 8 -11.751 -1.285 -17.854 1.00 40.00 H new ATOM 0 HG22 THR G 8 -9.978 -1.152 -17.772 1.00 40.00 H new ATOM 0 HG23 THR G 8 -10.903 -1.625 -16.327 1.00 40.00 H new ATOM 2475 N SER G 9 -10.592 3.013 -15.142 1.00 23.75 N ATOM 2476 CA SER G 9 -10.536 4.494 -15.020 1.00 34.20 C ATOM 2477 C SER G 9 -11.100 4.900 -13.655 1.00 27.92 C ATOM 2478 O SER G 9 -11.624 5.981 -13.488 1.00 40.00 O ATOM 2479 CB SER G 9 -11.366 5.131 -16.134 1.00 40.00 C ATOM 2480 OG SER G 9 -11.228 4.357 -17.319 1.00 40.00 O ATOM 0 H SER G 9 -11.336 2.564 -14.607 1.00 23.75 H new ATOM 0 HA SER G 9 -9.505 4.835 -15.107 1.00 34.20 H new ATOM 0 HB2 SER G 9 -12.414 5.183 -15.839 1.00 40.00 H new ATOM 0 HB3 SER G 9 -11.034 6.154 -16.312 1.00 40.00 H new ATOM 0 HG SER G 9 -11.760 4.760 -18.037 1.00 40.00 H new ATOM 2486 N ILE G 10 -10.997 4.029 -12.683 1.00 20.85 N ATOM 2487 CA ILE G 10 -11.517 4.338 -11.320 1.00 16.84 C ATOM 2488 C ILE G 10 -13.032 4.546 -11.365 1.00 15.20 C ATOM 2489 O ILE G 10 -13.551 5.265 -12.193 1.00 20.38 O ATOM 2490 CB ILE G 10 -10.831 5.598 -10.776 1.00 20.85 C ATOM 2491 CG1 ILE G 10 -9.328 5.339 -10.670 1.00 26.32 C ATOM 2492 CG2 ILE G 10 -11.382 5.932 -9.388 1.00 19.02 C ATOM 2493 CD1 ILE G 10 -8.626 5.891 -11.911 1.00 37.27 C ATOM 0 H ILE G 10 -10.570 3.108 -12.779 1.00 20.85 H new ATOM 0 HA ILE G 10 -11.299 3.498 -10.660 1.00 16.84 H new ATOM 0 HB ILE G 10 -11.021 6.434 -11.449 1.00 20.85 H new ATOM 0 HG12 ILE G 10 -8.929 5.812 -9.773 1.00 26.32 H new ATOM 0 HG13 ILE G 10 -9.138 4.270 -10.577 1.00 26.32 H new ATOM 0 HG21 ILE G 10 -10.891 6.828 -9.007 1.00 19.02 H new ATOM 0 HG22 ILE G 10 -12.456 6.108 -9.455 1.00 19.02 H new ATOM 0 HG23 ILE G 10 -11.193 5.099 -8.711 1.00 19.02 H new ATOM 0 HD11 ILE G 10 -7.554 5.706 -11.835 1.00 37.27 H new ATOM 0 HD12 ILE G 10 -9.017 5.397 -12.800 1.00 37.27 H new ATOM 0 HD13 ILE G 10 -8.805 6.964 -11.983 1.00 37.27 H new ATOM 2505 N CYS G 11 -13.737 3.920 -10.462 1.00 12.17 N ATOM 2506 CA CYS G 11 -15.216 4.070 -10.419 1.00 13.64 C ATOM 2507 C CYS G 11 -15.565 5.325 -9.620 1.00 14.80 C ATOM 2508 O CYS G 11 -14.710 5.946 -9.020 1.00 16.01 O ATOM 2509 CB CYS G 11 -15.832 2.854 -9.724 1.00 14.41 C ATOM 2510 SG CYS G 11 -15.812 1.430 -10.839 1.00 15.60 S ATOM 0 H CYS G 11 -13.346 3.306 -9.747 1.00 12.17 H new ATOM 0 HA CYS G 11 -15.605 4.150 -11.434 1.00 13.64 H new ATOM 0 HB2 CYS G 11 -15.276 2.623 -8.816 1.00 14.41 H new ATOM 0 HB3 CYS G 11 -16.856 3.076 -9.423 1.00 14.41 H new ATOM 2515 N SER G 12 -16.813 5.699 -9.596 1.00 16.84 N ATOM 2516 CA SER G 12 -17.211 6.907 -8.823 1.00 19.92 C ATOM 2517 C SER G 12 -17.578 6.493 -7.400 1.00 19.47 C ATOM 2518 O SER G 12 -17.854 5.341 -7.129 1.00 18.13 O ATOM 2519 CB SER G 12 -18.421 7.567 -9.483 1.00 23.75 C ATOM 2520 OG SER G 12 -18.017 8.166 -10.706 1.00 40.00 O ATOM 0 H SER G 12 -17.574 5.221 -10.078 1.00 16.84 H new ATOM 0 HA SER G 12 -16.381 7.613 -8.802 1.00 19.92 H new ATOM 0 HB2 SER G 12 -19.199 6.826 -9.667 1.00 23.75 H new ATOM 0 HB3 SER G 12 -18.847 8.319 -8.819 1.00 23.75 H new ATOM 0 HG SER G 12 -18.790 8.589 -11.134 1.00 40.00 H new ATOM 2526 N LEU G 13 -17.585 7.425 -6.491 1.00 22.76 N ATOM 2527 CA LEU G 13 -17.930 7.092 -5.082 1.00 24.76 C ATOM 2528 C LEU G 13 -19.295 6.400 -5.032 1.00 25.28 C ATOM 2529 O LEU G 13 -19.488 5.440 -4.315 1.00 24.76 O ATOM 2530 CB LEU G 13 -17.977 8.379 -4.259 1.00 31.85 C ATOM 2531 CG LEU G 13 -18.187 8.039 -2.786 1.00 35.41 C ATOM 2532 CD1 LEU G 13 -17.375 9.005 -1.921 1.00 40.00 C ATOM 2533 CD2 LEU G 13 -19.672 8.173 -2.444 1.00 40.00 C ATOM 0 H LEU G 13 -17.366 8.406 -6.663 1.00 22.76 H new ATOM 0 HA LEU G 13 -17.175 6.421 -4.672 1.00 24.76 H new ATOM 0 HB2 LEU G 13 -17.049 8.937 -4.385 1.00 31.85 H new ATOM 0 HB3 LEU G 13 -18.785 9.020 -4.613 1.00 31.85 H new ATOM 0 HG LEU G 13 -17.859 7.017 -2.595 1.00 35.41 H new ATOM 0 HD11 LEU G 13 -17.524 8.764 -0.868 1.00 40.00 H new ATOM 0 HD12 LEU G 13 -16.317 8.914 -2.168 1.00 40.00 H new ATOM 0 HD13 LEU G 13 -17.705 10.027 -2.109 1.00 40.00 H new ATOM 0 HD21 LEU G 13 -19.826 7.931 -1.393 1.00 40.00 H new ATOM 0 HD22 LEU G 13 -19.998 9.196 -2.633 1.00 40.00 H new ATOM 0 HD23 LEU G 13 -20.251 7.488 -3.063 1.00 40.00 H new ATOM 2545 N TYR G 14 -20.247 6.880 -5.784 1.00 28.47 N ATOM 2546 CA TYR G 14 -21.599 6.248 -5.769 1.00 32.43 C ATOM 2547 C TYR G 14 -21.536 4.870 -6.420 1.00 28.47 C ATOM 2548 O TYR G 14 -22.227 3.954 -6.022 1.00 31.27 O ATOM 2549 CB TYR G 14 -22.580 7.123 -6.550 1.00 40.00 C ATOM 2550 CG TYR G 14 -22.664 8.477 -5.897 1.00 40.00 C ATOM 2551 CD1 TYR G 14 -21.697 9.508 -6.238 1.00 40.00 C ATOM 2552 CD2 TYR G 14 -23.707 8.749 -4.921 1.00 40.00 C ATOM 2553 CE1 TYR G 14 -21.772 10.813 -5.601 1.00 40.00 C ATOM 2554 CE2 TYR G 14 -23.781 10.054 -4.283 1.00 40.00 C ATOM 2555 CZ TYR G 14 -22.813 11.087 -4.623 1.00 40.00 C ATOM 2556 OH TYR G 14 -22.880 12.327 -4.016 1.00 40.00 O ATOM 0 H TYR G 14 -20.149 7.681 -6.408 1.00 28.47 H new ATOM 0 HA TYR G 14 -21.932 6.147 -4.736 1.00 32.43 H new ATOM 0 HB2 TYR G 14 -22.251 7.225 -7.584 1.00 40.00 H new ATOM 0 HB3 TYR G 14 -23.564 6.655 -6.573 1.00 40.00 H new ATOM 0 HD1 TYR G 14 -20.924 9.305 -6.964 1.00 40.00 H new ATOM 0 HD2 TYR G 14 -24.426 7.983 -4.670 1.00 40.00 H new ATOM 0 HE1 TYR G 14 -21.054 11.579 -5.854 1.00 40.00 H new ATOM 0 HE2 TYR G 14 -24.554 10.257 -3.557 1.00 40.00 H new ATOM 0 HH TYR G 14 -23.634 12.344 -3.390 1.00 40.00 H new ATOM 2566 N GLN G 15 -20.726 4.714 -7.426 1.00 24.76 N ATOM 2567 CA GLN G 15 -20.635 3.393 -8.105 1.00 23.26 C ATOM 2568 C GLN G 15 -20.093 2.349 -7.131 1.00 19.92 C ATOM 2569 O GLN G 15 -20.467 1.194 -7.174 1.00 21.79 O ATOM 2570 CB GLN G 15 -19.695 3.503 -9.306 1.00 23.26 C ATOM 2571 CG GLN G 15 -20.510 3.810 -10.560 1.00 29.57 C ATOM 2572 CD GLN G 15 -19.562 4.050 -11.731 1.00 26.32 C ATOM 2573 OE1 GLN G 15 -18.944 5.092 -11.822 1.00 40.00 O ATOM 2574 NE2 GLN G 15 -19.418 3.124 -12.638 1.00 40.00 N ATOM 0 H GLN G 15 -20.123 5.443 -7.808 1.00 24.76 H new ATOM 0 HA GLN G 15 -21.627 3.092 -8.442 1.00 23.26 H new ATOM 0 HB2 GLN G 15 -18.959 4.289 -9.135 1.00 23.26 H new ATOM 0 HB3 GLN G 15 -19.143 2.572 -9.436 1.00 23.26 H new ATOM 0 HG2 GLN G 15 -21.180 2.980 -10.784 1.00 29.57 H new ATOM 0 HG3 GLN G 15 -21.134 4.689 -10.396 1.00 29.57 H new ATOM 0 HE21 GLN G 15 -19.937 2.249 -12.561 1.00 40.00 H new ATOM 0 HE22 GLN G 15 -18.786 3.274 -13.424 1.00 40.00 H new ATOM 2583 N LEU G 16 -19.209 2.742 -6.258 1.00 17.27 N ATOM 2584 CA LEU G 16 -18.638 1.765 -5.288 1.00 15.20 C ATOM 2585 C LEU G 16 -19.716 1.331 -4.293 1.00 18.57 C ATOM 2586 O LEU G 16 -19.744 0.201 -3.848 1.00 20.38 O ATOM 2587 CB LEU G 16 -17.478 2.420 -4.538 1.00 14.03 C ATOM 2588 CG LEU G 16 -16.380 2.803 -5.532 1.00 12.90 C ATOM 2589 CD1 LEU G 16 -15.283 3.586 -4.810 1.00 14.80 C ATOM 2590 CD2 LEU G 16 -15.781 1.535 -6.141 1.00 12.53 C ATOM 0 H LEU G 16 -18.857 3.696 -6.173 1.00 17.27 H new ATOM 0 HA LEU G 16 -18.277 0.888 -5.825 1.00 15.20 H new ATOM 0 HB2 LEU G 16 -17.828 3.305 -4.007 1.00 14.03 H new ATOM 0 HB3 LEU G 16 -17.082 1.735 -3.789 1.00 14.03 H new ATOM 0 HG LEU G 16 -16.807 3.422 -6.321 1.00 12.90 H new ATOM 0 HD11 LEU G 16 -14.502 3.858 -5.520 1.00 14.80 H new ATOM 0 HD12 LEU G 16 -15.708 4.490 -4.375 1.00 14.80 H new ATOM 0 HD13 LEU G 16 -14.856 2.969 -4.020 1.00 14.80 H new ATOM 0 HD21 LEU G 16 -14.998 1.806 -6.850 1.00 12.53 H new ATOM 0 HD22 LEU G 16 -15.356 0.917 -5.350 1.00 12.53 H new ATOM 0 HD23 LEU G 16 -16.561 0.976 -6.658 1.00 12.53 H new ATOM 2602 N GLU G 17 -20.604 2.219 -3.940 1.00 20.85 N ATOM 2603 CA GLU G 17 -21.679 1.858 -2.970 1.00 26.32 C ATOM 2604 C GLU G 17 -22.490 0.673 -3.499 1.00 29.57 C ATOM 2605 O GLU G 17 -22.940 -0.167 -2.746 1.00 34.81 O ATOM 2606 CB GLU G 17 -22.608 3.054 -2.777 1.00 31.27 C ATOM 2607 CG GLU G 17 -22.094 3.911 -1.621 1.00 40.00 C ATOM 2608 CD GLU G 17 -23.236 4.772 -1.082 1.00 40.00 C ATOM 2609 OE1 GLU G 17 -24.166 4.208 -0.526 1.00 40.00 O ATOM 2610 OE2 GLU G 17 -23.162 5.983 -1.235 1.00 40.00 O ATOM 0 H GLU G 17 -20.633 3.180 -4.281 1.00 20.85 H new ATOM 0 HA GLU G 17 -21.222 1.584 -2.019 1.00 26.32 H new ATOM 0 HB2 GLU G 17 -22.653 3.646 -3.691 1.00 31.27 H new ATOM 0 HB3 GLU G 17 -23.622 2.712 -2.569 1.00 31.27 H new ATOM 0 HG2 GLU G 17 -21.699 3.274 -0.829 1.00 40.00 H new ATOM 0 HG3 GLU G 17 -21.274 4.545 -1.960 1.00 40.00 H new ATOM 2617 N ASN G 18 -22.685 0.596 -4.787 1.00 30.13 N ATOM 2618 CA ASN G 18 -23.473 -0.536 -5.359 1.00 36.65 C ATOM 2619 C ASN G 18 -22.878 -1.867 -4.895 1.00 33.01 C ATOM 2620 O ASN G 18 -23.578 -2.843 -4.716 1.00 37.27 O ATOM 2621 CB ASN G 18 -23.429 -0.469 -6.886 1.00 40.00 C ATOM 2622 CG ASN G 18 -24.048 0.848 -7.354 1.00 37.90 C ATOM 2623 OD1 ASN G 18 -23.734 1.903 -6.835 1.00 40.00 O ATOM 2624 ND2 ASN G 18 -24.924 0.833 -8.321 1.00 40.00 N ATOM 0 H ASN G 18 -22.333 1.268 -5.469 1.00 30.13 H new ATOM 0 HA ASN G 18 -24.506 -0.462 -5.018 1.00 36.65 H new ATOM 0 HB2 ASN G 18 -22.399 -0.544 -7.235 1.00 40.00 H new ATOM 0 HB3 ASN G 18 -23.972 -1.311 -7.314 1.00 40.00 H new ATOM 0 HD21 ASN G 18 -25.345 1.705 -8.641 1.00 40.00 H new ATOM 0 HD22 ASN G 18 -25.188 -0.051 -8.757 1.00 40.00 H new ATOM 2631 N TYR G 19 -21.591 -1.914 -4.699 1.00 28.47 N ATOM 2632 CA TYR G 19 -20.956 -3.183 -4.245 1.00 27.38 C ATOM 2633 C TYR G 19 -20.935 -3.256 -2.710 1.00 26.85 C ATOM 2634 O TYR G 19 -20.673 -4.297 -2.140 1.00 40.00 O ATOM 2635 CB TYR G 19 -19.526 -3.246 -4.779 1.00 27.38 C ATOM 2636 CG TYR G 19 -19.546 -3.025 -6.272 1.00 26.85 C ATOM 2637 CD1 TYR G 19 -19.715 -4.155 -7.172 1.00 40.00 C ATOM 2638 CD2 TYR G 19 -19.401 -1.682 -6.810 1.00 40.00 C ATOM 2639 CE1 TYR G 19 -19.737 -3.941 -8.611 1.00 40.00 C ATOM 2640 CE2 TYR G 19 -19.423 -1.468 -8.249 1.00 40.00 C ATOM 2641 CZ TYR G 19 -19.591 -2.599 -9.149 1.00 31.27 C ATOM 2642 OH TYR G 19 -19.613 -2.396 -10.514 1.00 35.41 O ATOM 0 H TYR G 19 -20.952 -1.131 -4.833 1.00 28.47 H new ATOM 0 HA TYR G 19 -21.534 -4.025 -4.625 1.00 27.38 H new ATOM 0 HB2 TYR G 19 -18.910 -2.488 -4.295 1.00 27.38 H new ATOM 0 HB3 TYR G 19 -19.081 -4.214 -4.548 1.00 27.38 H new ATOM 0 HD1 TYR G 19 -19.824 -5.152 -6.772 1.00 40.00 H new ATOM 0 HD2 TYR G 19 -19.277 -0.843 -6.141 1.00 40.00 H new ATOM 0 HE1 TYR G 19 -19.862 -4.780 -9.280 1.00 40.00 H new ATOM 0 HE2 TYR G 19 -19.315 -0.471 -8.649 1.00 40.00 H new ATOM 0 HH TYR G 19 -19.203 -3.163 -10.965 1.00 35.41 H new ATOM 2652 N CYS G 20 -21.204 -2.169 -2.032 1.00 22.28 N ATOM 2653 CA CYS G 20 -21.192 -2.203 -0.544 1.00 24.76 C ATOM 2654 C CYS G 20 -22.148 -3.286 -0.044 1.00 33.01 C ATOM 2655 O CYS G 20 -23.078 -3.671 -0.724 1.00 40.00 O ATOM 2656 CB CYS G 20 -21.639 -0.846 -0.008 1.00 23.75 C ATOM 2657 SG CYS G 20 -21.010 -0.630 1.671 1.00 30.13 S ATOM 0 H CYS G 20 -21.430 -1.264 -2.445 1.00 22.28 H new ATOM 0 HA CYS G 20 -20.184 -2.425 -0.194 1.00 24.76 H new ATOM 0 HB2 CYS G 20 -21.270 -0.048 -0.652 1.00 23.75 H new ATOM 0 HB3 CYS G 20 -22.727 -0.781 -0.012 1.00 23.75 H new ATOM 2662 N ASN G 21 -21.924 -3.780 1.140 1.00 25.80 N ATOM 2663 CA ASN G 21 -22.814 -4.838 1.686 1.00 35.41 C ATOM 2664 C ASN G 21 -23.991 -4.189 2.414 1.00 40.00 C ATOM 2665 O ASN G 21 -24.978 -3.896 1.759 1.00 40.00 O ATOM 2666 CB ASN G 21 -22.022 -5.703 2.669 1.00 40.00 C ATOM 2667 CG ASN G 21 -22.934 -6.789 3.237 1.00 40.00 C ATOM 2668 OD1 ASN G 21 -23.886 -6.494 3.933 1.00 40.00 O ATOM 2669 ND2 ASN G 21 -22.684 -8.042 2.966 1.00 40.00 N ATOM 2670 OXT ASN G 21 -23.888 -4.000 3.615 1.00 40.00 O ATOM 0 H ASN G 21 -21.161 -3.496 1.754 1.00 25.80 H new ATOM 0 HA ASN G 21 -23.189 -5.457 0.871 1.00 35.41 H new ATOM 0 HB2 ASN G 21 -21.168 -6.156 2.166 1.00 40.00 H new ATOM 0 HB3 ASN G 21 -21.626 -5.086 3.476 1.00 40.00 H new ATOM 0 HD21 ASN G 21 -23.288 -8.775 3.339 1.00 40.00 H new ATOM 0 HD22 ASN G 21 -21.885 -8.288 2.382 1.00 40.00 H new TER 2677 ASN G 21 ATOM 2678 N PHE H 1 2.673 -4.609 -16.168 1.00 40.00 N ATOM 2679 CA PHE H 1 1.334 -3.976 -15.996 1.00 40.00 C ATOM 2680 C PHE H 1 0.411 -4.933 -15.220 1.00 40.00 C ATOM 2681 O PHE H 1 -0.799 -4.879 -15.342 1.00 40.00 O ATOM 2682 CB PHE H 1 0.735 -3.664 -17.382 1.00 40.00 C ATOM 2683 CG PHE H 1 0.458 -4.950 -18.140 1.00 40.00 C ATOM 2684 CD1 PHE H 1 1.560 -5.759 -18.634 1.00 40.00 C ATOM 2685 CD2 PHE H 1 -0.915 -5.380 -18.357 1.00 40.00 C ATOM 2686 CE1 PHE H 1 1.290 -7.000 -19.345 1.00 40.00 C ATOM 2687 CE2 PHE H 1 -1.186 -6.619 -19.069 1.00 40.00 C ATOM 2688 CZ PHE H 1 -0.083 -7.429 -19.562 1.00 40.00 C ATOM 0 H1 PHE H 1 3.303 -3.956 -16.677 1.00 40.00 H new ATOM 0 H2 PHE H 1 3.078 -4.823 -15.234 1.00 40.00 H new ATOM 0 H3 PHE H 1 2.573 -5.489 -16.712 1.00 40.00 H new ATOM 0 HA PHE H 1 1.433 -3.047 -15.434 1.00 40.00 H new ATOM 0 HB2 PHE H 1 -0.188 -3.096 -17.267 1.00 40.00 H new ATOM 0 HB3 PHE H 1 1.424 -3.040 -17.951 1.00 40.00 H new ATOM 0 HD1 PHE H 1 2.579 -5.439 -18.473 1.00 40.00 H new ATOM 0 HD2 PHE H 1 -1.733 -4.779 -17.989 1.00 40.00 H new ATOM 0 HE1 PHE H 1 2.108 -7.602 -19.711 1.00 40.00 H new ATOM 0 HE2 PHE H 1 -2.205 -6.937 -19.231 1.00 40.00 H new ATOM 0 HZ PHE H 1 -0.284 -8.350 -20.090 1.00 40.00 H new ATOM 2700 N VAL H 2 0.971 -5.821 -14.435 1.00 40.00 N ATOM 2701 CA VAL H 2 0.133 -6.796 -13.662 1.00 40.00 C ATOM 2702 C VAL H 2 -1.005 -6.079 -12.938 1.00 31.27 C ATOM 2703 O VAL H 2 -0.809 -5.456 -11.913 1.00 40.00 O ATOM 2704 CB VAL H 2 1.008 -7.499 -12.635 1.00 40.00 C ATOM 2705 CG1 VAL H 2 2.023 -8.372 -13.366 1.00 40.00 C ATOM 2706 CG2 VAL H 2 1.738 -6.451 -11.787 1.00 40.00 C ATOM 0 H VAL H 2 1.977 -5.914 -14.295 1.00 40.00 H new ATOM 0 HA VAL H 2 -0.294 -7.518 -14.358 1.00 40.00 H new ATOM 0 HB VAL H 2 0.394 -8.121 -11.983 1.00 40.00 H new ATOM 0 HG11 VAL H 2 2.656 -8.881 -12.639 1.00 40.00 H new ATOM 0 HG12 VAL H 2 1.498 -9.112 -13.971 1.00 40.00 H new ATOM 0 HG13 VAL H 2 2.641 -7.748 -14.012 1.00 40.00 H new ATOM 0 HG21 VAL H 2 2.366 -6.952 -11.050 1.00 40.00 H new ATOM 0 HG22 VAL H 2 2.360 -5.830 -12.432 1.00 40.00 H new ATOM 0 HG23 VAL H 2 1.008 -5.824 -11.275 1.00 40.00 H new ATOM 2716 N ASN H 3 -2.187 -6.156 -13.473 1.00 31.85 N ATOM 2717 CA ASN H 3 -3.336 -5.472 -12.828 1.00 40.00 C ATOM 2718 C ASN H 3 -4.267 -6.520 -12.209 1.00 40.00 C ATOM 2719 O ASN H 3 -3.928 -7.684 -12.112 1.00 40.00 O ATOM 2720 CB ASN H 3 -4.081 -4.649 -13.887 1.00 40.00 C ATOM 2721 CG ASN H 3 -3.533 -3.216 -13.896 1.00 40.00 C ATOM 2722 OD1 ASN H 3 -4.290 -2.261 -13.883 1.00 40.00 O ATOM 2723 ND2 ASN H 3 -2.241 -3.023 -13.921 1.00 40.00 N ATOM 0 H ASN H 3 -2.407 -6.663 -14.330 1.00 31.85 H new ATOM 0 HA ASN H 3 -2.987 -4.806 -12.039 1.00 40.00 H new ATOM 0 HB2 ASN H 3 -3.958 -5.104 -14.870 1.00 40.00 H new ATOM 0 HB3 ASN H 3 -5.149 -4.640 -13.672 1.00 40.00 H new ATOM 0 HD21 ASN H 3 -1.867 -2.074 -13.930 1.00 40.00 H new ATOM 0 HD22 ASN H 3 -1.606 -3.821 -13.932 1.00 40.00 H new ATOM 2730 N GLN H 4 -5.432 -6.115 -11.788 1.00 30.13 N ATOM 2731 CA GLN H 4 -6.389 -7.072 -11.168 1.00 22.28 C ATOM 2732 C GLN H 4 -5.753 -7.704 -9.919 1.00 20.85 C ATOM 2733 O GLN H 4 -5.969 -7.248 -8.814 1.00 21.32 O ATOM 2734 CB GLN H 4 -6.770 -8.156 -12.186 1.00 24.26 C ATOM 2735 CG GLN H 4 -7.695 -9.190 -11.520 1.00 36.03 C ATOM 2736 CD GLN H 4 -8.974 -9.378 -12.345 1.00 40.00 C ATOM 2737 OE1 GLN H 4 -9.198 -8.693 -13.323 1.00 40.00 O ATOM 2738 NE2 GLN H 4 -9.834 -10.293 -11.985 1.00 40.00 N ATOM 0 H GLN H 4 -5.765 -5.153 -11.848 1.00 30.13 H new ATOM 0 HA GLN H 4 -7.293 -6.541 -10.869 1.00 22.28 H new ATOM 0 HB2 GLN H 4 -7.270 -7.704 -13.043 1.00 24.26 H new ATOM 0 HB3 GLN H 4 -5.872 -8.646 -12.563 1.00 24.26 H new ATOM 0 HG2 GLN H 4 -7.175 -10.143 -11.423 1.00 36.03 H new ATOM 0 HG3 GLN H 4 -7.950 -8.862 -10.512 1.00 36.03 H new ATOM 0 HE21 GLN H 4 -9.651 -10.871 -11.165 1.00 40.00 H new ATOM 0 HE22 GLN H 4 -10.689 -10.430 -12.524 1.00 40.00 H new ATOM 2747 N HIS H 5 -4.985 -8.751 -10.075 1.00 24.26 N ATOM 2748 CA HIS H 5 -4.361 -9.400 -8.884 1.00 26.85 C ATOM 2749 C HIS H 5 -3.562 -8.373 -8.080 1.00 29.57 C ATOM 2750 O HIS H 5 -3.290 -8.566 -6.915 1.00 40.00 O ATOM 2751 CB HIS H 5 -3.432 -10.522 -9.334 1.00 25.80 C ATOM 2752 CG HIS H 5 -3.203 -11.459 -8.183 1.00 30.70 C ATOM 2753 ND1 HIS H 5 -4.163 -12.369 -7.771 1.00 31.27 N ATOM 2754 CD2 HIS H 5 -2.132 -11.637 -7.344 1.00 40.00 C ATOM 2755 CE1 HIS H 5 -3.655 -13.049 -6.728 1.00 38.53 C ATOM 2756 NE2 HIS H 5 -2.420 -12.643 -6.426 1.00 40.00 N ATOM 0 H HIS H 5 -4.764 -9.183 -10.972 1.00 24.26 H new ATOM 0 HA HIS H 5 -5.152 -9.810 -8.256 1.00 26.85 H new ATOM 0 HB2 HIS H 5 -3.870 -11.059 -10.175 1.00 25.80 H new ATOM 0 HB3 HIS H 5 -2.483 -10.110 -9.678 1.00 25.80 H new ATOM 0 HD1 HIS H 5 -5.087 -12.499 -8.184 1.00 31.27 H new ATOM 0 HD2 HIS H 5 -1.207 -11.081 -7.389 1.00 40.00 H new ATOM 0 HE1 HIS H 5 -4.182 -13.829 -6.199 1.00 38.53 H new ATOM 2764 N LEU H 6 -3.178 -7.290 -8.691 1.00 25.28 N ATOM 2765 CA LEU H 6 -2.400 -6.249 -7.959 1.00 30.13 C ATOM 2766 C LEU H 6 -3.239 -4.967 -7.846 1.00 25.80 C ATOM 2767 O LEU H 6 -3.044 -4.156 -6.964 1.00 27.92 O ATOM 2768 CB LEU H 6 -1.119 -5.948 -8.741 1.00 40.00 C ATOM 2769 CG LEU H 6 0.099 -6.240 -7.867 1.00 40.00 C ATOM 2770 CD1 LEU H 6 0.181 -7.743 -7.585 1.00 40.00 C ATOM 2771 CD2 LEU H 6 1.366 -5.789 -8.599 1.00 40.00 C ATOM 0 H LEU H 6 -3.369 -7.078 -9.670 1.00 25.28 H new ATOM 0 HA LEU H 6 -2.152 -6.608 -6.960 1.00 30.13 H new ATOM 0 HB2 LEU H 6 -1.083 -6.555 -9.646 1.00 40.00 H new ATOM 0 HB3 LEU H 6 -1.111 -4.905 -9.056 1.00 40.00 H new ATOM 0 HG LEU H 6 0.008 -5.700 -6.924 1.00 40.00 H new ATOM 0 HD11 LEU H 6 1.051 -7.949 -6.961 1.00 40.00 H new ATOM 0 HD12 LEU H 6 -0.722 -8.066 -7.067 1.00 40.00 H new ATOM 0 HD13 LEU H 6 0.273 -8.285 -8.526 1.00 40.00 H new ATOM 0 HD21 LEU H 6 2.238 -5.996 -7.978 1.00 40.00 H new ATOM 0 HD22 LEU H 6 1.454 -6.331 -9.541 1.00 40.00 H new ATOM 0 HD23 LEU H 6 1.309 -4.719 -8.800 1.00 40.00 H new ATOM 2783 N CYS H 7 -4.163 -4.781 -8.748 1.00 26.32 N ATOM 2784 CA CYS H 7 -5.024 -3.568 -8.744 1.00 24.76 C ATOM 2785 C CYS H 7 -6.145 -3.718 -7.713 1.00 17.70 C ATOM 2786 O CYS H 7 -6.417 -2.825 -6.937 1.00 15.20 O ATOM 2787 CB CYS H 7 -5.640 -3.475 -10.131 1.00 33.01 C ATOM 2788 SG CYS H 7 -6.533 -1.928 -10.357 1.00 23.75 S ATOM 0 H CYS H 7 -4.360 -5.436 -9.505 1.00 26.32 H new ATOM 0 HA CYS H 7 -4.442 -2.681 -8.493 1.00 24.76 H new ATOM 0 HB2 CYS H 7 -4.856 -3.557 -10.884 1.00 33.01 H new ATOM 0 HB3 CYS H 7 -6.319 -4.314 -10.285 1.00 33.01 H new ATOM 2793 N GLY H 8 -6.809 -4.838 -7.725 1.00 18.57 N ATOM 2794 CA GLY H 8 -7.934 -5.065 -6.776 1.00 15.60 C ATOM 2795 C GLY H 8 -7.495 -4.796 -5.338 1.00 14.80 C ATOM 2796 O GLY H 8 -8.248 -4.265 -4.548 1.00 13.27 O ATOM 0 H GLY H 8 -6.619 -5.615 -8.358 1.00 18.57 H new ATOM 0 HA2 GLY H 8 -8.770 -4.414 -7.033 1.00 15.60 H new ATOM 0 HA3 GLY H 8 -8.290 -6.091 -6.866 1.00 15.60 H new ATOM 2800 N SER H 9 -6.298 -5.173 -4.980 1.00 19.47 N ATOM 2801 CA SER H 9 -5.830 -4.955 -3.574 1.00 23.75 C ATOM 2802 C SER H 9 -6.052 -3.508 -3.146 1.00 21.79 C ATOM 2803 O SER H 9 -6.197 -3.221 -1.974 1.00 32.43 O ATOM 2804 CB SER H 9 -4.337 -5.261 -3.473 1.00 30.70 C ATOM 2805 OG SER H 9 -3.711 -4.951 -4.713 1.00 40.00 O ATOM 0 H SER H 9 -5.621 -5.623 -5.597 1.00 19.47 H new ATOM 0 HA SER H 9 -6.401 -5.618 -2.923 1.00 23.75 H new ATOM 0 HB2 SER H 9 -3.888 -4.678 -2.669 1.00 30.70 H new ATOM 0 HB3 SER H 9 -4.185 -6.312 -3.228 1.00 30.70 H new ATOM 0 HG SER H 9 -3.704 -5.747 -5.284 1.00 40.00 H new ATOM 2811 N HIS H 10 -6.052 -2.593 -4.071 1.00 15.20 N ATOM 2812 CA HIS H 10 -6.232 -1.168 -3.691 1.00 15.60 C ATOM 2813 C HIS H 10 -7.657 -0.707 -3.980 1.00 10.78 C ATOM 2814 O HIS H 10 -8.115 0.272 -3.425 1.00 10.78 O ATOM 2815 CB HIS H 10 -5.217 -0.329 -4.450 1.00 20.85 C ATOM 2816 CG HIS H 10 -3.848 -0.830 -4.085 1.00 31.85 C ATOM 2817 ND1 HIS H 10 -3.515 -1.167 -2.782 1.00 40.00 N ATOM 2818 CD2 HIS H 10 -2.731 -1.089 -4.837 1.00 37.90 C ATOM 2819 CE1 HIS H 10 -2.245 -1.610 -2.789 1.00 40.00 C ATOM 2820 NE2 HIS H 10 -1.720 -1.584 -4.016 1.00 40.00 N ATOM 0 H HIS H 10 -5.936 -2.769 -5.069 1.00 15.20 H new ATOM 0 HA HIS H 10 -6.067 -1.049 -2.620 1.00 15.60 H new ATOM 0 HB2 HIS H 10 -5.380 -0.410 -5.525 1.00 20.85 H new ATOM 0 HB3 HIS H 10 -5.321 0.725 -4.191 1.00 20.85 H new ATOM 0 HD1 HIS H 10 -4.123 -1.093 -1.966 1.00 40.00 H new ATOM 0 HD2 HIS H 10 -2.648 -0.933 -5.902 1.00 37.90 H new ATOM 0 HE1 HIS H 10 -1.715 -1.946 -1.910 1.00 40.00 H new ATOM 2828 N LEU H 11 -8.380 -1.413 -4.810 1.00 9.47 N ATOM 2829 CA LEU H 11 -9.790 -1.009 -5.072 1.00 7.67 C ATOM 2830 C LEU H 11 -10.570 -1.275 -3.792 1.00 6.32 C ATOM 2831 O LEU H 11 -11.444 -0.528 -3.407 1.00 6.32 O ATOM 2832 CB LEU H 11 -10.392 -1.846 -6.203 1.00 8.55 C ATOM 2833 CG LEU H 11 -9.479 -1.822 -7.423 1.00 7.96 C ATOM 2834 CD1 LEU H 11 -10.096 -2.678 -8.527 1.00 10.78 C ATOM 2835 CD2 LEU H 11 -9.326 -0.386 -7.921 1.00 8.85 C ATOM 0 H LEU H 11 -8.059 -2.241 -5.311 1.00 9.47 H new ATOM 0 HA LEU H 11 -9.833 0.040 -5.365 1.00 7.67 H new ATOM 0 HB2 LEU H 11 -10.535 -2.873 -5.868 1.00 8.55 H new ATOM 0 HB3 LEU H 11 -11.375 -1.457 -6.468 1.00 8.55 H new ATOM 0 HG LEU H 11 -8.499 -2.217 -7.154 1.00 7.96 H new ATOM 0 HD11 LEU H 11 -9.447 -2.665 -9.403 1.00 10.78 H new ATOM 0 HD12 LEU H 11 -10.207 -3.703 -8.173 1.00 10.78 H new ATOM 0 HD13 LEU H 11 -11.074 -2.278 -8.794 1.00 10.78 H new ATOM 0 HD21 LEU H 11 -8.673 -0.371 -8.793 1.00 8.85 H new ATOM 0 HD22 LEU H 11 -10.304 0.011 -8.193 1.00 8.85 H new ATOM 0 HD23 LEU H 11 -8.892 0.228 -7.132 1.00 8.85 H new ATOM 2847 N VAL H 12 -10.242 -2.351 -3.132 1.00 7.67 N ATOM 2848 CA VAL H 12 -10.937 -2.710 -1.868 1.00 9.16 C ATOM 2849 C VAL H 12 -10.635 -1.661 -0.795 1.00 9.47 C ATOM 2850 O VAL H 12 -11.470 -1.345 0.025 1.00 10.12 O ATOM 2851 CB VAL H 12 -10.460 -4.079 -1.385 1.00 16.01 C ATOM 2852 CG1 VAL H 12 -10.794 -5.133 -2.441 1.00 24.76 C ATOM 2853 CG2 VAL H 12 -8.948 -4.049 -1.152 1.00 32.43 C ATOM 0 H VAL H 12 -9.513 -3.004 -3.420 1.00 7.67 H new ATOM 0 HA VAL H 12 -12.011 -2.744 -2.051 1.00 9.16 H new ATOM 0 HB VAL H 12 -10.961 -4.327 -0.449 1.00 16.01 H new ATOM 0 HG11 VAL H 12 -10.455 -6.111 -2.099 1.00 24.76 H new ATOM 0 HG12 VAL H 12 -11.872 -5.158 -2.601 1.00 24.76 H new ATOM 0 HG13 VAL H 12 -10.294 -4.882 -3.376 1.00 24.76 H new ATOM 0 HG21 VAL H 12 -8.613 -5.028 -0.808 1.00 32.43 H new ATOM 0 HG22 VAL H 12 -8.441 -3.799 -2.084 1.00 32.43 H new ATOM 0 HG23 VAL H 12 -8.711 -3.299 -0.398 1.00 32.43 H new ATOM 2863 N GLU H 13 -9.451 -1.117 -0.793 1.00 11.12 N ATOM 2864 CA GLU H 13 -9.108 -0.089 0.231 1.00 14.03 C ATOM 2865 C GLU H 13 -10.111 1.057 0.148 1.00 13.27 C ATOM 2866 O GLU H 13 -10.578 1.560 1.145 1.00 17.70 O ATOM 2867 CB GLU H 13 -7.704 0.453 -0.034 1.00 19.47 C ATOM 2868 CG GLU H 13 -6.675 -0.653 0.200 1.00 40.00 C ATOM 2869 CD GLU H 13 -5.301 -0.025 0.432 1.00 40.00 C ATOM 2870 OE1 GLU H 13 -5.120 0.590 1.471 1.00 40.00 O ATOM 2871 OE2 GLU H 13 -4.454 -0.167 -0.435 1.00 40.00 O ATOM 0 H GLU H 13 -8.706 -1.338 -1.454 1.00 11.12 H new ATOM 0 HA GLU H 13 -9.142 -0.541 1.222 1.00 14.03 H new ATOM 0 HB2 GLU H 13 -7.632 0.820 -1.058 1.00 19.47 H new ATOM 0 HB3 GLU H 13 -7.500 1.299 0.623 1.00 19.47 H new ATOM 0 HG2 GLU H 13 -6.962 -1.256 1.062 1.00 40.00 H new ATOM 0 HG3 GLU H 13 -6.641 -1.322 -0.660 1.00 40.00 H new ATOM 2878 N ALA H 14 -10.448 1.471 -1.039 1.00 10.78 N ATOM 2879 CA ALA H 14 -11.425 2.581 -1.189 1.00 11.81 C ATOM 2880 C ALA H 14 -12.839 2.042 -0.983 1.00 9.47 C ATOM 2881 O ALA H 14 -13.724 2.746 -0.543 1.00 11.12 O ATOM 2882 CB ALA H 14 -11.306 3.173 -2.594 1.00 12.90 C ATOM 0 H ALA H 14 -10.088 1.088 -1.913 1.00 10.78 H new ATOM 0 HA ALA H 14 -11.218 3.354 -0.449 1.00 11.81 H new ATOM 0 HB1 ALA H 14 -12.021 3.988 -2.707 1.00 12.90 H new ATOM 0 HB2 ALA H 14 -10.296 3.554 -2.744 1.00 12.90 H new ATOM 0 HB3 ALA H 14 -11.516 2.400 -3.333 1.00 12.90 H new ATOM 2888 N LEU H 15 -13.058 0.796 -1.306 1.00 8.25 N ATOM 2889 CA LEU H 15 -14.415 0.206 -1.140 1.00 9.79 C ATOM 2890 C LEU H 15 -14.863 0.314 0.314 1.00 11.46 C ATOM 2891 O LEU H 15 -15.830 0.984 0.619 1.00 14.03 O ATOM 2892 CB LEU H 15 -14.391 -1.268 -1.526 1.00 10.12 C ATOM 2893 CG LEU H 15 -14.646 -1.422 -3.023 1.00 10.12 C ATOM 2894 CD1 LEU H 15 -14.449 -2.882 -3.427 1.00 11.12 C ATOM 2895 CD2 LEU H 15 -16.079 -1.002 -3.335 1.00 16.01 C ATOM 0 H LEU H 15 -12.353 0.160 -1.679 1.00 8.25 H new ATOM 0 HA LEU H 15 -15.106 0.752 -1.782 1.00 9.79 H new ATOM 0 HB2 LEU H 15 -13.426 -1.704 -1.267 1.00 10.12 H new ATOM 0 HB3 LEU H 15 -15.149 -1.812 -0.962 1.00 10.12 H new ATOM 0 HG LEU H 15 -13.949 -0.794 -3.578 1.00 10.12 H new ATOM 0 HD11 LEU H 15 -14.631 -2.991 -4.496 1.00 11.12 H new ATOM 0 HD12 LEU H 15 -13.428 -3.188 -3.200 1.00 11.12 H new ATOM 0 HD13 LEU H 15 -15.147 -3.510 -2.874 1.00 11.12 H new ATOM 0 HD21 LEU H 15 -16.265 -1.110 -4.403 1.00 16.01 H new ATOM 0 HD22 LEU H 15 -16.772 -1.634 -2.780 1.00 16.01 H new ATOM 0 HD23 LEU H 15 -16.224 0.039 -3.045 1.00 16.01 H new ATOM 2907 N TYR H 16 -14.192 -0.358 1.219 1.00 16.01 N ATOM 2908 CA TYR H 16 -14.627 -0.292 2.641 1.00 25.80 C ATOM 2909 C TYR H 16 -14.384 1.107 3.215 1.00 19.92 C ATOM 2910 O TYR H 16 -14.906 1.443 4.261 1.00 21.79 O ATOM 2911 CB TYR H 16 -13.960 -1.402 3.479 1.00 40.00 C ATOM 2912 CG TYR H 16 -12.552 -1.062 3.911 1.00 18.13 C ATOM 2913 CD1 TYR H 16 -11.659 -0.320 3.037 1.00 40.00 C ATOM 2914 CD2 TYR H 16 -12.088 -1.515 5.213 1.00 40.00 C ATOM 2915 CE1 TYR H 16 -10.298 -0.030 3.470 1.00 40.00 C ATOM 2916 CE2 TYR H 16 -10.734 -1.223 5.645 1.00 40.00 C ATOM 2917 CZ TYR H 16 -9.837 -0.481 4.775 1.00 40.00 C ATOM 2918 OH TYR H 16 -8.552 -0.207 5.187 1.00 40.00 O ATOM 0 H TYR H 16 -13.375 -0.940 1.034 1.00 16.01 H new ATOM 0 HA TYR H 16 -15.701 -0.474 2.686 1.00 25.80 H new ATOM 0 HB2 TYR H 16 -14.567 -1.594 4.363 1.00 40.00 H new ATOM 0 HB3 TYR H 16 -13.942 -2.324 2.898 1.00 40.00 H new ATOM 0 HD1 TYR H 16 -12.003 0.015 2.070 1.00 40.00 H new ATOM 0 HD2 TYR H 16 -12.752 -2.070 5.859 1.00 40.00 H new ATOM 0 HE1 TYR H 16 -9.631 0.520 2.822 1.00 40.00 H new ATOM 0 HE2 TYR H 16 -10.393 -1.557 6.614 1.00 40.00 H new ATOM 0 HH TYR H 16 -8.529 0.668 5.628 1.00 40.00 H new ATOM 2928 N LEU H 17 -13.652 1.948 2.527 1.00 17.27 N ATOM 2929 CA LEU H 17 -13.462 3.332 3.034 1.00 15.60 C ATOM 2930 C LEU H 17 -14.777 4.072 2.795 1.00 11.81 C ATOM 2931 O LEU H 17 -15.247 4.826 3.621 1.00 12.53 O ATOM 2932 CB LEU H 17 -12.341 4.023 2.263 1.00 20.85 C ATOM 2933 CG LEU H 17 -11.732 5.119 3.131 1.00 19.92 C ATOM 2934 CD1 LEU H 17 -10.539 4.552 3.900 1.00 40.00 C ATOM 2935 CD2 LEU H 17 -11.261 6.267 2.241 1.00 40.00 C ATOM 0 H LEU H 17 -13.184 1.735 1.646 1.00 17.27 H new ATOM 0 HA LEU H 17 -13.194 3.326 4.091 1.00 15.60 H new ATOM 0 HB2 LEU H 17 -11.576 3.298 1.983 1.00 20.85 H new ATOM 0 HB3 LEU H 17 -12.730 4.450 1.338 1.00 20.85 H new ATOM 0 HG LEU H 17 -12.480 5.485 3.834 1.00 19.92 H new ATOM 0 HD11 LEU H 17 -10.102 5.334 4.521 1.00 40.00 H new ATOM 0 HD12 LEU H 17 -10.872 3.729 4.533 1.00 40.00 H new ATOM 0 HD13 LEU H 17 -9.791 4.188 3.195 1.00 40.00 H new ATOM 0 HD21 LEU H 17 -10.825 7.052 2.859 1.00 40.00 H new ATOM 0 HD22 LEU H 17 -10.512 5.900 1.540 1.00 40.00 H new ATOM 0 HD23 LEU H 17 -12.109 6.670 1.688 1.00 40.00 H new ATOM 2947 N VAL H 18 -15.379 3.827 1.663 1.00 10.78 N ATOM 2948 CA VAL H 18 -16.676 4.474 1.338 1.00 11.12 C ATOM 2949 C VAL H 18 -17.768 3.825 2.182 1.00 11.81 C ATOM 2950 O VAL H 18 -18.703 4.468 2.611 1.00 15.60 O ATOM 2951 CB VAL H 18 -16.991 4.259 -0.142 1.00 12.17 C ATOM 2952 CG1 VAL H 18 -18.335 4.904 -0.481 1.00 15.20 C ATOM 2953 CG2 VAL H 18 -15.889 4.891 -0.994 1.00 13.64 C ATOM 0 H VAL H 18 -15.021 3.199 0.944 1.00 10.78 H new ATOM 0 HA VAL H 18 -16.624 5.542 1.547 1.00 11.12 H new ATOM 0 HB VAL H 18 -17.043 3.190 -0.350 1.00 12.17 H new ATOM 0 HG11 VAL H 18 -18.557 4.749 -1.537 1.00 15.20 H new ATOM 0 HG12 VAL H 18 -19.119 4.450 0.125 1.00 15.20 H new ATOM 0 HG13 VAL H 18 -18.288 5.973 -0.273 1.00 15.20 H new ATOM 0 HG21 VAL H 18 -16.113 4.738 -2.050 1.00 13.64 H new ATOM 0 HG22 VAL H 18 -15.835 5.959 -0.785 1.00 13.64 H new ATOM 0 HG23 VAL H 18 -14.933 4.426 -0.755 1.00 13.64 H new ATOM 2963 N CYS H 19 -17.651 2.550 2.426 1.00 11.12 N ATOM 2964 CA CYS H 19 -18.673 1.850 3.247 1.00 15.20 C ATOM 2965 C CYS H 19 -18.464 2.201 4.716 1.00 22.76 C ATOM 2966 O CYS H 19 -19.389 2.205 5.503 1.00 40.00 O ATOM 2967 CB CYS H 19 -18.525 0.342 3.065 1.00 14.41 C ATOM 2968 SG CYS H 19 -19.075 -0.121 1.408 1.00 24.26 S ATOM 0 H CYS H 19 -16.888 1.962 2.090 1.00 11.12 H new ATOM 0 HA CYS H 19 -19.669 2.160 2.932 1.00 15.20 H new ATOM 0 HB2 CYS H 19 -17.486 0.048 3.210 1.00 14.41 H new ATOM 0 HB3 CYS H 19 -19.114 -0.185 3.816 1.00 14.41 H new ATOM 2973 N GLY H 20 -17.253 2.492 5.092 1.00 20.38 N ATOM 2974 CA GLY H 20 -16.978 2.843 6.511 1.00 29.02 C ATOM 2975 C GLY H 20 -16.988 1.576 7.365 1.00 30.70 C ATOM 2976 O GLY H 20 -16.088 0.764 7.300 1.00 40.00 O ATOM 0 H GLY H 20 -16.439 2.502 4.477 1.00 20.38 H new ATOM 0 HA2 GLY H 20 -16.012 3.340 6.592 1.00 29.02 H new ATOM 0 HA3 GLY H 20 -17.729 3.544 6.875 1.00 29.02 H new ATOM 2980 N GLU H 21 -17.998 1.402 8.166 1.00 33.61 N ATOM 2981 CA GLU H 21 -18.064 0.188 9.026 1.00 40.00 C ATOM 2982 C GLU H 21 -18.747 -0.948 8.262 1.00 34.20 C ATOM 2983 O GLU H 21 -18.571 -2.109 8.572 1.00 40.00 O ATOM 2984 CB GLU H 21 -18.869 0.503 10.289 1.00 40.00 C ATOM 2985 CG GLU H 21 -18.014 1.337 11.245 1.00 40.00 C ATOM 2986 CD GLU H 21 -18.922 2.249 12.075 1.00 40.00 C ATOM 2987 OE1 GLU H 21 -19.384 3.243 11.536 1.00 40.00 O ATOM 2988 OE2 GLU H 21 -19.143 1.934 13.235 1.00 40.00 O ATOM 0 H GLU H 21 -18.782 2.047 8.264 1.00 33.61 H new ATOM 0 HA GLU H 21 -17.054 -0.115 9.300 1.00 40.00 H new ATOM 0 HB2 GLU H 21 -19.777 1.047 10.028 1.00 40.00 H new ATOM 0 HB3 GLU H 21 -19.180 -0.422 10.775 1.00 40.00 H new ATOM 0 HG2 GLU H 21 -17.439 0.683 11.901 1.00 40.00 H new ATOM 0 HG3 GLU H 21 -17.297 1.934 10.682 1.00 40.00 H new ATOM 2995 N ARG H 22 -19.530 -0.626 7.270 1.00 25.80 N ATOM 2996 CA ARG H 22 -20.223 -1.693 6.499 1.00 24.76 C ATOM 2997 C ARG H 22 -19.193 -2.610 5.837 1.00 29.57 C ATOM 2998 O ARG H 22 -18.005 -2.357 5.870 1.00 40.00 O ATOM 2999 CB ARG H 22 -21.098 -1.052 5.424 1.00 24.26 C ATOM 3000 CG ARG H 22 -22.534 -0.961 5.936 1.00 36.65 C ATOM 3001 CD ARG H 22 -23.471 -0.651 4.770 1.00 40.00 C ATOM 3002 NE ARG H 22 -23.218 0.737 4.294 1.00 40.00 N ATOM 3003 CZ ARG H 22 -24.037 1.297 3.447 1.00 40.00 C ATOM 3004 NH1 ARG H 22 -24.707 0.561 2.597 1.00 40.00 N ATOM 3005 NH2 ARG H 22 -24.188 2.593 3.447 1.00 40.00 N ATOM 0 H ARG H 22 -19.719 0.328 6.961 1.00 25.80 H new ATOM 0 HA ARG H 22 -20.843 -2.281 7.176 1.00 24.76 H new ATOM 0 HB2 ARG H 22 -20.723 -0.059 5.177 1.00 24.26 H new ATOM 0 HB3 ARG H 22 -21.062 -1.643 4.509 1.00 24.26 H new ATOM 0 HG2 ARG H 22 -22.823 -1.899 6.409 1.00 36.65 H new ATOM 0 HG3 ARG H 22 -22.612 -0.184 6.696 1.00 36.65 H new ATOM 0 HD2 ARG H 22 -23.309 -1.361 3.959 1.00 40.00 H new ATOM 0 HD3 ARG H 22 -24.509 -0.757 5.084 1.00 40.00 H new ATOM 0 HE ARG H 22 -22.403 1.250 4.631 1.00 40.00 H new ATOM 0 HH11 ARG H 22 -24.589 -0.452 2.596 1.00 40.00 H new ATOM 0 HH12 ARG H 22 -25.347 1.001 1.935 1.00 40.00 H new ATOM 0 HH21 ARG H 22 -23.666 3.167 4.109 1.00 40.00 H new ATOM 0 HH22 ARG H 22 -24.828 3.032 2.785 1.00 40.00 H new ATOM 3019 N GLY H 23 -19.644 -3.677 5.236 1.00 24.26 N ATOM 3020 CA GLY H 23 -18.699 -4.614 4.569 1.00 23.26 C ATOM 3021 C GLY H 23 -19.008 -4.670 3.075 1.00 23.26 C ATOM 3022 O GLY H 23 -19.853 -3.951 2.582 1.00 27.92 O ATOM 0 H GLY H 23 -20.628 -3.940 5.179 1.00 24.26 H new ATOM 0 HA2 GLY H 23 -17.672 -4.285 4.727 1.00 23.26 H new ATOM 0 HA3 GLY H 23 -18.786 -5.608 5.007 1.00 23.26 H new ATOM 3026 N PHE H 24 -18.337 -5.520 2.348 1.00 20.38 N ATOM 3027 CA PHE H 24 -18.605 -5.615 0.886 1.00 21.32 C ATOM 3028 C PHE H 24 -18.099 -6.957 0.353 1.00 17.27 C ATOM 3029 O PHE H 24 -17.253 -7.594 0.945 1.00 19.92 O ATOM 3030 CB PHE H 24 -17.892 -4.464 0.161 1.00 23.26 C ATOM 3031 CG PHE H 24 -16.395 -4.582 0.343 1.00 22.28 C ATOM 3032 CD1 PHE H 24 -15.796 -4.319 1.639 1.00 40.00 C ATOM 3033 CD2 PHE H 24 -15.559 -4.969 -0.782 1.00 40.00 C ATOM 3034 CE1 PHE H 24 -14.356 -4.443 1.813 1.00 40.00 C ATOM 3035 CE2 PHE H 24 -14.118 -5.092 -0.607 1.00 40.00 C ATOM 3036 CZ PHE H 24 -13.518 -4.829 0.690 1.00 21.79 C ATOM 0 H PHE H 24 -17.617 -6.151 2.701 1.00 20.38 H new ATOM 0 HA PHE H 24 -19.678 -5.545 0.709 1.00 21.32 H new ATOM 0 HB2 PHE H 24 -18.140 -4.484 -0.900 1.00 23.26 H new ATOM 0 HB3 PHE H 24 -18.239 -3.507 0.552 1.00 23.26 H new ATOM 0 HD1 PHE H 24 -16.418 -4.032 2.474 1.00 40.00 H new ATOM 0 HD2 PHE H 24 -16.006 -5.165 -1.746 1.00 40.00 H new ATOM 0 HE1 PHE H 24 -13.910 -4.248 2.777 1.00 40.00 H new ATOM 0 HE2 PHE H 24 -13.495 -5.379 -1.442 1.00 40.00 H new ATOM 0 HZ PHE H 24 -12.450 -4.920 0.819 1.00 21.79 H new ATOM 3046 N PHE H 25 -18.598 -7.376 -0.770 1.00 14.41 N ATOM 3047 CA PHE H 25 -18.134 -8.664 -1.354 1.00 12.53 C ATOM 3048 C PHE H 25 -17.227 -8.354 -2.541 1.00 10.45 C ATOM 3049 O PHE H 25 -17.606 -7.657 -3.458 1.00 13.27 O ATOM 3050 CB PHE H 25 -19.330 -9.514 -1.816 1.00 15.20 C ATOM 3051 CG PHE H 25 -20.367 -8.646 -2.489 1.00 33.61 C ATOM 3052 CD1 PHE H 25 -20.306 -8.411 -3.924 1.00 40.00 C ATOM 3053 CD2 PHE H 25 -21.425 -8.042 -1.697 1.00 40.00 C ATOM 3054 CE1 PHE H 25 -21.306 -7.571 -4.565 1.00 40.00 C ATOM 3055 CE2 PHE H 25 -22.424 -7.201 -2.338 1.00 40.00 C ATOM 3056 CZ PHE H 25 -22.364 -6.966 -3.772 1.00 40.00 C ATOM 0 H PHE H 25 -19.308 -6.884 -1.312 1.00 14.41 H new ATOM 0 HA PHE H 25 -17.590 -9.232 -0.599 1.00 12.53 H new ATOM 0 HB2 PHE H 25 -18.990 -10.286 -2.506 1.00 15.20 H new ATOM 0 HB3 PHE H 25 -19.773 -10.024 -0.961 1.00 15.20 H new ATOM 0 HD1 PHE H 25 -19.519 -8.860 -4.512 1.00 40.00 H new ATOM 0 HD2 PHE H 25 -21.470 -8.217 -0.632 1.00 40.00 H new ATOM 0 HE1 PHE H 25 -21.263 -7.397 -5.630 1.00 40.00 H new ATOM 0 HE2 PHE H 25 -23.210 -6.751 -1.749 1.00 40.00 H new ATOM 0 HZ PHE H 25 -23.106 -6.342 -4.248 1.00 40.00 H new ATOM 3066 N TYR H 26 -16.023 -8.852 -2.524 1.00 10.78 N ATOM 3067 CA TYR H 26 -15.085 -8.572 -3.645 1.00 10.78 C ATOM 3068 C TYR H 26 -14.802 -9.856 -4.422 1.00 10.12 C ATOM 3069 O TYR H 26 -14.226 -10.791 -3.905 1.00 11.46 O ATOM 3070 CB TYR H 26 -13.776 -8.028 -3.073 1.00 11.46 C ATOM 3071 CG TYR H 26 -12.891 -7.554 -4.197 1.00 14.41 C ATOM 3072 CD1 TYR H 26 -13.078 -6.227 -4.756 1.00 40.00 C ATOM 3073 CD2 TYR H 26 -11.851 -8.425 -4.722 1.00 40.00 C ATOM 3074 CE1 TYR H 26 -12.227 -5.767 -5.842 1.00 40.00 C ATOM 3075 CE2 TYR H 26 -10.997 -7.966 -5.808 1.00 40.00 C ATOM 3076 CZ TYR H 26 -11.187 -6.636 -6.368 1.00 28.47 C ATOM 3077 OH TYR H 26 -10.382 -6.202 -7.399 1.00 39.82 O ATOM 0 H TYR H 26 -15.648 -9.442 -1.781 1.00 10.78 H new ATOM 0 HA TYR H 26 -15.532 -7.840 -4.318 1.00 10.78 H new ATOM 0 HB2 TYR H 26 -13.981 -7.206 -2.387 1.00 11.46 H new ATOM 0 HB3 TYR H 26 -13.268 -8.803 -2.499 1.00 11.46 H new ATOM 0 HD1 TYR H 26 -13.850 -5.581 -4.365 1.00 40.00 H new ATOM 0 HD2 TYR H 26 -11.712 -9.412 -4.306 1.00 40.00 H new ATOM 0 HE1 TYR H 26 -12.368 -4.780 -6.258 1.00 40.00 H new ATOM 0 HE2 TYR H 26 -10.224 -8.611 -6.198 1.00 40.00 H new ATOM 0 HH TYR H 26 -10.036 -6.975 -7.891 1.00 39.82 H new ATOM 3087 N THR H 27 -15.193 -9.903 -5.666 1.00 14.03 N ATOM 3088 CA THR H 27 -14.935 -11.122 -6.481 1.00 16.43 C ATOM 3089 C THR H 27 -14.154 -10.730 -7.752 1.00 25.28 C ATOM 3090 O THR H 27 -14.756 -10.297 -8.713 1.00 35.41 O ATOM 3091 CB THR H 27 -16.262 -11.774 -6.876 1.00 22.76 C ATOM 3092 OG1 THR H 27 -17.208 -10.762 -7.186 1.00 40.00 O ATOM 3093 CG2 THR H 27 -16.782 -12.624 -5.716 1.00 25.28 C ATOM 0 H THR H 27 -15.680 -9.150 -6.152 1.00 14.03 H new ATOM 0 HA THR H 27 -14.350 -11.831 -5.895 1.00 16.43 H new ATOM 0 HB THR H 27 -16.110 -12.411 -7.748 1.00 22.76 H new ATOM 0 HG1 THR H 27 -16.833 -10.159 -7.862 1.00 40.00 H new ATOM 0 HG21 THR H 27 -17.727 -13.087 -5.999 1.00 25.28 H new ATOM 0 HG22 THR H 27 -16.054 -13.400 -5.479 1.00 25.28 H new ATOM 0 HG23 THR H 27 -16.936 -11.991 -4.842 1.00 25.28 H new ATOM 3101 N PRO H 28 -12.831 -10.883 -7.740 1.00 29.57 N ATOM 3102 CA PRO H 28 -12.008 -10.531 -8.907 1.00 40.00 C ATOM 3103 C PRO H 28 -12.072 -11.651 -9.942 1.00 40.00 C ATOM 3104 O PRO H 28 -11.074 -12.250 -10.289 1.00 40.00 O ATOM 3105 CB PRO H 28 -10.593 -10.402 -8.337 1.00 40.00 C ATOM 3106 CG PRO H 28 -10.570 -11.231 -7.031 1.00 40.00 C ATOM 3107 CD PRO H 28 -12.036 -11.413 -6.598 1.00 30.13 C ATOM 0 HA PRO H 28 -12.339 -9.620 -9.407 1.00 40.00 H new ATOM 0 HB2 PRO H 28 -9.853 -10.774 -9.046 1.00 40.00 H new ATOM 0 HB3 PRO H 28 -10.348 -9.359 -8.139 1.00 40.00 H new ATOM 0 HG2 PRO H 28 -10.092 -12.197 -7.194 1.00 40.00 H new ATOM 0 HG3 PRO H 28 -9.998 -10.719 -6.257 1.00 40.00 H new ATOM 0 HD2 PRO H 28 -12.266 -12.461 -6.407 1.00 30.13 H new ATOM 0 HD3 PRO H 28 -12.249 -10.867 -5.679 1.00 30.13 H new ATOM 3115 N LYS H 29 -13.242 -11.945 -10.433 1.00 40.00 N ATOM 3116 CA LYS H 29 -13.372 -13.030 -11.438 1.00 40.00 C ATOM 3117 C LYS H 29 -14.597 -12.768 -12.311 1.00 40.00 C ATOM 3118 O LYS H 29 -15.725 -12.934 -11.884 1.00 40.00 O ATOM 3119 CB LYS H 29 -13.537 -14.372 -10.722 1.00 40.00 C ATOM 3120 CG LYS H 29 -13.550 -15.503 -11.752 1.00 40.00 C ATOM 3121 CD LYS H 29 -14.092 -16.780 -11.103 1.00 40.00 C ATOM 3122 CE LYS H 29 -15.020 -17.497 -12.087 1.00 40.00 C ATOM 3123 NZ LYS H 29 -16.316 -17.805 -11.415 1.00 40.00 N ATOM 0 H LYS H 29 -14.114 -11.479 -10.180 1.00 40.00 H new ATOM 0 HA LYS H 29 -12.478 -13.057 -12.061 1.00 40.00 H new ATOM 0 HB2 LYS H 29 -12.722 -14.521 -10.014 1.00 40.00 H new ATOM 0 HB3 LYS H 29 -14.464 -14.378 -10.148 1.00 40.00 H new ATOM 0 HG2 LYS H 29 -14.169 -15.225 -12.605 1.00 40.00 H new ATOM 0 HG3 LYS H 29 -12.543 -15.675 -12.132 1.00 40.00 H new ATOM 0 HD2 LYS H 29 -13.268 -17.435 -10.820 1.00 40.00 H new ATOM 0 HD3 LYS H 29 -14.633 -16.535 -10.189 1.00 40.00 H new ATOM 0 HE2 LYS H 29 -15.192 -16.871 -12.963 1.00 40.00 H new ATOM 0 HE3 LYS H 29 -14.553 -18.417 -12.439 1.00 40.00 H new ATOM 0 HZ1 LYS H 29 -16.946 -18.292 -12.083 1.00 40.00 H new ATOM 0 HZ2 LYS H 29 -16.144 -18.418 -10.592 1.00 40.00 H new ATOM 0 HZ3 LYS H 29 -16.763 -16.920 -11.100 1.00 40.00 H new ATOM 3137 N THR H 30 -14.385 -12.359 -13.532 1.00 40.00 N ATOM 3138 CA THR H 30 -15.537 -12.087 -14.440 1.00 40.00 C ATOM 3139 C THR H 30 -16.414 -13.340 -14.536 1.00 40.00 C ATOM 3140 O THR H 30 -15.950 -14.324 -15.092 1.00 40.00 O ATOM 3141 CB THR H 30 -15.020 -11.718 -15.839 1.00 40.00 C ATOM 3142 OG1 THR H 30 -13.601 -11.594 -15.813 1.00 40.00 O ATOM 3143 CG2 THR H 30 -15.643 -10.389 -16.276 1.00 40.00 C ATOM 3144 OXT THR H 30 -17.534 -13.293 -14.051 1.00 40.00 O ATOM 0 H THR H 30 -13.464 -12.201 -13.941 1.00 40.00 H new ATOM 0 HA THR H 30 -16.122 -11.258 -14.042 1.00 40.00 H new ATOM 0 HB THR H 30 -15.297 -12.501 -16.544 1.00 40.00 H new ATOM 0 HG1 THR H 30 -13.277 -11.360 -16.708 1.00 40.00 H new ATOM 0 HG21 THR H 30 -15.278 -10.125 -17.268 1.00 40.00 H new ATOM 0 HG22 THR H 30 -16.728 -10.487 -16.303 1.00 40.00 H new ATOM 0 HG23 THR H 30 -15.367 -9.608 -15.568 1.00 40.00 H new TER 3152 THR H 30 ATOM 3153 N GLY I 1 17.317 -6.602 14.382 1.00 40.00 N ATOM 3154 CA GLY I 1 18.074 -6.670 13.097 1.00 40.00 C ATOM 3155 C GLY I 1 17.664 -5.500 12.201 1.00 40.00 C ATOM 3156 O GLY I 1 18.318 -4.476 12.159 1.00 40.00 O ATOM 0 H1 GLY I 1 17.595 -7.397 14.991 1.00 40.00 H new ATOM 0 H2 GLY I 1 17.531 -5.705 14.864 1.00 40.00 H new ATOM 0 H3 GLY I 1 16.297 -6.656 14.187 1.00 40.00 H new ATOM 0 HA2 GLY I 1 19.146 -6.635 13.292 1.00 40.00 H new ATOM 0 HA3 GLY I 1 17.873 -7.616 12.594 1.00 40.00 H new ATOM 3162 N ILE I 2 16.584 -5.641 11.482 1.00 33.61 N ATOM 3163 CA ILE I 2 16.134 -4.537 10.589 1.00 25.80 C ATOM 3164 C ILE I 2 14.660 -4.244 10.859 1.00 21.32 C ATOM 3165 O ILE I 2 14.244 -3.106 10.923 1.00 22.76 O ATOM 3166 CB ILE I 2 16.311 -4.959 9.130 1.00 27.38 C ATOM 3167 CG1 ILE I 2 15.824 -3.837 8.207 1.00 27.38 C ATOM 3168 CG2 ILE I 2 15.494 -6.223 8.865 1.00 32.43 C ATOM 3169 CD1 ILE I 2 16.080 -4.231 6.752 1.00 34.81 C ATOM 0 H ILE I 2 15.994 -6.473 11.475 1.00 33.61 H new ATOM 0 HA ILE I 2 16.727 -3.643 10.782 1.00 25.80 H new ATOM 0 HB ILE I 2 17.365 -5.156 8.936 1.00 27.38 H new ATOM 0 HG12 ILE I 2 14.761 -3.657 8.365 1.00 27.38 H new ATOM 0 HG13 ILE I 2 16.343 -2.907 8.441 1.00 27.38 H new ATOM 0 HG21 ILE I 2 15.619 -6.526 7.825 1.00 32.43 H new ATOM 0 HG22 ILE I 2 15.839 -7.023 9.520 1.00 32.43 H new ATOM 0 HG23 ILE I 2 14.441 -6.023 9.061 1.00 32.43 H new ATOM 0 HD11 ILE I 2 15.734 -3.434 6.093 1.00 34.81 H new ATOM 0 HD12 ILE I 2 17.148 -4.390 6.600 1.00 34.81 H new ATOM 0 HD13 ILE I 2 15.541 -5.150 6.524 1.00 34.81 H new ATOM 3181 N VAL I 3 13.869 -5.266 11.016 1.00 24.76 N ATOM 3182 CA VAL I 3 12.422 -5.052 11.280 1.00 29.57 C ATOM 3183 C VAL I 3 12.247 -4.347 12.621 1.00 33.01 C ATOM 3184 O VAL I 3 11.683 -3.274 12.705 1.00 40.00 O ATOM 3185 CB VAL I 3 11.711 -6.403 11.329 1.00 40.00 C ATOM 3186 CG1 VAL I 3 10.202 -6.179 11.425 1.00 40.00 C ATOM 3187 CG2 VAL I 3 12.030 -7.192 10.059 1.00 40.00 C ATOM 0 H VAL I 3 14.163 -6.242 10.973 1.00 24.76 H new ATOM 0 HA VAL I 3 11.996 -4.439 10.486 1.00 29.57 H new ATOM 0 HB VAL I 3 12.052 -6.963 12.200 1.00 40.00 H new ATOM 0 HG11 VAL I 3 9.693 -7.142 11.460 1.00 40.00 H new ATOM 0 HG12 VAL I 3 9.975 -5.615 12.330 1.00 40.00 H new ATOM 0 HG13 VAL I 3 9.861 -5.620 10.554 1.00 40.00 H new ATOM 0 HG21 VAL I 3 11.523 -8.156 10.093 1.00 40.00 H new ATOM 0 HG22 VAL I 3 11.688 -6.633 9.188 1.00 40.00 H new ATOM 0 HG23 VAL I 3 13.106 -7.350 9.990 1.00 40.00 H new ATOM 3197 N GLU I 4 12.720 -4.950 13.669 1.00 39.17 N ATOM 3198 CA GLU I 4 12.582 -4.334 15.015 1.00 40.00 C ATOM 3199 C GLU I 4 13.333 -2.999 15.071 1.00 39.17 C ATOM 3200 O GLU I 4 13.117 -2.196 15.959 1.00 40.00 O ATOM 3201 CB GLU I 4 13.170 -5.287 16.055 1.00 40.00 C ATOM 3202 CG GLU I 4 12.863 -4.768 17.460 1.00 40.00 C ATOM 3203 CD GLU I 4 13.482 -5.712 18.492 1.00 40.00 C ATOM 3204 OE1 GLU I 4 14.491 -6.326 18.175 1.00 40.00 O ATOM 3205 OE2 GLU I 4 12.936 -5.806 19.582 1.00 40.00 O ATOM 0 H GLU I 4 13.200 -5.850 13.653 1.00 39.17 H new ATOM 0 HA GLU I 4 11.527 -4.152 15.220 1.00 40.00 H new ATOM 0 HB2 GLU I 4 12.751 -6.285 15.926 1.00 40.00 H new ATOM 0 HB3 GLU I 4 14.248 -5.373 15.916 1.00 40.00 H new ATOM 0 HG2 GLU I 4 13.263 -3.762 17.584 1.00 40.00 H new ATOM 0 HG3 GLU I 4 11.785 -4.703 17.609 1.00 40.00 H new ATOM 3212 N GLN I 5 14.223 -2.755 14.151 1.00 29.57 N ATOM 3213 CA GLN I 5 14.988 -1.479 14.184 1.00 26.85 C ATOM 3214 C GLN I 5 14.261 -0.393 13.390 1.00 19.47 C ATOM 3215 O GLN I 5 14.245 0.758 13.776 1.00 24.26 O ATOM 3216 CB GLN I 5 16.368 -1.713 13.570 1.00 34.20 C ATOM 3217 CG GLN I 5 17.191 -0.427 13.652 1.00 26.85 C ATOM 3218 CD GLN I 5 18.464 -0.588 12.820 1.00 26.85 C ATOM 3219 OE1 GLN I 5 18.816 0.359 11.995 1.00 34.81 O flip ATOM 3220 NE2 GLN I 5 19.146 -1.588 12.920 1.00 30.13 N flip ATOM 0 H GLN I 5 14.453 -3.382 13.380 1.00 29.57 H new ATOM 0 HA GLN I 5 15.083 -1.149 15.219 1.00 26.85 H new ATOM 0 HB2 GLN I 5 16.880 -2.518 14.097 1.00 34.20 H new ATOM 0 HB3 GLN I 5 16.266 -2.026 12.531 1.00 34.20 H new ATOM 0 HG2 GLN I 5 16.607 0.416 13.284 1.00 26.85 H new ATOM 0 HG3 GLN I 5 17.446 -0.210 14.689 1.00 26.85 H new ATOM 0 HE21 GLN I 5 18.872 -2.330 13.565 1.00 30.13 H new ATOM 0 HE22 GLN I 5 19.992 -1.686 12.359 1.00 30.13 H new ATOM 3229 N CYS I 6 13.685 -0.734 12.269 1.00 14.80 N ATOM 3230 CA CYS I 6 13.000 0.306 11.450 1.00 12.90 C ATOM 3231 C CYS I 6 11.494 0.303 11.695 1.00 14.03 C ATOM 3232 O CYS I 6 10.820 1.265 11.378 1.00 17.70 O ATOM 3233 CB CYS I 6 13.282 0.052 9.969 1.00 12.90 C ATOM 3234 SG CYS I 6 15.073 -0.022 9.695 1.00 15.60 S ATOM 0 H CYS I 6 13.659 -1.680 11.887 1.00 14.80 H new ATOM 0 HA CYS I 6 13.387 1.282 11.742 1.00 12.90 H new ATOM 0 HB2 CYS I 6 12.817 -0.882 9.655 1.00 12.90 H new ATOM 0 HB3 CYS I 6 12.844 0.845 9.364 1.00 12.90 H new ATOM 3239 N CYS I 7 10.952 -0.744 12.259 1.00 16.43 N ATOM 3240 CA CYS I 7 9.483 -0.754 12.516 1.00 20.85 C ATOM 3241 C CYS I 7 9.210 -0.312 13.958 1.00 22.28 C ATOM 3242 O CYS I 7 8.182 -0.608 14.531 1.00 37.90 O ATOM 3243 CB CYS I 7 8.904 -2.142 12.278 1.00 24.76 C ATOM 3244 SG CYS I 7 7.099 -2.019 12.301 1.00 33.61 S ATOM 0 H CYS I 7 11.455 -1.582 12.549 1.00 16.43 H new ATOM 0 HA CYS I 7 9.003 -0.060 11.827 1.00 20.85 H new ATOM 0 HB2 CYS I 7 9.245 -2.536 11.321 1.00 24.76 H new ATOM 0 HB3 CYS I 7 9.247 -2.833 13.048 1.00 24.76 H new ATOM 3249 N THR I 8 10.110 0.423 14.539 1.00 21.32 N ATOM 3250 CA THR I 8 9.887 0.913 15.924 1.00 24.26 C ATOM 3251 C THR I 8 9.759 2.432 15.871 1.00 28.47 C ATOM 3252 O THR I 8 8.888 3.021 16.479 1.00 40.00 O ATOM 3253 CB THR I 8 11.074 0.526 16.807 1.00 28.47 C ATOM 3254 OG1 THR I 8 12.280 0.717 16.081 1.00 40.00 O ATOM 3255 CG2 THR I 8 10.947 -0.942 17.215 1.00 40.00 C ATOM 0 H THR I 8 10.993 0.707 14.114 1.00 21.32 H new ATOM 0 HA THR I 8 8.983 0.470 16.342 1.00 24.26 H new ATOM 0 HB THR I 8 11.085 1.149 17.701 1.00 28.47 H new ATOM 0 HG1 THR I 8 12.724 -0.147 15.951 1.00 40.00 H new ATOM 0 HG21 THR I 8 11.793 -1.219 17.844 1.00 40.00 H new ATOM 0 HG22 THR I 8 10.019 -1.087 17.769 1.00 40.00 H new ATOM 0 HG23 THR I 8 10.938 -1.568 16.323 1.00 40.00 H new ATOM 3263 N SER I 9 10.621 3.065 15.126 1.00 24.26 N ATOM 3264 CA SER I 9 10.565 4.546 15.002 1.00 34.20 C ATOM 3265 C SER I 9 11.130 4.950 13.640 1.00 27.92 C ATOM 3266 O SER I 9 11.655 6.032 13.473 1.00 40.00 O ATOM 3267 CB SER I 9 11.399 5.182 16.113 1.00 40.00 C ATOM 3268 OG SER I 9 11.264 4.411 17.300 1.00 40.00 O ATOM 0 H SER I 9 11.367 2.616 14.594 1.00 24.26 H new ATOM 0 HA SER I 9 9.533 4.887 15.089 1.00 34.20 H new ATOM 0 HB2 SER I 9 12.446 5.232 15.815 1.00 40.00 H new ATOM 0 HB3 SER I 9 11.069 6.206 16.291 1.00 40.00 H new ATOM 0 HG SER I 9 11.799 4.815 18.015 1.00 40.00 H new ATOM 3274 N ILE I 10 11.023 4.080 12.669 1.00 20.85 N ATOM 3275 CA ILE I 10 11.543 4.388 11.305 1.00 16.84 C ATOM 3276 C ILE I 10 13.058 4.594 11.349 1.00 15.20 C ATOM 3277 O ILE I 10 13.581 5.308 12.179 1.00 19.92 O ATOM 3278 CB ILE I 10 10.856 5.647 10.762 1.00 20.85 C ATOM 3279 CG1 ILE I 10 9.353 5.387 10.657 1.00 26.32 C ATOM 3280 CG2 ILE I 10 11.407 5.982 9.374 1.00 19.02 C ATOM 3281 CD1 ILE I 10 8.651 5.947 11.896 1.00 37.27 C ATOM 0 H ILE I 10 10.593 3.160 12.765 1.00 20.85 H new ATOM 0 HA ILE I 10 11.326 3.548 10.645 1.00 16.84 H new ATOM 0 HB ILE I 10 11.046 6.483 11.435 1.00 20.85 H new ATOM 0 HG12 ILE I 10 8.954 5.855 9.757 1.00 26.32 H new ATOM 0 HG13 ILE I 10 9.163 4.317 10.571 1.00 26.32 H new ATOM 0 HG21 ILE I 10 10.915 6.877 8.994 1.00 19.02 H new ATOM 0 HG22 ILE I 10 12.480 6.159 9.442 1.00 19.02 H new ATOM 0 HG23 ILE I 10 11.218 5.149 8.697 1.00 19.02 H new ATOM 0 HD11 ILE I 10 7.579 5.762 11.822 1.00 37.27 H new ATOM 0 HD12 ILE I 10 9.043 5.458 12.788 1.00 37.27 H new ATOM 0 HD13 ILE I 10 8.830 7.020 11.962 1.00 37.27 H new ATOM 3293 N CYS I 11 13.762 3.972 10.442 1.00 12.17 N ATOM 3294 CA CYS I 11 15.239 4.120 10.397 1.00 13.64 C ATOM 3295 C CYS I 11 15.586 5.374 9.596 1.00 14.80 C ATOM 3296 O CYS I 11 14.731 5.993 8.998 1.00 16.01 O ATOM 3297 CB CYS I 11 15.853 2.903 9.703 1.00 14.41 C ATOM 3298 SG CYS I 11 15.830 1.480 10.818 1.00 15.60 S ATOM 0 H CYS I 11 13.370 3.362 9.725 1.00 12.17 H new ATOM 0 HA CYS I 11 15.631 4.200 11.411 1.00 13.64 H new ATOM 0 HB2 CYS I 11 15.297 2.673 8.794 1.00 14.41 H new ATOM 0 HB3 CYS I 11 16.877 3.124 9.402 1.00 14.41 H new ATOM 3303 N SER I 12 16.835 5.748 9.570 1.00 16.84 N ATOM 3304 CA SER I 12 17.232 6.956 8.796 1.00 19.47 C ATOM 3305 C SER I 12 17.594 6.542 7.372 1.00 19.92 C ATOM 3306 O SER I 12 17.870 5.391 7.101 1.00 18.57 O ATOM 3307 CB SER I 12 18.444 7.614 9.452 1.00 23.26 C ATOM 3308 OG SER I 12 18.046 8.210 10.679 1.00 40.00 O ATOM 0 H SER I 12 17.597 5.270 10.051 1.00 16.84 H new ATOM 0 HA SER I 12 16.403 7.663 8.778 1.00 19.47 H new ATOM 0 HB2 SER I 12 19.223 6.873 9.630 1.00 23.26 H new ATOM 0 HB3 SER I 12 18.867 8.368 8.788 1.00 23.26 H new ATOM 0 HG SER I 12 18.821 8.632 11.104 1.00 40.00 H new ATOM 3314 N LEU I 13 17.595 7.471 6.461 1.00 22.76 N ATOM 3315 CA LEU I 13 17.937 7.136 5.052 1.00 25.28 C ATOM 3316 C LEU I 13 19.303 6.445 5.001 1.00 25.28 C ATOM 3317 O LEU I 13 19.492 5.482 4.285 1.00 25.28 O ATOM 3318 CB LEU I 13 17.984 8.422 4.227 1.00 31.85 C ATOM 3319 CG LEU I 13 18.192 8.078 2.753 1.00 35.41 C ATOM 3320 CD1 LEU I 13 17.379 9.041 1.887 1.00 40.00 C ATOM 3321 CD2 LEU I 13 19.677 8.213 2.406 1.00 40.00 C ATOM 0 H LEU I 13 17.373 8.452 6.631 1.00 22.76 H new ATOM 0 HA LEU I 13 17.181 6.465 4.644 1.00 25.28 H new ATOM 0 HB2 LEU I 13 17.057 8.981 4.353 1.00 31.85 H new ATOM 0 HB3 LEU I 13 18.793 9.062 4.579 1.00 31.85 H new ATOM 0 HG LEU I 13 17.864 7.055 2.567 1.00 35.41 H new ATOM 0 HD11 LEU I 13 17.526 8.797 0.835 1.00 40.00 H new ATOM 0 HD12 LEU I 13 16.322 8.950 2.136 1.00 40.00 H new ATOM 0 HD13 LEU I 13 17.709 10.063 2.072 1.00 40.00 H new ATOM 0 HD21 LEU I 13 19.829 7.968 1.355 1.00 40.00 H new ATOM 0 HD22 LEU I 13 20.002 9.237 2.591 1.00 40.00 H new ATOM 0 HD23 LEU I 13 20.259 7.530 3.025 1.00 40.00 H new ATOM 3333 N TYR I 14 20.257 6.927 5.749 1.00 28.47 N ATOM 3334 CA TYR I 14 21.609 6.295 5.732 1.00 32.43 C ATOM 3335 C TYR I 14 21.548 4.917 6.385 1.00 28.47 C ATOM 3336 O TYR I 14 22.240 4.003 5.989 1.00 31.27 O ATOM 3337 CB TYR I 14 22.594 7.169 6.508 1.00 40.00 C ATOM 3338 CG TYR I 14 22.680 8.522 5.851 1.00 40.00 C ATOM 3339 CD1 TYR I 14 21.717 9.555 6.192 1.00 40.00 C ATOM 3340 CD2 TYR I 14 23.721 8.790 4.871 1.00 40.00 C ATOM 3341 CE1 TYR I 14 21.793 10.859 5.554 1.00 40.00 C ATOM 3342 CE2 TYR I 14 23.796 10.094 4.230 1.00 40.00 C ATOM 3343 CZ TYR I 14 22.832 11.130 4.572 1.00 40.00 C ATOM 3344 OH TYR I 14 22.901 12.367 3.964 1.00 40.00 O ATOM 0 H TYR I 14 20.160 7.730 6.371 1.00 28.47 H new ATOM 0 HA TYR I 14 21.938 6.194 4.698 1.00 32.43 H new ATOM 0 HB2 TYR I 14 22.268 7.274 7.543 1.00 40.00 H new ATOM 0 HB3 TYR I 14 23.577 6.699 6.529 1.00 40.00 H new ATOM 0 HD1 TYR I 14 20.945 9.354 6.920 1.00 40.00 H new ATOM 0 HD2 TYR I 14 24.437 8.022 4.619 1.00 40.00 H new ATOM 0 HE1 TYR I 14 21.078 11.627 5.809 1.00 40.00 H new ATOM 0 HE2 TYR I 14 24.567 10.293 3.500 1.00 40.00 H new ATOM 0 HH TYR I 14 23.653 12.381 3.336 1.00 40.00 H new ATOM 3354 N GLN I 15 20.735 4.762 7.390 1.00 24.76 N ATOM 3355 CA GLN I 15 20.648 3.441 8.070 1.00 23.75 C ATOM 3356 C GLN I 15 20.105 2.394 7.098 1.00 19.92 C ATOM 3357 O GLN I 15 20.478 1.239 7.144 1.00 21.79 O ATOM 3358 CB GLN I 15 19.712 3.555 9.272 1.00 23.26 C ATOM 3359 CG GLN I 15 20.530 3.861 10.524 1.00 29.02 C ATOM 3360 CD GLN I 15 19.583 4.098 11.699 1.00 26.85 C ATOM 3361 OE1 GLN I 15 18.962 5.139 11.792 1.00 40.00 O ATOM 3362 NE2 GLN I 15 19.444 3.169 12.605 1.00 40.00 N ATOM 0 H GLN I 15 20.129 5.489 7.769 1.00 24.76 H new ATOM 0 HA GLN I 15 21.641 3.139 8.404 1.00 23.75 H new ATOM 0 HB2 GLN I 15 18.978 4.343 9.102 1.00 23.26 H new ATOM 0 HB3 GLN I 15 19.157 2.626 9.405 1.00 23.26 H new ATOM 0 HG2 GLN I 15 21.202 3.032 10.745 1.00 29.02 H new ATOM 0 HG3 GLN I 15 21.152 4.741 10.360 1.00 29.02 H new ATOM 0 HE21 GLN I 15 19.966 2.296 12.525 1.00 40.00 H new ATOM 0 HE22 GLN I 15 18.813 3.316 13.393 1.00 40.00 H new ATOM 3371 N LEU I 16 19.221 2.786 6.222 1.00 17.27 N ATOM 3372 CA LEU I 16 18.650 1.808 5.256 1.00 15.20 C ATOM 3373 C LEU I 16 19.727 1.373 4.261 1.00 18.57 C ATOM 3374 O LEU I 16 19.757 0.241 3.821 1.00 19.92 O ATOM 3375 CB LEU I 16 17.488 2.458 4.506 1.00 13.64 C ATOM 3376 CG LEU I 16 16.394 2.844 5.502 1.00 12.90 C ATOM 3377 CD1 LEU I 16 15.295 3.626 4.782 1.00 14.80 C ATOM 3378 CD2 LEU I 16 15.793 1.578 6.114 1.00 12.53 C ATOM 0 H LEU I 16 18.870 3.740 6.134 1.00 17.27 H new ATOM 0 HA LEU I 16 18.291 0.932 5.796 1.00 15.20 H new ATOM 0 HB2 LEU I 16 17.835 3.341 3.970 1.00 13.64 H new ATOM 0 HB3 LEU I 16 17.090 1.769 3.761 1.00 13.64 H new ATOM 0 HG LEU I 16 16.826 3.463 6.288 1.00 12.90 H new ATOM 0 HD11 LEU I 16 14.517 3.900 5.494 1.00 14.80 H new ATOM 0 HD12 LEU I 16 15.719 4.529 4.343 1.00 14.80 H new ATOM 0 HD13 LEU I 16 14.865 3.007 3.994 1.00 14.80 H new ATOM 0 HD21 LEU I 16 15.013 1.852 6.824 1.00 12.53 H new ATOM 0 HD22 LEU I 16 15.364 0.960 5.325 1.00 12.53 H new ATOM 0 HD23 LEU I 16 16.573 1.018 6.630 1.00 12.53 H new ATOM 3390 N GLU I 17 20.611 2.262 3.901 1.00 20.85 N ATOM 3391 CA GLU I 17 21.685 1.898 2.930 1.00 26.32 C ATOM 3392 C GLU I 17 22.494 0.711 3.461 1.00 29.57 C ATOM 3393 O GLU I 17 22.946 -0.128 2.709 1.00 34.81 O ATOM 3394 CB GLU I 17 22.612 3.093 2.730 1.00 31.27 C ATOM 3395 CG GLU I 17 22.093 3.951 1.575 1.00 40.00 C ATOM 3396 CD GLU I 17 23.231 4.814 1.029 1.00 40.00 C ATOM 3397 OE1 GLU I 17 24.168 4.248 0.483 1.00 40.00 O ATOM 3398 OE2 GLU I 17 23.148 6.025 1.163 1.00 40.00 O ATOM 0 H GLU I 17 20.637 3.225 4.236 1.00 20.85 H new ATOM 0 HA GLU I 17 21.228 1.621 1.980 1.00 26.32 H new ATOM 0 HB2 GLU I 17 22.662 3.685 3.644 1.00 31.27 H new ATOM 0 HB3 GLU I 17 23.624 2.750 2.517 1.00 31.27 H new ATOM 0 HG2 GLU I 17 21.694 3.314 0.785 1.00 40.00 H new ATOM 0 HG3 GLU I 17 21.274 4.584 1.918 1.00 40.00 H new ATOM 3405 N ASN I 18 22.688 0.638 4.748 1.00 30.13 N ATOM 3406 CA ASN I 18 23.478 -0.492 5.322 1.00 36.65 C ATOM 3407 C ASN I 18 22.883 -1.825 4.862 1.00 33.01 C ATOM 3408 O ASN I 18 23.584 -2.801 4.685 1.00 37.27 O ATOM 3409 CB ASN I 18 23.434 -0.418 6.849 1.00 40.00 C ATOM 3410 CG ASN I 18 24.055 0.899 7.312 1.00 38.53 C ATOM 3411 OD1 ASN I 18 23.736 1.952 6.795 1.00 40.00 O ATOM 3412 ND2 ASN I 18 24.936 0.888 8.274 1.00 40.00 N ATOM 0 H ASN I 18 22.335 1.310 5.429 1.00 30.13 H new ATOM 0 HA ASN I 18 24.510 -0.420 4.980 1.00 36.65 H new ATOM 0 HB2 ASN I 18 22.404 -0.489 7.198 1.00 40.00 H new ATOM 0 HB3 ASN I 18 23.976 -1.260 7.281 1.00 40.00 H new ATOM 0 HD21 ASN I 18 25.356 1.762 8.591 1.00 40.00 H new ATOM 0 HD22 ASN I 18 25.205 0.006 8.709 1.00 40.00 H new ATOM 3419 N TYR I 19 21.598 -1.874 4.666 1.00 28.47 N ATOM 3420 CA TYR I 19 20.963 -3.144 4.217 1.00 27.38 C ATOM 3421 C TYR I 19 20.939 -3.216 2.683 1.00 26.85 C ATOM 3422 O TYR I 19 20.679 -4.258 2.113 1.00 40.00 O ATOM 3423 CB TYR I 19 19.535 -3.207 4.753 1.00 27.38 C ATOM 3424 CG TYR I 19 19.559 -2.982 6.245 1.00 26.85 C ATOM 3425 CD1 TYR I 19 19.735 -4.109 7.147 1.00 40.00 C ATOM 3426 CD2 TYR I 19 19.414 -1.638 6.782 1.00 40.00 C ATOM 3427 CE1 TYR I 19 19.764 -3.893 8.584 1.00 40.00 C ATOM 3428 CE2 TYR I 19 19.442 -1.421 8.220 1.00 40.00 C ATOM 3429 CZ TYR I 19 19.617 -2.549 9.121 1.00 30.70 C ATOM 3430 OH TYR I 19 19.646 -2.343 10.487 1.00 34.81 O ATOM 0 H TYR I 19 20.958 -1.090 4.797 1.00 28.47 H new ATOM 0 HA TYR I 19 21.541 -3.986 4.598 1.00 27.38 H new ATOM 0 HB2 TYR I 19 18.917 -2.451 4.268 1.00 27.38 H new ATOM 0 HB3 TYR I 19 19.090 -4.176 4.526 1.00 27.38 H new ATOM 0 HD1 TYR I 19 19.844 -5.107 6.749 1.00 40.00 H new ATOM 0 HD2 TYR I 19 19.285 -0.800 6.112 1.00 40.00 H new ATOM 0 HE1 TYR I 19 19.895 -4.730 9.253 1.00 40.00 H new ATOM 0 HE2 TYR I 19 19.333 -0.423 8.618 1.00 40.00 H new ATOM 0 HH TYR I 19 19.249 -3.115 10.943 1.00 34.81 H new ATOM 3440 N CYS I 20 21.204 -2.129 2.004 1.00 22.28 N ATOM 3441 CA CYS I 20 21.187 -2.163 0.517 1.00 24.26 C ATOM 3442 C CYS I 20 22.144 -3.245 0.016 1.00 32.43 C ATOM 3443 O CYS I 20 23.077 -3.628 0.693 1.00 40.00 O ATOM 3444 CB CYS I 20 21.630 -0.804 -0.023 1.00 23.26 C ATOM 3445 SG CYS I 20 20.996 -0.594 -1.700 1.00 29.57 S ATOM 0 H CYS I 20 21.430 -1.224 2.416 1.00 22.28 H new ATOM 0 HA CYS I 20 20.178 -2.386 0.170 1.00 24.26 H new ATOM 0 HB2 CYS I 20 21.260 -0.006 0.621 1.00 23.26 H new ATOM 0 HB3 CYS I 20 22.718 -0.736 -0.022 1.00 23.26 H new ATOM 3450 N ASN I 21 21.916 -3.741 -1.166 1.00 25.28 N ATOM 3451 CA ASN I 21 22.803 -4.800 -1.717 1.00 34.81 C ATOM 3452 C ASN I 21 23.980 -4.151 -2.446 1.00 40.00 C ATOM 3453 O ASN I 21 24.968 -3.861 -1.794 1.00 40.00 O ATOM 3454 CB ASN I 21 22.008 -5.663 -2.696 1.00 40.00 C ATOM 3455 CG ASN I 21 22.919 -6.752 -3.265 1.00 40.00 C ATOM 3456 OD1 ASN I 21 23.871 -6.459 -3.959 1.00 40.00 O ATOM 3457 ND2 ASN I 21 22.667 -8.003 -2.991 1.00 40.00 N ATOM 3458 OXT ASN I 21 23.871 -3.960 -3.647 1.00 40.00 O ATOM 0 H ASN I 21 21.150 -3.457 -1.777 1.00 25.28 H new ATOM 0 HA ASN I 21 23.180 -5.422 -0.905 1.00 34.81 H new ATOM 0 HB2 ASN I 21 21.154 -6.114 -2.190 1.00 40.00 H new ATOM 0 HB3 ASN I 21 21.611 -5.047 -3.503 1.00 40.00 H new ATOM 0 HD21 ASN I 21 23.271 -8.738 -3.360 1.00 40.00 H new ATOM 0 HD22 ASN I 21 21.866 -8.246 -2.408 1.00 40.00 H new TER 3465 ASN I 21 ATOM 3466 N PHE J 1 -2.637 -4.546 16.199 1.00 40.00 N ATOM 3467 CA PHE J 1 -1.297 -3.920 16.023 1.00 40.00 C ATOM 3468 C PHE J 1 -0.378 -4.881 15.247 1.00 40.00 C ATOM 3469 O PHE J 1 0.833 -4.830 15.365 1.00 40.00 O ATOM 3470 CB PHE J 1 -0.692 -3.607 17.407 1.00 40.00 C ATOM 3471 CG PHE J 1 -0.411 -4.892 18.167 1.00 40.00 C ATOM 3472 CD1 PHE J 1 -1.510 -5.704 18.663 1.00 40.00 C ATOM 3473 CD2 PHE J 1 0.963 -5.320 18.382 1.00 40.00 C ATOM 3474 CE1 PHE J 1 -1.236 -6.942 19.377 1.00 40.00 C ATOM 3475 CE2 PHE J 1 1.238 -6.555 19.096 1.00 40.00 C ATOM 3476 CZ PHE J 1 0.139 -7.367 19.593 1.00 40.00 C ATOM 0 H1 PHE J 1 -3.268 -3.883 16.693 1.00 40.00 H new ATOM 0 H2 PHE J 1 -3.038 -4.776 15.267 1.00 40.00 H new ATOM 0 H3 PHE J 1 -2.542 -5.417 16.759 1.00 40.00 H new ATOM 0 HA PHE J 1 -1.396 -2.992 15.459 1.00 40.00 H new ATOM 0 HB2 PHE J 1 0.231 -3.039 17.287 1.00 40.00 H new ATOM 0 HB3 PHE J 1 -1.379 -2.982 17.978 1.00 40.00 H new ATOM 0 HD1 PHE J 1 -2.530 -5.388 18.502 1.00 40.00 H new ATOM 0 HD2 PHE J 1 1.780 -4.719 18.010 1.00 40.00 H new ATOM 0 HE1 PHE J 1 -2.052 -7.545 19.746 1.00 40.00 H new ATOM 0 HE2 PHE J 1 2.258 -6.870 19.258 1.00 40.00 H new ATOM 0 HZ PHE J 1 0.343 -8.286 20.123 1.00 40.00 H new ATOM 3488 N VAL J 2 -0.944 -5.770 14.465 1.00 40.00 N ATOM 3489 CA VAL J 2 -0.110 -6.752 13.692 1.00 40.00 C ATOM 3490 C VAL J 2 1.030 -6.037 12.963 1.00 31.27 C ATOM 3491 O VAL J 2 0.832 -5.417 11.935 1.00 40.00 O ATOM 3492 CB VAL J 2 -0.992 -7.454 12.667 1.00 40.00 C ATOM 3493 CG1 VAL J 2 -2.019 -8.321 13.396 1.00 40.00 C ATOM 3494 CG2 VAL J 2 -1.715 -6.402 11.817 1.00 40.00 C ATOM 0 H VAL J 2 -1.951 -5.860 14.327 1.00 40.00 H new ATOM 0 HA VAL J 2 0.316 -7.475 14.387 1.00 40.00 H new ATOM 0 HB VAL J 2 -0.380 -8.083 12.021 1.00 40.00 H new ATOM 0 HG11 VAL J 2 -2.653 -8.825 12.667 1.00 40.00 H new ATOM 0 HG12 VAL J 2 -1.502 -9.064 14.003 1.00 40.00 H new ATOM 0 HG13 VAL J 2 -2.635 -7.692 14.039 1.00 40.00 H new ATOM 0 HG21 VAL J 2 -2.347 -6.900 11.082 1.00 40.00 H new ATOM 0 HG22 VAL J 2 -2.332 -5.775 12.461 1.00 40.00 H new ATOM 0 HG23 VAL J 2 -0.980 -5.782 11.303 1.00 40.00 H new ATOM 3504 N ASN J 3 2.214 -6.109 13.497 1.00 31.85 N ATOM 3505 CA ASN J 3 3.362 -5.425 12.848 1.00 40.00 C ATOM 3506 C ASN J 3 4.292 -6.472 12.225 1.00 40.00 C ATOM 3507 O ASN J 3 3.954 -7.637 12.129 1.00 40.00 O ATOM 3508 CB ASN J 3 4.111 -4.599 13.904 1.00 40.00 C ATOM 3509 CG ASN J 3 3.566 -3.163 13.914 1.00 40.00 C ATOM 3510 OD1 ASN J 3 4.324 -2.210 13.897 1.00 40.00 O ATOM 3511 ND2 ASN J 3 2.274 -2.967 13.947 1.00 40.00 N ATOM 0 H ASN J 3 2.437 -6.612 14.356 1.00 31.85 H new ATOM 0 HA ASN J 3 3.009 -4.760 12.060 1.00 40.00 H new ATOM 0 HB2 ASN J 3 3.990 -5.052 14.888 1.00 40.00 H new ATOM 0 HB3 ASN J 3 5.179 -4.592 13.685 1.00 40.00 H new ATOM 0 HD21 ASN J 3 1.902 -2.017 13.958 1.00 40.00 H new ATOM 0 HD22 ASN J 3 1.637 -3.764 13.961 1.00 40.00 H new ATOM 3518 N GLN J 4 5.456 -6.066 11.800 1.00 30.13 N ATOM 3519 CA GLN J 4 6.410 -7.022 11.177 1.00 22.76 C ATOM 3520 C GLN J 4 5.773 -7.654 9.929 1.00 20.85 C ATOM 3521 O GLN J 4 5.987 -7.197 8.824 1.00 21.32 O ATOM 3522 CB GLN J 4 6.796 -8.104 12.195 1.00 24.26 C ATOM 3523 CG GLN J 4 7.724 -9.132 11.526 1.00 36.65 C ATOM 3524 CD GLN J 4 9.003 -9.321 12.350 1.00 40.00 C ATOM 3525 OE1 GLN J 4 9.227 -8.635 13.329 1.00 40.00 O ATOM 3526 NE2 GLN J 4 9.862 -10.238 11.989 1.00 40.00 N ATOM 0 H GLN J 4 5.789 -5.104 11.859 1.00 30.13 H new ATOM 0 HA GLN J 4 7.312 -6.491 10.874 1.00 22.76 H new ATOM 0 HB2 GLN J 4 7.296 -7.651 13.051 1.00 24.26 H new ATOM 0 HB3 GLN J 4 5.901 -8.598 12.573 1.00 24.26 H new ATOM 0 HG2 GLN J 4 7.206 -10.086 11.425 1.00 36.65 H new ATOM 0 HG3 GLN J 4 7.979 -8.799 10.520 1.00 36.65 H new ATOM 0 HE21 GLN J 4 9.677 -10.815 11.168 1.00 40.00 H new ATOM 0 HE22 GLN J 4 10.717 -10.376 12.528 1.00 40.00 H new ATOM 3535 N HIS J 5 5.006 -8.701 10.089 1.00 24.76 N ATOM 3536 CA HIS J 5 4.380 -9.352 8.900 1.00 26.85 C ATOM 3537 C HIS J 5 3.579 -8.327 8.094 1.00 29.57 C ATOM 3538 O HIS J 5 3.311 -8.519 6.928 1.00 40.00 O ATOM 3539 CB HIS J 5 3.449 -10.471 9.356 1.00 26.32 C ATOM 3540 CG HIS J 5 3.218 -11.412 8.210 1.00 31.27 C ATOM 3541 ND1 HIS J 5 4.175 -12.325 7.799 1.00 31.85 N ATOM 3542 CD2 HIS J 5 2.145 -11.591 7.375 1.00 40.00 C ATOM 3543 CE1 HIS J 5 3.664 -13.008 6.759 1.00 39.17 C ATOM 3544 NE2 HIS J 5 2.428 -12.600 6.459 1.00 40.00 N ATOM 0 H HIS J 5 4.787 -9.132 10.987 1.00 24.76 H new ATOM 0 HA HIS J 5 5.170 -9.763 8.272 1.00 26.85 H new ATOM 0 HB2 HIS J 5 3.887 -11.005 10.199 1.00 26.32 H new ATOM 0 HB3 HIS J 5 2.501 -10.056 9.699 1.00 26.32 H new ATOM 0 HD1 HIS J 5 5.099 -12.456 8.210 1.00 31.85 H new ATOM 0 HD2 HIS J 5 1.221 -11.034 7.421 1.00 40.00 H new ATOM 0 HE1 HIS J 5 4.189 -13.791 6.231 1.00 39.17 H new ATOM 3552 N LEU J 6 3.195 -7.246 8.705 1.00 25.80 N ATOM 3553 CA LEU J 6 2.415 -6.204 7.975 1.00 30.13 C ATOM 3554 C LEU J 6 3.257 -4.923 7.858 1.00 25.80 C ATOM 3555 O LEU J 6 3.062 -4.115 6.974 1.00 27.92 O ATOM 3556 CB LEU J 6 1.137 -5.900 8.759 1.00 40.00 C ATOM 3557 CG LEU J 6 -0.084 -6.193 7.889 1.00 40.00 C ATOM 3558 CD1 LEU J 6 -0.166 -7.696 7.609 1.00 40.00 C ATOM 3559 CD2 LEU J 6 -1.348 -5.740 8.627 1.00 40.00 C ATOM 0 H LEU J 6 3.387 -7.034 9.684 1.00 25.80 H new ATOM 0 HA LEU J 6 2.162 -6.564 6.978 1.00 30.13 H new ATOM 0 HB2 LEU J 6 1.103 -6.504 9.666 1.00 40.00 H new ATOM 0 HB3 LEU J 6 1.131 -4.856 9.072 1.00 40.00 H new ATOM 0 HG LEU J 6 0.002 -5.656 6.945 1.00 40.00 H new ATOM 0 HD11 LEU J 6 -1.038 -7.903 6.988 1.00 40.00 H new ATOM 0 HD12 LEU J 6 0.736 -8.019 7.088 1.00 40.00 H new ATOM 0 HD13 LEU J 6 -0.254 -8.237 8.551 1.00 40.00 H new ATOM 0 HD21 LEU J 6 -2.223 -5.947 8.011 1.00 40.00 H new ATOM 0 HD22 LEU J 6 -1.432 -6.281 9.570 1.00 40.00 H new ATOM 0 HD23 LEU J 6 -1.289 -4.670 8.826 1.00 40.00 H new ATOM 3571 N CYS J 7 4.179 -4.736 8.760 1.00 26.32 N ATOM 3572 CA CYS J 7 5.042 -3.524 8.752 1.00 24.76 C ATOM 3573 C CYS J 7 6.160 -3.674 7.718 1.00 17.70 C ATOM 3574 O CYS J 7 6.425 -2.785 6.937 1.00 15.20 O ATOM 3575 CB CYS J 7 5.661 -3.431 10.138 1.00 33.61 C ATOM 3576 SG CYS J 7 6.554 -1.883 10.362 1.00 23.75 S ATOM 0 H CYS J 7 4.374 -5.388 9.520 1.00 26.32 H new ATOM 0 HA CYS J 7 4.461 -2.637 8.501 1.00 24.76 H new ATOM 0 HB2 CYS J 7 4.879 -3.513 10.893 1.00 33.61 H new ATOM 0 HB3 CYS J 7 6.341 -4.269 10.291 1.00 33.61 H new ATOM 3581 N GLY J 8 6.830 -4.793 7.731 1.00 18.57 N ATOM 3582 CA GLY J 8 7.952 -5.022 6.779 1.00 15.60 C ATOM 3583 C GLY J 8 7.511 -4.757 5.341 1.00 14.80 C ATOM 3584 O GLY J 8 8.262 -4.229 4.548 1.00 13.27 O ATOM 0 H GLY J 8 6.645 -5.567 8.369 1.00 18.57 H new ATOM 0 HA2 GLY J 8 8.788 -4.370 7.033 1.00 15.60 H new ATOM 0 HA3 GLY J 8 8.308 -6.048 6.871 1.00 15.60 H new ATOM 3588 N SER J 9 6.313 -5.134 4.986 1.00 19.47 N ATOM 3589 CA SER J 9 5.842 -4.918 3.581 1.00 23.75 C ATOM 3590 C SER J 9 6.059 -3.470 3.153 1.00 21.79 C ATOM 3591 O SER J 9 6.204 -3.182 1.981 1.00 32.43 O ATOM 3592 CB SER J 9 4.349 -5.229 3.482 1.00 30.70 C ATOM 3593 OG SER J 9 3.725 -4.930 4.726 1.00 40.00 O ATOM 0 H SER J 9 5.638 -5.582 5.605 1.00 19.47 H new ATOM 0 HA SER J 9 6.414 -5.579 2.929 1.00 23.75 H new ATOM 0 HB2 SER J 9 3.895 -4.642 2.684 1.00 30.70 H new ATOM 0 HB3 SER J 9 4.200 -6.279 3.230 1.00 30.70 H new ATOM 0 HG SER J 9 3.705 -5.735 5.284 1.00 40.00 H new ATOM 3599 N HIS J 10 6.058 -2.553 4.079 1.00 15.20 N ATOM 3600 CA HIS J 10 6.236 -1.128 3.696 1.00 15.60 C ATOM 3601 C HIS J 10 7.663 -0.667 3.982 1.00 10.78 C ATOM 3602 O HIS J 10 8.121 0.308 3.421 1.00 10.45 O ATOM 3603 CB HIS J 10 5.222 -0.285 4.455 1.00 20.85 C ATOM 3604 CG HIS J 10 3.853 -0.788 4.095 1.00 31.85 C ATOM 3605 ND1 HIS J 10 3.517 -1.131 2.793 1.00 40.00 N ATOM 3606 CD2 HIS J 10 2.737 -1.045 4.849 1.00 37.90 C ATOM 3607 CE1 HIS J 10 2.248 -1.575 2.804 1.00 40.00 C ATOM 3608 NE2 HIS J 10 1.724 -1.544 4.031 1.00 40.00 N ATOM 0 H HIS J 10 5.942 -2.728 5.077 1.00 15.20 H new ATOM 0 HA HIS J 10 6.068 -1.011 2.625 1.00 15.60 H new ATOM 0 HB2 HIS J 10 5.388 -0.362 5.530 1.00 20.85 H new ATOM 0 HB3 HIS J 10 5.325 0.768 4.191 1.00 20.85 H new ATOM 0 HD1 HIS J 10 4.123 -1.059 1.976 1.00 40.00 H new ATOM 0 HD2 HIS J 10 2.655 -0.885 5.914 1.00 37.90 H new ATOM 0 HE1 HIS J 10 1.717 -1.915 1.927 1.00 40.00 H new ATOM 3616 N LEU J 11 8.386 -1.373 4.811 1.00 9.47 N ATOM 3617 CA LEU J 11 9.796 -0.972 5.070 1.00 7.67 C ATOM 3618 C LEU J 11 10.574 -1.243 3.790 1.00 6.32 C ATOM 3619 O LEU J 11 11.454 -0.502 3.407 1.00 6.32 O ATOM 3620 CB LEU J 11 10.399 -1.805 6.202 1.00 8.55 C ATOM 3621 CG LEU J 11 9.484 -1.780 7.421 1.00 7.96 C ATOM 3622 CD1 LEU J 11 10.101 -2.635 8.525 1.00 10.78 C ATOM 3623 CD2 LEU J 11 9.329 -0.346 7.920 1.00 8.85 C ATOM 0 H LEU J 11 8.064 -2.200 5.314 1.00 9.47 H new ATOM 0 HA LEU J 11 9.840 0.078 5.361 1.00 7.67 H new ATOM 0 HB2 LEU J 11 10.545 -2.833 5.869 1.00 8.55 H new ATOM 0 HB3 LEU J 11 11.381 -1.414 6.468 1.00 8.55 H new ATOM 0 HG LEU J 11 8.505 -2.174 7.149 1.00 7.96 H new ATOM 0 HD11 LEU J 11 9.452 -2.622 9.401 1.00 10.78 H new ATOM 0 HD12 LEU J 11 10.213 -3.660 8.172 1.00 10.78 H new ATOM 0 HD13 LEU J 11 11.079 -2.234 8.792 1.00 10.78 H new ATOM 0 HD21 LEU J 11 8.674 -0.333 8.791 1.00 8.85 H new ATOM 0 HD22 LEU J 11 10.306 0.051 8.194 1.00 8.85 H new ATOM 0 HD23 LEU J 11 8.896 0.269 7.131 1.00 8.85 H new ATOM 3635 N VAL J 12 10.240 -2.316 3.127 1.00 7.67 N ATOM 3636 CA VAL J 12 10.935 -2.676 1.863 1.00 9.16 C ATOM 3637 C VAL J 12 10.631 -1.630 0.790 1.00 9.47 C ATOM 3638 O VAL J 12 11.462 -1.319 -0.035 1.00 10.12 O ATOM 3639 CB VAL J 12 10.459 -4.047 1.384 1.00 16.01 C ATOM 3640 CG1 VAL J 12 10.793 -5.097 2.442 1.00 24.76 C ATOM 3641 CG2 VAL J 12 8.947 -4.021 1.149 1.00 32.43 C ATOM 0 H VAL J 12 9.506 -2.965 3.412 1.00 7.67 H new ATOM 0 HA VAL J 12 12.009 -2.708 2.044 1.00 9.16 H new ATOM 0 HB VAL J 12 10.961 -4.296 0.449 1.00 16.01 H new ATOM 0 HG11 VAL J 12 10.454 -6.076 2.103 1.00 24.76 H new ATOM 0 HG12 VAL J 12 11.871 -5.121 2.603 1.00 24.76 H new ATOM 0 HG13 VAL J 12 10.292 -4.844 3.377 1.00 24.76 H new ATOM 0 HG21 VAL J 12 8.615 -5.001 0.808 1.00 32.43 H new ATOM 0 HG22 VAL J 12 8.438 -3.769 2.080 1.00 32.43 H new ATOM 0 HG23 VAL J 12 8.709 -3.274 0.392 1.00 32.43 H new ATOM 3651 N GLU J 13 9.450 -1.081 0.794 1.00 11.12 N ATOM 3652 CA GLU J 13 9.109 -0.053 -0.230 1.00 14.03 C ATOM 3653 C GLU J 13 10.115 1.091 -0.147 1.00 13.27 C ATOM 3654 O GLU J 13 10.587 1.591 -1.146 1.00 17.27 O ATOM 3655 CB GLU J 13 7.705 0.491 0.036 1.00 19.47 C ATOM 3656 CG GLU J 13 6.677 -0.616 -0.198 1.00 40.00 C ATOM 3657 CD GLU J 13 5.300 0.010 -0.431 1.00 40.00 C ATOM 3658 OE1 GLU J 13 5.114 0.618 -1.473 1.00 40.00 O ATOM 3659 OE2 GLU J 13 4.455 -0.128 0.440 1.00 40.00 O ATOM 0 H GLU J 13 8.707 -1.298 1.459 1.00 11.12 H new ATOM 0 HA GLU J 13 9.142 -0.504 -1.222 1.00 14.03 H new ATOM 0 HB2 GLU J 13 7.633 0.858 1.060 1.00 19.47 H new ATOM 0 HB3 GLU J 13 7.501 1.337 -0.621 1.00 19.47 H new ATOM 0 HG2 GLU J 13 6.965 -1.219 -1.059 1.00 40.00 H new ATOM 0 HG3 GLU J 13 6.644 -1.285 0.662 1.00 40.00 H new ATOM 3666 N ALA J 14 10.453 1.506 1.037 1.00 10.78 N ATOM 3667 CA ALA J 14 11.433 2.613 1.184 1.00 11.81 C ATOM 3668 C ALA J 14 12.846 2.070 0.975 1.00 9.47 C ATOM 3669 O ALA J 14 13.732 2.772 0.533 1.00 11.12 O ATOM 3670 CB ALA J 14 11.321 3.205 2.588 1.00 12.90 C ATOM 0 H ALA J 14 10.092 1.126 1.912 1.00 10.78 H new ATOM 0 HA ALA J 14 11.225 3.386 0.444 1.00 11.81 H new ATOM 0 HB1 ALA J 14 12.039 4.018 2.699 1.00 12.90 H new ATOM 0 HB2 ALA J 14 10.312 3.589 2.742 1.00 12.90 H new ATOM 0 HB3 ALA J 14 11.532 2.432 3.327 1.00 12.90 H new ATOM 3676 N LEU J 15 13.063 0.825 1.294 1.00 8.25 N ATOM 3677 CA LEU J 15 14.418 0.235 1.121 1.00 9.79 C ATOM 3678 C LEU J 15 14.860 0.346 -0.334 1.00 11.46 C ATOM 3679 O LEU J 15 15.827 1.015 -0.639 1.00 14.03 O ATOM 3680 CB LEU J 15 14.394 -1.239 1.508 1.00 10.12 C ATOM 3681 CG LEU J 15 14.654 -1.387 3.005 1.00 9.79 C ATOM 3682 CD1 LEU J 15 14.460 -2.846 3.412 1.00 11.12 C ATOM 3683 CD2 LEU J 15 16.088 -0.966 3.314 1.00 15.60 C ATOM 0 H LEU J 15 12.358 0.190 1.668 1.00 8.25 H new ATOM 0 HA LEU J 15 15.114 0.779 1.760 1.00 9.79 H new ATOM 0 HB2 LEU J 15 13.428 -1.675 1.253 1.00 10.12 H new ATOM 0 HB3 LEU J 15 15.150 -1.785 0.943 1.00 10.12 H new ATOM 0 HG LEU J 15 13.959 -0.756 3.559 1.00 9.79 H new ATOM 0 HD11 LEU J 15 14.645 -2.953 4.481 1.00 11.12 H new ATOM 0 HD12 LEU J 15 13.438 -3.153 3.188 1.00 11.12 H new ATOM 0 HD13 LEU J 15 15.158 -3.474 2.858 1.00 11.12 H new ATOM 0 HD21 LEU J 15 16.276 -1.071 4.383 1.00 15.60 H new ATOM 0 HD22 LEU J 15 16.781 -1.600 2.760 1.00 15.60 H new ATOM 0 HD23 LEU J 15 16.233 0.074 3.020 1.00 15.60 H new ATOM 3695 N TYR J 16 14.186 -0.325 -1.236 1.00 16.01 N ATOM 3696 CA TYR J 16 14.620 -0.259 -2.659 1.00 25.80 C ATOM 3697 C TYR J 16 14.376 1.140 -3.236 1.00 19.92 C ATOM 3698 O TYR J 16 14.891 1.473 -4.286 1.00 21.79 O ATOM 3699 CB TYR J 16 13.951 -1.370 -3.491 1.00 40.00 C ATOM 3700 CG TYR J 16 12.541 -1.032 -3.913 1.00 18.57 C ATOM 3701 CD1 TYR J 16 11.652 -0.291 -3.034 1.00 40.00 C ATOM 3702 CD2 TYR J 16 12.071 -1.485 -5.212 1.00 40.00 C ATOM 3703 CE1 TYR J 16 10.286 -0.002 -3.459 1.00 40.00 C ATOM 3704 CE2 TYR J 16 10.714 -1.194 -5.637 1.00 40.00 C ATOM 3705 CZ TYR J 16 9.821 -0.455 -4.763 1.00 40.00 C ATOM 3706 OH TYR J 16 8.533 -0.186 -5.169 1.00 40.00 O ATOM 0 H TYR J 16 13.368 -0.905 -1.050 1.00 16.01 H new ATOM 0 HA TYR J 16 15.694 -0.438 -2.707 1.00 25.80 H new ATOM 0 HB2 TYR J 16 14.553 -1.562 -4.379 1.00 40.00 H new ATOM 0 HB3 TYR J 16 13.938 -2.292 -2.910 1.00 40.00 H new ATOM 0 HD1 TYR J 16 12.001 0.045 -2.069 1.00 40.00 H new ATOM 0 HD2 TYR J 16 12.732 -2.039 -5.862 1.00 40.00 H new ATOM 0 HE1 TYR J 16 9.621 0.547 -2.808 1.00 40.00 H new ATOM 0 HE2 TYR J 16 10.368 -1.528 -6.604 1.00 40.00 H new ATOM 0 HH TYR J 16 8.517 0.658 -5.667 1.00 40.00 H new ATOM 3716 N LEU J 17 13.648 1.984 -2.545 1.00 16.84 N ATOM 3717 CA LEU J 17 13.457 3.366 -3.052 1.00 15.60 C ATOM 3718 C LEU J 17 14.771 4.106 -2.814 1.00 11.81 C ATOM 3719 O LEU J 17 15.240 4.862 -3.640 1.00 12.53 O ATOM 3720 CB LEU J 17 12.336 4.057 -2.281 1.00 20.85 C ATOM 3721 CG LEU J 17 11.722 5.151 -3.149 1.00 19.92 C ATOM 3722 CD1 LEU J 17 10.526 4.581 -3.912 1.00 40.00 C ATOM 3723 CD2 LEU J 17 11.253 6.303 -2.260 1.00 40.00 C ATOM 0 H LEU J 17 13.185 1.773 -1.661 1.00 16.84 H new ATOM 0 HA LEU J 17 13.189 3.359 -4.108 1.00 15.60 H new ATOM 0 HB2 LEU J 17 11.573 3.331 -1.998 1.00 20.85 H new ATOM 0 HB3 LEU J 17 12.726 4.486 -1.358 1.00 20.85 H new ATOM 0 HG LEU J 17 12.467 5.516 -3.856 1.00 19.92 H new ATOM 0 HD11 LEU J 17 10.085 5.361 -4.533 1.00 40.00 H new ATOM 0 HD12 LEU J 17 10.857 3.757 -4.544 1.00 40.00 H new ATOM 0 HD13 LEU J 17 9.782 4.218 -3.203 1.00 40.00 H new ATOM 0 HD21 LEU J 17 10.814 7.085 -2.879 1.00 40.00 H new ATOM 0 HD22 LEU J 17 10.507 5.938 -1.554 1.00 40.00 H new ATOM 0 HD23 LEU J 17 12.103 6.709 -1.712 1.00 40.00 H new ATOM 3735 N VAL J 18 15.376 3.860 -1.682 1.00 10.78 N ATOM 3736 CA VAL J 18 16.673 4.506 -1.358 1.00 11.12 C ATOM 3737 C VAL J 18 17.765 3.858 -2.203 1.00 11.81 C ATOM 3738 O VAL J 18 18.704 4.499 -2.625 1.00 15.20 O ATOM 3739 CB VAL J 18 16.987 4.291 0.121 1.00 12.17 C ATOM 3740 CG1 VAL J 18 18.331 4.936 0.456 1.00 15.20 C ATOM 3741 CG2 VAL J 18 15.890 4.927 0.974 1.00 14.03 C ATOM 0 H VAL J 18 15.019 3.231 -0.963 1.00 10.78 H new ATOM 0 HA VAL J 18 16.622 5.574 -1.568 1.00 11.12 H new ATOM 0 HB VAL J 18 17.035 3.222 0.330 1.00 12.17 H new ATOM 0 HG11 VAL J 18 18.555 4.783 1.512 1.00 15.20 H new ATOM 0 HG12 VAL J 18 19.114 4.482 -0.151 1.00 15.20 H new ATOM 0 HG13 VAL J 18 18.284 6.005 0.247 1.00 15.20 H new ATOM 0 HG21 VAL J 18 16.115 4.773 2.029 1.00 14.03 H new ATOM 0 HG22 VAL J 18 15.841 5.996 0.765 1.00 14.03 H new ATOM 0 HG23 VAL J 18 14.931 4.466 0.736 1.00 14.03 H new ATOM 3751 N CYS J 19 17.643 2.586 -2.452 1.00 11.12 N ATOM 3752 CA CYS J 19 18.663 1.884 -3.276 1.00 15.20 C ATOM 3753 C CYS J 19 18.450 2.232 -4.747 1.00 22.76 C ATOM 3754 O CYS J 19 19.369 2.231 -5.540 1.00 40.00 O ATOM 3755 CB CYS J 19 18.513 0.378 -3.090 1.00 14.41 C ATOM 3756 SG CYS J 19 19.063 -0.083 -1.433 1.00 24.26 S ATOM 0 H CYS J 19 16.878 2.000 -2.119 1.00 11.12 H new ATOM 0 HA CYS J 19 19.661 2.195 -2.965 1.00 15.20 H new ATOM 0 HB2 CYS J 19 17.473 0.085 -3.234 1.00 14.41 H new ATOM 0 HB3 CYS J 19 19.100 -0.152 -3.840 1.00 14.41 H new ATOM 3761 N GLY J 20 17.238 2.530 -5.119 1.00 20.38 N ATOM 3762 CA GLY J 20 16.959 2.879 -6.540 1.00 29.57 C ATOM 3763 C GLY J 20 16.967 1.612 -7.392 1.00 30.70 C ATOM 3764 O GLY J 20 16.064 0.801 -7.327 1.00 40.00 O ATOM 0 H GLY J 20 16.427 2.547 -4.501 1.00 20.38 H new ATOM 0 HA2 GLY J 20 15.992 3.376 -6.619 1.00 29.57 H new ATOM 0 HA3 GLY J 20 17.709 3.580 -6.906 1.00 29.57 H new ATOM 3768 N GLU J 21 17.977 1.434 -8.196 1.00 33.61 N ATOM 3769 CA GLU J 21 18.041 0.218 -9.054 1.00 40.00 C ATOM 3770 C GLU J 21 18.725 -0.917 -8.291 1.00 34.20 C ATOM 3771 O GLU J 21 18.551 -2.077 -8.602 1.00 40.00 O ATOM 3772 CB GLU J 21 18.841 0.530 -10.319 1.00 40.00 C ATOM 3773 CG GLU J 21 17.984 1.367 -11.272 1.00 40.00 C ATOM 3774 CD GLU J 21 18.889 2.286 -12.097 1.00 40.00 C ATOM 3775 OE1 GLU J 21 19.347 3.281 -11.555 1.00 40.00 O ATOM 3776 OE2 GLU J 21 19.111 1.977 -13.259 1.00 40.00 O ATOM 0 H GLU J 21 18.762 2.078 -8.296 1.00 33.61 H new ATOM 0 HA GLU J 21 17.029 -0.085 -9.324 1.00 40.00 H new ATOM 0 HB2 GLU J 21 19.752 1.071 -10.062 1.00 40.00 H new ATOM 0 HB3 GLU J 21 19.147 -0.396 -10.806 1.00 40.00 H new ATOM 0 HG2 GLU J 21 17.412 0.715 -11.932 1.00 40.00 H new ATOM 0 HG3 GLU J 21 17.265 1.959 -10.706 1.00 40.00 H new ATOM 3783 N ARG J 22 19.508 -0.596 -7.299 1.00 25.80 N ATOM 3784 CA ARG J 22 20.203 -1.661 -6.528 1.00 24.76 C ATOM 3785 C ARG J 22 19.175 -2.576 -5.861 1.00 29.57 C ATOM 3786 O ARG J 22 17.986 -2.321 -5.888 1.00 40.00 O ATOM 3787 CB ARG J 22 21.079 -1.016 -5.459 1.00 24.76 C ATOM 3788 CG ARG J 22 22.515 -0.926 -5.973 1.00 36.65 C ATOM 3789 CD ARG J 22 23.452 -0.617 -4.809 1.00 40.00 C ATOM 3790 NE ARG J 22 23.202 0.771 -4.334 1.00 40.00 N ATOM 3791 CZ ARG J 22 24.025 1.332 -3.491 1.00 40.00 C ATOM 3792 NH1 ARG J 22 24.696 0.598 -2.642 1.00 40.00 N ATOM 3793 NH2 ARG J 22 24.175 2.630 -3.495 1.00 40.00 N ATOM 0 H ARG J 22 19.696 0.358 -6.990 1.00 25.80 H new ATOM 0 HA ARG J 22 20.821 -2.252 -7.204 1.00 24.76 H new ATOM 0 HB2 ARG J 22 20.704 -0.022 -5.216 1.00 24.76 H new ATOM 0 HB3 ARG J 22 21.045 -1.603 -4.541 1.00 24.76 H new ATOM 0 HG2 ARG J 22 22.803 -1.865 -6.447 1.00 36.65 H new ATOM 0 HG3 ARG J 22 22.593 -0.149 -6.733 1.00 36.65 H new ATOM 0 HD2 ARG J 22 23.289 -1.326 -3.998 1.00 40.00 H new ATOM 0 HD3 ARG J 22 24.490 -0.725 -5.124 1.00 40.00 H new ATOM 0 HE ARG J 22 22.386 1.284 -4.668 1.00 40.00 H new ATOM 0 HH11 ARG J 22 24.577 -0.415 -2.638 1.00 40.00 H new ATOM 0 HH12 ARG J 22 25.339 1.038 -1.984 1.00 40.00 H new ATOM 0 HH21 ARG J 22 23.649 3.202 -4.156 1.00 40.00 H new ATOM 0 HH22 ARG J 22 24.818 3.071 -2.837 1.00 40.00 H new ATOM 3807 N GLY J 23 19.626 -3.642 -5.259 1.00 24.26 N ATOM 3808 CA GLY J 23 18.680 -4.577 -4.587 1.00 23.26 C ATOM 3809 C GLY J 23 18.998 -4.635 -3.095 1.00 23.26 C ATOM 3810 O GLY J 23 19.843 -3.913 -2.607 1.00 28.47 O ATOM 0 H GLY J 23 20.610 -3.906 -5.203 1.00 24.26 H new ATOM 0 HA2 GLY J 23 17.653 -4.244 -4.738 1.00 23.26 H new ATOM 0 HA3 GLY J 23 18.761 -5.571 -5.026 1.00 23.26 H new ATOM 3814 N PHE J 24 18.329 -5.485 -2.366 1.00 20.85 N ATOM 3815 CA PHE J 24 18.604 -5.579 -0.906 1.00 21.32 C ATOM 3816 C PHE J 24 18.099 -6.921 -0.368 1.00 17.27 C ATOM 3817 O PHE J 24 17.251 -7.558 -0.956 1.00 20.38 O ATOM 3818 CB PHE J 24 17.892 -4.427 -0.183 1.00 23.75 C ATOM 3819 CG PHE J 24 16.394 -4.548 -0.361 1.00 22.28 C ATOM 3820 CD1 PHE J 24 15.789 -4.287 -1.655 1.00 40.00 C ATOM 3821 CD2 PHE J 24 15.562 -4.936 0.767 1.00 40.00 C ATOM 3822 CE1 PHE J 24 14.350 -4.412 -1.824 1.00 40.00 C ATOM 3823 CE2 PHE J 24 14.121 -5.062 0.597 1.00 40.00 C ATOM 3824 CZ PHE J 24 13.516 -4.797 -0.698 1.00 21.79 C ATOM 0 H PHE J 24 17.608 -6.115 -2.716 1.00 20.85 H new ATOM 0 HA PHE J 24 19.678 -5.510 -0.732 1.00 21.32 H new ATOM 0 HB2 PHE J 24 18.142 -4.443 0.878 1.00 23.75 H new ATOM 0 HB3 PHE J 24 18.237 -3.471 -0.578 1.00 23.75 H new ATOM 0 HD1 PHE J 24 16.408 -4.000 -2.492 1.00 40.00 H new ATOM 0 HD2 PHE J 24 16.012 -5.130 1.729 1.00 40.00 H new ATOM 0 HE1 PHE J 24 13.901 -4.219 -2.787 1.00 40.00 H new ATOM 0 HE2 PHE J 24 13.502 -5.352 1.433 1.00 40.00 H new ATOM 0 HZ PHE J 24 12.447 -4.886 -0.823 1.00 21.79 H new ATOM 3834 N PHE J 25 18.601 -7.339 0.755 1.00 14.41 N ATOM 3835 CA PHE J 25 18.137 -8.626 1.342 1.00 12.53 C ATOM 3836 C PHE J 25 17.229 -8.317 2.531 1.00 10.45 C ATOM 3837 O PHE J 25 17.608 -7.622 3.449 1.00 12.90 O ATOM 3838 CB PHE J 25 19.331 -9.478 1.803 1.00 15.20 C ATOM 3839 CG PHE J 25 20.371 -8.612 2.472 1.00 33.61 C ATOM 3840 CD1 PHE J 25 21.429 -8.012 1.676 1.00 40.00 C ATOM 3841 CD2 PHE J 25 20.317 -8.377 3.906 1.00 40.00 C ATOM 3842 CE1 PHE J 25 22.433 -7.175 2.312 1.00 40.00 C ATOM 3843 CE2 PHE J 25 21.322 -7.540 4.544 1.00 40.00 C ATOM 3844 CZ PHE J 25 22.381 -6.939 3.747 1.00 40.00 C ATOM 0 H PHE J 25 19.313 -6.847 1.294 1.00 14.41 H new ATOM 0 HA PHE J 25 17.592 -9.192 0.587 1.00 12.53 H new ATOM 0 HB2 PHE J 25 18.990 -10.248 2.495 1.00 15.20 H new ATOM 0 HB3 PHE J 25 19.771 -9.991 0.948 1.00 15.20 H new ATOM 0 HD1 PHE J 25 21.469 -8.188 0.611 1.00 40.00 H new ATOM 0 HD2 PHE J 25 19.531 -8.824 4.497 1.00 40.00 H new ATOM 0 HE1 PHE J 25 23.218 -6.728 1.719 1.00 40.00 H new ATOM 0 HE2 PHE J 25 21.282 -7.365 5.609 1.00 40.00 H new ATOM 0 HZ PHE J 25 23.128 -6.318 4.220 1.00 40.00 H new ATOM 3854 N TYR J 26 16.025 -8.816 2.513 1.00 11.12 N ATOM 3855 CA TYR J 26 15.086 -8.539 3.634 1.00 10.78 C ATOM 3856 C TYR J 26 14.806 -9.825 4.413 1.00 10.12 C ATOM 3857 O TYR J 26 14.227 -10.758 3.899 1.00 11.46 O ATOM 3858 CB TYR J 26 13.776 -7.996 3.067 1.00 11.46 C ATOM 3859 CG TYR J 26 12.897 -7.518 4.194 1.00 14.41 C ATOM 3860 CD1 TYR J 26 13.090 -6.189 4.751 1.00 40.00 C ATOM 3861 CD2 TYR J 26 11.856 -8.384 4.724 1.00 40.00 C ATOM 3862 CE1 TYR J 26 12.244 -5.725 5.838 1.00 40.00 C ATOM 3863 CE2 TYR J 26 11.008 -7.921 5.813 1.00 40.00 C ATOM 3864 CZ TYR J 26 11.202 -6.591 6.369 1.00 28.47 C ATOM 3865 OH TYR J 26 10.401 -6.151 7.402 1.00 39.82 O ATOM 0 H TYR J 26 15.650 -9.405 1.769 1.00 11.12 H new ATOM 0 HA TYR J 26 15.533 -7.806 4.305 1.00 10.78 H new ATOM 0 HB2 TYR J 26 13.978 -7.176 2.378 1.00 11.46 H new ATOM 0 HB3 TYR J 26 13.265 -8.772 2.498 1.00 11.46 H new ATOM 0 HD1 TYR J 26 13.863 -5.546 4.357 1.00 40.00 H new ATOM 0 HD2 TYR J 26 11.712 -9.371 4.310 1.00 40.00 H new ATOM 0 HE1 TYR J 26 12.389 -4.738 6.251 1.00 40.00 H new ATOM 0 HE2 TYR J 26 10.236 -8.564 6.208 1.00 40.00 H new ATOM 0 HH TYR J 26 10.041 -6.922 7.888 1.00 39.82 H new ATOM 3875 N THR J 27 15.202 -9.874 5.654 1.00 14.03 N ATOM 3876 CA THR J 27 14.946 -11.093 6.468 1.00 16.43 C ATOM 3877 C THR J 27 14.170 -10.697 7.740 1.00 25.28 C ATOM 3878 O THR J 27 14.777 -10.271 8.700 1.00 35.41 O ATOM 3879 CB THR J 27 16.274 -11.738 6.864 1.00 23.26 C ATOM 3880 OG1 THR J 27 17.212 -10.721 7.177 1.00 40.00 O ATOM 3881 CG2 THR J 27 16.798 -12.585 5.705 1.00 25.28 C ATOM 0 H THR J 27 15.692 -9.122 6.139 1.00 14.03 H new ATOM 0 HA THR J 27 14.362 -11.804 5.884 1.00 16.43 H new ATOM 0 HB THR J 27 16.126 -12.377 7.735 1.00 23.26 H new ATOM 0 HG1 THR J 27 16.820 -10.105 7.831 1.00 40.00 H new ATOM 0 HG21 THR J 27 17.745 -13.044 5.989 1.00 25.28 H new ATOM 0 HG22 THR J 27 16.074 -13.364 5.467 1.00 25.28 H new ATOM 0 HG23 THR J 27 16.950 -11.952 4.831 1.00 25.28 H new ATOM 3889 N PRO J 28 12.847 -10.840 7.732 1.00 30.13 N ATOM 3890 CA PRO J 28 12.030 -10.483 8.904 1.00 40.00 C ATOM 3891 C PRO J 28 12.098 -11.601 9.944 1.00 40.00 C ATOM 3892 O PRO J 28 11.099 -12.198 10.296 1.00 40.00 O ATOM 3893 CB PRO J 28 10.612 -10.356 8.341 1.00 40.00 C ATOM 3894 CG PRO J 28 10.582 -11.187 7.037 1.00 40.00 C ATOM 3895 CD PRO J 28 12.045 -11.362 6.591 1.00 30.13 C ATOM 0 HA PRO J 28 12.365 -9.571 9.399 1.00 40.00 H new ATOM 0 HB2 PRO J 28 9.876 -10.727 9.055 1.00 40.00 H new ATOM 0 HB3 PRO J 28 10.365 -9.313 8.142 1.00 40.00 H new ATOM 0 HG2 PRO J 28 10.110 -12.155 7.206 1.00 40.00 H new ATOM 0 HG3 PRO J 28 10.001 -10.679 6.267 1.00 40.00 H new ATOM 0 HD2 PRO J 28 12.276 -12.408 6.389 1.00 30.13 H new ATOM 0 HD3 PRO J 28 12.250 -10.808 5.675 1.00 30.13 H new ATOM 3903 N LYS J 29 13.270 -11.895 10.431 1.00 40.00 N ATOM 3904 CA LYS J 29 13.400 -12.979 11.440 1.00 40.00 C ATOM 3905 C LYS J 29 14.628 -12.714 12.310 1.00 40.00 C ATOM 3906 O LYS J 29 15.756 -12.883 11.881 1.00 40.00 O ATOM 3907 CB LYS J 29 13.563 -14.322 10.727 1.00 40.00 C ATOM 3908 CG LYS J 29 13.580 -15.453 11.758 1.00 40.00 C ATOM 3909 CD LYS J 29 14.120 -16.729 11.109 1.00 40.00 C ATOM 3910 CE LYS J 29 15.053 -17.446 12.089 1.00 40.00 C ATOM 3911 NZ LYS J 29 16.343 -17.761 11.409 1.00 40.00 N ATOM 0 H LYS J 29 14.142 -11.432 10.174 1.00 40.00 H new ATOM 0 HA LYS J 29 12.507 -13.005 12.065 1.00 40.00 H new ATOM 0 HB2 LYS J 29 12.746 -14.472 10.021 1.00 40.00 H new ATOM 0 HB3 LYS J 29 14.488 -14.329 10.150 1.00 40.00 H new ATOM 0 HG2 LYS J 29 14.202 -15.174 12.609 1.00 40.00 H new ATOM 0 HG3 LYS J 29 12.574 -15.625 12.141 1.00 40.00 H new ATOM 0 HD2 LYS J 29 13.295 -17.385 10.830 1.00 40.00 H new ATOM 0 HD3 LYS J 29 14.657 -16.484 10.192 1.00 40.00 H new ATOM 0 HE2 LYS J 29 15.234 -16.818 12.961 1.00 40.00 H new ATOM 0 HE3 LYS J 29 14.586 -18.363 12.448 1.00 40.00 H new ATOM 0 HZ1 LYS J 29 16.976 -18.248 12.075 1.00 40.00 H new ATOM 0 HZ2 LYS J 29 16.163 -18.376 10.590 1.00 40.00 H new ATOM 0 HZ3 LYS J 29 16.790 -16.879 11.088 1.00 40.00 H new ATOM 3925 N THR J 30 14.417 -12.302 13.530 1.00 40.00 N ATOM 3926 CA THR J 30 15.571 -12.027 14.433 1.00 40.00 C ATOM 3927 C THR J 30 16.448 -13.280 14.531 1.00 40.00 C ATOM 3928 O THR J 30 15.983 -14.264 15.085 1.00 40.00 O ATOM 3929 CB THR J 30 15.057 -11.654 15.832 1.00 40.00 C ATOM 3930 OG1 THR J 30 13.638 -11.528 15.809 1.00 40.00 O ATOM 3931 CG2 THR J 30 15.683 -10.326 16.267 1.00 40.00 C ATOM 3932 OXT THR J 30 17.570 -13.233 14.047 1.00 40.00 O ATOM 0 H THR J 30 13.497 -12.144 13.940 1.00 40.00 H new ATOM 0 HA THR J 30 16.156 -11.199 14.031 1.00 40.00 H new ATOM 0 HB THR J 30 15.334 -12.437 16.538 1.00 40.00 H new ATOM 0 HG1 THR J 30 13.316 -11.292 16.704 1.00 40.00 H new ATOM 0 HG21 THR J 30 15.319 -10.060 17.259 1.00 40.00 H new ATOM 0 HG22 THR J 30 16.768 -10.427 16.293 1.00 40.00 H new ATOM 0 HG23 THR J 30 15.408 -9.545 15.558 1.00 40.00 H new TER 3940 THR J 30 ATOM 3941 N GLY K 1 14.338 -11.639 -14.446 1.00 40.00 N ATOM 3942 CA GLY K 1 14.781 -12.266 -13.167 1.00 40.00 C ATOM 3943 C GLY K 1 13.566 -12.503 -12.267 1.00 40.00 C ATOM 3944 O GLY K 1 13.011 -13.584 -12.225 1.00 40.00 O ATOM 0 H1 GLY K 1 15.163 -11.478 -15.058 1.00 40.00 H new ATOM 0 H2 GLY K 1 13.668 -12.271 -14.928 1.00 40.00 H new ATOM 0 H3 GLY K 1 13.874 -10.730 -14.245 1.00 40.00 H new ATOM 0 HA2 GLY K 1 15.287 -13.210 -13.369 1.00 40.00 H new ATOM 0 HA3 GLY K 1 15.500 -11.620 -12.663 1.00 40.00 H new ATOM 3950 N ILE K 2 13.147 -11.501 -11.544 1.00 33.61 N ATOM 3951 CA ILE K 2 11.969 -11.667 -10.647 1.00 25.80 C ATOM 3952 C ILE K 2 10.974 -10.539 -10.909 1.00 21.32 C ATOM 3953 O ILE K 2 9.779 -10.751 -10.962 1.00 23.26 O ATOM 3954 CB ILE K 2 12.431 -11.611 -9.190 1.00 27.38 C ATOM 3955 CG1 ILE K 2 11.222 -11.756 -8.262 1.00 27.38 C ATOM 3956 CG2 ILE K 2 13.115 -10.268 -8.927 1.00 32.43 C ATOM 3957 CD1 ILE K 2 11.696 -11.786 -6.809 1.00 34.81 C ATOM 0 H ILE K 2 13.570 -10.573 -11.536 1.00 33.61 H new ATOM 0 HA ILE K 2 11.491 -12.627 -10.841 1.00 25.80 H new ATOM 0 HB ILE K 2 13.133 -12.423 -9.000 1.00 27.38 H new ATOM 0 HG12 ILE K 2 10.532 -10.926 -8.414 1.00 27.38 H new ATOM 0 HG13 ILE K 2 10.677 -12.670 -8.497 1.00 27.38 H new ATOM 0 HG21 ILE K 2 13.445 -10.225 -7.889 1.00 32.43 H new ATOM 0 HG22 ILE K 2 13.976 -10.163 -9.587 1.00 32.43 H new ATOM 0 HG23 ILE K 2 12.411 -9.458 -9.117 1.00 32.43 H new ATOM 0 HD11 ILE K 2 10.836 -11.889 -6.148 1.00 34.81 H new ATOM 0 HD12 ILE K 2 12.369 -12.631 -6.663 1.00 34.81 H new ATOM 0 HD13 ILE K 2 12.222 -10.859 -6.579 1.00 34.81 H new ATOM 3969 N VAL K 3 11.459 -9.340 -11.070 1.00 24.76 N ATOM 3970 CA VAL K 3 10.547 -8.194 -11.326 1.00 29.57 C ATOM 3971 C VAL K 3 9.845 -8.390 -12.666 1.00 33.01 C ATOM 3972 O VAL K 3 8.634 -8.442 -12.748 1.00 40.00 O ATOM 3973 CB VAL K 3 11.359 -6.901 -11.374 1.00 40.00 C ATOM 3974 CG1 VAL K 3 10.408 -5.707 -11.463 1.00 40.00 C ATOM 3975 CG2 VAL K 3 12.207 -6.786 -10.105 1.00 40.00 C ATOM 0 H VAL K 3 12.451 -9.105 -11.035 1.00 24.76 H new ATOM 0 HA VAL K 3 9.806 -8.137 -10.528 1.00 29.57 H new ATOM 0 HB VAL K 3 12.011 -6.911 -12.247 1.00 40.00 H new ATOM 0 HG11 VAL K 3 10.986 -4.783 -11.497 1.00 40.00 H new ATOM 0 HG12 VAL K 3 9.803 -5.790 -12.366 1.00 40.00 H new ATOM 0 HG13 VAL K 3 9.756 -5.695 -10.589 1.00 40.00 H new ATOM 0 HG21 VAL K 3 12.787 -5.864 -10.137 1.00 40.00 H new ATOM 0 HG22 VAL K 3 11.555 -6.774 -9.232 1.00 40.00 H new ATOM 0 HG23 VAL K 3 12.884 -7.638 -10.041 1.00 40.00 H new ATOM 3985 N GLU K 4 10.602 -8.492 -13.716 1.00 39.17 N ATOM 3986 CA GLU K 4 9.996 -8.678 -15.060 1.00 40.00 C ATOM 3987 C GLU K 4 9.221 -9.998 -15.117 1.00 39.17 C ATOM 3988 O GLU K 4 8.414 -10.213 -16.000 1.00 40.00 O ATOM 3989 CB GLU K 4 11.112 -8.704 -16.104 1.00 40.00 C ATOM 3990 CG GLU K 4 10.506 -8.697 -17.505 1.00 40.00 C ATOM 3991 CD GLU K 4 11.631 -8.749 -18.540 1.00 40.00 C ATOM 3992 OE1 GLU K 4 12.670 -9.313 -18.228 1.00 40.00 O ATOM 3993 OE2 GLU K 4 11.435 -8.223 -19.626 1.00 40.00 O ATOM 0 H GLU K 4 11.621 -8.454 -13.703 1.00 39.17 H new ATOM 0 HA GLU K 4 9.308 -7.857 -15.261 1.00 40.00 H new ATOM 0 HB2 GLU K 4 11.764 -7.840 -15.975 1.00 40.00 H new ATOM 0 HB3 GLU K 4 11.729 -9.592 -15.969 1.00 40.00 H new ATOM 0 HG2 GLU K 4 9.840 -9.551 -17.631 1.00 40.00 H new ATOM 0 HG3 GLU K 4 9.904 -7.800 -17.649 1.00 40.00 H new ATOM 4000 N GLN K 5 9.463 -10.894 -14.200 1.00 29.57 N ATOM 4001 CA GLN K 5 8.746 -12.197 -14.234 1.00 26.32 C ATOM 4002 C GLN K 5 7.445 -12.120 -13.432 1.00 19.47 C ATOM 4003 O GLN K 5 6.443 -12.691 -13.813 1.00 23.75 O ATOM 4004 CB GLN K 5 9.644 -13.272 -13.625 1.00 34.20 C ATOM 4005 CG GLN K 5 8.942 -14.627 -13.698 1.00 26.85 C ATOM 4006 CD GLN K 5 9.722 -15.645 -12.867 1.00 26.32 C ATOM 4007 OE1 GLN K 5 9.079 -16.437 -12.053 1.00 35.41 O flip ATOM 4008 NE2 GLN K 5 10.931 -15.723 -12.959 1.00 30.13 N flip ATOM 0 H GLN K 5 10.124 -10.780 -13.432 1.00 29.57 H new ATOM 0 HA GLN K 5 8.506 -12.440 -15.269 1.00 26.32 H new ATOM 0 HB2 GLN K 5 10.593 -13.313 -14.160 1.00 34.20 H new ATOM 0 HB3 GLN K 5 9.873 -13.025 -12.588 1.00 34.20 H new ATOM 0 HG2 GLN K 5 7.921 -14.541 -13.325 1.00 26.85 H new ATOM 0 HG3 GLN K 5 8.876 -14.960 -14.734 1.00 26.85 H new ATOM 0 HE21 GLN K 5 11.435 -15.105 -13.595 1.00 30.13 H new ATOM 0 HE22 GLN K 5 11.442 -16.407 -12.401 1.00 30.13 H new ATOM 4017 N CYS K 6 7.453 -11.448 -12.313 1.00 14.80 N ATOM 4018 CA CYS K 6 6.213 -11.384 -11.488 1.00 12.53 C ATOM 4019 C CYS K 6 5.457 -10.080 -11.725 1.00 13.64 C ATOM 4020 O CYS K 6 4.290 -9.982 -11.397 1.00 17.70 O ATOM 4021 CB CYS K 6 6.580 -11.506 -10.011 1.00 12.90 C ATOM 4022 SG CYS K 6 7.543 -13.018 -9.745 1.00 15.60 S ATOM 0 H CYS K 6 8.257 -10.945 -11.937 1.00 14.80 H new ATOM 0 HA CYS K 6 5.563 -12.209 -11.780 1.00 12.53 H new ATOM 0 HB2 CYS K 6 7.156 -10.636 -9.696 1.00 12.90 H new ATOM 0 HB3 CYS K 6 5.676 -11.527 -9.402 1.00 12.90 H new ATOM 4027 N CYS K 7 6.085 -9.085 -12.294 1.00 16.43 N ATOM 4028 CA CYS K 7 5.352 -7.811 -12.544 1.00 20.85 C ATOM 4029 C CYS K 7 4.823 -7.792 -13.983 1.00 22.28 C ATOM 4030 O CYS K 7 4.549 -6.754 -14.547 1.00 37.90 O ATOM 4031 CB CYS K 7 6.264 -6.611 -12.309 1.00 24.76 C ATOM 4032 SG CYS K 7 5.249 -5.112 -12.322 1.00 33.61 S ATOM 0 H CYS K 7 7.060 -9.098 -12.593 1.00 16.43 H new ATOM 0 HA CYS K 7 4.514 -7.749 -11.850 1.00 20.85 H new ATOM 0 HB2 CYS K 7 6.783 -6.710 -11.355 1.00 24.76 H new ATOM 0 HB3 CYS K 7 7.029 -6.558 -13.084 1.00 24.76 H new ATOM 4037 N THR K 8 4.647 -8.939 -14.572 1.00 21.32 N ATOM 4038 CA THR K 8 4.106 -8.986 -15.957 1.00 24.26 C ATOM 4039 C THR K 8 2.729 -9.642 -15.904 1.00 28.47 C ATOM 4040 O THR K 8 1.782 -9.185 -16.512 1.00 40.00 O ATOM 4041 CB THR K 8 5.036 -9.811 -16.846 1.00 28.47 C ATOM 4042 OG1 THR K 8 5.475 -10.957 -16.130 1.00 40.00 O ATOM 4043 CG2 THR K 8 6.244 -8.965 -17.245 1.00 40.00 C ATOM 0 H THR K 8 4.854 -9.846 -14.155 1.00 21.32 H new ATOM 0 HA THR K 8 4.031 -7.980 -16.369 1.00 24.26 H new ATOM 0 HB THR K 8 4.502 -10.123 -17.743 1.00 28.47 H new ATOM 0 HG1 THR K 8 6.442 -10.901 -15.984 1.00 40.00 H new ATOM 0 HG21 THR K 8 6.907 -9.554 -17.879 1.00 40.00 H new ATOM 0 HG22 THR K 8 5.907 -8.084 -17.792 1.00 40.00 H new ATOM 0 HG23 THR K 8 6.781 -8.653 -16.349 1.00 40.00 H new ATOM 4051 N SER K 9 2.614 -10.707 -15.158 1.00 23.75 N ATOM 4052 CA SER K 9 1.304 -11.402 -15.032 1.00 33.61 C ATOM 4053 C SER K 9 1.240 -12.097 -13.669 1.00 27.92 C ATOM 4054 O SER K 9 0.566 -13.092 -13.501 1.00 40.00 O ATOM 4055 CB SER K 9 1.170 -12.439 -16.146 1.00 40.00 C ATOM 4056 OG SER K 9 1.761 -11.926 -17.334 1.00 40.00 O ATOM 0 H SER K 9 3.377 -11.127 -14.628 1.00 23.75 H new ATOM 0 HA SER K 9 0.491 -10.681 -15.115 1.00 33.61 H new ATOM 0 HB2 SER K 9 1.658 -13.369 -15.855 1.00 40.00 H new ATOM 0 HB3 SER K 9 0.119 -12.671 -16.319 1.00 40.00 H new ATOM 0 HG SER K 9 1.679 -12.588 -18.052 1.00 40.00 H new ATOM 4062 N ILE K 10 1.946 -11.572 -12.700 1.00 20.38 N ATOM 4063 CA ILE K 10 1.945 -12.178 -11.337 1.00 16.84 C ATOM 4064 C ILE K 10 2.526 -13.592 -11.387 1.00 14.80 C ATOM 4065 O ILE K 10 2.164 -14.401 -12.216 1.00 19.47 O ATOM 4066 CB ILE K 10 0.514 -12.213 -10.787 1.00 20.85 C ATOM 4067 CG1 ILE K 10 -0.015 -10.782 -10.677 1.00 26.32 C ATOM 4068 CG2 ILE K 10 0.507 -12.861 -9.401 1.00 19.02 C ATOM 4069 CD1 ILE K 10 -0.851 -10.452 -11.915 1.00 37.27 C ATOM 0 H ILE K 10 2.529 -10.741 -12.798 1.00 20.38 H new ATOM 0 HA ILE K 10 2.565 -11.571 -10.677 1.00 16.84 H new ATOM 0 HB ILE K 10 -0.118 -12.793 -11.459 1.00 20.85 H new ATOM 0 HG12 ILE K 10 -0.620 -10.675 -9.777 1.00 26.32 H new ATOM 0 HG13 ILE K 10 0.815 -10.082 -10.588 1.00 26.32 H new ATOM 0 HG21 ILE K 10 -0.512 -12.883 -9.015 1.00 19.02 H new ATOM 0 HG22 ILE K 10 0.890 -13.879 -9.473 1.00 19.02 H new ATOM 0 HG23 ILE K 10 1.138 -12.283 -8.726 1.00 19.02 H new ATOM 0 HD11 ILE K 10 -1.229 -9.432 -11.838 1.00 37.27 H new ATOM 0 HD12 ILE K 10 -0.231 -10.543 -12.807 1.00 37.27 H new ATOM 0 HD13 ILE K 10 -1.689 -11.145 -11.983 1.00 37.27 H new ATOM 4081 N CYS K 11 3.423 -13.887 -10.486 1.00 12.17 N ATOM 4082 CA CYS K 11 4.037 -15.239 -10.446 1.00 13.27 C ATOM 4083 C CYS K 11 3.128 -16.168 -9.644 1.00 14.80 C ATOM 4084 O CYS K 11 2.163 -15.739 -9.046 1.00 16.01 O ATOM 4085 CB CYS K 11 5.401 -15.160 -9.754 1.00 14.41 C ATOM 4086 SG CYS K 11 6.619 -14.423 -10.871 1.00 15.60 S ATOM 0 H CYS K 11 3.758 -13.241 -9.771 1.00 12.17 H new ATOM 0 HA CYS K 11 4.163 -15.617 -11.461 1.00 13.27 H new ATOM 0 HB2 CYS K 11 5.323 -14.565 -8.844 1.00 14.41 H new ATOM 0 HB3 CYS K 11 5.725 -16.157 -9.456 1.00 14.41 H new ATOM 4091 N SER K 12 3.434 -17.435 -9.617 1.00 16.84 N ATOM 4092 CA SER K 12 2.591 -18.387 -8.843 1.00 19.92 C ATOM 4093 C SER K 12 3.136 -18.496 -7.421 1.00 19.47 C ATOM 4094 O SER K 12 4.273 -18.160 -7.155 1.00 18.13 O ATOM 4095 CB SER K 12 2.632 -19.764 -9.504 1.00 23.75 C ATOM 4096 OG SER K 12 1.909 -19.721 -10.727 1.00 40.00 O ATOM 0 H SER K 12 4.231 -17.852 -10.097 1.00 16.84 H new ATOM 0 HA SER K 12 1.563 -18.026 -8.820 1.00 19.92 H new ATOM 0 HB2 SER K 12 3.664 -20.060 -9.689 1.00 23.75 H new ATOM 0 HB3 SER K 12 2.200 -20.512 -8.839 1.00 23.75 H new ATOM 0 HG SER K 12 1.935 -20.603 -11.154 1.00 40.00 H new ATOM 4102 N LEU K 13 2.337 -18.966 -6.509 1.00 22.76 N ATOM 4103 CA LEU K 13 2.806 -19.102 -5.103 1.00 25.28 C ATOM 4104 C LEU K 13 4.090 -19.935 -5.061 1.00 25.28 C ATOM 4105 O LEU K 13 5.024 -19.615 -4.352 1.00 25.28 O ATOM 4106 CB LEU K 13 1.719 -19.791 -4.279 1.00 31.85 C ATOM 4107 CG LEU K 13 2.123 -19.802 -2.806 1.00 35.41 C ATOM 4108 CD1 LEU K 13 0.884 -19.583 -1.937 1.00 40.00 C ATOM 4109 CD2 LEU K 13 2.753 -21.155 -2.466 1.00 40.00 C ATOM 0 H LEU K 13 1.376 -19.263 -6.676 1.00 22.76 H new ATOM 0 HA LEU K 13 3.011 -18.114 -4.690 1.00 25.28 H new ATOM 0 HB2 LEU K 13 0.770 -19.270 -4.402 1.00 31.85 H new ATOM 0 HB3 LEU K 13 1.571 -20.811 -4.634 1.00 31.85 H new ATOM 0 HG LEU K 13 2.843 -19.006 -2.617 1.00 35.41 H new ATOM 0 HD11 LEU K 13 1.171 -19.591 -0.886 1.00 40.00 H new ATOM 0 HD12 LEU K 13 0.432 -18.622 -2.183 1.00 40.00 H new ATOM 0 HD13 LEU K 13 0.164 -20.380 -2.122 1.00 40.00 H new ATOM 0 HD21 LEU K 13 3.043 -21.168 -1.415 1.00 40.00 H new ATOM 0 HD22 LEU K 13 2.031 -21.950 -2.653 1.00 40.00 H new ATOM 0 HD23 LEU K 13 3.634 -21.312 -3.088 1.00 40.00 H new ATOM 4121 N TYR K 14 4.149 -21.002 -5.809 1.00 28.47 N ATOM 4122 CA TYR K 14 5.374 -21.853 -5.801 1.00 32.43 C ATOM 4123 C TYR K 14 6.533 -21.105 -6.453 1.00 28.47 C ATOM 4124 O TYR K 14 7.674 -21.247 -6.063 1.00 30.70 O ATOM 4125 CB TYR K 14 5.108 -23.139 -6.582 1.00 40.00 C ATOM 4126 CG TYR K 14 3.984 -23.895 -5.924 1.00 40.00 C ATOM 4127 CD1 TYR K 14 2.604 -23.579 -6.259 1.00 40.00 C ATOM 4128 CD2 TYR K 14 4.277 -24.933 -4.948 1.00 40.00 C ATOM 4129 CE1 TYR K 14 1.518 -24.301 -5.619 1.00 40.00 C ATOM 4130 CE2 TYR K 14 3.190 -25.656 -4.307 1.00 40.00 C ATOM 4131 CZ TYR K 14 1.809 -25.340 -4.643 1.00 40.00 C ATOM 4132 OH TYR K 14 0.776 -26.023 -4.033 1.00 40.00 O ATOM 0 H TYR K 14 3.402 -21.322 -6.426 1.00 28.47 H new ATOM 0 HA TYR K 14 5.632 -22.092 -4.769 1.00 32.43 H new ATOM 0 HB2 TYR K 14 4.849 -22.904 -7.614 1.00 40.00 H new ATOM 0 HB3 TYR K 14 6.008 -23.754 -6.611 1.00 40.00 H new ATOM 0 HD1 TYR K 14 2.387 -22.808 -6.983 1.00 40.00 H new ATOM 0 HD2 TYR K 14 5.302 -25.167 -4.699 1.00 40.00 H new ATOM 0 HE1 TYR K 14 0.494 -24.066 -5.868 1.00 40.00 H new ATOM 0 HE2 TYR K 14 3.407 -26.427 -3.582 1.00 40.00 H new ATOM 0 HH TYR K 14 1.144 -26.683 -3.409 1.00 40.00 H new ATOM 4142 N GLN K 15 6.257 -20.318 -7.453 1.00 24.26 N ATOM 4143 CA GLN K 15 7.351 -19.575 -8.136 1.00 23.26 C ATOM 4144 C GLN K 15 7.987 -18.581 -7.166 1.00 19.92 C ATOM 4145 O GLN K 15 9.171 -18.318 -7.218 1.00 21.32 O ATOM 4146 CB GLN K 15 6.777 -18.821 -9.334 1.00 23.26 C ATOM 4147 CG GLN K 15 6.920 -19.679 -10.589 1.00 29.57 C ATOM 4148 CD GLN K 15 6.234 -18.979 -11.759 1.00 26.85 C ATOM 4149 OE1 GLN K 15 5.022 -18.965 -11.847 1.00 40.00 O ATOM 4150 NE2 GLN K 15 6.961 -18.392 -12.669 1.00 40.00 N ATOM 0 H GLN K 15 5.322 -20.157 -7.827 1.00 24.26 H new ATOM 0 HA GLN K 15 8.110 -20.280 -8.474 1.00 23.26 H new ATOM 0 HB2 GLN K 15 5.727 -18.584 -9.160 1.00 23.26 H new ATOM 0 HB3 GLN K 15 7.300 -17.874 -9.466 1.00 23.26 H new ATOM 0 HG2 GLN K 15 7.974 -19.841 -10.815 1.00 29.57 H new ATOM 0 HG3 GLN K 15 6.474 -20.660 -10.425 1.00 29.57 H new ATOM 0 HE21 GLN K 15 7.978 -18.404 -12.595 1.00 40.00 H new ATOM 0 HE22 GLN K 15 6.512 -17.921 -13.455 1.00 40.00 H new ATOM 4159 N LEU K 16 7.208 -18.020 -6.285 1.00 17.27 N ATOM 4160 CA LEU K 16 7.765 -17.035 -5.317 1.00 15.20 C ATOM 4161 C LEU K 16 8.683 -17.751 -4.325 1.00 18.57 C ATOM 4162 O LEU K 16 9.674 -17.207 -3.879 1.00 20.38 O ATOM 4163 CB LEU K 16 6.617 -16.365 -4.564 1.00 13.64 C ATOM 4164 CG LEU K 16 5.733 -15.608 -5.555 1.00 12.90 C ATOM 4165 CD1 LEU K 16 4.508 -15.053 -4.830 1.00 14.80 C ATOM 4166 CD2 LEU K 16 6.523 -14.451 -6.167 1.00 12.53 C ATOM 0 H LEU K 16 6.208 -18.201 -6.193 1.00 17.27 H new ATOM 0 HA LEU K 16 8.339 -16.280 -5.854 1.00 15.20 H new ATOM 0 HB2 LEU K 16 6.029 -17.114 -4.034 1.00 13.64 H new ATOM 0 HB3 LEU K 16 7.011 -15.679 -3.814 1.00 13.64 H new ATOM 0 HG LEU K 16 5.413 -16.290 -6.343 1.00 12.90 H new ATOM 0 HD11 LEU K 16 3.879 -14.514 -5.538 1.00 14.80 H new ATOM 0 HD12 LEU K 16 3.940 -15.875 -4.393 1.00 14.80 H new ATOM 0 HD13 LEU K 16 4.829 -14.374 -4.040 1.00 14.80 H new ATOM 0 HD21 LEU K 16 5.891 -13.912 -6.873 1.00 12.53 H new ATOM 0 HD22 LEU K 16 6.845 -13.772 -5.377 1.00 12.53 H new ATOM 0 HD23 LEU K 16 7.397 -14.842 -6.687 1.00 12.53 H new ATOM 4178 N GLU K 17 8.363 -18.967 -3.974 1.00 20.85 N ATOM 4179 CA GLU K 17 9.218 -19.716 -3.008 1.00 26.32 C ATOM 4180 C GLU K 17 10.648 -19.818 -3.544 1.00 29.57 C ATOM 4181 O GLU K 17 11.603 -19.783 -2.795 1.00 34.81 O ATOM 4182 CB GLU K 17 8.650 -21.121 -2.815 1.00 31.27 C ATOM 4183 CG GLU K 17 7.653 -21.110 -1.658 1.00 40.00 C ATOM 4184 CD GLU K 17 7.480 -22.531 -1.122 1.00 40.00 C ATOM 4185 OE1 GLU K 17 8.439 -23.057 -0.576 1.00 40.00 O ATOM 4186 OE2 GLU K 17 6.393 -23.070 -1.266 1.00 40.00 O ATOM 0 H GLU K 17 7.546 -19.475 -4.314 1.00 20.85 H new ATOM 0 HA GLU K 17 9.230 -19.187 -2.055 1.00 26.32 H new ATOM 0 HB2 GLU K 17 8.160 -21.456 -3.729 1.00 31.27 H new ATOM 0 HB3 GLU K 17 9.456 -21.826 -2.609 1.00 31.27 H new ATOM 0 HG2 GLU K 17 8.007 -20.451 -0.865 1.00 40.00 H new ATOM 0 HG3 GLU K 17 6.693 -20.717 -1.994 1.00 40.00 H new ATOM 4193 N ASN K 18 10.805 -19.949 -4.832 1.00 30.13 N ATOM 4194 CA ASN K 18 12.177 -20.060 -5.409 1.00 36.65 C ATOM 4195 C ASN K 18 13.034 -18.880 -4.948 1.00 33.01 C ATOM 4196 O ASN K 18 14.229 -18.998 -4.773 1.00 37.90 O ATOM 4197 CB ASN K 18 12.089 -20.053 -6.936 1.00 40.00 C ATOM 4198 CG ASN K 18 11.260 -21.250 -7.403 1.00 38.53 C ATOM 4199 OD1 ASN K 18 10.190 -21.503 -6.884 1.00 40.00 O ATOM 4200 ND2 ASN K 18 11.712 -22.003 -8.369 1.00 40.00 N ATOM 0 H ASN K 18 10.044 -19.984 -5.511 1.00 30.13 H new ATOM 0 HA ASN K 18 12.633 -20.990 -5.070 1.00 36.65 H new ATOM 0 HB2 ASN K 18 11.634 -19.125 -7.281 1.00 40.00 H new ATOM 0 HB3 ASN K 18 13.088 -20.098 -7.369 1.00 40.00 H new ATOM 0 HD21 ASN K 18 11.167 -22.804 -8.689 1.00 40.00 H new ATOM 0 HD22 ASN K 18 12.610 -21.790 -8.804 1.00 40.00 H new ATOM 4207 N TYR K 19 12.433 -17.743 -4.748 1.00 28.47 N ATOM 4208 CA TYR K 19 13.215 -16.557 -4.298 1.00 27.38 C ATOM 4209 C TYR K 19 13.269 -16.504 -2.763 1.00 26.85 C ATOM 4210 O TYR K 19 14.043 -15.758 -2.193 1.00 40.00 O ATOM 4211 CB TYR K 19 12.551 -15.288 -4.829 1.00 27.38 C ATOM 4212 CG TYR K 19 12.364 -15.416 -6.320 1.00 26.85 C ATOM 4213 CD1 TYR K 19 13.423 -14.996 -7.224 1.00 40.00 C ATOM 4214 CD2 TYR K 19 11.127 -15.964 -6.851 1.00 40.00 C ATOM 4215 CE1 TYR K 19 13.244 -15.124 -8.662 1.00 40.00 C ATOM 4216 CE2 TYR K 19 10.948 -16.092 -8.289 1.00 40.00 C ATOM 4217 CZ TYR K 19 12.006 -15.672 -9.195 1.00 30.13 C ATOM 4218 OH TYR K 19 11.834 -15.793 -10.559 1.00 34.81 O ATOM 0 H TYR K 19 11.434 -17.582 -4.876 1.00 28.47 H new ATOM 0 HA TYR K 19 14.232 -16.633 -4.682 1.00 27.38 H new ATOM 0 HB2 TYR K 19 11.588 -15.135 -4.341 1.00 27.38 H new ATOM 0 HB3 TYR K 19 13.166 -14.418 -4.600 1.00 27.38 H new ATOM 0 HD1 TYR K 19 14.342 -14.589 -6.828 1.00 40.00 H new ATOM 0 HD2 TYR K 19 10.341 -16.276 -6.179 1.00 40.00 H new ATOM 0 HE1 TYR K 19 14.030 -14.812 -9.334 1.00 40.00 H new ATOM 0 HE2 TYR K 19 10.029 -16.499 -8.684 1.00 40.00 H new ATOM 0 HH TYR K 19 12.301 -15.061 -11.014 1.00 34.81 H new ATOM 4228 N CYS K 20 12.463 -17.277 -2.084 1.00 22.28 N ATOM 4229 CA CYS K 20 12.490 -17.249 -0.597 1.00 24.76 C ATOM 4230 C CYS K 20 13.908 -17.537 -0.102 1.00 32.43 C ATOM 4231 O CYS K 20 14.704 -18.154 -0.782 1.00 40.00 O ATOM 4232 CB CYS K 20 11.540 -18.316 -0.055 1.00 23.75 C ATOM 4233 SG CYS K 20 11.049 -17.878 1.626 1.00 29.57 S ATOM 0 H CYS K 20 11.790 -17.924 -2.496 1.00 22.28 H new ATOM 0 HA CYS K 20 12.178 -16.265 -0.248 1.00 24.76 H new ATOM 0 HB2 CYS K 20 10.661 -18.395 -0.694 1.00 23.75 H new ATOM 0 HB3 CYS K 20 12.028 -19.291 -0.062 1.00 23.75 H new ATOM 4238 N ASN K 21 14.228 -17.093 1.080 1.00 25.80 N ATOM 4239 CA ASN K 21 15.591 -17.333 1.624 1.00 35.41 C ATOM 4240 C ASN K 21 15.621 -18.679 2.350 1.00 40.00 C ATOM 4241 O ASN K 21 15.867 -19.678 1.694 1.00 40.00 O ATOM 4242 CB ASN K 21 15.946 -16.217 2.608 1.00 40.00 C ATOM 4243 CG ASN K 21 17.347 -16.464 3.166 1.00 40.00 C ATOM 4244 OD1 ASN K 21 17.575 -17.438 3.857 1.00 40.00 O ATOM 4245 ND2 ASN K 21 18.303 -15.617 2.895 1.00 40.00 N ATOM 4246 OXT ASN K 21 15.399 -18.686 3.550 1.00 40.00 O ATOM 0 H ASN K 21 13.602 -16.573 1.694 1.00 25.80 H new ATOM 0 HA ASN K 21 16.313 -17.345 0.807 1.00 35.41 H new ATOM 0 HB2 ASN K 21 15.906 -15.249 2.108 1.00 40.00 H new ATOM 0 HB3 ASN K 21 15.219 -16.187 3.419 1.00 40.00 H new ATOM 0 HD21 ASN K 21 19.242 -15.772 3.263 1.00 40.00 H new ATOM 0 HD22 ASN K 21 18.111 -14.800 2.315 1.00 40.00 H new TER 4253 ASN K 21 ATOM 4254 N PHE L 1 2.537 4.587 -16.179 1.00 40.00 N ATOM 4255 CA PHE L 1 2.666 3.112 -16.006 1.00 40.00 C ATOM 4256 C PHE L 1 3.959 2.796 -15.237 1.00 40.00 C ATOM 4257 O PHE L 1 4.518 1.722 -15.359 1.00 40.00 O ATOM 4258 CB PHE L 1 2.691 2.436 -17.394 1.00 40.00 C ATOM 4259 CG PHE L 1 3.940 2.841 -18.155 1.00 40.00 C ATOM 4260 CD1 PHE L 1 4.086 4.201 -18.649 1.00 40.00 C ATOM 4261 CD2 PHE L 1 5.000 1.869 -18.376 1.00 40.00 C ATOM 4262 CE1 PHE L 1 5.293 4.591 -19.363 1.00 40.00 C ATOM 4263 CE2 PHE L 1 6.205 2.258 -19.091 1.00 40.00 C ATOM 4264 CZ PHE L 1 6.353 3.617 -19.585 1.00 40.00 C ATOM 0 H1 PHE L 1 1.638 4.803 -16.654 1.00 40.00 H new ATOM 0 H2 PHE L 1 2.556 5.049 -15.247 1.00 40.00 H new ATOM 0 H3 PHE L 1 3.327 4.939 -16.756 1.00 40.00 H new ATOM 0 HA PHE L 1 1.817 2.731 -15.439 1.00 40.00 H new ATOM 0 HB2 PHE L 1 2.663 1.352 -17.279 1.00 40.00 H new ATOM 0 HB3 PHE L 1 1.804 2.720 -17.960 1.00 40.00 H new ATOM 0 HD1 PHE L 1 3.299 4.922 -18.486 1.00 40.00 H new ATOM 0 HD2 PHE L 1 4.892 0.859 -18.009 1.00 40.00 H new ATOM 0 HE1 PHE L 1 5.402 5.602 -19.728 1.00 40.00 H new ATOM 0 HE2 PHE L 1 6.991 1.536 -19.255 1.00 40.00 H new ATOM 0 HZ PHE L 1 7.248 3.904 -20.116 1.00 40.00 H new ATOM 4276 N VAL L 2 4.449 3.728 -14.455 1.00 40.00 N ATOM 4277 CA VAL L 2 5.717 3.497 -13.687 1.00 40.00 C ATOM 4278 C VAL L 2 5.673 2.152 -12.960 1.00 31.27 C ATOM 4279 O VAL L 2 5.039 2.008 -11.931 1.00 40.00 O ATOM 4280 CB VAL L 2 5.889 4.608 -12.659 1.00 40.00 C ATOM 4281 CG1 VAL L 2 6.135 5.931 -13.386 1.00 40.00 C ATOM 4282 CG2 VAL L 2 4.617 4.712 -11.807 1.00 40.00 C ATOM 0 H VAL L 2 4.024 4.644 -14.314 1.00 40.00 H new ATOM 0 HA VAL L 2 6.552 3.493 -14.387 1.00 40.00 H new ATOM 0 HB VAL L 2 6.738 4.387 -12.012 1.00 40.00 H new ATOM 0 HG11 VAL L 2 6.259 6.730 -12.655 1.00 40.00 H new ATOM 0 HG12 VAL L 2 7.037 5.851 -13.992 1.00 40.00 H new ATOM 0 HG13 VAL L 2 5.284 6.156 -14.029 1.00 40.00 H new ATOM 0 HG21 VAL L 2 4.737 5.506 -11.070 1.00 40.00 H new ATOM 0 HG22 VAL L 2 3.766 4.938 -12.450 1.00 40.00 H new ATOM 0 HG23 VAL L 2 4.443 3.765 -11.295 1.00 40.00 H new ATOM 4292 N ASN L 3 6.329 1.168 -13.498 1.00 31.85 N ATOM 4293 CA ASN L 3 6.316 -0.170 -12.853 1.00 40.00 C ATOM 4294 C ASN L 3 7.692 -0.445 -12.236 1.00 40.00 C ATOM 4295 O ASN L 3 8.525 0.434 -12.138 1.00 40.00 O ATOM 4296 CB ASN L 3 5.977 -1.227 -13.913 1.00 40.00 C ATOM 4297 CG ASN L 3 4.463 -1.479 -13.920 1.00 40.00 C ATOM 4298 OD1 ASN L 3 4.021 -2.614 -13.905 1.00 40.00 O ATOM 4299 ND2 ASN L 3 3.643 -0.460 -13.947 1.00 40.00 N ATOM 0 H ASN L 3 6.875 1.232 -14.358 1.00 31.85 H new ATOM 0 HA ASN L 3 5.566 -0.206 -12.063 1.00 40.00 H new ATOM 0 HB2 ASN L 3 6.305 -0.889 -14.896 1.00 40.00 H new ATOM 0 HB3 ASN L 3 6.510 -2.154 -13.701 1.00 40.00 H new ATOM 0 HD21 ASN L 3 2.635 -0.617 -13.955 1.00 40.00 H new ATOM 0 HD22 ASN L 3 4.012 0.491 -13.960 1.00 40.00 H new ATOM 4306 N GLN L 4 7.929 -1.657 -11.817 1.00 30.70 N ATOM 4307 CA GLN L 4 9.238 -2.004 -11.200 1.00 22.76 C ATOM 4308 C GLN L 4 9.469 -1.139 -9.950 1.00 20.85 C ATOM 4309 O GLN L 4 9.190 -1.557 -8.845 1.00 21.32 O ATOM 4310 CB GLN L 4 10.365 -1.792 -12.219 1.00 24.26 C ATOM 4311 CG GLN L 4 11.723 -2.079 -11.558 1.00 36.65 C ATOM 4312 CD GLN L 4 12.527 -3.089 -12.387 1.00 40.00 C ATOM 4313 OE1 GLN L 4 12.041 -3.627 -13.363 1.00 40.00 O ATOM 4314 NE2 GLN L 4 13.752 -3.371 -12.034 1.00 40.00 N ATOM 0 H GLN L 4 7.265 -2.429 -11.877 1.00 30.70 H new ATOM 0 HA GLN L 4 9.232 -3.052 -10.902 1.00 22.76 H new ATOM 0 HB2 GLN L 4 10.221 -2.449 -13.077 1.00 24.26 H new ATOM 0 HB3 GLN L 4 10.341 -0.769 -12.594 1.00 24.26 H new ATOM 0 HG2 GLN L 4 12.287 -1.152 -11.458 1.00 36.65 H new ATOM 0 HG3 GLN L 4 11.568 -2.468 -10.552 1.00 36.65 H new ATOM 0 HE21 GLN L 4 14.163 -2.922 -11.216 1.00 40.00 H new ATOM 0 HE22 GLN L 4 14.298 -4.041 -12.576 1.00 40.00 H new ATOM 4323 N HIS L 5 9.987 0.052 -10.109 1.00 24.76 N ATOM 4324 CA HIS L 5 10.239 0.917 -8.916 1.00 26.85 C ATOM 4325 C HIS L 5 8.952 1.089 -8.105 1.00 29.57 C ATOM 4326 O HIS L 5 8.987 1.414 -6.938 1.00 40.00 O ATOM 4327 CB HIS L 5 10.738 2.286 -9.367 1.00 26.32 C ATOM 4328 CG HIS L 5 11.439 2.955 -8.219 1.00 31.27 C ATOM 4329 ND1 HIS L 5 12.710 2.583 -7.813 1.00 31.85 N ATOM 4330 CD2 HIS L 5 11.059 3.971 -7.380 1.00 40.00 C ATOM 4331 CE1 HIS L 5 13.048 3.364 -6.771 1.00 39.17 C ATOM 4332 NE2 HIS L 5 12.076 4.228 -6.465 1.00 40.00 N ATOM 0 H HIS L 5 10.245 0.461 -11.007 1.00 24.76 H new ATOM 0 HA HIS L 5 10.994 0.440 -8.292 1.00 26.85 H new ATOM 0 HB2 HIS L 5 11.418 2.179 -10.212 1.00 26.32 H new ATOM 0 HB3 HIS L 5 9.902 2.898 -9.706 1.00 26.32 H new ATOM 0 HD1 HIS L 5 13.285 1.850 -8.228 1.00 31.85 H new ATOM 0 HD2 HIS L 5 10.114 4.493 -7.423 1.00 40.00 H new ATOM 0 HE1 HIS L 5 13.990 3.300 -6.246 1.00 39.17 H new ATOM 4340 N LEU L 6 7.823 0.882 -8.714 1.00 25.80 N ATOM 4341 CA LEU L 6 6.533 1.030 -7.980 1.00 30.13 C ATOM 4342 C LEU L 6 5.850 -0.341 -7.866 1.00 25.80 C ATOM 4343 O LEU L 6 5.057 -0.583 -6.980 1.00 27.92 O ATOM 4344 CB LEU L 6 5.625 1.984 -8.761 1.00 40.00 C ATOM 4345 CG LEU L 6 5.270 3.186 -7.888 1.00 40.00 C ATOM 4346 CD1 LEU L 6 6.528 4.009 -7.606 1.00 40.00 C ATOM 4347 CD2 LEU L 6 4.244 4.054 -8.620 1.00 40.00 C ATOM 0 H LEU L 6 7.734 0.615 -9.694 1.00 25.80 H new ATOM 0 HA LEU L 6 6.719 1.427 -6.982 1.00 30.13 H new ATOM 0 HB2 LEU L 6 6.127 2.317 -9.669 1.00 40.00 H new ATOM 0 HB3 LEU L 6 4.717 1.466 -9.070 1.00 40.00 H new ATOM 0 HG LEU L 6 4.851 2.839 -6.944 1.00 40.00 H new ATOM 0 HD11 LEU L 6 6.270 4.865 -6.983 1.00 40.00 H new ATOM 0 HD12 LEU L 6 7.259 3.389 -7.087 1.00 40.00 H new ATOM 0 HD13 LEU L 6 6.952 4.359 -8.547 1.00 40.00 H new ATOM 0 HD21 LEU L 6 3.987 4.914 -8.001 1.00 40.00 H new ATOM 0 HD22 LEU L 6 4.667 4.399 -9.563 1.00 40.00 H new ATOM 0 HD23 LEU L 6 3.346 3.468 -8.818 1.00 40.00 H new ATOM 4359 N CYS L 7 6.148 -1.229 -8.772 1.00 26.32 N ATOM 4360 CA CYS L 7 5.534 -2.583 -8.768 1.00 24.76 C ATOM 4361 C CYS L 7 6.228 -3.478 -7.738 1.00 17.70 C ATOM 4362 O CYS L 7 5.592 -4.162 -6.964 1.00 15.20 O ATOM 4363 CB CYS L 7 5.760 -3.161 -10.155 1.00 33.61 C ATOM 4364 SG CYS L 7 4.871 -4.711 -10.381 1.00 23.75 S ATOM 0 H CYS L 7 6.808 -1.067 -9.533 1.00 26.32 H new ATOM 0 HA CYS L 7 4.475 -2.526 -8.515 1.00 24.76 H new ATOM 0 HB2 CYS L 7 5.435 -2.442 -10.907 1.00 33.61 H new ATOM 0 HB3 CYS L 7 6.826 -3.326 -10.312 1.00 33.61 H new ATOM 4369 N GLY L 8 7.530 -3.491 -7.750 1.00 18.57 N ATOM 4370 CA GLY L 8 8.292 -4.353 -6.802 1.00 15.60 C ATOM 4371 C GLY L 8 7.847 -4.109 -5.361 1.00 14.80 C ATOM 4372 O GLY L 8 7.770 -5.025 -4.570 1.00 13.64 O ATOM 0 H GLY L 8 8.106 -2.936 -8.382 1.00 18.57 H new ATOM 0 HA2 GLY L 8 8.144 -5.402 -7.059 1.00 15.60 H new ATOM 0 HA3 GLY L 8 9.359 -4.149 -6.896 1.00 15.60 H new ATOM 4376 N SER L 9 7.573 -2.884 -5.005 1.00 19.47 N ATOM 4377 CA SER L 9 7.156 -2.587 -3.599 1.00 23.75 C ATOM 4378 C SER L 9 6.013 -3.504 -3.166 1.00 22.28 C ATOM 4379 O SER L 9 5.839 -3.771 -1.993 1.00 32.43 O ATOM 4380 CB SER L 9 6.673 -1.142 -3.497 1.00 30.70 C ATOM 4381 OG SER L 9 6.092 -0.755 -4.737 1.00 40.00 O ATOM 0 H SER L 9 7.619 -2.074 -5.624 1.00 19.47 H new ATOM 0 HA SER L 9 8.018 -2.749 -2.952 1.00 23.75 H new ATOM 0 HB2 SER L 9 5.943 -1.046 -2.694 1.00 30.70 H new ATOM 0 HB3 SER L 9 7.506 -0.484 -3.251 1.00 30.70 H new ATOM 0 HG SER L 9 6.775 -0.335 -5.301 1.00 40.00 H new ATOM 4387 N HIS L 10 5.218 -3.965 -4.090 1.00 15.20 N ATOM 4388 CA HIS L 10 4.077 -4.835 -3.703 1.00 15.60 C ATOM 4389 C HIS L 10 4.393 -6.300 -3.995 1.00 10.78 C ATOM 4390 O HIS L 10 3.780 -7.187 -3.436 1.00 10.78 O ATOM 4391 CB HIS L 10 2.835 -4.377 -4.456 1.00 20.85 C ATOM 4392 CG HIS L 10 2.586 -2.941 -4.092 1.00 31.85 C ATOM 4393 ND1 HIS L 10 2.718 -2.482 -2.790 1.00 40.00 N ATOM 4394 CD2 HIS L 10 2.248 -1.843 -4.842 1.00 37.90 C ATOM 4395 CE1 HIS L 10 2.466 -1.162 -2.795 1.00 40.00 C ATOM 4396 NE2 HIS L 10 2.173 -0.720 -4.020 1.00 40.00 N ATOM 0 H HIS L 10 5.309 -3.778 -5.089 1.00 15.20 H new ATOM 0 HA HIS L 10 3.897 -4.752 -2.631 1.00 15.60 H new ATOM 0 HB2 HIS L 10 2.980 -4.480 -5.531 1.00 20.85 H new ATOM 0 HB3 HIS L 10 1.977 -4.994 -4.190 1.00 20.85 H new ATOM 0 HD1 HIS L 10 2.962 -3.045 -1.975 1.00 40.00 H new ATOM 0 HD2 HIS L 10 2.068 -1.848 -5.907 1.00 37.90 H new ATOM 0 HE1 HIS L 10 2.497 -0.536 -1.916 1.00 40.00 H new ATOM 4404 N LEU L 11 5.364 -6.571 -4.830 1.00 9.47 N ATOM 4405 CA LEU L 11 5.723 -7.991 -5.091 1.00 7.67 C ATOM 4406 C LEU L 11 6.352 -8.531 -3.813 1.00 6.32 C ATOM 4407 O LEU L 11 6.153 -9.664 -3.429 1.00 6.32 O ATOM 4408 CB LEU L 11 6.746 -8.092 -6.225 1.00 8.55 C ATOM 4409 CG LEU L 11 6.264 -7.312 -7.443 1.00 7.96 C ATOM 4410 CD1 LEU L 11 7.310 -7.414 -8.551 1.00 10.78 C ATOM 4411 CD2 LEU L 11 4.945 -7.901 -7.940 1.00 8.85 C ATOM 0 H LEU L 11 5.916 -5.878 -5.335 1.00 9.47 H new ATOM 0 HA LEU L 11 4.836 -8.555 -5.380 1.00 7.67 H new ATOM 0 HB2 LEU L 11 7.708 -7.702 -5.892 1.00 8.55 H new ATOM 0 HB3 LEU L 11 6.901 -9.137 -6.492 1.00 8.55 H new ATOM 0 HG LEU L 11 6.115 -6.267 -7.170 1.00 7.96 H new ATOM 0 HD11 LEU L 11 6.970 -6.858 -9.425 1.00 10.78 H new ATOM 0 HD12 LEU L 11 8.254 -6.997 -8.200 1.00 10.78 H new ATOM 0 HD13 LEU L 11 7.454 -8.460 -8.820 1.00 10.78 H new ATOM 0 HD21 LEU L 11 4.602 -7.342 -8.811 1.00 8.85 H new ATOM 0 HD22 LEU L 11 5.093 -8.945 -8.215 1.00 8.85 H new ATOM 0 HD23 LEU L 11 4.197 -7.836 -7.150 1.00 8.85 H new ATOM 4423 N VAL L 12 7.115 -7.704 -3.156 1.00 7.67 N ATOM 4424 CA VAL L 12 7.779 -8.127 -1.896 1.00 9.16 C ATOM 4425 C VAL L 12 6.727 -8.395 -0.821 1.00 9.47 C ATOM 4426 O VAL L 12 6.879 -9.273 0.001 1.00 10.12 O ATOM 4427 CB VAL L 12 8.727 -7.028 -1.417 1.00 16.01 C ATOM 4428 CG1 VAL L 12 9.799 -6.786 -2.479 1.00 24.76 C ATOM 4429 CG2 VAL L 12 7.944 -5.736 -1.178 1.00 32.43 C ATOM 0 H VAL L 12 7.308 -6.744 -3.442 1.00 7.67 H new ATOM 0 HA VAL L 12 8.346 -9.039 -2.082 1.00 9.16 H new ATOM 0 HB VAL L 12 9.198 -7.339 -0.485 1.00 16.01 H new ATOM 0 HG11 VAL L 12 10.477 -6.002 -2.140 1.00 24.76 H new ATOM 0 HG12 VAL L 12 10.361 -7.705 -2.645 1.00 24.76 H new ATOM 0 HG13 VAL L 12 9.325 -6.478 -3.411 1.00 24.76 H new ATOM 0 HG21 VAL L 12 8.625 -4.956 -0.837 1.00 32.43 H new ATOM 0 HG22 VAL L 12 7.468 -5.422 -2.107 1.00 32.43 H new ATOM 0 HG23 VAL L 12 7.180 -5.908 -0.420 1.00 32.43 H new ATOM 4439 N GLU L 13 5.659 -7.650 -0.820 1.00 11.12 N ATOM 4440 CA GLU L 13 4.602 -7.872 0.206 1.00 14.03 C ATOM 4441 C GLU L 13 4.116 -9.317 0.123 1.00 13.27 C ATOM 4442 O GLU L 13 3.925 -9.976 1.120 1.00 17.70 O ATOM 4443 CB GLU L 13 3.427 -6.928 -0.052 1.00 19.47 C ATOM 4444 CG GLU L 13 3.869 -5.484 0.181 1.00 40.00 C ATOM 4445 CD GLU L 13 2.641 -4.607 0.428 1.00 40.00 C ATOM 4446 OE1 GLU L 13 2.025 -4.764 1.470 1.00 40.00 O ATOM 4447 OE2 GLU L 13 2.336 -3.795 -0.431 1.00 40.00 O ATOM 0 H GLU L 13 5.471 -6.898 -1.483 1.00 11.12 H new ATOM 0 HA GLU L 13 5.012 -7.676 1.197 1.00 14.03 H new ATOM 0 HB2 GLU L 13 3.068 -7.049 -1.074 1.00 19.47 H new ATOM 0 HB3 GLU L 13 2.596 -7.176 0.609 1.00 19.47 H new ATOM 0 HG2 GLU L 13 4.543 -5.433 1.036 1.00 40.00 H new ATOM 0 HG3 GLU L 13 4.422 -5.118 -0.684 1.00 40.00 H new ATOM 4454 N ALA L 14 3.921 -9.814 -1.063 1.00 10.78 N ATOM 4455 CA ALA L 14 3.454 -11.215 -1.210 1.00 11.81 C ATOM 4456 C ALA L 14 4.635 -12.163 -1.010 1.00 9.47 C ATOM 4457 O ALA L 14 4.475 -13.282 -0.570 1.00 11.12 O ATOM 4458 CB ALA L 14 2.881 -11.409 -2.611 1.00 12.90 C ATOM 0 H ALA L 14 4.065 -9.309 -1.938 1.00 10.78 H new ATOM 0 HA ALA L 14 2.685 -11.427 -0.467 1.00 11.81 H new ATOM 0 HB1 ALA L 14 2.536 -12.437 -2.724 1.00 12.90 H new ATOM 0 HB2 ALA L 14 2.044 -10.727 -2.759 1.00 12.90 H new ATOM 0 HB3 ALA L 14 3.653 -11.202 -3.352 1.00 12.90 H new ATOM 4464 N LEU L 15 5.817 -11.725 -1.335 1.00 8.25 N ATOM 4465 CA LEU L 15 7.008 -12.601 -1.171 1.00 9.79 C ATOM 4466 C LEU L 15 7.141 -13.044 0.283 1.00 11.46 C ATOM 4467 O LEU L 15 7.047 -14.217 0.586 1.00 14.03 O ATOM 4468 CB LEU L 15 8.271 -11.842 -1.563 1.00 10.12 C ATOM 4469 CG LEU L 15 8.525 -11.989 -3.062 1.00 9.79 C ATOM 4470 CD1 LEU L 15 9.688 -11.086 -3.472 1.00 11.12 C ATOM 4471 CD2 LEU L 15 8.879 -13.439 -3.375 1.00 15.60 C ATOM 0 H LEU L 15 6.010 -10.796 -1.708 1.00 8.25 H new ATOM 0 HA LEU L 15 6.882 -13.473 -1.812 1.00 9.79 H new ATOM 0 HB2 LEU L 15 8.167 -10.788 -1.305 1.00 10.12 H new ATOM 0 HB3 LEU L 15 9.124 -12.224 -1.002 1.00 10.12 H new ATOM 0 HG LEU L 15 7.629 -11.703 -3.613 1.00 9.79 H new ATOM 0 HD11 LEU L 15 9.870 -11.190 -4.542 1.00 11.12 H new ATOM 0 HD12 LEU L 15 9.441 -10.049 -3.245 1.00 11.12 H new ATOM 0 HD13 LEU L 15 10.584 -11.374 -2.922 1.00 11.12 H new ATOM 0 HD21 LEU L 15 9.061 -13.546 -4.444 1.00 15.60 H new ATOM 0 HD22 LEU L 15 9.776 -13.722 -2.824 1.00 15.60 H new ATOM 0 HD23 LEU L 15 8.053 -14.087 -3.080 1.00 15.60 H new ATOM 4483 N TYR L 16 7.391 -12.127 1.188 1.00 16.01 N ATOM 4484 CA TYR L 16 7.556 -12.540 2.609 1.00 25.80 C ATOM 4485 C TYR L 16 6.224 -13.031 3.189 1.00 19.92 C ATOM 4486 O TYR L 16 6.199 -13.652 4.235 1.00 21.79 O ATOM 4487 CB TYR L 16 8.185 -11.407 3.444 1.00 40.00 C ATOM 4488 CG TYR L 16 7.187 -10.359 3.876 1.00 18.57 C ATOM 4489 CD1 TYR L 16 6.096 -9.959 3.004 1.00 40.00 C ATOM 4490 CD2 TYR L 16 7.348 -9.728 5.178 1.00 40.00 C ATOM 4491 CE1 TYR L 16 5.164 -8.925 3.434 1.00 40.00 C ATOM 4492 CE2 TYR L 16 6.418 -8.702 5.608 1.00 40.00 C ATOM 4493 CZ TYR L 16 5.326 -8.297 4.740 1.00 40.00 C ATOM 4494 OH TYR L 16 4.449 -7.319 5.150 1.00 40.00 O ATOM 0 H TYR L 16 7.486 -11.128 1.004 1.00 16.01 H new ATOM 0 HA TYR L 16 8.249 -13.380 2.651 1.00 25.80 H new ATOM 0 HB2 TYR L 16 8.657 -11.836 4.328 1.00 40.00 H new ATOM 0 HB3 TYR L 16 8.973 -10.930 2.861 1.00 40.00 H new ATOM 0 HD1 TYR L 16 5.976 -10.427 2.038 1.00 40.00 H new ATOM 0 HD2 TYR L 16 8.161 -10.024 5.824 1.00 40.00 H new ATOM 0 HE1 TYR L 16 4.354 -8.624 2.786 1.00 40.00 H new ATOM 0 HE2 TYR L 16 6.537 -8.238 6.576 1.00 40.00 H new ATOM 0 HH TYR L 16 3.715 -7.728 5.654 1.00 40.00 H new ATOM 4504 N LEU L 17 5.128 -12.824 2.502 1.00 17.27 N ATOM 4505 CA LEU L 17 3.837 -13.357 3.012 1.00 15.60 C ATOM 4506 C LEU L 17 3.860 -14.864 2.771 1.00 11.81 C ATOM 4507 O LEU L 17 3.453 -15.651 3.599 1.00 12.17 O ATOM 4508 CB LEU L 17 2.673 -12.734 2.244 1.00 20.85 C ATOM 4509 CG LEU L 17 1.420 -12.756 3.114 1.00 19.92 C ATOM 4510 CD1 LEU L 17 1.315 -11.437 3.882 1.00 40.00 C ATOM 4511 CD2 LEU L 17 0.188 -12.924 2.227 1.00 40.00 C ATOM 0 H LEU L 17 5.075 -12.314 1.620 1.00 17.27 H new ATOM 0 HA LEU L 17 3.709 -13.124 4.069 1.00 15.60 H new ATOM 0 HB2 LEU L 17 2.916 -11.709 1.963 1.00 20.85 H new ATOM 0 HB3 LEU L 17 2.497 -13.285 1.320 1.00 20.85 H new ATOM 0 HG LEU L 17 1.478 -13.587 3.817 1.00 19.92 H new ATOM 0 HD11 LEU L 17 0.421 -11.449 4.505 1.00 40.00 H new ATOM 0 HD12 LEU L 17 2.195 -11.312 4.513 1.00 40.00 H new ATOM 0 HD13 LEU L 17 1.254 -10.609 3.176 1.00 40.00 H new ATOM 0 HD21 LEU L 17 -0.708 -12.940 2.848 1.00 40.00 H new ATOM 0 HD22 LEU L 17 0.129 -12.092 1.525 1.00 40.00 H new ATOM 0 HD23 LEU L 17 0.263 -13.860 1.674 1.00 40.00 H new ATOM 4523 N VAL L 18 4.367 -15.260 1.634 1.00 10.78 N ATOM 4524 CA VAL L 18 4.461 -16.706 1.309 1.00 11.12 C ATOM 4525 C VAL L 18 5.573 -17.325 2.148 1.00 11.81 C ATOM 4526 O VAL L 18 5.491 -18.460 2.567 1.00 15.20 O ATOM 4527 CB VAL L 18 4.798 -16.868 -0.173 1.00 12.17 C ATOM 4528 CG1 VAL L 18 4.910 -18.352 -0.515 1.00 14.80 C ATOM 4529 CG2 VAL L 18 3.695 -16.231 -1.018 1.00 13.64 C ATOM 0 H VAL L 18 4.723 -14.634 0.912 1.00 10.78 H new ATOM 0 HA VAL L 18 3.513 -17.200 1.523 1.00 11.12 H new ATOM 0 HB VAL L 18 5.748 -16.377 -0.384 1.00 12.17 H new ATOM 0 HG11 VAL L 18 5.150 -18.465 -1.572 1.00 14.80 H new ATOM 0 HG12 VAL L 18 5.698 -18.806 0.087 1.00 14.80 H new ATOM 0 HG13 VAL L 18 3.962 -18.847 -0.304 1.00 14.80 H new ATOM 0 HG21 VAL L 18 3.934 -16.346 -2.075 1.00 13.64 H new ATOM 0 HG22 VAL L 18 2.745 -16.721 -0.806 1.00 13.64 H new ATOM 0 HG23 VAL L 18 3.618 -15.171 -0.777 1.00 13.64 H new ATOM 4539 N CYS L 19 6.613 -16.580 2.397 1.00 11.12 N ATOM 4540 CA CYS L 19 7.737 -17.113 3.213 1.00 15.20 C ATOM 4541 C CYS L 19 7.332 -17.109 4.685 1.00 22.76 C ATOM 4542 O CYS L 19 7.800 -17.905 5.473 1.00 40.00 O ATOM 4543 CB CYS L 19 8.965 -16.227 3.030 1.00 14.41 C ATOM 4544 SG CYS L 19 9.635 -16.463 1.371 1.00 24.26 S ATOM 0 H CYS L 19 6.733 -15.622 2.069 1.00 11.12 H new ATOM 0 HA CYS L 19 7.970 -18.129 2.894 1.00 15.20 H new ATOM 0 HB2 CYS L 19 8.698 -15.181 3.180 1.00 14.41 H new ATOM 0 HB3 CYS L 19 9.719 -16.474 3.777 1.00 14.41 H new ATOM 4549 N GLY L 20 6.463 -16.214 5.061 1.00 20.38 N ATOM 4550 CA GLY L 20 6.024 -16.152 6.481 1.00 29.57 C ATOM 4551 C GLY L 20 7.127 -15.526 7.333 1.00 31.27 C ATOM 4552 O GLY L 20 7.375 -14.339 7.271 1.00 40.00 O ATOM 0 H GLY L 20 6.037 -15.522 4.445 1.00 20.38 H new ATOM 0 HA2 GLY L 20 5.109 -15.565 6.564 1.00 29.57 H new ATOM 0 HA3 GLY L 20 5.794 -17.153 6.845 1.00 29.57 H new ATOM 4556 N GLU L 21 7.791 -16.314 8.130 1.00 33.61 N ATOM 4557 CA GLU L 21 8.875 -15.761 8.985 1.00 40.00 C ATOM 4558 C GLU L 21 10.197 -15.780 8.218 1.00 34.20 C ATOM 4559 O GLU L 21 11.114 -15.050 8.531 1.00 40.00 O ATOM 4560 CB GLU L 21 9.012 -16.611 10.249 1.00 40.00 C ATOM 4561 CG GLU L 21 7.860 -16.296 11.204 1.00 40.00 C ATOM 4562 CD GLU L 21 7.525 -17.544 12.025 1.00 40.00 C ATOM 4563 OE1 GLU L 21 6.889 -18.435 11.482 1.00 40.00 O ATOM 4564 OE2 GLU L 21 7.913 -17.589 13.183 1.00 40.00 O ATOM 0 H GLU L 21 7.630 -17.317 8.226 1.00 33.61 H new ATOM 0 HA GLU L 21 8.629 -14.735 9.258 1.00 40.00 H new ATOM 0 HB2 GLU L 21 9.005 -17.670 9.990 1.00 40.00 H new ATOM 0 HB3 GLU L 21 9.967 -16.408 10.735 1.00 40.00 H new ATOM 0 HG2 GLU L 21 8.136 -15.475 11.866 1.00 40.00 H new ATOM 0 HG3 GLU L 21 6.985 -15.972 10.641 1.00 40.00 H new ATOM 4571 N ARG L 22 10.309 -16.613 7.221 1.00 26.32 N ATOM 4572 CA ARG L 22 11.578 -16.674 6.447 1.00 24.76 C ATOM 4573 C ARG L 22 11.847 -15.323 5.783 1.00 29.57 C ATOM 4574 O ARG L 22 11.027 -14.427 5.810 1.00 40.00 O ATOM 4575 CB ARG L 22 11.464 -17.755 5.376 1.00 24.26 C ATOM 4576 CG ARG L 22 12.107 -19.041 5.890 1.00 36.65 C ATOM 4577 CD ARG L 22 12.309 -20.009 4.726 1.00 40.00 C ATOM 4578 NE ARG L 22 10.982 -20.487 4.252 1.00 40.00 N ATOM 4579 CZ ARG L 22 10.910 -21.480 3.407 1.00 40.00 C ATOM 4580 NH1 ARG L 22 11.880 -21.690 2.556 1.00 40.00 N ATOM 4581 NH2 ARG L 22 9.866 -22.265 3.412 1.00 40.00 N ATOM 0 H ARG L 22 9.578 -17.253 6.910 1.00 26.32 H new ATOM 0 HA ARG L 22 12.401 -16.911 7.121 1.00 24.76 H new ATOM 0 HB2 ARG L 22 10.417 -17.931 5.130 1.00 24.26 H new ATOM 0 HB3 ARG L 22 11.956 -17.429 4.460 1.00 24.26 H new ATOM 0 HG2 ARG L 22 13.064 -18.818 6.362 1.00 36.65 H new ATOM 0 HG3 ARG L 22 11.474 -19.498 6.651 1.00 36.65 H new ATOM 0 HD2 ARG L 22 12.842 -19.514 3.914 1.00 40.00 H new ATOM 0 HD3 ARG L 22 12.922 -20.853 5.042 1.00 40.00 H new ATOM 0 HE ARG L 22 10.129 -20.039 4.587 1.00 40.00 H new ATOM 0 HH11 ARG L 22 12.696 -21.077 2.551 1.00 40.00 H new ATOM 0 HH12 ARG L 22 11.821 -22.466 1.897 1.00 40.00 H new ATOM 0 HH21 ARG L 22 9.108 -22.102 4.075 1.00 40.00 H new ATOM 0 HH22 ARG L 22 9.808 -23.041 2.753 1.00 40.00 H new ATOM 4595 N GLY L 23 12.997 -15.173 5.185 1.00 24.26 N ATOM 4596 CA GLY L 23 13.330 -13.885 4.514 1.00 23.26 C ATOM 4597 C GLY L 23 13.536 -14.129 3.022 1.00 23.26 C ATOM 4598 O GLY L 23 13.338 -15.221 2.532 1.00 28.47 O ATOM 0 H GLY L 23 13.722 -15.889 5.132 1.00 24.26 H new ATOM 0 HA2 GLY L 23 12.527 -13.164 4.668 1.00 23.26 H new ATOM 0 HA3 GLY L 23 14.232 -13.457 4.952 1.00 23.26 H new ATOM 4602 N PHE L 24 13.931 -13.123 2.293 1.00 20.85 N ATOM 4603 CA PHE L 24 14.145 -13.310 0.833 1.00 21.32 C ATOM 4604 C PHE L 24 15.052 -12.201 0.295 1.00 17.27 C ATOM 4605 O PHE L 24 15.180 -11.149 0.886 1.00 19.92 O ATOM 4606 CB PHE L 24 12.791 -13.269 0.111 1.00 23.75 C ATOM 4607 CG PHE L 24 12.145 -11.914 0.296 1.00 22.28 C ATOM 4608 CD1 PHE L 24 11.620 -11.527 1.593 1.00 40.00 C ATOM 4609 CD2 PHE L 24 12.058 -10.996 -0.829 1.00 40.00 C ATOM 4610 CE1 PHE L 24 11.006 -10.218 1.767 1.00 40.00 C ATOM 4611 CE2 PHE L 24 11.444 -9.688 -0.654 1.00 40.00 C ATOM 4612 CZ PHE L 24 10.918 -9.300 0.645 1.00 21.79 C ATOM 0 H PHE L 24 14.114 -12.183 2.644 1.00 20.85 H new ATOM 0 HA PHE L 24 14.621 -14.275 0.657 1.00 21.32 H new ATOM 0 HB2 PHE L 24 12.930 -13.473 -0.951 1.00 23.75 H new ATOM 0 HB3 PHE L 24 12.138 -14.049 0.502 1.00 23.75 H new ATOM 0 HD1 PHE L 24 11.685 -12.209 2.428 1.00 40.00 H new ATOM 0 HD2 PHE L 24 12.449 -11.285 -1.794 1.00 40.00 H new ATOM 0 HE1 PHE L 24 10.616 -9.929 2.732 1.00 40.00 H new ATOM 0 HE2 PHE L 24 11.379 -9.006 -1.489 1.00 40.00 H new ATOM 0 HZ PHE L 24 10.462 -8.330 0.775 1.00 21.79 H new ATOM 4622 N PHE L 25 15.662 -12.421 -0.829 1.00 14.41 N ATOM 4623 CA PHE L 25 16.539 -11.373 -1.416 1.00 12.53 C ATOM 4624 C PHE L 25 15.814 -10.742 -2.601 1.00 10.45 C ATOM 4625 O PHE L 25 15.402 -11.418 -3.519 1.00 12.90 O ATOM 4626 CB PHE L 25 17.876 -11.974 -1.880 1.00 15.20 C ATOM 4627 CG PHE L 25 17.650 -13.307 -2.551 1.00 33.61 C ATOM 4628 CD1 PHE L 25 17.661 -14.524 -1.759 1.00 40.00 C ATOM 4629 CD2 PHE L 25 17.415 -13.373 -3.985 1.00 40.00 C ATOM 4630 CE1 PHE L 25 17.438 -15.811 -2.399 1.00 40.00 C ATOM 4631 CE2 PHE L 25 17.193 -14.659 -4.626 1.00 40.00 C ATOM 4632 CZ PHE L 25 17.205 -15.880 -3.833 1.00 40.00 C ATOM 0 H PHE L 25 15.593 -13.283 -1.370 1.00 14.41 H new ATOM 0 HA PHE L 25 16.755 -10.619 -0.660 1.00 12.53 H new ATOM 0 HB2 PHE L 25 18.368 -11.291 -2.572 1.00 15.20 H new ATOM 0 HB3 PHE L 25 18.542 -12.098 -1.026 1.00 15.20 H new ATOM 0 HD1 PHE L 25 17.835 -14.474 -0.694 1.00 40.00 H new ATOM 0 HD2 PHE L 25 17.405 -12.467 -4.573 1.00 40.00 H new ATOM 0 HE1 PHE L 25 17.445 -16.716 -1.809 1.00 40.00 H new ATOM 0 HE2 PHE L 25 17.019 -14.709 -5.691 1.00 40.00 H new ATOM 0 HZ PHE L 25 17.041 -16.836 -4.309 1.00 40.00 H new ATOM 4642 N TYR L 26 15.640 -9.450 -2.583 1.00 10.78 N ATOM 4643 CA TYR L 26 14.926 -8.777 -3.701 1.00 10.78 C ATOM 4644 C TYR L 26 15.898 -7.887 -4.476 1.00 10.12 C ATOM 4645 O TYR L 26 16.422 -6.926 -3.955 1.00 11.12 O ATOM 4646 CB TYR L 26 13.799 -7.920 -3.130 1.00 11.46 C ATOM 4647 CG TYR L 26 12.941 -7.395 -4.252 1.00 14.41 C ATOM 4648 CD1 TYR L 26 11.884 -8.223 -4.809 1.00 40.00 C ATOM 4649 CD2 TYR L 26 13.171 -6.057 -4.777 1.00 40.00 C ATOM 4650 CE1 TYR L 26 11.057 -7.716 -5.891 1.00 40.00 C ATOM 4651 CE2 TYR L 26 12.341 -5.549 -5.859 1.00 40.00 C ATOM 4652 CZ TYR L 26 11.285 -6.379 -6.417 1.00 28.47 C ATOM 4653 OH TYR L 26 10.502 -5.900 -7.446 1.00 39.82 O ATOM 0 H TYR L 26 15.963 -8.830 -1.840 1.00 10.78 H new ATOM 0 HA TYR L 26 14.515 -9.529 -4.374 1.00 10.78 H new ATOM 0 HB2 TYR L 26 13.194 -8.510 -2.442 1.00 11.46 H new ATOM 0 HB3 TYR L 26 14.214 -7.090 -2.558 1.00 11.46 H new ATOM 0 HD1 TYR L 26 11.713 -9.215 -4.419 1.00 40.00 H new ATOM 0 HD2 TYR L 26 13.957 -5.442 -4.364 1.00 40.00 H new ATOM 0 HE1 TYR L 26 10.273 -8.332 -6.305 1.00 40.00 H new ATOM 0 HE2 TYR L 26 12.509 -4.556 -6.248 1.00 40.00 H new ATOM 0 HH TYR L 26 10.909 -5.090 -7.817 1.00 39.82 H new ATOM 4663 N THR L 27 16.132 -8.194 -5.722 1.00 14.41 N ATOM 4664 CA THR L 27 17.057 -7.359 -6.537 1.00 16.43 C ATOM 4665 C THR L 27 16.322 -6.880 -7.805 1.00 25.28 C ATOM 4666 O THR L 27 16.251 -7.618 -8.766 1.00 35.41 O ATOM 4667 CB THR L 27 18.283 -8.183 -6.937 1.00 23.26 C ATOM 4668 OG1 THR L 27 17.876 -9.506 -7.251 1.00 40.00 O ATOM 4669 CG2 THR L 27 19.283 -8.212 -5.782 1.00 25.28 C ATOM 0 H THR L 27 15.721 -8.989 -6.211 1.00 14.41 H new ATOM 0 HA THR L 27 17.381 -6.498 -5.952 1.00 16.43 H new ATOM 0 HB THR L 27 18.757 -7.731 -7.808 1.00 23.26 H new ATOM 0 HG1 THR L 27 17.154 -9.478 -7.914 1.00 40.00 H new ATOM 0 HG21 THR L 27 20.155 -8.800 -6.070 1.00 25.28 H new ATOM 0 HG22 THR L 27 19.594 -7.195 -5.544 1.00 25.28 H new ATOM 0 HG23 THR L 27 18.815 -8.663 -4.907 1.00 25.28 H new ATOM 4677 N PRO L 28 15.783 -5.663 -7.792 1.00 30.13 N ATOM 4678 CA PRO L 28 15.059 -5.130 -8.958 1.00 40.00 C ATOM 4679 C PRO L 28 16.055 -4.621 -9.998 1.00 40.00 C ATOM 4680 O PRO L 28 16.064 -3.457 -10.348 1.00 40.00 O ATOM 4681 CB PRO L 28 14.237 -3.974 -8.385 1.00 40.00 C ATOM 4682 CG PRO L 28 14.944 -3.536 -7.081 1.00 40.00 C ATOM 4683 CD PRO L 28 15.839 -4.710 -6.648 1.00 30.13 C ATOM 0 HA PRO L 28 14.438 -5.875 -9.455 1.00 40.00 H new ATOM 0 HB2 PRO L 28 14.184 -3.148 -9.094 1.00 40.00 H new ATOM 0 HB3 PRO L 28 13.213 -4.288 -8.184 1.00 40.00 H new ATOM 0 HG2 PRO L 28 15.538 -2.637 -7.246 1.00 40.00 H new ATOM 0 HG3 PRO L 28 14.215 -3.299 -6.306 1.00 40.00 H new ATOM 0 HD2 PRO L 28 16.860 -4.381 -6.455 1.00 30.13 H new ATOM 0 HD3 PRO L 28 15.474 -5.170 -5.730 1.00 30.13 H new ATOM 4691 N LYS L 29 16.897 -5.483 -10.489 1.00 40.00 N ATOM 4692 CA LYS L 29 17.897 -5.051 -11.499 1.00 40.00 C ATOM 4693 C LYS L 29 18.280 -6.245 -12.372 1.00 40.00 C ATOM 4694 O LYS L 29 18.995 -7.134 -11.948 1.00 40.00 O ATOM 4695 CB LYS L 29 19.141 -4.519 -10.788 1.00 40.00 C ATOM 4696 CG LYS L 29 20.121 -3.964 -11.823 1.00 40.00 C ATOM 4697 CD LYS L 29 21.499 -3.791 -11.177 1.00 40.00 C ATOM 4698 CE LYS L 29 22.583 -4.235 -12.163 1.00 40.00 C ATOM 4699 NZ LYS L 29 23.505 -5.195 -11.489 1.00 40.00 N ATOM 0 H LYS L 29 16.936 -6.470 -10.234 1.00 40.00 H new ATOM 0 HA LYS L 29 17.472 -4.264 -12.122 1.00 40.00 H new ATOM 0 HB2 LYS L 29 18.863 -3.739 -10.080 1.00 40.00 H new ATOM 0 HB3 LYS L 29 19.614 -5.316 -10.214 1.00 40.00 H new ATOM 0 HG2 LYS L 29 20.189 -4.640 -12.675 1.00 40.00 H new ATOM 0 HG3 LYS L 29 19.763 -3.007 -12.203 1.00 40.00 H new ATOM 0 HD2 LYS L 29 21.653 -2.749 -10.896 1.00 40.00 H new ATOM 0 HD3 LYS L 29 21.561 -4.381 -10.262 1.00 40.00 H new ATOM 0 HE2 LYS L 29 22.127 -4.704 -13.035 1.00 40.00 H new ATOM 0 HE3 LYS L 29 23.140 -3.370 -12.521 1.00 40.00 H new ATOM 0 HZ1 LYS L 29 24.242 -5.497 -12.158 1.00 40.00 H new ATOM 0 HZ2 LYS L 29 23.950 -4.733 -10.670 1.00 40.00 H new ATOM 0 HZ3 LYS L 29 22.967 -6.025 -11.168 1.00 40.00 H new ATOM 4713 N THR L 30 17.811 -6.271 -13.589 1.00 40.00 N ATOM 4714 CA THR L 30 18.147 -7.406 -14.496 1.00 40.00 C ATOM 4715 C THR L 30 19.669 -7.539 -14.598 1.00 40.00 C ATOM 4716 O THR L 30 20.287 -6.646 -15.161 1.00 40.00 O ATOM 4717 CB THR L 30 17.564 -7.144 -15.893 1.00 40.00 C ATOM 4718 OG1 THR L 30 16.743 -5.979 -15.865 1.00 40.00 O ATOM 4719 CG2 THR L 30 16.729 -8.351 -16.330 1.00 40.00 C ATOM 4720 OXT THR L 30 20.192 -8.530 -14.112 1.00 40.00 O ATOM 0 H THR L 30 17.209 -5.555 -13.995 1.00 40.00 H new ATOM 0 HA THR L 30 17.723 -8.327 -14.095 1.00 40.00 H new ATOM 0 HB THR L 30 18.379 -6.989 -16.600 1.00 40.00 H new ATOM 0 HG1 THR L 30 16.376 -5.816 -16.759 1.00 40.00 H new ATOM 0 HG21 THR L 30 16.314 -8.167 -17.321 1.00 40.00 H new ATOM 0 HG22 THR L 30 17.361 -9.239 -16.360 1.00 40.00 H new ATOM 0 HG23 THR L 30 15.917 -8.508 -15.620 1.00 40.00 H new TER 4728 THR L 30 HETATM 4729 C1 IPH A 22 -9.001 8.776 7.379 1.00 17.27 C HETATM 4730 C2 IPH A 22 -7.754 8.213 7.870 1.00 40.00 C HETATM 4731 C3 IPH A 22 -7.109 7.129 7.145 1.00 37.90 C HETATM 4732 C4 IPH A 22 -7.711 6.608 5.930 1.00 9.79 C HETATM 4733 C5 IPH A 22 -8.960 7.171 5.438 1.00 40.00 C HETATM 4734 C6 IPH A 22 -9.604 8.254 6.163 1.00 40.00 C HETATM 4735 O1 IPH A 22 -9.613 9.802 8.066 1.00 27.38 O HETATM 0 HO1 IPH A 22 -10.557 9.850 7.809 1.00 27.38 H new HETATM 0 H6 IPH A 22 -10.540 8.675 5.795 1.00 40.00 H new HETATM 0 H5 IPH A 22 -9.412 6.781 4.526 1.00 40.00 H new HETATM 0 H4 IPH A 22 -7.228 5.796 5.387 1.00 9.79 H new HETATM 0 H3 IPH A 22 -6.174 6.708 7.514 1.00 37.90 H new HETATM 0 H2 IPH A 22 -7.302 8.603 8.782 1.00 40.00 H new HETATM 4742 C1 IPH C 22 8.997 8.766 -7.364 1.00 17.27 C HETATM 4743 C2 IPH C 22 7.751 8.204 -7.858 1.00 40.00 C HETATM 4744 C3 IPH C 22 7.103 7.122 -7.133 1.00 37.90 C HETATM 4745 C4 IPH C 22 7.702 6.602 -5.916 1.00 9.79 C HETATM 4746 C5 IPH C 22 8.949 7.163 -5.421 1.00 40.00 C HETATM 4747 C6 IPH C 22 9.597 8.246 -6.147 1.00 40.00 C HETATM 4748 O1 IPH C 22 9.611 9.792 -8.050 1.00 27.38 O HETATM 0 HO1 IPH C 22 10.555 9.840 -7.791 1.00 27.38 H new HETATM 0 H6 IPH C 22 10.532 8.667 -5.778 1.00 40.00 H new HETATM 0 H5 IPH C 22 9.398 6.773 -4.508 1.00 40.00 H new HETATM 0 H4 IPH C 22 7.216 5.791 -5.374 1.00 9.79 H new HETATM 0 H3 IPH C 22 6.168 6.701 -7.503 1.00 37.90 H new HETATM 0 H2 IPH C 22 7.302 8.593 -8.772 1.00 40.00 H new HETATM 4755 C1 IPH E 22 -3.084 -12.189 7.354 1.00 17.27 C HETATM 4756 C2 IPH E 22 -3.217 -10.828 7.848 1.00 40.00 C HETATM 4757 C3 IPH E 22 -2.603 -9.727 7.122 1.00 37.27 C HETATM 4758 C4 IPH E 22 -1.857 -9.987 5.903 1.00 9.79 C HETATM 4759 C5 IPH E 22 -1.723 -11.348 5.408 1.00 40.00 C HETATM 4760 C6 IPH E 22 -2.336 -12.449 6.134 1.00 40.00 C HETATM 4761 O1 IPH E 22 -3.665 -13.234 8.041 1.00 27.38 O HETATM 0 HO1 IPH E 22 -3.021 -13.967 8.127 1.00 27.38 H new HETATM 0 H6 IPH E 22 -2.235 -13.469 5.764 1.00 40.00 H new HETATM 0 H5 IPH E 22 -1.163 -11.543 4.493 1.00 40.00 H new HETATM 0 H4 IPH E 22 -1.397 -9.162 5.359 1.00 9.79 H new HETATM 0 H3 IPH E 22 -2.703 -8.707 7.493 1.00 37.27 H new HETATM 0 H2 IPH E 22 -3.777 -10.633 8.763 1.00 40.00 H new HETATM 4768 C1 IPH G 22 -12.113 3.401 -7.310 1.00 17.27 C HETATM 4769 C2 IPH G 22 -11.007 2.601 -7.808 1.00 40.00 C HETATM 4770 C3 IPH G 22 -9.745 2.574 -7.086 1.00 37.90 C HETATM 4771 C4 IPH G 22 -9.590 3.347 -5.865 1.00 9.79 C HETATM 4772 C5 IPH G 22 -10.697 4.149 -5.366 1.00 40.00 C HETATM 4773 C6 IPH G 22 -11.959 4.175 -6.089 1.00 40.00 C HETATM 4774 O1 IPH G 22 -13.310 3.427 -7.994 1.00 27.38 O HETATM 0 HO1 IPH G 22 -13.616 4.354 -8.084 1.00 27.38 H new HETATM 0 H6 IPH G 22 -12.789 4.775 -5.715 1.00 40.00 H new HETATM 0 H5 IPH G 22 -10.581 4.730 -4.451 1.00 40.00 H new HETATM 0 H4 IPH G 22 -8.645 3.326 -5.323 1.00 9.79 H new HETATM 0 H3 IPH G 22 -8.915 1.974 -7.460 1.00 37.90 H new HETATM 0 H2 IPH G 22 -11.123 2.021 -8.723 1.00 40.00 H new HETATM 4781 C1 IPH I 22 12.116 3.443 7.306 1.00 17.27 C HETATM 4782 C2 IPH I 22 11.010 2.642 7.803 1.00 40.00 C HETATM 4783 C3 IPH I 22 9.749 2.615 7.078 1.00 37.27 C HETATM 4784 C4 IPH I 22 9.595 3.388 5.857 1.00 9.79 C HETATM 4785 C5 IPH I 22 10.702 4.190 5.360 1.00 40.00 C HETATM 4786 C6 IPH I 22 11.963 4.217 6.085 1.00 40.00 C HETATM 4787 O1 IPH I 22 13.312 3.469 7.994 1.00 27.38 O HETATM 0 HO1 IPH I 22 13.615 4.396 8.088 1.00 27.38 H new HETATM 0 H6 IPH I 22 12.793 4.818 5.713 1.00 40.00 H new HETATM 0 H5 IPH I 22 10.587 4.771 4.445 1.00 40.00 H new HETATM 0 H4 IPH I 22 8.650 3.367 5.314 1.00 9.79 H new HETATM 0 H3 IPH I 22 8.919 2.015 7.451 1.00 37.27 H new HETATM 0 H2 IPH I 22 11.125 2.062 8.718 1.00 40.00 H new HETATM 4794 C1 IPH K 22 3.071 -12.200 -7.343 1.00 17.27 C HETATM 4795 C2 IPH K 22 3.205 -10.840 -7.835 1.00 40.00 C HETATM 4796 C3 IPH K 22 2.593 -9.739 -7.107 1.00 37.27 C HETATM 4797 C4 IPH K 22 1.850 -10.000 -5.886 1.00 9.79 C HETATM 4798 C5 IPH K 22 1.715 -11.361 -5.392 1.00 40.00 C HETATM 4799 C6 IPH K 22 2.326 -12.462 -6.122 1.00 40.00 C HETATM 4800 O1 IPH K 22 3.650 -13.243 -8.035 1.00 27.38 O HETATM 0 HO1 IPH K 22 3.221 -14.085 -7.776 1.00 27.38 H new HETATM 0 H6 IPH K 22 2.225 -13.483 -5.753 1.00 40.00 H new HETATM 0 H5 IPH K 22 1.157 -11.556 -4.476 1.00 40.00 H new HETATM 0 H4 IPH K 22 1.393 -9.175 -5.340 1.00 9.79 H new HETATM 0 H3 IPH K 22 2.692 -8.719 -7.477 1.00 37.27 H new HETATM 0 H2 IPH K 22 3.764 -10.644 -8.750 1.00 40.00 H new CONECT 82 146 CONECT 92 424 CONECT 146 82 CONECT 293 604 CONECT 424 92 CONECT 604 293 CONECT 870 934 CONECT 880 1212 CONECT 934 870 CONECT 1081 1392 CONECT 1212 880 CONECT 1392 1081 CONECT 1658 1722 CONECT 1668 2000 CONECT 1722 1658 CONECT 1869 2180 CONECT 2000 1668 CONECT 2180 1869 CONECT 2446 2510 CONECT 2456 2788 CONECT 2510 2446 CONECT 2657 2968 CONECT 2788 2456 CONECT 2968 2657 CONECT 3234 3298 CONECT 3244 3576 CONECT 3298 3234 CONECT 3445 3756 CONECT 3576 3244 CONECT 3756 3445 CONECT 4022 4086 CONECT 4032 4364 CONECT 4086 4022 CONECT 4233 4544 CONECT 4364 4032 CONECT 4544 4233 CONECT 4729 4730 4734 4735 CONECT 4730 4729 4731 4736 CONECT 4731 4730 4732 4737 CONECT 4732 4731 4733 4738 CONECT 4733 4732 4734 4739 CONECT 4734 4729 4733 4740 CONECT 4735 4729 4741 CONECT 4736 4730 CONECT 4737 4731 CONECT 4738 4732 CONECT 4739 4733 CONECT 4740 4734 CONECT 4741 4735 CONECT 4742 4743 4747 4748 CONECT 4743 4742 4744 4749 CONECT 4744 4743 4745 4750 CONECT 4745 4744 4746 4751 CONECT 4746 4745 4747 4752 CONECT 4747 4742 4746 4753 CONECT 4748 4742 4754 CONECT 4749 4743 CONECT 4750 4744 CONECT 4751 4745 CONECT 4752 4746 CONECT 4753 4747 CONECT 4754 4748 CONECT 4755 4756 4760 4761 CONECT 4756 4755 4757 4762 CONECT 4757 4756 4758 4763 CONECT 4758 4757 4759 4764 CONECT 4759 4758 4760 4765 CONECT 4760 4755 4759 4766 CONECT 4761 4755 4767 CONECT 4762 4756 CONECT 4763 4757 CONECT 4764 4758 CONECT 4765 4759 CONECT 4766 4760 CONECT 4767 4761 CONECT 4768 4769 4773 4774 CONECT 4769 4768 4770 4775 CONECT 4770 4769 4771 4776 CONECT 4771 4770 4772 4777 CONECT 4772 4771 4773 4778 CONECT 4773 4768 4772 4779 CONECT 4774 4768 4780 CONECT 4775 4769 CONECT 4776 4770 CONECT 4777 4771 CONECT 4778 4772 CONECT 4779 4773 CONECT 4780 4774 CONECT 4781 4782 4786 4787 CONECT 4782 4781 4783 4788 CONECT 4783 4782 4784 4789 CONECT 4784 4783 4785 4790 CONECT 4785 4784 4786 4791 CONECT 4786 4781 4785 4792 CONECT 4787 4781 4793 CONECT 4788 4782 CONECT 4789 4783 CONECT 4790 4784 CONECT 4791 4785 CONECT 4792 4786 CONECT 4793 4787 CONECT 4794 4795 4799 4800 CONECT 4795 4794 4796 4801 CONECT 4796 4795 4797 4802 CONECT 4797 4796 4798 4803 CONECT 4798 4797 4799 4804 CONECT 4799 4794 4798 4805 CONECT 4800 4794 4806 CONECT 4801 4795 CONECT 4802 4796 CONECT 4803 4797 CONECT 4804 4798 CONECT 4805 4799 CONECT 4806 4800 END