USER MOD reduce.3.24.130724 H: found=0, std=0, add=2334, rem=0, adj=90 USER MOD reduce.3.24.130724 removed 2322 hydrogens (36 hets) HEADER HORMONE/GROWTH FACTOR 29-DEC-98 4AIY TITLE R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, 'GREEN' SUBSTATE, TITLE 2 AVERAGE 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 MDLTYP MINIMIZED AVERAGE AUTHOR S.I.O'DONOGHUE,X.CHANG,R.ABSEHER,M.NILGES,J.J.LED REVDAT 3 24-FEB-09 4AIY 1 VERSN REVDAT 2 23-SEP-03 4AIY 1 JRNL DBREF REVDAT 1 28-FEB-00 4AIY 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 4AIY COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 15-JUL-99. REMARK 100 THE RCSB ID CODE IS RCSB007015. 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: NULL REMARK 215 REMARK 215 NMR STUDY REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON REMARK 215 THESE RECORDS ARE MEANINGLESS. REMARK 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 23.08 -143.73 REMARK 500 ILE A 10 122.15 61.58 REMARK 500 LYS B 29 74.56 -69.60 REMARK 500 SER C 9 22.89 -143.97 REMARK 500 ILE C 10 122.22 61.66 REMARK 500 LYS D 29 75.01 -69.89 REMARK 500 SER E 9 22.97 -143.21 REMARK 500 ILE E 10 122.09 61.67 REMARK 500 LYS F 29 74.92 -69.74 REMARK 500 SER G 9 23.02 -143.90 REMARK 500 ILE G 10 121.91 61.58 REMARK 500 LYS H 29 75.04 -69.80 REMARK 500 SER I 9 22.98 -143.35 REMARK 500 ILE I 10 122.44 61.58 REMARK 500 SER K 9 22.93 -143.20 REMARK 500 ILE K 10 121.94 61.57 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 0.24 SIDE_CHAIN REMARK 500 ARG D 22 0.24 SIDE_CHAIN REMARK 500 ARG F 22 0.24 SIDE_CHAIN REMARK 500 ARG H 22 0.24 SIDE_CHAIN REMARK 500 ARG J 22 0.24 SIDE_CHAIN REMARK 500 ARG L 22 0.24 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: 3AIY RELATED DB: PDB REMARK 900 AVERAGE STRUCTURE FOR THE ENSEMBLE 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 4AIY A 1 21 UNP P01308 INS_HUMAN 90 110 DBREF 4AIY B 1 30 UNP P01308 INS_HUMAN 25 54 DBREF 4AIY C 1 21 UNP P01308 INS_HUMAN 90 110 DBREF 4AIY D 1 30 UNP P01308 INS_HUMAN 25 54 DBREF 4AIY E 1 21 UNP P01308 INS_HUMAN 90 110 DBREF 4AIY F 1 30 UNP P01308 INS_HUMAN 25 54 DBREF 4AIY G 1 21 UNP P01308 INS_HUMAN 90 110 DBREF 4AIY H 1 30 UNP P01308 INS_HUMAN 25 54 DBREF 4AIY I 1 21 UNP P01308 INS_HUMAN 90 110 DBREF 4AIY J 1 30 UNP P01308 INS_HUMAN 25 54 DBREF 4AIY K 1 21 UNP P01308 INS_HUMAN 90 110 DBREF 4AIY 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 SER A 9 1 7 HELIX 2 2 LEU A 13 TYR A 19 1 7 HELIX 3 3 VAL B 2 CYS B 19 1 18 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 VAL D 2 CYS D 19 1 18 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 VAL F 2 CYS F 19 1 18 HELIX 10 10 VAL G 3 SER G 9 1 7 HELIX 11 11 LEU G 13 TYR G 19 1 7 HELIX 12 12 VAL H 2 CYS H 19 1 18 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 VAL J 2 CYS J 19 1 18 HELIX 16 16 VAL K 3 SER K 9 1 7 HELIX 17 17 LEU K 13 TYR K 19 1 7 HELIX 18 18 VAL L 2 CYS L 19 1 18 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 6 CYS A 6 ILE A 10 CYS A 11 LEU B 11 SITE *** AC1 6 ALA B 14 LEU H 17 SITE *** AC2 6 CYS C 6 ILE C 10 CYS C 11 LEU D 11 SITE *** AC2 6 ALA D 14 LEU J 17 SITE *** AC3 6 CYS E 6 ILE E 10 CYS E 11 LEU F 11 SITE *** AC3 6 ALA F 14 LEU L 17 SITE *** AC4 6 LEU B 17 CYS G 6 ILE G 10 CYS G 11 SITE *** AC4 6 LEU H 11 ALA H 14 SITE *** AC5 6 LEU D 17 CYS I 6 ILE I 10 CYS I 11 SITE *** AC5 6 LEU J 11 ALA J 14 SITE *** AC6 6 LEU F 17 CYS K 6 ILE K 10 CYS K 11 SITE *** AC6 6 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 9 SER OG : rot 83:sc= -0.0932 USER MOD Set 1.2: L 16 TYR OH : rot 121:sc= 1.36 USER MOD Set 2.1: D 10 HIS : no HE2:sc= -0.466 K(o=-1.3,f=-2.9) USER MOD Set 2.2: H 10 HIS : no HE2:sc= -0.408 K(o=-1.3,f=-2.5) USER MOD Set 2.3: L 10 HIS : no HE2:sc= -0.437 K(o=-1.3,f=-2.3) USER MOD Set 3.1: J 16 TYR OH : rot 132:sc= 0.943 USER MOD Set 3.2: L 9 SER OG : rot 81:sc= 0.284 USER MOD Set 4.1: K 5 GLN : amide:sc= -0.766 X(o=1,f=0.52!) USER MOD Set 4.2: K 12 SER OG : rot -95:sc= 1.19 USER MOD Set 4.3: K 15 GLN : amide:sc= 1.2 K(o=1,f=-1.1!) USER MOD Set 4.4: K 19 TYR OH : rot -103:sc= -0.61 USER MOD Set 5.1: K 8 THR OG1 : rot -110:sc= 0.878 USER MOD Set 5.2: K 9 SER OG : rot 180:sc= -0.083 USER MOD Set 6.1: K 1 GLY N :NH3+ -155:sc= -1.53 (180deg=-3.3!) USER MOD Set 6.2: L 30 THR OG1 : rot 180:sc= 0 USER MOD Set 7.1: I 1 GLY N :NH3+ -157:sc= -1.43 (180deg=-3.25!) USER MOD Set 7.2: J 30 THR OG1 : rot 180:sc= 0 USER MOD Set 8.1: I 5 GLN : amide:sc= -0.917 X(o=0.79,f=0.74!) USER MOD Set 8.2: I 12 SER OG : rot -94:sc= 1.18 USER MOD Set 8.3: I 15 GLN : amide:sc= 1.17 K(o=0.79,f=-1.2!) USER MOD Set 8.4: I 19 TYR OH : rot -42:sc= -0.642 USER MOD Set 9.1: I 8 THR OG1 : rot -111:sc= 0.911 USER MOD Set 9.2: I 9 SER OG : rot 180:sc= -0.0708 USER MOD Set10.1: G 8 THR OG1 : rot -112:sc= 0.913 USER MOD Set10.2: G 9 SER OG : rot 180:sc= -0.0674 USER MOD Set11.1: G 5 GLN : amide:sc= -0.691 X(o=1.1,f=0.69!) USER MOD Set11.2: G 12 SER OG : rot -89:sc= 1.19 USER MOD Set11.3: G 15 GLN : amide:sc= 1.27 K(o=1.1,f=-1.2!) USER MOD Set11.4: G 19 TYR OH : rot -101:sc= -0.641 USER MOD Set12.1: G 1 GLY N :NH3+ -156:sc= -1.43 (180deg=-3.04!) USER MOD Set12.2: H 30 THR OG1 : rot 180:sc= 0 USER MOD Set13.1: F 16 TYR OH : rot 118:sc= 1.41 USER MOD Set13.2: H 9 SER OG : rot 86:sc= -0.0533 USER MOD Set14.1: F 9 SER OG : rot 76:sc= -0.662! USER MOD Set14.2: H 16 TYR OH : rot 146:sc= 1.48 USER MOD Set15.1: E 8 THR OG1 : rot -110:sc= 0.883 USER MOD Set15.2: E 9 SER OG : rot 180:sc= -0.042 USER MOD Set16.1: E 5 GLN : amide:sc= -0.739 K(o=1.1,f=0.55!) USER MOD Set16.2: E 12 SER OG : rot -93:sc= 1.21 USER MOD Set16.3: E 15 GLN : amide:sc= 1.21 K(o=1.1,f=-0.89!) USER MOD Set16.4: E 19 TYR OH : rot -101:sc= -0.618 USER MOD Set17.1: E 1 GLY N :NH3+ -158:sc= -1.49 (180deg=-3.22!) USER MOD Set17.2: F 30 THR OG1 : rot 180:sc= 0 USER MOD Set18.1: C 8 THR OG1 : rot -112:sc= 0.893 USER MOD Set18.2: C 9 SER OG : rot 180:sc= -0.0629 USER MOD Set19.1: C 5 GLN : amide:sc= -0.946 X(o=0.82,f=0.59!) USER MOD Set19.2: C 12 SER OG : rot -93:sc= 1.29 USER MOD Set19.3: C 15 GLN : amide:sc= 1.2 K(o=0.82,f=-1.3!) USER MOD Set19.4: C 19 TYR OH : rot -41:sc= -0.732 USER MOD Set20.1: C 1 GLY N :NH3+ -154:sc= -1.61 (180deg=-3.31!) USER MOD Set20.2: D 30 THR OG1 : rot 180:sc= 0 USER MOD Set21.1: A 1 GLY N :NH3+ -156:sc= -1.6 (180deg=-3.28!) USER MOD Set21.2: B 30 THR OG1 : rot 180:sc= 0 USER MOD Set22.1: B 16 TYR OH : rot 131:sc= 1.41 USER MOD Set22.2: D 9 SER OG : rot 83:sc= -0.301 USER MOD Set23.1: B 10 HIS : no HE2:sc= -0.418 K(o=-1.3,f=-2.5) USER MOD Set23.2: F 10 HIS : no HE2:sc= -0.499 K(o=-1.3,f=-2.4) USER MOD Set23.3: J 10 HIS : no HE2:sc= -0.41 K(o=-1.3,f=-2.6) USER MOD Set24.1: B 9 SER OG : rot 85:sc= -0.253 USER MOD Set24.2: D 16 TYR OH : rot 122:sc= 1.46 USER MOD Set25.1: A 5 GLN : amide:sc= -0.979 X(o=0.67,f=0.69!) USER MOD Set25.2: A 12 SER OG : rot -91:sc= 1.17 USER MOD Set25.3: A 15 GLN : amide:sc= 1.24 K(o=0.67,f=-1.3!) USER MOD Set25.4: A 19 TYR OH : rot -41:sc= -0.756 USER MOD Set26.1: A 8 THR OG1 : rot -112:sc= 0.879 USER MOD Set26.2: A 9 SER OG : rot 180:sc= -0.0731 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.56) USER MOD Single : A 21 ASN : amide:sc= -0.505 K(o=-0.51,f=-2) USER MOD Single : A 22 IPH O1 : rot -143:sc= 0.056 USER MOD Single : B 1 PHE N :NH3+ -167:sc= -0.013 (180deg=-0.243) USER MOD Single : B 3 ASN : amide:sc= -0.201 K(o=-0.2,f=-1.8!) USER MOD Single : B 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -3.27 K(o=-3.3,f=-4.6!) USER MOD Single : B 26 TYR OH : rot -150:sc= -1.53 USER MOD Single : B 27 THR OG1 : rot 180:sc= 0 USER MOD Single : B 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 18 ASN : amide:sc= -0.567 X(o=-0.57,f=-0.67) USER MOD Single : C 21 ASN : amide:sc= -0.53 K(o=-0.53,f=-2.2) USER MOD Single : C 22 IPH O1 : rot -140:sc= 0.137 USER MOD Single : D 1 PHE N :NH3+ -166:sc= -0.0621 (180deg=-0.223) USER MOD Single : D 3 ASN : amide:sc= -0.284 K(o=-0.28,f=-1.6!) USER MOD Single : D 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : D 5 HIS : no HE2:sc= -3.48! C(o=-3.5!,f=-4.6!) USER MOD Single : D 26 TYR OH : rot -140:sc= -1.53 USER MOD Single : D 27 THR OG1 : rot 180:sc= 0 USER MOD Single : D 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : E 14 TYR OH : rot 180:sc= 0 USER MOD Single : E 18 ASN : amide:sc= -0.576 X(o=-0.58,f=-0.6) USER MOD Single : E 21 ASN : amide:sc= -0.485 K(o=-0.48,f=-2.3!) USER MOD Single : E 22 IPH O1 : rot -150:sc= 0.0762 USER MOD Single : F 1 PHE N :NH3+ -167:sc= -0.0541 (180deg=-0.222) USER MOD Single : F 3 ASN : amide:sc= -0.226 K(o=-0.23,f=-1.7!) USER MOD Single : F 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : F 5 HIS : no HE2:sc= -3.49! C(o=-3.5!,f=-4.5!) USER MOD Single : F 26 TYR OH : rot -150:sc= -1.51 USER MOD Single : F 27 THR OG1 : rot 180:sc= 0 USER MOD Single : F 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : G 14 TYR OH : rot 180:sc= 0 USER MOD Single : G 18 ASN : amide:sc= -0.55 X(o=-0.55,f=-0.55) USER MOD Single : G 21 ASN : amide:sc= -0.516 K(o=-0.52,f=-2.1) USER MOD Single : G 22 IPH O1 : rot -140:sc= 0.0403 USER MOD Single : H 1 PHE N :NH3+ -167:sc= -0.0633 (180deg=-0.262) USER MOD Single : H 3 ASN : amide:sc= -0.259 K(o=-0.26,f=-1.8!) USER MOD Single : H 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : H 5 HIS : no HE2:sc= -2.97 K(o=-3,f=-4.1!) USER MOD Single : H 26 TYR OH : rot -150:sc= -1.51 USER MOD Single : H 27 THR OG1 : rot 180:sc= 0 USER MOD Single : H 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 14 TYR OH : rot 180:sc= 0 USER MOD Single : I 18 ASN : amide:sc= -0.513 X(o=-0.51,f=-0.58) USER MOD Single : I 21 ASN : amide:sc= -0.607 K(o=-0.61,f=-2.3!) USER MOD Single : I 22 IPH O1 : rot -140:sc= 0.122 USER MOD Single : J 1 PHE N :NH3+ -166:sc= -0.0292 (180deg=-0.234) USER MOD Single : J 3 ASN : amide:sc= -0.312 K(o=-0.31,f=-1.7!) USER MOD Single : J 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : J 5 HIS : no HE2:sc= -3 K(o=-3,f=-4.2!) USER MOD Single : J 26 TYR OH : rot -150:sc= -1.52 USER MOD Single : J 27 THR OG1 : rot 180:sc= 0 USER MOD Single : J 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : K 14 TYR OH : rot 180:sc= 0 USER MOD Single : K 18 ASN : amide:sc= -0.527 X(o=-0.53,f=-0.59) USER MOD Single : K 21 ASN : amide:sc= -0.487 K(o=-0.49,f=-2.1) USER MOD Single : K 22 IPH O1 : rot -155:sc= 0.174 USER MOD Single : L 1 PHE N :NH3+ -168:sc= -0.0235 (180deg=-0.249) USER MOD Single : L 3 ASN : amide:sc= -0.243 K(o=-0.24,f=-1.7!) USER MOD Single : L 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : L 5 HIS : no HE2:sc= -3.11 K(o=-3.1,f=-4.7!) USER MOD Single : L 26 TYR OH : rot -140:sc= -1.56 USER MOD Single : L 27 THR OG1 : rot 180:sc= 0 USER MOD Single : L 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.652 17.820 14.013 1.00 0.31 N ATOM 2 CA GLY A 1 -3.348 18.681 13.013 1.00 0.31 C ATOM 3 C GLY A 1 -4.220 17.809 12.107 1.00 0.31 C ATOM 4 O GLY A 1 -5.433 17.825 12.193 1.00 0.31 O ATOM 0 H1 GLY A 1 -2.403 18.389 14.847 1.00 0.31 H new ATOM 0 H2 GLY A 1 -3.281 17.043 14.299 1.00 0.31 H new ATOM 0 H3 GLY A 1 -1.787 17.427 13.591 1.00 0.31 H new ATOM 0 HA2 GLY A 1 -3.963 19.424 13.522 1.00 0.31 H new ATOM 0 HA3 GLY A 1 -2.617 19.227 12.416 1.00 0.31 H new ATOM 10 N ILE A 2 -3.613 17.043 11.243 1.00 0.03 N ATOM 11 CA ILE A 2 -4.406 16.168 10.338 1.00 0.03 C ATOM 12 C ILE A 2 -4.029 14.713 10.595 1.00 0.03 C ATOM 13 O ILE A 2 -4.861 13.828 10.560 1.00 0.03 O ATOM 14 CB ILE A 2 -4.100 16.524 8.883 1.00 0.03 C ATOM 15 CG1 ILE A 2 -4.911 15.615 7.955 1.00 0.03 C ATOM 16 CG2 ILE A 2 -2.608 16.326 8.611 1.00 0.03 C ATOM 17 CD1 ILE A 2 -4.770 16.102 6.512 1.00 0.03 C ATOM 0 H ILE A 2 -2.601 16.986 11.125 1.00 0.03 H new ATOM 0 HA ILE A 2 -5.470 16.313 10.528 1.00 0.03 H new ATOM 0 HB ILE A 2 -4.368 17.565 8.700 1.00 0.03 H new ATOM 0 HG12 ILE A 2 -4.560 14.586 8.039 1.00 0.03 H new ATOM 0 HG13 ILE A 2 -5.960 15.619 8.250 1.00 0.03 H new ATOM 0 HG21 ILE A 2 -2.390 16.580 7.574 1.00 0.03 H new ATOM 0 HG22 ILE A 2 -2.029 16.971 9.272 1.00 0.03 H new ATOM 0 HG23 ILE A 2 -2.340 15.285 8.794 1.00 0.03 H new ATOM 0 HD11 ILE A 2 -5.347 15.455 5.852 1.00 0.03 H new ATOM 0 HD12 ILE A 2 -5.142 17.124 6.435 1.00 0.03 H new ATOM 0 HD13 ILE A 2 -3.720 16.075 6.220 1.00 0.03 H new ATOM 29 N VAL A 3 -2.780 14.458 10.852 1.00 0.00 N ATOM 30 CA VAL A 3 -2.345 13.062 11.111 1.00 0.00 C ATOM 31 C VAL A 3 -2.839 12.622 12.488 1.00 0.00 C ATOM 32 O VAL A 3 -3.537 11.638 12.631 1.00 0.00 O ATOM 33 CB VAL A 3 -0.821 12.997 11.077 1.00 0.00 C ATOM 34 CG1 VAL A 3 -0.373 11.538 11.136 1.00 0.00 C ATOM 35 CG2 VAL A 3 -0.313 13.634 9.782 1.00 0.00 C ATOM 0 H VAL A 3 -2.040 15.158 10.894 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.759 12.402 10.348 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.414 13.537 11.932 1.00 0.00 H new ATOM 0 HG11 VAL A 3 0.716 11.490 11.112 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.736 11.083 12.058 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.779 10.998 10.281 1.00 0.00 H new ATOM 0 HG21 VAL A 3 0.776 13.588 9.757 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.719 13.093 8.927 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.633 14.675 9.738 1.00 0.00 H new ATOM 45 N GLU A 4 -2.475 13.344 13.504 1.00 0.39 N ATOM 46 CA GLU A 4 -2.909 12.982 14.878 1.00 0.39 C ATOM 47 C GLU A 4 -4.437 12.940 14.950 1.00 0.39 C ATOM 48 O GLU A 4 -5.013 12.288 15.795 1.00 0.39 O ATOM 49 CB GLU A 4 -2.394 14.043 15.848 1.00 0.39 C ATOM 50 CG GLU A 4 -2.079 13.402 17.198 1.00 0.39 C ATOM 51 CD GLU A 4 -1.453 14.450 18.120 1.00 0.39 C ATOM 52 OE1 GLU A 4 -0.313 14.820 17.877 1.00 0.39 O ATOM 53 OE2 GLU A 4 -2.125 14.870 19.051 1.00 0.39 O ATOM 0 H GLU A 4 -1.890 14.177 13.442 1.00 0.39 H new ATOM 0 HA GLU A 4 -2.512 12.001 15.139 1.00 0.39 H new ATOM 0 HB2 GLU A 4 -1.500 14.516 15.442 1.00 0.39 H new ATOM 0 HB3 GLU A 4 -3.141 14.827 15.973 1.00 0.39 H new ATOM 0 HG2 GLU A 4 -2.989 13.004 17.646 1.00 0.39 H new ATOM 0 HG3 GLU A 4 -1.396 12.563 17.065 1.00 0.39 H new ATOM 60 N GLN A 5 -5.093 13.655 14.086 1.00 0.23 N ATOM 61 CA GLN A 5 -6.580 13.689 14.117 1.00 0.23 C ATOM 62 C GLN A 5 -7.166 12.493 13.362 1.00 0.23 C ATOM 63 O GLN A 5 -8.183 11.949 13.743 1.00 0.23 O ATOM 64 CB GLN A 5 -7.045 14.991 13.461 1.00 0.23 C ATOM 65 CG GLN A 5 -8.572 15.055 13.443 1.00 0.23 C ATOM 66 CD GLN A 5 -9.014 16.188 12.515 1.00 0.23 C ATOM 67 OE1 GLN A 5 -8.444 17.261 12.536 1.00 0.23 O ATOM 68 NE2 GLN A 5 -10.012 15.996 11.697 1.00 0.23 N ATOM 0 H GLN A 5 -4.663 14.221 13.355 1.00 0.23 H new ATOM 0 HA GLN A 5 -6.923 13.638 15.150 1.00 0.23 H new ATOM 0 HB2 GLN A 5 -6.644 15.845 14.006 1.00 0.23 H new ATOM 0 HB3 GLN A 5 -6.659 15.053 12.444 1.00 0.23 H new ATOM 0 HG2 GLN A 5 -8.984 14.106 13.101 1.00 0.23 H new ATOM 0 HG3 GLN A 5 -8.953 15.223 14.450 1.00 0.23 H new ATOM 0 HE21 GLN A 5 -10.491 15.095 11.679 1.00 0.23 H new ATOM 0 HE22 GLN A 5 -10.314 16.746 11.075 1.00 0.23 H new ATOM 77 N CYS A 6 -6.556 12.093 12.280 1.00 0.00 N ATOM 78 CA CYS A 6 -7.115 10.954 11.498 1.00 0.00 C ATOM 79 C CYS A 6 -6.419 9.645 11.860 1.00 0.00 C ATOM 80 O CYS A 6 -6.948 8.579 11.617 1.00 0.00 O ATOM 81 CB CYS A 6 -6.942 11.232 10.007 1.00 0.00 C ATOM 82 SG CYS A 6 -7.677 12.836 9.603 1.00 0.00 S ATOM 0 H CYS A 6 -5.700 12.502 11.905 1.00 0.00 H new ATOM 0 HA CYS A 6 -8.173 10.855 11.739 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -5.884 11.229 9.746 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -7.417 10.445 9.422 1.00 0.00 H new ATOM 87 N CYS A 7 -5.248 9.699 12.437 1.00 0.08 N ATOM 88 CA CYS A 7 -4.554 8.431 12.803 1.00 0.08 C ATOM 89 C CYS A 7 -4.882 8.062 14.256 1.00 0.08 C ATOM 90 O CYS A 7 -4.173 7.305 14.886 1.00 0.08 O ATOM 91 CB CYS A 7 -3.040 8.596 12.635 1.00 0.08 C ATOM 92 SG CYS A 7 -2.254 6.963 12.655 1.00 0.08 S ATOM 0 H CYS A 7 -4.747 10.557 12.669 1.00 0.08 H new ATOM 0 HA CYS A 7 -4.898 7.633 12.145 1.00 0.08 H new ATOM 0 HB2 CYS A 7 -2.820 9.107 11.698 1.00 0.08 H new ATOM 0 HB3 CYS A 7 -2.639 9.215 13.437 1.00 0.08 H new ATOM 97 N THR A 8 -5.958 8.581 14.790 1.00 0.28 N ATOM 98 CA THR A 8 -6.332 8.247 16.193 1.00 0.28 C ATOM 99 C THR A 8 -7.702 7.575 16.196 1.00 0.28 C ATOM 100 O THR A 8 -7.922 6.595 16.876 1.00 0.28 O ATOM 101 CB THR A 8 -6.403 9.523 17.031 1.00 0.28 C ATOM 102 OG1 THR A 8 -7.148 10.506 16.327 1.00 0.28 O ATOM 103 CG2 THR A 8 -4.990 10.040 17.301 1.00 0.28 C ATOM 0 H THR A 8 -6.593 9.222 14.313 1.00 0.28 H new ATOM 0 HA THR A 8 -5.583 7.578 16.616 1.00 0.28 H new ATOM 0 HB THR A 8 -6.892 9.309 17.981 1.00 0.28 H new ATOM 0 HG1 THR A 8 -6.552 11.234 16.052 1.00 0.28 H new ATOM 0 HG21 THR A 8 -5.044 10.950 17.899 1.00 0.28 H new ATOM 0 HG22 THR A 8 -4.423 9.283 17.843 1.00 0.28 H new ATOM 0 HG23 THR A 8 -4.495 10.256 16.354 1.00 0.28 H new ATOM 111 N SER A 9 -8.623 8.092 15.433 1.00 0.33 N ATOM 112 CA SER A 9 -9.980 7.479 15.383 1.00 0.33 C ATOM 113 C SER A 9 -10.538 7.573 13.960 1.00 0.33 C ATOM 114 O SER A 9 -11.732 7.523 13.751 1.00 0.33 O ATOM 115 CB SER A 9 -10.908 8.222 16.344 1.00 0.33 C ATOM 116 OG SER A 9 -10.139 8.756 17.415 1.00 0.33 O ATOM 0 H SER A 9 -8.495 8.913 14.841 1.00 0.33 H new ATOM 0 HA SER A 9 -9.914 6.431 15.675 1.00 0.33 H new ATOM 0 HB2 SER A 9 -11.429 9.023 15.820 1.00 0.33 H new ATOM 0 HB3 SER A 9 -11.670 7.545 16.730 1.00 0.33 H new ATOM 0 HG SER A 9 -10.729 9.235 18.034 1.00 0.33 H new ATOM 122 N ILE A 10 -9.680 7.697 12.981 1.00 0.15 N ATOM 123 CA ILE A 10 -10.148 7.779 11.566 1.00 0.15 C ATOM 124 C ILE A 10 -11.035 9.009 11.359 1.00 0.15 C ATOM 125 O ILE A 10 -12.053 9.173 11.998 1.00 0.15 O ATOM 126 CB ILE A 10 -10.925 6.508 11.213 1.00 0.15 C ATOM 127 CG1 ILE A 10 -10.001 5.298 11.371 1.00 0.15 C ATOM 128 CG2 ILE A 10 -11.415 6.586 9.766 1.00 0.15 C ATOM 129 CD1 ILE A 10 -10.828 4.013 11.320 1.00 0.15 C ATOM 0 H ILE A 10 -8.668 7.745 13.102 1.00 0.15 H new ATOM 0 HA ILE A 10 -9.280 7.870 10.913 1.00 0.15 H new ATOM 0 HB ILE A 10 -11.783 6.410 11.877 1.00 0.15 H new ATOM 0 HG12 ILE A 10 -9.253 5.293 10.578 1.00 0.15 H new ATOM 0 HG13 ILE A 10 -9.463 5.359 12.317 1.00 0.15 H new ATOM 0 HG21 ILE A 10 -11.967 5.679 9.520 1.00 0.15 H new ATOM 0 HG22 ILE A 10 -12.067 7.451 9.649 1.00 0.15 H new ATOM 0 HG23 ILE A 10 -10.560 6.683 9.097 1.00 0.15 H new ATOM 0 HD11 ILE A 10 -10.169 3.152 11.433 1.00 0.15 H new ATOM 0 HD12 ILE A 10 -11.559 4.019 12.128 1.00 0.15 H new ATOM 0 HD13 ILE A 10 -11.346 3.951 10.363 1.00 0.15 H new ATOM 141 N CYS A 11 -10.654 9.867 10.450 1.00 0.04 N ATOM 142 CA CYS A 11 -11.467 11.083 10.177 1.00 0.04 C ATOM 143 C CYS A 11 -12.642 10.703 9.280 1.00 0.04 C ATOM 144 O CYS A 11 -12.605 9.711 8.581 1.00 0.04 O ATOM 145 CB CYS A 11 -10.608 12.121 9.452 1.00 0.04 C ATOM 146 SG CYS A 11 -9.430 12.857 10.609 1.00 0.04 S ATOM 0 H CYS A 11 -9.811 9.775 9.884 1.00 0.04 H new ATOM 0 HA CYS A 11 -11.829 11.498 11.118 1.00 0.04 H new ATOM 0 HB2 CYS A 11 -10.075 11.652 8.625 1.00 0.04 H new ATOM 0 HB3 CYS A 11 -11.243 12.896 9.023 1.00 0.04 H new ATOM 151 N SER A 12 -13.684 11.485 9.287 1.00 0.24 N ATOM 152 CA SER A 12 -14.854 11.166 8.427 1.00 0.24 C ATOM 153 C SER A 12 -14.650 11.798 7.050 1.00 0.24 C ATOM 154 O SER A 12 -13.841 12.689 6.879 1.00 0.24 O ATOM 155 CB SER A 12 -16.126 11.725 9.064 1.00 0.24 C ATOM 156 OG SER A 12 -15.896 13.071 9.462 1.00 0.24 O ATOM 0 H SER A 12 -13.775 12.330 9.851 1.00 0.24 H new ATOM 0 HA SER A 12 -14.950 10.085 8.324 1.00 0.24 H new ATOM 0 HB2 SER A 12 -16.953 11.679 8.355 1.00 0.24 H new ATOM 0 HB3 SER A 12 -16.411 11.122 9.926 1.00 0.24 H new ATOM 0 HG SER A 12 -15.568 13.088 10.385 1.00 0.24 H new ATOM 162 N LEU A 13 -15.375 11.342 6.068 1.00 0.20 N ATOM 163 CA LEU A 13 -15.222 11.908 4.698 1.00 0.20 C ATOM 164 C LEU A 13 -15.356 13.435 4.733 1.00 0.20 C ATOM 165 O LEU A 13 -14.591 14.148 4.116 1.00 0.20 O ATOM 166 CB LEU A 13 -16.306 11.327 3.792 1.00 0.20 C ATOM 167 CG LEU A 13 -15.940 11.586 2.332 1.00 0.20 C ATOM 168 CD1 LEU A 13 -16.399 10.404 1.475 1.00 0.20 C ATOM 169 CD2 LEU A 13 -16.633 12.864 1.853 1.00 0.20 C ATOM 0 H LEU A 13 -16.069 10.600 6.155 1.00 0.20 H new ATOM 0 HA LEU A 13 -14.235 11.649 4.315 1.00 0.20 H new ATOM 0 HB2 LEU A 13 -16.407 10.256 3.968 1.00 0.20 H new ATOM 0 HB3 LEU A 13 -17.270 11.781 4.023 1.00 0.20 H new ATOM 0 HG LEU A 13 -14.860 11.702 2.242 1.00 0.20 H new ATOM 0 HD11 LEU A 13 -16.138 10.587 0.433 1.00 0.20 H new ATOM 0 HD12 LEU A 13 -15.907 9.494 1.817 1.00 0.20 H new ATOM 0 HD13 LEU A 13 -17.479 10.288 1.564 1.00 0.20 H new ATOM 0 HD21 LEU A 13 -16.373 13.050 0.811 1.00 0.20 H new ATOM 0 HD22 LEU A 13 -17.713 12.747 1.942 1.00 0.20 H new ATOM 0 HD23 LEU A 13 -16.307 13.706 2.464 1.00 0.20 H new ATOM 181 N TYR A 14 -16.324 13.944 5.441 1.00 0.52 N ATOM 182 CA TYR A 14 -16.503 15.422 5.498 1.00 0.52 C ATOM 183 C TYR A 14 -15.315 16.064 6.213 1.00 0.52 C ATOM 184 O TYR A 14 -14.982 17.208 5.979 1.00 0.52 O ATOM 185 CB TYR A 14 -17.792 15.750 6.252 1.00 0.52 C ATOM 186 CG TYR A 14 -18.967 15.208 5.477 1.00 0.52 C ATOM 187 CD1 TYR A 14 -19.346 15.820 4.215 1.00 0.52 C ATOM 188 CD2 TYR A 14 -19.713 14.069 5.988 1.00 0.52 C ATOM 189 CE1 TYR A 14 -20.472 15.292 3.460 1.00 0.52 C ATOM 190 CE2 TYR A 14 -20.841 13.542 5.234 1.00 0.52 C ATOM 191 CZ TYR A 14 -21.219 14.153 3.969 1.00 0.52 C ATOM 192 OH TYR A 14 -22.285 13.647 3.251 1.00 0.52 O ATOM 0 H TYR A 14 -16.998 13.403 5.982 1.00 0.52 H new ATOM 0 HA TYR A 14 -16.563 15.815 4.483 1.00 0.52 H new ATOM 0 HB2 TYR A 14 -17.766 15.313 7.250 1.00 0.52 H new ATOM 0 HB3 TYR A 14 -17.890 16.828 6.379 1.00 0.52 H new ATOM 0 HD1 TYR A 14 -18.792 16.667 3.837 1.00 0.52 H new ATOM 0 HD2 TYR A 14 -19.430 13.615 6.926 1.00 0.52 H new ATOM 0 HE1 TYR A 14 -20.753 15.746 2.521 1.00 0.52 H new ATOM 0 HE2 TYR A 14 -21.397 12.698 5.614 1.00 0.52 H new ATOM 0 HH TYR A 14 -22.672 12.886 3.732 1.00 0.52 H new ATOM 202 N GLN A 15 -14.672 15.342 7.086 1.00 0.24 N ATOM 203 CA GLN A 15 -13.509 15.923 7.813 1.00 0.24 C ATOM 204 C GLN A 15 -12.299 15.969 6.884 1.00 0.24 C ATOM 205 O GLN A 15 -11.481 16.867 6.954 1.00 0.24 O ATOM 206 CB GLN A 15 -13.179 15.049 9.023 1.00 0.24 C ATOM 207 CG GLN A 15 -13.942 15.555 10.245 1.00 0.24 C ATOM 208 CD GLN A 15 -13.754 14.573 11.402 1.00 0.24 C ATOM 209 OE1 GLN A 15 -14.395 13.540 11.447 1.00 0.24 O ATOM 210 NE2 GLN A 15 -12.894 14.850 12.342 1.00 0.24 N ATOM 0 H GLN A 15 -14.900 14.378 7.328 1.00 0.24 H new ATOM 0 HA GLN A 15 -13.756 16.932 8.144 1.00 0.24 H new ATOM 0 HB2 GLN A 15 -13.446 14.012 8.819 1.00 0.24 H new ATOM 0 HB3 GLN A 15 -12.107 15.070 9.217 1.00 0.24 H new ATOM 0 HG2 GLN A 15 -13.581 16.543 10.530 1.00 0.24 H new ATOM 0 HG3 GLN A 15 -15.001 15.658 10.009 1.00 0.24 H new ATOM 0 HE21 GLN A 15 -12.357 15.716 12.303 1.00 0.24 H new ATOM 0 HE22 GLN A 15 -12.758 14.200 13.116 1.00 0.24 H new ATOM 219 N LEU A 16 -12.172 15.001 6.023 1.00 0.02 N ATOM 220 CA LEU A 16 -11.009 14.973 5.093 1.00 0.02 C ATOM 221 C LEU A 16 -11.144 16.088 4.053 1.00 0.02 C ATOM 222 O LEU A 16 -10.164 16.604 3.552 1.00 0.02 O ATOM 223 CB LEU A 16 -10.970 13.616 4.393 1.00 0.02 C ATOM 224 CG LEU A 16 -10.782 12.517 5.440 1.00 0.02 C ATOM 225 CD1 LEU A 16 -10.916 11.146 4.778 1.00 0.02 C ATOM 226 CD2 LEU A 16 -9.395 12.646 6.066 1.00 0.02 C ATOM 0 H LEU A 16 -12.826 14.224 5.922 1.00 0.02 H new ATOM 0 HA LEU A 16 -10.087 15.127 5.654 1.00 0.02 H new ATOM 0 HB2 LEU A 16 -11.894 13.453 3.838 1.00 0.02 H new ATOM 0 HB3 LEU A 16 -10.155 13.589 3.670 1.00 0.02 H new ATOM 0 HG LEU A 16 -11.544 12.620 6.213 1.00 0.02 H new ATOM 0 HD11 LEU A 16 -10.781 10.366 5.527 1.00 0.02 H new ATOM 0 HD12 LEU A 16 -11.906 11.053 4.331 1.00 0.02 H new ATOM 0 HD13 LEU A 16 -10.157 11.040 4.003 1.00 0.02 H new ATOM 0 HD21 LEU A 16 -9.259 11.864 6.813 1.00 0.02 H new ATOM 0 HD22 LEU A 16 -8.635 12.544 5.291 1.00 0.02 H new ATOM 0 HD23 LEU A 16 -9.300 13.622 6.542 1.00 0.02 H new ATOM 238 N GLU A 17 -12.347 16.467 3.728 1.00 0.29 N ATOM 239 CA GLU A 17 -12.548 17.548 2.722 1.00 0.29 C ATOM 240 C GLU A 17 -11.858 18.836 3.183 1.00 0.29 C ATOM 241 O GLU A 17 -11.305 19.572 2.392 1.00 0.29 O ATOM 242 CB GLU A 17 -14.043 17.810 2.563 1.00 0.29 C ATOM 243 CG GLU A 17 -14.571 17.041 1.354 1.00 0.29 C ATOM 244 CD GLU A 17 -15.703 17.835 0.706 1.00 0.29 C ATOM 245 OE1 GLU A 17 -15.434 18.920 0.214 1.00 0.29 O ATOM 246 OE2 GLU A 17 -16.823 17.347 0.714 1.00 0.29 O ATOM 0 H GLU A 17 -13.204 16.074 4.117 1.00 0.29 H new ATOM 0 HA GLU A 17 -12.118 17.235 1.771 1.00 0.29 H new ATOM 0 HB2 GLU A 17 -14.574 17.502 3.463 1.00 0.29 H new ATOM 0 HB3 GLU A 17 -14.224 18.877 2.436 1.00 0.29 H new ATOM 0 HG2 GLU A 17 -13.769 16.876 0.635 1.00 0.29 H new ATOM 0 HG3 GLU A 17 -14.930 16.059 1.662 1.00 0.29 H new ATOM 253 N ASN A 18 -11.896 19.123 4.455 1.00 0.41 N ATOM 254 CA ASN A 18 -11.254 20.372 4.960 1.00 0.41 C ATOM 255 C ASN A 18 -9.797 20.434 4.507 1.00 0.41 C ATOM 256 O ASN A 18 -9.242 21.497 4.312 1.00 0.41 O ATOM 257 CB ASN A 18 -11.309 20.395 6.487 1.00 0.41 C ATOM 258 CG ASN A 18 -12.731 20.076 6.947 1.00 0.41 C ATOM 259 OD1 ASN A 18 -13.690 20.516 6.344 1.00 0.41 O ATOM 260 ND2 ASN A 18 -12.909 19.321 7.995 1.00 0.41 N ATOM 0 H ASN A 18 -12.344 18.547 5.168 1.00 0.41 H new ATOM 0 HA ASN A 18 -11.791 21.232 4.559 1.00 0.41 H new ATOM 0 HB2 ASN A 18 -10.610 19.667 6.898 1.00 0.41 H new ATOM 0 HB3 ASN A 18 -11.005 21.374 6.858 1.00 0.41 H new ATOM 0 HD21 ASN A 18 -13.854 19.099 8.309 1.00 0.41 H new ATOM 0 HD22 ASN A 18 -12.104 18.952 8.501 1.00 0.41 H new ATOM 267 N TYR A 19 -9.167 19.307 4.341 1.00 0.10 N ATOM 268 CA TYR A 19 -7.743 19.316 3.902 1.00 0.10 C ATOM 269 C TYR A 19 -7.648 19.272 2.370 1.00 0.10 C ATOM 270 O TYR A 19 -6.590 19.474 1.807 1.00 0.10 O ATOM 271 CB TYR A 19 -7.029 18.106 4.499 1.00 0.10 C ATOM 272 CG TYR A 19 -7.252 18.092 5.991 1.00 0.10 C ATOM 273 CD1 TYR A 19 -6.366 18.846 6.866 1.00 0.10 C ATOM 274 CD2 TYR A 19 -8.356 17.330 6.554 1.00 0.10 C ATOM 275 CE1 TYR A 19 -6.584 18.835 8.303 1.00 0.10 C ATOM 276 CE2 TYR A 19 -8.573 17.320 7.992 1.00 0.10 C ATOM 277 CZ TYR A 19 -7.687 18.073 8.867 1.00 0.10 C ATOM 278 OH TYR A 19 -7.894 18.063 10.232 1.00 0.10 O ATOM 0 H TYR A 19 -9.573 18.383 4.489 1.00 0.10 H new ATOM 0 HA TYR A 19 -7.270 20.235 4.248 1.00 0.10 H new ATOM 0 HB2 TYR A 19 -7.409 17.187 4.053 1.00 0.10 H new ATOM 0 HB3 TYR A 19 -5.963 18.151 4.278 1.00 0.10 H new ATOM 0 HD1 TYR A 19 -5.547 19.413 6.448 1.00 0.10 H new ATOM 0 HD2 TYR A 19 -9.014 16.772 5.904 1.00 0.10 H new ATOM 0 HE1 TYR A 19 -5.926 19.393 8.953 1.00 0.10 H new ATOM 0 HE2 TYR A 19 -9.392 16.754 8.411 1.00 0.10 H new ATOM 0 HH TYR A 19 -7.032 18.000 10.693 1.00 0.10 H new ATOM 288 N CYS A 20 -8.734 19.015 1.684 1.00 0.06 N ATOM 289 CA CYS A 20 -8.676 18.972 0.200 1.00 0.06 C ATOM 290 C CYS A 20 -8.151 20.308 -0.325 1.00 0.06 C ATOM 291 O CYS A 20 -8.127 21.299 0.377 1.00 0.06 O ATOM 292 CB CYS A 20 -10.075 18.725 -0.356 1.00 0.06 C ATOM 293 SG CYS A 20 -9.943 17.981 -1.996 1.00 0.06 S ATOM 0 H CYS A 20 -9.652 18.835 2.090 1.00 0.06 H new ATOM 0 HA CYS A 20 -8.011 18.168 -0.116 1.00 0.06 H new ATOM 0 HB2 CYS A 20 -10.633 18.067 0.311 1.00 0.06 H new ATOM 0 HB3 CYS A 20 -10.627 19.663 -0.413 1.00 0.06 H new ATOM 298 N ASN A 21 -7.727 20.340 -1.553 1.00 0.41 N ATOM 299 CA ASN A 21 -7.198 21.607 -2.127 1.00 0.41 C ATOM 300 C ASN A 21 -8.275 22.268 -2.987 1.00 0.41 C ATOM 301 O ASN A 21 -8.285 23.485 -3.055 1.00 0.41 O ATOM 302 CB ASN A 21 -5.975 21.296 -2.991 1.00 0.41 C ATOM 303 CG ASN A 21 -5.401 22.598 -3.548 1.00 0.41 C ATOM 304 OD1 ASN A 21 -5.992 23.213 -4.415 1.00 0.41 O ATOM 305 ND2 ASN A 21 -4.267 23.047 -3.084 1.00 0.41 N ATOM 306 OXT ASN A 21 -9.070 21.544 -3.566 1.00 0.41 O ATOM 0 H ASN A 21 -7.723 19.542 -2.188 1.00 0.41 H new ATOM 0 HA ASN A 21 -6.915 22.283 -1.321 1.00 0.41 H new ATOM 0 HB2 ASN A 21 -5.221 20.777 -2.399 1.00 0.41 H new ATOM 0 HB3 ASN A 21 -6.253 20.630 -3.808 1.00 0.41 H new ATOM 0 HD21 ASN A 21 -3.875 23.915 -3.448 1.00 0.41 H new ATOM 0 HD22 ASN A 21 -3.773 22.530 -2.357 1.00 0.41 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 5.391 5.791 17.753 1.00 0.55 N ATOM 315 CA PHE B 1 5.973 6.914 16.963 1.00 0.55 C ATOM 316 C PHE B 1 6.050 6.516 15.487 1.00 0.55 C ATOM 317 O PHE B 1 6.010 7.350 14.602 1.00 0.55 O ATOM 318 CB PHE B 1 7.379 7.225 17.476 1.00 0.55 C ATOM 319 CG PHE B 1 7.941 8.393 16.704 1.00 0.55 C ATOM 320 CD1 PHE B 1 8.564 8.175 15.408 1.00 0.55 C ATOM 321 CD2 PHE B 1 7.858 9.735 17.255 1.00 0.55 C ATOM 322 CE1 PHE B 1 9.105 9.302 14.663 1.00 0.55 C ATOM 323 CE2 PHE B 1 8.397 10.861 16.511 1.00 0.55 C ATOM 324 CZ PHE B 1 9.022 10.645 15.214 1.00 0.55 C ATOM 0 H1 PHE B 1 5.135 6.130 18.702 1.00 0.55 H new ATOM 0 H2 PHE B 1 4.541 5.432 17.272 1.00 0.55 H new ATOM 0 H3 PHE B 1 6.091 5.026 17.836 1.00 0.55 H new ATOM 0 HA PHE B 1 5.341 7.796 17.071 1.00 0.55 H new ATOM 0 HB2 PHE B 1 7.348 7.458 18.540 1.00 0.55 H new ATOM 0 HB3 PHE B 1 8.023 6.353 17.360 1.00 0.55 H new ATOM 0 HD1 PHE B 1 8.625 7.177 14.999 1.00 0.55 H new ATOM 0 HD2 PHE B 1 7.396 9.896 18.218 1.00 0.55 H new ATOM 0 HE1 PHE B 1 9.568 9.141 13.701 1.00 0.55 H new ATOM 0 HE2 PHE B 1 8.334 11.858 16.920 1.00 0.55 H new ATOM 0 HZ PHE B 1 9.424 11.482 14.662 1.00 0.55 H new ATOM 336 N VAL B 2 6.158 5.246 15.214 1.00 0.05 N ATOM 337 CA VAL B 2 6.237 4.792 13.801 1.00 0.05 C ATOM 338 C VAL B 2 4.840 4.807 13.182 1.00 0.05 C ATOM 339 O VAL B 2 4.679 4.964 11.988 1.00 0.05 O ATOM 340 CB VAL B 2 6.789 3.367 13.761 1.00 0.05 C ATOM 341 CG1 VAL B 2 8.185 3.346 14.380 1.00 0.05 C ATOM 342 CG2 VAL B 2 5.869 2.440 14.557 1.00 0.05 C ATOM 0 H VAL B 2 6.195 4.502 15.911 1.00 0.05 H new ATOM 0 HA VAL B 2 6.892 5.458 13.240 1.00 0.05 H new ATOM 0 HB VAL B 2 6.842 3.028 12.727 1.00 0.05 H new ATOM 0 HG11 VAL B 2 8.580 2.330 14.352 1.00 0.05 H new ATOM 0 HG12 VAL B 2 8.843 4.007 13.816 1.00 0.05 H new ATOM 0 HG13 VAL B 2 8.130 3.686 15.414 1.00 0.05 H new ATOM 0 HG21 VAL B 2 6.263 1.424 14.528 1.00 0.05 H new ATOM 0 HG22 VAL B 2 5.817 2.780 15.591 1.00 0.05 H new ATOM 0 HG23 VAL B 2 4.871 2.455 14.119 1.00 0.05 H new ATOM 352 N ASN B 3 3.829 4.630 13.981 1.00 0.23 N ATOM 353 CA ASN B 3 2.439 4.616 13.443 1.00 0.23 C ATOM 354 C ASN B 3 2.178 5.859 12.585 1.00 0.23 C ATOM 355 O ASN B 3 1.583 5.783 11.534 1.00 0.23 O ATOM 356 CB ASN B 3 1.455 4.594 14.611 1.00 0.23 C ATOM 357 CG ASN B 3 0.443 3.470 14.399 1.00 0.23 C ATOM 358 OD1 ASN B 3 0.218 3.043 13.285 1.00 0.23 O ATOM 359 ND2 ASN B 3 -0.179 2.968 15.430 1.00 0.23 N ATOM 0 H ASN B 3 3.903 4.494 14.989 1.00 0.23 H new ATOM 0 HA ASN B 3 2.309 3.730 12.821 1.00 0.23 H new ATOM 0 HB2 ASN B 3 1.990 4.445 15.549 1.00 0.23 H new ATOM 0 HB3 ASN B 3 0.941 5.552 14.686 1.00 0.23 H new ATOM 0 HD21 ASN B 3 -0.855 2.216 15.301 1.00 0.23 H new ATOM 0 HD22 ASN B 3 0.011 3.328 16.365 1.00 0.23 H new ATOM 366 N GLN B 4 2.601 7.003 13.032 1.00 0.24 N ATOM 367 CA GLN B 4 2.357 8.246 12.248 1.00 0.24 C ATOM 368 C GLN B 4 2.957 8.122 10.846 1.00 0.24 C ATOM 369 O GLN B 4 2.272 8.247 9.851 1.00 0.24 O ATOM 370 CB GLN B 4 3.003 9.429 12.969 1.00 0.24 C ATOM 371 CG GLN B 4 2.391 10.732 12.458 1.00 0.24 C ATOM 372 CD GLN B 4 3.063 11.917 13.153 1.00 0.24 C ATOM 373 OE1 GLN B 4 2.637 12.336 14.212 1.00 0.24 O ATOM 374 NE2 GLN B 4 4.104 12.479 12.600 1.00 0.24 N ATOM 0 H GLN B 4 3.107 7.135 13.908 1.00 0.24 H new ATOM 0 HA GLN B 4 1.282 8.401 12.158 1.00 0.24 H new ATOM 0 HB2 GLN B 4 2.851 9.340 14.045 1.00 0.24 H new ATOM 0 HB3 GLN B 4 4.080 9.429 12.798 1.00 0.24 H new ATOM 0 HG2 GLN B 4 2.521 10.808 11.378 1.00 0.24 H new ATOM 0 HG3 GLN B 4 1.318 10.743 12.652 1.00 0.24 H new ATOM 0 HE21 GLN B 4 4.462 12.128 11.712 1.00 0.24 H new ATOM 0 HE22 GLN B 4 4.560 13.269 13.056 1.00 0.24 H new ATOM 383 N HIS B 5 4.237 7.900 10.763 1.00 0.06 N ATOM 384 CA HIS B 5 4.906 7.791 9.433 1.00 0.06 C ATOM 385 C HIS B 5 4.374 6.590 8.645 1.00 0.06 C ATOM 386 O HIS B 5 4.636 6.456 7.467 1.00 0.06 O ATOM 387 CB HIS B 5 6.408 7.621 9.650 1.00 0.06 C ATOM 388 CG HIS B 5 7.138 7.904 8.369 1.00 0.06 C ATOM 389 ND1 HIS B 5 7.903 9.047 8.193 1.00 0.06 N ATOM 390 CD2 HIS B 5 7.241 7.198 7.197 1.00 0.06 C ATOM 391 CE1 HIS B 5 8.428 8.996 6.956 1.00 0.06 C ATOM 392 NE2 HIS B 5 8.055 7.889 6.305 1.00 0.06 N ATOM 0 H HIS B 5 4.857 7.788 11.565 1.00 0.06 H new ATOM 0 HA HIS B 5 4.699 8.696 8.862 1.00 0.06 H new ATOM 0 HB2 HIS B 5 6.751 8.297 10.433 1.00 0.06 H new ATOM 0 HB3 HIS B 5 6.624 6.607 9.987 1.00 0.06 H new ATOM 0 HD1 HIS B 5 8.042 9.791 8.877 1.00 0.06 H new ATOM 0 HD2 HIS B 5 6.763 6.250 6.997 1.00 0.06 H new ATOM 0 HE1 HIS B 5 9.072 9.756 6.539 1.00 0.06 H new ATOM 400 N LEU B 6 3.644 5.709 9.272 1.00 0.04 N ATOM 401 CA LEU B 6 3.122 4.525 8.535 1.00 0.04 C ATOM 402 C LEU B 6 1.640 4.720 8.211 1.00 0.04 C ATOM 403 O LEU B 6 1.230 4.607 7.073 1.00 0.04 O ATOM 404 CB LEU B 6 3.307 3.276 9.395 1.00 0.04 C ATOM 405 CG LEU B 6 4.789 3.123 9.744 1.00 0.04 C ATOM 406 CD1 LEU B 6 4.946 2.134 10.902 1.00 0.04 C ATOM 407 CD2 LEU B 6 5.547 2.601 8.521 1.00 0.04 C ATOM 0 H LEU B 6 3.388 5.758 10.258 1.00 0.04 H new ATOM 0 HA LEU B 6 3.671 4.409 7.601 1.00 0.04 H new ATOM 0 HB2 LEU B 6 2.713 3.355 10.305 1.00 0.04 H new ATOM 0 HB3 LEU B 6 2.954 2.395 8.859 1.00 0.04 H new ATOM 0 HG LEU B 6 5.194 4.091 10.039 1.00 0.04 H new ATOM 0 HD11 LEU B 6 6.002 2.027 11.148 1.00 0.04 H new ATOM 0 HD12 LEU B 6 4.406 2.505 11.773 1.00 0.04 H new ATOM 0 HD13 LEU B 6 4.542 1.165 10.610 1.00 0.04 H new ATOM 0 HD21 LEU B 6 6.603 2.491 8.767 1.00 0.04 H new ATOM 0 HD22 LEU B 6 5.140 1.633 8.227 1.00 0.04 H new ATOM 0 HD23 LEU B 6 5.438 3.306 7.697 1.00 0.04 H new ATOM 419 N CYS B 7 0.825 5.004 9.195 1.00 0.02 N ATOM 420 CA CYS B 7 -0.624 5.194 8.912 1.00 0.02 C ATOM 421 C CYS B 7 -0.811 6.408 7.997 1.00 0.02 C ATOM 422 O CYS B 7 -1.684 6.430 7.152 1.00 0.02 O ATOM 423 CB CYS B 7 -1.413 5.367 10.227 1.00 0.02 C ATOM 424 SG CYS B 7 -1.035 6.948 11.040 1.00 0.02 S ATOM 0 H CYS B 7 1.099 5.111 10.172 1.00 0.02 H new ATOM 0 HA CYS B 7 -1.011 4.310 8.406 1.00 0.02 H new ATOM 0 HB2 CYS B 7 -2.482 5.312 10.019 1.00 0.02 H new ATOM 0 HB3 CYS B 7 -1.177 4.545 10.903 1.00 0.02 H new ATOM 429 N GLY B 8 0.011 7.412 8.148 1.00 0.00 N ATOM 430 CA GLY B 8 -0.115 8.620 7.280 1.00 0.00 C ATOM 431 C GLY B 8 -0.070 8.200 5.809 1.00 0.00 C ATOM 432 O GLY B 8 -0.616 8.857 4.946 1.00 0.00 O ATOM 0 H GLY B 8 0.764 7.448 8.835 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -1.050 9.138 7.493 1.00 0.00 H new ATOM 0 HA3 GLY B 8 0.692 9.320 7.494 1.00 0.00 H new ATOM 436 N SER B 9 0.575 7.104 5.524 1.00 0.00 N ATOM 437 CA SER B 9 0.661 6.631 4.114 1.00 0.00 C ATOM 438 C SER B 9 -0.730 6.235 3.618 1.00 0.00 C ATOM 439 O SER B 9 -1.031 6.327 2.444 1.00 0.00 O ATOM 440 CB SER B 9 1.586 5.415 4.049 1.00 0.00 C ATOM 441 OG SER B 9 2.576 5.633 3.053 1.00 0.00 O ATOM 0 H SER B 9 1.048 6.514 6.208 1.00 0.00 H new ATOM 0 HA SER B 9 1.054 7.430 3.485 1.00 0.00 H new ATOM 0 HB2 SER B 9 2.058 5.250 5.018 1.00 0.00 H new ATOM 0 HB3 SER B 9 1.011 4.518 3.817 1.00 0.00 H new ATOM 0 HG SER B 9 3.322 6.139 3.438 1.00 0.00 H new ATOM 447 N HIS B 10 -1.579 5.789 4.499 1.00 0.03 N ATOM 448 CA HIS B 10 -2.947 5.381 4.074 1.00 0.03 C ATOM 449 C HIS B 10 -3.887 6.581 4.130 1.00 0.03 C ATOM 450 O HIS B 10 -4.866 6.646 3.414 1.00 0.03 O ATOM 451 CB HIS B 10 -3.462 4.290 5.012 1.00 0.03 C ATOM 452 CG HIS B 10 -2.674 3.028 4.795 1.00 0.03 C ATOM 453 ND1 HIS B 10 -1.814 2.868 3.716 1.00 0.03 N ATOM 454 CD2 HIS B 10 -2.603 1.855 5.509 1.00 0.03 C ATOM 455 CE1 HIS B 10 -1.270 1.640 3.812 1.00 0.03 C ATOM 456 NE2 HIS B 10 -1.717 0.980 4.886 1.00 0.03 N ATOM 0 H HIS B 10 -1.386 5.689 5.496 1.00 0.03 H new ATOM 0 HA HIS B 10 -2.909 5.003 3.053 1.00 0.03 H new ATOM 0 HB2 HIS B 10 -3.371 4.614 6.049 1.00 0.03 H new ATOM 0 HB3 HIS B 10 -4.520 4.107 4.827 1.00 0.03 H new ATOM 0 HD1 HIS B 10 -1.629 3.555 2.985 1.00 0.03 H new ATOM 0 HD2 HIS B 10 -3.151 1.644 6.415 1.00 0.03 H new ATOM 0 HE1 HIS B 10 -0.558 1.237 3.107 1.00 0.03 H new ATOM 464 N LEU B 11 -3.597 7.536 4.968 1.00 0.00 N ATOM 465 CA LEU B 11 -4.480 8.732 5.058 1.00 0.00 C ATOM 466 C LEU B 11 -4.487 9.423 3.698 1.00 0.00 C ATOM 467 O LEU B 11 -5.509 9.861 3.211 1.00 0.00 O ATOM 468 CB LEU B 11 -3.950 9.709 6.116 1.00 0.00 C ATOM 469 CG LEU B 11 -3.635 8.983 7.431 1.00 0.00 C ATOM 470 CD1 LEU B 11 -3.246 10.012 8.490 1.00 0.00 C ATOM 471 CD2 LEU B 11 -4.864 8.209 7.909 1.00 0.00 C ATOM 0 H LEU B 11 -2.790 7.541 5.592 1.00 0.00 H new ATOM 0 HA LEU B 11 -5.486 8.423 5.341 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -3.051 10.200 5.744 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -4.688 10.490 6.296 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.814 8.285 7.268 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -3.021 9.503 9.427 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -2.367 10.563 8.156 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -4.072 10.706 8.644 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -4.631 7.697 8.843 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -5.690 8.902 8.071 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -5.148 7.476 7.154 1.00 0.00 H new ATOM 483 N VAL B 12 -3.341 9.524 3.092 1.00 0.01 N ATOM 484 CA VAL B 12 -3.242 10.188 1.761 1.00 0.01 C ATOM 485 C VAL B 12 -4.037 9.397 0.723 1.00 0.01 C ATOM 486 O VAL B 12 -4.649 9.958 -0.163 1.00 0.01 O ATOM 487 CB VAL B 12 -1.774 10.272 1.333 1.00 0.01 C ATOM 488 CG1 VAL B 12 -1.041 11.263 2.237 1.00 0.01 C ATOM 489 CG2 VAL B 12 -1.111 8.895 1.451 1.00 0.01 C ATOM 0 H VAL B 12 -2.458 9.172 3.463 1.00 0.01 H new ATOM 0 HA VAL B 12 -3.654 11.194 1.834 1.00 0.01 H new ATOM 0 HB VAL B 12 -1.723 10.605 0.296 1.00 0.01 H new ATOM 0 HG11 VAL B 12 0.005 11.326 1.936 1.00 0.01 H new ATOM 0 HG12 VAL B 12 -1.503 12.246 2.149 1.00 0.01 H new ATOM 0 HG13 VAL B 12 -1.101 10.925 3.271 1.00 0.01 H new ATOM 0 HG21 VAL B 12 -0.067 8.966 1.144 1.00 0.01 H new ATOM 0 HG22 VAL B 12 -1.163 8.554 2.485 1.00 0.01 H new ATOM 0 HG23 VAL B 12 -1.631 8.185 0.808 1.00 0.01 H new ATOM 499 N GLU B 13 -4.044 8.099 0.824 1.00 0.05 N ATOM 500 CA GLU B 13 -4.812 7.286 -0.159 1.00 0.05 C ATOM 501 C GLU B 13 -6.278 7.715 -0.116 1.00 0.05 C ATOM 502 O GLU B 13 -6.923 7.877 -1.131 1.00 0.05 O ATOM 503 CB GLU B 13 -4.700 5.805 0.206 1.00 0.05 C ATOM 504 CG GLU B 13 -3.264 5.333 -0.028 1.00 0.05 C ATOM 505 CD GLU B 13 -3.274 4.085 -0.914 1.00 0.05 C ATOM 506 OE1 GLU B 13 -4.121 4.012 -1.793 1.00 0.05 O ATOM 507 OE2 GLU B 13 -2.435 3.225 -0.699 1.00 0.05 O ATOM 0 H GLU B 13 -3.553 7.566 1.542 1.00 0.05 H new ATOM 0 HA GLU B 13 -4.412 7.439 -1.161 1.00 0.05 H new ATOM 0 HB2 GLU B 13 -4.979 5.654 1.249 1.00 0.05 H new ATOM 0 HB3 GLU B 13 -5.391 5.217 -0.398 1.00 0.05 H new ATOM 0 HG2 GLU B 13 -2.683 6.124 -0.502 1.00 0.05 H new ATOM 0 HG3 GLU B 13 -2.783 5.112 0.925 1.00 0.05 H new ATOM 514 N ALA B 14 -6.807 7.907 1.057 1.00 0.01 N ATOM 515 CA ALA B 14 -8.225 8.335 1.169 1.00 0.01 C ATOM 516 C ALA B 14 -8.343 9.807 0.785 1.00 0.01 C ATOM 517 O ALA B 14 -9.304 10.227 0.176 1.00 0.01 O ATOM 518 CB ALA B 14 -8.691 8.158 2.610 1.00 0.01 C ATOM 0 H ALA B 14 -6.318 7.786 1.944 1.00 0.01 H new ATOM 0 HA ALA B 14 -8.841 7.731 0.503 1.00 0.01 H new ATOM 0 HB1 ALA B 14 -9.731 8.471 2.697 1.00 0.01 H new ATOM 0 HB2 ALA B 14 -8.602 7.110 2.895 1.00 0.01 H new ATOM 0 HB3 ALA B 14 -8.073 8.767 3.270 1.00 0.01 H new ATOM 524 N LEU B 15 -7.372 10.596 1.149 1.00 0.00 N ATOM 525 CA LEU B 15 -7.427 12.045 0.824 1.00 0.00 C ATOM 526 C LEU B 15 -7.588 12.248 -0.682 1.00 0.00 C ATOM 527 O LEU B 15 -8.593 12.762 -1.133 1.00 0.00 O ATOM 528 CB LEU B 15 -6.139 12.725 1.286 1.00 0.00 C ATOM 529 CG LEU B 15 -6.211 13.003 2.788 1.00 0.00 C ATOM 530 CD1 LEU B 15 -4.901 13.637 3.254 1.00 0.00 C ATOM 531 CD2 LEU B 15 -7.363 13.960 3.077 1.00 0.00 C ATOM 0 H LEU B 15 -6.541 10.298 1.659 1.00 0.00 H new ATOM 0 HA LEU B 15 -8.283 12.484 1.337 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -5.282 12.089 1.065 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -5.993 13.657 0.741 1.00 0.00 H new ATOM 0 HG LEU B 15 -6.373 12.065 3.320 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -4.953 13.835 4.325 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -4.075 12.956 3.051 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -4.740 14.573 2.720 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -7.413 14.157 4.148 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -7.201 14.896 2.543 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -8.300 13.512 2.747 1.00 0.00 H new ATOM 543 N TYR B 16 -6.605 11.882 -1.468 1.00 0.02 N ATOM 544 CA TYR B 16 -6.732 12.103 -2.940 1.00 0.02 C ATOM 545 C TYR B 16 -7.856 11.235 -3.526 1.00 0.02 C ATOM 546 O TYR B 16 -8.284 11.449 -4.645 1.00 0.02 O ATOM 547 CB TYR B 16 -5.372 11.885 -3.644 1.00 0.02 C ATOM 548 CG TYR B 16 -5.079 10.436 -3.952 1.00 0.02 C ATOM 549 CD1 TYR B 16 -5.588 9.376 -3.100 1.00 0.02 C ATOM 550 CD2 TYR B 16 -4.258 10.114 -5.108 1.00 0.02 C ATOM 551 CE1 TYR B 16 -5.274 7.986 -3.406 1.00 0.02 C ATOM 552 CE2 TYR B 16 -3.948 8.730 -5.415 1.00 0.02 C ATOM 553 CZ TYR B 16 -4.453 7.663 -4.565 1.00 0.02 C ATOM 554 OH TYR B 16 -4.155 6.346 -4.857 1.00 0.02 O ATOM 0 H TYR B 16 -5.735 11.447 -1.160 1.00 0.02 H new ATOM 0 HA TYR B 16 -7.015 13.140 -3.121 1.00 0.02 H new ATOM 0 HB2 TYR B 16 -5.357 12.456 -4.572 1.00 0.02 H new ATOM 0 HB3 TYR B 16 -4.577 12.282 -3.013 1.00 0.02 H new ATOM 0 HD1 TYR B 16 -6.198 9.617 -2.242 1.00 0.02 H new ATOM 0 HD2 TYR B 16 -3.879 10.905 -5.738 1.00 0.02 H new ATOM 0 HE1 TYR B 16 -5.650 7.196 -2.773 1.00 0.02 H new ATOM 0 HE2 TYR B 16 -3.341 8.492 -6.276 1.00 0.02 H new ATOM 0 HH TYR B 16 -4.339 6.171 -5.804 1.00 0.02 H new ATOM 564 N LEU B 17 -8.382 10.303 -2.770 1.00 0.10 N ATOM 565 CA LEU B 17 -9.514 9.496 -3.290 1.00 0.10 C ATOM 566 C LEU B 17 -10.778 10.332 -3.101 1.00 0.10 C ATOM 567 O LEU B 17 -11.598 10.463 -3.987 1.00 0.10 O ATOM 568 CB LEU B 17 -9.632 8.192 -2.507 1.00 0.10 C ATOM 569 CG LEU B 17 -10.741 7.342 -3.119 1.00 0.10 C ATOM 570 CD1 LEU B 17 -10.134 6.355 -4.117 1.00 0.10 C ATOM 571 CD2 LEU B 17 -11.456 6.570 -2.011 1.00 0.10 C ATOM 0 H LEU B 17 -8.076 10.072 -1.825 1.00 0.10 H new ATOM 0 HA LEU B 17 -9.363 9.245 -4.340 1.00 0.10 H new ATOM 0 HB2 LEU B 17 -8.686 7.651 -2.532 1.00 0.10 H new ATOM 0 HB3 LEU B 17 -9.852 8.400 -1.460 1.00 0.10 H new ATOM 0 HG LEU B 17 -11.454 7.987 -3.634 1.00 0.10 H new ATOM 0 HD11 LEU B 17 -10.926 5.747 -4.555 1.00 0.10 H new ATOM 0 HD12 LEU B 17 -9.620 6.905 -4.906 1.00 0.10 H new ATOM 0 HD13 LEU B 17 -9.423 5.709 -3.603 1.00 0.10 H new ATOM 0 HD21 LEU B 17 -12.249 5.961 -2.445 1.00 0.10 H new ATOM 0 HD22 LEU B 17 -10.743 5.924 -1.499 1.00 0.10 H new ATOM 0 HD23 LEU B 17 -11.887 7.273 -1.298 1.00 0.10 H new ATOM 583 N VAL B 18 -10.915 10.933 -1.948 1.00 0.13 N ATOM 584 CA VAL B 18 -12.093 11.799 -1.683 1.00 0.13 C ATOM 585 C VAL B 18 -11.976 13.045 -2.555 1.00 0.13 C ATOM 586 O VAL B 18 -12.935 13.505 -3.141 1.00 0.13 O ATOM 587 CB VAL B 18 -12.095 12.217 -0.210 1.00 0.13 C ATOM 588 CG1 VAL B 18 -13.279 13.147 0.062 1.00 0.13 C ATOM 589 CG2 VAL B 18 -12.214 10.972 0.672 1.00 0.13 C ATOM 0 H VAL B 18 -10.254 10.858 -1.175 1.00 0.13 H new ATOM 0 HA VAL B 18 -13.014 11.261 -1.908 1.00 0.13 H new ATOM 0 HB VAL B 18 -11.166 12.740 0.017 1.00 0.13 H new ATOM 0 HG11 VAL B 18 -13.276 13.442 1.111 1.00 0.13 H new ATOM 0 HG12 VAL B 18 -13.196 14.035 -0.565 1.00 0.13 H new ATOM 0 HG13 VAL B 18 -14.210 12.628 -0.167 1.00 0.13 H new ATOM 0 HG21 VAL B 18 -12.216 11.268 1.721 1.00 0.13 H new ATOM 0 HG22 VAL B 18 -13.142 10.450 0.441 1.00 0.13 H new ATOM 0 HG23 VAL B 18 -11.369 10.310 0.483 1.00 0.13 H new ATOM 599 N CYS B 19 -10.799 13.591 -2.646 1.00 0.05 N ATOM 600 CA CYS B 19 -10.599 14.805 -3.479 1.00 0.05 C ATOM 601 C CYS B 19 -10.764 14.435 -4.951 1.00 0.05 C ATOM 602 O CYS B 19 -11.102 15.261 -5.776 1.00 0.05 O ATOM 603 CB CYS B 19 -9.188 15.343 -3.248 1.00 0.05 C ATOM 604 SG CYS B 19 -9.118 16.173 -1.643 1.00 0.05 S ATOM 0 H CYS B 19 -9.962 13.246 -2.176 1.00 0.05 H new ATOM 0 HA CYS B 19 -11.331 15.565 -3.208 1.00 0.05 H new ATOM 0 HB2 CYS B 19 -8.466 14.527 -3.280 1.00 0.05 H new ATOM 0 HB3 CYS B 19 -8.918 16.039 -4.042 1.00 0.05 H new ATOM 609 N GLY B 20 -10.528 13.198 -5.289 1.00 0.15 N ATOM 610 CA GLY B 20 -10.670 12.776 -6.706 1.00 0.15 C ATOM 611 C GLY B 20 -9.556 13.405 -7.538 1.00 0.15 C ATOM 612 O GLY B 20 -8.434 12.941 -7.541 1.00 0.15 O ATOM 0 H GLY B 20 -10.243 12.462 -4.643 1.00 0.15 H new ATOM 0 HA2 GLY B 20 -10.624 11.689 -6.779 1.00 0.15 H new ATOM 0 HA3 GLY B 20 -11.643 13.081 -7.092 1.00 0.15 H new ATOM 616 N GLU B 21 -9.853 14.456 -8.242 1.00 0.43 N ATOM 617 CA GLU B 21 -8.806 15.108 -9.071 1.00 0.43 C ATOM 618 C GLU B 21 -8.206 16.281 -8.302 1.00 0.43 C ATOM 619 O GLU B 21 -7.087 16.684 -8.543 1.00 0.43 O ATOM 620 CB GLU B 21 -9.434 15.617 -10.368 1.00 0.43 C ATOM 621 CG GLU B 21 -9.988 14.430 -11.161 1.00 0.43 C ATOM 622 CD GLU B 21 -11.080 14.919 -12.116 1.00 0.43 C ATOM 623 OE1 GLU B 21 -10.734 15.527 -13.119 1.00 0.43 O ATOM 624 OE2 GLU B 21 -12.243 14.677 -11.829 1.00 0.43 O ATOM 0 H GLU B 21 -10.774 14.892 -8.280 1.00 0.43 H new ATOM 0 HA GLU B 21 -8.022 14.388 -9.303 1.00 0.43 H new ATOM 0 HB2 GLU B 21 -10.232 16.325 -10.146 1.00 0.43 H new ATOM 0 HB3 GLU B 21 -8.691 16.150 -10.961 1.00 0.43 H new ATOM 0 HG2 GLU B 21 -9.187 13.949 -11.723 1.00 0.43 H new ATOM 0 HG3 GLU B 21 -10.394 13.682 -10.480 1.00 0.43 H new ATOM 631 N ARG B 22 -8.939 16.834 -7.376 1.00 0.33 N ATOM 632 CA ARG B 22 -8.402 17.984 -6.597 1.00 0.33 C ATOM 633 C ARG B 22 -7.136 17.544 -5.861 1.00 0.33 C ATOM 634 O ARG B 22 -6.908 16.369 -5.646 1.00 0.33 O ATOM 635 CB ARG B 22 -9.448 18.459 -5.583 1.00 0.33 C ATOM 636 CG ARG B 22 -10.819 18.548 -6.259 1.00 0.33 C ATOM 637 CD ARG B 22 -11.434 19.926 -6.007 1.00 0.33 C ATOM 638 NE ARG B 22 -12.539 19.799 -5.019 1.00 0.33 N ATOM 639 CZ ARG B 22 -12.369 20.219 -3.794 1.00 0.33 C ATOM 640 NH1 ARG B 22 -11.903 21.421 -3.575 1.00 0.33 N ATOM 641 NH2 ARG B 22 -12.664 19.437 -2.788 1.00 0.33 N ATOM 0 H ARG B 22 -9.883 16.541 -7.126 1.00 0.33 H new ATOM 0 HA ARG B 22 -8.167 18.804 -7.275 1.00 0.33 H new ATOM 0 HB2 ARG B 22 -9.491 17.769 -4.740 1.00 0.33 H new ATOM 0 HB3 ARG B 22 -9.165 19.433 -5.183 1.00 0.33 H new ATOM 0 HG2 ARG B 22 -10.718 18.375 -7.330 1.00 0.33 H new ATOM 0 HG3 ARG B 22 -11.477 17.770 -5.871 1.00 0.33 H new ATOM 0 HD2 ARG B 22 -10.674 20.613 -5.634 1.00 0.33 H new ATOM 0 HD3 ARG B 22 -11.811 20.344 -6.940 1.00 0.33 H new ATOM 0 HE ARG B 22 -13.428 19.384 -5.298 1.00 0.33 H new ATOM 0 HH11 ARG B 22 -11.673 22.030 -4.360 1.00 0.33 H new ATOM 0 HH12 ARG B 22 -11.770 21.750 -2.619 1.00 0.33 H new ATOM 0 HH21 ARG B 22 -13.027 18.499 -2.960 1.00 0.33 H new ATOM 0 HH22 ARG B 22 -12.531 19.765 -1.831 1.00 0.33 H new ATOM 655 N GLY B 23 -6.310 18.473 -5.475 1.00 0.01 N ATOM 656 CA GLY B 23 -5.060 18.105 -4.756 1.00 0.01 C ATOM 657 C GLY B 23 -5.259 18.280 -3.257 1.00 0.01 C ATOM 658 O GLY B 23 -6.322 18.648 -2.804 1.00 0.01 O ATOM 0 H GLY B 23 -6.446 19.473 -5.626 1.00 0.01 H new ATOM 0 HA2 GLY B 23 -4.792 17.072 -4.979 1.00 0.01 H new ATOM 0 HA3 GLY B 23 -4.235 18.730 -5.098 1.00 0.01 H new ATOM 662 N PHE B 24 -4.247 18.021 -2.478 1.00 0.01 N ATOM 663 CA PHE B 24 -4.389 18.179 -1.008 1.00 0.01 C ATOM 664 C PHE B 24 -3.014 18.419 -0.387 1.00 0.01 C ATOM 665 O PHE B 24 -2.020 17.886 -0.838 1.00 0.01 O ATOM 666 CB PHE B 24 -5.037 16.919 -0.412 1.00 0.01 C ATOM 667 CG PHE B 24 -4.126 15.722 -0.568 1.00 0.01 C ATOM 668 CD1 PHE B 24 -3.996 15.065 -1.858 1.00 0.01 C ATOM 669 CD2 PHE B 24 -3.377 15.231 0.578 1.00 0.01 C ATOM 670 CE1 PHE B 24 -3.116 13.913 -2.000 1.00 0.01 C ATOM 671 CE2 PHE B 24 -2.499 14.080 0.435 1.00 0.01 C ATOM 672 CZ PHE B 24 -2.370 13.422 -0.855 1.00 0.01 C ATOM 0 H PHE B 24 -3.330 17.707 -2.796 1.00 0.01 H new ATOM 0 HA PHE B 24 -5.028 19.035 -0.790 1.00 0.01 H new ATOM 0 HB2 PHE B 24 -5.255 17.081 0.644 1.00 0.01 H new ATOM 0 HB3 PHE B 24 -5.988 16.725 -0.907 1.00 0.01 H new ATOM 0 HD1 PHE B 24 -4.551 15.430 -2.710 1.00 0.01 H new ATOM 0 HD2 PHE B 24 -3.473 15.721 1.536 1.00 0.01 H new ATOM 0 HE1 PHE B 24 -3.018 13.424 -2.958 1.00 0.01 H new ATOM 0 HE2 PHE B 24 -1.944 13.715 1.286 1.00 0.01 H new ATOM 0 HZ PHE B 24 -1.719 12.567 -0.962 1.00 0.01 H new ATOM 682 N PHE B 25 -2.951 19.203 0.647 1.00 0.32 N ATOM 683 CA PHE B 25 -1.635 19.458 1.296 1.00 0.32 C ATOM 684 C PHE B 25 -1.488 18.536 2.505 1.00 0.32 C ATOM 685 O PHE B 25 -2.275 18.573 3.428 1.00 0.32 O ATOM 686 CB PHE B 25 -1.519 20.922 1.738 1.00 0.32 C ATOM 687 CG PHE B 25 -2.809 21.378 2.367 1.00 0.32 C ATOM 688 CD1 PHE B 25 -3.042 21.174 3.788 1.00 0.32 C ATOM 689 CD2 PHE B 25 -3.824 22.020 1.548 1.00 0.32 C ATOM 690 CE1 PHE B 25 -4.292 21.611 4.390 1.00 0.32 C ATOM 691 CE2 PHE B 25 -5.074 22.457 2.149 1.00 0.32 C ATOM 692 CZ PHE B 25 -5.309 22.253 3.571 1.00 0.32 C ATOM 0 H PHE B 25 -3.748 19.678 1.071 1.00 0.32 H new ATOM 0 HA PHE B 25 -0.841 19.257 0.577 1.00 0.32 H new ATOM 0 HB2 PHE B 25 -0.700 21.031 2.449 1.00 0.32 H new ATOM 0 HB3 PHE B 25 -1.282 21.551 0.880 1.00 0.32 H new ATOM 0 HD1 PHE B 25 -2.287 20.698 4.396 1.00 0.32 H new ATOM 0 HD2 PHE B 25 -3.650 22.172 0.493 1.00 0.32 H new ATOM 0 HE1 PHE B 25 -4.465 21.459 5.445 1.00 0.32 H new ATOM 0 HE2 PHE B 25 -5.828 22.933 1.540 1.00 0.32 H new ATOM 0 HZ PHE B 25 -6.237 22.578 4.018 1.00 0.32 H new ATOM 702 N TYR B 26 -0.490 17.699 2.498 1.00 0.00 N ATOM 703 CA TYR B 26 -0.287 16.761 3.632 1.00 0.00 C ATOM 704 C TYR B 26 0.928 17.197 4.450 1.00 0.00 C ATOM 705 O TYR B 26 2.050 17.149 3.990 1.00 0.00 O ATOM 706 CB TYR B 26 -0.051 15.360 3.079 1.00 0.00 C ATOM 707 CG TYR B 26 -0.038 14.359 4.205 1.00 0.00 C ATOM 708 CD1 TYR B 26 -1.288 13.801 4.695 1.00 0.00 C ATOM 709 CD2 TYR B 26 1.224 13.946 4.796 1.00 0.00 C ATOM 710 CE1 TYR B 26 -1.274 12.827 5.777 1.00 0.00 C ATOM 711 CE2 TYR B 26 1.238 12.974 5.878 1.00 0.00 C ATOM 712 CZ TYR B 26 -0.011 12.414 6.367 1.00 0.00 C ATOM 713 OH TYR B 26 0.003 11.491 7.391 1.00 0.00 O ATOM 0 H TYR B 26 0.198 17.625 1.749 1.00 0.00 H new ATOM 0 HA TYR B 26 -1.169 16.763 4.273 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -0.833 15.106 2.364 1.00 0.00 H new ATOM 0 HB3 TYR B 26 0.896 15.327 2.541 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -2.226 14.109 4.257 1.00 0.00 H new ATOM 0 HD2 TYR B 26 2.152 14.361 4.432 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -2.202 12.411 6.141 1.00 0.00 H new ATOM 0 HE2 TYR B 26 2.176 12.669 6.318 1.00 0.00 H new ATOM 0 HH TYR B 26 0.772 11.661 7.974 1.00 0.00 H new ATOM 723 N THR B 27 0.715 17.618 5.661 1.00 0.21 N ATOM 724 CA THR B 27 1.851 18.050 6.513 1.00 0.21 C ATOM 725 C THR B 27 1.833 17.240 7.823 1.00 0.21 C ATOM 726 O THR B 27 1.052 17.545 8.699 1.00 0.21 O ATOM 727 CB THR B 27 1.712 19.539 6.827 1.00 0.21 C ATOM 728 OG1 THR B 27 1.587 20.265 5.613 1.00 0.21 O ATOM 729 CG2 THR B 27 2.948 20.020 7.583 1.00 0.21 C ATOM 0 H THR B 27 -0.203 17.682 6.100 1.00 0.21 H new ATOM 0 HA THR B 27 2.792 17.879 5.990 1.00 0.21 H new ATOM 0 HB THR B 27 0.827 19.700 7.443 1.00 0.21 H new ATOM 0 HG1 THR B 27 1.496 21.220 5.811 1.00 0.21 H new ATOM 0 HG21 THR B 27 2.847 21.082 7.806 1.00 0.21 H new ATOM 0 HG22 THR B 27 3.046 19.461 8.514 1.00 0.21 H new ATOM 0 HG23 THR B 27 3.835 19.861 6.969 1.00 0.21 H new ATOM 737 N PRO B 28 2.677 16.220 7.940 1.00 0.04 N ATOM 738 CA PRO B 28 2.712 15.389 9.155 1.00 0.04 C ATOM 739 C PRO B 28 3.447 16.112 10.287 1.00 0.04 C ATOM 740 O PRO B 28 3.313 15.766 11.444 1.00 0.04 O ATOM 741 CB PRO B 28 3.466 14.130 8.720 1.00 0.04 C ATOM 742 CG PRO B 28 4.301 14.523 7.482 1.00 0.04 C ATOM 743 CD PRO B 28 3.668 15.801 6.912 1.00 0.04 C ATOM 0 HA PRO B 28 1.718 15.165 9.543 1.00 0.04 H new ATOM 0 HB2 PRO B 28 4.109 13.767 9.522 1.00 0.04 H new ATOM 0 HB3 PRO B 28 2.771 13.326 8.479 1.00 0.04 H new ATOM 0 HG2 PRO B 28 5.342 14.695 7.756 1.00 0.04 H new ATOM 0 HG3 PRO B 28 4.294 13.724 6.741 1.00 0.04 H new ATOM 0 HD2 PRO B 28 4.418 16.575 6.746 1.00 0.04 H new ATOM 0 HD3 PRO B 28 3.187 15.611 5.952 1.00 0.04 H new ATOM 751 N LYS B 29 4.215 17.119 9.972 1.00 0.42 N ATOM 752 CA LYS B 29 4.938 17.855 11.043 1.00 0.42 C ATOM 753 C LYS B 29 3.925 18.639 11.878 1.00 0.42 C ATOM 754 O LYS B 29 3.812 19.846 11.767 1.00 0.42 O ATOM 755 CB LYS B 29 5.946 18.823 10.416 1.00 0.42 C ATOM 756 CG LYS B 29 7.248 18.792 11.222 1.00 0.42 C ATOM 757 CD LYS B 29 7.070 19.594 12.513 1.00 0.42 C ATOM 758 CE LYS B 29 7.033 21.090 12.182 1.00 0.42 C ATOM 759 NZ LYS B 29 8.141 21.784 12.900 1.00 0.42 N ATOM 0 H LYS B 29 4.372 17.461 9.024 1.00 0.42 H new ATOM 0 HA LYS B 29 5.472 17.148 11.678 1.00 0.42 H new ATOM 0 HB2 LYS B 29 6.140 18.544 9.380 1.00 0.42 H new ATOM 0 HB3 LYS B 29 5.537 19.833 10.403 1.00 0.42 H new ATOM 0 HG2 LYS B 29 7.519 17.762 11.456 1.00 0.42 H new ATOM 0 HG3 LYS B 29 8.063 19.210 10.632 1.00 0.42 H new ATOM 0 HD2 LYS B 29 6.148 19.298 13.014 1.00 0.42 H new ATOM 0 HD3 LYS B 29 7.888 19.383 13.201 1.00 0.42 H new ATOM 0 HE2 LYS B 29 7.133 21.238 11.107 1.00 0.42 H new ATOM 0 HE3 LYS B 29 6.073 21.515 12.475 1.00 0.42 H new ATOM 0 HZ1 LYS B 29 8.117 22.799 12.676 1.00 0.42 H new ATOM 0 HZ2 LYS B 29 8.026 21.652 13.925 1.00 0.42 H new ATOM 0 HZ3 LYS B 29 9.053 21.385 12.600 1.00 0.42 H new ATOM 773 N THR B 30 3.181 17.962 12.711 1.00 0.41 N ATOM 774 CA THR B 30 2.171 18.670 13.552 1.00 0.41 C ATOM 775 C THR B 30 2.887 19.501 14.624 1.00 0.41 C ATOM 776 O THR B 30 3.329 18.916 15.602 1.00 0.41 O ATOM 777 CB THR B 30 1.254 17.643 14.228 1.00 0.41 C ATOM 778 OG1 THR B 30 0.709 16.774 13.243 1.00 0.41 O ATOM 779 CG2 THR B 30 0.120 18.370 14.955 1.00 0.41 C ATOM 780 OXT THR B 30 2.983 20.708 14.447 1.00 0.41 O ATOM 0 H THR B 30 3.228 16.952 12.846 1.00 0.41 H new ATOM 0 HA THR B 30 1.574 19.329 12.921 1.00 0.41 H new ATOM 0 HB THR B 30 1.829 17.060 14.947 1.00 0.41 H new ATOM 0 HG1 THR B 30 0.124 16.116 13.674 1.00 0.41 H new ATOM 0 HG21 THR B 30 -0.531 17.640 15.435 1.00 0.41 H new ATOM 0 HG22 THR B 30 0.539 19.035 15.710 1.00 0.41 H new ATOM 0 HG23 THR B 30 -0.457 18.954 14.238 1.00 0.41 H new TER 788 THR B 30 ATOM 789 N GLY C 1 2.627 17.786 -14.019 1.00 0.30 N ATOM 790 CA GLY C 1 3.323 18.652 -13.022 1.00 0.30 C ATOM 791 C GLY C 1 4.199 17.784 -12.116 1.00 0.30 C ATOM 792 O GLY C 1 5.413 17.804 -12.204 1.00 0.30 O ATOM 0 H1 GLY C 1 2.405 18.344 -14.868 1.00 0.30 H new ATOM 0 H2 GLY C 1 3.245 16.991 -14.279 1.00 0.30 H new ATOM 0 H3 GLY C 1 1.746 17.419 -13.605 1.00 0.30 H new ATOM 0 HA2 GLY C 1 3.935 19.395 -13.534 1.00 0.30 H new ATOM 0 HA3 GLY C 1 2.592 19.197 -12.425 1.00 0.30 H new ATOM 798 N ILE C 2 3.595 17.019 -11.248 1.00 0.03 N ATOM 799 CA ILE C 2 4.393 16.148 -10.342 1.00 0.03 C ATOM 800 C ILE C 2 4.021 14.689 -10.597 1.00 0.03 C ATOM 801 O ILE C 2 4.856 13.807 -10.564 1.00 0.03 O ATOM 802 CB ILE C 2 4.085 16.504 -8.887 1.00 0.03 C ATOM 803 CG1 ILE C 2 4.898 15.598 -7.960 1.00 0.03 C ATOM 804 CG2 ILE C 2 2.593 16.301 -8.619 1.00 0.03 C ATOM 805 CD1 ILE C 2 4.756 16.086 -6.517 1.00 0.03 C ATOM 0 H ILE C 2 2.584 16.960 -11.128 1.00 0.03 H new ATOM 0 HA ILE C 2 5.456 16.297 -10.533 1.00 0.03 H new ATOM 0 HB ILE C 2 4.349 17.545 -8.702 1.00 0.03 H new ATOM 0 HG12 ILE C 2 4.550 14.568 -8.043 1.00 0.03 H new ATOM 0 HG13 ILE C 2 5.947 15.604 -8.256 1.00 0.03 H new ATOM 0 HG21 ILE C 2 2.372 16.554 -7.582 1.00 0.03 H new ATOM 0 HG22 ILE C 2 2.014 16.944 -9.281 1.00 0.03 H new ATOM 0 HG23 ILE C 2 2.329 15.260 -8.802 1.00 0.03 H new ATOM 0 HD11 ILE C 2 5.335 15.441 -5.856 1.00 0.03 H new ATOM 0 HD12 ILE C 2 5.125 17.109 -6.441 1.00 0.03 H new ATOM 0 HD13 ILE C 2 3.706 16.057 -6.225 1.00 0.03 H new ATOM 817 N VAL C 3 2.771 14.430 -10.851 1.00 0.00 N ATOM 818 CA VAL C 3 2.339 13.032 -11.107 1.00 0.00 C ATOM 819 C VAL C 3 2.833 12.589 -12.482 1.00 0.00 C ATOM 820 O VAL C 3 3.532 11.605 -12.621 1.00 0.00 O ATOM 821 CB VAL C 3 0.814 12.966 -11.074 1.00 0.00 C ATOM 822 CG1 VAL C 3 0.369 11.506 -11.134 1.00 0.00 C ATOM 823 CG2 VAL C 3 0.306 13.602 -9.779 1.00 0.00 C ATOM 0 H VAL C 3 2.029 15.128 -10.892 1.00 0.00 H new ATOM 0 HA VAL C 3 2.755 12.375 -10.343 1.00 0.00 H new ATOM 0 HB VAL C 3 0.406 13.506 -11.928 1.00 0.00 H new ATOM 0 HG11 VAL C 3 -0.720 11.456 -11.111 1.00 0.00 H new ATOM 0 HG12 VAL C 3 0.733 11.052 -12.056 1.00 0.00 H new ATOM 0 HG13 VAL C 3 0.775 10.966 -10.279 1.00 0.00 H new ATOM 0 HG21 VAL C 3 -0.783 13.556 -9.754 1.00 0.00 H new ATOM 0 HG22 VAL C 3 0.712 13.061 -8.924 1.00 0.00 H new ATOM 0 HG23 VAL C 3 0.626 14.643 -9.735 1.00 0.00 H new ATOM 833 N GLU C 4 2.466 13.308 -13.499 1.00 0.39 N ATOM 834 CA GLU C 4 2.900 12.944 -14.874 1.00 0.39 C ATOM 835 C GLU C 4 4.426 12.913 -14.948 1.00 0.39 C ATOM 836 O GLU C 4 5.004 12.265 -15.795 1.00 0.39 O ATOM 837 CB GLU C 4 2.376 14.002 -15.847 1.00 0.39 C ATOM 838 CG GLU C 4 2.062 13.353 -17.195 1.00 0.39 C ATOM 839 CD GLU C 4 1.429 14.395 -18.121 1.00 0.39 C ATOM 840 OE1 GLU C 4 0.286 14.754 -17.882 1.00 0.39 O ATOM 841 OE2 GLU C 4 2.100 14.817 -19.051 1.00 0.39 O ATOM 0 H GLU C 4 1.879 14.140 -13.438 1.00 0.39 H new ATOM 0 HA GLU C 4 2.509 11.960 -15.132 1.00 0.39 H new ATOM 0 HB2 GLU C 4 1.480 14.471 -15.441 1.00 0.39 H new ATOM 0 HB3 GLU C 4 3.118 14.790 -15.976 1.00 0.39 H new ATOM 0 HG2 GLU C 4 2.974 12.957 -17.643 1.00 0.39 H new ATOM 0 HG3 GLU C 4 1.383 12.511 -17.057 1.00 0.39 H new ATOM 848 N GLN C 5 5.080 13.628 -14.085 1.00 0.23 N ATOM 849 CA GLN C 5 6.568 13.666 -14.121 1.00 0.23 C ATOM 850 C GLN C 5 7.158 12.471 -13.365 1.00 0.23 C ATOM 851 O GLN C 5 8.176 11.931 -13.747 1.00 0.23 O ATOM 852 CB GLN C 5 7.033 14.970 -13.468 1.00 0.23 C ATOM 853 CG GLN C 5 8.559 15.036 -13.453 1.00 0.23 C ATOM 854 CD GLN C 5 9.004 16.174 -12.532 1.00 0.23 C ATOM 855 OE1 GLN C 5 8.435 17.247 -12.557 1.00 0.23 O ATOM 856 NE2 GLN C 5 10.001 15.983 -11.711 1.00 0.23 N ATOM 0 H GLN C 5 4.650 14.191 -13.352 1.00 0.23 H new ATOM 0 HA GLN C 5 6.908 13.615 -15.155 1.00 0.23 H new ATOM 0 HB2 GLN C 5 6.630 15.823 -14.014 1.00 0.23 H new ATOM 0 HB3 GLN C 5 6.649 15.033 -12.450 1.00 0.23 H new ATOM 0 HG2 GLN C 5 8.973 14.089 -13.107 1.00 0.23 H new ATOM 0 HG3 GLN C 5 8.938 15.199 -14.462 1.00 0.23 H new ATOM 0 HE21 GLN C 5 10.479 15.082 -11.690 1.00 0.23 H new ATOM 0 HE22 GLN C 5 10.302 16.735 -11.091 1.00 0.23 H new ATOM 865 N CYS C 6 6.551 12.072 -12.283 1.00 0.00 N ATOM 866 CA CYS C 6 7.113 10.937 -11.500 1.00 0.00 C ATOM 867 C CYS C 6 6.418 9.623 -11.859 1.00 0.00 C ATOM 868 O CYS C 6 6.951 8.558 -11.617 1.00 0.00 O ATOM 869 CB CYS C 6 6.939 11.219 -10.009 1.00 0.00 C ATOM 870 SG CYS C 6 7.668 12.828 -9.612 1.00 0.00 S ATOM 0 H CYS C 6 5.695 12.480 -11.908 1.00 0.00 H new ATOM 0 HA CYS C 6 8.171 10.839 -11.741 1.00 0.00 H new ATOM 0 HB2 CYS C 6 5.881 11.212 -9.747 1.00 0.00 H new ATOM 0 HB3 CYS C 6 7.418 10.436 -9.421 1.00 0.00 H new ATOM 875 N CYS C 7 5.247 9.676 -12.433 1.00 0.08 N ATOM 876 CA CYS C 7 4.554 8.408 -12.798 1.00 0.08 C ATOM 877 C CYS C 7 4.882 8.039 -14.252 1.00 0.08 C ATOM 878 O CYS C 7 4.176 7.279 -14.881 1.00 0.08 O ATOM 879 CB CYS C 7 3.041 8.572 -12.629 1.00 0.08 C ATOM 880 SG CYS C 7 2.255 6.940 -12.647 1.00 0.08 S ATOM 0 H CYS C 7 4.744 10.533 -12.663 1.00 0.08 H new ATOM 0 HA CYS C 7 4.898 7.610 -12.140 1.00 0.08 H new ATOM 0 HB2 CYS C 7 2.822 9.083 -11.692 1.00 0.08 H new ATOM 0 HB3 CYS C 7 2.639 9.191 -13.431 1.00 0.08 H new ATOM 885 N THR C 8 5.957 8.561 -14.787 1.00 0.28 N ATOM 886 CA THR C 8 6.331 8.226 -16.191 1.00 0.28 C ATOM 887 C THR C 8 7.704 7.560 -16.194 1.00 0.28 C ATOM 888 O THR C 8 7.929 6.582 -16.877 1.00 0.28 O ATOM 889 CB THR C 8 6.397 9.501 -17.029 1.00 0.28 C ATOM 890 OG1 THR C 8 7.136 10.488 -16.327 1.00 0.28 O ATOM 891 CG2 THR C 8 4.981 10.010 -17.299 1.00 0.28 C ATOM 0 H THR C 8 6.590 9.204 -14.311 1.00 0.28 H new ATOM 0 HA THR C 8 5.584 7.554 -16.613 1.00 0.28 H new ATOM 0 HB THR C 8 6.888 9.289 -17.979 1.00 0.28 H new ATOM 0 HG1 THR C 8 6.536 11.213 -16.054 1.00 0.28 H new ATOM 0 HG21 THR C 8 5.029 10.920 -17.897 1.00 0.28 H new ATOM 0 HG22 THR C 8 4.418 9.250 -17.840 1.00 0.28 H new ATOM 0 HG23 THR C 8 4.485 10.224 -16.352 1.00 0.28 H new ATOM 899 N SER C 9 8.622 8.077 -15.427 1.00 0.33 N ATOM 900 CA SER C 9 9.980 7.467 -15.378 1.00 0.33 C ATOM 901 C SER C 9 10.537 7.562 -13.956 1.00 0.33 C ATOM 902 O SER C 9 11.731 7.515 -13.748 1.00 0.33 O ATOM 903 CB SER C 9 10.907 8.209 -16.339 1.00 0.33 C ATOM 904 OG SER C 9 10.140 8.748 -17.408 1.00 0.33 O ATOM 0 H SER C 9 8.491 8.895 -14.832 1.00 0.33 H new ATOM 0 HA SER C 9 9.915 6.419 -15.671 1.00 0.33 H new ATOM 0 HB2 SER C 9 11.431 9.007 -15.814 1.00 0.33 H new ATOM 0 HB3 SER C 9 11.667 7.530 -16.727 1.00 0.33 H new ATOM 0 HG SER C 9 10.731 9.226 -18.026 1.00 0.33 H new ATOM 910 N ILE C 10 9.679 7.688 -12.976 1.00 0.14 N ATOM 911 CA ILE C 10 10.148 7.775 -11.563 1.00 0.14 C ATOM 912 C ILE C 10 11.032 9.008 -11.360 1.00 0.14 C ATOM 913 O ILE C 10 12.049 9.174 -12.002 1.00 0.14 O ATOM 914 CB ILE C 10 10.930 6.508 -11.206 1.00 0.14 C ATOM 915 CG1 ILE C 10 10.009 5.295 -11.361 1.00 0.14 C ATOM 916 CG2 ILE C 10 11.421 6.592 -9.760 1.00 0.14 C ATOM 917 CD1 ILE C 10 10.841 4.013 -11.310 1.00 0.14 C ATOM 0 H ILE C 10 8.667 7.735 -13.097 1.00 0.14 H new ATOM 0 HA ILE C 10 9.280 7.865 -10.910 1.00 0.14 H new ATOM 0 HB ILE C 10 11.789 6.410 -11.870 1.00 0.14 H new ATOM 0 HG12 ILE C 10 9.262 5.288 -10.567 1.00 0.14 H new ATOM 0 HG13 ILE C 10 9.469 5.353 -12.306 1.00 0.14 H new ATOM 0 HG21 ILE C 10 11.977 5.688 -9.511 1.00 0.14 H new ATOM 0 HG22 ILE C 10 12.070 7.460 -9.646 1.00 0.14 H new ATOM 0 HG23 ILE C 10 10.566 6.688 -9.091 1.00 0.14 H new ATOM 0 HD11 ILE C 10 10.185 3.149 -11.420 1.00 0.14 H new ATOM 0 HD12 ILE C 10 11.571 4.020 -12.120 1.00 0.14 H new ATOM 0 HD13 ILE C 10 11.361 3.954 -10.354 1.00 0.14 H new ATOM 929 N CYS C 11 10.651 9.867 -10.452 1.00 0.04 N ATOM 930 CA CYS C 11 11.462 11.085 -10.181 1.00 0.04 C ATOM 931 C CYS C 11 12.640 10.710 -9.283 1.00 0.04 C ATOM 932 O CYS C 11 12.605 9.719 -8.581 1.00 0.04 O ATOM 933 CB CYS C 11 10.604 12.125 -9.460 1.00 0.04 C ATOM 934 SG CYS C 11 9.420 12.852 -10.617 1.00 0.04 S ATOM 0 H CYS C 11 9.808 9.775 -9.885 1.00 0.04 H new ATOM 0 HA CYS C 11 11.822 11.497 -11.124 1.00 0.04 H new ATOM 0 HB2 CYS C 11 10.075 11.660 -8.628 1.00 0.04 H new ATOM 0 HB3 CYS C 11 11.239 12.904 -9.038 1.00 0.04 H new ATOM 939 N SER C 12 13.680 11.494 -9.293 1.00 0.24 N ATOM 940 CA SER C 12 14.852 11.181 -8.432 1.00 0.24 C ATOM 941 C SER C 12 14.646 11.815 -7.056 1.00 0.24 C ATOM 942 O SER C 12 13.834 12.703 -6.885 1.00 0.24 O ATOM 943 CB SER C 12 16.122 11.745 -9.070 1.00 0.24 C ATOM 944 OG SER C 12 15.889 13.090 -9.468 1.00 0.24 O ATOM 0 H SER C 12 13.769 12.337 -9.860 1.00 0.24 H new ATOM 0 HA SER C 12 14.952 10.101 -8.328 1.00 0.24 H new ATOM 0 HB2 SER C 12 16.949 11.701 -8.362 1.00 0.24 H new ATOM 0 HB3 SER C 12 16.408 11.143 -9.932 1.00 0.24 H new ATOM 0 HG SER C 12 15.590 13.108 -10.401 1.00 0.24 H new ATOM 950 N LEU C 13 15.373 11.363 -6.072 1.00 0.20 N ATOM 951 CA LEU C 13 15.220 11.930 -4.702 1.00 0.20 C ATOM 952 C LEU C 13 15.351 13.457 -4.741 1.00 0.20 C ATOM 953 O LEU C 13 14.586 14.169 -4.122 1.00 0.20 O ATOM 954 CB LEU C 13 16.306 11.352 -3.796 1.00 0.20 C ATOM 955 CG LEU C 13 15.943 11.612 -2.336 1.00 0.20 C ATOM 956 CD1 LEU C 13 16.406 10.434 -1.478 1.00 0.20 C ATOM 957 CD2 LEU C 13 16.634 12.893 -1.860 1.00 0.20 C ATOM 0 H LEU C 13 16.069 10.623 -6.158 1.00 0.20 H new ATOM 0 HA LEU C 13 14.234 11.670 -4.316 1.00 0.20 H new ATOM 0 HB2 LEU C 13 16.409 10.281 -3.971 1.00 0.20 H new ATOM 0 HB3 LEU C 13 17.269 11.807 -4.029 1.00 0.20 H new ATOM 0 HG LEU C 13 14.863 11.725 -2.244 1.00 0.20 H new ATOM 0 HD11 LEU C 13 16.147 10.619 -0.436 1.00 0.20 H new ATOM 0 HD12 LEU C 13 15.915 9.522 -1.817 1.00 0.20 H new ATOM 0 HD13 LEU C 13 17.486 10.320 -1.569 1.00 0.20 H new ATOM 0 HD21 LEU C 13 16.376 13.080 -0.818 1.00 0.20 H new ATOM 0 HD22 LEU C 13 17.714 12.779 -1.951 1.00 0.20 H new ATOM 0 HD23 LEU C 13 16.305 13.733 -2.472 1.00 0.20 H new ATOM 969 N TYR C 14 16.316 13.965 -5.454 1.00 0.53 N ATOM 970 CA TYR C 14 16.492 15.444 -5.517 1.00 0.53 C ATOM 971 C TYR C 14 15.303 16.081 -6.233 1.00 0.53 C ATOM 972 O TYR C 14 14.970 17.226 -6.002 1.00 0.53 O ATOM 973 CB TYR C 14 17.781 15.772 -6.275 1.00 0.53 C ATOM 974 CG TYR C 14 18.958 15.234 -5.498 1.00 0.53 C ATOM 975 CD1 TYR C 14 19.335 15.848 -4.234 1.00 0.53 C ATOM 976 CD2 TYR C 14 19.708 14.097 -6.007 1.00 0.53 C ATOM 977 CE1 TYR C 14 20.462 15.323 -3.479 1.00 0.53 C ATOM 978 CE2 TYR C 14 20.836 13.574 -5.252 1.00 0.53 C ATOM 979 CZ TYR C 14 21.212 14.186 -3.988 1.00 0.53 C ATOM 980 OH TYR C 14 22.280 13.687 -3.269 1.00 0.53 O ATOM 0 H TYR C 14 16.990 13.423 -5.995 1.00 0.53 H new ATOM 0 HA TYR C 14 16.552 15.841 -4.504 1.00 0.53 H new ATOM 0 HB2 TYR C 14 17.754 15.331 -7.271 1.00 0.53 H new ATOM 0 HB3 TYR C 14 17.877 16.850 -6.406 1.00 0.53 H new ATOM 0 HD1 TYR C 14 18.778 16.693 -3.857 1.00 0.53 H new ATOM 0 HD2 TYR C 14 19.428 13.641 -6.945 1.00 0.53 H new ATOM 0 HE1 TYR C 14 20.742 15.778 -2.540 1.00 0.53 H new ATOM 0 HE2 TYR C 14 21.394 12.731 -5.631 1.00 0.53 H new ATOM 0 HH TYR C 14 22.670 12.927 -3.748 1.00 0.53 H new ATOM 990 N GLN C 15 14.659 15.357 -7.101 1.00 0.23 N ATOM 991 CA GLN C 15 13.496 15.935 -7.827 1.00 0.23 C ATOM 992 C GLN C 15 12.286 15.980 -6.896 1.00 0.23 C ATOM 993 O GLN C 15 11.469 16.877 -6.964 1.00 0.23 O ATOM 994 CB GLN C 15 13.167 15.059 -9.035 1.00 0.23 C ATOM 995 CG GLN C 15 13.928 15.567 -10.259 1.00 0.23 C ATOM 996 CD GLN C 15 13.743 14.580 -11.411 1.00 0.23 C ATOM 997 OE1 GLN C 15 14.385 13.550 -11.452 1.00 0.23 O ATOM 998 NE2 GLN C 15 12.883 14.853 -12.354 1.00 0.23 N ATOM 0 H GLN C 15 14.886 14.392 -7.340 1.00 0.23 H new ATOM 0 HA GLN C 15 13.740 16.944 -8.159 1.00 0.23 H new ATOM 0 HB2 GLN C 15 13.437 14.023 -8.830 1.00 0.23 H new ATOM 0 HB3 GLN C 15 12.094 15.076 -9.228 1.00 0.23 H new ATOM 0 HG2 GLN C 15 13.562 16.553 -10.546 1.00 0.23 H new ATOM 0 HG3 GLN C 15 14.987 15.676 -10.024 1.00 0.23 H new ATOM 0 HE21 GLN C 15 12.344 15.719 -12.318 1.00 0.23 H new ATOM 0 HE22 GLN C 15 12.749 14.201 -13.127 1.00 0.23 H new ATOM 1007 N LEU C 16 12.164 15.011 -6.033 1.00 0.02 N ATOM 1008 CA LEU C 16 11.003 14.980 -5.100 1.00 0.02 C ATOM 1009 C LEU C 16 11.137 16.099 -4.064 1.00 0.02 C ATOM 1010 O LEU C 16 10.156 16.612 -3.560 1.00 0.02 O ATOM 1011 CB LEU C 16 10.972 13.624 -4.398 1.00 0.02 C ATOM 1012 CG LEU C 16 10.783 12.524 -5.444 1.00 0.02 C ATOM 1013 CD1 LEU C 16 10.921 11.154 -4.781 1.00 0.02 C ATOM 1014 CD2 LEU C 16 9.394 12.649 -6.070 1.00 0.02 C ATOM 0 H LEU C 16 12.820 14.237 -5.933 1.00 0.02 H new ATOM 0 HA LEU C 16 10.078 15.129 -5.657 1.00 0.02 H new ATOM 0 HB2 LEU C 16 11.899 13.464 -3.847 1.00 0.02 H new ATOM 0 HB3 LEU C 16 10.160 13.595 -3.671 1.00 0.02 H new ATOM 0 HG LEU C 16 11.543 12.629 -6.218 1.00 0.02 H new ATOM 0 HD11 LEU C 16 10.786 10.373 -5.529 1.00 0.02 H new ATOM 0 HD12 LEU C 16 11.912 11.063 -4.336 1.00 0.02 H new ATOM 0 HD13 LEU C 16 10.164 11.048 -4.004 1.00 0.02 H new ATOM 0 HD21 LEU C 16 9.259 11.865 -6.815 1.00 0.02 H new ATOM 0 HD22 LEU C 16 8.635 12.547 -5.295 1.00 0.02 H new ATOM 0 HD23 LEU C 16 9.296 13.624 -6.547 1.00 0.02 H new ATOM 1026 N GLU C 17 12.341 16.484 -3.745 1.00 0.29 N ATOM 1027 CA GLU C 17 12.538 17.570 -2.742 1.00 0.29 C ATOM 1028 C GLU C 17 11.844 18.855 -3.206 1.00 0.29 C ATOM 1029 O GLU C 17 11.286 19.587 -2.416 1.00 0.29 O ATOM 1030 CB GLU C 17 14.034 17.835 -2.582 1.00 0.29 C ATOM 1031 CG GLU C 17 14.561 17.069 -1.370 1.00 0.29 C ATOM 1032 CD GLU C 17 15.692 17.866 -0.720 1.00 0.29 C ATOM 1033 OE1 GLU C 17 15.418 18.947 -0.221 1.00 0.29 O ATOM 1034 OE2 GLU C 17 16.814 17.384 -0.736 1.00 0.29 O ATOM 0 H GLU C 17 13.199 16.094 -4.135 1.00 0.29 H new ATOM 0 HA GLU C 17 12.107 17.260 -1.790 1.00 0.29 H new ATOM 0 HB2 GLU C 17 14.567 17.525 -3.481 1.00 0.29 H new ATOM 0 HB3 GLU C 17 14.214 18.903 -2.457 1.00 0.29 H new ATOM 0 HG2 GLU C 17 13.758 16.905 -0.652 1.00 0.29 H new ATOM 0 HG3 GLU C 17 14.922 16.087 -1.675 1.00 0.29 H new ATOM 1041 N ASN C 18 11.882 19.140 -4.478 1.00 0.40 N ATOM 1042 CA ASN C 18 11.232 20.385 -4.985 1.00 0.40 C ATOM 1043 C ASN C 18 9.775 20.441 -4.529 1.00 0.40 C ATOM 1044 O ASN C 18 9.217 21.503 -4.335 1.00 0.40 O ATOM 1045 CB ASN C 18 11.282 20.400 -6.513 1.00 0.40 C ATOM 1046 CG ASN C 18 12.704 20.086 -6.973 1.00 0.40 C ATOM 1047 OD1 ASN C 18 13.661 20.533 -6.371 1.00 0.40 O ATOM 1048 ND2 ASN C 18 12.886 19.327 -8.019 1.00 0.40 N ATOM 0 H ASN C 18 12.334 18.566 -5.190 1.00 0.40 H new ATOM 0 HA ASN C 18 11.765 21.249 -4.588 1.00 0.40 H new ATOM 0 HB2 ASN C 18 10.586 19.666 -6.919 1.00 0.40 H new ATOM 0 HB3 ASN C 18 10.972 21.375 -6.889 1.00 0.40 H new ATOM 0 HD21 ASN C 18 13.832 19.108 -8.332 1.00 0.40 H new ATOM 0 HD22 ASN C 18 12.082 18.952 -8.523 1.00 0.40 H new ATOM 1055 N TYR C 19 9.151 19.312 -4.360 1.00 0.10 N ATOM 1056 CA TYR C 19 7.728 19.315 -3.919 1.00 0.10 C ATOM 1057 C TYR C 19 7.637 19.271 -2.386 1.00 0.10 C ATOM 1058 O TYR C 19 6.579 19.466 -1.822 1.00 0.10 O ATOM 1059 CB TYR C 19 7.017 18.100 -4.513 1.00 0.10 C ATOM 1060 CG TYR C 19 7.242 18.083 -6.004 1.00 0.10 C ATOM 1061 CD1 TYR C 19 6.356 18.833 -6.881 1.00 0.10 C ATOM 1062 CD2 TYR C 19 8.347 17.322 -6.564 1.00 0.10 C ATOM 1063 CE1 TYR C 19 6.575 18.821 -8.319 1.00 0.10 C ATOM 1064 CE2 TYR C 19 8.565 17.309 -8.001 1.00 0.10 C ATOM 1065 CZ TYR C 19 7.680 18.057 -8.880 1.00 0.10 C ATOM 1066 OH TYR C 19 7.887 18.043 -10.243 1.00 0.10 O ATOM 0 H TYR C 19 9.561 18.390 -4.507 1.00 0.10 H new ATOM 0 HA TYR C 19 7.250 20.231 -4.266 1.00 0.10 H new ATOM 0 HB2 TYR C 19 7.399 17.183 -4.064 1.00 0.10 H new ATOM 0 HB3 TYR C 19 5.950 18.143 -4.293 1.00 0.10 H new ATOM 0 HD1 TYR C 19 5.536 19.399 -6.464 1.00 0.10 H new ATOM 0 HD2 TYR C 19 9.006 16.767 -5.913 1.00 0.10 H new ATOM 0 HE1 TYR C 19 5.918 19.379 -8.970 1.00 0.10 H new ATOM 0 HE2 TYR C 19 9.385 16.743 -8.417 1.00 0.10 H new ATOM 0 HH TYR C 19 7.025 17.980 -10.704 1.00 0.10 H new ATOM 1076 N CYS C 20 8.727 19.024 -1.701 1.00 0.06 N ATOM 1077 CA CYS C 20 8.671 18.984 -0.216 1.00 0.06 C ATOM 1078 C CYS C 20 8.148 20.320 0.311 1.00 0.06 C ATOM 1079 O CYS C 20 8.132 21.313 -0.388 1.00 0.06 O ATOM 1080 CB CYS C 20 10.072 18.736 0.338 1.00 0.06 C ATOM 1081 SG CYS C 20 9.942 17.994 1.980 1.00 0.06 S ATOM 0 H CYS C 20 9.646 18.850 -2.108 1.00 0.06 H new ATOM 0 HA CYS C 20 8.005 18.181 0.101 1.00 0.06 H new ATOM 0 HB2 CYS C 20 10.628 18.077 -0.329 1.00 0.06 H new ATOM 0 HB3 CYS C 20 10.625 19.674 0.393 1.00 0.06 H new ATOM 1086 N ASN C 21 7.714 20.349 1.535 1.00 0.40 N ATOM 1087 CA ASN C 21 7.182 21.614 2.109 1.00 0.40 C ATOM 1088 C ASN C 21 8.256 22.277 2.972 1.00 0.40 C ATOM 1089 O ASN C 21 8.258 23.495 3.046 1.00 0.40 O ATOM 1090 CB ASN C 21 5.960 21.303 2.974 1.00 0.40 C ATOM 1091 CG ASN C 21 5.386 22.604 3.530 1.00 0.40 C ATOM 1092 OD1 ASN C 21 5.977 23.222 4.393 1.00 0.40 O ATOM 1093 ND2 ASN C 21 4.250 23.051 3.066 1.00 0.40 N ATOM 1094 OXT ASN C 21 9.057 21.556 3.546 1.00 0.40 O ATOM 0 H ASN C 21 7.704 19.549 2.167 1.00 0.40 H new ATOM 0 HA ASN C 21 6.899 22.288 1.300 1.00 0.40 H new ATOM 0 HB2 ASN C 21 5.206 20.783 2.383 1.00 0.40 H new ATOM 0 HB3 ASN C 21 6.239 20.638 3.791 1.00 0.40 H new ATOM 0 HD21 ASN C 21 3.858 23.920 3.428 1.00 0.40 H new ATOM 0 HD22 ASN C 21 3.755 22.531 2.341 1.00 0.40 H new TER 1101 ASN C 21 ATOM 1102 N PHE D 1 -5.386 5.731 -17.721 1.00 0.55 N ATOM 1103 CA PHE D 1 -5.972 6.854 -16.934 1.00 0.55 C ATOM 1104 C PHE D 1 -6.045 6.457 -15.456 1.00 0.55 C ATOM 1105 O PHE D 1 -6.012 7.294 -14.574 1.00 0.55 O ATOM 1106 CB PHE D 1 -7.379 7.156 -17.449 1.00 0.55 C ATOM 1107 CG PHE D 1 -7.945 8.324 -16.679 1.00 0.55 C ATOM 1108 CD1 PHE D 1 -8.564 8.108 -15.381 1.00 0.55 C ATOM 1109 CD2 PHE D 1 -7.867 9.666 -17.233 1.00 0.55 C ATOM 1110 CE1 PHE D 1 -9.105 9.234 -14.637 1.00 0.55 C ATOM 1111 CE2 PHE D 1 -8.410 10.793 -16.490 1.00 0.55 C ATOM 1112 CZ PHE D 1 -9.030 10.576 -15.191 1.00 0.55 C ATOM 0 H1 PHE D 1 -5.116 6.073 -18.665 1.00 0.55 H new ATOM 0 H2 PHE D 1 -4.544 5.366 -17.231 1.00 0.55 H new ATOM 0 H3 PHE D 1 -6.088 4.970 -17.816 1.00 0.55 H new ATOM 0 HA PHE D 1 -5.346 7.740 -17.043 1.00 0.55 H new ATOM 0 HB2 PHE D 1 -7.348 7.387 -18.514 1.00 0.55 H new ATOM 0 HB3 PHE D 1 -8.019 6.282 -17.330 1.00 0.55 H new ATOM 0 HD1 PHE D 1 -8.622 7.111 -14.970 1.00 0.55 H new ATOM 0 HD2 PHE D 1 -7.406 9.826 -18.196 1.00 0.55 H new ATOM 0 HE1 PHE D 1 -9.563 9.073 -13.672 1.00 0.55 H new ATOM 0 HE2 PHE D 1 -8.353 11.790 -16.902 1.00 0.55 H new ATOM 0 HZ PHE D 1 -9.434 11.412 -14.639 1.00 0.55 H new ATOM 1124 N VAL D 2 -6.146 5.188 -15.183 1.00 0.05 N ATOM 1125 CA VAL D 2 -6.219 4.735 -13.770 1.00 0.05 C ATOM 1126 C VAL D 2 -4.821 4.754 -13.152 1.00 0.05 C ATOM 1127 O VAL D 2 -4.658 4.912 -11.959 1.00 0.05 O ATOM 1128 CB VAL D 2 -6.766 3.310 -13.726 1.00 0.05 C ATOM 1129 CG1 VAL D 2 -8.165 3.284 -14.337 1.00 0.05 C ATOM 1130 CG2 VAL D 2 -5.848 2.386 -14.530 1.00 0.05 C ATOM 0 H VAL D 2 -6.181 4.444 -15.880 1.00 0.05 H new ATOM 0 HA VAL D 2 -6.874 5.402 -13.209 1.00 0.05 H new ATOM 0 HB VAL D 2 -6.811 2.971 -12.691 1.00 0.05 H new ATOM 0 HG11 VAL D 2 -8.557 2.267 -14.306 1.00 0.05 H new ATOM 0 HG12 VAL D 2 -8.822 3.943 -13.770 1.00 0.05 H new ATOM 0 HG13 VAL D 2 -8.116 3.623 -15.372 1.00 0.05 H new ATOM 0 HG21 VAL D 2 -6.238 1.369 -14.499 1.00 0.05 H new ATOM 0 HG22 VAL D 2 -5.805 2.727 -15.565 1.00 0.05 H new ATOM 0 HG23 VAL D 2 -4.847 2.404 -14.100 1.00 0.05 H new ATOM 1140 N ASN D 3 -3.811 4.581 -13.955 1.00 0.23 N ATOM 1141 CA ASN D 3 -2.420 4.572 -13.420 1.00 0.23 C ATOM 1142 C ASN D 3 -2.163 5.818 -12.566 1.00 0.23 C ATOM 1143 O ASN D 3 -1.562 5.748 -11.516 1.00 0.23 O ATOM 1144 CB ASN D 3 -1.437 4.551 -14.589 1.00 0.23 C ATOM 1145 CG ASN D 3 -0.421 3.433 -14.375 1.00 0.23 C ATOM 1146 OD1 ASN D 3 -0.193 3.011 -13.259 1.00 0.23 O ATOM 1147 ND2 ASN D 3 0.202 2.928 -15.405 1.00 0.23 N ATOM 0 H ASN D 3 -3.888 4.445 -14.963 1.00 0.23 H new ATOM 0 HA ASN D 3 -2.286 3.687 -12.797 1.00 0.23 H new ATOM 0 HB2 ASN D 3 -1.972 4.397 -15.526 1.00 0.23 H new ATOM 0 HB3 ASN D 3 -0.927 5.511 -14.667 1.00 0.23 H new ATOM 0 HD21 ASN D 3 0.881 2.178 -15.273 1.00 0.23 H new ATOM 0 HD22 ASN D 3 0.010 3.283 -16.342 1.00 0.23 H new ATOM 1154 N GLN D 4 -2.592 6.958 -13.015 1.00 0.24 N ATOM 1155 CA GLN D 4 -2.350 8.203 -12.234 1.00 0.24 C ATOM 1156 C GLN D 4 -2.951 8.081 -10.832 1.00 0.24 C ATOM 1157 O GLN D 4 -2.265 8.208 -9.837 1.00 0.24 O ATOM 1158 CB GLN D 4 -2.999 9.381 -12.959 1.00 0.24 C ATOM 1159 CG GLN D 4 -2.393 10.688 -12.452 1.00 0.24 C ATOM 1160 CD GLN D 4 -3.070 11.866 -13.151 1.00 0.24 C ATOM 1161 OE1 GLN D 4 -2.644 12.286 -14.209 1.00 0.24 O ATOM 1162 NE2 GLN D 4 -4.116 12.426 -12.599 1.00 0.24 N ATOM 0 H GLN D 4 -3.101 7.085 -13.890 1.00 0.24 H new ATOM 0 HA GLN D 4 -1.275 8.362 -12.143 1.00 0.24 H new ATOM 0 HB2 GLN D 4 -2.845 9.289 -14.034 1.00 0.24 H new ATOM 0 HB3 GLN D 4 -4.076 9.377 -12.790 1.00 0.24 H new ATOM 0 HG2 GLN D 4 -2.523 10.768 -11.373 1.00 0.24 H new ATOM 0 HG3 GLN D 4 -1.320 10.704 -12.646 1.00 0.24 H new ATOM 0 HE21 GLN D 4 -4.474 12.074 -11.711 1.00 0.24 H new ATOM 0 HE22 GLN D 4 -4.573 13.215 -13.057 1.00 0.24 H new ATOM 1171 N HIS D 5 -4.231 7.858 -10.750 1.00 0.06 N ATOM 1172 CA HIS D 5 -4.900 7.752 -9.420 1.00 0.06 C ATOM 1173 C HIS D 5 -4.362 6.555 -8.627 1.00 0.06 C ATOM 1174 O HIS D 5 -4.619 6.427 -7.448 1.00 0.06 O ATOM 1175 CB HIS D 5 -6.401 7.575 -9.635 1.00 0.06 C ATOM 1176 CG HIS D 5 -7.132 7.853 -8.354 1.00 0.06 C ATOM 1177 ND1 HIS D 5 -7.899 8.993 -8.175 1.00 0.06 N ATOM 1178 CD2 HIS D 5 -7.226 7.149 -7.179 1.00 0.06 C ATOM 1179 CE1 HIS D 5 -8.419 8.943 -6.935 1.00 0.06 C ATOM 1180 NE2 HIS D 5 -8.040 7.839 -6.284 1.00 0.06 N ATOM 0 H HIS D 5 -4.850 7.743 -11.553 1.00 0.06 H new ATOM 0 HA HIS D 5 -4.697 8.661 -8.853 1.00 0.06 H new ATOM 0 HB2 HIS D 5 -6.748 8.250 -10.417 1.00 0.06 H new ATOM 0 HB3 HIS D 5 -6.613 6.561 -9.973 1.00 0.06 H new ATOM 0 HD1 HIS D 5 -8.043 9.736 -8.859 1.00 0.06 H new ATOM 0 HD2 HIS D 5 -6.742 6.204 -6.979 1.00 0.06 H new ATOM 0 HE1 HIS D 5 -9.064 9.702 -6.517 1.00 0.06 H new ATOM 1188 N LEU D 6 -3.634 5.673 -9.253 1.00 0.04 N ATOM 1189 CA LEU D 6 -3.107 4.492 -8.513 1.00 0.04 C ATOM 1190 C LEU D 6 -1.623 4.688 -8.191 1.00 0.04 C ATOM 1191 O LEU D 6 -1.211 4.575 -7.053 1.00 0.04 O ATOM 1192 CB LEU D 6 -3.290 3.240 -9.371 1.00 0.04 C ATOM 1193 CG LEU D 6 -4.771 3.081 -9.719 1.00 0.04 C ATOM 1194 CD1 LEU D 6 -4.925 2.089 -10.873 1.00 0.04 C ATOM 1195 CD2 LEU D 6 -5.527 2.557 -8.496 1.00 0.04 C ATOM 0 H LEU D 6 -3.382 5.718 -10.240 1.00 0.04 H new ATOM 0 HA LEU D 6 -3.654 4.380 -7.577 1.00 0.04 H new ATOM 0 HB2 LEU D 6 -2.697 3.319 -10.282 1.00 0.04 H new ATOM 0 HB3 LEU D 6 -2.934 2.361 -8.834 1.00 0.04 H new ATOM 0 HG LEU D 6 -5.178 4.048 -10.016 1.00 0.04 H new ATOM 0 HD11 LEU D 6 -5.981 1.978 -11.119 1.00 0.04 H new ATOM 0 HD12 LEU D 6 -4.387 2.459 -11.745 1.00 0.04 H new ATOM 0 HD13 LEU D 6 -4.517 1.122 -10.578 1.00 0.04 H new ATOM 0 HD21 LEU D 6 -6.583 2.443 -8.742 1.00 0.04 H new ATOM 0 HD22 LEU D 6 -5.117 1.591 -8.201 1.00 0.04 H new ATOM 0 HD23 LEU D 6 -5.421 3.263 -7.672 1.00 0.04 H new ATOM 1207 N CYS D 7 -0.811 4.976 -9.175 1.00 0.02 N ATOM 1208 CA CYS D 7 0.640 5.170 -8.896 1.00 0.02 C ATOM 1209 C CYS D 7 0.825 6.385 -7.983 1.00 0.02 C ATOM 1210 O CYS D 7 1.699 6.412 -7.140 1.00 0.02 O ATOM 1211 CB CYS D 7 1.427 5.344 -10.214 1.00 0.02 C ATOM 1212 SG CYS D 7 1.042 6.923 -11.027 1.00 0.02 S ATOM 0 H CYS D 7 -1.088 5.084 -10.151 1.00 0.02 H new ATOM 0 HA CYS D 7 1.031 4.287 -8.391 1.00 0.02 H new ATOM 0 HB2 CYS D 7 2.496 5.292 -10.008 1.00 0.02 H new ATOM 0 HB3 CYS D 7 1.192 4.521 -10.889 1.00 0.02 H new ATOM 1217 N GLY D 8 0.000 7.387 -8.136 1.00 0.00 N ATOM 1218 CA GLY D 8 0.123 8.597 -7.270 1.00 0.00 C ATOM 1219 C GLY D 8 0.080 8.181 -5.800 1.00 0.00 C ATOM 1220 O GLY D 8 0.621 8.844 -4.938 1.00 0.00 O ATOM 0 H GLY D 8 -0.753 7.420 -8.823 1.00 0.00 H new ATOM 0 HA2 GLY D 8 1.057 9.117 -7.484 1.00 0.00 H new ATOM 0 HA3 GLY D 8 -0.687 9.294 -7.485 1.00 0.00 H new ATOM 1224 N SER D 9 -0.558 7.082 -5.510 1.00 0.00 N ATOM 1225 CA SER D 9 -0.643 6.612 -4.099 1.00 0.00 C ATOM 1226 C SER D 9 0.749 6.223 -3.601 1.00 0.00 C ATOM 1227 O SER D 9 1.051 6.327 -2.430 1.00 0.00 O ATOM 1228 CB SER D 9 -1.564 5.393 -4.029 1.00 0.00 C ATOM 1229 OG SER D 9 -2.551 5.611 -3.030 1.00 0.00 O ATOM 0 H SER D 9 -1.026 6.486 -6.193 1.00 0.00 H new ATOM 0 HA SER D 9 -1.040 7.412 -3.474 1.00 0.00 H new ATOM 0 HB2 SER D 9 -2.039 5.225 -4.996 1.00 0.00 H new ATOM 0 HB3 SER D 9 -0.986 4.498 -3.797 1.00 0.00 H new ATOM 0 HG SER D 9 -3.280 6.149 -3.403 1.00 0.00 H new ATOM 1235 N HIS D 10 1.596 5.771 -4.479 1.00 0.03 N ATOM 1236 CA HIS D 10 2.965 5.367 -4.053 1.00 0.03 C ATOM 1237 C HIS D 10 3.901 6.573 -4.111 1.00 0.03 C ATOM 1238 O HIS D 10 4.878 6.643 -3.395 1.00 0.03 O ATOM 1239 CB HIS D 10 3.485 4.275 -4.990 1.00 0.03 C ATOM 1240 CG HIS D 10 2.702 3.010 -4.769 1.00 0.03 C ATOM 1241 ND1 HIS D 10 1.845 2.848 -3.689 1.00 0.03 N ATOM 1242 CD2 HIS D 10 2.637 1.837 -5.481 1.00 0.03 C ATOM 1243 CE1 HIS D 10 1.307 1.618 -3.781 1.00 0.03 C ATOM 1244 NE2 HIS D 10 1.757 0.958 -4.856 1.00 0.03 N ATOM 0 H HIS D 10 1.401 5.663 -5.474 1.00 0.03 H new ATOM 0 HA HIS D 10 2.928 4.989 -3.031 1.00 0.03 H new ATOM 0 HB2 HIS D 10 3.392 4.596 -6.027 1.00 0.03 H new ATOM 0 HB3 HIS D 10 4.544 4.097 -4.805 1.00 0.03 H new ATOM 0 HD1 HIS D 10 1.657 3.536 -2.959 1.00 0.03 H new ATOM 0 HD2 HIS D 10 3.185 1.628 -6.388 1.00 0.03 H new ATOM 0 HE1 HIS D 10 0.599 1.212 -3.074 1.00 0.03 H new ATOM 1252 N LEU D 11 3.610 7.523 -4.955 1.00 0.00 N ATOM 1253 CA LEU D 11 4.490 8.721 -5.049 1.00 0.00 C ATOM 1254 C LEU D 11 4.493 9.418 -3.695 1.00 0.00 C ATOM 1255 O LEU D 11 5.509 9.867 -3.208 1.00 0.00 O ATOM 1256 CB LEU D 11 3.956 9.696 -6.108 1.00 0.00 C ATOM 1257 CG LEU D 11 3.643 8.969 -7.421 1.00 0.00 C ATOM 1258 CD1 LEU D 11 3.250 9.998 -8.481 1.00 0.00 C ATOM 1259 CD2 LEU D 11 4.874 8.197 -7.900 1.00 0.00 C ATOM 0 H LEU D 11 2.805 7.522 -5.581 1.00 0.00 H new ATOM 0 HA LEU D 11 5.496 8.411 -5.331 1.00 0.00 H new ATOM 0 HB2 LEU D 11 3.055 10.184 -5.736 1.00 0.00 H new ATOM 0 HB3 LEU D 11 4.692 10.479 -6.289 1.00 0.00 H new ATOM 0 HG LEU D 11 2.824 8.269 -7.257 1.00 0.00 H new ATOM 0 HD11 LEU D 11 3.026 9.488 -9.418 1.00 0.00 H new ATOM 0 HD12 LEU D 11 2.369 10.546 -8.147 1.00 0.00 H new ATOM 0 HD13 LEU D 11 4.074 10.694 -8.635 1.00 0.00 H new ATOM 0 HD21 LEU D 11 4.641 7.684 -8.833 1.00 0.00 H new ATOM 0 HD22 LEU D 11 5.698 8.891 -8.063 1.00 0.00 H new ATOM 0 HD23 LEU D 11 5.161 7.465 -7.145 1.00 0.00 H new ATOM 1271 N VAL D 12 3.347 9.513 -3.088 1.00 0.01 N ATOM 1272 CA VAL D 12 3.248 10.183 -1.762 1.00 0.01 C ATOM 1273 C VAL D 12 4.046 9.395 -0.726 1.00 0.01 C ATOM 1274 O VAL D 12 4.658 9.961 0.157 1.00 0.01 O ATOM 1275 CB VAL D 12 1.780 10.262 -1.332 1.00 0.01 C ATOM 1276 CG1 VAL D 12 1.040 11.250 -2.235 1.00 0.01 C ATOM 1277 CG2 VAL D 12 1.123 8.882 -1.441 1.00 0.01 C ATOM 0 H VAL D 12 2.466 9.153 -3.455 1.00 0.01 H new ATOM 0 HA VAL D 12 3.655 11.191 -1.838 1.00 0.01 H new ATOM 0 HB VAL D 12 1.730 10.598 -0.296 1.00 0.01 H new ATOM 0 HG11 VAL D 12 -0.005 11.308 -1.931 1.00 0.01 H new ATOM 0 HG12 VAL D 12 1.498 12.235 -2.149 1.00 0.01 H new ATOM 0 HG13 VAL D 12 1.099 10.912 -3.270 1.00 0.01 H new ATOM 0 HG21 VAL D 12 0.080 8.950 -1.133 1.00 0.01 H new ATOM 0 HG22 VAL D 12 1.175 8.535 -2.473 1.00 0.01 H new ATOM 0 HG23 VAL D 12 1.647 8.178 -0.795 1.00 0.01 H new ATOM 1287 N GLU D 13 4.053 8.097 -0.823 1.00 0.05 N ATOM 1288 CA GLU D 13 4.824 7.290 0.162 1.00 0.05 C ATOM 1289 C GLU D 13 6.288 7.718 0.118 1.00 0.05 C ATOM 1290 O GLU D 13 6.934 7.877 1.134 1.00 0.05 O ATOM 1291 CB GLU D 13 4.718 5.807 -0.195 1.00 0.05 C ATOM 1292 CG GLU D 13 3.286 5.328 0.046 1.00 0.05 C ATOM 1293 CD GLU D 13 3.306 4.086 0.941 1.00 0.05 C ATOM 1294 OE1 GLU D 13 4.155 4.024 1.819 1.00 0.05 O ATOM 1295 OE2 GLU D 13 2.474 3.218 0.733 1.00 0.05 O ATOM 0 H GLU D 13 3.561 7.561 -1.538 1.00 0.05 H new ATOM 0 HA GLU D 13 4.421 7.449 1.162 1.00 0.05 H new ATOM 0 HB2 GLU D 13 4.994 5.652 -1.238 1.00 0.05 H new ATOM 0 HB3 GLU D 13 5.414 5.225 0.409 1.00 0.05 H new ATOM 0 HG2 GLU D 13 2.701 6.119 0.516 1.00 0.05 H new ATOM 0 HG3 GLU D 13 2.804 5.097 -0.904 1.00 0.05 H new ATOM 1302 N ALA D 14 6.816 7.917 -1.055 1.00 0.01 N ATOM 1303 CA ALA D 14 8.234 8.344 -1.168 1.00 0.01 C ATOM 1304 C ALA D 14 8.351 9.816 -0.786 1.00 0.01 C ATOM 1305 O ALA D 14 9.313 10.236 -0.179 1.00 0.01 O ATOM 1306 CB ALA D 14 8.702 8.166 -2.609 1.00 0.01 C ATOM 0 H ALA D 14 6.325 7.802 -1.942 1.00 0.01 H new ATOM 0 HA ALA D 14 8.850 7.740 -0.502 1.00 0.01 H new ATOM 0 HB1 ALA D 14 9.743 8.479 -2.695 1.00 0.01 H new ATOM 0 HB2 ALA D 14 8.614 7.117 -2.893 1.00 0.01 H new ATOM 0 HB3 ALA D 14 8.085 8.774 -3.270 1.00 0.01 H new ATOM 1312 N LEU D 15 7.381 10.605 -1.150 1.00 0.00 N ATOM 1313 CA LEU D 15 7.434 12.055 -0.826 1.00 0.00 C ATOM 1314 C LEU D 15 7.592 12.262 0.680 1.00 0.00 C ATOM 1315 O LEU D 15 8.592 12.784 1.132 1.00 0.00 O ATOM 1316 CB LEU D 15 6.146 12.733 -1.290 1.00 0.00 C ATOM 1317 CG LEU D 15 6.214 13.000 -2.793 1.00 0.00 C ATOM 1318 CD1 LEU D 15 4.904 13.632 -3.255 1.00 0.00 C ATOM 1319 CD2 LEU D 15 7.366 13.955 -3.090 1.00 0.00 C ATOM 0 H LEU D 15 6.550 10.306 -1.660 1.00 0.00 H new ATOM 0 HA LEU D 15 8.291 12.493 -1.338 1.00 0.00 H new ATOM 0 HB2 LEU D 15 5.289 12.100 -1.062 1.00 0.00 H new ATOM 0 HB3 LEU D 15 6.003 13.670 -0.751 1.00 0.00 H new ATOM 0 HG LEU D 15 6.374 12.060 -3.321 1.00 0.00 H new ATOM 0 HD11 LEU D 15 4.951 13.823 -4.327 1.00 0.00 H new ATOM 0 HD12 LEU D 15 4.078 12.953 -3.043 1.00 0.00 H new ATOM 0 HD13 LEU D 15 4.747 14.572 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU D 15 7.414 14.145 -4.162 1.00 0.00 H new ATOM 0 HD22 LEU D 15 7.205 14.895 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU D 15 8.303 13.509 -2.758 1.00 0.00 H new ATOM 1331 N TYR D 16 6.610 11.889 1.468 1.00 0.02 N ATOM 1332 CA TYR D 16 6.736 12.115 2.939 1.00 0.02 C ATOM 1333 C TYR D 16 7.865 11.254 3.527 1.00 0.02 C ATOM 1334 O TYR D 16 8.292 11.472 4.645 1.00 0.02 O ATOM 1335 CB TYR D 16 5.378 11.898 3.648 1.00 0.02 C ATOM 1336 CG TYR D 16 5.089 10.447 3.961 1.00 0.02 C ATOM 1337 CD1 TYR D 16 5.603 9.387 3.114 1.00 0.02 C ATOM 1338 CD2 TYR D 16 4.271 10.125 5.118 1.00 0.02 C ATOM 1339 CE1 TYR D 16 5.298 7.996 3.424 1.00 0.02 C ATOM 1340 CE2 TYR D 16 3.967 8.740 5.431 1.00 0.02 C ATOM 1341 CZ TYR D 16 4.478 7.673 4.586 1.00 0.02 C ATOM 1342 OH TYR D 16 4.188 6.356 4.883 1.00 0.02 O ATOM 0 H TYR D 16 5.744 11.446 1.162 1.00 0.02 H new ATOM 0 HA TYR D 16 7.013 13.154 3.115 1.00 0.02 H new ATOM 0 HB2 TYR D 16 5.365 12.472 4.575 1.00 0.02 H new ATOM 0 HB3 TYR D 16 4.581 12.292 3.018 1.00 0.02 H new ATOM 0 HD1 TYR D 16 6.211 9.629 2.255 1.00 0.02 H new ATOM 0 HD2 TYR D 16 3.889 10.916 5.746 1.00 0.02 H new ATOM 0 HE1 TYR D 16 5.679 7.206 2.794 1.00 0.02 H new ATOM 0 HE2 TYR D 16 3.361 8.502 6.292 1.00 0.02 H new ATOM 0 HH TYR D 16 4.500 6.148 5.788 1.00 0.02 H new ATOM 1352 N LEU D 17 8.392 10.320 2.776 1.00 0.11 N ATOM 1353 CA LEU D 17 9.529 9.518 3.298 1.00 0.11 C ATOM 1354 C LEU D 17 10.791 10.357 3.106 1.00 0.11 C ATOM 1355 O LEU D 17 11.611 10.493 3.992 1.00 0.11 O ATOM 1356 CB LEU D 17 9.649 8.212 2.518 1.00 0.11 C ATOM 1357 CG LEU D 17 10.758 7.362 3.130 1.00 0.11 C ATOM 1358 CD1 LEU D 17 10.154 6.376 4.129 1.00 0.11 C ATOM 1359 CD2 LEU D 17 11.475 6.590 2.023 1.00 0.11 C ATOM 0 H LEU D 17 8.084 10.083 1.833 1.00 0.11 H new ATOM 0 HA LEU D 17 9.380 9.270 4.349 1.00 0.11 H new ATOM 0 HB2 LEU D 17 8.703 7.671 2.544 1.00 0.11 H new ATOM 0 HB3 LEU D 17 9.869 8.419 1.471 1.00 0.11 H new ATOM 0 HG LEU D 17 11.470 8.008 3.644 1.00 0.11 H new ATOM 0 HD11 LEU D 17 10.947 5.769 4.566 1.00 0.11 H new ATOM 0 HD12 LEU D 17 9.641 6.926 4.918 1.00 0.11 H new ATOM 0 HD13 LEU D 17 9.442 5.729 3.616 1.00 0.11 H new ATOM 0 HD21 LEU D 17 12.268 5.982 2.458 1.00 0.11 H new ATOM 0 HD22 LEU D 17 10.763 5.944 1.510 1.00 0.11 H new ATOM 0 HD23 LEU D 17 11.907 7.293 1.310 1.00 0.11 H new ATOM 1371 N VAL D 18 10.927 10.954 1.951 1.00 0.13 N ATOM 1372 CA VAL D 18 12.104 11.822 1.685 1.00 0.13 C ATOM 1373 C VAL D 18 11.984 13.069 2.557 1.00 0.13 C ATOM 1374 O VAL D 18 12.939 13.526 3.150 1.00 0.13 O ATOM 1375 CB VAL D 18 12.103 12.235 0.212 1.00 0.13 C ATOM 1376 CG1 VAL D 18 13.283 13.167 -0.062 1.00 0.13 C ATOM 1377 CG2 VAL D 18 12.227 10.988 -0.668 1.00 0.13 C ATOM 0 H VAL D 18 10.267 10.875 1.178 1.00 0.13 H new ATOM 0 HA VAL D 18 13.028 11.289 1.910 1.00 0.13 H new ATOM 0 HB VAL D 18 11.171 12.753 -0.016 1.00 0.13 H new ATOM 0 HG11 VAL D 18 13.280 13.459 -1.112 1.00 0.13 H new ATOM 0 HG12 VAL D 18 13.197 14.056 0.563 1.00 0.13 H new ATOM 0 HG13 VAL D 18 14.215 12.651 0.168 1.00 0.13 H new ATOM 0 HG21 VAL D 18 12.226 11.282 -1.718 1.00 0.13 H new ATOM 0 HG22 VAL D 18 13.158 10.471 -0.437 1.00 0.13 H new ATOM 0 HG23 VAL D 18 11.385 10.323 -0.477 1.00 0.13 H new ATOM 1387 N CYS D 19 10.808 13.616 2.639 1.00 0.05 N ATOM 1388 CA CYS D 19 10.601 14.829 3.472 1.00 0.05 C ATOM 1389 C CYS D 19 10.768 14.461 4.944 1.00 0.05 C ATOM 1390 O CYS D 19 11.099 15.289 5.768 1.00 0.05 O ATOM 1391 CB CYS D 19 9.187 15.360 3.241 1.00 0.05 C ATOM 1392 SG CYS D 19 9.112 16.187 1.635 1.00 0.05 S ATOM 0 H CYS D 19 9.975 13.273 2.161 1.00 0.05 H new ATOM 0 HA CYS D 19 11.329 15.593 3.200 1.00 0.05 H new ATOM 0 HB2 CYS D 19 8.469 14.541 3.275 1.00 0.05 H new ATOM 0 HB3 CYS D 19 8.914 16.056 4.034 1.00 0.05 H new ATOM 1397 N GLY D 20 10.535 13.223 5.281 1.00 0.15 N ATOM 1398 CA GLY D 20 10.678 12.802 6.700 1.00 0.15 C ATOM 1399 C GLY D 20 9.562 13.433 7.530 1.00 0.15 C ATOM 1400 O GLY D 20 8.440 12.969 7.533 1.00 0.15 O ATOM 0 H GLY D 20 10.252 12.486 4.635 1.00 0.15 H new ATOM 0 HA2 GLY D 20 10.633 11.716 6.775 1.00 0.15 H new ATOM 0 HA3 GLY D 20 11.651 13.108 7.086 1.00 0.15 H new ATOM 1404 N GLU D 21 9.858 14.484 8.236 1.00 0.43 N ATOM 1405 CA GLU D 21 8.810 15.136 9.063 1.00 0.43 C ATOM 1406 C GLU D 21 8.206 16.307 8.290 1.00 0.43 C ATOM 1407 O GLU D 21 7.087 16.710 8.531 1.00 0.43 O ATOM 1408 CB GLU D 21 9.434 15.651 10.360 1.00 0.43 C ATOM 1409 CG GLU D 21 9.995 14.471 11.156 1.00 0.43 C ATOM 1410 CD GLU D 21 11.086 14.971 12.108 1.00 0.43 C ATOM 1411 OE1 GLU D 21 10.739 15.584 13.107 1.00 0.43 O ATOM 1412 OE2 GLU D 21 12.251 14.731 11.822 1.00 0.43 O ATOM 0 H GLU D 21 10.779 14.920 8.276 1.00 0.43 H new ATOM 0 HA GLU D 21 8.028 14.413 9.296 1.00 0.43 H new ATOM 0 HB2 GLU D 21 10.228 16.364 10.137 1.00 0.43 H new ATOM 0 HB3 GLU D 21 8.687 16.181 10.951 1.00 0.43 H new ATOM 0 HG2 GLU D 21 9.198 13.988 11.721 1.00 0.43 H new ATOM 0 HG3 GLU D 21 10.404 13.722 10.478 1.00 0.43 H new ATOM 1419 N ARG D 22 8.940 16.861 7.364 1.00 0.33 N ATOM 1420 CA ARG D 22 8.399 18.008 6.584 1.00 0.33 C ATOM 1421 C ARG D 22 7.135 17.562 5.847 1.00 0.33 C ATOM 1422 O ARG D 22 6.910 16.386 5.633 1.00 0.33 O ATOM 1423 CB ARG D 22 9.444 18.482 5.569 1.00 0.33 C ATOM 1424 CG ARG D 22 10.813 18.582 6.248 1.00 0.33 C ATOM 1425 CD ARG D 22 11.420 19.961 5.988 1.00 0.33 C ATOM 1426 NE ARG D 22 12.526 19.835 4.998 1.00 0.33 N ATOM 1427 CZ ARG D 22 12.355 20.254 3.772 1.00 0.33 C ATOM 1428 NH1 ARG D 22 11.885 21.453 3.550 1.00 0.33 N ATOM 1429 NH2 ARG D 22 12.653 19.471 2.768 1.00 0.33 N ATOM 0 H ARG D 22 9.886 16.570 7.115 1.00 0.33 H new ATOM 0 HA ARG D 22 8.160 18.829 7.261 1.00 0.33 H new ATOM 0 HB2 ARG D 22 9.493 17.787 4.731 1.00 0.33 H new ATOM 0 HB3 ARG D 22 9.157 19.452 5.163 1.00 0.33 H new ATOM 0 HG2 ARG D 22 10.710 18.416 7.320 1.00 0.33 H new ATOM 0 HG3 ARG D 22 11.476 17.805 5.867 1.00 0.33 H new ATOM 0 HD2 ARG D 22 10.656 20.642 5.612 1.00 0.33 H new ATOM 0 HD3 ARG D 22 11.796 20.386 6.918 1.00 0.33 H new ATOM 0 HE ARG D 22 13.416 19.422 5.277 1.00 0.33 H new ATOM 0 HH11 ARG D 22 11.651 22.062 4.334 1.00 0.33 H new ATOM 0 HH12 ARG D 22 11.752 21.779 2.593 1.00 0.33 H new ATOM 0 HH21 ARG D 22 13.018 18.535 2.942 1.00 0.33 H new ATOM 0 HH22 ARG D 22 12.520 19.796 1.810 1.00 0.33 H new ATOM 1443 N GLY D 23 6.304 18.489 5.461 1.00 0.01 N ATOM 1444 CA GLY D 23 5.054 18.116 4.742 1.00 0.01 C ATOM 1445 C GLY D 23 5.252 18.289 3.242 1.00 0.01 C ATOM 1446 O GLY D 23 6.314 18.655 2.788 1.00 0.01 O ATOM 0 H GLY D 23 6.436 19.489 5.612 1.00 0.01 H new ATOM 0 HA2 GLY D 23 4.789 17.083 4.967 1.00 0.01 H new ATOM 0 HA3 GLY D 23 4.227 18.739 5.083 1.00 0.01 H new ATOM 1450 N PHE D 24 4.238 18.027 2.465 1.00 0.01 N ATOM 1451 CA PHE D 24 4.377 18.184 0.995 1.00 0.01 C ATOM 1452 C PHE D 24 3.000 18.418 0.375 1.00 0.01 C ATOM 1453 O PHE D 24 2.008 17.878 0.823 1.00 0.01 O ATOM 1454 CB PHE D 24 5.028 16.925 0.397 1.00 0.01 C ATOM 1455 CG PHE D 24 4.120 15.726 0.560 1.00 0.01 C ATOM 1456 CD1 PHE D 24 3.993 15.073 1.852 1.00 0.01 C ATOM 1457 CD2 PHE D 24 3.370 15.229 -0.583 1.00 0.01 C ATOM 1458 CE1 PHE D 24 3.116 13.921 2.002 1.00 0.01 C ATOM 1459 CE2 PHE D 24 2.495 14.078 -0.433 1.00 0.01 C ATOM 1460 CZ PHE D 24 2.367 13.424 0.860 1.00 0.01 C ATOM 0 H PHE D 24 3.322 17.712 2.786 1.00 0.01 H new ATOM 0 HA PHE D 24 5.013 19.042 0.777 1.00 0.01 H new ATOM 0 HB2 PHE D 24 5.240 17.086 -0.660 1.00 0.01 H new ATOM 0 HB3 PHE D 24 5.982 16.734 0.888 1.00 0.01 H new ATOM 0 HD1 PHE D 24 4.549 15.442 2.701 1.00 0.01 H new ATOM 0 HD2 PHE D 24 3.463 15.715 -1.543 1.00 0.01 H new ATOM 0 HE1 PHE D 24 3.022 13.435 2.962 1.00 0.01 H new ATOM 0 HE2 PHE D 24 1.940 13.708 -1.282 1.00 0.01 H new ATOM 0 HZ PHE D 24 1.716 12.570 0.971 1.00 0.01 H new ATOM 1470 N PHE D 25 2.934 19.205 -0.656 1.00 0.32 N ATOM 1471 CA PHE D 25 1.617 19.454 -1.306 1.00 0.32 C ATOM 1472 C PHE D 25 1.473 18.530 -2.514 1.00 0.32 C ATOM 1473 O PHE D 25 2.257 18.570 -3.436 1.00 0.32 O ATOM 1474 CB PHE D 25 1.498 20.919 -1.749 1.00 0.32 C ATOM 1475 CG PHE D 25 2.786 21.376 -2.381 1.00 0.32 C ATOM 1476 CD1 PHE D 25 3.017 21.168 -3.801 1.00 0.32 C ATOM 1477 CD2 PHE D 25 3.801 22.021 -1.564 1.00 0.32 C ATOM 1478 CE1 PHE D 25 4.266 21.606 -4.406 1.00 0.32 C ATOM 1479 CE2 PHE D 25 5.049 22.461 -2.168 1.00 0.32 C ATOM 1480 CZ PHE D 25 5.282 22.252 -3.590 1.00 0.32 C ATOM 0 H PHE D 25 3.728 19.686 -1.078 1.00 0.32 H new ATOM 0 HA PHE D 25 0.822 19.251 -0.588 1.00 0.32 H new ATOM 0 HB2 PHE D 25 0.678 21.027 -2.459 1.00 0.32 H new ATOM 0 HB3 PHE D 25 1.262 21.548 -0.891 1.00 0.32 H new ATOM 0 HD1 PHE D 25 2.262 20.689 -4.407 1.00 0.32 H new ATOM 0 HD2 PHE D 25 3.628 22.173 -0.509 1.00 0.32 H new ATOM 0 HE1 PHE D 25 4.438 21.451 -5.461 1.00 0.32 H new ATOM 0 HE2 PHE D 25 5.802 22.942 -1.562 1.00 0.32 H new ATOM 0 HZ PHE D 25 6.209 22.577 -4.039 1.00 0.32 H new ATOM 1490 N TYR D 26 0.478 17.689 -2.503 1.00 0.00 N ATOM 1491 CA TYR D 26 0.279 16.748 -3.636 1.00 0.00 C ATOM 1492 C TYR D 26 -0.937 17.182 -4.453 1.00 0.00 C ATOM 1493 O TYR D 26 -2.056 17.143 -3.987 1.00 0.00 O ATOM 1494 CB TYR D 26 0.045 15.346 -3.082 1.00 0.00 C ATOM 1495 CG TYR D 26 0.034 14.345 -4.207 1.00 0.00 C ATOM 1496 CD1 TYR D 26 1.284 13.787 -4.695 1.00 0.00 C ATOM 1497 CD2 TYR D 26 -1.227 13.930 -4.798 1.00 0.00 C ATOM 1498 CE1 TYR D 26 1.274 12.812 -5.774 1.00 0.00 C ATOM 1499 CE2 TYR D 26 -1.239 12.955 -5.879 1.00 0.00 C ATOM 1500 CZ TYR D 26 0.012 12.396 -6.365 1.00 0.00 C ATOM 1501 OH TYR D 26 -0.001 11.472 -7.388 1.00 0.00 O ATOM 0 H TYR D 26 -0.209 17.614 -1.753 1.00 0.00 H new ATOM 0 HA TYR D 26 1.162 16.750 -4.276 1.00 0.00 H new ATOM 0 HB2 TYR D 26 0.827 15.093 -2.366 1.00 0.00 H new ATOM 0 HB3 TYR D 26 -0.902 15.312 -2.544 1.00 0.00 H new ATOM 0 HD1 TYR D 26 2.221 14.097 -4.256 1.00 0.00 H new ATOM 0 HD2 TYR D 26 -2.156 14.345 -4.435 1.00 0.00 H new ATOM 0 HE1 TYR D 26 2.203 12.397 -6.136 1.00 0.00 H new ATOM 0 HE2 TYR D 26 -2.176 12.647 -6.319 1.00 0.00 H new ATOM 0 HH TYR D 26 -0.669 11.733 -8.056 1.00 0.00 H new ATOM 1511 N THR D 27 -0.726 17.590 -5.669 1.00 0.21 N ATOM 1512 CA THR D 27 -1.865 18.019 -6.520 1.00 0.21 C ATOM 1513 C THR D 27 -1.847 17.207 -7.828 1.00 0.21 C ATOM 1514 O THR D 27 -1.068 17.511 -8.705 1.00 0.21 O ATOM 1515 CB THR D 27 -1.728 19.508 -6.839 1.00 0.21 C ATOM 1516 OG1 THR D 27 -1.604 20.236 -5.627 1.00 0.21 O ATOM 1517 CG2 THR D 27 -2.964 19.986 -7.595 1.00 0.21 C ATOM 0 H THR D 27 0.191 17.645 -6.113 1.00 0.21 H new ATOM 0 HA THR D 27 -2.805 17.848 -5.995 1.00 0.21 H new ATOM 0 HB THR D 27 -0.844 19.669 -7.456 1.00 0.21 H new ATOM 0 HG1 THR D 27 -1.514 21.191 -5.827 1.00 0.21 H new ATOM 0 HG21 THR D 27 -2.864 21.048 -7.821 1.00 0.21 H new ATOM 0 HG22 THR D 27 -3.062 19.425 -8.524 1.00 0.21 H new ATOM 0 HG23 THR D 27 -3.850 19.828 -6.980 1.00 0.21 H new ATOM 1525 N PRO D 28 -2.689 16.185 -7.941 1.00 0.04 N ATOM 1526 CA PRO D 28 -2.719 15.352 -9.155 1.00 0.04 C ATOM 1527 C PRO D 28 -3.461 16.070 -10.287 1.00 0.04 C ATOM 1528 O PRO D 28 -3.332 15.719 -11.443 1.00 0.04 O ATOM 1529 CB PRO D 28 -3.465 14.090 -8.715 1.00 0.04 C ATOM 1530 CG PRO D 28 -4.303 14.481 -7.477 1.00 0.04 C ATOM 1531 CD PRO D 28 -3.679 15.767 -6.913 1.00 0.04 C ATOM 0 HA PRO D 28 -1.725 15.133 -9.545 1.00 0.04 H new ATOM 0 HB2 PRO D 28 -4.106 13.720 -9.515 1.00 0.04 H new ATOM 0 HB3 PRO D 28 -2.765 13.291 -8.472 1.00 0.04 H new ATOM 0 HG2 PRO D 28 -5.346 14.644 -7.750 1.00 0.04 H new ATOM 0 HG3 PRO D 28 -4.289 13.685 -6.733 1.00 0.04 H new ATOM 0 HD2 PRO D 28 -4.434 16.537 -6.753 1.00 0.04 H new ATOM 0 HD3 PRO D 28 -3.199 15.586 -5.951 1.00 0.04 H new ATOM 1539 N LYS D 29 -4.229 17.077 -9.973 1.00 0.42 N ATOM 1540 CA LYS D 29 -4.957 17.808 -11.046 1.00 0.42 C ATOM 1541 C LYS D 29 -3.947 18.594 -11.881 1.00 0.42 C ATOM 1542 O LYS D 29 -3.833 19.800 -11.767 1.00 0.42 O ATOM 1543 CB LYS D 29 -5.967 18.772 -10.418 1.00 0.42 C ATOM 1544 CG LYS D 29 -7.270 18.738 -11.221 1.00 0.42 C ATOM 1545 CD LYS D 29 -7.095 19.537 -12.515 1.00 0.42 C ATOM 1546 CE LYS D 29 -7.061 21.033 -12.189 1.00 0.42 C ATOM 1547 NZ LYS D 29 -8.171 21.723 -12.908 1.00 0.42 N ATOM 0 H LYS D 29 -4.383 17.423 -9.026 1.00 0.42 H new ATOM 0 HA LYS D 29 -5.489 17.099 -11.681 1.00 0.42 H new ATOM 0 HB2 LYS D 29 -6.158 18.492 -9.382 1.00 0.42 H new ATOM 0 HB3 LYS D 29 -5.561 19.784 -10.405 1.00 0.42 H new ATOM 0 HG2 LYS D 29 -7.541 17.708 -11.451 1.00 0.42 H new ATOM 0 HG3 LYS D 29 -8.085 19.157 -10.630 1.00 0.42 H new ATOM 0 HD2 LYS D 29 -6.173 19.242 -13.016 1.00 0.42 H new ATOM 0 HD3 LYS D 29 -7.914 19.322 -13.202 1.00 0.42 H new ATOM 0 HE2 LYS D 29 -7.160 21.184 -11.114 1.00 0.42 H new ATOM 0 HE3 LYS D 29 -6.102 21.459 -12.484 1.00 0.42 H new ATOM 0 HZ1 LYS D 29 -8.149 22.739 -12.687 1.00 0.42 H new ATOM 0 HZ2 LYS D 29 -8.057 21.589 -13.933 1.00 0.42 H new ATOM 0 HZ3 LYS D 29 -9.082 21.323 -12.606 1.00 0.42 H new ATOM 1561 N THR D 30 -3.207 17.919 -12.718 1.00 0.41 N ATOM 1562 CA THR D 30 -2.198 18.626 -13.560 1.00 0.41 C ATOM 1563 C THR D 30 -2.917 19.450 -14.636 1.00 0.41 C ATOM 1564 O THR D 30 -3.364 18.860 -15.609 1.00 0.41 O ATOM 1565 CB THR D 30 -1.278 17.599 -14.233 1.00 0.41 C ATOM 1566 OG1 THR D 30 -0.733 16.733 -13.244 1.00 0.41 O ATOM 1567 CG2 THR D 30 -0.144 18.327 -14.961 1.00 0.41 C ATOM 1568 OXT THR D 30 -3.006 20.660 -14.470 1.00 0.41 O ATOM 0 H THR D 30 -3.257 16.910 -12.856 1.00 0.41 H new ATOM 0 HA THR D 30 -1.603 19.288 -12.931 1.00 0.41 H new ATOM 0 HB THR D 30 -1.850 17.013 -14.952 1.00 0.41 H new ATOM 0 HG1 THR D 30 -0.146 16.075 -13.673 1.00 0.41 H new ATOM 0 HG21 THR D 30 0.509 17.597 -15.439 1.00 0.41 H new ATOM 0 HG22 THR D 30 -0.564 18.989 -15.718 1.00 0.41 H new ATOM 0 HG23 THR D 30 0.431 18.914 -14.244 1.00 0.41 H new TER 1576 THR D 30 ATOM 1577 N GLY E 1 -14.065 -11.213 14.038 1.00 0.30 N ATOM 1578 CA GLY E 1 -14.466 -12.246 13.039 1.00 0.30 C ATOM 1579 C GLY E 1 -13.276 -12.565 12.131 1.00 0.30 C ATOM 1580 O GLY E 1 -12.681 -13.622 12.216 1.00 0.30 O ATOM 0 H1 GLY E 1 -14.702 -11.259 14.859 1.00 0.30 H new ATOM 0 H2 GLY E 1 -13.088 -11.390 14.347 1.00 0.30 H new ATOM 0 H3 GLY E 1 -14.126 -10.269 13.605 1.00 0.30 H new ATOM 0 HA2 GLY E 1 -14.801 -13.149 13.548 1.00 0.30 H new ATOM 0 HA3 GLY E 1 -15.305 -11.886 12.444 1.00 0.30 H new ATOM 1586 N ILE E 2 -12.921 -11.657 11.265 1.00 0.03 N ATOM 1587 CA ILE E 2 -11.767 -11.909 10.358 1.00 0.03 C ATOM 1588 C ILE E 2 -10.692 -10.856 10.614 1.00 0.03 C ATOM 1589 O ILE E 2 -9.511 -11.137 10.585 1.00 0.03 O ATOM 1590 CB ILE E 2 -12.230 -11.821 8.904 1.00 0.03 C ATOM 1591 CG1 ILE E 2 -11.039 -12.070 7.976 1.00 0.03 C ATOM 1592 CG2 ILE E 2 -12.802 -10.428 8.635 1.00 0.03 C ATOM 1593 CD1 ILE E 2 -11.535 -12.187 6.534 1.00 0.03 C ATOM 0 H ILE E 2 -13.379 -10.753 11.146 1.00 0.03 H new ATOM 0 HA ILE E 2 -11.362 -12.903 10.547 1.00 0.03 H new ATOM 0 HB ILE E 2 -12.999 -12.571 8.720 1.00 0.03 H new ATOM 0 HG12 ILE E 2 -10.321 -11.254 8.060 1.00 0.03 H new ATOM 0 HG13 ILE E 2 -10.520 -12.983 8.269 1.00 0.03 H new ATOM 0 HG21 ILE E 2 -13.132 -10.364 7.598 1.00 0.03 H new ATOM 0 HG22 ILE E 2 -13.649 -10.248 9.297 1.00 0.03 H new ATOM 0 HG23 ILE E 2 -12.033 -9.677 8.817 1.00 0.03 H new ATOM 0 HD11 ILE E 2 -10.688 -12.364 5.871 1.00 0.03 H new ATOM 0 HD12 ILE E 2 -12.236 -13.018 6.457 1.00 0.03 H new ATOM 0 HD13 ILE E 2 -12.035 -11.262 6.245 1.00 0.03 H new ATOM 1605 N VAL E 3 -11.094 -9.645 10.867 1.00 0.00 N ATOM 1606 CA VAL E 3 -10.098 -8.572 11.127 1.00 0.00 C ATOM 1607 C VAL E 3 -9.469 -8.781 12.502 1.00 0.00 C ATOM 1608 O VAL E 3 -8.268 -8.895 12.642 1.00 0.00 O ATOM 1609 CB VAL E 3 -10.803 -7.218 11.096 1.00 0.00 C ATOM 1610 CG1 VAL E 3 -9.761 -6.104 11.155 1.00 0.00 C ATOM 1611 CG2 VAL E 3 -11.611 -7.095 9.803 1.00 0.00 C ATOM 0 H VAL E 3 -12.070 -9.351 10.905 1.00 0.00 H new ATOM 0 HA VAL E 3 -9.320 -8.603 10.364 1.00 0.00 H new ATOM 0 HB VAL E 3 -11.473 -7.135 11.951 1.00 0.00 H new ATOM 0 HG11 VAL E 3 -10.262 -5.136 11.133 1.00 0.00 H new ATOM 0 HG12 VAL E 3 -9.184 -6.194 12.076 1.00 0.00 H new ATOM 0 HG13 VAL E 3 -9.092 -6.186 10.298 1.00 0.00 H new ATOM 0 HG21 VAL E 3 -12.115 -6.129 9.779 1.00 0.00 H new ATOM 0 HG22 VAL E 3 -10.942 -7.176 8.947 1.00 0.00 H new ATOM 0 HG23 VAL E 3 -12.353 -7.892 9.760 1.00 0.00 H new ATOM 1621 N GLU E 4 -10.276 -8.827 13.519 1.00 0.39 N ATOM 1622 CA GLU E 4 -9.742 -9.024 14.893 1.00 0.39 C ATOM 1623 C GLU E 4 -8.950 -10.330 14.961 1.00 0.39 C ATOM 1624 O GLU E 4 -8.095 -10.507 15.803 1.00 0.39 O ATOM 1625 CB GLU E 4 -10.919 -9.104 15.865 1.00 0.39 C ATOM 1626 CG GLU E 4 -10.514 -8.509 17.213 1.00 0.39 C ATOM 1627 CD GLU E 4 -11.732 -8.486 18.140 1.00 0.39 C ATOM 1628 OE1 GLU E 4 -12.621 -7.683 17.897 1.00 0.39 O ATOM 1629 OE2 GLU E 4 -11.757 -9.273 19.075 1.00 0.39 O ATOM 0 H GLU E 4 -11.290 -8.736 13.459 1.00 0.39 H new ATOM 0 HA GLU E 4 -9.086 -8.193 15.154 1.00 0.39 H new ATOM 0 HB2 GLU E 4 -11.775 -8.564 15.460 1.00 0.39 H new ATOM 0 HB3 GLU E 4 -11.228 -10.141 15.992 1.00 0.39 H new ATOM 0 HG2 GLU E 4 -9.714 -9.100 17.659 1.00 0.39 H new ATOM 0 HG3 GLU E 4 -10.127 -7.499 17.077 1.00 0.39 H new ATOM 1636 N GLN E 5 -9.246 -11.253 14.099 1.00 0.23 N ATOM 1637 CA GLN E 5 -8.535 -12.559 14.132 1.00 0.23 C ATOM 1638 C GLN E 5 -7.207 -12.472 13.373 1.00 0.23 C ATOM 1639 O GLN E 5 -6.231 -13.088 13.750 1.00 0.23 O ATOM 1640 CB GLN E 5 -9.433 -13.613 13.477 1.00 0.23 C ATOM 1641 CG GLN E 5 -8.726 -14.969 13.460 1.00 0.23 C ATOM 1642 CD GLN E 5 -9.486 -15.917 12.533 1.00 0.23 C ATOM 1643 OE1 GLN E 5 -10.701 -15.958 12.552 1.00 0.23 O ATOM 1644 NE2 GLN E 5 -8.822 -16.686 11.714 1.00 0.23 N ATOM 0 H GLN E 5 -9.952 -11.162 13.369 1.00 0.23 H new ATOM 0 HA GLN E 5 -8.319 -12.829 15.166 1.00 0.23 H new ATOM 0 HB2 GLN E 5 -10.373 -13.691 14.023 1.00 0.23 H new ATOM 0 HB3 GLN E 5 -9.680 -13.310 12.459 1.00 0.23 H new ATOM 0 HG2 GLN E 5 -7.698 -14.853 13.118 1.00 0.23 H new ATOM 0 HG3 GLN E 5 -8.682 -15.383 14.467 1.00 0.23 H new ATOM 0 HE21 GLN E 5 -7.803 -16.653 11.697 1.00 0.23 H new ATOM 0 HE22 GLN E 5 -9.322 -17.320 11.091 1.00 0.23 H new ATOM 1653 N CYS E 6 -7.164 -11.740 12.294 1.00 0.00 N ATOM 1654 CA CYS E 6 -5.899 -11.660 11.510 1.00 0.00 C ATOM 1655 C CYS E 6 -5.110 -10.402 11.868 1.00 0.00 C ATOM 1656 O CYS E 6 -3.922 -10.330 11.622 1.00 0.00 O ATOM 1657 CB CYS E 6 -6.229 -11.647 10.019 1.00 0.00 C ATOM 1658 SG CYS E 6 -7.257 -13.084 9.618 1.00 0.00 S ATOM 0 H CYS E 6 -7.944 -11.197 11.923 1.00 0.00 H new ATOM 0 HA CYS E 6 -5.287 -12.529 11.751 1.00 0.00 H new ATOM 0 HB2 CYS E 6 -6.753 -10.727 9.759 1.00 0.00 H new ATOM 0 HB3 CYS E 6 -5.311 -11.667 9.432 1.00 0.00 H new ATOM 1663 N CYS E 7 -5.738 -9.416 12.445 1.00 0.08 N ATOM 1664 CA CYS E 7 -4.985 -8.181 12.810 1.00 0.08 C ATOM 1665 C CYS E 7 -4.499 -8.285 14.262 1.00 0.08 C ATOM 1666 O CYS E 7 -4.188 -7.294 14.891 1.00 0.08 O ATOM 1667 CB CYS E 7 -5.884 -6.951 12.647 1.00 0.08 C ATOM 1668 SG CYS E 7 -4.861 -5.454 12.668 1.00 0.08 S ATOM 0 H CYS E 7 -6.731 -9.410 12.679 1.00 0.08 H new ATOM 0 HA CYS E 7 -4.124 -8.078 12.149 1.00 0.08 H new ATOM 0 HB2 CYS E 7 -6.439 -7.013 11.711 1.00 0.08 H new ATOM 0 HB3 CYS E 7 -6.619 -6.914 13.451 1.00 0.08 H new ATOM 1673 N THR E 8 -4.415 -9.476 14.796 1.00 0.28 N ATOM 1674 CA THR E 8 -3.934 -9.635 16.197 1.00 0.28 C ATOM 1675 C THR E 8 -2.666 -10.482 16.193 1.00 0.28 C ATOM 1676 O THR E 8 -1.701 -10.181 16.866 1.00 0.28 O ATOM 1677 CB THR E 8 -5.001 -10.336 17.040 1.00 0.28 C ATOM 1678 OG1 THR E 8 -5.487 -11.471 16.338 1.00 0.28 O ATOM 1679 CG2 THR E 8 -6.153 -9.369 17.317 1.00 0.28 C ATOM 0 H THR E 8 -4.659 -10.345 14.321 1.00 0.28 H new ATOM 0 HA THR E 8 -3.729 -8.652 16.622 1.00 0.28 H new ATOM 0 HB THR E 8 -4.565 -10.655 17.987 1.00 0.28 H new ATOM 0 HG1 THR E 8 -6.409 -11.307 16.050 1.00 0.28 H new ATOM 0 HG21 THR E 8 -6.912 -9.870 17.918 1.00 0.28 H new ATOM 0 HG22 THR E 8 -5.777 -8.501 17.858 1.00 0.28 H new ATOM 0 HG23 THR E 8 -6.592 -9.046 16.373 1.00 0.28 H new ATOM 1687 N SER E 9 -2.659 -11.544 15.436 1.00 0.33 N ATOM 1688 CA SER E 9 -1.451 -12.413 15.384 1.00 0.33 C ATOM 1689 C SER E 9 -1.256 -12.942 13.959 1.00 0.33 C ATOM 1690 O SER E 9 -0.617 -13.952 13.751 1.00 0.33 O ATOM 1691 CB SER E 9 -1.630 -13.587 16.345 1.00 0.33 C ATOM 1692 OG SER E 9 -2.476 -13.189 17.415 1.00 0.33 O ATOM 0 H SER E 9 -3.438 -11.847 14.851 1.00 0.33 H new ATOM 0 HA SER E 9 -0.575 -11.833 15.675 1.00 0.33 H new ATOM 0 HB2 SER E 9 -2.063 -14.439 15.821 1.00 0.33 H new ATOM 0 HB3 SER E 9 -0.662 -13.908 16.731 1.00 0.33 H new ATOM 0 HG SER E 9 -2.595 -13.939 18.034 1.00 0.33 H new ATOM 1698 N ILE E 10 -1.795 -12.261 12.982 1.00 0.15 N ATOM 1699 CA ILE E 10 -1.637 -12.707 11.568 1.00 0.15 C ATOM 1700 C ILE E 10 -2.262 -14.089 11.362 1.00 0.15 C ATOM 1701 O ILE E 10 -1.896 -15.052 12.002 1.00 0.15 O ATOM 1702 CB ILE E 10 -0.148 -12.750 11.211 1.00 0.15 C ATOM 1703 CG1 ILE E 10 0.440 -11.346 11.369 1.00 0.15 C ATOM 1704 CG2 ILE E 10 0.023 -13.211 9.762 1.00 0.15 C ATOM 1705 CD1 ILE E 10 1.967 -11.421 11.321 1.00 0.15 C ATOM 0 H ILE E 10 -2.342 -11.409 13.105 1.00 0.15 H new ATOM 0 HA ILE E 10 -2.150 -11.999 10.917 1.00 0.15 H new ATOM 0 HB ILE E 10 0.367 -13.447 11.872 1.00 0.15 H new ATOM 0 HG12 ILE E 10 0.073 -10.695 10.575 1.00 0.15 H new ATOM 0 HG13 ILE E 10 0.117 -10.910 12.314 1.00 0.15 H new ATOM 0 HG21 ILE E 10 1.084 -13.240 9.512 1.00 0.15 H new ATOM 0 HG22 ILE E 10 -0.405 -14.206 9.644 1.00 0.15 H new ATOM 0 HG23 ILE E 10 -0.488 -12.515 9.096 1.00 0.15 H new ATOM 0 HD11 ILE E 10 2.384 -10.420 11.434 1.00 0.15 H new ATOM 0 HD12 ILE E 10 2.326 -12.057 12.130 1.00 0.15 H new ATOM 0 HD13 ILE E 10 2.281 -11.839 10.365 1.00 0.15 H new ATOM 1717 N CYS E 11 -3.198 -14.185 10.457 1.00 0.04 N ATOM 1718 CA CYS E 11 -3.847 -15.496 10.184 1.00 0.04 C ATOM 1719 C CYS E 11 -2.933 -16.327 9.286 1.00 0.04 C ATOM 1720 O CYS E 11 -2.094 -15.801 8.582 1.00 0.04 O ATOM 1721 CB CYS E 11 -5.178 -15.271 9.464 1.00 0.04 C ATOM 1722 SG CYS E 11 -6.400 -14.614 10.622 1.00 0.04 S ATOM 0 H CYS E 11 -3.541 -13.407 9.893 1.00 0.04 H new ATOM 0 HA CYS E 11 -4.024 -16.016 11.125 1.00 0.04 H new ATOM 0 HB2 CYS E 11 -5.040 -14.577 8.635 1.00 0.04 H new ATOM 0 HB3 CYS E 11 -5.535 -16.209 9.039 1.00 0.04 H new ATOM 1727 N SER E 12 -3.092 -17.619 9.295 1.00 0.24 N ATOM 1728 CA SER E 12 -2.235 -18.476 8.431 1.00 0.24 C ATOM 1729 C SER E 12 -2.888 -18.613 7.056 1.00 0.24 C ATOM 1730 O SER E 12 -4.065 -18.360 6.888 1.00 0.24 O ATOM 1731 CB SER E 12 -2.086 -19.858 9.070 1.00 0.24 C ATOM 1732 OG SER E 12 -3.367 -20.332 9.467 1.00 0.24 O ATOM 0 H SER E 12 -3.777 -18.119 9.862 1.00 0.24 H new ATOM 0 HA SER E 12 -1.250 -18.022 8.324 1.00 0.24 H new ATOM 0 HB2 SER E 12 -1.632 -20.552 8.362 1.00 0.24 H new ATOM 0 HB3 SER E 12 -1.422 -19.803 9.933 1.00 0.24 H new ATOM 0 HG SER E 12 -3.533 -20.084 10.401 1.00 0.24 H new ATOM 1738 N LEU E 13 -2.133 -19.011 6.070 1.00 0.20 N ATOM 1739 CA LEU E 13 -2.702 -19.162 4.699 1.00 0.20 C ATOM 1740 C LEU E 13 -3.958 -20.038 4.736 1.00 0.20 C ATOM 1741 O LEU E 13 -4.957 -19.731 4.118 1.00 0.20 O ATOM 1742 CB LEU E 13 -1.660 -19.813 3.793 1.00 0.20 C ATOM 1743 CG LEU E 13 -2.069 -19.626 2.334 1.00 0.20 C ATOM 1744 CD1 LEU E 13 -0.817 -19.437 1.477 1.00 0.20 C ATOM 1745 CD2 LEU E 13 -2.831 -20.865 1.855 1.00 0.20 C ATOM 0 H LEU E 13 -1.142 -19.239 6.154 1.00 0.20 H new ATOM 0 HA LEU E 13 -2.970 -18.177 4.315 1.00 0.20 H new ATOM 0 HB2 LEU E 13 -0.681 -19.367 3.968 1.00 0.20 H new ATOM 0 HB3 LEU E 13 -1.573 -20.875 4.025 1.00 0.20 H new ATOM 0 HG LEU E 13 -2.709 -18.748 2.245 1.00 0.20 H new ATOM 0 HD11 LEU E 13 -1.106 -19.303 0.435 1.00 0.20 H new ATOM 0 HD12 LEU E 13 -0.272 -18.557 1.818 1.00 0.20 H new ATOM 0 HD13 LEU E 13 -0.179 -20.316 1.566 1.00 0.20 H new ATOM 0 HD21 LEU E 13 -3.123 -20.732 0.813 1.00 0.20 H new ATOM 0 HD22 LEU E 13 -2.191 -21.743 1.943 1.00 0.20 H new ATOM 0 HD23 LEU E 13 -3.722 -21.003 2.467 1.00 0.20 H new ATOM 1757 N TYR E 14 -3.917 -21.131 5.448 1.00 0.52 N ATOM 1758 CA TYR E 14 -5.110 -22.024 5.508 1.00 0.52 C ATOM 1759 C TYR E 14 -6.257 -21.313 6.225 1.00 0.52 C ATOM 1760 O TYR E 14 -7.415 -21.596 5.994 1.00 0.52 O ATOM 1761 CB TYR E 14 -4.752 -23.307 6.261 1.00 0.52 C ATOM 1762 CG TYR E 14 -3.698 -24.054 5.482 1.00 0.52 C ATOM 1763 CD1 TYR E 14 -4.041 -24.682 4.217 1.00 0.52 C ATOM 1764 CD2 TYR E 14 -2.338 -24.134 5.989 1.00 0.52 C ATOM 1765 CE1 TYR E 14 -3.022 -25.391 3.457 1.00 0.52 C ATOM 1766 CE2 TYR E 14 -1.320 -24.844 5.231 1.00 0.52 C ATOM 1767 CZ TYR E 14 -1.661 -25.472 3.963 1.00 0.52 C ATOM 1768 OH TYR E 14 -0.694 -26.142 3.241 1.00 0.52 O ATOM 0 H TYR E 14 -3.111 -21.444 5.990 1.00 0.52 H new ATOM 0 HA TYR E 14 -5.422 -22.272 4.494 1.00 0.52 H new ATOM 0 HB2 TYR E 14 -4.384 -23.068 7.259 1.00 0.52 H new ATOM 0 HB3 TYR E 14 -5.638 -23.929 6.388 1.00 0.52 H new ATOM 0 HD1 TYR E 14 -5.052 -24.623 3.841 1.00 0.52 H new ATOM 0 HD2 TYR E 14 -2.084 -23.666 6.929 1.00 0.52 H new ATOM 0 HE1 TYR E 14 -3.277 -25.857 2.517 1.00 0.52 H new ATOM 0 HE2 TYR E 14 -0.310 -24.905 5.609 1.00 0.52 H new ATOM 0 HH TYR E 14 0.160 -26.100 3.720 1.00 0.52 H new ATOM 1778 N GLN E 15 -5.950 -20.395 7.096 1.00 0.23 N ATOM 1779 CA GLN E 15 -7.031 -19.676 7.825 1.00 0.23 C ATOM 1780 C GLN E 15 -7.676 -18.648 6.899 1.00 0.23 C ATOM 1781 O GLN E 15 -8.861 -18.382 6.973 1.00 0.23 O ATOM 1782 CB GLN E 15 -6.435 -18.957 9.034 1.00 0.23 C ATOM 1783 CG GLN E 15 -6.495 -19.872 10.256 1.00 0.23 C ATOM 1784 CD GLN E 15 -5.734 -19.221 11.411 1.00 0.23 C ATOM 1785 OE1 GLN E 15 -4.520 -19.264 11.453 1.00 0.23 O ATOM 1786 NE2 GLN E 15 -6.401 -18.614 12.354 1.00 0.23 N ATOM 0 H GLN E 15 -5.000 -20.111 7.335 1.00 0.23 H new ATOM 0 HA GLN E 15 -7.783 -20.393 8.155 1.00 0.23 H new ATOM 0 HB2 GLN E 15 -5.402 -18.675 8.829 1.00 0.23 H new ATOM 0 HB3 GLN E 15 -6.985 -18.036 9.229 1.00 0.23 H new ATOM 0 HG2 GLN E 15 -7.532 -20.049 10.542 1.00 0.23 H new ATOM 0 HG3 GLN E 15 -6.060 -20.843 10.020 1.00 0.23 H new ATOM 0 HE21 GLN E 15 -7.420 -18.579 12.317 1.00 0.23 H new ATOM 0 HE22 GLN E 15 -5.904 -18.174 13.128 1.00 0.23 H new ATOM 1795 N LEU E 16 -6.899 -18.060 6.033 1.00 0.02 N ATOM 1796 CA LEU E 16 -7.454 -17.037 5.102 1.00 0.02 C ATOM 1797 C LEU E 16 -8.356 -17.709 4.064 1.00 0.02 C ATOM 1798 O LEU E 16 -9.289 -17.115 3.562 1.00 0.02 O ATOM 1799 CB LEU E 16 -6.295 -16.329 4.401 1.00 0.02 C ATOM 1800 CG LEU E 16 -5.435 -15.614 5.446 1.00 0.02 C ATOM 1801 CD1 LEU E 16 -4.184 -15.043 4.780 1.00 0.02 C ATOM 1802 CD2 LEU E 16 -6.238 -14.478 6.077 1.00 0.02 C ATOM 0 H LEU E 16 -5.901 -18.244 5.929 1.00 0.02 H new ATOM 0 HA LEU E 16 -8.046 -16.313 5.662 1.00 0.02 H new ATOM 0 HB2 LEU E 16 -5.693 -17.051 3.849 1.00 0.02 H new ATOM 0 HB3 LEU E 16 -6.677 -15.612 3.675 1.00 0.02 H new ATOM 0 HG LEU E 16 -5.141 -16.325 6.218 1.00 0.02 H new ATOM 0 HD11 LEU E 16 -3.574 -14.535 5.527 1.00 0.02 H new ATOM 0 HD12 LEU E 16 -3.609 -15.853 4.332 1.00 0.02 H new ATOM 0 HD13 LEU E 16 -4.476 -14.333 4.006 1.00 0.02 H new ATOM 0 HD21 LEU E 16 -5.625 -13.969 6.821 1.00 0.02 H new ATOM 0 HD22 LEU E 16 -6.534 -13.769 5.304 1.00 0.02 H new ATOM 0 HD23 LEU E 16 -7.128 -14.885 6.557 1.00 0.02 H new ATOM 1814 N GLU E 17 -8.088 -18.942 3.742 1.00 0.29 N ATOM 1815 CA GLU E 17 -8.929 -19.654 2.738 1.00 0.29 C ATOM 1816 C GLU E 17 -10.389 -19.695 3.204 1.00 0.29 C ATOM 1817 O GLU E 17 -11.304 -19.579 2.416 1.00 0.29 O ATOM 1818 CB GLU E 17 -8.415 -21.083 2.576 1.00 0.29 C ATOM 1819 CG GLU E 17 -7.490 -21.157 1.364 1.00 0.29 C ATOM 1820 CD GLU E 17 -7.619 -22.535 0.712 1.00 0.29 C ATOM 1821 OE1 GLU E 17 -8.694 -22.834 0.215 1.00 0.29 O ATOM 1822 OE2 GLU E 17 -6.643 -23.269 0.723 1.00 0.29 O ATOM 0 H GLU E 17 -7.321 -19.490 4.131 1.00 0.29 H new ATOM 0 HA GLU E 17 -8.873 -19.125 1.787 1.00 0.29 H new ATOM 0 HB2 GLU E 17 -7.881 -21.393 3.474 1.00 0.29 H new ATOM 0 HB3 GLU E 17 -9.252 -21.770 2.450 1.00 0.29 H new ATOM 0 HG2 GLU E 17 -7.748 -20.377 0.647 1.00 0.29 H new ATOM 0 HG3 GLU E 17 -6.458 -20.981 1.668 1.00 0.29 H new ATOM 1829 N ASN E 18 -10.614 -19.874 4.477 1.00 0.41 N ATOM 1830 CA ASN E 18 -12.017 -19.938 4.985 1.00 0.41 C ATOM 1831 C ASN E 18 -12.796 -18.703 4.533 1.00 0.41 C ATOM 1832 O ASN E 18 -13.995 -18.750 4.344 1.00 0.41 O ATOM 1833 CB ASN E 18 -12.004 -19.996 6.512 1.00 0.41 C ATOM 1834 CG ASN E 18 -11.015 -21.069 6.966 1.00 0.41 C ATOM 1835 OD1 ASN E 18 -10.917 -22.118 6.360 1.00 0.41 O ATOM 1836 ND2 ASN E 18 -10.269 -20.849 8.014 1.00 0.41 N ATOM 0 H ASN E 18 -9.890 -19.979 5.187 1.00 0.41 H new ATOM 0 HA ASN E 18 -12.498 -20.831 4.586 1.00 0.41 H new ATOM 0 HB2 ASN E 18 -11.721 -19.027 6.922 1.00 0.41 H new ATOM 0 HB3 ASN E 18 -13.002 -20.222 6.888 1.00 0.41 H new ATOM 0 HD21 ASN E 18 -9.604 -21.557 8.324 1.00 0.41 H new ATOM 0 HD22 ASN E 18 -10.351 -19.969 8.523 1.00 0.41 H new ATOM 1843 N TYR E 19 -12.132 -17.597 4.362 1.00 0.10 N ATOM 1844 CA TYR E 19 -12.847 -16.367 3.925 1.00 0.10 C ATOM 1845 C TYR E 19 -12.857 -16.262 2.392 1.00 0.10 C ATOM 1846 O TYR E 19 -13.560 -15.443 1.831 1.00 0.10 O ATOM 1847 CB TYR E 19 -12.151 -15.144 4.520 1.00 0.10 C ATOM 1848 CG TYR E 19 -12.022 -15.332 6.012 1.00 0.10 C ATOM 1849 CD1 TYR E 19 -13.114 -14.942 6.889 1.00 0.10 C ATOM 1850 CD2 TYR E 19 -10.810 -15.907 6.571 1.00 0.10 C ATOM 1851 CE1 TYR E 19 -12.993 -15.128 8.327 1.00 0.10 C ATOM 1852 CE2 TYR E 19 -10.688 -16.093 8.007 1.00 0.10 C ATOM 1853 CZ TYR E 19 -11.779 -15.703 8.887 1.00 0.10 C ATOM 1854 OH TYR E 19 -11.664 -15.879 10.251 1.00 0.10 O ATOM 0 H TYR E 19 -11.128 -17.490 4.505 1.00 0.10 H new ATOM 0 HA TYR E 19 -13.879 -16.414 4.274 1.00 0.10 H new ATOM 0 HB2 TYR E 19 -11.167 -15.014 4.070 1.00 0.10 H new ATOM 0 HB3 TYR E 19 -12.722 -14.242 4.302 1.00 0.10 H new ATOM 0 HD1 TYR E 19 -14.014 -14.514 6.473 1.00 0.10 H new ATOM 0 HD2 TYR E 19 -9.999 -16.196 5.919 1.00 0.10 H new ATOM 0 HE1 TYR E 19 -13.804 -14.839 8.979 1.00 0.10 H new ATOM 0 HE2 TYR E 19 -9.787 -16.521 8.421 1.00 0.10 H new ATOM 0 HH TYR E 19 -11.118 -15.158 10.629 1.00 0.10 H new ATOM 1864 N CYS E 20 -12.099 -17.078 1.704 1.00 0.06 N ATOM 1865 CA CYS E 20 -12.094 -17.006 0.218 1.00 0.06 C ATOM 1866 C CYS E 20 -13.515 -17.215 -0.306 1.00 0.06 C ATOM 1867 O CYS E 20 -14.385 -17.693 0.392 1.00 0.06 O ATOM 1868 CB CYS E 20 -11.183 -18.099 -0.338 1.00 0.06 C ATOM 1869 SG CYS E 20 -10.598 -17.614 -1.978 1.00 0.06 S ATOM 0 H CYS E 20 -11.487 -17.787 2.108 1.00 0.06 H new ATOM 0 HA CYS E 20 -11.729 -16.029 -0.099 1.00 0.06 H new ATOM 0 HB2 CYS E 20 -10.337 -18.257 0.330 1.00 0.06 H new ATOM 0 HB3 CYS E 20 -11.724 -19.044 -0.397 1.00 0.06 H new ATOM 1874 N ASN E 21 -13.757 -16.857 -1.531 1.00 0.40 N ATOM 1875 CA ASN E 21 -15.120 -17.028 -2.102 1.00 0.40 C ATOM 1876 C ASN E 21 -15.159 -18.291 -2.963 1.00 0.40 C ATOM 1877 O ASN E 21 -16.211 -18.904 -3.031 1.00 0.40 O ATOM 1878 CB ASN E 21 -15.461 -15.814 -2.965 1.00 0.40 C ATOM 1879 CG ASN E 21 -16.876 -15.969 -3.520 1.00 0.40 C ATOM 1880 OD1 ASN E 21 -17.115 -16.789 -4.384 1.00 0.40 O ATOM 1881 ND2 ASN E 21 -17.832 -15.211 -3.055 1.00 0.40 N ATOM 1882 OXT ASN E 21 -14.135 -18.622 -3.541 1.00 0.40 O ATOM 0 H ASN E 21 -13.069 -16.452 -2.165 1.00 0.40 H new ATOM 0 HA ASN E 21 -15.845 -17.119 -1.293 1.00 0.40 H new ATOM 0 HB2 ASN E 21 -15.388 -14.901 -2.374 1.00 0.40 H new ATOM 0 HB3 ASN E 21 -14.746 -15.722 -3.782 1.00 0.40 H new ATOM 0 HD21 ASN E 21 -18.781 -15.307 -3.417 1.00 0.40 H new ATOM 0 HD22 ASN E 21 -17.630 -14.523 -2.330 1.00 0.40 H new TER 1889 ASN E 21 ATOM 1890 N PHE F 1 -7.643 1.752 17.771 1.00 0.55 N ATOM 1891 CA PHE F 1 -8.907 1.696 16.982 1.00 0.55 C ATOM 1892 C PHE F 1 -8.603 1.963 15.506 1.00 0.55 C ATOM 1893 O PHE F 1 -9.310 1.516 14.622 1.00 0.55 O ATOM 1894 CB PHE F 1 -9.876 2.761 17.497 1.00 0.55 C ATOM 1895 CG PHE F 1 -11.169 2.668 16.726 1.00 0.55 C ATOM 1896 CD1 PHE F 1 -11.292 3.319 15.430 1.00 0.55 C ATOM 1897 CD2 PHE F 1 -12.290 1.924 17.276 1.00 0.55 C ATOM 1898 CE1 PHE F 1 -12.538 3.226 14.686 1.00 0.55 C ATOM 1899 CE2 PHE F 1 -13.536 1.831 16.532 1.00 0.55 C ATOM 1900 CZ PHE F 1 -13.660 2.482 15.236 1.00 0.55 C ATOM 0 H1 PHE F 1 -7.808 1.359 18.720 1.00 0.55 H new ATOM 0 H2 PHE F 1 -6.908 1.196 17.289 1.00 0.55 H new ATOM 0 H3 PHE F 1 -7.330 2.740 17.855 1.00 0.55 H new ATOM 0 HA PHE F 1 -9.356 0.708 17.089 1.00 0.55 H new ATOM 0 HB2 PHE F 1 -10.062 2.617 18.561 1.00 0.55 H new ATOM 0 HB3 PHE F 1 -9.440 3.753 17.381 1.00 0.55 H new ATOM 0 HD1 PHE F 1 -10.458 3.871 15.021 1.00 0.55 H new ATOM 0 HD2 PHE F 1 -12.198 1.440 18.237 1.00 0.55 H new ATOM 0 HE1 PHE F 1 -12.630 3.710 13.725 1.00 0.55 H new ATOM 0 HE2 PHE F 1 -14.369 1.279 16.941 1.00 0.55 H new ATOM 0 HZ PHE F 1 -14.585 2.413 14.683 1.00 0.55 H new ATOM 1912 N VAL F 2 -7.557 2.691 15.234 1.00 0.05 N ATOM 1913 CA VAL F 2 -7.206 2.987 13.821 1.00 0.05 C ATOM 1914 C VAL F 2 -6.523 1.770 13.198 1.00 0.05 C ATOM 1915 O VAL F 2 -6.581 1.551 12.003 1.00 0.05 O ATOM 1916 CB VAL F 2 -6.248 4.179 13.780 1.00 0.05 C ATOM 1917 CG1 VAL F 2 -6.926 5.400 14.403 1.00 0.05 C ATOM 1918 CG2 VAL F 2 -4.983 3.841 14.572 1.00 0.05 C ATOM 0 H VAL F 2 -6.930 3.094 15.931 1.00 0.05 H new ATOM 0 HA VAL F 2 -8.112 3.221 13.262 1.00 0.05 H new ATOM 0 HB VAL F 2 -5.984 4.398 12.745 1.00 0.05 H new ATOM 0 HG11 VAL F 2 -6.244 6.249 14.374 1.00 0.05 H new ATOM 0 HG12 VAL F 2 -7.829 5.641 13.842 1.00 0.05 H new ATOM 0 HG13 VAL F 2 -7.189 5.181 15.438 1.00 0.05 H new ATOM 0 HG21 VAL F 2 -4.299 4.689 14.544 1.00 0.05 H new ATOM 0 HG22 VAL F 2 -5.249 3.623 15.606 1.00 0.05 H new ATOM 0 HG23 VAL F 2 -4.499 2.970 14.130 1.00 0.05 H new ATOM 1928 N ASN F 3 -5.863 0.981 13.996 1.00 0.23 N ATOM 1929 CA ASN F 3 -5.159 -0.217 13.456 1.00 0.23 C ATOM 1930 C ASN F 3 -6.108 -1.062 12.599 1.00 0.23 C ATOM 1931 O ASN F 3 -5.747 -1.537 11.545 1.00 0.23 O ATOM 1932 CB ASN F 3 -4.651 -1.062 14.623 1.00 0.23 C ATOM 1933 CG ASN F 3 -3.175 -1.385 14.408 1.00 0.23 C ATOM 1934 OD1 ASN F 3 -2.695 -1.374 13.291 1.00 0.23 O ATOM 1935 ND2 ASN F 3 -2.427 -1.674 15.438 1.00 0.23 N ATOM 0 H ASN F 3 -5.779 1.113 15.004 1.00 0.23 H new ATOM 0 HA ASN F 3 -4.327 0.113 12.834 1.00 0.23 H new ATOM 0 HB2 ASN F 3 -4.784 -0.524 15.561 1.00 0.23 H new ATOM 0 HB3 ASN F 3 -5.229 -1.983 14.699 1.00 0.23 H new ATOM 0 HD21 ASN F 3 -1.439 -1.891 15.306 1.00 0.23 H new ATOM 0 HD22 ASN F 3 -2.830 -1.683 16.375 1.00 0.23 H new ATOM 1942 N GLN F 4 -7.308 -1.268 13.050 1.00 0.24 N ATOM 1943 CA GLN F 4 -8.266 -2.100 12.267 1.00 0.24 C ATOM 1944 C GLN F 4 -8.462 -1.516 10.867 1.00 0.24 C ATOM 1945 O GLN F 4 -8.227 -2.169 9.871 1.00 0.24 O ATOM 1946 CB GLN F 4 -9.611 -2.128 12.991 1.00 0.24 C ATOM 1947 CG GLN F 4 -10.439 -3.306 12.481 1.00 0.24 C ATOM 1948 CD GLN F 4 -11.799 -3.313 13.179 1.00 0.24 C ATOM 1949 OE1 GLN F 4 -11.945 -3.889 14.238 1.00 0.24 O ATOM 1950 NE2 GLN F 4 -12.806 -2.690 12.628 1.00 0.24 N ATOM 0 H GLN F 4 -7.672 -0.897 13.928 1.00 0.24 H new ATOM 0 HA GLN F 4 -7.865 -3.109 12.175 1.00 0.24 H new ATOM 0 HB2 GLN F 4 -9.456 -2.217 14.066 1.00 0.24 H new ATOM 0 HB3 GLN F 4 -10.146 -1.193 12.823 1.00 0.24 H new ATOM 0 HG2 GLN F 4 -10.573 -3.230 11.402 1.00 0.24 H new ATOM 0 HG3 GLN F 4 -9.915 -4.242 12.672 1.00 0.24 H new ATOM 0 HE21 GLN F 4 -12.682 -2.207 11.738 1.00 0.24 H new ATOM 0 HE22 GLN F 4 -13.717 -2.687 13.087 1.00 0.24 H new ATOM 1959 N HIS F 5 -8.912 -0.298 10.787 1.00 0.06 N ATOM 1960 CA HIS F 5 -9.154 0.336 9.459 1.00 0.06 C ATOM 1961 C HIS F 5 -7.850 0.469 8.667 1.00 0.06 C ATOM 1962 O HIS F 5 -7.868 0.752 7.488 1.00 0.06 O ATOM 1963 CB HIS F 5 -9.754 1.722 9.678 1.00 0.06 C ATOM 1964 CG HIS F 5 -10.359 2.216 8.396 1.00 0.06 C ATOM 1965 ND1 HIS F 5 -11.730 2.314 8.218 1.00 0.06 N ATOM 1966 CD2 HIS F 5 -9.795 2.652 7.223 1.00 0.06 C ATOM 1967 CE1 HIS F 5 -11.945 2.793 6.978 1.00 0.06 C ATOM 1968 NE2 HIS F 5 -10.798 3.016 6.328 1.00 0.06 N ATOM 0 H HIS F 5 -9.125 0.293 11.591 1.00 0.06 H new ATOM 0 HA HIS F 5 -9.838 -0.292 8.889 1.00 0.06 H new ATOM 0 HB2 HIS F 5 -10.514 1.682 10.459 1.00 0.06 H new ATOM 0 HB3 HIS F 5 -8.983 2.414 10.019 1.00 0.06 H new ATOM 0 HD1 HIS F 5 -12.446 2.068 8.902 1.00 0.06 H new ATOM 0 HD2 HIS F 5 -8.735 2.705 7.024 1.00 0.06 H new ATOM 0 HE1 HIS F 5 -12.924 2.975 6.560 1.00 0.06 H new ATOM 1976 N LEU F 6 -6.720 0.282 9.293 1.00 0.04 N ATOM 1977 CA LEU F 6 -5.435 0.418 8.553 1.00 0.04 C ATOM 1978 C LEU F 6 -4.867 -0.963 8.225 1.00 0.04 C ATOM 1979 O LEU F 6 -4.572 -1.261 7.085 1.00 0.04 O ATOM 1980 CB LEU F 6 -4.441 1.198 9.411 1.00 0.04 C ATOM 1981 CG LEU F 6 -5.043 2.561 9.760 1.00 0.04 C ATOM 1982 CD1 LEU F 6 -4.263 3.186 10.917 1.00 0.04 C ATOM 1983 CD2 LEU F 6 -4.965 3.478 8.537 1.00 0.04 C ATOM 0 H LEU F 6 -6.632 0.042 10.280 1.00 0.04 H new ATOM 0 HA LEU F 6 -5.611 0.953 7.620 1.00 0.04 H new ATOM 0 HB2 LEU F 6 -4.213 0.643 10.321 1.00 0.04 H new ATOM 0 HB3 LEU F 6 -3.502 1.328 8.874 1.00 0.04 H new ATOM 0 HG LEU F 6 -6.084 2.433 10.055 1.00 0.04 H new ATOM 0 HD11 LEU F 6 -4.693 4.157 11.164 1.00 0.04 H new ATOM 0 HD12 LEU F 6 -4.318 2.533 11.788 1.00 0.04 H new ATOM 0 HD13 LEU F 6 -3.221 3.315 10.625 1.00 0.04 H new ATOM 0 HD21 LEU F 6 -5.393 4.450 8.783 1.00 0.04 H new ATOM 0 HD22 LEU F 6 -3.923 3.605 8.243 1.00 0.04 H new ATOM 0 HD23 LEU F 6 -5.523 3.034 7.713 1.00 0.04 H new ATOM 1995 N CYS F 7 -4.700 -1.811 9.207 1.00 0.02 N ATOM 1996 CA CYS F 7 -4.143 -3.163 8.922 1.00 0.02 C ATOM 1997 C CYS F 7 -5.107 -3.925 8.007 1.00 0.02 C ATOM 1998 O CYS F 7 -4.696 -4.692 7.162 1.00 0.02 O ATOM 1999 CB CYS F 7 -3.898 -3.935 10.236 1.00 0.02 C ATOM 2000 SG CYS F 7 -5.456 -4.391 11.053 1.00 0.02 S ATOM 0 H CYS F 7 -4.924 -1.626 10.185 1.00 0.02 H new ATOM 0 HA CYS F 7 -3.183 -3.061 8.416 1.00 0.02 H new ATOM 0 HB2 CYS F 7 -3.321 -4.835 10.026 1.00 0.02 H new ATOM 0 HB3 CYS F 7 -3.300 -3.323 10.911 1.00 0.02 H new ATOM 2005 N GLY F 8 -6.385 -3.712 8.164 1.00 0.00 N ATOM 2006 CA GLY F 8 -7.372 -4.420 7.298 1.00 0.00 C ATOM 2007 C GLY F 8 -7.037 -4.172 5.827 1.00 0.00 C ATOM 2008 O GLY F 8 -7.345 -4.968 4.964 1.00 0.00 O ATOM 0 H GLY F 8 -6.789 -3.079 8.854 1.00 0.00 H new ATOM 0 HA2 GLY F 8 -7.355 -5.489 7.510 1.00 0.00 H new ATOM 0 HA3 GLY F 8 -8.380 -4.068 7.516 1.00 0.00 H new ATOM 2012 N SER F 9 -6.403 -3.071 5.539 1.00 0.00 N ATOM 2013 CA SER F 9 -6.041 -2.761 4.127 1.00 0.00 C ATOM 2014 C SER F 9 -5.005 -3.769 3.626 1.00 0.00 C ATOM 2015 O SER F 9 -4.939 -4.073 2.452 1.00 0.00 O ATOM 2016 CB SER F 9 -5.448 -1.353 4.060 1.00 0.00 C ATOM 2017 OG SER F 9 -6.132 -0.605 3.063 1.00 0.00 O ATOM 0 H SER F 9 -6.118 -2.369 6.222 1.00 0.00 H new ATOM 0 HA SER F 9 -6.932 -2.819 3.502 1.00 0.00 H new ATOM 0 HB2 SER F 9 -5.540 -0.860 5.028 1.00 0.00 H new ATOM 0 HB3 SER F 9 -4.384 -1.404 3.828 1.00 0.00 H new ATOM 0 HG SER F 9 -7.008 -0.328 3.405 1.00 0.00 H new ATOM 2023 N HIS F 10 -4.192 -4.284 4.507 1.00 0.03 N ATOM 2024 CA HIS F 10 -3.157 -5.264 4.078 1.00 0.03 C ATOM 2025 C HIS F 10 -3.730 -6.679 4.130 1.00 0.03 C ATOM 2026 O HIS F 10 -3.304 -7.557 3.408 1.00 0.03 O ATOM 2027 CB HIS F 10 -1.952 -5.169 5.017 1.00 0.03 C ATOM 2028 CG HIS F 10 -1.250 -3.857 4.798 1.00 0.03 C ATOM 2029 ND1 HIS F 10 -1.537 -3.032 3.719 1.00 0.03 N ATOM 2030 CD2 HIS F 10 -0.266 -3.215 5.512 1.00 0.03 C ATOM 2031 CE1 HIS F 10 -0.740 -1.951 3.812 1.00 0.03 C ATOM 2032 NE2 HIS F 10 0.055 -2.012 4.887 1.00 0.03 N ATOM 0 H HIS F 10 -4.200 -4.068 5.504 1.00 0.03 H new ATOM 0 HA HIS F 10 -2.848 -5.039 3.057 1.00 0.03 H new ATOM 0 HB2 HIS F 10 -2.278 -5.251 6.054 1.00 0.03 H new ATOM 0 HB3 HIS F 10 -1.267 -5.996 4.832 1.00 0.03 H new ATOM 0 HD1 HIS F 10 -2.226 -3.212 2.989 1.00 0.03 H new ATOM 0 HD2 HIS F 10 0.189 -3.586 6.419 1.00 0.03 H new ATOM 0 HE1 HIS F 10 -0.742 -1.134 3.105 1.00 0.03 H new ATOM 2040 N LEU F 11 -4.699 -6.907 4.974 1.00 0.00 N ATOM 2041 CA LEU F 11 -5.299 -8.267 5.064 1.00 0.00 C ATOM 2042 C LEU F 11 -5.900 -8.618 3.708 1.00 0.00 C ATOM 2043 O LEU F 11 -5.775 -9.721 3.220 1.00 0.00 O ATOM 2044 CB LEU F 11 -6.411 -8.289 6.124 1.00 0.00 C ATOM 2045 CG LEU F 11 -5.933 -7.658 7.439 1.00 0.00 C ATOM 2046 CD1 LEU F 11 -7.019 -7.836 8.498 1.00 0.00 C ATOM 2047 CD2 LEU F 11 -4.649 -8.340 7.913 1.00 0.00 C ATOM 0 H LEU F 11 -5.100 -6.212 5.603 1.00 0.00 H new ATOM 0 HA LEU F 11 -4.530 -8.986 5.344 1.00 0.00 H new ATOM 0 HB2 LEU F 11 -7.282 -7.749 5.753 1.00 0.00 H new ATOM 0 HB3 LEU F 11 -6.726 -9.317 6.304 1.00 0.00 H new ATOM 0 HG LEU F 11 -5.734 -6.598 7.279 1.00 0.00 H new ATOM 0 HD11 LEU F 11 -6.689 -7.391 9.436 1.00 0.00 H new ATOM 0 HD12 LEU F 11 -7.934 -7.346 8.166 1.00 0.00 H new ATOM 0 HD13 LEU F 11 -7.210 -8.899 8.648 1.00 0.00 H new ATOM 0 HD21 LEU F 11 -4.319 -7.885 8.847 1.00 0.00 H new ATOM 0 HD22 LEU F 11 -4.839 -9.401 8.074 1.00 0.00 H new ATOM 0 HD23 LEU F 11 -3.873 -8.221 7.157 1.00 0.00 H new ATOM 2059 N VAL F 12 -6.559 -7.673 3.104 1.00 0.01 N ATOM 2060 CA VAL F 12 -7.190 -7.918 1.775 1.00 0.01 C ATOM 2061 C VAL F 12 -6.109 -8.211 0.734 1.00 0.01 C ATOM 2062 O VAL F 12 -6.292 -9.020 -0.152 1.00 0.01 O ATOM 2063 CB VAL F 12 -7.996 -6.686 1.349 1.00 0.01 C ATOM 2064 CG1 VAL F 12 -9.221 -6.544 2.253 1.00 0.01 C ATOM 2065 CG2 VAL F 12 -7.130 -5.426 1.466 1.00 0.01 C ATOM 0 H VAL F 12 -6.690 -6.732 3.475 1.00 0.01 H new ATOM 0 HA VAL F 12 -7.858 -8.776 1.850 1.00 0.01 H new ATOM 0 HB VAL F 12 -8.313 -6.807 0.313 1.00 0.01 H new ATOM 0 HG11 VAL F 12 -9.796 -5.668 1.952 1.00 0.01 H new ATOM 0 HG12 VAL F 12 -9.843 -7.434 2.165 1.00 0.01 H new ATOM 0 HG13 VAL F 12 -8.898 -6.428 3.288 1.00 0.01 H new ATOM 0 HG21 VAL F 12 -7.711 -4.556 1.161 1.00 0.01 H new ATOM 0 HG22 VAL F 12 -6.806 -5.302 2.499 1.00 0.01 H new ATOM 0 HG23 VAL F 12 -6.257 -5.523 0.821 1.00 0.01 H new ATOM 2075 N GLU F 13 -4.980 -7.570 0.835 1.00 0.05 N ATOM 2076 CA GLU F 13 -3.894 -7.829 -0.150 1.00 0.05 C ATOM 2077 C GLU F 13 -3.534 -9.314 -0.109 1.00 0.05 C ATOM 2078 O GLU F 13 -3.353 -9.952 -1.124 1.00 0.05 O ATOM 2079 CB GLU F 13 -2.665 -6.997 0.213 1.00 0.05 C ATOM 2080 CG GLU F 13 -2.965 -5.516 -0.022 1.00 0.05 C ATOM 2081 CD GLU F 13 -1.883 -4.912 -0.919 1.00 0.05 C ATOM 2082 OE1 GLU F 13 -1.401 -5.617 -1.794 1.00 0.05 O ATOM 2083 OE2 GLU F 13 -1.553 -3.753 -0.718 1.00 0.05 O ATOM 0 H GLU F 13 -4.762 -6.880 1.554 1.00 0.05 H new ATOM 0 HA GLU F 13 -4.229 -7.556 -1.150 1.00 0.05 H new ATOM 0 HB2 GLU F 13 -2.395 -7.163 1.256 1.00 0.05 H new ATOM 0 HB3 GLU F 13 -1.812 -7.307 -0.391 1.00 0.05 H new ATOM 0 HG2 GLU F 13 -3.944 -5.402 -0.488 1.00 0.05 H new ATOM 0 HG3 GLU F 13 -3.001 -4.986 0.930 1.00 0.05 H new ATOM 2090 N ALA F 14 -3.436 -9.870 1.063 1.00 0.01 N ATOM 2091 CA ALA F 14 -3.098 -11.314 1.175 1.00 0.01 C ATOM 2092 C ALA F 14 -4.315 -12.151 0.792 1.00 0.01 C ATOM 2093 O ALA F 14 -4.197 -13.194 0.184 1.00 0.01 O ATOM 2094 CB ALA F 14 -2.709 -11.630 2.615 1.00 0.01 C ATOM 0 H ALA F 14 -3.575 -9.387 1.950 1.00 0.01 H new ATOM 0 HA ALA F 14 -2.268 -11.546 0.508 1.00 0.01 H new ATOM 0 HB1 ALA F 14 -2.461 -12.688 2.701 1.00 0.01 H new ATOM 0 HB2 ALA F 14 -1.844 -11.030 2.898 1.00 0.01 H new ATOM 0 HB3 ALA F 14 -3.544 -11.398 3.277 1.00 0.01 H new ATOM 2100 N LEU F 15 -5.483 -11.705 1.157 1.00 0.00 N ATOM 2101 CA LEU F 15 -6.712 -12.476 0.835 1.00 0.00 C ATOM 2102 C LEU F 15 -6.812 -12.714 -0.671 1.00 0.00 C ATOM 2103 O LEU F 15 -6.758 -13.839 -1.125 1.00 0.00 O ATOM 2104 CB LEU F 15 -7.942 -11.702 1.303 1.00 0.00 C ATOM 2105 CG LEU F 15 -8.137 -11.898 2.806 1.00 0.00 C ATOM 2106 CD1 LEU F 15 -9.335 -11.076 3.276 1.00 0.00 C ATOM 2107 CD2 LEU F 15 -8.392 -13.373 3.097 1.00 0.00 C ATOM 0 H LEU F 15 -5.639 -10.835 1.667 1.00 0.00 H new ATOM 0 HA LEU F 15 -6.663 -13.438 1.346 1.00 0.00 H new ATOM 0 HB2 LEU F 15 -7.823 -10.642 1.078 1.00 0.00 H new ATOM 0 HB3 LEU F 15 -8.825 -12.045 0.765 1.00 0.00 H new ATOM 0 HG LEU F 15 -7.241 -11.571 3.333 1.00 0.00 H new ATOM 0 HD11 LEU F 15 -9.474 -11.216 4.348 1.00 0.00 H new ATOM 0 HD12 LEU F 15 -9.157 -10.021 3.068 1.00 0.00 H new ATOM 0 HD13 LEU F 15 -10.231 -11.404 2.748 1.00 0.00 H new ATOM 0 HD21 LEU F 15 -8.531 -13.514 4.169 1.00 0.00 H new ATOM 0 HD22 LEU F 15 -9.288 -13.698 2.569 1.00 0.00 H new ATOM 0 HD23 LEU F 15 -7.539 -13.963 2.761 1.00 0.00 H new ATOM 2119 N TYR F 16 -6.986 -11.677 -1.455 1.00 0.02 N ATOM 2120 CA TYR F 16 -7.119 -11.893 -2.926 1.00 0.02 C ATOM 2121 C TYR F 16 -5.808 -12.436 -3.516 1.00 0.02 C ATOM 2122 O TYR F 16 -5.783 -12.907 -4.638 1.00 0.02 O ATOM 2123 CB TYR F 16 -7.608 -10.605 -3.628 1.00 0.02 C ATOM 2124 CG TYR F 16 -6.499 -9.628 -3.939 1.00 0.02 C ATOM 2125 CD1 TYR F 16 -5.323 -9.541 -3.088 1.00 0.02 C ATOM 2126 CD2 TYR F 16 -6.629 -8.757 -5.095 1.00 0.02 C ATOM 2127 CE1 TYR F 16 -4.274 -8.578 -3.398 1.00 0.02 C ATOM 2128 CE2 TYR F 16 -5.582 -7.800 -5.405 1.00 0.02 C ATOM 2129 CZ TYR F 16 -4.405 -7.708 -4.558 1.00 0.02 C ATOM 2130 OH TYR F 16 -3.411 -6.795 -4.855 1.00 0.02 O ATOM 0 H TYR F 16 -7.041 -10.707 -1.145 1.00 0.02 H new ATOM 0 HA TYR F 16 -7.880 -12.652 -3.105 1.00 0.02 H new ATOM 0 HB2 TYR F 16 -8.113 -10.876 -4.555 1.00 0.02 H new ATOM 0 HB3 TYR F 16 -8.347 -10.114 -2.994 1.00 0.02 H new ATOM 0 HD1 TYR F 16 -5.227 -10.188 -2.229 1.00 0.02 H new ATOM 0 HD2 TYR F 16 -7.505 -8.822 -5.724 1.00 0.02 H new ATOM 0 HE1 TYR F 16 -3.400 -8.510 -2.768 1.00 0.02 H new ATOM 0 HE2 TYR F 16 -5.678 -7.156 -6.266 1.00 0.02 H new ATOM 0 HH TYR F 16 -3.027 -7.003 -5.732 1.00 0.02 H new ATOM 2140 N LEU F 17 -4.736 -12.431 -2.764 1.00 0.10 N ATOM 2141 CA LEU F 17 -3.473 -13.011 -3.289 1.00 0.10 C ATOM 2142 C LEU F 17 -3.569 -14.523 -3.098 1.00 0.10 C ATOM 2143 O LEU F 17 -3.281 -15.299 -3.987 1.00 0.10 O ATOM 2144 CB LEU F 17 -2.280 -12.463 -2.510 1.00 0.10 C ATOM 2145 CG LEU F 17 -0.990 -12.998 -3.123 1.00 0.10 C ATOM 2146 CD1 LEU F 17 -0.437 -11.980 -4.121 1.00 0.10 C ATOM 2147 CD2 LEU F 17 0.039 -13.236 -2.017 1.00 0.10 C ATOM 0 H LEU F 17 -4.685 -12.053 -1.818 1.00 0.10 H new ATOM 0 HA LEU F 17 -3.333 -12.755 -4.339 1.00 0.10 H new ATOM 0 HB2 LEU F 17 -2.284 -11.373 -2.535 1.00 0.10 H new ATOM 0 HB3 LEU F 17 -2.348 -12.758 -1.463 1.00 0.10 H new ATOM 0 HG LEU F 17 -1.196 -13.936 -3.638 1.00 0.10 H new ATOM 0 HD11 LEU F 17 0.485 -12.363 -4.559 1.00 0.10 H new ATOM 0 HD12 LEU F 17 -1.169 -11.809 -4.910 1.00 0.10 H new ATOM 0 HD13 LEU F 17 -0.232 -11.041 -3.607 1.00 0.10 H new ATOM 0 HD21 LEU F 17 0.961 -13.618 -2.454 1.00 0.10 H new ATOM 0 HD22 LEU F 17 0.243 -12.297 -1.502 1.00 0.10 H new ATOM 0 HD23 LEU F 17 -0.353 -13.962 -1.305 1.00 0.10 H new ATOM 2159 N VAL F 18 -4.016 -14.939 -1.942 1.00 0.13 N ATOM 2160 CA VAL F 18 -4.180 -16.393 -1.677 1.00 0.13 C ATOM 2161 C VAL F 18 -5.320 -16.913 -2.547 1.00 0.13 C ATOM 2162 O VAL F 18 -5.242 -17.974 -3.132 1.00 0.13 O ATOM 2163 CB VAL F 18 -4.536 -16.602 -0.202 1.00 0.13 C ATOM 2164 CG1 VAL F 18 -4.754 -18.091 0.069 1.00 0.13 C ATOM 2165 CG2 VAL F 18 -3.393 -16.088 0.675 1.00 0.13 C ATOM 0 H VAL F 18 -4.275 -14.328 -1.168 1.00 0.13 H new ATOM 0 HA VAL F 18 -3.256 -16.925 -1.905 1.00 0.13 H new ATOM 0 HB VAL F 18 -5.450 -16.055 0.030 1.00 0.13 H new ATOM 0 HG11 VAL F 18 -5.007 -18.236 1.119 1.00 0.13 H new ATOM 0 HG12 VAL F 18 -5.569 -18.459 -0.555 1.00 0.13 H new ATOM 0 HG13 VAL F 18 -3.842 -18.641 -0.164 1.00 0.13 H new ATOM 0 HG21 VAL F 18 -3.645 -16.236 1.725 1.00 0.13 H new ATOM 0 HG22 VAL F 18 -2.480 -16.635 0.440 1.00 0.13 H new ATOM 0 HG23 VAL F 18 -3.238 -15.026 0.485 1.00 0.13 H new ATOM 2175 N CYS F 19 -6.379 -16.164 -2.635 1.00 0.05 N ATOM 2176 CA CYS F 19 -7.532 -16.594 -3.467 1.00 0.05 C ATOM 2177 C CYS F 19 -7.131 -16.553 -4.939 1.00 0.05 C ATOM 2178 O CYS F 19 -7.682 -17.256 -5.762 1.00 0.05 O ATOM 2179 CB CYS F 19 -8.699 -15.637 -3.236 1.00 0.05 C ATOM 2180 SG CYS F 19 -9.457 -15.987 -1.631 1.00 0.05 S ATOM 0 H CYS F 19 -6.496 -15.267 -2.164 1.00 0.05 H new ATOM 0 HA CYS F 19 -7.827 -17.607 -3.195 1.00 0.05 H new ATOM 0 HB2 CYS F 19 -8.349 -14.605 -3.268 1.00 0.05 H new ATOM 0 HB3 CYS F 19 -9.437 -15.748 -4.031 1.00 0.05 H new ATOM 2185 N GLY F 20 -6.176 -15.732 -5.276 1.00 0.15 N ATOM 2186 CA GLY F 20 -5.742 -15.644 -6.696 1.00 0.15 C ATOM 2187 C GLY F 20 -6.846 -14.992 -7.525 1.00 0.15 C ATOM 2188 O GLY F 20 -7.004 -13.788 -7.531 1.00 0.15 O ATOM 0 H GLY F 20 -5.678 -15.119 -4.630 1.00 0.15 H new ATOM 0 HA2 GLY F 20 -4.824 -15.062 -6.772 1.00 0.15 H new ATOM 0 HA3 GLY F 20 -5.521 -16.639 -7.083 1.00 0.15 H new ATOM 2192 N GLU F 21 -7.610 -15.773 -8.228 1.00 0.43 N ATOM 2193 CA GLU F 21 -8.698 -15.192 -9.056 1.00 0.43 C ATOM 2194 C GLU F 21 -10.014 -15.256 -8.286 1.00 0.43 C ATOM 2195 O GLU F 21 -10.924 -14.490 -8.528 1.00 0.43 O ATOM 2196 CB GLU F 21 -8.828 -15.989 -10.352 1.00 0.43 C ATOM 2197 CG GLU F 21 -7.525 -15.877 -11.148 1.00 0.43 C ATOM 2198 CD GLU F 21 -7.409 -17.064 -12.108 1.00 0.43 C ATOM 2199 OE1 GLU F 21 -8.112 -17.063 -13.108 1.00 0.43 O ATOM 2200 OE2 GLU F 21 -6.621 -17.956 -11.826 1.00 0.43 O ATOM 0 H GLU F 21 -7.529 -16.789 -8.266 1.00 0.43 H new ATOM 0 HA GLU F 21 -8.464 -14.153 -9.288 1.00 0.43 H new ATOM 0 HB2 GLU F 21 -9.043 -17.034 -10.130 1.00 0.43 H new ATOM 0 HB3 GLU F 21 -9.662 -15.611 -10.943 1.00 0.43 H new ATOM 0 HG2 GLU F 21 -7.507 -14.941 -11.706 1.00 0.43 H new ATOM 0 HG3 GLU F 21 -6.672 -15.860 -10.469 1.00 0.43 H new ATOM 2207 N ARG F 22 -10.128 -16.166 -7.360 1.00 0.33 N ATOM 2208 CA ARG F 22 -11.391 -16.274 -6.580 1.00 0.33 C ATOM 2209 C ARG F 22 -11.637 -14.956 -5.844 1.00 0.33 C ATOM 2210 O ARG F 22 -10.733 -14.171 -5.636 1.00 0.33 O ATOM 2211 CB ARG F 22 -11.277 -17.417 -5.565 1.00 0.33 C ATOM 2212 CG ARG F 22 -10.674 -18.651 -6.245 1.00 0.33 C ATOM 2213 CD ARG F 22 -11.566 -19.869 -5.989 1.00 0.33 C ATOM 2214 NE ARG F 22 -10.902 -20.764 -5.004 1.00 0.33 N ATOM 2215 CZ ARG F 22 -11.348 -20.827 -3.778 1.00 0.33 C ATOM 2216 NH1 ARG F 22 -12.621 -21.019 -3.555 1.00 0.33 N ATOM 2217 NH2 ARG F 22 -10.521 -20.697 -2.774 1.00 0.33 N ATOM 0 H ARG F 22 -9.403 -16.838 -7.110 1.00 0.33 H new ATOM 0 HA ARG F 22 -12.222 -16.480 -7.255 1.00 0.33 H new ATOM 0 HB2 ARG F 22 -10.653 -17.110 -4.726 1.00 0.33 H new ATOM 0 HB3 ARG F 22 -12.260 -17.657 -5.160 1.00 0.33 H new ATOM 0 HG2 ARG F 22 -10.578 -18.477 -7.317 1.00 0.33 H new ATOM 0 HG3 ARG F 22 -9.671 -18.836 -5.861 1.00 0.33 H new ATOM 0 HD2 ARG F 22 -12.537 -19.550 -5.611 1.00 0.33 H new ATOM 0 HD3 ARG F 22 -11.747 -20.405 -6.921 1.00 0.33 H new ATOM 0 HE ARG F 22 -10.100 -21.328 -5.285 1.00 0.33 H new ATOM 0 HH11 ARG F 22 -13.266 -21.120 -4.338 1.00 0.33 H new ATOM 0 HH12 ARG F 22 -12.969 -21.068 -2.598 1.00 0.33 H new ATOM 0 HH21 ARG F 22 -9.527 -20.546 -2.948 1.00 0.33 H new ATOM 0 HH22 ARG F 22 -10.869 -20.746 -1.817 1.00 0.33 H new ATOM 2231 N GLY F 23 -12.854 -14.703 -5.452 1.00 0.01 N ATOM 2232 CA GLY F 23 -13.153 -13.432 -4.732 1.00 0.01 C ATOM 2233 C GLY F 23 -13.201 -13.693 -3.231 1.00 0.01 C ATOM 2234 O GLY F 23 -12.986 -14.797 -2.779 1.00 0.01 O ATOM 0 H GLY F 23 -13.654 -15.319 -5.598 1.00 0.01 H new ATOM 0 HA2 GLY F 23 -12.390 -12.687 -4.957 1.00 0.01 H new ATOM 0 HA3 GLY F 23 -14.106 -13.026 -5.071 1.00 0.01 H new ATOM 2238 N PHE F 24 -13.485 -12.687 -2.453 1.00 0.01 N ATOM 2239 CA PHE F 24 -13.549 -12.888 -0.983 1.00 0.01 C ATOM 2240 C PHE F 24 -14.441 -11.814 -0.360 1.00 0.01 C ATOM 2241 O PHE F 24 -14.468 -10.685 -0.803 1.00 0.01 O ATOM 2242 CB PHE F 24 -12.133 -12.820 -0.385 1.00 0.01 C ATOM 2243 CG PHE F 24 -11.549 -11.433 -0.546 1.00 0.01 C ATOM 2244 CD1 PHE F 24 -11.050 -10.994 -1.836 1.00 0.01 C ATOM 2245 CD2 PHE F 24 -11.493 -10.540 0.601 1.00 0.01 C ATOM 2246 CE1 PHE F 24 -10.492 -9.658 -1.982 1.00 0.01 C ATOM 2247 CE2 PHE F 24 -10.934 -9.205 0.454 1.00 0.01 C ATOM 2248 CZ PHE F 24 -10.433 -8.764 -0.838 1.00 0.01 C ATOM 0 H PHE F 24 -13.675 -11.737 -2.772 1.00 0.01 H new ATOM 0 HA PHE F 24 -13.972 -13.869 -0.768 1.00 0.01 H new ATOM 0 HB2 PHE F 24 -12.166 -13.085 0.672 1.00 0.01 H new ATOM 0 HB3 PHE F 24 -11.490 -13.550 -0.877 1.00 0.01 H new ATOM 0 HD1 PHE F 24 -11.093 -11.658 -2.687 1.00 0.01 H new ATOM 0 HD2 PHE F 24 -11.866 -10.868 1.560 1.00 0.01 H new ATOM 0 HE1 PHE F 24 -10.121 -9.330 -2.942 1.00 0.01 H new ATOM 0 HE2 PHE F 24 -10.891 -8.541 1.305 1.00 0.01 H new ATOM 0 HZ PHE F 24 -10.018 -7.773 -0.947 1.00 0.01 H new ATOM 2258 N PHE F 25 -15.153 -12.154 0.671 1.00 0.32 N ATOM 2259 CA PHE F 25 -16.028 -11.141 1.325 1.00 0.32 C ATOM 2260 C PHE F 25 -15.297 -10.558 2.533 1.00 0.32 C ATOM 2261 O PHE F 25 -14.934 -11.258 3.452 1.00 0.32 O ATOM 2262 CB PHE F 25 -17.355 -11.772 1.767 1.00 0.32 C ATOM 2263 CG PHE F 25 -17.107 -13.117 2.395 1.00 0.32 C ATOM 2264 CD1 PHE F 25 -16.808 -13.216 3.815 1.00 0.32 C ATOM 2265 CD2 PHE F 25 -17.160 -14.315 1.576 1.00 0.32 C ATOM 2266 CE1 PHE F 25 -16.563 -14.518 4.416 1.00 0.32 C ATOM 2267 CE2 PHE F 25 -16.916 -15.617 2.177 1.00 0.32 C ATOM 2268 CZ PHE F 25 -16.616 -15.720 3.597 1.00 0.32 C ATOM 0 H PHE F 25 -15.170 -13.084 1.090 1.00 0.32 H new ATOM 0 HA PHE F 25 -16.252 -10.349 0.611 1.00 0.32 H new ATOM 0 HB2 PHE F 25 -17.858 -11.117 2.479 1.00 0.32 H new ATOM 0 HB3 PHE F 25 -18.018 -11.880 0.909 1.00 0.32 H new ATOM 0 HD1 PHE F 25 -16.768 -12.324 4.423 1.00 0.32 H new ATOM 0 HD2 PHE F 25 -17.380 -14.239 0.521 1.00 0.32 H new ATOM 0 HE1 PHE F 25 -16.342 -14.593 5.470 1.00 0.32 H new ATOM 0 HE2 PHE F 25 -16.958 -16.508 1.568 1.00 0.32 H new ATOM 0 HZ PHE F 25 -16.433 -16.687 4.043 1.00 0.32 H new ATOM 2278 N TYR F 26 -15.070 -9.275 2.527 1.00 0.00 N ATOM 2279 CA TYR F 26 -14.355 -8.634 3.661 1.00 0.00 C ATOM 2280 C TYR F 26 -15.339 -7.800 4.480 1.00 0.00 C ATOM 2281 O TYR F 26 -15.864 -6.809 4.018 1.00 0.00 O ATOM 2282 CB TYR F 26 -13.260 -7.728 3.107 1.00 0.00 C ATOM 2283 CG TYR F 26 -12.397 -7.217 4.233 1.00 0.00 C ATOM 2284 CD1 TYR F 26 -11.284 -8.018 4.715 1.00 0.00 C ATOM 2285 CD2 TYR F 26 -12.673 -5.921 4.829 1.00 0.00 C ATOM 2286 CE1 TYR F 26 -10.446 -7.521 5.795 1.00 0.00 C ATOM 2287 CE2 TYR F 26 -11.836 -5.424 5.911 1.00 0.00 C ATOM 2288 CZ TYR F 26 -10.722 -6.226 6.393 1.00 0.00 C ATOM 2289 OH TYR F 26 -9.926 -5.755 7.417 1.00 0.00 O ATOM 0 H TYR F 26 -15.351 -8.640 1.780 1.00 0.00 H new ATOM 0 HA TYR F 26 -13.915 -9.400 4.299 1.00 0.00 H new ATOM 0 HB2 TYR F 26 -12.650 -8.277 2.390 1.00 0.00 H new ATOM 0 HB3 TYR F 26 -13.706 -6.891 2.570 1.00 0.00 H new ATOM 0 HD1 TYR F 26 -11.079 -8.981 4.272 1.00 0.00 H new ATOM 0 HD2 TYR F 26 -13.500 -5.326 4.469 1.00 0.00 H new ATOM 0 HE1 TYR F 26 -9.618 -8.115 6.153 1.00 0.00 H new ATOM 0 HE2 TYR F 26 -12.042 -4.461 6.355 1.00 0.00 H new ATOM 0 HH TYR F 26 -10.457 -5.179 8.005 1.00 0.00 H new ATOM 2299 N THR F 27 -15.590 -8.192 5.694 1.00 0.22 N ATOM 2300 CA THR F 27 -16.534 -7.420 6.545 1.00 0.22 C ATOM 2301 C THR F 27 -15.820 -7.033 7.852 1.00 0.22 C ATOM 2302 O THR F 27 -15.696 -7.862 8.729 1.00 0.22 O ATOM 2303 CB THR F 27 -17.750 -8.287 6.865 1.00 0.22 C ATOM 2304 OG1 THR F 27 -18.320 -8.760 5.653 1.00 0.22 O ATOM 2305 CG2 THR F 27 -18.783 -7.457 7.625 1.00 0.22 C ATOM 0 H THR F 27 -15.182 -9.016 6.136 1.00 0.22 H new ATOM 0 HA THR F 27 -16.860 -6.521 6.021 1.00 0.22 H new ATOM 0 HB THR F 27 -17.444 -9.133 7.480 1.00 0.22 H new ATOM 0 HG1 THR F 27 -19.100 -9.318 5.854 1.00 0.22 H new ATOM 0 HG21 THR F 27 -19.651 -8.076 7.853 1.00 0.22 H new ATOM 0 HG22 THR F 27 -18.344 -7.091 8.553 1.00 0.22 H new ATOM 0 HG23 THR F 27 -19.092 -6.611 7.012 1.00 0.22 H new ATOM 2313 N PRO F 28 -15.353 -5.794 7.968 1.00 0.04 N ATOM 2314 CA PRO F 28 -14.647 -5.354 9.182 1.00 0.04 C ATOM 2315 C PRO F 28 -15.639 -5.074 10.316 1.00 0.04 C ATOM 2316 O PRO F 28 -15.269 -5.014 11.472 1.00 0.04 O ATOM 2317 CB PRO F 28 -13.928 -4.075 8.744 1.00 0.04 C ATOM 2318 CG PRO F 28 -14.684 -3.544 7.508 1.00 0.04 C ATOM 2319 CD PRO F 28 -15.484 -4.727 6.939 1.00 0.04 C ATOM 0 HA PRO F 28 -13.960 -6.106 9.570 1.00 0.04 H new ATOM 0 HB2 PRO F 28 -13.929 -3.336 9.546 1.00 0.04 H new ATOM 0 HB3 PRO F 28 -12.885 -4.281 8.501 1.00 0.04 H new ATOM 0 HG2 PRO F 28 -15.348 -2.724 7.783 1.00 0.04 H new ATOM 0 HG3 PRO F 28 -13.987 -3.155 6.766 1.00 0.04 H new ATOM 0 HD2 PRO F 28 -16.528 -4.459 6.776 1.00 0.04 H new ATOM 0 HD3 PRO F 28 -15.084 -5.051 5.978 1.00 0.04 H new ATOM 2327 N LYS F 29 -16.896 -4.913 10.004 1.00 0.41 N ATOM 2328 CA LYS F 29 -17.892 -4.651 11.078 1.00 0.41 C ATOM 2329 C LYS F 29 -18.065 -5.918 11.915 1.00 0.41 C ATOM 2330 O LYS F 29 -19.054 -6.620 11.803 1.00 0.41 O ATOM 2331 CB LYS F 29 -19.235 -4.260 10.454 1.00 0.41 C ATOM 2332 CG LYS F 29 -19.853 -3.117 11.260 1.00 0.41 C ATOM 2333 CD LYS F 29 -20.457 -3.673 12.552 1.00 0.41 C ATOM 2334 CE LYS F 29 -21.736 -4.446 12.225 1.00 0.41 C ATOM 2335 NZ LYS F 29 -22.888 -3.829 12.944 1.00 0.41 N ATOM 0 H LYS F 29 -17.274 -4.951 9.057 1.00 0.41 H new ATOM 0 HA LYS F 29 -17.543 -3.835 11.711 1.00 0.41 H new ATOM 0 HB2 LYS F 29 -19.092 -3.954 9.418 1.00 0.41 H new ATOM 0 HB3 LYS F 29 -19.907 -5.118 10.443 1.00 0.41 H new ATOM 0 HG2 LYS F 29 -19.094 -2.370 11.493 1.00 0.41 H new ATOM 0 HG3 LYS F 29 -20.623 -2.617 10.672 1.00 0.41 H new ATOM 0 HD2 LYS F 29 -19.741 -4.327 13.049 1.00 0.41 H new ATOM 0 HD3 LYS F 29 -20.678 -2.859 13.243 1.00 0.41 H new ATOM 0 HE2 LYS F 29 -21.916 -4.434 11.150 1.00 0.41 H new ATOM 0 HE3 LYS F 29 -21.628 -5.490 12.518 1.00 0.41 H new ATOM 0 HZ1 LYS F 29 -23.758 -4.354 12.722 1.00 0.41 H new ATOM 0 HZ2 LYS F 29 -22.716 -3.862 13.969 1.00 0.41 H new ATOM 0 HZ3 LYS F 29 -22.995 -2.839 12.643 1.00 0.41 H new ATOM 2349 N THR F 30 -17.109 -6.221 12.751 1.00 0.43 N ATOM 2350 CA THR F 30 -17.217 -7.447 13.594 1.00 0.43 C ATOM 2351 C THR F 30 -18.291 -7.236 14.666 1.00 0.43 C ATOM 2352 O THR F 30 -18.007 -6.546 15.635 1.00 0.43 O ATOM 2353 CB THR F 30 -15.868 -7.731 14.266 1.00 0.43 C ATOM 2354 OG1 THR F 30 -14.844 -7.766 13.278 1.00 0.43 O ATOM 2355 CG2 THR F 30 -15.928 -9.079 14.990 1.00 0.43 C ATOM 2356 OXT THR F 30 -19.380 -7.766 14.500 1.00 0.43 O ATOM 0 H THR F 30 -16.259 -5.674 12.887 1.00 0.43 H new ATOM 0 HA THR F 30 -17.492 -8.295 12.967 1.00 0.43 H new ATOM 0 HB THR F 30 -15.650 -6.944 14.988 1.00 0.43 H new ATOM 0 HG1 THR F 30 -13.981 -7.946 13.707 1.00 0.43 H new ATOM 0 HG21 THR F 30 -14.968 -9.279 15.467 1.00 0.43 H new ATOM 0 HG22 THR F 30 -16.711 -9.050 15.748 1.00 0.43 H new ATOM 0 HG23 THR F 30 -16.147 -9.869 14.271 1.00 0.43 H new TER 2364 THR F 30 ATOM 2365 N GLY G 1 -16.782 -6.560 -13.983 1.00 0.31 N ATOM 2366 CA GLY G 1 -17.879 -6.388 -12.983 1.00 0.31 C ATOM 2367 C GLY G 1 -17.559 -5.200 -12.074 1.00 0.31 C ATOM 2368 O GLY G 1 -18.176 -4.155 -12.157 1.00 0.31 O ATOM 0 H1 GLY G 1 -17.149 -7.057 -14.819 1.00 0.31 H new ATOM 0 H2 GLY G 1 -16.421 -5.627 -14.266 1.00 0.31 H new ATOM 0 H3 GLY G 1 -16.011 -7.116 -13.561 1.00 0.31 H new ATOM 0 HA2 GLY G 1 -18.828 -6.224 -13.493 1.00 0.31 H new ATOM 0 HA3 GLY G 1 -17.989 -7.295 -12.389 1.00 0.31 H new ATOM 2374 N ILE G 2 -16.595 -5.350 -11.208 1.00 0.03 N ATOM 2375 CA ILE G 2 -16.231 -4.230 -10.298 1.00 0.03 C ATOM 2376 C ILE G 2 -14.780 -3.832 -10.553 1.00 0.03 C ATOM 2377 O ILE G 2 -14.425 -2.671 -10.513 1.00 0.03 O ATOM 2378 CB ILE G 2 -16.388 -4.680 -8.846 1.00 0.03 C ATOM 2379 CG1 ILE G 2 -16.005 -3.528 -7.914 1.00 0.03 C ATOM 2380 CG2 ILE G 2 -15.471 -5.877 -8.581 1.00 0.03 C ATOM 2381 CD1 ILE G 2 -16.356 -3.899 -6.473 1.00 0.03 C ATOM 0 H ILE G 2 -16.044 -6.200 -11.092 1.00 0.03 H new ATOM 0 HA ILE G 2 -16.885 -3.378 -10.484 1.00 0.03 H new ATOM 0 HB ILE G 2 -17.423 -4.968 -8.663 1.00 0.03 H new ATOM 0 HG12 ILE G 2 -14.939 -3.318 -7.997 1.00 0.03 H new ATOM 0 HG13 ILE G 2 -16.532 -2.620 -8.206 1.00 0.03 H new ATOM 0 HG21 ILE G 2 -15.582 -6.198 -7.545 1.00 0.03 H new ATOM 0 HG22 ILE G 2 -15.741 -6.697 -9.247 1.00 0.03 H new ATOM 0 HG23 ILE G 2 -14.435 -5.589 -8.762 1.00 0.03 H new ATOM 0 HD11 ILE G 2 -16.083 -3.079 -5.809 1.00 0.03 H new ATOM 0 HD12 ILE G 2 -17.427 -4.087 -6.396 1.00 0.03 H new ATOM 0 HD13 ILE G 2 -15.808 -4.796 -6.185 1.00 0.03 H new ATOM 2393 N VAL G 3 -13.937 -4.788 -10.816 1.00 0.00 N ATOM 2394 CA VAL G 3 -12.510 -4.469 -11.073 1.00 0.00 C ATOM 2395 C VAL G 3 -12.372 -3.816 -12.447 1.00 0.00 C ATOM 2396 O VAL G 3 -11.866 -2.721 -12.584 1.00 0.00 O ATOM 2397 CB VAL G 3 -11.693 -5.758 -11.043 1.00 0.00 C ATOM 2398 CG1 VAL G 3 -10.206 -5.415 -11.102 1.00 0.00 C ATOM 2399 CG2 VAL G 3 -11.993 -6.521 -9.751 1.00 0.00 C ATOM 0 H VAL G 3 -14.176 -5.778 -10.864 1.00 0.00 H new ATOM 0 HA VAL G 3 -12.146 -3.784 -10.307 1.00 0.00 H new ATOM 0 HB VAL G 3 -11.957 -6.379 -11.899 1.00 0.00 H new ATOM 0 HG11 VAL G 3 -9.620 -6.334 -11.081 1.00 0.00 H new ATOM 0 HG12 VAL G 3 -9.994 -4.871 -12.022 1.00 0.00 H new ATOM 0 HG13 VAL G 3 -9.941 -4.796 -10.245 1.00 0.00 H new ATOM 0 HG21 VAL G 3 -11.410 -7.442 -9.728 1.00 0.00 H new ATOM 0 HG22 VAL G 3 -11.728 -5.903 -8.893 1.00 0.00 H new ATOM 0 HG23 VAL G 3 -13.055 -6.763 -9.710 1.00 0.00 H new ATOM 2409 N GLU G 4 -12.819 -4.488 -13.464 1.00 0.40 N ATOM 2410 CA GLU G 4 -12.720 -3.925 -14.837 1.00 0.40 C ATOM 2411 C GLU G 4 -13.449 -2.584 -14.903 1.00 0.40 C ATOM 2412 O GLU G 4 -13.174 -1.756 -15.747 1.00 0.40 O ATOM 2413 CB GLU G 4 -13.381 -4.899 -15.813 1.00 0.40 C ATOM 2414 CG GLU G 4 -12.664 -4.845 -17.160 1.00 0.40 C ATOM 2415 CD GLU G 4 -13.255 -5.907 -18.089 1.00 0.40 C ATOM 2416 OE1 GLU G 4 -13.003 -7.080 -17.853 1.00 0.40 O ATOM 2417 OE2 GLU G 4 -13.956 -5.531 -19.018 1.00 0.40 O ATOM 0 H GLU G 4 -13.252 -5.410 -13.405 1.00 0.40 H new ATOM 0 HA GLU G 4 -11.672 -3.777 -15.097 1.00 0.40 H new ATOM 0 HB2 GLU G 4 -13.345 -5.912 -15.411 1.00 0.40 H new ATOM 0 HB3 GLU G 4 -14.433 -4.644 -15.940 1.00 0.40 H new ATOM 0 HG2 GLU G 4 -12.773 -3.855 -17.604 1.00 0.40 H new ATOM 0 HG3 GLU G 4 -11.596 -5.017 -17.024 1.00 0.40 H new ATOM 2424 N GLN G 5 -14.393 -2.375 -14.038 1.00 0.23 N ATOM 2425 CA GLN G 5 -15.165 -1.104 -14.067 1.00 0.23 C ATOM 2426 C GLN G 5 -14.422 -0.001 -13.305 1.00 0.23 C ATOM 2427 O GLN G 5 -14.468 1.153 -13.679 1.00 0.23 O ATOM 2428 CB GLN G 5 -16.528 -1.353 -13.414 1.00 0.23 C ATOM 2429 CG GLN G 5 -17.344 -0.060 -13.391 1.00 0.23 C ATOM 2430 CD GLN G 5 -18.545 -0.243 -12.464 1.00 0.23 C ATOM 2431 OE1 GLN G 5 -19.190 -1.272 -12.486 1.00 0.23 O ATOM 2432 NE2 GLN G 5 -18.874 0.717 -11.644 1.00 0.23 N ATOM 0 H GLN G 5 -14.667 -3.031 -13.307 1.00 0.23 H new ATOM 0 HA GLN G 5 -15.290 -0.778 -15.100 1.00 0.23 H new ATOM 0 HB2 GLN G 5 -17.068 -2.123 -13.964 1.00 0.23 H new ATOM 0 HB3 GLN G 5 -16.391 -1.724 -12.398 1.00 0.23 H new ATOM 0 HG2 GLN G 5 -16.726 0.769 -13.046 1.00 0.23 H new ATOM 0 HG3 GLN G 5 -17.680 0.190 -14.397 1.00 0.23 H new ATOM 0 HE21 GLN G 5 -18.332 1.581 -11.626 1.00 0.23 H new ATOM 0 HE22 GLN G 5 -19.673 0.604 -11.021 1.00 0.23 H new ATOM 2441 N CYS G 6 -13.768 -0.333 -12.229 1.00 0.00 N ATOM 2442 CA CYS G 6 -13.065 0.717 -11.442 1.00 0.00 C ATOM 2443 C CYS G 6 -11.582 0.768 -11.801 1.00 0.00 C ATOM 2444 O CYS G 6 -10.921 1.757 -11.552 1.00 0.00 O ATOM 2445 CB CYS G 6 -13.221 0.419 -9.953 1.00 0.00 C ATOM 2446 SG CYS G 6 -14.980 0.252 -9.552 1.00 0.00 S ATOM 0 H CYS G 6 -13.689 -1.281 -11.861 1.00 0.00 H new ATOM 0 HA CYS G 6 -13.508 1.685 -11.678 1.00 0.00 H new ATOM 0 HB2 CYS G 6 -12.690 -0.498 -9.697 1.00 0.00 H new ATOM 0 HB3 CYS G 6 -12.777 1.220 -9.362 1.00 0.00 H new ATOM 2451 N CYS G 7 -11.048 -0.270 -12.383 1.00 0.08 N ATOM 2452 CA CYS G 7 -9.602 -0.239 -12.752 1.00 0.08 C ATOM 2453 C CYS G 7 -9.449 0.232 -14.203 1.00 0.08 C ATOM 2454 O CYS G 7 -8.440 -0.003 -14.835 1.00 0.08 O ATOM 2455 CB CYS G 7 -8.991 -1.635 -12.586 1.00 0.08 C ATOM 2456 SG CYS G 7 -7.183 -1.501 -12.605 1.00 0.08 S ATOM 0 H CYS G 7 -11.543 -1.131 -12.618 1.00 0.08 H new ATOM 0 HA CYS G 7 -9.079 0.455 -12.095 1.00 0.08 H new ATOM 0 HB2 CYS G 7 -9.325 -2.082 -11.649 1.00 0.08 H new ATOM 0 HB3 CYS G 7 -9.327 -2.290 -13.390 1.00 0.08 H new ATOM 2461 N THR G 8 -10.436 0.909 -14.734 1.00 0.27 N ATOM 2462 CA THR G 8 -10.335 1.403 -16.138 1.00 0.27 C ATOM 2463 C THR G 8 -10.439 2.926 -16.138 1.00 0.27 C ATOM 2464 O THR G 8 -9.701 3.609 -16.819 1.00 0.27 O ATOM 2465 CB THR G 8 -11.474 0.826 -16.978 1.00 0.27 C ATOM 2466 OG1 THR G 8 -12.699 0.974 -16.274 1.00 0.27 O ATOM 2467 CG2 THR G 8 -11.211 -0.656 -17.253 1.00 0.27 C ATOM 0 H THR G 8 -11.306 1.140 -14.255 1.00 0.27 H new ATOM 0 HA THR G 8 -9.381 1.090 -16.562 1.00 0.27 H new ATOM 0 HB THR G 8 -11.534 1.360 -17.927 1.00 0.27 H new ATOM 0 HG1 THR G 8 -13.029 0.092 -16.002 1.00 0.27 H new ATOM 0 HG21 THR G 8 -12.025 -1.065 -17.852 1.00 0.27 H new ATOM 0 HG22 THR G 8 -10.271 -0.764 -17.795 1.00 0.27 H new ATOM 0 HG23 THR G 8 -11.149 -1.196 -16.308 1.00 0.27 H new ATOM 2475 N SER G 9 -11.344 3.465 -15.368 1.00 0.31 N ATOM 2476 CA SER G 9 -11.487 4.945 -15.314 1.00 0.31 C ATOM 2477 C SER G 9 -11.844 5.377 -13.888 1.00 0.31 C ATOM 2478 O SER G 9 -12.394 6.438 -13.675 1.00 0.31 O ATOM 2479 CB SER G 9 -12.591 5.385 -16.271 1.00 0.31 C ATOM 2480 OG SER G 9 -12.675 4.455 -17.344 1.00 0.31 O ATOM 0 H SER G 9 -11.990 2.944 -14.775 1.00 0.31 H new ATOM 0 HA SER G 9 -10.545 5.409 -15.606 1.00 0.31 H new ATOM 0 HB2 SER G 9 -13.544 5.440 -15.745 1.00 0.31 H new ATOM 0 HB3 SER G 9 -12.380 6.383 -16.654 1.00 0.31 H new ATOM 0 HG SER G 9 -13.384 4.731 -17.962 1.00 0.31 H new ATOM 2486 N ILE G 10 -11.524 4.567 -12.913 1.00 0.14 N ATOM 2487 CA ILE G 10 -11.826 4.925 -11.497 1.00 0.14 C ATOM 2488 C ILE G 10 -13.336 5.081 -11.290 1.00 0.14 C ATOM 2489 O ILE G 10 -13.985 5.887 -11.923 1.00 0.14 O ATOM 2490 CB ILE G 10 -11.111 6.231 -11.137 1.00 0.14 C ATOM 2491 CG1 ILE G 10 -9.601 6.034 -11.296 1.00 0.14 C ATOM 2492 CG2 ILE G 10 -11.425 6.611 -9.690 1.00 0.14 C ATOM 2493 CD1 ILE G 10 -8.901 7.393 -11.240 1.00 0.14 C ATOM 0 H ILE G 10 -11.063 3.666 -13.039 1.00 0.14 H new ATOM 0 HA ILE G 10 -11.471 4.124 -10.848 1.00 0.14 H new ATOM 0 HB ILE G 10 -11.453 7.028 -11.798 1.00 0.14 H new ATOM 0 HG12 ILE G 10 -9.223 5.385 -10.506 1.00 0.14 H new ATOM 0 HG13 ILE G 10 -9.386 5.541 -12.244 1.00 0.14 H new ATOM 0 HG21 ILE G 10 -10.914 7.541 -9.439 1.00 0.14 H new ATOM 0 HG22 ILE G 10 -12.500 6.745 -9.574 1.00 0.14 H new ATOM 0 HG23 ILE G 10 -11.085 5.818 -9.024 1.00 0.14 H new ATOM 0 HD11 ILE G 10 -7.826 7.253 -11.353 1.00 0.14 H new ATOM 0 HD12 ILE G 10 -9.271 8.027 -12.046 1.00 0.14 H new ATOM 0 HD13 ILE G 10 -9.106 7.869 -10.281 1.00 0.14 H new ATOM 2505 N CYS G 11 -13.891 4.315 -10.388 1.00 0.04 N ATOM 2506 CA CYS G 11 -15.350 4.414 -10.114 1.00 0.04 C ATOM 2507 C CYS G 11 -15.608 5.621 -9.214 1.00 0.04 C ATOM 2508 O CYS G 11 -14.729 6.079 -8.513 1.00 0.04 O ATOM 2509 CB CYS G 11 -15.823 3.152 -9.393 1.00 0.04 C ATOM 2510 SG CYS G 11 -15.872 1.765 -10.553 1.00 0.04 S ATOM 0 H CYS G 11 -13.392 3.623 -9.828 1.00 0.04 H new ATOM 0 HA CYS G 11 -15.889 4.524 -11.055 1.00 0.04 H new ATOM 0 HB2 CYS G 11 -15.152 2.922 -8.565 1.00 0.04 H new ATOM 0 HB3 CYS G 11 -16.812 3.316 -8.966 1.00 0.04 H new ATOM 2515 N SER G 12 -16.806 6.134 -9.220 1.00 0.24 N ATOM 2516 CA SER G 12 -17.113 7.306 -8.355 1.00 0.24 C ATOM 2517 C SER G 12 -17.557 6.812 -6.978 1.00 0.24 C ATOM 2518 O SER G 12 -17.922 5.664 -6.808 1.00 0.24 O ATOM 2519 CB SER G 12 -18.234 8.131 -8.989 1.00 0.24 C ATOM 2520 OG SER G 12 -19.286 7.263 -9.389 1.00 0.24 O ATOM 0 H SER G 12 -17.584 5.793 -9.785 1.00 0.24 H new ATOM 0 HA SER G 12 -16.224 7.928 -8.252 1.00 0.24 H new ATOM 0 HB2 SER G 12 -18.606 8.868 -8.278 1.00 0.24 H new ATOM 0 HB3 SER G 12 -17.854 8.682 -9.850 1.00 0.24 H new ATOM 0 HG SER G 12 -19.127 6.958 -10.307 1.00 0.24 H new ATOM 2526 N LEU G 13 -17.527 7.666 -5.993 1.00 0.21 N ATOM 2527 CA LEU G 13 -17.941 7.248 -4.623 1.00 0.21 C ATOM 2528 C LEU G 13 -19.330 6.601 -4.661 1.00 0.21 C ATOM 2529 O LEU G 13 -19.566 5.581 -4.045 1.00 0.21 O ATOM 2530 CB LEU G 13 -17.979 8.476 -3.716 1.00 0.21 C ATOM 2531 CG LEU G 13 -18.024 8.025 -2.256 1.00 0.21 C ATOM 2532 CD1 LEU G 13 -17.230 9.010 -1.396 1.00 0.21 C ATOM 2533 CD2 LEU G 13 -19.477 7.986 -1.781 1.00 0.21 C ATOM 0 H LEU G 13 -17.233 8.639 -6.078 1.00 0.21 H new ATOM 0 HA LEU G 13 -17.224 6.522 -4.239 1.00 0.21 H new ATOM 0 HB2 LEU G 13 -17.101 9.098 -3.890 1.00 0.21 H new ATOM 0 HB3 LEU G 13 -18.852 9.086 -3.947 1.00 0.21 H new ATOM 0 HG LEU G 13 -17.587 7.031 -2.166 1.00 0.21 H new ATOM 0 HD11 LEU G 13 -17.261 8.690 -0.354 1.00 0.21 H new ATOM 0 HD12 LEU G 13 -16.195 9.038 -1.737 1.00 0.21 H new ATOM 0 HD13 LEU G 13 -17.668 10.004 -1.483 1.00 0.21 H new ATOM 0 HD21 LEU G 13 -19.511 7.665 -0.740 1.00 0.21 H new ATOM 0 HD22 LEU G 13 -19.915 8.980 -1.868 1.00 0.21 H new ATOM 0 HD23 LEU G 13 -20.042 7.285 -2.396 1.00 0.21 H new ATOM 2545 N TYR G 14 -20.254 7.188 -5.370 1.00 0.53 N ATOM 2546 CA TYR G 14 -21.625 6.603 -5.430 1.00 0.53 C ATOM 2547 C TYR G 14 -21.588 5.255 -6.149 1.00 0.53 C ATOM 2548 O TYR G 14 -22.415 4.397 -5.919 1.00 0.53 O ATOM 2549 CB TYR G 14 -22.552 7.560 -6.183 1.00 0.53 C ATOM 2550 CG TYR G 14 -22.667 8.847 -5.406 1.00 0.53 C ATOM 2551 CD1 TYR G 14 -23.384 8.868 -4.141 1.00 0.53 C ATOM 2552 CD2 TYR G 14 -22.052 10.063 -5.913 1.00 0.53 C ATOM 2553 CE1 TYR G 14 -23.488 10.104 -3.383 1.00 0.53 C ATOM 2554 CE2 TYR G 14 -22.157 11.302 -5.156 1.00 0.53 C ATOM 2555 CZ TYR G 14 -22.875 11.321 -3.890 1.00 0.53 C ATOM 2556 OH TYR G 14 -22.971 12.495 -3.168 1.00 0.53 O ATOM 0 H TYR G 14 -20.121 8.044 -5.909 1.00 0.53 H new ATOM 0 HA TYR G 14 -21.996 6.454 -4.416 1.00 0.53 H new ATOM 0 HB2 TYR G 14 -22.160 7.757 -7.181 1.00 0.53 H new ATOM 0 HB3 TYR G 14 -23.536 7.108 -6.311 1.00 0.53 H new ATOM 0 HD1 TYR G 14 -23.840 7.964 -3.764 1.00 0.53 H new ATOM 0 HD2 TYR G 14 -21.517 10.047 -6.851 1.00 0.53 H new ATOM 0 HE1 TYR G 14 -24.020 10.118 -2.443 1.00 0.53 H new ATOM 0 HE2 TYR G 14 -21.703 12.206 -5.533 1.00 0.53 H new ATOM 0 HH TYR G 14 -22.506 13.213 -3.647 1.00 0.53 H new ATOM 2566 N GLN G 15 -20.642 5.060 -7.022 1.00 0.24 N ATOM 2567 CA GLN G 15 -20.565 3.765 -7.754 1.00 0.24 C ATOM 2568 C GLN G 15 -20.002 2.688 -6.830 1.00 0.24 C ATOM 2569 O GLN G 15 -20.374 1.532 -6.902 1.00 0.24 O ATOM 2570 CB GLN G 15 -19.640 3.921 -8.960 1.00 0.24 C ATOM 2571 CG GLN G 15 -20.456 4.335 -10.181 1.00 0.24 C ATOM 2572 CD GLN G 15 -19.508 4.666 -11.334 1.00 0.24 C ATOM 2573 OE1 GLN G 15 -18.930 5.735 -11.373 1.00 0.24 O ATOM 2574 NE2 GLN G 15 -19.318 3.785 -12.279 1.00 0.24 N ATOM 0 H GLN G 15 -19.919 5.739 -7.261 1.00 0.24 H new ATOM 0 HA GLN G 15 -21.562 3.477 -8.086 1.00 0.24 H new ATOM 0 HB2 GLN G 15 -18.876 4.669 -8.750 1.00 0.24 H new ATOM 0 HB3 GLN G 15 -19.122 2.983 -9.157 1.00 0.24 H new ATOM 0 HG2 GLN G 15 -21.132 3.531 -10.471 1.00 0.24 H new ATOM 0 HG3 GLN G 15 -21.074 5.201 -9.943 1.00 0.24 H new ATOM 0 HE21 GLN G 15 -19.803 2.888 -12.245 1.00 0.24 H new ATOM 0 HE22 GLN G 15 -18.684 3.993 -13.051 1.00 0.24 H new ATOM 2583 N LEU G 16 -19.097 3.058 -5.969 1.00 0.02 N ATOM 2584 CA LEU G 16 -18.492 2.064 -5.041 1.00 0.02 C ATOM 2585 C LEU G 16 -19.527 1.620 -4.005 1.00 0.02 C ATOM 2586 O LEU G 16 -19.491 0.509 -3.512 1.00 0.02 O ATOM 2587 CB LEU G 16 -17.300 2.711 -4.339 1.00 0.02 C ATOM 2588 CG LEU G 16 -16.254 3.102 -5.385 1.00 0.02 C ATOM 2589 CD1 LEU G 16 -15.133 3.897 -4.719 1.00 0.02 C ATOM 2590 CD2 LEU G 16 -15.671 1.838 -6.017 1.00 0.02 C ATOM 0 H LEU G 16 -18.749 4.011 -5.868 1.00 0.02 H new ATOM 0 HA LEU G 16 -18.162 1.189 -5.601 1.00 0.02 H new ATOM 0 HB2 LEU G 16 -17.623 3.591 -3.783 1.00 0.02 H new ATOM 0 HB3 LEU G 16 -16.868 2.019 -3.616 1.00 0.02 H new ATOM 0 HG LEU G 16 -16.724 3.714 -6.155 1.00 0.02 H new ATOM 0 HD11 LEU G 16 -14.390 4.174 -5.467 1.00 0.02 H new ATOM 0 HD12 LEU G 16 -15.546 4.799 -4.266 1.00 0.02 H new ATOM 0 HD13 LEU G 16 -14.662 3.287 -3.948 1.00 0.02 H new ATOM 0 HD21 LEU G 16 -14.926 2.115 -6.763 1.00 0.02 H new ATOM 0 HD22 LEU G 16 -15.203 1.228 -5.245 1.00 0.02 H new ATOM 0 HD23 LEU G 16 -16.468 1.269 -6.495 1.00 0.02 H new ATOM 2602 N GLU G 17 -20.453 2.476 -3.673 1.00 0.29 N ATOM 2603 CA GLU G 17 -21.490 2.106 -2.669 1.00 0.29 C ATOM 2604 C GLU G 17 -22.261 0.866 -3.136 1.00 0.29 C ATOM 2605 O GLU G 17 -22.614 0.012 -2.348 1.00 0.29 O ATOM 2606 CB GLU G 17 -22.468 3.269 -2.508 1.00 0.29 C ATOM 2607 CG GLU G 17 -22.068 4.108 -1.295 1.00 0.29 C ATOM 2608 CD GLU G 17 -23.324 4.688 -0.646 1.00 0.29 C ATOM 2609 OE1 GLU G 17 -24.123 3.910 -0.152 1.00 0.29 O ATOM 2610 OE2 GLU G 17 -23.466 5.901 -0.655 1.00 0.29 O ATOM 0 H GLU G 17 -20.537 3.418 -4.055 1.00 0.29 H new ATOM 0 HA GLU G 17 -21.003 1.888 -1.718 1.00 0.29 H new ATOM 0 HB2 GLU G 17 -22.467 3.886 -3.407 1.00 0.29 H new ATOM 0 HB3 GLU G 17 -23.482 2.890 -2.383 1.00 0.29 H new ATOM 0 HG2 GLU G 17 -21.524 3.494 -0.577 1.00 0.29 H new ATOM 0 HG3 GLU G 17 -21.398 4.912 -1.599 1.00 0.29 H new ATOM 2617 N ASN G 18 -22.536 0.763 -4.409 1.00 0.41 N ATOM 2618 CA ASN G 18 -23.296 -0.416 -4.919 1.00 0.41 C ATOM 2619 C ASN G 18 -22.621 -1.711 -4.470 1.00 0.41 C ATOM 2620 O ASN G 18 -23.266 -2.722 -4.280 1.00 0.41 O ATOM 2621 CB ASN G 18 -23.341 -0.373 -6.447 1.00 0.41 C ATOM 2622 CG ASN G 18 -23.776 1.019 -6.901 1.00 0.41 C ATOM 2623 OD1 ASN G 18 -24.639 1.625 -6.297 1.00 0.41 O ATOM 2624 ND2 ASN G 18 -23.210 1.557 -7.947 1.00 0.41 N ATOM 0 H ASN G 18 -22.267 1.445 -5.118 1.00 0.41 H new ATOM 0 HA ASN G 18 -24.309 -0.383 -4.519 1.00 0.41 H new ATOM 0 HB2 ASN G 18 -22.360 -0.612 -6.858 1.00 0.41 H new ATOM 0 HB3 ASN G 18 -24.036 -1.124 -6.823 1.00 0.41 H new ATOM 0 HD21 ASN G 18 -23.492 2.487 -8.258 1.00 0.41 H new ATOM 0 HD22 ASN G 18 -22.486 1.048 -8.453 1.00 0.41 H new ATOM 2631 N TYR G 19 -21.331 -1.694 -4.301 1.00 0.10 N ATOM 2632 CA TYR G 19 -20.627 -2.932 -3.866 1.00 0.10 C ATOM 2633 C TYR G 19 -20.539 -2.994 -2.333 1.00 0.10 C ATOM 2634 O TYR G 19 -20.178 -4.010 -1.772 1.00 0.10 O ATOM 2635 CB TYR G 19 -19.221 -2.945 -4.462 1.00 0.10 C ATOM 2636 CG TYR G 19 -19.321 -2.737 -5.953 1.00 0.10 C ATOM 2637 CD1 TYR G 19 -19.531 -3.877 -6.832 1.00 0.10 C ATOM 2638 CD2 TYR G 19 -19.211 -1.399 -6.510 1.00 0.10 C ATOM 2639 CE1 TYR G 19 -19.631 -3.678 -8.269 1.00 0.10 C ATOM 2640 CE2 TYR G 19 -19.310 -1.200 -7.947 1.00 0.10 C ATOM 2641 CZ TYR G 19 -19.520 -2.340 -8.827 1.00 0.10 C ATOM 2642 OH TYR G 19 -19.613 -2.152 -10.191 1.00 0.10 O ATOM 0 H TYR G 19 -20.734 -0.880 -4.444 1.00 0.10 H new ATOM 0 HA TYR G 19 -21.187 -3.799 -4.215 1.00 0.10 H new ATOM 0 HB2 TYR G 19 -18.613 -2.160 -4.012 1.00 0.10 H new ATOM 0 HB3 TYR G 19 -18.729 -3.893 -4.246 1.00 0.10 H new ATOM 0 HD1 TYR G 19 -19.613 -4.871 -6.417 1.00 0.10 H new ATOM 0 HD2 TYR G 19 -19.056 -0.553 -5.857 1.00 0.10 H new ATOM 0 HE1 TYR G 19 -19.788 -4.524 -8.922 1.00 0.10 H new ATOM 0 HE2 TYR G 19 -19.228 -0.206 -8.361 1.00 0.10 H new ATOM 0 HH TYR G 19 -18.715 -2.039 -10.568 1.00 0.10 H new ATOM 2652 N CYS G 20 -20.866 -1.929 -1.644 1.00 0.06 N ATOM 2653 CA CYS G 20 -20.797 -1.962 -0.159 1.00 0.06 C ATOM 2654 C CYS G 20 -21.691 -3.086 0.366 1.00 0.06 C ATOM 2655 O CYS G 20 -22.545 -3.595 -0.333 1.00 0.06 O ATOM 2656 CB CYS G 20 -21.283 -0.627 0.399 1.00 0.06 C ATOM 2657 SG CYS G 20 -20.571 -0.368 2.039 1.00 0.06 S ATOM 0 H CYS G 20 -21.176 -1.045 -2.047 1.00 0.06 H new ATOM 0 HA CYS G 20 -19.768 -2.137 0.155 1.00 0.06 H new ATOM 0 HB2 CYS G 20 -20.994 0.185 -0.268 1.00 0.06 H new ATOM 0 HB3 CYS G 20 -22.371 -0.619 0.457 1.00 0.06 H new ATOM 2662 N ASN G 21 -21.503 -3.476 1.591 1.00 0.41 N ATOM 2663 CA ASN G 21 -22.340 -4.565 2.161 1.00 0.41 C ATOM 2664 C ASN G 21 -23.445 -3.960 3.026 1.00 0.41 C ATOM 2665 O ASN G 21 -24.505 -4.560 3.104 1.00 0.41 O ATOM 2666 CB ASN G 21 -21.463 -5.477 3.020 1.00 0.41 C ATOM 2667 CG ASN G 21 -22.308 -6.624 3.570 1.00 0.41 C ATOM 2668 OD1 ASN G 21 -23.140 -6.422 4.434 1.00 0.41 O ATOM 2669 ND2 ASN G 21 -22.132 -7.831 3.104 1.00 0.41 N ATOM 2670 OXT ASN G 21 -23.214 -2.905 3.597 1.00 0.41 O ATOM 0 H ASN G 21 -20.805 -3.088 2.225 1.00 0.41 H new ATOM 0 HA ASN G 21 -22.789 -5.142 1.353 1.00 0.41 H new ATOM 0 HB2 ASN G 21 -20.638 -5.871 2.426 1.00 0.41 H new ATOM 0 HB3 ASN G 21 -21.023 -4.909 3.840 1.00 0.41 H new ATOM 0 HD21 ASN G 21 -22.692 -8.604 3.464 1.00 0.41 H new ATOM 0 HD22 ASN G 21 -21.435 -8.001 2.379 1.00 0.41 H new TER 2677 ASN G 21 ATOM 2678 N PHE H 1 -2.345 -7.525 -17.711 1.00 0.55 N ATOM 2679 CA PHE H 1 -3.028 -8.594 -16.924 1.00 0.55 C ATOM 2680 C PHE H 1 -2.646 -8.466 -15.446 1.00 0.55 C ATOM 2681 O PHE H 1 -3.387 -8.854 -14.563 1.00 0.55 O ATOM 2682 CB PHE H 1 -2.592 -9.966 -17.442 1.00 0.55 C ATOM 2683 CG PHE H 1 -3.324 -11.039 -16.675 1.00 0.55 C ATOM 2684 CD1 PHE H 1 -2.826 -11.474 -15.380 1.00 0.55 C ATOM 2685 CD2 PHE H 1 -4.530 -11.633 -17.230 1.00 0.55 C ATOM 2686 CE1 PHE H 1 -3.534 -12.506 -14.639 1.00 0.55 C ATOM 2687 CE2 PHE H 1 -5.237 -12.665 -16.489 1.00 0.55 C ATOM 2688 CZ PHE H 1 -4.740 -13.102 -15.192 1.00 0.55 C ATOM 0 H1 PHE H 1 -2.766 -7.470 -18.660 1.00 0.55 H new ATOM 0 H2 PHE H 1 -2.460 -6.611 -17.228 1.00 0.55 H new ATOM 0 H3 PHE H 1 -1.333 -7.748 -17.794 1.00 0.55 H new ATOM 0 HA PHE H 1 -4.107 -8.488 -17.032 1.00 0.55 H new ATOM 0 HB2 PHE H 1 -2.808 -10.052 -18.507 1.00 0.55 H new ATOM 0 HB3 PHE H 1 -1.515 -10.088 -17.324 1.00 0.55 H new ATOM 0 HD1 PHE H 1 -1.931 -11.031 -14.969 1.00 0.55 H new ATOM 0 HD2 PHE H 1 -4.900 -11.308 -18.191 1.00 0.55 H new ATOM 0 HE1 PHE H 1 -3.164 -12.830 -13.677 1.00 0.55 H new ATOM 0 HE2 PHE H 1 -6.132 -13.108 -16.901 1.00 0.55 H new ATOM 0 HZ PHE H 1 -5.266 -13.868 -14.641 1.00 0.55 H new ATOM 2700 N VAL H 2 -1.492 -7.926 -15.174 1.00 0.05 N ATOM 2701 CA VAL H 2 -1.060 -7.771 -13.762 1.00 0.05 C ATOM 2702 C VAL H 2 -1.770 -6.567 -13.140 1.00 0.05 C ATOM 2703 O VAL H 2 -1.987 -6.507 -11.945 1.00 0.05 O ATOM 2704 CB VAL H 2 0.452 -7.542 -13.723 1.00 0.05 C ATOM 2705 CG1 VAL H 2 1.167 -8.739 -14.351 1.00 0.05 C ATOM 2706 CG2 VAL H 2 0.796 -6.278 -14.514 1.00 0.05 C ATOM 0 H VAL H 2 -0.830 -7.585 -15.871 1.00 0.05 H new ATOM 0 HA VAL H 2 -1.312 -8.671 -13.201 1.00 0.05 H new ATOM 0 HB VAL H 2 0.774 -7.426 -12.688 1.00 0.05 H new ATOM 0 HG11 VAL H 2 2.244 -8.575 -14.323 1.00 0.05 H new ATOM 0 HG12 VAL H 2 0.923 -9.643 -13.793 1.00 0.05 H new ATOM 0 HG13 VAL H 2 0.844 -8.854 -15.386 1.00 0.05 H new ATOM 0 HG21 VAL H 2 1.873 -6.114 -14.487 1.00 0.05 H new ATOM 0 HG22 VAL H 2 0.473 -6.397 -15.548 1.00 0.05 H new ATOM 0 HG23 VAL H 2 0.287 -5.422 -14.071 1.00 0.05 H new ATOM 2716 N ASN H 3 -2.122 -5.601 -13.937 1.00 0.22 N ATOM 2717 CA ASN H 3 -2.802 -4.391 -13.397 1.00 0.22 C ATOM 2718 C ASN H 3 -4.011 -4.786 -12.543 1.00 0.22 C ATOM 2719 O ASN H 3 -4.244 -4.235 -11.489 1.00 0.22 O ATOM 2720 CB ASN H 3 -3.272 -3.524 -14.563 1.00 0.22 C ATOM 2721 CG ASN H 3 -2.807 -2.086 -14.344 1.00 0.22 C ATOM 2722 OD1 ASN H 3 -2.556 -1.681 -13.227 1.00 0.22 O ATOM 2723 ND2 ASN H 3 -2.678 -1.291 -15.372 1.00 0.22 N ATOM 0 H ASN H 3 -1.968 -5.596 -14.945 1.00 0.22 H new ATOM 0 HA ASN H 3 -2.099 -3.839 -12.773 1.00 0.22 H new ATOM 0 HB2 ASN H 3 -2.872 -3.909 -15.501 1.00 0.22 H new ATOM 0 HB3 ASN H 3 -4.359 -3.559 -14.642 1.00 0.22 H new ATOM 0 HD21 ASN H 3 -2.366 -0.329 -15.237 1.00 0.22 H new ATOM 0 HD22 ASN H 3 -2.889 -1.632 -16.310 1.00 0.22 H new ATOM 2730 N GLN H 4 -4.791 -5.721 -12.992 1.00 0.23 N ATOM 2731 CA GLN H 4 -5.992 -6.130 -12.209 1.00 0.23 C ATOM 2732 C GLN H 4 -5.588 -6.595 -10.808 1.00 0.23 C ATOM 2733 O GLN H 4 -6.035 -6.065 -9.812 1.00 0.23 O ATOM 2734 CB GLN H 4 -6.691 -7.280 -12.935 1.00 0.23 C ATOM 2735 CG GLN H 4 -8.127 -7.406 -12.427 1.00 0.23 C ATOM 2736 CD GLN H 4 -8.813 -8.580 -13.126 1.00 0.23 C ATOM 2737 OE1 GLN H 4 -9.389 -8.419 -14.186 1.00 0.23 O ATOM 2738 NE2 GLN H 4 -8.777 -9.766 -12.575 1.00 0.23 N ATOM 0 H GLN H 4 -4.652 -6.224 -13.869 1.00 0.23 H new ATOM 0 HA GLN H 4 -6.662 -5.275 -12.117 1.00 0.23 H new ATOM 0 HB2 GLN H 4 -6.689 -7.100 -14.010 1.00 0.23 H new ATOM 0 HB3 GLN H 4 -6.151 -8.212 -12.767 1.00 0.23 H new ATOM 0 HG2 GLN H 4 -8.130 -7.559 -11.348 1.00 0.23 H new ATOM 0 HG3 GLN H 4 -8.675 -6.484 -12.620 1.00 0.23 H new ATOM 0 HE21 GLN H 4 -8.294 -9.901 -11.687 1.00 0.23 H new ATOM 0 HE22 GLN H 4 -9.232 -10.555 -13.034 1.00 0.23 H new ATOM 2747 N HIS H 5 -4.759 -7.598 -10.730 1.00 0.06 N ATOM 2748 CA HIS H 5 -4.332 -8.129 -9.403 1.00 0.06 C ATOM 2749 C HIS H 5 -3.558 -7.070 -8.610 1.00 0.06 C ATOM 2750 O HIS H 5 -3.318 -7.232 -7.432 1.00 0.06 O ATOM 2751 CB HIS H 5 -3.431 -9.344 -9.623 1.00 0.06 C ATOM 2752 CG HIS H 5 -3.309 -10.121 -8.344 1.00 0.06 C ATOM 2753 ND1 HIS H 5 -3.915 -11.355 -8.167 1.00 0.06 N ATOM 2754 CD2 HIS H 5 -2.648 -9.856 -7.168 1.00 0.06 C ATOM 2755 CE1 HIS H 5 -3.611 -11.784 -6.929 1.00 0.06 C ATOM 2756 NE2 HIS H 5 -2.841 -10.907 -6.276 1.00 0.06 N ATOM 0 H HIS H 5 -4.355 -8.077 -11.535 1.00 0.06 H new ATOM 0 HA HIS H 5 -5.220 -8.406 -8.836 1.00 0.06 H new ATOM 0 HB2 HIS H 5 -3.844 -9.978 -10.407 1.00 0.06 H new ATOM 0 HB3 HIS H 5 -2.446 -9.022 -9.960 1.00 0.06 H new ATOM 0 HD1 HIS H 5 -4.488 -11.848 -8.852 1.00 0.06 H new ATOM 0 HD2 HIS H 5 -2.067 -8.968 -6.967 1.00 0.06 H new ATOM 0 HE1 HIS H 5 -3.948 -12.722 -6.513 1.00 0.06 H new ATOM 2764 N LEU H 6 -3.155 -5.999 -9.235 1.00 0.04 N ATOM 2765 CA LEU H 6 -2.388 -4.957 -8.494 1.00 0.04 C ATOM 2766 C LEU H 6 -3.296 -3.769 -8.167 1.00 0.04 C ATOM 2767 O LEU H 6 -3.403 -3.363 -7.027 1.00 0.04 O ATOM 2768 CB LEU H 6 -1.214 -4.491 -9.351 1.00 0.04 C ATOM 2769 CG LEU H 6 -0.339 -5.697 -9.703 1.00 0.04 C ATOM 2770 CD1 LEU H 6 0.594 -5.335 -10.858 1.00 0.04 C ATOM 2771 CD2 LEU H 6 0.492 -6.095 -8.481 1.00 0.04 C ATOM 0 H LEU H 6 -3.322 -5.800 -10.221 1.00 0.04 H new ATOM 0 HA LEU H 6 -2.014 -5.379 -7.561 1.00 0.04 H new ATOM 0 HB2 LEU H 6 -1.579 -4.013 -10.260 1.00 0.04 H new ATOM 0 HB3 LEU H 6 -0.628 -3.746 -8.813 1.00 0.04 H new ATOM 0 HG LEU H 6 -0.974 -6.531 -10.001 1.00 0.04 H new ATOM 0 HD11 LEU H 6 1.216 -6.195 -11.107 1.00 0.04 H new ATOM 0 HD12 LEU H 6 0.002 -5.051 -11.728 1.00 0.04 H new ATOM 0 HD13 LEU H 6 1.230 -4.500 -10.564 1.00 0.04 H new ATOM 0 HD21 LEU H 6 1.116 -6.954 -8.729 1.00 0.04 H new ATOM 0 HD22 LEU H 6 1.126 -5.259 -8.184 1.00 0.04 H new ATOM 0 HD23 LEU H 6 -0.173 -6.356 -7.658 1.00 0.04 H new ATOM 2783 N CYS H 7 -3.948 -3.200 -9.149 1.00 0.02 N ATOM 2784 CA CYS H 7 -4.836 -2.039 -8.861 1.00 0.02 C ATOM 2785 C CYS H 7 -5.982 -2.486 -7.947 1.00 0.02 C ATOM 2786 O CYS H 7 -6.442 -1.743 -7.103 1.00 0.02 O ATOM 2787 CB CYS H 7 -5.381 -1.437 -10.176 1.00 0.02 C ATOM 2788 SG CYS H 7 -6.564 -2.551 -10.991 1.00 0.02 S ATOM 0 H CYS H 7 -3.904 -3.487 -10.127 1.00 0.02 H new ATOM 0 HA CYS H 7 -4.263 -1.264 -8.352 1.00 0.02 H new ATOM 0 HB2 CYS H 7 -5.866 -0.484 -9.966 1.00 0.02 H new ATOM 0 HB3 CYS H 7 -4.551 -1.231 -10.852 1.00 0.02 H new ATOM 2793 N GLY H 8 -6.440 -3.700 -8.105 1.00 0.00 N ATOM 2794 CA GLY H 8 -7.551 -4.196 -7.241 1.00 0.00 C ATOM 2795 C GLY H 8 -7.165 -4.035 -5.770 1.00 0.00 C ATOM 2796 O GLY H 8 -8.009 -3.902 -4.906 1.00 0.00 O ATOM 0 H GLY H 8 -6.094 -4.368 -8.793 1.00 0.00 H new ATOM 0 HA2 GLY H 8 -8.465 -3.640 -7.451 1.00 0.00 H new ATOM 0 HA3 GLY H 8 -7.757 -5.243 -7.461 1.00 0.00 H new ATOM 2800 N SER H 9 -5.895 -4.041 -5.482 1.00 0.00 N ATOM 2801 CA SER H 9 -5.445 -3.887 -4.071 1.00 0.00 C ATOM 2802 C SER H 9 -5.795 -2.486 -3.568 1.00 0.00 C ATOM 2803 O SER H 9 -6.026 -2.276 -2.394 1.00 0.00 O ATOM 2804 CB SER H 9 -3.930 -4.083 -4.003 1.00 0.00 C ATOM 2805 OG SER H 9 -3.628 -5.058 -3.014 1.00 0.00 O ATOM 0 H SER H 9 -5.145 -4.146 -6.166 1.00 0.00 H new ATOM 0 HA SER H 9 -5.944 -4.630 -3.448 1.00 0.00 H new ATOM 0 HB2 SER H 9 -3.549 -4.402 -4.973 1.00 0.00 H new ATOM 0 HB3 SER H 9 -3.440 -3.140 -3.762 1.00 0.00 H new ATOM 0 HG SER H 9 -3.673 -5.952 -3.412 1.00 0.00 H new ATOM 2811 N HIS H 10 -5.832 -1.522 -4.445 1.00 0.04 N ATOM 2812 CA HIS H 10 -6.159 -0.135 -4.014 1.00 0.04 C ATOM 2813 C HIS H 10 -7.668 0.080 -4.068 1.00 0.04 C ATOM 2814 O HIS H 10 -8.213 0.890 -3.344 1.00 0.04 O ATOM 2815 CB HIS H 10 -5.471 0.861 -4.948 1.00 0.04 C ATOM 2816 CG HIS H 10 -3.984 0.807 -4.729 1.00 0.04 C ATOM 2817 ND1 HIS H 10 -3.416 0.141 -3.651 1.00 0.04 N ATOM 2818 CD2 HIS H 10 -2.933 1.334 -5.441 1.00 0.04 C ATOM 2819 CE1 HIS H 10 -2.081 0.284 -3.744 1.00 0.04 C ATOM 2820 NE2 HIS H 10 -1.733 1.005 -4.817 1.00 0.04 N ATOM 0 H HIS H 10 -5.650 -1.635 -5.442 1.00 0.04 H new ATOM 0 HA HIS H 10 -5.810 0.017 -2.993 1.00 0.04 H new ATOM 0 HB2 HIS H 10 -5.706 0.625 -5.986 1.00 0.04 H new ATOM 0 HB3 HIS H 10 -5.841 1.869 -4.759 1.00 0.04 H new ATOM 0 HD1 HIS H 10 -3.919 -0.364 -2.922 1.00 0.04 H new ATOM 0 HD2 HIS H 10 -3.024 1.915 -6.347 1.00 0.04 H new ATOM 0 HE1 HIS H 10 -1.376 -0.132 -3.039 1.00 0.04 H new ATOM 2828 N LEU H 11 -8.350 -0.639 -4.915 1.00 0.00 N ATOM 2829 CA LEU H 11 -9.829 -0.472 -5.004 1.00 0.00 C ATOM 2830 C LEU H 11 -10.434 -0.820 -3.650 1.00 0.00 C ATOM 2831 O LEU H 11 -11.331 -0.163 -3.165 1.00 0.00 O ATOM 2832 CB LEU H 11 -10.410 -1.417 -6.064 1.00 0.00 C ATOM 2833 CG LEU H 11 -9.627 -1.324 -7.379 1.00 0.00 C ATOM 2834 CD1 LEU H 11 -10.326 -2.173 -8.438 1.00 0.00 C ATOM 2835 CD2 LEU H 11 -9.571 0.130 -7.853 1.00 0.00 C ATOM 0 H LEU H 11 -7.950 -1.332 -5.547 1.00 0.00 H new ATOM 0 HA LEU H 11 -10.061 0.556 -5.281 1.00 0.00 H new ATOM 0 HB2 LEU H 11 -10.384 -2.442 -5.694 1.00 0.00 H new ATOM 0 HB3 LEU H 11 -11.456 -1.168 -6.242 1.00 0.00 H new ATOM 0 HG LEU H 11 -8.612 -1.687 -7.220 1.00 0.00 H new ATOM 0 HD11 LEU H 11 -9.774 -2.111 -9.376 1.00 0.00 H new ATOM 0 HD12 LEU H 11 -10.363 -3.211 -8.106 1.00 0.00 H new ATOM 0 HD13 LEU H 11 -11.340 -1.804 -8.589 1.00 0.00 H new ATOM 0 HD21 LEU H 11 -9.013 0.187 -8.788 1.00 0.00 H new ATOM 0 HD22 LEU H 11 -10.584 0.500 -8.012 1.00 0.00 H new ATOM 0 HD23 LEU H 11 -9.076 0.740 -7.097 1.00 0.00 H new ATOM 2847 N VAL H 12 -9.943 -1.861 -3.046 1.00 0.01 N ATOM 2848 CA VAL H 12 -10.471 -2.286 -1.720 1.00 0.01 C ATOM 2849 C VAL H 12 -10.185 -1.204 -0.681 1.00 0.01 C ATOM 2850 O VAL H 12 -10.981 -0.951 0.200 1.00 0.01 O ATOM 2851 CB VAL H 12 -9.811 -3.603 -1.298 1.00 0.01 C ATOM 2852 CG1 VAL H 12 -10.303 -4.731 -2.204 1.00 0.01 C ATOM 2853 CG2 VAL H 12 -8.286 -3.490 -1.413 1.00 0.01 C ATOM 0 H VAL H 12 -9.191 -2.443 -3.416 1.00 0.01 H new ATOM 0 HA VAL H 12 -11.548 -2.435 -1.792 1.00 0.01 H new ATOM 0 HB VAL H 12 -10.076 -3.817 -0.263 1.00 0.01 H new ATOM 0 HG11 VAL H 12 -9.834 -5.669 -1.905 1.00 0.01 H new ATOM 0 HG12 VAL H 12 -11.386 -4.822 -2.116 1.00 0.01 H new ATOM 0 HG13 VAL H 12 -10.041 -4.508 -3.238 1.00 0.01 H new ATOM 0 HG21 VAL H 12 -7.828 -4.432 -1.111 1.00 0.01 H new ATOM 0 HG22 VAL H 12 -8.014 -3.269 -2.445 1.00 0.01 H new ATOM 0 HG23 VAL H 12 -7.931 -2.689 -0.765 1.00 0.01 H new ATOM 2863 N GLU H 13 -9.061 -0.555 -0.777 1.00 0.05 N ATOM 2864 CA GLU H 13 -8.741 0.516 0.208 1.00 0.05 C ATOM 2865 C GLU H 13 -9.844 1.573 0.169 1.00 0.05 C ATOM 2866 O GLU H 13 -10.303 2.048 1.188 1.00 0.05 O ATOM 2867 CB GLU H 13 -7.402 1.160 -0.152 1.00 0.05 C ATOM 2868 CG GLU H 13 -6.275 0.154 0.081 1.00 0.05 C ATOM 2869 CD GLU H 13 -5.200 0.784 0.969 1.00 0.05 C ATOM 2870 OE1 GLU H 13 -5.559 1.556 1.846 1.00 0.05 O ATOM 2871 OE2 GLU H 13 -4.036 0.485 0.758 1.00 0.05 O ATOM 0 H GLU H 13 -8.351 -0.718 -1.491 1.00 0.05 H new ATOM 0 HA GLU H 13 -8.675 0.088 1.208 1.00 0.05 H new ATOM 0 HB2 GLU H 13 -7.409 1.480 -1.194 1.00 0.05 H new ATOM 0 HB3 GLU H 13 -7.240 2.051 0.454 1.00 0.05 H new ATOM 0 HG2 GLU H 13 -6.669 -0.746 0.553 1.00 0.05 H new ATOM 0 HG3 GLU H 13 -5.842 -0.149 -0.872 1.00 0.05 H new ATOM 2878 N ALA H 14 -10.278 1.938 -1.004 1.00 0.01 N ATOM 2879 CA ALA H 14 -11.356 2.956 -1.112 1.00 0.01 C ATOM 2880 C ALA H 14 -12.692 2.325 -0.731 1.00 0.01 C ATOM 2881 O ALA H 14 -13.537 2.951 -0.127 1.00 0.01 O ATOM 2882 CB ALA H 14 -11.435 3.458 -2.552 1.00 0.01 C ATOM 0 H ALA H 14 -9.932 1.575 -1.892 1.00 0.01 H new ATOM 0 HA ALA H 14 -11.138 3.787 -0.442 1.00 0.01 H new ATOM 0 HB1 ALA H 14 -12.225 4.205 -2.634 1.00 0.01 H new ATOM 0 HB2 ALA H 14 -10.482 3.905 -2.834 1.00 0.01 H new ATOM 0 HB3 ALA H 14 -11.655 2.623 -3.217 1.00 0.01 H new ATOM 2888 N LEU H 15 -12.891 1.088 -1.093 1.00 0.00 N ATOM 2889 CA LEU H 15 -14.175 0.412 -0.769 1.00 0.00 C ATOM 2890 C LEU H 15 -14.431 0.443 0.737 1.00 0.00 C ATOM 2891 O LEU H 15 -15.377 1.053 1.191 1.00 0.00 O ATOM 2892 CB LEU H 15 -14.122 -1.042 -1.238 1.00 0.00 C ATOM 2893 CG LEU H 15 -14.390 -1.108 -2.742 1.00 0.00 C ATOM 2894 CD1 LEU H 15 -14.286 -2.556 -3.215 1.00 0.00 C ATOM 2895 CD2 LEU H 15 -15.794 -0.585 -3.033 1.00 0.00 C ATOM 0 H LEU H 15 -12.216 0.516 -1.601 1.00 0.00 H new ATOM 0 HA LEU H 15 -14.982 0.938 -1.278 1.00 0.00 H new ATOM 0 HB2 LEU H 15 -13.146 -1.471 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU H 15 -14.862 -1.635 -0.701 1.00 0.00 H new ATOM 0 HG LEU H 15 -13.655 -0.497 -3.267 1.00 0.00 H new ATOM 0 HD11 LEU H 15 -14.477 -2.603 -4.287 1.00 0.00 H new ATOM 0 HD12 LEU H 15 -13.285 -2.936 -3.008 1.00 0.00 H new ATOM 0 HD13 LEU H 15 -15.021 -3.164 -2.688 1.00 0.00 H new ATOM 0 HD21 LEU H 15 -15.985 -0.632 -4.105 1.00 0.00 H new ATOM 0 HD22 LEU H 15 -16.527 -1.197 -2.507 1.00 0.00 H new ATOM 0 HD23 LEU H 15 -15.875 0.448 -2.695 1.00 0.00 H new ATOM 2907 N TYR H 16 -13.620 -0.228 1.522 1.00 0.02 N ATOM 2908 CA TYR H 16 -13.877 -0.235 2.994 1.00 0.02 C ATOM 2909 C TYR H 16 -13.688 1.171 3.586 1.00 0.02 C ATOM 2910 O TYR H 16 -14.083 1.430 4.707 1.00 0.02 O ATOM 2911 CB TYR H 16 -13.012 -1.309 3.696 1.00 0.02 C ATOM 2912 CG TYR H 16 -11.612 -0.841 4.008 1.00 0.02 C ATOM 2913 CD1 TYR H 16 -10.946 0.131 3.159 1.00 0.02 C ATOM 2914 CD2 TYR H 16 -10.926 -1.394 5.164 1.00 0.02 C ATOM 2915 CE1 TYR H 16 -9.586 0.554 3.469 1.00 0.02 C ATOM 2916 CE2 TYR H 16 -9.573 -0.970 5.476 1.00 0.02 C ATOM 2917 CZ TYR H 16 -8.899 0.003 4.630 1.00 0.02 C ATOM 2918 OH TYR H 16 -7.610 0.402 4.926 1.00 0.02 O ATOM 0 H TYR H 16 -12.807 -0.761 1.213 1.00 0.02 H new ATOM 0 HA TYR H 16 -14.917 -0.509 3.172 1.00 0.02 H new ATOM 0 HB2 TYR H 16 -13.501 -1.610 4.622 1.00 0.02 H new ATOM 0 HB3 TYR H 16 -12.958 -2.194 3.061 1.00 0.02 H new ATOM 0 HD1 TYR H 16 -11.457 0.540 2.300 1.00 0.02 H new ATOM 0 HD2 TYR H 16 -11.423 -2.120 5.791 1.00 0.02 H new ATOM 0 HE1 TYR H 16 -9.088 1.275 2.838 1.00 0.02 H new ATOM 0 HE2 TYR H 16 -9.066 -1.378 6.338 1.00 0.02 H new ATOM 0 HH TYR H 16 -7.485 0.411 5.898 1.00 0.02 H new ATOM 2928 N LEU H 17 -13.145 2.096 2.833 1.00 0.10 N ATOM 2929 CA LEU H 17 -13.013 3.479 3.358 1.00 0.10 C ATOM 2930 C LEU H 17 -14.368 4.159 3.169 1.00 0.10 C ATOM 2931 O LEU H 17 -14.890 4.802 4.056 1.00 0.10 O ATOM 2932 CB LEU H 17 -11.940 4.237 2.580 1.00 0.10 C ATOM 2933 CG LEU H 17 -11.755 5.620 3.197 1.00 0.10 C ATOM 2934 CD1 LEU H 17 -10.597 5.583 4.194 1.00 0.10 C ATOM 2935 CD2 LEU H 17 -11.441 6.629 2.090 1.00 0.10 C ATOM 0 H LEU H 17 -12.792 1.950 1.887 1.00 0.10 H new ATOM 0 HA LEU H 17 -12.722 3.468 4.408 1.00 0.10 H new ATOM 0 HB2 LEU H 17 -11.000 3.686 2.604 1.00 0.10 H new ATOM 0 HB3 LEU H 17 -12.229 4.329 1.533 1.00 0.10 H new ATOM 0 HG LEU H 17 -12.669 5.915 3.713 1.00 0.10 H new ATOM 0 HD11 LEU H 17 -10.465 6.571 4.635 1.00 0.10 H new ATOM 0 HD12 LEU H 17 -10.817 4.861 4.981 1.00 0.10 H new ATOM 0 HD13 LEU H 17 -9.682 5.290 3.679 1.00 0.10 H new ATOM 0 HD21 LEU H 17 -11.308 7.619 2.527 1.00 0.10 H new ATOM 0 HD22 LEU H 17 -10.526 6.333 1.577 1.00 0.10 H new ATOM 0 HD23 LEU H 17 -12.265 6.655 1.377 1.00 0.10 H new ATOM 2947 N VAL H 18 -14.955 3.981 2.013 1.00 0.14 N ATOM 2948 CA VAL H 18 -16.294 4.574 1.747 1.00 0.14 C ATOM 2949 C VAL H 18 -17.318 3.848 2.615 1.00 0.14 C ATOM 2950 O VAL H 18 -18.199 4.445 3.197 1.00 0.14 O ATOM 2951 CB VAL H 18 -16.653 4.374 0.272 1.00 0.14 C ATOM 2952 CG1 VAL H 18 -18.051 4.933 0.000 1.00 0.14 C ATOM 2953 CG2 VAL H 18 -15.635 5.104 -0.605 1.00 0.14 C ATOM 0 H VAL H 18 -14.559 3.447 1.239 1.00 0.14 H new ATOM 0 HA VAL H 18 -16.288 5.640 1.976 1.00 0.14 H new ATOM 0 HB VAL H 18 -16.638 3.309 0.040 1.00 0.14 H new ATOM 0 HG11 VAL H 18 -18.302 4.789 -1.051 1.00 0.14 H new ATOM 0 HG12 VAL H 18 -18.779 4.412 0.622 1.00 0.14 H new ATOM 0 HG13 VAL H 18 -18.069 5.997 0.235 1.00 0.14 H new ATOM 0 HG21 VAL H 18 -15.891 4.961 -1.655 1.00 0.14 H new ATOM 0 HG22 VAL H 18 -15.649 6.168 -0.369 1.00 0.14 H new ATOM 0 HG23 VAL H 18 -14.639 4.703 -0.417 1.00 0.14 H new ATOM 2963 N CYS H 19 -17.198 2.556 2.704 1.00 0.05 N ATOM 2964 CA CYS H 19 -18.147 1.773 3.534 1.00 0.05 C ATOM 2965 C CYS H 19 -17.911 2.095 5.007 1.00 0.05 C ATOM 2966 O CYS H 19 -18.793 1.967 5.833 1.00 0.05 O ATOM 2967 CB CYS H 19 -17.908 0.283 3.297 1.00 0.05 C ATOM 2968 SG CYS H 19 -18.592 -0.184 1.689 1.00 0.05 S ATOM 0 H CYS H 19 -16.479 2.006 2.234 1.00 0.05 H new ATOM 0 HA CYS H 19 -19.172 2.028 3.264 1.00 0.05 H new ATOM 0 HB2 CYS H 19 -16.841 0.065 3.328 1.00 0.05 H new ATOM 0 HB3 CYS H 19 -18.376 -0.303 4.088 1.00 0.05 H new ATOM 2973 N GLY H 20 -16.722 2.509 5.346 1.00 0.15 N ATOM 2974 CA GLY H 20 -16.426 2.838 6.766 1.00 0.15 C ATOM 2975 C GLY H 20 -16.416 1.553 7.591 1.00 0.15 C ATOM 2976 O GLY H 20 -15.455 0.811 7.590 1.00 0.15 O ATOM 0 H GLY H 20 -15.943 2.633 4.700 1.00 0.15 H new ATOM 0 HA2 GLY H 20 -15.461 3.340 6.841 1.00 0.15 H new ATOM 0 HA3 GLY H 20 -17.175 3.528 7.155 1.00 0.15 H new ATOM 2980 N GLU H 21 -17.475 1.283 8.297 1.00 0.43 N ATOM 2981 CA GLU H 21 -17.520 0.047 9.120 1.00 0.43 C ATOM 2982 C GLU H 21 -18.236 -1.055 8.343 1.00 0.43 C ATOM 2983 O GLU H 21 -18.021 -2.226 8.574 1.00 0.43 O ATOM 2984 CB GLU H 21 -18.278 0.332 10.417 1.00 0.43 C ATOM 2985 CG GLU H 21 -17.530 1.402 11.218 1.00 0.43 C ATOM 2986 CD GLU H 21 -18.504 2.099 12.175 1.00 0.43 C ATOM 2987 OE1 GLU H 21 -18.859 1.490 13.174 1.00 0.43 O ATOM 2988 OE2 GLU H 21 -18.877 3.228 11.891 1.00 0.43 O ATOM 0 H GLU H 21 -18.312 1.865 8.340 1.00 0.43 H new ATOM 0 HA GLU H 21 -16.505 -0.275 9.353 1.00 0.43 H new ATOM 0 HB2 GLU H 21 -19.290 0.670 10.193 1.00 0.43 H new ATOM 0 HB3 GLU H 21 -18.370 -0.581 11.006 1.00 0.43 H new ATOM 0 HG2 GLU H 21 -16.715 0.947 11.780 1.00 0.43 H new ATOM 0 HG3 GLU H 21 -17.083 2.131 10.542 1.00 0.43 H new ATOM 2995 N ARG H 22 -19.086 -0.692 7.424 1.00 0.34 N ATOM 2996 CA ARG H 22 -19.812 -1.730 6.639 1.00 0.34 C ATOM 2997 C ARG H 22 -18.795 -2.605 5.904 1.00 0.34 C ATOM 2998 O ARG H 22 -17.664 -2.212 5.693 1.00 0.34 O ATOM 2999 CB ARG H 22 -20.743 -1.056 5.624 1.00 0.34 C ATOM 3000 CG ARG H 22 -21.506 0.085 6.304 1.00 0.34 C ATOM 3001 CD ARG H 22 -23.006 -0.072 6.048 1.00 0.34 C ATOM 3002 NE ARG H 22 -23.449 0.954 5.063 1.00 0.34 N ATOM 3003 CZ ARG H 22 -23.729 0.602 3.838 1.00 0.34 C ATOM 3004 NH1 ARG H 22 -24.535 -0.404 3.615 1.00 0.34 N ATOM 3005 NH2 ARG H 22 -23.203 1.253 2.834 1.00 0.34 N ATOM 0 H ARG H 22 -19.309 0.274 7.183 1.00 0.34 H new ATOM 0 HA ARG H 22 -20.408 -2.347 7.312 1.00 0.34 H new ATOM 0 HB2 ARG H 22 -20.164 -0.670 4.785 1.00 0.34 H new ATOM 0 HB3 ARG H 22 -21.445 -1.785 5.219 1.00 0.34 H new ATOM 0 HG2 ARG H 22 -21.308 0.080 7.376 1.00 0.34 H new ATOM 0 HG3 ARG H 22 -21.161 1.045 5.921 1.00 0.34 H new ATOM 0 HD2 ARG H 22 -23.219 -1.072 5.669 1.00 0.34 H new ATOM 0 HD3 ARG H 22 -23.559 0.040 6.980 1.00 0.34 H new ATOM 0 HE ARG H 22 -23.533 1.930 5.346 1.00 0.34 H new ATOM 0 HH11 ARG H 22 -24.944 -0.913 4.398 1.00 0.34 H new ATOM 0 HH12 ARG H 22 -24.754 -0.679 2.658 1.00 0.34 H new ATOM 0 HH21 ARG H 22 -22.573 2.036 3.008 1.00 0.34 H new ATOM 0 HH22 ARG H 22 -23.422 0.978 1.877 1.00 0.34 H new ATOM 3019 N GLY H 23 -19.182 -3.786 5.515 1.00 0.01 N ATOM 3020 CA GLY H 23 -18.230 -4.680 4.796 1.00 0.01 C ATOM 3021 C GLY H 23 -18.487 -4.595 3.295 1.00 0.01 C ATOM 3022 O GLY H 23 -19.339 -3.859 2.845 1.00 0.01 O ATOM 0 H GLY H 23 -20.115 -4.172 5.663 1.00 0.01 H new ATOM 0 HA2 GLY H 23 -17.203 -4.388 5.017 1.00 0.01 H new ATOM 0 HA3 GLY H 23 -18.350 -5.708 5.139 1.00 0.01 H new ATOM 3026 N PHE H 24 -17.757 -5.342 2.515 1.00 0.01 N ATOM 3027 CA PHE H 24 -17.966 -5.298 1.043 1.00 0.01 C ATOM 3028 C PHE H 24 -17.485 -6.609 0.418 1.00 0.01 C ATOM 3029 O PHE H 24 -16.526 -7.205 0.862 1.00 0.01 O ATOM 3030 CB PHE H 24 -17.202 -4.105 0.446 1.00 0.01 C ATOM 3031 CG PHE H 24 -15.710 -4.296 0.601 1.00 0.01 C ATOM 3032 CD1 PHE H 24 -15.077 -4.080 1.890 1.00 0.01 C ATOM 3033 CD2 PHE H 24 -14.911 -4.699 -0.545 1.00 0.01 C ATOM 3034 CE1 PHE H 24 -13.641 -4.267 2.034 1.00 0.01 C ATOM 3035 CE2 PHE H 24 -13.475 -4.886 -0.400 1.00 0.01 C ATOM 3036 CZ PHE H 24 -12.840 -4.668 0.889 1.00 0.01 C ATOM 0 H PHE H 24 -17.027 -5.979 2.833 1.00 0.01 H new ATOM 0 HA PHE H 24 -19.027 -5.175 0.828 1.00 0.01 H new ATOM 0 HB2 PHE H 24 -17.452 -3.997 -0.609 1.00 0.01 H new ATOM 0 HB3 PHE H 24 -17.510 -3.184 0.942 1.00 0.01 H new ATOM 0 HD1 PHE H 24 -15.671 -3.781 2.741 1.00 0.01 H new ATOM 0 HD2 PHE H 24 -15.383 -4.859 -1.503 1.00 0.01 H new ATOM 0 HE1 PHE H 24 -13.170 -4.108 2.993 1.00 0.01 H new ATOM 0 HE2 PHE H 24 -12.881 -5.187 -1.250 1.00 0.01 H new ATOM 0 HZ PHE H 24 -11.774 -4.804 0.996 1.00 0.01 H new ATOM 3046 N PHE H 25 -18.135 -7.049 -0.615 1.00 0.32 N ATOM 3047 CA PHE H 25 -17.701 -8.313 -1.272 1.00 0.32 C ATOM 3048 C PHE H 25 -16.830 -7.974 -2.479 1.00 0.32 C ATOM 3049 O PHE H 25 -17.253 -7.307 -3.398 1.00 0.32 O ATOM 3050 CB PHE H 25 -18.915 -9.139 -1.717 1.00 0.32 C ATOM 3051 CG PHE H 25 -19.953 -8.245 -2.343 1.00 0.32 C ATOM 3052 CD1 PHE H 25 -19.889 -7.935 -3.762 1.00 0.32 C ATOM 3053 CD2 PHE H 25 -21.015 -7.688 -1.521 1.00 0.32 C ATOM 3054 CE1 PHE H 25 -20.890 -7.066 -4.361 1.00 0.32 C ATOM 3055 CE2 PHE H 25 -22.017 -6.821 -2.119 1.00 0.32 C ATOM 3056 CZ PHE H 25 -21.956 -6.508 -3.540 1.00 0.32 C ATOM 0 H PHE H 25 -18.945 -6.593 -1.035 1.00 0.32 H new ATOM 0 HA PHE H 25 -17.130 -8.907 -0.559 1.00 0.32 H new ATOM 0 HB2 PHE H 25 -18.603 -9.901 -2.431 1.00 0.32 H new ATOM 0 HB3 PHE H 25 -19.343 -9.660 -0.861 1.00 0.32 H new ATOM 0 HD1 PHE H 25 -19.099 -8.349 -4.371 1.00 0.32 H new ATOM 0 HD2 PHE H 25 -21.059 -7.918 -0.467 1.00 0.32 H new ATOM 0 HE1 PHE H 25 -20.843 -6.834 -5.415 1.00 0.32 H new ATOM 0 HE2 PHE H 25 -22.807 -6.409 -1.509 1.00 0.32 H new ATOM 0 HZ PHE H 25 -22.700 -5.863 -3.984 1.00 0.32 H new ATOM 3066 N TYR H 26 -15.607 -8.422 -2.471 1.00 0.00 N ATOM 3067 CA TYR H 26 -14.692 -8.125 -3.603 1.00 0.00 C ATOM 3068 C TYR H 26 -14.463 -9.393 -4.427 1.00 0.00 C ATOM 3069 O TYR H 26 -13.861 -10.342 -3.971 1.00 0.00 O ATOM 3070 CB TYR H 26 -13.360 -7.631 -3.047 1.00 0.00 C ATOM 3071 CG TYR H 26 -12.485 -7.137 -4.170 1.00 0.00 C ATOM 3072 CD1 TYR H 26 -12.622 -5.774 -4.655 1.00 0.00 C ATOM 3073 CD2 TYR H 26 -11.498 -8.025 -4.765 1.00 0.00 C ATOM 3074 CE1 TYR H 26 -11.772 -5.296 -5.734 1.00 0.00 C ATOM 3075 CE2 TYR H 26 -10.649 -7.547 -5.845 1.00 0.00 C ATOM 3076 CZ TYR H 26 -10.786 -6.182 -6.329 1.00 0.00 C ATOM 3077 OH TYR H 26 -9.980 -5.728 -7.351 1.00 0.00 O ATOM 0 H TYR H 26 -15.201 -8.985 -1.724 1.00 0.00 H new ATOM 0 HA TYR H 26 -15.134 -7.360 -4.241 1.00 0.00 H new ATOM 0 HB2 TYR H 26 -13.531 -6.829 -2.329 1.00 0.00 H new ATOM 0 HB3 TYR H 26 -12.858 -8.437 -2.512 1.00 0.00 H new ATOM 0 HD1 TYR H 26 -13.356 -5.115 -4.214 1.00 0.00 H new ATOM 0 HD2 TYR H 26 -11.396 -9.038 -4.405 1.00 0.00 H new ATOM 0 HE1 TYR H 26 -11.874 -4.282 -6.093 1.00 0.00 H new ATOM 0 HE2 TYR H 26 -9.917 -8.206 -6.288 1.00 0.00 H new ATOM 0 HH TYR H 26 -9.744 -6.476 -7.938 1.00 0.00 H new ATOM 3087 N THR H 27 -14.935 -9.413 -5.638 1.00 0.21 N ATOM 3088 CA THR H 27 -14.742 -10.614 -6.493 1.00 0.21 C ATOM 3089 C THR H 27 -14.048 -10.190 -7.800 1.00 0.21 C ATOM 3090 O THR H 27 -14.702 -9.663 -8.674 1.00 0.21 O ATOM 3091 CB THR H 27 -16.101 -11.232 -6.813 1.00 0.21 C ATOM 3092 OG1 THR H 27 -16.793 -11.488 -5.601 1.00 0.21 O ATOM 3093 CG2 THR H 27 -15.900 -12.539 -7.576 1.00 0.21 C ATOM 0 H THR H 27 -15.448 -8.647 -6.075 1.00 0.21 H new ATOM 0 HA THR H 27 -14.127 -11.347 -5.971 1.00 0.21 H new ATOM 0 HB THR H 27 -16.682 -10.544 -7.427 1.00 0.21 H new ATOM 0 HG1 THR H 27 -17.667 -11.883 -5.801 1.00 0.21 H new ATOM 0 HG21 THR H 27 -16.870 -12.980 -7.804 1.00 0.21 H new ATOM 0 HG22 THR H 27 -15.365 -12.340 -8.504 1.00 0.21 H new ATOM 0 HG23 THR H 27 -15.321 -13.232 -6.965 1.00 0.21 H new ATOM 3101 N PRO H 28 -12.743 -10.412 -7.917 1.00 0.04 N ATOM 3102 CA PRO H 28 -12.007 -10.019 -9.129 1.00 0.04 C ATOM 3103 C PRO H 28 -12.264 -11.014 -10.264 1.00 0.04 C ATOM 3104 O PRO H 28 -12.023 -10.721 -11.420 1.00 0.04 O ATOM 3105 CB PRO H 28 -10.540 -10.042 -8.691 1.00 0.04 C ATOM 3106 CG PRO H 28 -10.462 -10.967 -7.457 1.00 0.04 C ATOM 3107 CD PRO H 28 -11.889 -11.068 -6.892 1.00 0.04 C ATOM 0 HA PRO H 28 -12.310 -9.045 -9.514 1.00 0.04 H new ATOM 0 HB2 PRO H 28 -9.902 -10.412 -9.493 1.00 0.04 H new ATOM 0 HB3 PRO H 28 -10.193 -9.038 -8.445 1.00 0.04 H new ATOM 0 HG2 PRO H 28 -10.084 -11.951 -7.734 1.00 0.04 H new ATOM 0 HG3 PRO H 28 -9.778 -10.561 -6.711 1.00 0.04 H new ATOM 0 HD2 PRO H 28 -12.182 -12.106 -6.737 1.00 0.04 H new ATOM 0 HD3 PRO H 28 -11.970 -10.567 -5.928 1.00 0.04 H new ATOM 3115 N LYS H 29 -12.756 -12.182 -9.955 1.00 0.42 N ATOM 3116 CA LYS H 29 -13.029 -13.173 -11.031 1.00 0.42 C ATOM 3117 C LYS H 29 -14.212 -12.684 -11.866 1.00 0.42 C ATOM 3118 O LYS H 29 -15.317 -13.185 -11.753 1.00 0.42 O ATOM 3119 CB LYS H 29 -13.365 -14.529 -10.407 1.00 0.42 C ATOM 3120 CG LYS H 29 -12.690 -15.641 -11.215 1.00 0.42 C ATOM 3121 CD LYS H 29 -13.473 -15.882 -12.508 1.00 0.42 C ATOM 3122 CE LYS H 29 -14.788 -16.600 -12.186 1.00 0.42 C ATOM 3123 NZ LYS H 29 -14.835 -17.905 -12.909 1.00 0.42 N ATOM 0 H LYS H 29 -12.979 -12.491 -9.009 1.00 0.42 H new ATOM 0 HA LYS H 29 -12.149 -13.281 -11.666 1.00 0.42 H new ATOM 0 HB2 LYS H 29 -13.026 -14.559 -9.372 1.00 0.42 H new ATOM 0 HB3 LYS H 29 -14.445 -14.678 -10.393 1.00 0.42 H new ATOM 0 HG2 LYS H 29 -11.662 -15.363 -11.447 1.00 0.42 H new ATOM 0 HG3 LYS H 29 -12.648 -16.558 -10.627 1.00 0.42 H new ATOM 0 HD2 LYS H 29 -13.677 -14.933 -13.004 1.00 0.42 H new ATOM 0 HD3 LYS H 29 -12.879 -16.481 -13.198 1.00 0.42 H new ATOM 0 HE2 LYS H 29 -14.871 -16.765 -11.112 1.00 0.42 H new ATOM 0 HE3 LYS H 29 -15.635 -15.979 -12.480 1.00 0.42 H new ATOM 0 HZ1 LYS H 29 -15.728 -18.391 -12.690 1.00 0.42 H new ATOM 0 HZ2 LYS H 29 -14.775 -17.737 -13.934 1.00 0.42 H new ATOM 0 HZ3 LYS H 29 -14.035 -18.498 -12.608 1.00 0.42 H new ATOM 3137 N THR H 30 -13.995 -11.704 -12.702 1.00 0.41 N ATOM 3138 CA THR H 30 -15.111 -11.181 -13.542 1.00 0.41 C ATOM 3139 C THR H 30 -15.469 -12.216 -14.617 1.00 0.41 C ATOM 3140 O THR H 30 -14.734 -12.313 -15.589 1.00 0.41 O ATOM 3141 CB THR H 30 -14.679 -9.871 -14.211 1.00 0.41 C ATOM 3142 OG1 THR H 30 -14.200 -8.970 -13.219 1.00 0.41 O ATOM 3143 CG2 THR H 30 -15.874 -9.246 -14.937 1.00 0.41 C ATOM 3144 OXT THR H 30 -16.470 -12.897 -14.447 1.00 0.41 O ATOM 0 H THR H 30 -13.095 -11.244 -12.839 1.00 0.41 H new ATOM 0 HA THR H 30 -15.982 -10.994 -12.914 1.00 0.41 H new ATOM 0 HB THR H 30 -13.887 -10.075 -14.931 1.00 0.41 H new ATOM 0 HG1 THR H 30 -13.922 -8.132 -13.645 1.00 0.41 H new ATOM 0 HG21 THR H 30 -15.565 -8.315 -15.412 1.00 0.41 H new ATOM 0 HG22 THR H 30 -16.240 -9.937 -15.697 1.00 0.41 H new ATOM 0 HG23 THR H 30 -16.669 -9.041 -14.220 1.00 0.41 H new TER 3152 THR H 30 ATOM 3153 N GLY I 1 16.818 -6.531 13.980 1.00 0.31 N ATOM 3154 CA GLY I 1 17.908 -6.370 12.972 1.00 0.31 C ATOM 3155 C GLY I 1 17.586 -5.184 12.060 1.00 0.31 C ATOM 3156 O GLY I 1 18.212 -4.143 12.132 1.00 0.31 O ATOM 0 H1 GLY I 1 17.184 -7.041 14.809 1.00 0.31 H new ATOM 0 H2 GLY I 1 16.476 -5.594 14.274 1.00 0.31 H new ATOM 0 H3 GLY I 1 16.034 -7.070 13.560 1.00 0.31 H new ATOM 0 HA2 GLY I 1 18.862 -6.208 13.474 1.00 0.31 H new ATOM 0 HA3 GLY I 1 18.009 -7.280 12.381 1.00 0.31 H new ATOM 3162 N ILE I 2 16.612 -5.330 11.204 1.00 0.03 N ATOM 3163 CA ILE I 2 16.249 -4.210 10.294 1.00 0.03 C ATOM 3164 C ILE I 2 14.800 -3.803 10.555 1.00 0.03 C ATOM 3165 O ILE I 2 14.452 -2.640 10.515 1.00 0.03 O ATOM 3166 CB ILE I 2 16.397 -4.662 8.840 1.00 0.03 C ATOM 3167 CG1 ILE I 2 16.009 -3.511 7.908 1.00 0.03 C ATOM 3168 CG2 ILE I 2 15.477 -5.855 8.584 1.00 0.03 C ATOM 3169 CD1 ILE I 2 16.356 -3.884 6.466 1.00 0.03 C ATOM 0 H ILE I 2 16.053 -6.176 11.096 1.00 0.03 H new ATOM 0 HA ILE I 2 16.909 -3.362 10.476 1.00 0.03 H new ATOM 0 HB ILE I 2 17.431 -4.951 8.651 1.00 0.03 H new ATOM 0 HG12 ILE I 2 14.943 -3.302 7.994 1.00 0.03 H new ATOM 0 HG13 ILE I 2 16.536 -2.602 8.197 1.00 0.03 H new ATOM 0 HG21 ILE I 2 15.581 -6.179 7.548 1.00 0.03 H new ATOM 0 HG22 ILE I 2 15.750 -6.674 9.249 1.00 0.03 H new ATOM 0 HG23 ILE I 2 14.443 -5.564 8.771 1.00 0.03 H new ATOM 0 HD11 ILE I 2 16.080 -3.065 5.802 1.00 0.03 H new ATOM 0 HD12 ILE I 2 17.427 -4.071 6.386 1.00 0.03 H new ATOM 0 HD13 ILE I 2 15.809 -4.782 6.181 1.00 0.03 H new ATOM 3181 N VAL I 3 13.954 -4.756 10.821 1.00 0.00 N ATOM 3182 CA VAL I 3 12.527 -4.432 11.086 1.00 0.00 C ATOM 3183 C VAL I 3 12.399 -3.778 12.461 1.00 0.00 C ATOM 3184 O VAL I 3 11.900 -2.680 12.598 1.00 0.00 O ATOM 3185 CB VAL I 3 11.708 -5.720 11.064 1.00 0.00 C ATOM 3186 CG1 VAL I 3 10.221 -5.374 11.129 1.00 0.00 C ATOM 3187 CG2 VAL I 3 11.999 -6.486 9.773 1.00 0.00 C ATOM 0 H VAL I 3 14.190 -5.747 10.866 1.00 0.00 H new ATOM 0 HA VAL I 3 12.160 -3.747 10.321 1.00 0.00 H new ATOM 0 HB VAL I 3 11.976 -6.339 11.920 1.00 0.00 H new ATOM 0 HG11 VAL I 3 9.633 -6.292 11.113 1.00 0.00 H new ATOM 0 HG12 VAL I 3 10.015 -4.826 12.049 1.00 0.00 H new ATOM 0 HG13 VAL I 3 9.953 -4.757 10.271 1.00 0.00 H new ATOM 0 HG21 VAL I 3 11.415 -7.406 9.756 1.00 0.00 H new ATOM 0 HG22 VAL I 3 11.730 -5.869 8.915 1.00 0.00 H new ATOM 0 HG23 VAL I 3 13.060 -6.729 9.726 1.00 0.00 H new ATOM 3197 N GLU I 4 12.846 -4.450 13.477 1.00 0.39 N ATOM 3198 CA GLU I 4 12.756 -3.886 14.851 1.00 0.39 C ATOM 3199 C GLU I 4 13.488 -2.545 14.910 1.00 0.39 C ATOM 3200 O GLU I 4 13.216 -1.713 15.751 1.00 0.39 O ATOM 3201 CB GLU I 4 13.421 -4.861 15.824 1.00 0.39 C ATOM 3202 CG GLU I 4 12.716 -4.804 17.178 1.00 0.39 C ATOM 3203 CD GLU I 4 13.316 -5.868 18.101 1.00 0.39 C ATOM 3204 OE1 GLU I 4 13.059 -7.040 17.866 1.00 0.39 O ATOM 3205 OE2 GLU I 4 14.026 -5.493 19.023 1.00 0.39 O ATOM 0 H GLU I 4 13.274 -5.374 13.417 1.00 0.39 H new ATOM 0 HA GLU I 4 11.710 -3.736 15.118 1.00 0.39 H new ATOM 0 HB2 GLU I 4 13.378 -5.874 15.424 1.00 0.39 H new ATOM 0 HB3 GLU I 4 14.475 -4.609 15.942 1.00 0.39 H new ATOM 0 HG2 GLU I 4 12.831 -3.814 17.620 1.00 0.39 H new ATOM 0 HG3 GLU I 4 11.647 -4.975 17.053 1.00 0.39 H new ATOM 3212 N GLN I 5 14.430 -2.339 14.042 1.00 0.23 N ATOM 3213 CA GLN I 5 15.203 -1.068 14.065 1.00 0.23 C ATOM 3214 C GLN I 5 14.456 0.034 13.307 1.00 0.23 C ATOM 3215 O GLN I 5 14.494 1.186 13.686 1.00 0.23 O ATOM 3216 CB GLN I 5 16.561 -1.317 13.402 1.00 0.23 C ATOM 3217 CG GLN I 5 17.380 -0.026 13.379 1.00 0.23 C ATOM 3218 CD GLN I 5 18.583 -0.214 12.453 1.00 0.23 C ATOM 3219 OE1 GLN I 5 19.228 -1.242 12.481 1.00 0.23 O ATOM 3220 NE2 GLN I 5 18.915 0.742 11.627 1.00 0.23 N ATOM 0 H GLN I 5 14.702 -2.998 13.312 1.00 0.23 H new ATOM 0 HA GLN I 5 15.335 -0.742 15.097 1.00 0.23 H new ATOM 0 HB2 GLN I 5 17.103 -2.091 13.945 1.00 0.23 H new ATOM 0 HB3 GLN I 5 16.416 -1.683 12.386 1.00 0.23 H new ATOM 0 HG2 GLN I 5 16.764 0.804 13.032 1.00 0.23 H new ATOM 0 HG3 GLN I 5 17.715 0.225 14.385 1.00 0.23 H new ATOM 0 HE21 GLN I 5 18.374 1.606 11.603 1.00 0.23 H new ATOM 0 HE22 GLN I 5 19.716 0.624 11.006 1.00 0.23 H new ATOM 3229 N CYS I 6 13.802 -0.298 12.228 1.00 0.00 N ATOM 3230 CA CYS I 6 13.092 0.753 11.445 1.00 0.00 C ATOM 3231 C CYS I 6 11.610 0.806 11.810 1.00 0.00 C ATOM 3232 O CYS I 6 10.947 1.793 11.559 1.00 0.00 O ATOM 3233 CB CYS I 6 13.240 0.456 9.953 1.00 0.00 C ATOM 3234 SG CYS I 6 14.996 0.286 9.543 1.00 0.00 S ATOM 0 H CYS I 6 13.728 -1.245 11.856 1.00 0.00 H new ATOM 0 HA CYS I 6 13.536 1.720 11.682 1.00 0.00 H new ATOM 0 HB2 CYS I 6 12.706 -0.460 9.699 1.00 0.00 H new ATOM 0 HB3 CYS I 6 12.794 1.259 9.365 1.00 0.00 H new ATOM 3239 N CYS I 7 11.077 -0.230 12.399 1.00 0.08 N ATOM 3240 CA CYS I 7 9.633 -0.197 12.772 1.00 0.08 C ATOM 3241 C CYS I 7 9.486 0.279 14.224 1.00 0.08 C ATOM 3242 O CYS I 7 8.478 0.048 14.861 1.00 0.08 O ATOM 3243 CB CYS I 7 9.021 -1.593 12.615 1.00 0.08 C ATOM 3244 SG CYS I 7 7.214 -1.462 12.643 1.00 0.08 S ATOM 0 H CYS I 7 11.572 -1.090 12.636 1.00 0.08 H new ATOM 0 HA CYS I 7 9.108 0.495 12.113 1.00 0.08 H new ATOM 0 HB2 CYS I 7 9.350 -2.043 11.678 1.00 0.08 H new ATOM 0 HB3 CYS I 7 9.362 -2.245 13.419 1.00 0.08 H new ATOM 3249 N THR I 8 10.477 0.954 14.750 1.00 0.27 N ATOM 3250 CA THR I 8 10.384 1.453 16.153 1.00 0.27 C ATOM 3251 C THR I 8 10.487 2.976 16.146 1.00 0.27 C ATOM 3252 O THR I 8 9.745 3.662 16.821 1.00 0.27 O ATOM 3253 CB THR I 8 11.529 0.879 16.986 1.00 0.27 C ATOM 3254 OG1 THR I 8 12.748 1.021 16.271 1.00 0.27 O ATOM 3255 CG2 THR I 8 11.270 -0.601 17.269 1.00 0.27 C ATOM 0 H THR I 8 11.346 1.180 14.267 1.00 0.27 H new ATOM 0 HA THR I 8 9.433 1.142 16.585 1.00 0.27 H new ATOM 0 HB THR I 8 11.595 1.418 17.931 1.00 0.27 H new ATOM 0 HG1 THR I 8 13.073 0.137 16.000 1.00 0.27 H new ATOM 0 HG21 THR I 8 12.089 -1.007 17.863 1.00 0.27 H new ATOM 0 HG22 THR I 8 10.335 -0.708 17.819 1.00 0.27 H new ATOM 0 HG23 THR I 8 11.201 -1.145 16.327 1.00 0.27 H new ATOM 3263 N SER I 9 11.396 3.510 15.380 1.00 0.32 N ATOM 3264 CA SER I 9 11.542 4.991 15.321 1.00 0.32 C ATOM 3265 C SER I 9 11.894 5.419 13.894 1.00 0.32 C ATOM 3266 O SER I 9 12.446 6.478 13.678 1.00 0.32 O ATOM 3267 CB SER I 9 12.653 5.431 16.272 1.00 0.32 C ATOM 3268 OG SER I 9 12.740 4.508 17.348 1.00 0.32 O ATOM 0 H SER I 9 12.044 2.986 14.792 1.00 0.32 H new ATOM 0 HA SER I 9 10.602 5.458 15.616 1.00 0.32 H new ATOM 0 HB2 SER I 9 13.604 5.480 15.741 1.00 0.32 H new ATOM 0 HB3 SER I 9 12.448 6.432 16.652 1.00 0.32 H new ATOM 0 HG SER I 9 13.453 4.786 17.960 1.00 0.32 H new ATOM 3274 N ILE I 10 11.569 4.606 12.921 1.00 0.15 N ATOM 3275 CA ILE I 10 11.869 4.959 11.503 1.00 0.15 C ATOM 3276 C ILE I 10 13.377 5.110 11.292 1.00 0.15 C ATOM 3277 O ILE I 10 14.032 5.911 11.926 1.00 0.15 O ATOM 3278 CB ILE I 10 11.157 6.267 11.144 1.00 0.15 C ATOM 3279 CG1 ILE I 10 9.648 6.076 11.309 1.00 0.15 C ATOM 3280 CG2 ILE I 10 11.467 6.643 9.693 1.00 0.15 C ATOM 3281 CD1 ILE I 10 8.951 7.436 11.255 1.00 0.15 C ATOM 0 H ILE I 10 11.105 3.707 13.051 1.00 0.15 H new ATOM 0 HA ILE I 10 11.511 4.158 10.856 1.00 0.15 H new ATOM 0 HB ILE I 10 11.504 7.064 11.802 1.00 0.15 H new ATOM 0 HG12 ILE I 10 9.265 5.428 10.521 1.00 0.15 H new ATOM 0 HG13 ILE I 10 9.435 5.584 12.258 1.00 0.15 H new ATOM 0 HG21 ILE I 10 10.959 7.574 9.442 1.00 0.15 H new ATOM 0 HG22 ILE I 10 12.543 6.773 9.573 1.00 0.15 H new ATOM 0 HG23 ILE I 10 11.121 5.850 9.030 1.00 0.15 H new ATOM 0 HD11 ILE I 10 7.876 7.299 11.373 1.00 0.15 H new ATOM 0 HD12 ILE I 10 9.326 8.069 12.059 1.00 0.15 H new ATOM 0 HD13 ILE I 10 9.153 7.911 10.295 1.00 0.15 H new ATOM 3293 N CYS I 11 13.926 4.348 10.384 1.00 0.03 N ATOM 3294 CA CYS I 11 15.383 4.444 10.102 1.00 0.03 C ATOM 3295 C CYS I 11 15.638 5.648 9.199 1.00 0.03 C ATOM 3296 O CYS I 11 14.756 6.110 8.503 1.00 0.03 O ATOM 3297 CB CYS I 11 15.849 3.179 9.381 1.00 0.03 C ATOM 3298 SG CYS I 11 15.896 1.794 10.542 1.00 0.03 S ATOM 0 H CYS I 11 13.423 3.660 9.824 1.00 0.03 H new ATOM 0 HA CYS I 11 15.928 4.555 11.039 1.00 0.03 H new ATOM 0 HB2 CYS I 11 15.175 2.951 8.556 1.00 0.03 H new ATOM 0 HB3 CYS I 11 16.838 3.338 8.950 1.00 0.03 H new ATOM 3303 N SER I 12 16.838 6.157 9.196 1.00 0.24 N ATOM 3304 CA SER I 12 17.147 7.326 8.326 1.00 0.24 C ATOM 3305 C SER I 12 17.587 6.825 6.950 1.00 0.24 C ATOM 3306 O SER I 12 17.954 5.677 6.783 1.00 0.24 O ATOM 3307 CB SER I 12 18.271 8.148 8.954 1.00 0.24 C ATOM 3308 OG SER I 12 19.324 7.276 9.349 1.00 0.24 O ATOM 0 H SER I 12 17.618 5.815 9.758 1.00 0.24 H new ATOM 0 HA SER I 12 16.260 7.950 8.222 1.00 0.24 H new ATOM 0 HB2 SER I 12 18.641 8.885 8.241 1.00 0.24 H new ATOM 0 HB3 SER I 12 17.896 8.699 9.816 1.00 0.24 H new ATOM 0 HG SER I 12 19.213 7.036 10.293 1.00 0.24 H new ATOM 3314 N LEU I 13 17.547 7.674 5.962 1.00 0.21 N ATOM 3315 CA LEU I 13 17.954 7.251 4.590 1.00 0.21 C ATOM 3316 C LEU I 13 19.343 6.604 4.623 1.00 0.21 C ATOM 3317 O LEU I 13 19.574 5.583 4.006 1.00 0.21 O ATOM 3318 CB LEU I 13 17.989 8.477 3.680 1.00 0.21 C ATOM 3319 CG LEU I 13 18.024 8.026 2.221 1.00 0.21 C ATOM 3320 CD1 LEU I 13 17.226 9.012 1.364 1.00 0.21 C ATOM 3321 CD2 LEU I 13 19.474 7.987 1.735 1.00 0.21 C ATOM 0 H LEU I 13 17.249 8.646 6.044 1.00 0.21 H new ATOM 0 HA LEU I 13 17.235 6.524 4.212 1.00 0.21 H new ATOM 0 HB2 LEU I 13 17.113 9.101 3.858 1.00 0.21 H new ATOM 0 HB3 LEU I 13 18.865 9.086 3.905 1.00 0.21 H new ATOM 0 HG LEU I 13 17.585 7.032 2.137 1.00 0.21 H new ATOM 0 HD11 LEU I 13 17.250 8.691 0.323 1.00 0.21 H new ATOM 0 HD12 LEU I 13 16.193 9.042 1.711 1.00 0.21 H new ATOM 0 HD13 LEU I 13 17.666 10.006 1.448 1.00 0.21 H new ATOM 0 HD21 LEU I 13 19.500 7.665 0.694 1.00 0.21 H new ATOM 0 HD22 LEU I 13 19.913 8.981 1.819 1.00 0.21 H new ATOM 0 HD23 LEU I 13 20.044 7.287 2.346 1.00 0.21 H new ATOM 3333 N TYR I 14 20.272 7.189 5.326 1.00 0.54 N ATOM 3334 CA TYR I 14 21.643 6.606 5.382 1.00 0.54 C ATOM 3335 C TYR I 14 21.609 5.259 6.105 1.00 0.54 C ATOM 3336 O TYR I 14 22.439 4.403 5.877 1.00 0.54 O ATOM 3337 CB TYR I 14 22.574 7.564 6.128 1.00 0.54 C ATOM 3338 CG TYR I 14 22.688 8.850 5.344 1.00 0.54 C ATOM 3339 CD1 TYR I 14 23.398 8.864 4.076 1.00 0.54 C ATOM 3340 CD2 TYR I 14 22.079 10.069 5.852 1.00 0.54 C ATOM 3341 CE1 TYR I 14 23.498 10.099 3.313 1.00 0.54 C ATOM 3342 CE2 TYR I 14 22.181 11.305 5.091 1.00 0.54 C ATOM 3343 CZ TYR I 14 22.890 11.318 3.820 1.00 0.54 C ATOM 3344 OH TYR I 14 22.982 12.490 3.094 1.00 0.54 O ATOM 0 H TYR I 14 20.142 8.046 5.864 1.00 0.54 H new ATOM 0 HA TYR I 14 22.010 6.456 4.367 1.00 0.54 H new ATOM 0 HB2 TYR I 14 22.186 7.765 7.126 1.00 0.54 H new ATOM 0 HB3 TYR I 14 23.558 7.111 6.254 1.00 0.54 H new ATOM 0 HD1 TYR I 14 23.851 7.958 3.700 1.00 0.54 H new ATOM 0 HD2 TYR I 14 21.551 10.057 6.794 1.00 0.54 H new ATOM 0 HE1 TYR I 14 24.024 10.110 2.370 1.00 0.54 H new ATOM 0 HE2 TYR I 14 21.731 12.211 5.469 1.00 0.54 H new ATOM 0 HH TYR I 14 22.521 13.209 3.574 1.00 0.54 H new ATOM 3354 N GLN I 15 20.663 5.065 6.979 1.00 0.24 N ATOM 3355 CA GLN I 15 20.588 3.771 7.714 1.00 0.24 C ATOM 3356 C GLN I 15 20.016 2.695 6.794 1.00 0.24 C ATOM 3357 O GLN I 15 20.381 1.539 6.869 1.00 0.24 O ATOM 3358 CB GLN I 15 19.671 3.929 8.925 1.00 0.24 C ATOM 3359 CG GLN I 15 20.495 4.345 10.140 1.00 0.24 C ATOM 3360 CD GLN I 15 19.553 4.680 11.295 1.00 0.24 C ATOM 3361 OE1 GLN I 15 18.980 5.752 11.335 1.00 0.24 O ATOM 3362 NE2 GLN I 15 19.363 3.803 12.243 1.00 0.24 N ATOM 0 H GLN I 15 19.940 5.744 7.217 1.00 0.24 H new ATOM 0 HA GLN I 15 21.587 3.482 8.041 1.00 0.24 H new ATOM 0 HB2 GLN I 15 18.905 4.677 8.719 1.00 0.24 H new ATOM 0 HB3 GLN I 15 19.154 2.991 9.127 1.00 0.24 H new ATOM 0 HG2 GLN I 15 21.171 3.540 10.428 1.00 0.24 H new ATOM 0 HG3 GLN I 15 21.113 5.209 9.897 1.00 0.24 H new ATOM 0 HE21 GLN I 15 19.843 2.904 12.210 1.00 0.24 H new ATOM 0 HE22 GLN I 15 18.734 4.017 13.017 1.00 0.24 H new ATOM 3371 N LEU I 16 19.111 3.069 5.934 1.00 0.02 N ATOM 3372 CA LEU I 16 18.498 2.076 5.011 1.00 0.02 C ATOM 3373 C LEU I 16 19.526 1.627 3.970 1.00 0.02 C ATOM 3374 O LEU I 16 19.479 0.518 3.476 1.00 0.02 O ATOM 3375 CB LEU I 16 17.303 2.722 4.313 1.00 0.02 C ATOM 3376 CG LEU I 16 16.263 3.115 5.361 1.00 0.02 C ATOM 3377 CD1 LEU I 16 15.141 3.911 4.698 1.00 0.02 C ATOM 3378 CD2 LEU I 16 15.682 1.853 5.999 1.00 0.02 C ATOM 0 H LEU I 16 18.768 4.024 5.831 1.00 0.02 H new ATOM 0 HA LEU I 16 18.168 1.204 5.576 1.00 0.02 H new ATOM 0 HB2 LEU I 16 17.624 3.601 3.754 1.00 0.02 H new ATOM 0 HB3 LEU I 16 16.868 2.028 3.593 1.00 0.02 H new ATOM 0 HG LEU I 16 16.737 3.728 6.128 1.00 0.02 H new ATOM 0 HD11 LEU I 16 14.401 4.190 5.448 1.00 0.02 H new ATOM 0 HD12 LEU I 16 15.554 4.811 4.243 1.00 0.02 H new ATOM 0 HD13 LEU I 16 14.667 3.301 3.929 1.00 0.02 H new ATOM 0 HD21 LEU I 16 14.940 2.132 6.747 1.00 0.02 H new ATOM 0 HD22 LEU I 16 15.210 1.241 5.230 1.00 0.02 H new ATOM 0 HD23 LEU I 16 16.481 1.285 6.475 1.00 0.02 H new ATOM 3390 N GLU I 17 20.454 2.478 3.638 1.00 0.28 N ATOM 3391 CA GLU I 17 21.487 2.105 2.630 1.00 0.28 C ATOM 3392 C GLU I 17 22.256 0.866 3.097 1.00 0.28 C ATOM 3393 O GLU I 17 22.613 0.013 2.309 1.00 0.28 O ATOM 3394 CB GLU I 17 22.463 3.265 2.462 1.00 0.28 C ATOM 3395 CG GLU I 17 22.058 4.104 1.251 1.00 0.28 C ATOM 3396 CD GLU I 17 23.312 4.689 0.602 1.00 0.28 C ATOM 3397 OE1 GLU I 17 24.115 3.913 0.105 1.00 0.28 O ATOM 3398 OE2 GLU I 17 23.451 5.902 0.613 1.00 0.28 O ATOM 0 H GLU I 17 20.543 3.419 4.021 1.00 0.28 H new ATOM 0 HA GLU I 17 20.998 1.885 1.681 1.00 0.28 H new ATOM 0 HB2 GLU I 17 22.467 3.883 3.360 1.00 0.28 H new ATOM 0 HB3 GLU I 17 23.476 2.885 2.331 1.00 0.28 H new ATOM 0 HG2 GLU I 17 21.516 3.489 0.533 1.00 0.28 H new ATOM 0 HG3 GLU I 17 21.385 4.905 1.557 1.00 0.28 H new ATOM 3405 N ASN I 18 22.528 0.763 4.368 1.00 0.41 N ATOM 3406 CA ASN I 18 23.289 -0.417 4.876 1.00 0.41 C ATOM 3407 C ASN I 18 22.608 -1.711 4.433 1.00 0.41 C ATOM 3408 O ASN I 18 23.250 -2.726 4.247 1.00 0.41 O ATOM 3409 CB ASN I 18 23.343 -0.371 6.404 1.00 0.41 C ATOM 3410 CG ASN I 18 23.778 1.024 6.852 1.00 0.41 C ATOM 3411 OD1 ASN I 18 24.636 1.631 6.241 1.00 0.41 O ATOM 3412 ND2 ASN I 18 23.219 1.563 7.900 1.00 0.41 N ATOM 0 H ASN I 18 22.257 1.443 5.078 1.00 0.41 H new ATOM 0 HA ASN I 18 24.300 -0.388 4.471 1.00 0.41 H new ATOM 0 HB2 ASN I 18 22.365 -0.611 6.821 1.00 0.41 H new ATOM 0 HB3 ASN I 18 24.042 -1.120 6.777 1.00 0.41 H new ATOM 0 HD21 ASN I 18 23.502 2.494 8.207 1.00 0.41 H new ATOM 0 HD22 ASN I 18 22.499 1.054 8.413 1.00 0.41 H new ATOM 3419 N TYR I 19 21.317 -1.692 4.265 1.00 0.10 N ATOM 3420 CA TYR I 19 20.609 -2.931 3.835 1.00 0.10 C ATOM 3421 C TYR I 19 20.516 -2.999 2.303 1.00 0.10 C ATOM 3422 O TYR I 19 20.160 -4.019 1.746 1.00 0.10 O ATOM 3423 CB TYR I 19 19.206 -2.941 4.437 1.00 0.10 C ATOM 3424 CG TYR I 19 19.313 -2.733 5.927 1.00 0.10 C ATOM 3425 CD1 TYR I 19 19.525 -3.872 6.806 1.00 0.10 C ATOM 3426 CD2 TYR I 19 19.209 -1.393 6.483 1.00 0.10 C ATOM 3427 CE1 TYR I 19 19.630 -3.671 8.243 1.00 0.10 C ATOM 3428 CE2 TYR I 19 19.314 -1.193 7.920 1.00 0.10 C ATOM 3429 CZ TYR I 19 19.525 -2.331 8.800 1.00 0.10 C ATOM 3430 OH TYR I 19 19.624 -2.142 10.164 1.00 0.10 O ATOM 0 H TYR I 19 20.722 -0.876 4.406 1.00 0.10 H new ATOM 0 HA TYR I 19 21.169 -3.798 4.184 1.00 0.10 H new ATOM 0 HB2 TYR I 19 18.598 -2.155 3.989 1.00 0.10 H new ATOM 0 HB3 TYR I 19 18.711 -3.888 4.223 1.00 0.10 H new ATOM 0 HD1 TYR I 19 19.604 -4.866 6.392 1.00 0.10 H new ATOM 0 HD2 TYR I 19 19.054 -0.547 5.830 1.00 0.10 H new ATOM 0 HE1 TYR I 19 19.786 -4.517 8.896 1.00 0.10 H new ATOM 0 HE2 TYR I 19 19.235 -0.198 8.334 1.00 0.10 H new ATOM 0 HH TYR I 19 19.116 -2.840 10.629 1.00 0.10 H new ATOM 3440 N CYS I 20 20.834 -1.933 1.612 1.00 0.06 N ATOM 3441 CA CYS I 20 20.762 -1.969 0.128 1.00 0.06 C ATOM 3442 C CYS I 20 21.653 -3.095 -0.396 1.00 0.06 C ATOM 3443 O CYS I 20 22.505 -3.606 0.302 1.00 0.06 O ATOM 3444 CB CYS I 20 21.248 -0.636 -0.433 1.00 0.06 C ATOM 3445 SG CYS I 20 20.530 -0.377 -2.072 1.00 0.06 S ATOM 0 H CYS I 20 21.138 -1.046 2.013 1.00 0.06 H new ATOM 0 HA CYS I 20 19.732 -2.144 -0.184 1.00 0.06 H new ATOM 0 HB2 CYS I 20 20.963 0.178 0.234 1.00 0.06 H new ATOM 0 HB3 CYS I 20 22.336 -0.630 -0.495 1.00 0.06 H new ATOM 3450 N ASN I 21 21.459 -3.487 -1.619 1.00 0.40 N ATOM 3451 CA ASN I 21 22.288 -4.581 -2.189 1.00 0.40 C ATOM 3452 C ASN I 21 23.394 -3.985 -3.061 1.00 0.40 C ATOM 3453 O ASN I 21 24.447 -4.593 -3.142 1.00 0.40 O ATOM 3454 CB ASN I 21 21.405 -5.490 -3.043 1.00 0.40 C ATOM 3455 CG ASN I 21 22.248 -6.637 -3.595 1.00 0.40 C ATOM 3456 OD1 ASN I 21 23.078 -6.435 -4.459 1.00 0.40 O ATOM 3457 ND2 ASN I 21 22.071 -7.843 -3.125 1.00 0.40 N ATOM 3458 OXT ASN I 21 23.165 -2.931 -3.633 1.00 0.40 O ATOM 0 H ASN I 21 20.760 -3.097 -2.252 1.00 0.40 H new ATOM 0 HA ASN I 21 22.736 -5.158 -1.380 1.00 0.40 H new ATOM 0 HB2 ASN I 21 20.582 -5.883 -2.446 1.00 0.40 H new ATOM 0 HB3 ASN I 21 20.962 -4.922 -3.861 1.00 0.40 H new ATOM 0 HD21 ASN I 21 22.630 -8.617 -3.483 1.00 0.40 H new ATOM 0 HD22 ASN I 21 21.374 -8.010 -2.400 1.00 0.40 H new TER 3465 ASN I 21 ATOM 3466 N PHE J 1 2.395 -7.456 17.788 1.00 0.56 N ATOM 3467 CA PHE J 1 3.070 -8.528 17.001 1.00 0.56 C ATOM 3468 C PHE J 1 2.678 -8.405 15.526 1.00 0.56 C ATOM 3469 O PHE J 1 3.412 -8.798 14.639 1.00 0.56 O ATOM 3470 CB PHE J 1 2.637 -9.895 17.527 1.00 0.56 C ATOM 3471 CG PHE J 1 3.360 -10.972 16.758 1.00 0.56 C ATOM 3472 CD1 PHE J 1 2.852 -11.406 15.466 1.00 0.56 C ATOM 3473 CD2 PHE J 1 4.566 -11.572 17.305 1.00 0.56 C ATOM 3474 CE1 PHE J 1 3.552 -12.441 14.721 1.00 0.56 C ATOM 3475 CE2 PHE J 1 5.265 -12.607 16.561 1.00 0.56 C ATOM 3476 CZ PHE J 1 4.758 -13.042 15.267 1.00 0.56 C ATOM 0 H1 PHE J 1 2.834 -7.387 18.728 1.00 0.56 H new ATOM 0 H2 PHE J 1 2.493 -6.547 17.292 1.00 0.56 H new ATOM 0 H3 PHE J 1 1.386 -7.686 17.893 1.00 0.56 H new ATOM 0 HA PHE J 1 4.150 -8.424 17.100 1.00 0.56 H new ATOM 0 HB2 PHE J 1 2.862 -9.977 18.590 1.00 0.56 H new ATOM 0 HB3 PHE J 1 1.559 -10.015 17.419 1.00 0.56 H new ATOM 0 HD1 PHE J 1 1.956 -10.960 15.060 1.00 0.56 H new ATOM 0 HD2 PHE J 1 4.943 -11.249 18.264 1.00 0.56 H new ATOM 0 HE1 PHE J 1 3.175 -12.763 13.761 1.00 0.56 H new ATOM 0 HE2 PHE J 1 6.160 -13.053 16.968 1.00 0.56 H new ATOM 0 HZ PHE J 1 5.277 -13.810 14.713 1.00 0.56 H new ATOM 3488 N VAL J 2 1.526 -7.860 15.259 1.00 0.05 N ATOM 3489 CA VAL J 2 1.085 -7.710 13.848 1.00 0.05 C ATOM 3490 C VAL J 2 1.794 -6.508 13.217 1.00 0.05 C ATOM 3491 O VAL J 2 2.001 -6.450 12.022 1.00 0.05 O ATOM 3492 CB VAL J 2 -0.425 -7.477 13.817 1.00 0.05 C ATOM 3493 CG1 VAL J 2 -1.138 -8.672 14.451 1.00 0.05 C ATOM 3494 CG2 VAL J 2 -0.762 -6.211 14.608 1.00 0.05 C ATOM 0 H VAL J 2 0.870 -7.512 15.958 1.00 0.05 H new ATOM 0 HA VAL J 2 1.332 -8.613 13.289 1.00 0.05 H new ATOM 0 HB VAL J 2 -0.752 -7.361 12.784 1.00 0.05 H new ATOM 0 HG11 VAL J 2 -2.215 -8.506 14.429 1.00 0.05 H new ATOM 0 HG12 VAL J 2 -0.899 -9.577 13.892 1.00 0.05 H new ATOM 0 HG13 VAL J 2 -0.809 -8.786 15.484 1.00 0.05 H new ATOM 0 HG21 VAL J 2 -1.839 -6.044 14.586 1.00 0.05 H new ATOM 0 HG22 VAL J 2 -0.434 -6.329 15.641 1.00 0.05 H new ATOM 0 HG23 VAL J 2 -0.254 -5.357 14.161 1.00 0.05 H new ATOM 3504 N ASN J 3 2.155 -5.544 14.012 1.00 0.23 N ATOM 3505 CA ASN J 3 2.836 -4.336 13.464 1.00 0.23 C ATOM 3506 C ASN J 3 4.038 -4.736 12.603 1.00 0.23 C ATOM 3507 O ASN J 3 4.265 -4.189 11.546 1.00 0.23 O ATOM 3508 CB ASN J 3 3.317 -3.466 14.626 1.00 0.23 C ATOM 3509 CG ASN J 3 2.847 -2.029 14.411 1.00 0.23 C ATOM 3510 OD1 ASN J 3 2.580 -1.625 13.295 1.00 0.23 O ATOM 3511 ND2 ASN J 3 2.729 -1.233 15.438 1.00 0.23 N ATOM 0 H ASN J 3 2.009 -5.538 15.021 1.00 0.23 H new ATOM 0 HA ASN J 3 2.130 -3.784 12.843 1.00 0.23 H new ATOM 0 HB2 ASN J 3 2.927 -3.851 15.569 1.00 0.23 H new ATOM 0 HB3 ASN J 3 4.404 -3.499 14.694 1.00 0.23 H new ATOM 0 HD21 ASN J 3 2.413 -0.272 15.305 1.00 0.23 H new ATOM 0 HD22 ASN J 3 2.953 -1.571 16.374 1.00 0.23 H new ATOM 3518 N GLN J 4 4.820 -5.670 13.052 1.00 0.24 N ATOM 3519 CA GLN J 4 6.016 -6.083 12.263 1.00 0.24 C ATOM 3520 C GLN J 4 5.602 -6.550 10.866 1.00 0.24 C ATOM 3521 O GLN J 4 6.048 -6.027 9.867 1.00 0.24 O ATOM 3522 CB GLN J 4 6.717 -7.231 12.987 1.00 0.24 C ATOM 3523 CG GLN J 4 8.150 -7.359 12.475 1.00 0.24 C ATOM 3524 CD GLN J 4 8.840 -8.529 13.177 1.00 0.24 C ATOM 3525 OE1 GLN J 4 9.416 -8.361 14.235 1.00 0.24 O ATOM 3526 NE2 GLN J 4 8.803 -9.715 12.631 1.00 0.24 N ATOM 0 H GLN J 4 4.686 -6.169 13.932 1.00 0.24 H new ATOM 0 HA GLN J 4 6.687 -5.230 12.164 1.00 0.24 H new ATOM 0 HB2 GLN J 4 6.719 -7.050 14.062 1.00 0.24 H new ATOM 0 HB3 GLN J 4 6.176 -8.163 12.822 1.00 0.24 H new ATOM 0 HG2 GLN J 4 8.149 -7.517 11.397 1.00 0.24 H new ATOM 0 HG3 GLN J 4 8.698 -6.435 12.661 1.00 0.24 H new ATOM 0 HE21 GLN J 4 8.319 -9.853 11.744 1.00 0.24 H new ATOM 0 HE22 GLN J 4 9.258 -10.503 13.092 1.00 0.24 H new ATOM 3535 N HIS J 5 4.769 -7.549 10.795 1.00 0.06 N ATOM 3536 CA HIS J 5 4.337 -8.081 9.471 1.00 0.06 C ATOM 3537 C HIS J 5 3.563 -7.023 8.678 1.00 0.06 C ATOM 3538 O HIS J 5 3.319 -7.188 7.502 1.00 0.06 O ATOM 3539 CB HIS J 5 3.435 -9.294 9.698 1.00 0.06 C ATOM 3540 CG HIS J 5 3.301 -10.072 8.421 1.00 0.06 C ATOM 3541 ND1 HIS J 5 3.900 -11.310 8.246 1.00 0.06 N ATOM 3542 CD2 HIS J 5 2.634 -9.807 7.250 1.00 0.06 C ATOM 3543 CE1 HIS J 5 3.584 -11.742 7.011 1.00 0.06 C ATOM 3544 NE2 HIS J 5 2.814 -10.863 6.361 1.00 0.06 N ATOM 0 H HIS J 5 4.365 -8.024 11.602 1.00 0.06 H new ATOM 0 HA HIS J 5 5.223 -8.360 8.900 1.00 0.06 H new ATOM 0 HB2 HIS J 5 3.853 -9.929 10.479 1.00 0.06 H new ATOM 0 HB3 HIS J 5 2.453 -8.970 10.042 1.00 0.06 H new ATOM 0 HD1 HIS J 5 4.475 -11.803 8.929 1.00 0.06 H new ATOM 0 HD2 HIS J 5 2.058 -8.916 7.050 1.00 0.06 H new ATOM 0 HE1 HIS J 5 3.912 -12.683 6.596 1.00 0.06 H new ATOM 3552 N LEU J 6 3.164 -5.949 9.303 1.00 0.04 N ATOM 3553 CA LEU J 6 2.397 -4.910 8.563 1.00 0.04 C ATOM 3554 C LEU J 6 3.306 -3.727 8.228 1.00 0.04 C ATOM 3555 O LEU J 6 3.413 -3.327 7.085 1.00 0.04 O ATOM 3556 CB LEU J 6 1.228 -4.438 9.427 1.00 0.04 C ATOM 3557 CG LEU J 6 0.351 -5.640 9.788 1.00 0.04 C ATOM 3558 CD1 LEU J 6 -0.575 -5.271 10.948 1.00 0.04 C ATOM 3559 CD2 LEU J 6 -0.488 -6.039 8.572 1.00 0.04 C ATOM 0 H LEU J 6 3.335 -5.748 10.288 1.00 0.04 H new ATOM 0 HA LEU J 6 2.017 -5.334 7.633 1.00 0.04 H new ATOM 0 HB2 LEU J 6 1.600 -3.959 10.333 1.00 0.04 H new ATOM 0 HB3 LEU J 6 0.641 -3.693 8.890 1.00 0.04 H new ATOM 0 HG LEU J 6 0.985 -6.476 10.085 1.00 0.04 H new ATOM 0 HD11 LEU J 6 -1.198 -6.128 11.203 1.00 0.04 H new ATOM 0 HD12 LEU J 6 0.022 -4.986 11.814 1.00 0.04 H new ATOM 0 HD13 LEU J 6 -1.210 -4.435 10.655 1.00 0.04 H new ATOM 0 HD21 LEU J 6 -1.113 -6.895 8.826 1.00 0.04 H new ATOM 0 HD22 LEU J 6 -1.121 -5.202 8.276 1.00 0.04 H new ATOM 0 HD23 LEU J 6 0.172 -6.305 7.746 1.00 0.04 H new ATOM 3571 N CYS J 7 3.960 -3.156 9.206 1.00 0.02 N ATOM 3572 CA CYS J 7 4.850 -1.999 8.913 1.00 0.02 C ATOM 3573 C CYS J 7 5.987 -2.453 7.993 1.00 0.02 C ATOM 3574 O CYS J 7 6.438 -1.717 7.137 1.00 0.02 O ATOM 3575 CB CYS J 7 5.403 -1.398 10.223 1.00 0.02 C ATOM 3576 SG CYS J 7 6.585 -2.513 11.032 1.00 0.02 S ATOM 0 H CYS J 7 3.916 -3.439 10.185 1.00 0.02 H new ATOM 0 HA CYS J 7 4.278 -1.221 8.407 1.00 0.02 H new ATOM 0 HB2 CYS J 7 5.889 -0.446 10.009 1.00 0.02 H new ATOM 0 HB3 CYS J 7 4.578 -1.188 10.903 1.00 0.02 H new ATOM 3581 N GLY J 8 6.448 -3.665 8.153 1.00 0.00 N ATOM 3582 CA GLY J 8 7.550 -4.169 7.282 1.00 0.00 C ATOM 3583 C GLY J 8 7.158 -4.009 5.813 1.00 0.00 C ATOM 3584 O GLY J 8 7.996 -3.882 4.944 1.00 0.00 O ATOM 0 H GLY J 8 6.109 -4.328 8.850 1.00 0.00 H new ATOM 0 HA2 GLY J 8 8.468 -3.619 7.486 1.00 0.00 H new ATOM 0 HA3 GLY J 8 7.751 -5.217 7.503 1.00 0.00 H new ATOM 3588 N SER J 9 5.885 -4.009 5.534 1.00 0.00 N ATOM 3589 CA SER J 9 5.427 -3.853 4.125 1.00 0.00 C ATOM 3590 C SER J 9 5.779 -2.452 3.619 1.00 0.00 C ATOM 3591 O SER J 9 6.002 -2.245 2.444 1.00 0.00 O ATOM 3592 CB SER J 9 3.911 -4.045 4.065 1.00 0.00 C ATOM 3593 OG SER J 9 3.599 -5.010 3.069 1.00 0.00 O ATOM 0 H SER J 9 5.140 -4.111 6.223 1.00 0.00 H new ATOM 0 HA SER J 9 5.920 -4.597 3.499 1.00 0.00 H new ATOM 0 HB2 SER J 9 3.536 -4.372 5.035 1.00 0.00 H new ATOM 0 HB3 SER J 9 3.422 -3.098 3.836 1.00 0.00 H new ATOM 0 HG SER J 9 3.692 -5.910 3.445 1.00 0.00 H new ATOM 3599 N HIS J 10 5.822 -1.489 4.495 1.00 0.03 N ATOM 3600 CA HIS J 10 6.151 -0.103 4.060 1.00 0.03 C ATOM 3601 C HIS J 10 7.661 0.108 4.108 1.00 0.03 C ATOM 3602 O HIS J 10 8.205 0.918 3.385 1.00 0.03 O ATOM 3603 CB HIS J 10 5.471 0.896 4.997 1.00 0.03 C ATOM 3604 CG HIS J 10 3.984 0.845 4.788 1.00 0.03 C ATOM 3605 ND1 HIS J 10 3.408 0.177 3.716 1.00 0.03 N ATOM 3606 CD2 HIS J 10 2.939 1.379 5.504 1.00 0.03 C ATOM 3607 CE1 HIS J 10 2.074 0.325 3.816 1.00 0.03 C ATOM 3608 NE2 HIS J 10 1.734 1.050 4.888 1.00 0.03 N ATOM 0 H HIS J 10 5.644 -1.601 5.493 1.00 0.03 H new ATOM 0 HA HIS J 10 5.798 0.048 3.040 1.00 0.03 H new ATOM 0 HB2 HIS J 10 5.712 0.661 6.034 1.00 0.03 H new ATOM 0 HB3 HIS J 10 5.842 1.903 4.804 1.00 0.03 H new ATOM 0 HD1 HIS J 10 3.905 -0.333 2.986 1.00 0.03 H new ATOM 0 HD2 HIS J 10 3.037 1.964 6.406 1.00 0.03 H new ATOM 0 HE1 HIS J 10 1.364 -0.091 3.116 1.00 0.03 H new ATOM 3616 N LEU J 11 8.344 -0.618 4.947 1.00 0.00 N ATOM 3617 CA LEU J 11 9.821 -0.455 5.030 1.00 0.00 C ATOM 3618 C LEU J 11 10.419 -0.804 3.672 1.00 0.00 C ATOM 3619 O LEU J 11 11.311 -0.147 3.180 1.00 0.00 O ATOM 3620 CB LEU J 11 10.404 -1.398 6.090 1.00 0.00 C ATOM 3621 CG LEU J 11 9.625 -1.298 7.406 1.00 0.00 C ATOM 3622 CD1 LEU J 11 10.325 -2.145 8.468 1.00 0.00 C ATOM 3623 CD2 LEU J 11 9.575 0.157 7.879 1.00 0.00 C ATOM 0 H LEU J 11 7.945 -1.315 5.577 1.00 0.00 H new ATOM 0 HA LEU J 11 10.058 0.573 5.306 1.00 0.00 H new ATOM 0 HB2 LEU J 11 10.375 -2.424 5.724 1.00 0.00 H new ATOM 0 HB3 LEU J 11 11.451 -1.151 6.264 1.00 0.00 H new ATOM 0 HG LEU J 11 8.609 -1.658 7.248 1.00 0.00 H new ATOM 0 HD11 LEU J 11 9.776 -2.078 9.407 1.00 0.00 H new ATOM 0 HD12 LEU J 11 10.359 -3.184 8.141 1.00 0.00 H new ATOM 0 HD13 LEU J 11 11.341 -1.778 8.615 1.00 0.00 H new ATOM 0 HD21 LEU J 11 9.019 0.216 8.815 1.00 0.00 H new ATOM 0 HD22 LEU J 11 10.589 0.524 8.036 1.00 0.00 H new ATOM 0 HD23 LEU J 11 9.081 0.768 7.124 1.00 0.00 H new ATOM 3635 N VAL J 12 9.926 -1.847 3.069 1.00 0.01 N ATOM 3636 CA VAL J 12 10.451 -2.268 1.741 1.00 0.01 C ATOM 3637 C VAL J 12 10.160 -1.188 0.702 1.00 0.01 C ATOM 3638 O VAL J 12 10.954 -0.935 -0.180 1.00 0.01 O ATOM 3639 CB VAL J 12 9.788 -3.584 1.320 1.00 0.01 C ATOM 3640 CG1 VAL J 12 10.280 -4.713 2.224 1.00 0.01 C ATOM 3641 CG2 VAL J 12 8.265 -3.468 1.438 1.00 0.01 C ATOM 0 H VAL J 12 9.177 -2.431 3.441 1.00 0.01 H new ATOM 0 HA VAL J 12 11.529 -2.413 1.811 1.00 0.01 H new ATOM 0 HB VAL J 12 10.051 -3.799 0.284 1.00 0.01 H new ATOM 0 HG11 VAL J 12 9.809 -5.650 1.925 1.00 0.01 H new ATOM 0 HG12 VAL J 12 11.362 -4.806 2.134 1.00 0.01 H new ATOM 0 HG13 VAL J 12 10.020 -4.490 3.259 1.00 0.01 H new ATOM 0 HG21 VAL J 12 7.804 -4.409 1.136 1.00 0.01 H new ATOM 0 HG22 VAL J 12 7.996 -3.247 2.471 1.00 0.01 H new ATOM 0 HG23 VAL J 12 7.910 -2.666 0.791 1.00 0.01 H new ATOM 3651 N GLU J 13 9.036 -0.537 0.798 1.00 0.05 N ATOM 3652 CA GLU J 13 8.714 0.532 -0.187 1.00 0.05 C ATOM 3653 C GLU J 13 9.816 1.588 -0.153 1.00 0.05 C ATOM 3654 O GLU J 13 10.270 2.064 -1.172 1.00 0.05 O ATOM 3655 CB GLU J 13 7.378 1.178 0.181 1.00 0.05 C ATOM 3656 CG GLU J 13 6.248 0.171 -0.044 1.00 0.05 C ATOM 3657 CD GLU J 13 5.173 0.799 -0.933 1.00 0.05 C ATOM 3658 OE1 GLU J 13 5.533 1.555 -1.822 1.00 0.05 O ATOM 3659 OE2 GLU J 13 4.007 0.511 -0.710 1.00 0.05 O ATOM 0 H GLU J 13 8.327 -0.698 1.514 1.00 0.05 H new ATOM 0 HA GLU J 13 8.644 0.104 -1.187 1.00 0.05 H new ATOM 0 HB2 GLU J 13 7.392 1.500 1.222 1.00 0.05 H new ATOM 0 HB3 GLU J 13 7.213 2.068 -0.425 1.00 0.05 H new ATOM 0 HG2 GLU J 13 6.640 -0.732 -0.512 1.00 0.05 H new ATOM 0 HG3 GLU J 13 5.816 -0.126 0.912 1.00 0.05 H new ATOM 3666 N ALA J 14 10.257 1.951 1.016 1.00 0.01 N ATOM 3667 CA ALA J 14 11.336 2.968 1.118 1.00 0.01 C ATOM 3668 C ALA J 14 12.668 2.333 0.729 1.00 0.01 C ATOM 3669 O ALA J 14 13.509 2.955 0.114 1.00 0.01 O ATOM 3670 CB ALA J 14 11.420 3.469 2.556 1.00 0.01 C ATOM 0 H ALA J 14 9.917 1.587 1.906 1.00 0.01 H new ATOM 0 HA ALA J 14 11.118 3.801 0.450 1.00 0.01 H new ATOM 0 HB1 ALA J 14 12.210 4.215 2.636 1.00 0.01 H new ATOM 0 HB2 ALA J 14 10.468 3.917 2.842 1.00 0.01 H new ATOM 0 HB3 ALA J 14 11.642 2.634 3.220 1.00 0.01 H new ATOM 3676 N LEU J 15 12.872 1.099 1.097 1.00 0.00 N ATOM 3677 CA LEU J 15 14.154 0.423 0.767 1.00 0.00 C ATOM 3678 C LEU J 15 14.399 0.455 -0.741 1.00 0.00 C ATOM 3679 O LEU J 15 15.343 1.063 -1.202 1.00 0.00 O ATOM 3680 CB LEU J 15 14.106 -1.033 1.237 1.00 0.00 C ATOM 3681 CG LEU J 15 14.387 -1.101 2.737 1.00 0.00 C ATOM 3682 CD1 LEU J 15 14.283 -2.549 3.212 1.00 0.00 C ATOM 3683 CD2 LEU J 15 15.793 -0.580 3.018 1.00 0.00 C ATOM 0 H LEU J 15 12.203 0.529 1.614 1.00 0.00 H new ATOM 0 HA LEU J 15 14.964 0.948 1.273 1.00 0.00 H new ATOM 0 HB2 LEU J 15 13.128 -1.463 1.021 1.00 0.00 H new ATOM 0 HB3 LEU J 15 14.842 -1.625 0.693 1.00 0.00 H new ATOM 0 HG LEU J 15 13.658 -0.489 3.267 1.00 0.00 H new ATOM 0 HD11 LEU J 15 14.484 -2.596 4.282 1.00 0.00 H new ATOM 0 HD12 LEU J 15 13.279 -2.926 3.014 1.00 0.00 H new ATOM 0 HD13 LEU J 15 15.012 -3.160 2.679 1.00 0.00 H new ATOM 0 HD21 LEU J 15 15.992 -0.629 4.089 1.00 0.00 H new ATOM 0 HD22 LEU J 15 16.521 -1.192 2.485 1.00 0.00 H new ATOM 0 HD23 LEU J 15 15.872 0.454 2.681 1.00 0.00 H new ATOM 3695 N TYR J 16 13.584 -0.218 -1.520 1.00 0.02 N ATOM 3696 CA TYR J 16 13.829 -0.227 -2.993 1.00 0.02 C ATOM 3697 C TYR J 16 13.637 1.179 -3.586 1.00 0.02 C ATOM 3698 O TYR J 16 14.024 1.435 -4.711 1.00 0.02 O ATOM 3699 CB TYR J 16 12.958 -1.300 -3.686 1.00 0.02 C ATOM 3700 CG TYR J 16 11.554 -0.830 -3.991 1.00 0.02 C ATOM 3701 CD1 TYR J 16 10.896 0.147 -3.141 1.00 0.02 C ATOM 3702 CD2 TYR J 16 10.859 -1.386 -5.139 1.00 0.02 C ATOM 3703 CE1 TYR J 16 9.535 0.570 -3.443 1.00 0.02 C ATOM 3704 CE2 TYR J 16 9.503 -0.964 -5.442 1.00 0.02 C ATOM 3705 CZ TYR J 16 8.838 0.014 -4.595 1.00 0.02 C ATOM 3706 OH TYR J 16 7.548 0.415 -4.883 1.00 0.02 O ATOM 0 H TYR J 16 12.774 -0.752 -1.204 1.00 0.02 H new ATOM 0 HA TYR J 16 14.867 -0.502 -3.179 1.00 0.02 H new ATOM 0 HB2 TYR J 16 13.441 -1.605 -4.615 1.00 0.02 H new ATOM 0 HB3 TYR J 16 12.907 -2.183 -3.049 1.00 0.02 H new ATOM 0 HD1 TYR J 16 11.414 0.559 -2.288 1.00 0.02 H new ATOM 0 HD2 TYR J 16 11.351 -2.114 -5.767 1.00 0.02 H new ATOM 0 HE1 TYR J 16 9.043 1.296 -2.813 1.00 0.02 H new ATOM 0 HE2 TYR J 16 8.988 -1.377 -6.297 1.00 0.02 H new ATOM 0 HH TYR J 16 7.480 0.640 -5.834 1.00 0.02 H new ATOM 3716 N LEU J 17 13.104 2.106 -2.831 1.00 0.10 N ATOM 3717 CA LEU J 17 12.971 3.488 -3.357 1.00 0.10 C ATOM 3718 C LEU J 17 14.328 4.167 -3.174 1.00 0.10 C ATOM 3719 O LEU J 17 14.843 4.817 -4.061 1.00 0.10 O ATOM 3720 CB LEU J 17 11.903 4.246 -2.576 1.00 0.10 C ATOM 3721 CG LEU J 17 11.714 5.628 -3.194 1.00 0.10 C ATOM 3722 CD1 LEU J 17 10.549 5.590 -4.183 1.00 0.10 C ATOM 3723 CD2 LEU J 17 11.411 6.641 -2.089 1.00 0.10 C ATOM 0 H LEU J 17 12.759 1.963 -1.882 1.00 0.10 H new ATOM 0 HA LEU J 17 12.676 3.477 -4.406 1.00 0.10 H new ATOM 0 HB2 LEU J 17 10.963 3.695 -2.594 1.00 0.10 H new ATOM 0 HB3 LEU J 17 12.198 4.339 -1.531 1.00 0.10 H new ATOM 0 HG LEU J 17 12.624 5.920 -3.717 1.00 0.10 H new ATOM 0 HD11 LEU J 17 10.414 6.577 -4.624 1.00 0.10 H new ATOM 0 HD12 LEU J 17 10.763 4.867 -4.970 1.00 0.10 H new ATOM 0 HD13 LEU J 17 9.638 5.298 -3.661 1.00 0.10 H new ATOM 0 HD21 LEU J 17 11.276 7.629 -2.529 1.00 0.10 H new ATOM 0 HD22 LEU J 17 10.500 6.348 -1.567 1.00 0.10 H new ATOM 0 HD23 LEU J 17 12.241 6.669 -1.383 1.00 0.10 H new ATOM 3735 N VAL J 18 14.923 3.982 -2.026 1.00 0.14 N ATOM 3736 CA VAL J 18 16.264 4.570 -1.768 1.00 0.14 C ATOM 3737 C VAL J 18 17.281 3.841 -2.641 1.00 0.14 C ATOM 3738 O VAL J 18 18.159 4.435 -3.228 1.00 0.14 O ATOM 3739 CB VAL J 18 16.631 4.372 -0.296 1.00 0.14 C ATOM 3740 CG1 VAL J 18 18.029 4.932 -0.033 1.00 0.14 C ATOM 3741 CG2 VAL J 18 15.617 5.104 0.585 1.00 0.14 C ATOM 0 H VAL J 18 14.532 3.444 -1.252 1.00 0.14 H new ATOM 0 HA VAL J 18 16.259 5.635 -1.998 1.00 0.14 H new ATOM 0 HB VAL J 18 16.618 3.308 -0.062 1.00 0.14 H new ATOM 0 HG11 VAL J 18 18.287 4.789 1.016 1.00 0.14 H new ATOM 0 HG12 VAL J 18 18.753 4.411 -0.659 1.00 0.14 H new ATOM 0 HG13 VAL J 18 18.045 5.996 -0.269 1.00 0.14 H new ATOM 0 HG21 VAL J 18 15.878 4.963 1.634 1.00 0.14 H new ATOM 0 HG22 VAL J 18 15.630 6.168 0.347 1.00 0.14 H new ATOM 0 HG23 VAL J 18 14.620 4.703 0.402 1.00 0.14 H new ATOM 3751 N CYS J 19 17.159 2.549 -2.729 1.00 0.05 N ATOM 3752 CA CYS J 19 18.103 1.762 -3.562 1.00 0.05 C ATOM 3753 C CYS J 19 17.858 2.079 -5.036 1.00 0.05 C ATOM 3754 O CYS J 19 18.735 1.942 -5.865 1.00 0.05 O ATOM 3755 CB CYS J 19 17.861 0.273 -3.320 1.00 0.05 C ATOM 3756 SG CYS J 19 18.552 -0.192 -1.715 1.00 0.05 S ATOM 0 H CYS J 19 16.440 2.001 -2.256 1.00 0.05 H new ATOM 0 HA CYS J 19 19.129 2.017 -3.298 1.00 0.05 H new ATOM 0 HB2 CYS J 19 16.793 0.058 -3.345 1.00 0.05 H new ATOM 0 HB3 CYS J 19 18.323 -0.316 -4.112 1.00 0.05 H new ATOM 3761 N GLY J 20 16.669 2.499 -5.369 1.00 0.15 N ATOM 3762 CA GLY J 20 16.368 2.823 -6.789 1.00 0.15 C ATOM 3763 C GLY J 20 16.352 1.538 -7.610 1.00 0.15 C ATOM 3764 O GLY J 20 15.392 0.795 -7.603 1.00 0.15 O ATOM 0 H GLY J 20 15.894 2.631 -4.719 1.00 0.15 H new ATOM 0 HA2 GLY J 20 15.404 3.326 -6.862 1.00 0.15 H new ATOM 0 HA3 GLY J 20 17.117 3.510 -7.183 1.00 0.15 H new ATOM 3768 N GLU J 21 17.408 1.266 -8.320 1.00 0.43 N ATOM 3769 CA GLU J 21 17.448 0.028 -9.142 1.00 0.43 C ATOM 3770 C GLU J 21 18.170 -1.072 -8.369 1.00 0.43 C ATOM 3771 O GLU J 21 17.970 -2.245 -8.609 1.00 0.43 O ATOM 3772 CB GLU J 21 18.194 0.308 -10.445 1.00 0.43 C ATOM 3773 CG GLU J 21 17.444 1.377 -11.240 1.00 0.43 C ATOM 3774 CD GLU J 21 18.411 2.068 -12.202 1.00 0.43 C ATOM 3775 OE1 GLU J 21 18.759 1.458 -13.202 1.00 0.43 O ATOM 3776 OE2 GLU J 21 18.790 3.196 -11.923 1.00 0.43 O ATOM 0 H GLU J 21 18.245 1.847 -8.367 1.00 0.43 H new ATOM 0 HA GLU J 21 16.431 -0.293 -9.367 1.00 0.43 H new ATOM 0 HB2 GLU J 21 19.209 0.643 -10.231 1.00 0.43 H new ATOM 0 HB3 GLU J 21 18.278 -0.606 -11.033 1.00 0.43 H new ATOM 0 HG2 GLU J 21 16.623 0.923 -11.796 1.00 0.43 H new ATOM 0 HG3 GLU J 21 17.004 2.108 -10.562 1.00 0.43 H new ATOM 3783 N ARG J 22 19.012 -0.709 -7.442 1.00 0.34 N ATOM 3784 CA ARG J 22 19.744 -1.746 -6.663 1.00 0.34 C ATOM 3785 C ARG J 22 18.732 -2.619 -5.919 1.00 0.34 C ATOM 3786 O ARG J 22 17.604 -2.228 -5.700 1.00 0.34 O ATOM 3787 CB ARG J 22 20.682 -1.074 -5.655 1.00 0.34 C ATOM 3788 CG ARG J 22 21.446 0.062 -6.344 1.00 0.34 C ATOM 3789 CD ARG J 22 22.947 -0.097 -6.094 1.00 0.34 C ATOM 3790 NE ARG J 22 23.396 0.930 -5.116 1.00 0.34 N ATOM 3791 CZ ARG J 22 23.683 0.581 -3.891 1.00 0.34 C ATOM 3792 NH1 ARG J 22 24.489 -0.424 -3.669 1.00 0.34 N ATOM 3793 NH2 ARG J 22 23.161 1.233 -2.888 1.00 0.34 N ATOM 0 H ARG J 22 19.224 0.257 -7.191 1.00 0.34 H new ATOM 0 HA ARG J 22 20.335 -2.362 -7.341 1.00 0.34 H new ATOM 0 HB2 ARG J 22 20.109 -0.683 -4.814 1.00 0.34 H new ATOM 0 HB3 ARG J 22 21.383 -1.805 -5.251 1.00 0.34 H new ATOM 0 HG2 ARG J 22 21.243 0.052 -7.415 1.00 0.34 H new ATOM 0 HG3 ARG J 22 21.105 1.025 -5.964 1.00 0.34 H new ATOM 0 HD2 ARG J 22 23.160 -1.096 -5.713 1.00 0.34 H new ATOM 0 HD3 ARG J 22 23.496 0.011 -7.029 1.00 0.34 H new ATOM 0 HE ARG J 22 23.480 1.906 -5.402 1.00 0.34 H new ATOM 0 HH11 ARG J 22 24.894 -0.936 -4.453 1.00 0.34 H new ATOM 0 HH12 ARG J 22 24.713 -0.696 -2.712 1.00 0.34 H new ATOM 0 HH21 ARG J 22 22.529 2.015 -3.061 1.00 0.34 H new ATOM 0 HH22 ARG J 22 23.385 0.961 -1.931 1.00 0.34 H new ATOM 3807 N GLY J 23 19.124 -3.801 -5.532 1.00 0.01 N ATOM 3808 CA GLY J 23 18.182 -4.696 -4.805 1.00 0.01 C ATOM 3809 C GLY J 23 18.438 -4.602 -3.306 1.00 0.01 C ATOM 3810 O GLY J 23 19.287 -3.862 -2.861 1.00 0.01 O ATOM 0 H GLY J 23 20.056 -4.186 -5.688 1.00 0.01 H new ATOM 0 HA2 GLY J 23 17.153 -4.413 -5.026 1.00 0.01 H new ATOM 0 HA3 GLY J 23 18.310 -5.725 -5.142 1.00 0.01 H new ATOM 3814 N PHE J 24 17.711 -5.347 -2.522 1.00 0.01 N ATOM 3815 CA PHE J 24 17.927 -5.297 -1.051 1.00 0.01 C ATOM 3816 C PHE J 24 17.447 -6.605 -0.421 1.00 0.01 C ATOM 3817 O PHE J 24 16.483 -7.199 -0.861 1.00 0.01 O ATOM 3818 CB PHE J 24 17.164 -4.103 -0.455 1.00 0.01 C ATOM 3819 CG PHE J 24 15.671 -4.292 -0.606 1.00 0.01 C ATOM 3820 CD1 PHE J 24 15.035 -4.079 -1.893 1.00 0.01 C ATOM 3821 CD2 PHE J 24 14.874 -4.688 0.544 1.00 0.01 C ATOM 3822 CE1 PHE J 24 13.598 -4.264 -2.032 1.00 0.01 C ATOM 3823 CE2 PHE J 24 13.438 -4.871 0.405 1.00 0.01 C ATOM 3824 CZ PHE J 24 12.800 -4.658 -0.885 1.00 0.01 C ATOM 0 H PHE J 24 16.980 -5.986 -2.835 1.00 0.01 H new ATOM 0 HA PHE J 24 18.989 -5.172 -0.841 1.00 0.01 H new ATOM 0 HB2 PHE J 24 17.417 -3.994 0.600 1.00 0.01 H new ATOM 0 HB3 PHE J 24 17.471 -3.184 -0.953 1.00 0.01 H new ATOM 0 HD1 PHE J 24 15.627 -3.784 -2.746 1.00 0.01 H new ATOM 0 HD2 PHE J 24 15.348 -4.846 1.501 1.00 0.01 H new ATOM 0 HE1 PHE J 24 13.125 -4.108 -2.990 1.00 0.01 H new ATOM 0 HE2 PHE J 24 12.846 -5.165 1.259 1.00 0.01 H new ATOM 0 HZ PHE J 24 11.734 -4.793 -0.989 1.00 0.01 H new ATOM 3834 N PHE J 25 18.103 -7.049 0.608 1.00 0.32 N ATOM 3835 CA PHE J 25 17.668 -8.313 1.267 1.00 0.32 C ATOM 3836 C PHE J 25 16.802 -7.971 2.477 1.00 0.32 C ATOM 3837 O PHE J 25 17.232 -7.306 3.395 1.00 0.32 O ATOM 3838 CB PHE J 25 18.881 -9.142 1.707 1.00 0.32 C ATOM 3839 CG PHE J 25 19.925 -8.250 2.328 1.00 0.32 C ATOM 3840 CD1 PHE J 25 19.868 -7.938 3.746 1.00 0.32 C ATOM 3841 CD2 PHE J 25 20.984 -7.697 1.502 1.00 0.32 C ATOM 3842 CE1 PHE J 25 20.875 -7.072 4.340 1.00 0.32 C ATOM 3843 CE2 PHE J 25 21.991 -6.831 2.094 1.00 0.32 C ATOM 3844 CZ PHE J 25 21.937 -6.517 3.514 1.00 0.32 C ATOM 0 H PHE J 25 18.918 -6.597 1.023 1.00 0.32 H new ATOM 0 HA PHE J 25 17.093 -8.906 0.556 1.00 0.32 H new ATOM 0 HB2 PHE J 25 18.570 -9.903 2.423 1.00 0.32 H new ATOM 0 HB3 PHE J 25 19.303 -9.665 0.849 1.00 0.32 H new ATOM 0 HD1 PHE J 25 19.079 -8.349 4.358 1.00 0.32 H new ATOM 0 HD2 PHE J 25 21.024 -7.929 0.448 1.00 0.32 H new ATOM 0 HE1 PHE J 25 20.834 -6.841 5.394 1.00 0.32 H new ATOM 0 HE2 PHE J 25 22.779 -6.421 1.480 1.00 0.32 H new ATOM 0 HZ PHE J 25 22.684 -5.873 3.954 1.00 0.32 H new ATOM 3854 N TYR J 26 15.576 -8.415 2.476 1.00 0.00 N ATOM 3855 CA TYR J 26 14.670 -8.114 3.615 1.00 0.00 C ATOM 3856 C TYR J 26 14.447 -9.381 4.439 1.00 0.00 C ATOM 3857 O TYR J 26 13.849 -10.334 3.983 1.00 0.00 O ATOM 3858 CB TYR J 26 13.331 -7.621 3.069 1.00 0.00 C ATOM 3859 CG TYR J 26 12.466 -7.127 4.199 1.00 0.00 C ATOM 3860 CD1 TYR J 26 12.611 -5.764 4.681 1.00 0.00 C ATOM 3861 CD2 TYR J 26 11.480 -8.010 4.800 1.00 0.00 C ATOM 3862 CE1 TYR J 26 11.772 -5.283 5.768 1.00 0.00 C ATOM 3863 CE2 TYR J 26 10.640 -7.530 5.887 1.00 0.00 C ATOM 3864 CZ TYR J 26 10.786 -6.167 6.371 1.00 0.00 C ATOM 3865 OH TYR J 26 9.988 -5.712 7.399 1.00 0.00 O ATOM 0 H TYR J 26 15.162 -8.976 1.731 1.00 0.00 H new ATOM 0 HA TYR J 26 15.117 -7.347 4.247 1.00 0.00 H new ATOM 0 HB2 TYR J 26 13.495 -6.820 2.348 1.00 0.00 H new ATOM 0 HB3 TYR J 26 12.825 -8.428 2.539 1.00 0.00 H new ATOM 0 HD1 TYR J 26 13.342 -5.108 4.232 1.00 0.00 H new ATOM 0 HD2 TYR J 26 11.371 -9.022 4.440 1.00 0.00 H new ATOM 0 HE1 TYR J 26 11.881 -4.270 6.127 1.00 0.00 H new ATOM 0 HE2 TYR J 26 9.908 -8.186 6.334 1.00 0.00 H new ATOM 0 HH TYR J 26 9.754 -6.460 7.987 1.00 0.00 H new ATOM 3875 N THR J 27 14.917 -9.398 5.652 1.00 0.22 N ATOM 3876 CA THR J 27 14.728 -10.598 6.512 1.00 0.22 C ATOM 3877 C THR J 27 14.039 -10.172 7.822 1.00 0.22 C ATOM 3878 O THR J 27 14.697 -9.652 8.697 1.00 0.22 O ATOM 3879 CB THR J 27 16.091 -11.213 6.826 1.00 0.22 C ATOM 3880 OG1 THR J 27 16.779 -11.476 5.612 1.00 0.22 O ATOM 3881 CG2 THR J 27 15.897 -12.520 7.593 1.00 0.22 C ATOM 0 H THR J 27 15.426 -8.629 6.088 1.00 0.22 H new ATOM 0 HA THR J 27 14.110 -11.333 5.995 1.00 0.22 H new ATOM 0 HB THR J 27 16.672 -10.519 7.433 1.00 0.22 H new ATOM 0 HG1 THR J 27 17.654 -11.869 5.811 1.00 0.22 H new ATOM 0 HG21 THR J 27 16.870 -12.958 7.817 1.00 0.22 H new ATOM 0 HG22 THR J 27 15.366 -12.320 8.524 1.00 0.22 H new ATOM 0 HG23 THR J 27 15.317 -13.215 6.986 1.00 0.22 H new ATOM 3889 N PRO J 28 12.733 -10.387 7.940 1.00 0.05 N ATOM 3890 CA PRO J 28 11.999 -9.995 9.157 1.00 0.05 C ATOM 3891 C PRO J 28 12.258 -10.988 10.295 1.00 0.05 C ATOM 3892 O PRO J 28 12.018 -10.694 11.449 1.00 0.05 O ATOM 3893 CB PRO J 28 10.532 -10.017 8.725 1.00 0.05 C ATOM 3894 CG PRO J 28 10.450 -10.941 7.490 1.00 0.05 C ATOM 3895 CD PRO J 28 11.871 -11.030 6.911 1.00 0.05 C ATOM 0 HA PRO J 28 12.305 -9.022 9.540 1.00 0.05 H new ATOM 0 HB2 PRO J 28 9.897 -10.388 9.529 1.00 0.05 H new ATOM 0 HB3 PRO J 28 10.185 -9.013 8.482 1.00 0.05 H new ATOM 0 HG2 PRO J 28 10.083 -11.929 7.769 1.00 0.05 H new ATOM 0 HG3 PRO J 28 9.756 -10.540 6.752 1.00 0.05 H new ATOM 0 HD2 PRO J 28 12.165 -12.065 6.737 1.00 0.05 H new ATOM 0 HD3 PRO J 28 11.943 -10.514 5.954 1.00 0.05 H new ATOM 3903 N LYS J 29 12.753 -12.153 9.987 1.00 0.42 N ATOM 3904 CA LYS J 29 13.030 -13.142 11.064 1.00 0.42 C ATOM 3905 C LYS J 29 14.219 -12.657 11.892 1.00 0.42 C ATOM 3906 O LYS J 29 15.318 -13.166 11.778 1.00 0.42 O ATOM 3907 CB LYS J 29 13.356 -14.501 10.441 1.00 0.42 C ATOM 3908 CG LYS J 29 12.685 -15.608 11.259 1.00 0.42 C ATOM 3909 CD LYS J 29 13.477 -15.846 12.546 1.00 0.42 C ATOM 3910 CE LYS J 29 14.787 -16.567 12.214 1.00 0.42 C ATOM 3911 NZ LYS J 29 14.836 -17.870 12.940 1.00 0.42 N ATOM 0 H LYS J 29 12.977 -12.462 9.041 1.00 0.42 H new ATOM 0 HA LYS J 29 12.154 -13.244 11.705 1.00 0.42 H new ATOM 0 HB2 LYS J 29 13.007 -14.534 9.409 1.00 0.42 H new ATOM 0 HB3 LYS J 29 14.435 -14.654 10.418 1.00 0.42 H new ATOM 0 HG2 LYS J 29 11.659 -15.327 11.498 1.00 0.42 H new ATOM 0 HG3 LYS J 29 12.636 -16.527 10.675 1.00 0.42 H new ATOM 0 HD2 LYS J 29 13.687 -14.896 13.037 1.00 0.42 H new ATOM 0 HD3 LYS J 29 12.888 -16.442 13.243 1.00 0.42 H new ATOM 0 HE2 LYS J 29 14.860 -16.734 11.139 1.00 0.42 H new ATOM 0 HE3 LYS J 29 15.638 -15.948 12.499 1.00 0.42 H new ATOM 0 HZ1 LYS J 29 15.725 -18.360 12.715 1.00 0.42 H new ATOM 0 HZ2 LYS J 29 14.785 -17.699 13.965 1.00 0.42 H new ATOM 0 HZ3 LYS J 29 14.032 -18.461 12.647 1.00 0.42 H new ATOM 3925 N THR J 30 14.010 -11.670 12.723 1.00 0.41 N ATOM 3926 CA THR J 30 15.132 -11.147 13.558 1.00 0.41 C ATOM 3927 C THR J 30 15.491 -12.179 14.634 1.00 0.41 C ATOM 3928 O THR J 30 14.762 -12.268 15.612 1.00 0.41 O ATOM 3929 CB THR J 30 14.706 -9.834 14.226 1.00 0.41 C ATOM 3930 OG1 THR J 30 14.223 -8.935 13.236 1.00 0.41 O ATOM 3931 CG2 THR J 30 15.906 -9.210 14.946 1.00 0.41 C ATOM 3932 OXT THR J 30 16.489 -12.865 14.462 1.00 0.41 O ATOM 0 H THR J 30 13.113 -11.204 12.860 1.00 0.41 H new ATOM 0 HA THR J 30 16.001 -10.964 12.926 1.00 0.41 H new ATOM 0 HB THR J 30 13.917 -10.035 14.950 1.00 0.41 H new ATOM 0 HG1 THR J 30 13.949 -8.096 13.662 1.00 0.41 H new ATOM 0 HG21 THR J 30 15.601 -8.277 15.420 1.00 0.41 H new ATOM 0 HG22 THR J 30 16.273 -9.900 15.706 1.00 0.41 H new ATOM 0 HG23 THR J 30 16.698 -9.009 14.225 1.00 0.41 H new TER 3940 THR J 30 ATOM 3941 N GLY K 1 14.043 -11.259 -14.059 1.00 0.30 N ATOM 3942 CA GLY K 1 14.447 -12.290 -13.058 1.00 0.30 C ATOM 3943 C GLY K 1 13.259 -12.606 -12.145 1.00 0.30 C ATOM 3944 O GLY K 1 12.666 -13.665 -12.223 1.00 0.30 O ATOM 0 H1 GLY K 1 14.644 -11.341 -14.903 1.00 0.30 H new ATOM 0 H2 GLY K 1 13.049 -11.406 -14.327 1.00 0.30 H new ATOM 0 H3 GLY K 1 14.154 -10.311 -13.645 1.00 0.30 H new ATOM 0 HA2 GLY K 1 14.780 -13.195 -13.566 1.00 0.30 H new ATOM 0 HA3 GLY K 1 15.288 -11.928 -12.467 1.00 0.30 H new ATOM 3950 N ILE K 2 12.906 -11.694 -11.280 1.00 0.03 N ATOM 3951 CA ILE K 2 11.755 -11.943 -10.369 1.00 0.03 C ATOM 3952 C ILE K 2 10.681 -10.890 -10.625 1.00 0.03 C ATOM 3953 O ILE K 2 9.500 -11.167 -10.585 1.00 0.03 O ATOM 3954 CB ILE K 2 12.224 -11.849 -8.917 1.00 0.03 C ATOM 3955 CG1 ILE K 2 11.037 -12.094 -7.984 1.00 0.03 C ATOM 3956 CG2 ILE K 2 12.798 -10.456 -8.654 1.00 0.03 C ATOM 3957 CD1 ILE K 2 11.536 -12.209 -6.542 1.00 0.03 C ATOM 0 H ILE K 2 13.364 -10.790 -11.166 1.00 0.03 H new ATOM 0 HA ILE K 2 11.348 -12.937 -10.553 1.00 0.03 H new ATOM 0 HB ILE K 2 12.994 -12.599 -8.734 1.00 0.03 H new ATOM 0 HG12 ILE K 2 10.320 -11.277 -8.068 1.00 0.03 H new ATOM 0 HG13 ILE K 2 10.516 -13.006 -8.273 1.00 0.03 H new ATOM 0 HG21 ILE K 2 13.132 -10.390 -7.619 1.00 0.03 H new ATOM 0 HG22 ILE K 2 13.643 -10.279 -9.320 1.00 0.03 H new ATOM 0 HG23 ILE K 2 12.029 -9.705 -8.836 1.00 0.03 H new ATOM 0 HD11 ILE K 2 10.690 -12.384 -5.877 1.00 0.03 H new ATOM 0 HD12 ILE K 2 12.236 -13.041 -6.465 1.00 0.03 H new ATOM 0 HD13 ILE K 2 12.038 -11.285 -6.256 1.00 0.03 H new ATOM 3969 N VAL K 3 11.084 -9.681 -10.889 1.00 0.00 N ATOM 3970 CA VAL K 3 10.091 -8.606 -11.147 1.00 0.00 C ATOM 3971 C VAL K 3 9.456 -8.817 -12.520 1.00 0.00 C ATOM 3972 O VAL K 3 8.254 -8.931 -12.655 1.00 0.00 O ATOM 3973 CB VAL K 3 10.799 -7.255 -11.123 1.00 0.00 C ATOM 3974 CG1 VAL K 3 9.759 -6.138 -11.183 1.00 0.00 C ATOM 3975 CG2 VAL K 3 11.610 -7.129 -9.832 1.00 0.00 C ATOM 0 H VAL K 3 12.061 -9.391 -10.937 1.00 0.00 H new ATOM 0 HA VAL K 3 9.317 -8.632 -10.380 1.00 0.00 H new ATOM 0 HB VAL K 3 11.467 -7.177 -11.980 1.00 0.00 H new ATOM 0 HG11 VAL K 3 10.262 -5.171 -11.166 1.00 0.00 H new ATOM 0 HG12 VAL K 3 9.179 -6.229 -12.102 1.00 0.00 H new ATOM 0 HG13 VAL K 3 9.092 -6.215 -10.324 1.00 0.00 H new ATOM 0 HG21 VAL K 3 12.117 -6.164 -9.813 1.00 0.00 H new ATOM 0 HG22 VAL K 3 10.942 -7.205 -8.974 1.00 0.00 H new ATOM 0 HG23 VAL K 3 12.350 -7.928 -9.788 1.00 0.00 H new ATOM 3985 N GLU K 4 10.259 -8.864 -13.539 1.00 0.39 N ATOM 3986 CA GLU K 4 9.719 -9.063 -14.910 1.00 0.39 C ATOM 3987 C GLU K 4 8.922 -10.366 -14.971 1.00 0.39 C ATOM 3988 O GLU K 4 8.061 -10.540 -15.809 1.00 0.39 O ATOM 3989 CB GLU K 4 10.892 -9.152 -15.885 1.00 0.39 C ATOM 3990 CG GLU K 4 10.486 -8.564 -17.236 1.00 0.39 C ATOM 3991 CD GLU K 4 11.703 -8.552 -18.165 1.00 0.39 C ATOM 3992 OE1 GLU K 4 12.587 -7.737 -17.941 1.00 0.39 O ATOM 3993 OE2 GLU K 4 11.733 -9.360 -19.081 1.00 0.39 O ATOM 0 H GLU K 4 11.273 -8.773 -13.483 1.00 0.39 H new ATOM 0 HA GLU K 4 9.066 -8.231 -15.172 1.00 0.39 H new ATOM 0 HB2 GLU K 4 11.751 -8.612 -15.486 1.00 0.39 H new ATOM 0 HB3 GLU K 4 11.198 -10.191 -16.007 1.00 0.39 H new ATOM 0 HG2 GLU K 4 9.683 -9.155 -17.677 1.00 0.39 H new ATOM 0 HG3 GLU K 4 10.103 -7.552 -17.105 1.00 0.39 H new ATOM 4000 N GLN K 5 9.219 -11.290 -14.108 1.00 0.23 N ATOM 4001 CA GLN K 5 8.505 -12.596 -14.133 1.00 0.23 C ATOM 4002 C GLN K 5 7.178 -12.506 -13.370 1.00 0.23 C ATOM 4003 O GLN K 5 6.202 -13.122 -13.741 1.00 0.23 O ATOM 4004 CB GLN K 5 9.403 -13.649 -13.479 1.00 0.23 C ATOM 4005 CG GLN K 5 8.697 -15.004 -13.455 1.00 0.23 C ATOM 4006 CD GLN K 5 9.459 -15.949 -12.527 1.00 0.23 C ATOM 4007 OE1 GLN K 5 10.673 -15.991 -12.550 1.00 0.23 O ATOM 4008 NE2 GLN K 5 8.796 -16.713 -11.703 1.00 0.23 N ATOM 0 H GLN K 5 9.929 -11.199 -13.381 1.00 0.23 H new ATOM 0 HA GLN K 5 8.285 -12.868 -15.165 1.00 0.23 H new ATOM 0 HB2 GLN K 5 10.341 -13.729 -14.028 1.00 0.23 H new ATOM 0 HB3 GLN K 5 9.654 -13.343 -12.463 1.00 0.23 H new ATOM 0 HG2 GLN K 5 7.670 -14.886 -13.111 1.00 0.23 H new ATOM 0 HG3 GLN K 5 8.650 -15.421 -14.461 1.00 0.23 H new ATOM 0 HE21 GLN K 5 7.777 -16.678 -11.683 1.00 0.23 H new ATOM 0 HE22 GLN K 5 9.297 -17.345 -11.079 1.00 0.23 H new ATOM 4017 N CYS K 6 7.140 -11.770 -12.294 1.00 0.00 N ATOM 4018 CA CYS K 6 5.879 -11.685 -11.505 1.00 0.00 C ATOM 4019 C CYS K 6 5.091 -10.428 -11.866 1.00 0.00 C ATOM 4020 O CYS K 6 3.904 -10.353 -11.618 1.00 0.00 O ATOM 4021 CB CYS K 6 6.217 -11.668 -10.016 1.00 0.00 C ATOM 4022 SG CYS K 6 7.247 -13.104 -9.616 1.00 0.00 S ATOM 0 H CYS K 6 7.922 -11.227 -11.929 1.00 0.00 H new ATOM 0 HA CYS K 6 5.263 -12.553 -11.739 1.00 0.00 H new ATOM 0 HB2 CYS K 6 6.743 -10.748 -9.762 1.00 0.00 H new ATOM 0 HB3 CYS K 6 5.302 -11.687 -9.424 1.00 0.00 H new ATOM 4027 N CYS K 7 5.722 -9.445 -12.448 1.00 0.08 N ATOM 4028 CA CYS K 7 4.971 -8.211 -12.815 1.00 0.08 C ATOM 4029 C CYS K 7 4.481 -8.316 -14.265 1.00 0.08 C ATOM 4030 O CYS K 7 4.172 -7.326 -14.896 1.00 0.08 O ATOM 4031 CB CYS K 7 5.873 -6.983 -12.657 1.00 0.08 C ATOM 4032 SG CYS K 7 4.852 -5.484 -12.674 1.00 0.08 S ATOM 0 H CYS K 7 6.714 -9.442 -12.683 1.00 0.08 H new ATOM 0 HA CYS K 7 4.112 -8.106 -12.153 1.00 0.08 H new ATOM 0 HB2 CYS K 7 6.432 -7.046 -11.723 1.00 0.08 H new ATOM 0 HB3 CYS K 7 6.604 -6.948 -13.465 1.00 0.08 H new ATOM 4037 N THR K 8 4.390 -9.509 -14.795 1.00 0.28 N ATOM 4038 CA THR K 8 3.905 -9.667 -16.196 1.00 0.28 C ATOM 4039 C THR K 8 2.636 -10.515 -16.187 1.00 0.28 C ATOM 4040 O THR K 8 1.670 -10.215 -16.860 1.00 0.28 O ATOM 4041 CB THR K 8 4.969 -10.372 -17.038 1.00 0.28 C ATOM 4042 OG1 THR K 8 5.455 -11.505 -16.333 1.00 0.28 O ATOM 4043 CG2 THR K 8 6.121 -9.406 -17.319 1.00 0.28 C ATOM 0 H THR K 8 4.630 -10.378 -14.318 1.00 0.28 H new ATOM 0 HA THR K 8 3.700 -8.685 -16.622 1.00 0.28 H new ATOM 0 HB THR K 8 4.532 -10.695 -17.983 1.00 0.28 H new ATOM 0 HG1 THR K 8 6.378 -11.341 -16.048 1.00 0.28 H new ATOM 0 HG21 THR K 8 6.879 -9.909 -17.919 1.00 0.28 H new ATOM 0 HG22 THR K 8 5.745 -8.539 -17.862 1.00 0.28 H new ATOM 0 HG23 THR K 8 6.561 -9.081 -16.376 1.00 0.28 H new ATOM 4051 N SER K 9 2.630 -11.573 -15.426 1.00 0.33 N ATOM 4052 CA SER K 9 1.422 -12.440 -15.367 1.00 0.33 C ATOM 4053 C SER K 9 1.231 -12.962 -13.940 1.00 0.33 C ATOM 4054 O SER K 9 0.590 -13.970 -13.725 1.00 0.33 O ATOM 4055 CB SER K 9 1.597 -13.620 -16.323 1.00 0.33 C ATOM 4056 OG SER K 9 2.439 -13.227 -17.399 1.00 0.33 O ATOM 0 H SER K 9 3.410 -11.875 -14.842 1.00 0.33 H new ATOM 0 HA SER K 9 0.546 -11.861 -15.659 1.00 0.33 H new ATOM 0 HB2 SER K 9 2.032 -14.469 -15.796 1.00 0.33 H new ATOM 0 HB3 SER K 9 0.628 -13.943 -16.703 1.00 0.33 H new ATOM 0 HG SER K 9 2.556 -13.980 -18.015 1.00 0.33 H new ATOM 4062 N ILE K 10 1.774 -12.278 -12.967 1.00 0.14 N ATOM 4063 CA ILE K 10 1.619 -12.719 -11.551 1.00 0.14 C ATOM 4064 C ILE K 10 2.241 -14.104 -11.343 1.00 0.14 C ATOM 4065 O ILE K 10 1.867 -15.070 -11.976 1.00 0.14 O ATOM 4066 CB ILE K 10 0.133 -12.757 -11.188 1.00 0.14 C ATOM 4067 CG1 ILE K 10 -0.456 -11.354 -11.348 1.00 0.14 C ATOM 4068 CG2 ILE K 10 -0.036 -13.214 -9.738 1.00 0.14 C ATOM 4069 CD1 ILE K 10 -1.981 -11.430 -11.290 1.00 0.14 C ATOM 0 H ILE K 10 2.322 -11.427 -13.095 1.00 0.14 H new ATOM 0 HA ILE K 10 2.136 -12.010 -10.905 1.00 0.14 H new ATOM 0 HB ILE K 10 -0.384 -13.455 -11.846 1.00 0.14 H new ATOM 0 HG12 ILE K 10 -0.084 -10.700 -10.559 1.00 0.14 H new ATOM 0 HG13 ILE K 10 -0.139 -10.921 -12.297 1.00 0.14 H new ATOM 0 HG21 ILE K 10 -1.096 -13.239 -9.486 1.00 0.14 H new ATOM 0 HG22 ILE K 10 0.389 -14.211 -9.619 1.00 0.14 H new ATOM 0 HG23 ILE K 10 0.479 -12.518 -9.075 1.00 0.14 H new ATOM 0 HD11 ILE K 10 -2.400 -10.430 -11.404 1.00 0.14 H new ATOM 0 HD12 ILE K 10 -2.344 -12.069 -12.094 1.00 0.14 H new ATOM 0 HD13 ILE K 10 -2.288 -11.845 -10.330 1.00 0.14 H new ATOM 4081 N CYS K 11 3.183 -14.200 -10.442 1.00 0.04 N ATOM 4082 CA CYS K 11 3.830 -15.512 -10.168 1.00 0.04 C ATOM 4083 C CYS K 11 2.917 -16.339 -9.263 1.00 0.04 C ATOM 4084 O CYS K 11 2.080 -15.808 -8.561 1.00 0.04 O ATOM 4085 CB CYS K 11 5.162 -15.287 -9.451 1.00 0.04 C ATOM 4086 SG CYS K 11 6.384 -14.636 -10.613 1.00 0.04 S ATOM 0 H CYS K 11 3.532 -13.421 -9.883 1.00 0.04 H new ATOM 0 HA CYS K 11 4.003 -16.035 -11.109 1.00 0.04 H new ATOM 0 HB2 CYS K 11 5.027 -14.590 -8.624 1.00 0.04 H new ATOM 0 HB3 CYS K 11 5.517 -16.224 -9.023 1.00 0.04 H new ATOM 4091 N SER K 12 3.075 -17.632 -9.267 1.00 0.24 N ATOM 4092 CA SER K 12 2.219 -18.486 -8.398 1.00 0.24 C ATOM 4093 C SER K 12 2.874 -18.619 -7.024 1.00 0.24 C ATOM 4094 O SER K 12 4.051 -18.361 -6.857 1.00 0.24 O ATOM 4095 CB SER K 12 2.067 -19.869 -9.029 1.00 0.24 C ATOM 4096 OG SER K 12 3.348 -20.344 -9.425 1.00 0.24 O ATOM 0 H SER K 12 3.759 -18.134 -9.833 1.00 0.24 H new ATOM 0 HA SER K 12 1.235 -18.030 -8.292 1.00 0.24 H new ATOM 0 HB2 SER K 12 1.614 -20.559 -8.317 1.00 0.24 H new ATOM 0 HB3 SER K 12 1.402 -19.818 -9.891 1.00 0.24 H new ATOM 0 HG SER K 12 3.499 -20.129 -10.369 1.00 0.24 H new ATOM 4102 N LEU K 13 2.122 -19.018 -6.036 1.00 0.20 N ATOM 4103 CA LEU K 13 2.694 -19.163 -4.666 1.00 0.20 C ATOM 4104 C LEU K 13 3.948 -20.041 -4.704 1.00 0.20 C ATOM 4105 O LEU K 13 4.952 -19.731 -4.094 1.00 0.20 O ATOM 4106 CB LEU K 13 1.653 -19.808 -3.752 1.00 0.20 C ATOM 4107 CG LEU K 13 2.066 -19.619 -2.292 1.00 0.20 C ATOM 4108 CD1 LEU K 13 0.817 -19.422 -1.432 1.00 0.20 C ATOM 4109 CD2 LEU K 13 2.824 -20.860 -1.813 1.00 0.20 C ATOM 0 H LEU K 13 1.132 -19.251 -6.118 1.00 0.20 H new ATOM 0 HA LEU K 13 2.964 -18.177 -4.287 1.00 0.20 H new ATOM 0 HB2 LEU K 13 0.675 -19.360 -3.925 1.00 0.20 H new ATOM 0 HB3 LEU K 13 1.562 -20.870 -3.980 1.00 0.20 H new ATOM 0 HG LEU K 13 2.709 -18.743 -2.205 1.00 0.20 H new ATOM 0 HD11 LEU K 13 1.110 -19.287 -0.391 1.00 0.20 H new ATOM 0 HD12 LEU K 13 0.275 -18.540 -1.774 1.00 0.20 H new ATOM 0 HD13 LEU K 13 0.174 -20.298 -1.518 1.00 0.20 H new ATOM 0 HD21 LEU K 13 3.119 -20.727 -0.772 1.00 0.20 H new ATOM 0 HD22 LEU K 13 2.180 -21.735 -1.898 1.00 0.20 H new ATOM 0 HD23 LEU K 13 3.713 -21.003 -2.427 1.00 0.20 H new ATOM 4121 N TYR K 14 3.902 -21.136 -5.408 1.00 0.52 N ATOM 4122 CA TYR K 14 5.093 -22.033 -5.471 1.00 0.52 C ATOM 4123 C TYR K 14 6.240 -21.328 -6.194 1.00 0.52 C ATOM 4124 O TYR K 14 7.398 -21.612 -5.963 1.00 0.52 O ATOM 4125 CB TYR K 14 4.724 -23.315 -6.220 1.00 0.52 C ATOM 4126 CG TYR K 14 3.670 -24.056 -5.437 1.00 0.52 C ATOM 4127 CD1 TYR K 14 4.014 -24.682 -4.170 1.00 0.52 C ATOM 4128 CD2 TYR K 14 2.309 -24.135 -5.941 1.00 0.52 C ATOM 4129 CE1 TYR K 14 2.996 -25.388 -3.406 1.00 0.52 C ATOM 4130 CE2 TYR K 14 1.290 -24.842 -5.179 1.00 0.52 C ATOM 4131 CZ TYR K 14 1.634 -25.467 -3.911 1.00 0.52 C ATOM 4132 OH TYR K 14 0.666 -26.134 -3.186 1.00 0.52 O ATOM 0 H TYR K 14 3.093 -21.451 -5.943 1.00 0.52 H new ATOM 0 HA TYR K 14 5.411 -22.280 -4.458 1.00 0.52 H new ATOM 0 HB2 TYR K 14 4.353 -23.075 -7.217 1.00 0.52 H new ATOM 0 HB3 TYR K 14 5.606 -23.942 -6.350 1.00 0.52 H new ATOM 0 HD1 TYR K 14 5.025 -24.623 -3.796 1.00 0.52 H new ATOM 0 HD2 TYR K 14 2.054 -23.669 -6.881 1.00 0.52 H new ATOM 0 HE1 TYR K 14 3.251 -25.853 -2.465 1.00 0.52 H new ATOM 0 HE2 TYR K 14 0.279 -24.903 -5.555 1.00 0.52 H new ATOM 0 HH TYR K 14 -0.188 -26.091 -3.664 1.00 0.52 H new ATOM 4142 N GLN K 15 5.932 -20.412 -7.067 1.00 0.23 N ATOM 4143 CA GLN K 15 7.014 -19.697 -7.801 1.00 0.23 C ATOM 4144 C GLN K 15 7.662 -18.667 -6.878 1.00 0.23 C ATOM 4145 O GLN K 15 8.847 -18.406 -6.955 1.00 0.23 O ATOM 4146 CB GLN K 15 6.415 -18.979 -9.010 1.00 0.23 C ATOM 4147 CG GLN K 15 6.468 -19.896 -10.230 1.00 0.23 C ATOM 4148 CD GLN K 15 5.702 -19.246 -11.381 1.00 0.23 C ATOM 4149 OE1 GLN K 15 4.488 -19.283 -11.416 1.00 0.23 O ATOM 4150 NE2 GLN K 15 6.365 -18.642 -12.330 1.00 0.23 N ATOM 0 H GLN K 15 4.982 -20.127 -7.304 1.00 0.23 H new ATOM 0 HA GLN K 15 7.764 -20.415 -8.132 1.00 0.23 H new ATOM 0 HB2 GLN K 15 5.384 -18.694 -8.802 1.00 0.23 H new ATOM 0 HB3 GLN K 15 6.966 -18.060 -9.209 1.00 0.23 H new ATOM 0 HG2 GLN K 15 7.503 -20.074 -10.521 1.00 0.23 H new ATOM 0 HG3 GLN K 15 6.033 -20.866 -9.990 1.00 0.23 H new ATOM 0 HE21 GLN K 15 7.384 -18.611 -12.300 1.00 0.23 H new ATOM 0 HE22 GLN K 15 5.864 -18.201 -13.101 1.00 0.23 H new ATOM 4159 N LEU K 16 6.890 -18.072 -6.012 1.00 0.02 N ATOM 4160 CA LEU K 16 7.449 -17.047 -5.088 1.00 0.02 C ATOM 4161 C LEU K 16 8.353 -17.717 -4.051 1.00 0.02 C ATOM 4162 O LEU K 16 9.292 -17.125 -3.555 1.00 0.02 O ATOM 4163 CB LEU K 16 6.295 -16.335 -4.385 1.00 0.02 C ATOM 4164 CG LEU K 16 5.434 -15.622 -5.429 1.00 0.02 C ATOM 4165 CD1 LEU K 16 4.184 -15.047 -4.762 1.00 0.02 C ATOM 4166 CD2 LEU K 16 6.241 -14.489 -6.062 1.00 0.02 C ATOM 0 H LEU K 16 5.892 -18.253 -5.904 1.00 0.02 H new ATOM 0 HA LEU K 16 8.039 -16.326 -5.653 1.00 0.02 H new ATOM 0 HB2 LEU K 16 5.693 -17.054 -3.829 1.00 0.02 H new ATOM 0 HB3 LEU K 16 6.681 -15.616 -3.662 1.00 0.02 H new ATOM 0 HG LEU K 16 5.135 -16.334 -6.199 1.00 0.02 H new ATOM 0 HD11 LEU K 16 3.573 -14.540 -5.509 1.00 0.02 H new ATOM 0 HD12 LEU K 16 3.608 -15.855 -4.310 1.00 0.02 H new ATOM 0 HD13 LEU K 16 4.478 -14.336 -3.990 1.00 0.02 H new ATOM 0 HD21 LEU K 16 5.630 -13.979 -6.807 1.00 0.02 H new ATOM 0 HD22 LEU K 16 6.540 -13.780 -5.290 1.00 0.02 H new ATOM 0 HD23 LEU K 16 7.130 -14.899 -6.541 1.00 0.02 H new ATOM 4178 N GLU K 17 8.081 -18.950 -3.722 1.00 0.29 N ATOM 4179 CA GLU K 17 8.922 -19.661 -2.719 1.00 0.29 C ATOM 4180 C GLU K 17 10.379 -19.708 -3.188 1.00 0.29 C ATOM 4181 O GLU K 17 11.296 -19.588 -2.402 1.00 0.29 O ATOM 4182 CB GLU K 17 8.404 -21.087 -2.555 1.00 0.29 C ATOM 4183 CG GLU K 17 7.484 -21.157 -1.338 1.00 0.29 C ATOM 4184 CD GLU K 17 7.615 -22.533 -0.685 1.00 0.29 C ATOM 4185 OE1 GLU K 17 8.693 -22.835 -0.194 1.00 0.29 O ATOM 4186 OE2 GLU K 17 6.636 -23.265 -0.687 1.00 0.29 O ATOM 0 H GLU K 17 7.310 -19.497 -4.106 1.00 0.29 H new ATOM 0 HA GLU K 17 8.870 -19.129 -1.769 1.00 0.29 H new ATOM 0 HB2 GLU K 17 7.864 -21.395 -3.451 1.00 0.29 H new ATOM 0 HB3 GLU K 17 9.239 -21.777 -2.433 1.00 0.29 H new ATOM 0 HG2 GLU K 17 7.746 -20.376 -0.624 1.00 0.29 H new ATOM 0 HG3 GLU K 17 6.451 -20.981 -1.638 1.00 0.29 H new ATOM 4193 N ASN K 18 10.603 -19.894 -4.461 1.00 0.41 N ATOM 4194 CA ASN K 18 12.004 -19.961 -4.972 1.00 0.41 C ATOM 4195 C ASN K 18 12.785 -18.725 -4.526 1.00 0.41 C ATOM 4196 O ASN K 18 13.984 -18.773 -4.335 1.00 0.41 O ATOM 4197 CB ASN K 18 11.989 -20.027 -6.500 1.00 0.41 C ATOM 4198 CG ASN K 18 10.999 -21.102 -6.949 1.00 0.41 C ATOM 4199 OD1 ASN K 18 10.905 -22.151 -6.340 1.00 0.41 O ATOM 4200 ND2 ASN K 18 10.250 -20.886 -7.995 1.00 0.41 N ATOM 0 H ASN K 18 9.877 -20.002 -5.169 1.00 0.41 H new ATOM 0 HA ASN K 18 12.485 -20.853 -4.570 1.00 0.41 H new ATOM 0 HB2 ASN K 18 11.706 -19.059 -6.915 1.00 0.41 H new ATOM 0 HB3 ASN K 18 12.987 -20.255 -6.876 1.00 0.41 H new ATOM 0 HD21 ASN K 18 9.586 -21.597 -8.302 1.00 0.41 H new ATOM 0 HD22 ASN K 18 10.329 -20.007 -8.506 1.00 0.41 H new ATOM 4207 N TYR K 19 12.123 -17.616 -4.361 1.00 0.10 N ATOM 4208 CA TYR K 19 12.842 -16.384 -3.929 1.00 0.10 C ATOM 4209 C TYR K 19 12.857 -16.275 -2.396 1.00 0.10 C ATOM 4210 O TYR K 19 13.560 -15.456 -1.839 1.00 0.10 O ATOM 4211 CB TYR K 19 12.149 -15.162 -4.525 1.00 0.10 C ATOM 4212 CG TYR K 19 12.017 -15.352 -6.017 1.00 0.10 C ATOM 4213 CD1 TYR K 19 13.107 -14.966 -6.899 1.00 0.10 C ATOM 4214 CD2 TYR K 19 10.803 -15.931 -6.570 1.00 0.10 C ATOM 4215 CE1 TYR K 19 12.982 -15.157 -8.334 1.00 0.10 C ATOM 4216 CE2 TYR K 19 10.678 -16.120 -8.006 1.00 0.10 C ATOM 4217 CZ TYR K 19 11.768 -15.734 -8.889 1.00 0.10 C ATOM 4218 OH TYR K 19 11.648 -15.912 -10.253 1.00 0.10 O ATOM 0 H TYR K 19 11.119 -17.508 -4.505 1.00 0.10 H new ATOM 0 HA TYR K 19 13.872 -16.434 -4.281 1.00 0.10 H new ATOM 0 HB2 TYR K 19 11.166 -15.029 -4.074 1.00 0.10 H new ATOM 0 HB3 TYR K 19 12.723 -14.261 -4.309 1.00 0.10 H new ATOM 0 HD1 TYR K 19 14.009 -14.538 -6.488 1.00 0.10 H new ATOM 0 HD2 TYR K 19 9.995 -16.220 -5.914 1.00 0.10 H new ATOM 0 HE1 TYR K 19 13.791 -14.870 -8.989 1.00 0.10 H new ATOM 0 HE2 TYR K 19 9.775 -16.547 -8.418 1.00 0.10 H new ATOM 0 HH TYR K 19 11.076 -15.209 -10.626 1.00 0.10 H new ATOM 4228 N CYS K 20 12.098 -17.088 -1.704 1.00 0.06 N ATOM 4229 CA CYS K 20 12.095 -17.012 -0.218 1.00 0.06 C ATOM 4230 C CYS K 20 13.516 -17.223 0.308 1.00 0.06 C ATOM 4231 O CYS K 20 14.383 -17.709 -0.391 1.00 0.06 O ATOM 4232 CB CYS K 20 11.182 -18.100 0.340 1.00 0.06 C ATOM 4233 SG CYS K 20 10.608 -17.615 1.982 1.00 0.06 S ATOM 0 H CYS K 20 11.484 -17.797 -2.105 1.00 0.06 H new ATOM 0 HA CYS K 20 11.734 -16.033 0.096 1.00 0.06 H new ATOM 0 HB2 CYS K 20 10.332 -18.253 -0.324 1.00 0.06 H new ATOM 0 HB3 CYS K 20 11.718 -19.048 0.395 1.00 0.06 H new ATOM 4238 N ASN K 21 13.763 -16.859 1.532 1.00 0.41 N ATOM 4239 CA ASN K 21 15.128 -17.036 2.098 1.00 0.41 C ATOM 4240 C ASN K 21 15.166 -18.297 2.963 1.00 0.41 C ATOM 4241 O ASN K 21 16.219 -18.910 3.034 1.00 0.41 O ATOM 4242 CB ASN K 21 15.482 -15.820 2.955 1.00 0.41 C ATOM 4243 CG ASN K 21 16.898 -15.976 3.504 1.00 0.41 C ATOM 4244 OD1 ASN K 21 17.139 -16.796 4.370 1.00 0.41 O ATOM 4245 ND2 ASN K 21 17.854 -15.220 3.033 1.00 0.41 N ATOM 4246 OXT ASN K 21 14.142 -18.627 3.539 1.00 0.41 O ATOM 0 H ASN K 21 13.079 -16.446 2.166 1.00 0.41 H new ATOM 0 HA ASN K 21 15.848 -17.134 1.286 1.00 0.41 H new ATOM 0 HB2 ASN K 21 15.410 -14.910 2.360 1.00 0.41 H new ATOM 0 HB3 ASN K 21 14.772 -15.721 3.776 1.00 0.41 H new ATOM 0 HD21 ASN K 21 18.804 -15.317 3.391 1.00 0.41 H new ATOM 0 HD22 ASN K 21 17.650 -14.533 2.307 1.00 0.41 H new TER 4253 ASN K 21 ATOM 4254 N PHE L 1 7.634 1.709 -17.809 1.00 0.55 N ATOM 4255 CA PHE L 1 8.901 1.653 -17.026 1.00 0.55 C ATOM 4256 C PHE L 1 8.601 1.922 -15.548 1.00 0.55 C ATOM 4257 O PHE L 1 9.308 1.472 -14.667 1.00 0.55 O ATOM 4258 CB PHE L 1 9.871 2.714 -17.549 1.00 0.55 C ATOM 4259 CG PHE L 1 11.167 2.621 -16.784 1.00 0.55 C ATOM 4260 CD1 PHE L 1 11.296 3.273 -15.489 1.00 0.55 C ATOM 4261 CD2 PHE L 1 12.285 1.876 -17.338 1.00 0.55 C ATOM 4262 CE1 PHE L 1 12.545 3.181 -14.750 1.00 0.55 C ATOM 4263 CE2 PHE L 1 13.536 1.784 -16.599 1.00 0.55 C ATOM 4264 CZ PHE L 1 13.665 2.436 -15.304 1.00 0.55 C ATOM 0 H1 PHE L 1 7.799 1.331 -18.764 1.00 0.55 H new ATOM 0 H2 PHE L 1 6.906 1.140 -17.332 1.00 0.55 H new ATOM 0 H3 PHE L 1 7.312 2.695 -17.878 1.00 0.55 H new ATOM 0 HA PHE L 1 9.350 0.665 -17.132 1.00 0.55 H new ATOM 0 HB2 PHE L 1 10.052 2.565 -18.614 1.00 0.55 H new ATOM 0 HB3 PHE L 1 9.438 3.708 -17.435 1.00 0.55 H new ATOM 0 HD1 PHE L 1 10.464 3.825 -15.077 1.00 0.55 H new ATOM 0 HD2 PHE L 1 12.188 1.391 -18.298 1.00 0.55 H new ATOM 0 HE1 PHE L 1 12.641 3.666 -13.790 1.00 0.55 H new ATOM 0 HE2 PHE L 1 14.368 1.232 -17.011 1.00 0.55 H new ATOM 0 HZ PHE L 1 14.592 2.367 -14.754 1.00 0.55 H new ATOM 4276 N VAL L 2 7.558 2.652 -15.273 1.00 0.05 N ATOM 4277 CA VAL L 2 7.211 2.947 -13.860 1.00 0.05 C ATOM 4278 C VAL L 2 6.528 1.732 -13.234 1.00 0.05 C ATOM 4279 O VAL L 2 6.589 1.516 -12.040 1.00 0.05 O ATOM 4280 CB VAL L 2 6.254 4.138 -13.816 1.00 0.05 C ATOM 4281 CG1 VAL L 2 6.932 5.356 -14.436 1.00 0.05 C ATOM 4282 CG2 VAL L 2 4.988 3.804 -14.609 1.00 0.05 C ATOM 0 H VAL L 2 6.931 3.057 -15.968 1.00 0.05 H new ATOM 0 HA VAL L 2 8.120 3.179 -13.304 1.00 0.05 H new ATOM 0 HB VAL L 2 5.990 4.354 -12.781 1.00 0.05 H new ATOM 0 HG11 VAL L 2 6.251 6.206 -14.405 1.00 0.05 H new ATOM 0 HG12 VAL L 2 7.836 5.594 -13.875 1.00 0.05 H new ATOM 0 HG13 VAL L 2 7.195 5.139 -15.471 1.00 0.05 H new ATOM 0 HG21 VAL L 2 4.305 4.653 -14.578 1.00 0.05 H new ATOM 0 HG22 VAL L 2 5.253 3.589 -15.644 1.00 0.05 H new ATOM 0 HG23 VAL L 2 4.503 2.932 -14.170 1.00 0.05 H new ATOM 4292 N ASN L 3 5.867 0.943 -14.029 1.00 0.22 N ATOM 4293 CA ASN L 3 5.160 -0.253 -13.485 1.00 0.22 C ATOM 4294 C ASN L 3 6.109 -1.099 -12.629 1.00 0.22 C ATOM 4295 O ASN L 3 5.749 -1.575 -11.575 1.00 0.22 O ATOM 4296 CB ASN L 3 4.644 -1.097 -14.648 1.00 0.22 C ATOM 4297 CG ASN L 3 3.167 -1.411 -14.428 1.00 0.22 C ATOM 4298 OD1 ASN L 3 2.691 -1.389 -13.310 1.00 0.22 O ATOM 4299 ND2 ASN L 3 2.415 -1.702 -15.455 1.00 0.22 N ATOM 0 H ASN L 3 5.784 1.073 -15.037 1.00 0.22 H new ATOM 0 HA ASN L 3 4.331 0.080 -12.861 1.00 0.22 H new ATOM 0 HB2 ASN L 3 4.778 -0.562 -15.588 1.00 0.22 H new ATOM 0 HB3 ASN L 3 5.217 -2.021 -14.724 1.00 0.22 H new ATOM 0 HD21 ASN L 3 1.426 -1.911 -15.320 1.00 0.22 H new ATOM 0 HD22 ASN L 3 2.817 -1.720 -16.392 1.00 0.22 H new ATOM 4306 N GLN L 4 7.310 -1.304 -13.078 1.00 0.25 N ATOM 4307 CA GLN L 4 8.266 -2.135 -12.295 1.00 0.25 C ATOM 4308 C GLN L 4 8.468 -1.546 -10.897 1.00 0.25 C ATOM 4309 O GLN L 4 8.241 -2.197 -9.897 1.00 0.25 O ATOM 4310 CB GLN L 4 9.608 -2.170 -13.025 1.00 0.25 C ATOM 4311 CG GLN L 4 10.436 -3.349 -12.517 1.00 0.25 C ATOM 4312 CD GLN L 4 11.794 -3.355 -13.220 1.00 0.25 C ATOM 4313 OE1 GLN L 4 11.938 -3.934 -14.280 1.00 0.25 O ATOM 4314 NE2 GLN L 4 12.804 -2.732 -12.674 1.00 0.25 N ATOM 0 H GLN L 4 7.675 -0.933 -13.955 1.00 0.25 H new ATOM 0 HA GLN L 4 7.863 -3.143 -12.196 1.00 0.25 H new ATOM 0 HB2 GLN L 4 9.447 -2.261 -14.099 1.00 0.25 H new ATOM 0 HB3 GLN L 4 10.147 -1.237 -12.862 1.00 0.25 H new ATOM 0 HG2 GLN L 4 10.573 -3.274 -11.438 1.00 0.25 H new ATOM 0 HG3 GLN L 4 9.911 -4.285 -12.707 1.00 0.25 H new ATOM 0 HE21 GLN L 4 12.684 -2.246 -11.785 1.00 0.25 H new ATOM 0 HE22 GLN L 4 13.713 -2.731 -13.137 1.00 0.25 H new ATOM 4323 N HIS L 5 8.917 -0.326 -10.823 1.00 0.06 N ATOM 4324 CA HIS L 5 9.165 0.312 -9.497 1.00 0.06 C ATOM 4325 C HIS L 5 7.864 0.455 -8.701 1.00 0.06 C ATOM 4326 O HIS L 5 7.886 0.753 -7.525 1.00 0.06 O ATOM 4327 CB HIS L 5 9.769 1.697 -9.722 1.00 0.06 C ATOM 4328 CG HIS L 5 10.384 2.196 -8.445 1.00 0.06 C ATOM 4329 ND1 HIS L 5 11.756 2.286 -8.274 1.00 0.06 N ATOM 4330 CD2 HIS L 5 9.829 2.643 -7.272 1.00 0.06 C ATOM 4331 CE1 HIS L 5 11.979 2.772 -7.039 1.00 0.06 C ATOM 4332 NE2 HIS L 5 10.838 3.007 -6.385 1.00 0.06 N ATOM 0 H HIS L 5 9.125 0.263 -11.629 1.00 0.06 H new ATOM 0 HA HIS L 5 9.848 -0.319 -8.928 1.00 0.06 H new ATOM 0 HB2 HIS L 5 10.524 1.652 -10.507 1.00 0.06 H new ATOM 0 HB3 HIS L 5 8.998 2.390 -10.061 1.00 0.06 H new ATOM 0 HD1 HIS L 5 12.467 2.031 -8.959 1.00 0.06 H new ATOM 0 HD2 HIS L 5 8.770 2.703 -7.068 1.00 0.06 H new ATOM 0 HE1 HIS L 5 12.961 2.950 -6.627 1.00 0.06 H new ATOM 4340 N LEU L 6 6.732 0.262 -9.321 1.00 0.04 N ATOM 4341 CA LEU L 6 5.451 0.407 -8.578 1.00 0.04 C ATOM 4342 C LEU L 6 4.877 -0.972 -8.247 1.00 0.04 C ATOM 4343 O LEU L 6 4.574 -1.262 -7.106 1.00 0.04 O ATOM 4344 CB LEU L 6 4.459 1.188 -9.437 1.00 0.04 C ATOM 4345 CG LEU L 6 5.066 2.547 -9.793 1.00 0.04 C ATOM 4346 CD1 LEU L 6 4.281 3.172 -10.948 1.00 0.04 C ATOM 4347 CD2 LEU L 6 4.999 3.469 -8.574 1.00 0.04 C ATOM 0 H LEU L 6 6.640 0.011 -10.305 1.00 0.04 H new ATOM 0 HA LEU L 6 5.632 0.944 -7.647 1.00 0.04 H new ATOM 0 HB2 LEU L 6 4.227 0.630 -10.344 1.00 0.04 H new ATOM 0 HB3 LEU L 6 3.521 1.325 -8.898 1.00 0.04 H new ATOM 0 HG LEU L 6 6.105 2.413 -10.092 1.00 0.04 H new ATOM 0 HD11 LEU L 6 4.714 4.140 -11.201 1.00 0.04 H new ATOM 0 HD12 LEU L 6 4.328 2.516 -11.817 1.00 0.04 H new ATOM 0 HD13 LEU L 6 3.241 3.307 -10.650 1.00 0.04 H new ATOM 0 HD21 LEU L 6 5.431 4.437 -8.826 1.00 0.04 H new ATOM 0 HD22 LEU L 6 3.959 3.602 -8.275 1.00 0.04 H new ATOM 0 HD23 LEU L 6 5.559 3.025 -7.751 1.00 0.04 H new ATOM 4359 N CYS L 7 4.717 -1.825 -9.225 1.00 0.02 N ATOM 4360 CA CYS L 7 4.157 -3.173 -8.934 1.00 0.02 C ATOM 4361 C CYS L 7 5.119 -3.936 -8.020 1.00 0.02 C ATOM 4362 O CYS L 7 4.708 -4.699 -7.171 1.00 0.02 O ATOM 4363 CB CYS L 7 3.905 -3.951 -10.244 1.00 0.02 C ATOM 4364 SG CYS L 7 5.457 -4.420 -11.063 1.00 0.02 S ATOM 0 H CYS L 7 4.948 -1.647 -10.202 1.00 0.02 H new ATOM 0 HA CYS L 7 3.199 -3.063 -8.426 1.00 0.02 H new ATOM 0 HB2 CYS L 7 3.323 -4.847 -10.028 1.00 0.02 H new ATOM 0 HB3 CYS L 7 3.308 -3.339 -10.920 1.00 0.02 H new ATOM 4369 N GLY L 8 6.400 -3.727 -8.182 1.00 0.00 N ATOM 4370 CA GLY L 8 7.388 -4.437 -7.316 1.00 0.00 C ATOM 4371 C GLY L 8 7.058 -4.181 -5.846 1.00 0.00 C ATOM 4372 O GLY L 8 7.363 -4.976 -4.981 1.00 0.00 O ATOM 0 H GLY L 8 6.804 -3.097 -8.875 1.00 0.00 H new ATOM 0 HA2 GLY L 8 7.366 -5.507 -7.523 1.00 0.00 H new ATOM 0 HA3 GLY L 8 8.397 -4.090 -7.538 1.00 0.00 H new ATOM 4376 N SER L 9 6.430 -3.078 -5.561 1.00 0.00 N ATOM 4377 CA SER L 9 6.071 -2.763 -4.151 1.00 0.00 C ATOM 4378 C SER L 9 5.034 -3.767 -3.645 1.00 0.00 C ATOM 4379 O SER L 9 4.971 -4.068 -2.471 1.00 0.00 O ATOM 4380 CB SER L 9 5.483 -1.354 -4.088 1.00 0.00 C ATOM 4381 OG SER L 9 6.168 -0.604 -3.094 1.00 0.00 O ATOM 0 H SER L 9 6.148 -2.377 -6.246 1.00 0.00 H new ATOM 0 HA SER L 9 6.963 -2.822 -3.527 1.00 0.00 H new ATOM 0 HB2 SER L 9 5.576 -0.865 -5.058 1.00 0.00 H new ATOM 0 HB3 SER L 9 4.419 -1.401 -3.856 1.00 0.00 H new ATOM 0 HG SER L 9 7.015 -0.273 -3.460 1.00 0.00 H new ATOM 4387 N HIS L 10 4.217 -4.284 -4.520 1.00 0.03 N ATOM 4388 CA HIS L 10 3.181 -5.262 -4.082 1.00 0.03 C ATOM 4389 C HIS L 10 3.751 -6.676 -4.134 1.00 0.03 C ATOM 4390 O HIS L 10 3.323 -7.554 -3.410 1.00 0.03 O ATOM 4391 CB HIS L 10 1.974 -5.167 -5.014 1.00 0.03 C ATOM 4392 CG HIS L 10 1.278 -3.852 -4.799 1.00 0.03 C ATOM 4393 ND1 HIS L 10 1.569 -3.026 -3.722 1.00 0.03 N ATOM 4394 CD2 HIS L 10 0.296 -3.206 -5.513 1.00 0.03 C ATOM 4395 CE1 HIS L 10 0.778 -1.941 -3.817 1.00 0.03 C ATOM 4396 NE2 HIS L 10 -0.019 -2.001 -4.891 1.00 0.03 N ATOM 0 H HIS L 10 4.221 -4.072 -5.518 1.00 0.03 H new ATOM 0 HA HIS L 10 2.877 -5.035 -3.060 1.00 0.03 H new ATOM 0 HB2 HIS L 10 2.295 -5.256 -6.052 1.00 0.03 H new ATOM 0 HB3 HIS L 10 1.286 -5.991 -4.821 1.00 0.03 H new ATOM 0 HD1 HIS L 10 2.257 -3.208 -2.991 1.00 0.03 H new ATOM 0 HD2 HIS L 10 -0.161 -3.577 -6.418 1.00 0.03 H new ATOM 0 HE1 HIS L 10 0.785 -1.122 -3.113 1.00 0.03 H new ATOM 4404 N LEU L 11 4.715 -6.904 -4.978 1.00 0.00 N ATOM 4405 CA LEU L 11 5.310 -8.265 -5.067 1.00 0.00 C ATOM 4406 C LEU L 11 5.916 -8.614 -3.712 1.00 0.00 C ATOM 4407 O LEU L 11 5.796 -9.719 -3.224 1.00 0.00 O ATOM 4408 CB LEU L 11 6.416 -8.296 -6.131 1.00 0.00 C ATOM 4409 CG LEU L 11 5.937 -7.667 -7.446 1.00 0.00 C ATOM 4410 CD1 LEU L 11 7.016 -7.847 -8.511 1.00 0.00 C ATOM 4411 CD2 LEU L 11 4.648 -8.347 -7.913 1.00 0.00 C ATOM 0 H LEU L 11 5.116 -6.210 -5.609 1.00 0.00 H new ATOM 0 HA LEU L 11 4.536 -8.982 -5.342 1.00 0.00 H new ATOM 0 HB2 LEU L 11 7.291 -7.759 -5.765 1.00 0.00 H new ATOM 0 HB3 LEU L 11 6.725 -9.326 -6.309 1.00 0.00 H new ATOM 0 HG LEU L 11 5.744 -6.606 -7.287 1.00 0.00 H new ATOM 0 HD11 LEU L 11 6.681 -7.402 -9.448 1.00 0.00 H new ATOM 0 HD12 LEU L 11 7.934 -7.358 -8.185 1.00 0.00 H new ATOM 0 HD13 LEU L 11 7.205 -8.910 -8.662 1.00 0.00 H new ATOM 0 HD21 LEU L 11 4.315 -7.894 -8.847 1.00 0.00 H new ATOM 0 HD22 LEU L 11 4.834 -9.409 -8.071 1.00 0.00 H new ATOM 0 HD23 LEU L 11 3.875 -8.223 -7.154 1.00 0.00 H new ATOM 4423 N VAL L 12 6.573 -7.670 -3.107 1.00 0.01 N ATOM 4424 CA VAL L 12 7.206 -7.920 -1.783 1.00 0.01 C ATOM 4425 C VAL L 12 6.128 -8.210 -0.740 1.00 0.01 C ATOM 4426 O VAL L 12 6.311 -9.021 0.145 1.00 0.01 O ATOM 4427 CB VAL L 12 8.017 -6.690 -1.358 1.00 0.01 C ATOM 4428 CG1 VAL L 12 9.237 -6.550 -2.267 1.00 0.01 C ATOM 4429 CG2 VAL L 12 7.155 -5.427 -1.470 1.00 0.01 C ATOM 0 H VAL L 12 6.701 -6.727 -3.474 1.00 0.01 H new ATOM 0 HA VAL L 12 7.870 -8.781 -1.861 1.00 0.01 H new ATOM 0 HB VAL L 12 8.337 -6.814 -0.324 1.00 0.01 H new ATOM 0 HG11 VAL L 12 9.816 -5.676 -1.967 1.00 0.01 H new ATOM 0 HG12 VAL L 12 9.857 -7.442 -2.183 1.00 0.01 H new ATOM 0 HG13 VAL L 12 8.909 -6.431 -3.300 1.00 0.01 H new ATOM 0 HG21 VAL L 12 7.740 -4.559 -1.166 1.00 0.01 H new ATOM 0 HG22 VAL L 12 6.827 -5.300 -2.502 1.00 0.01 H new ATOM 0 HG23 VAL L 12 6.284 -5.522 -0.822 1.00 0.01 H new ATOM 4439 N GLU L 13 5.002 -7.565 -0.837 1.00 0.05 N ATOM 4440 CA GLU L 13 3.918 -7.821 0.152 1.00 0.05 C ATOM 4441 C GLU L 13 3.553 -9.304 0.115 1.00 0.05 C ATOM 4442 O GLU L 13 3.372 -9.939 1.134 1.00 0.05 O ATOM 4443 CB GLU L 13 2.692 -6.983 -0.211 1.00 0.05 C ATOM 4444 CG GLU L 13 2.999 -5.503 0.020 1.00 0.05 C ATOM 4445 CD GLU L 13 1.918 -4.889 0.911 1.00 0.05 C ATOM 4446 OE1 GLU L 13 1.441 -5.582 1.798 1.00 0.05 O ATOM 4447 OE2 GLU L 13 1.585 -3.735 0.692 1.00 0.05 O ATOM 0 H GLU L 13 4.784 -6.874 -1.555 1.00 0.05 H new ATOM 0 HA GLU L 13 4.256 -7.550 1.152 1.00 0.05 H new ATOM 0 HB2 GLU L 13 2.419 -7.150 -1.253 1.00 0.05 H new ATOM 0 HB3 GLU L 13 1.838 -7.287 0.395 1.00 0.05 H new ATOM 0 HG2 GLU L 13 3.977 -5.393 0.489 1.00 0.05 H new ATOM 0 HG3 GLU L 13 3.041 -4.977 -0.934 1.00 0.05 H new ATOM 4454 N ALA L 14 3.453 -9.864 -1.055 1.00 0.01 N ATOM 4455 CA ALA L 14 3.111 -11.304 -1.160 1.00 0.01 C ATOM 4456 C ALA L 14 4.328 -12.143 -0.776 1.00 0.01 C ATOM 4457 O ALA L 14 4.210 -13.180 -0.159 1.00 0.01 O ATOM 4458 CB ALA L 14 2.718 -11.624 -2.600 1.00 0.01 C ATOM 0 H ALA L 14 3.594 -9.385 -1.944 1.00 0.01 H new ATOM 0 HA ALA L 14 2.281 -11.532 -0.491 1.00 0.01 H new ATOM 0 HB1 ALA L 14 2.466 -12.681 -2.682 1.00 0.01 H new ATOM 0 HB2 ALA L 14 1.855 -11.022 -2.884 1.00 0.01 H new ATOM 0 HB3 ALA L 14 3.552 -11.398 -3.264 1.00 0.01 H new ATOM 4464 N LEU L 15 5.494 -11.703 -1.151 1.00 0.00 N ATOM 4465 CA LEU L 15 6.723 -12.473 -0.829 1.00 0.00 C ATOM 4466 C LEU L 15 6.825 -12.706 0.677 1.00 0.00 C ATOM 4467 O LEU L 15 6.766 -13.829 1.135 1.00 0.00 O ATOM 4468 CB LEU L 15 7.955 -11.699 -1.300 1.00 0.00 C ATOM 4469 CG LEU L 15 8.146 -11.899 -2.803 1.00 0.00 C ATOM 4470 CD1 LEU L 15 9.346 -11.081 -3.278 1.00 0.00 C ATOM 4471 CD2 LEU L 15 8.397 -13.376 -3.092 1.00 0.00 C ATOM 0 H LEU L 15 5.649 -10.838 -1.669 1.00 0.00 H new ATOM 0 HA LEU L 15 6.673 -13.435 -1.338 1.00 0.00 H new ATOM 0 HB2 LEU L 15 7.837 -10.639 -1.077 1.00 0.00 H new ATOM 0 HB3 LEU L 15 8.839 -12.042 -0.763 1.00 0.00 H new ATOM 0 HG LEU L 15 7.249 -11.571 -3.328 1.00 0.00 H new ATOM 0 HD11 LEU L 15 9.482 -11.224 -4.350 1.00 0.00 H new ATOM 0 HD12 LEU L 15 9.171 -10.025 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU L 15 10.242 -11.410 -2.751 1.00 0.00 H new ATOM 0 HD21 LEU L 15 8.533 -13.519 -4.164 1.00 0.00 H new ATOM 0 HD22 LEU L 15 9.294 -13.702 -2.565 1.00 0.00 H new ATOM 0 HD23 LEU L 15 7.543 -13.963 -2.753 1.00 0.00 H new ATOM 4483 N TYR L 16 7.006 -11.666 1.458 1.00 0.02 N ATOM 4484 CA TYR L 16 7.142 -11.880 2.930 1.00 0.02 C ATOM 4485 C TYR L 16 5.830 -12.418 3.526 1.00 0.02 C ATOM 4486 O TYR L 16 5.807 -12.886 4.647 1.00 0.02 O ATOM 4487 CB TYR L 16 7.639 -10.594 3.630 1.00 0.02 C ATOM 4488 CG TYR L 16 6.533 -9.613 3.941 1.00 0.02 C ATOM 4489 CD1 TYR L 16 5.357 -9.526 3.094 1.00 0.02 C ATOM 4490 CD2 TYR L 16 6.668 -8.738 5.095 1.00 0.02 C ATOM 4491 CE1 TYR L 16 4.311 -8.561 3.402 1.00 0.02 C ATOM 4492 CE2 TYR L 16 5.624 -7.779 5.404 1.00 0.02 C ATOM 4493 CZ TYR L 16 4.444 -7.686 4.559 1.00 0.02 C ATOM 4494 OH TYR L 16 3.453 -6.771 4.852 1.00 0.02 O ATOM 0 H TYR L 16 7.064 -10.697 1.145 1.00 0.02 H new ATOM 0 HA TYR L 16 7.901 -12.642 3.107 1.00 0.02 H new ATOM 0 HB2 TYR L 16 8.144 -10.866 4.557 1.00 0.02 H new ATOM 0 HB3 TYR L 16 8.379 -10.107 2.995 1.00 0.02 H new ATOM 0 HD1 TYR L 16 5.258 -10.176 2.237 1.00 0.02 H new ATOM 0 HD2 TYR L 16 7.545 -8.802 5.722 1.00 0.02 H new ATOM 0 HE1 TYR L 16 3.436 -8.494 2.772 1.00 0.02 H new ATOM 0 HE2 TYR L 16 5.723 -7.133 6.264 1.00 0.02 H new ATOM 0 HH TYR L 16 3.099 -6.948 5.749 1.00 0.02 H new ATOM 4504 N LEU L 17 4.757 -12.412 2.775 1.00 0.11 N ATOM 4505 CA LEU L 17 3.496 -12.987 3.304 1.00 0.11 C ATOM 4506 C LEU L 17 3.586 -14.501 3.117 1.00 0.11 C ATOM 4507 O LEU L 17 3.294 -15.273 4.007 1.00 0.11 O ATOM 4508 CB LEU L 17 2.303 -12.439 2.525 1.00 0.11 C ATOM 4509 CG LEU L 17 1.014 -12.971 3.143 1.00 0.11 C ATOM 4510 CD1 LEU L 17 0.467 -11.950 4.141 1.00 0.11 C ATOM 4511 CD2 LEU L 17 -0.018 -13.208 2.041 1.00 0.11 C ATOM 0 H LEU L 17 4.705 -12.036 1.828 1.00 0.11 H new ATOM 0 HA LEU L 17 3.361 -12.728 4.354 1.00 0.11 H new ATOM 0 HB2 LEU L 17 2.308 -11.349 2.547 1.00 0.11 H new ATOM 0 HB3 LEU L 17 2.369 -12.737 1.479 1.00 0.11 H new ATOM 0 HG LEU L 17 1.219 -13.909 3.659 1.00 0.11 H new ATOM 0 HD11 LEU L 17 -0.454 -12.330 4.583 1.00 0.11 H new ATOM 0 HD12 LEU L 17 1.203 -11.779 4.927 1.00 0.11 H new ATOM 0 HD13 LEU L 17 0.262 -11.012 3.626 1.00 0.11 H new ATOM 0 HD21 LEU L 17 -0.940 -13.588 2.481 1.00 0.11 H new ATOM 0 HD22 LEU L 17 -0.222 -12.269 1.526 1.00 0.11 H new ATOM 0 HD23 LEU L 17 0.371 -13.936 1.329 1.00 0.11 H new ATOM 4523 N VAL L 18 4.030 -14.921 1.963 1.00 0.14 N ATOM 4524 CA VAL L 18 4.188 -16.377 1.702 1.00 0.14 C ATOM 4525 C VAL L 18 5.328 -16.898 2.573 1.00 0.14 C ATOM 4526 O VAL L 18 5.245 -17.954 3.164 1.00 0.14 O ATOM 4527 CB VAL L 18 4.543 -16.590 0.228 1.00 0.14 C ATOM 4528 CG1 VAL L 18 4.755 -18.080 -0.040 1.00 0.14 C ATOM 4529 CG2 VAL L 18 3.402 -16.074 -0.650 1.00 0.14 C ATOM 0 H VAL L 18 4.291 -14.313 1.187 1.00 0.14 H new ATOM 0 HA VAL L 18 3.263 -16.905 1.932 1.00 0.14 H new ATOM 0 HB VAL L 18 5.459 -16.046 -0.005 1.00 0.14 H new ATOM 0 HG11 VAL L 18 5.008 -18.229 -1.090 1.00 0.14 H new ATOM 0 HG12 VAL L 18 5.568 -18.450 0.585 1.00 0.14 H new ATOM 0 HG13 VAL L 18 3.841 -18.625 0.194 1.00 0.14 H new ATOM 0 HG21 VAL L 18 3.654 -16.225 -1.700 1.00 0.14 H new ATOM 0 HG22 VAL L 18 2.487 -16.618 -0.414 1.00 0.14 H new ATOM 0 HG23 VAL L 18 3.251 -15.011 -0.463 1.00 0.14 H new ATOM 4539 N CYS L 19 6.392 -16.154 2.653 1.00 0.05 N ATOM 4540 CA CYS L 19 7.548 -16.583 3.483 1.00 0.05 C ATOM 4541 C CYS L 19 7.154 -16.532 4.957 1.00 0.05 C ATOM 4542 O CYS L 19 7.706 -17.231 5.782 1.00 0.05 O ATOM 4543 CB CYS L 19 8.717 -15.630 3.243 1.00 0.05 C ATOM 4544 SG CYS L 19 9.464 -15.990 1.636 1.00 0.05 S ATOM 0 H CYS L 19 6.512 -15.261 2.176 1.00 0.05 H new ATOM 0 HA CYS L 19 7.838 -17.599 3.215 1.00 0.05 H new ATOM 0 HB2 CYS L 19 8.370 -14.597 3.272 1.00 0.05 H new ATOM 0 HB3 CYS L 19 9.459 -15.740 4.034 1.00 0.05 H new ATOM 4549 N GLY L 20 6.202 -15.707 5.294 1.00 0.15 N ATOM 4550 CA GLY L 20 5.773 -15.610 6.715 1.00 0.15 C ATOM 4551 C GLY L 20 6.880 -14.956 7.538 1.00 0.15 C ATOM 4552 O GLY L 20 7.040 -13.752 7.537 1.00 0.15 O ATOM 0 H GLY L 20 5.703 -15.097 4.647 1.00 0.15 H new ATOM 0 HA2 GLY L 20 4.856 -15.026 6.790 1.00 0.15 H new ATOM 0 HA3 GLY L 20 5.551 -16.602 7.108 1.00 0.15 H new ATOM 4556 N GLU L 21 7.646 -15.737 8.242 1.00 0.43 N ATOM 4557 CA GLU L 21 8.740 -15.158 9.066 1.00 0.43 C ATOM 4558 C GLU L 21 10.054 -15.230 8.292 1.00 0.43 C ATOM 4559 O GLU L 21 10.966 -14.464 8.529 1.00 0.43 O ATOM 4560 CB GLU L 21 8.871 -15.950 10.366 1.00 0.43 C ATOM 4561 CG GLU L 21 7.569 -15.838 11.163 1.00 0.43 C ATOM 4562 CD GLU L 21 7.454 -17.027 12.121 1.00 0.43 C ATOM 4563 OE1 GLU L 21 8.163 -17.030 13.117 1.00 0.43 O ATOM 4564 OE2 GLU L 21 6.661 -17.915 11.842 1.00 0.43 O ATOM 0 H GLU L 21 7.562 -16.753 8.283 1.00 0.43 H new ATOM 0 HA GLU L 21 8.510 -14.117 9.295 1.00 0.43 H new ATOM 0 HB2 GLU L 21 9.088 -16.996 10.147 1.00 0.43 H new ATOM 0 HB3 GLU L 21 9.705 -15.568 10.955 1.00 0.43 H new ATOM 0 HG2 GLU L 21 7.552 -14.903 11.723 1.00 0.43 H new ATOM 0 HG3 GLU L 21 6.716 -15.819 10.485 1.00 0.43 H new ATOM 4571 N ARG L 22 10.163 -16.145 7.367 1.00 0.33 N ATOM 4572 CA ARG L 22 11.424 -16.256 6.584 1.00 0.33 C ATOM 4573 C ARG L 22 11.670 -14.940 5.847 1.00 0.33 C ATOM 4574 O ARG L 22 10.764 -14.159 5.633 1.00 0.33 O ATOM 4575 CB ARG L 22 11.307 -17.400 5.571 1.00 0.33 C ATOM 4576 CG ARG L 22 10.700 -18.631 6.252 1.00 0.33 C ATOM 4577 CD ARG L 22 11.587 -19.853 5.998 1.00 0.33 C ATOM 4578 NE ARG L 22 10.918 -20.753 5.017 1.00 0.33 N ATOM 4579 CZ ARG L 22 11.361 -20.821 3.789 1.00 0.33 C ATOM 4580 NH1 ARG L 22 12.634 -21.017 3.564 1.00 0.33 N ATOM 4581 NH2 ARG L 22 10.531 -20.693 2.788 1.00 0.33 N ATOM 0 H ARG L 22 9.436 -16.817 7.121 1.00 0.33 H new ATOM 0 HA ARG L 22 12.256 -16.462 7.257 1.00 0.33 H new ATOM 0 HB2 ARG L 22 10.684 -17.093 4.731 1.00 0.33 H new ATOM 0 HB3 ARG L 22 12.290 -17.643 5.167 1.00 0.33 H new ATOM 0 HG2 ARG L 22 10.605 -18.455 7.324 1.00 0.33 H new ATOM 0 HG3 ARG L 22 9.696 -18.813 5.868 1.00 0.33 H new ATOM 0 HD2 ARG L 22 12.558 -19.538 5.616 1.00 0.33 H new ATOM 0 HD3 ARG L 22 11.769 -20.385 6.932 1.00 0.33 H new ATOM 0 HE ARG L 22 10.116 -21.315 5.303 1.00 0.33 H new ATOM 0 HH11 ARG L 22 13.281 -21.117 4.346 1.00 0.33 H new ATOM 0 HH12 ARG L 22 12.980 -21.070 2.606 1.00 0.33 H new ATOM 0 HH21 ARG L 22 9.538 -20.540 2.965 1.00 0.33 H new ATOM 0 HH22 ARG L 22 10.876 -20.746 1.830 1.00 0.33 H new ATOM 4595 N GLY L 23 12.886 -14.684 5.456 1.00 0.01 N ATOM 4596 CA GLY L 23 13.181 -13.414 4.734 1.00 0.01 C ATOM 4597 C GLY L 23 13.228 -13.681 3.231 1.00 0.01 C ATOM 4598 O GLY L 23 13.017 -14.789 2.782 1.00 0.01 O ATOM 0 H GLY L 23 13.688 -15.297 5.604 1.00 0.01 H new ATOM 0 HA2 GLY L 23 12.417 -12.670 4.958 1.00 0.01 H new ATOM 0 HA3 GLY L 23 14.133 -13.004 5.071 1.00 0.01 H new ATOM 4602 N PHE L 24 13.507 -12.675 2.446 1.00 0.01 N ATOM 4603 CA PHE L 24 13.569 -12.885 0.975 1.00 0.01 C ATOM 4604 C PHE L 24 14.461 -11.815 0.343 1.00 0.01 C ATOM 4605 O PHE L 24 14.494 -10.684 0.782 1.00 0.01 O ATOM 4606 CB PHE L 24 12.152 -12.821 0.380 1.00 0.01 C ATOM 4607 CG PHE L 24 11.570 -11.435 0.537 1.00 0.01 C ATOM 4608 CD1 PHE L 24 11.075 -10.992 1.828 1.00 0.01 C ATOM 4609 CD2 PHE L 24 11.511 -10.545 -0.611 1.00 0.01 C ATOM 4610 CE1 PHE L 24 10.518 -9.654 1.972 1.00 0.01 C ATOM 4611 CE2 PHE L 24 10.954 -9.209 -0.467 1.00 0.01 C ATOM 4612 CZ PHE L 24 10.457 -8.764 0.824 1.00 0.01 C ATOM 0 H PHE L 24 13.693 -11.723 2.760 1.00 0.01 H new ATOM 0 HA PHE L 24 13.992 -13.867 0.764 1.00 0.01 H new ATOM 0 HB2 PHE L 24 12.183 -13.091 -0.676 1.00 0.01 H new ATOM 0 HB3 PHE L 24 11.510 -13.549 0.876 1.00 0.01 H new ATOM 0 HD1 PHE L 24 11.120 -11.654 2.680 1.00 0.01 H new ATOM 0 HD2 PHE L 24 11.881 -10.876 -1.570 1.00 0.01 H new ATOM 0 HE1 PHE L 24 10.150 -9.323 2.932 1.00 0.01 H new ATOM 0 HE2 PHE L 24 10.910 -8.548 -1.320 1.00 0.01 H new ATOM 0 HZ PHE L 24 10.042 -7.772 0.931 1.00 0.01 H new ATOM 4622 N PHE L 25 15.167 -12.159 -0.691 1.00 0.32 N ATOM 4623 CA PHE L 25 16.040 -11.152 -1.353 1.00 0.32 C ATOM 4624 C PHE L 25 15.306 -10.572 -2.560 1.00 0.32 C ATOM 4625 O PHE L 25 14.942 -11.276 -3.477 1.00 0.32 O ATOM 4626 CB PHE L 25 17.362 -11.788 -1.801 1.00 0.32 C ATOM 4627 CG PHE L 25 17.108 -13.136 -2.422 1.00 0.32 C ATOM 4628 CD1 PHE L 25 16.803 -13.240 -3.841 1.00 0.32 C ATOM 4629 CD2 PHE L 25 17.162 -14.334 -1.600 1.00 0.32 C ATOM 4630 CE1 PHE L 25 16.554 -14.543 -4.437 1.00 0.32 C ATOM 4631 CE2 PHE L 25 16.912 -15.638 -2.196 1.00 0.32 C ATOM 4632 CZ PHE L 25 16.608 -15.742 -3.615 1.00 0.32 C ATOM 0 H PHE L 25 15.180 -13.090 -1.108 1.00 0.32 H new ATOM 0 HA PHE L 25 16.269 -10.358 -0.642 1.00 0.32 H new ATOM 0 HB2 PHE L 25 17.862 -11.137 -2.519 1.00 0.32 H new ATOM 0 HB3 PHE L 25 18.031 -11.893 -0.947 1.00 0.32 H new ATOM 0 HD1 PHE L 25 16.762 -12.350 -4.451 1.00 0.32 H new ATOM 0 HD2 PHE L 25 17.388 -14.256 -0.547 1.00 0.32 H new ATOM 0 HE1 PHE L 25 16.329 -14.621 -5.490 1.00 0.32 H new ATOM 0 HE2 PHE L 25 16.952 -16.528 -1.585 1.00 0.32 H new ATOM 0 HZ PHE L 25 16.422 -16.709 -4.058 1.00 0.32 H new ATOM 4642 N TYR L 26 15.081 -9.291 -2.555 1.00 0.00 N ATOM 4643 CA TYR L 26 14.366 -8.648 -3.686 1.00 0.00 C ATOM 4644 C TYR L 26 15.349 -7.818 -4.510 1.00 0.00 C ATOM 4645 O TYR L 26 15.877 -6.828 -4.052 1.00 0.00 O ATOM 4646 CB TYR L 26 13.274 -7.738 -3.129 1.00 0.00 C ATOM 4647 CG TYR L 26 12.406 -7.232 -4.252 1.00 0.00 C ATOM 4648 CD1 TYR L 26 11.295 -8.037 -4.732 1.00 0.00 C ATOM 4649 CD2 TYR L 26 12.675 -5.934 -4.850 1.00 0.00 C ATOM 4650 CE1 TYR L 26 10.453 -7.546 -5.810 1.00 0.00 C ATOM 4651 CE2 TYR L 26 11.834 -5.443 -5.930 1.00 0.00 C ATOM 4652 CZ TYR L 26 10.722 -6.248 -6.410 1.00 0.00 C ATOM 4653 OH TYR L 26 9.922 -5.782 -7.432 1.00 0.00 O ATOM 0 H TYR L 26 15.365 -8.657 -1.808 1.00 0.00 H new ATOM 0 HA TYR L 26 13.922 -9.413 -4.323 1.00 0.00 H new ATOM 0 HB2 TYR L 26 12.667 -8.284 -2.406 1.00 0.00 H new ATOM 0 HB3 TYR L 26 13.724 -6.899 -2.599 1.00 0.00 H new ATOM 0 HD1 TYR L 26 11.095 -9.001 -4.287 1.00 0.00 H new ATOM 0 HD2 TYR L 26 13.499 -5.335 -4.492 1.00 0.00 H new ATOM 0 HE1 TYR L 26 9.628 -8.145 -6.166 1.00 0.00 H new ATOM 0 HE2 TYR L 26 12.035 -4.480 -6.376 1.00 0.00 H new ATOM 0 HH TYR L 26 10.478 -5.338 -8.106 1.00 0.00 H new ATOM 4663 N THR L 27 15.595 -8.215 -5.725 1.00 0.22 N ATOM 4664 CA THR L 27 16.537 -7.452 -6.584 1.00 0.22 C ATOM 4665 C THR L 27 15.823 -7.065 -7.891 1.00 0.22 C ATOM 4666 O THR L 27 15.696 -7.896 -8.766 1.00 0.22 O ATOM 4667 CB THR L 27 17.755 -8.319 -6.900 1.00 0.22 C ATOM 4668 OG1 THR L 27 18.330 -8.784 -5.687 1.00 0.22 O ATOM 4669 CG2 THR L 27 18.786 -7.494 -7.666 1.00 0.22 C ATOM 0 H THR L 27 15.182 -9.039 -6.162 1.00 0.22 H new ATOM 0 HA THR L 27 16.864 -6.551 -6.065 1.00 0.22 H new ATOM 0 HB THR L 27 17.447 -9.169 -7.509 1.00 0.22 H new ATOM 0 HG1 THR L 27 19.110 -9.342 -5.888 1.00 0.22 H new ATOM 0 HG21 THR L 27 19.654 -8.114 -7.890 1.00 0.22 H new ATOM 0 HG22 THR L 27 18.346 -7.135 -8.596 1.00 0.22 H new ATOM 0 HG23 THR L 27 19.095 -6.643 -7.059 1.00 0.22 H new ATOM 4677 N PRO L 28 15.358 -5.825 -8.008 1.00 0.04 N ATOM 4678 CA PRO L 28 14.650 -5.383 -9.221 1.00 0.04 C ATOM 4679 C PRO L 28 15.640 -5.106 -10.358 1.00 0.04 C ATOM 4680 O PRO L 28 15.264 -5.036 -11.511 1.00 0.04 O ATOM 4681 CB PRO L 28 13.937 -4.102 -8.785 1.00 0.04 C ATOM 4682 CG PRO L 28 14.700 -3.571 -7.552 1.00 0.04 C ATOM 4683 CD PRO L 28 15.492 -4.758 -6.980 1.00 0.04 C ATOM 0 HA PRO L 28 13.959 -6.134 -9.605 1.00 0.04 H new ATOM 0 HB2 PRO L 28 13.938 -3.365 -9.588 1.00 0.04 H new ATOM 0 HB3 PRO L 28 12.894 -4.303 -8.539 1.00 0.04 H new ATOM 0 HG2 PRO L 28 15.369 -2.757 -7.832 1.00 0.04 H new ATOM 0 HG3 PRO L 28 14.008 -3.174 -6.810 1.00 0.04 H new ATOM 0 HD2 PRO L 28 16.537 -4.495 -6.815 1.00 0.04 H new ATOM 0 HD3 PRO L 28 15.088 -5.079 -6.020 1.00 0.04 H new ATOM 4691 N LYS L 29 16.898 -4.957 -10.052 1.00 0.42 N ATOM 4692 CA LYS L 29 17.893 -4.698 -11.130 1.00 0.42 C ATOM 4693 C LYS L 29 18.063 -5.968 -11.964 1.00 0.42 C ATOM 4694 O LYS L 29 19.055 -6.666 -11.857 1.00 0.42 O ATOM 4695 CB LYS L 29 19.236 -4.305 -10.510 1.00 0.42 C ATOM 4696 CG LYS L 29 19.860 -3.169 -11.326 1.00 0.42 C ATOM 4697 CD LYS L 29 20.452 -3.734 -12.620 1.00 0.42 C ATOM 4698 CE LYS L 29 21.730 -4.514 -12.300 1.00 0.42 C ATOM 4699 NZ LYS L 29 22.882 -3.902 -13.025 1.00 0.42 N ATOM 0 H LYS L 29 17.279 -5.003 -9.107 1.00 0.42 H new ATOM 0 HA LYS L 29 17.544 -3.884 -11.765 1.00 0.42 H new ATOM 0 HB2 LYS L 29 19.093 -3.989 -9.476 1.00 0.42 H new ATOM 0 HB3 LYS L 29 19.906 -5.165 -10.491 1.00 0.42 H new ATOM 0 HG2 LYS L 29 19.106 -2.416 -11.557 1.00 0.42 H new ATOM 0 HG3 LYS L 29 20.637 -2.674 -10.744 1.00 0.42 H new ATOM 0 HD2 LYS L 29 19.728 -4.386 -13.109 1.00 0.42 H new ATOM 0 HD3 LYS L 29 20.672 -2.924 -13.315 1.00 0.42 H new ATOM 0 HE2 LYS L 29 21.916 -4.504 -11.226 1.00 0.42 H new ATOM 0 HE3 LYS L 29 21.615 -5.557 -12.593 1.00 0.42 H new ATOM 0 HZ1 LYS L 29 23.750 -4.432 -12.808 1.00 0.42 H new ATOM 0 HZ2 LYS L 29 22.704 -3.934 -14.049 1.00 0.42 H new ATOM 0 HZ3 LYS L 29 22.996 -2.913 -12.724 1.00 0.42 H new ATOM 4713 N THR L 30 17.101 -6.277 -12.793 1.00 0.43 N ATOM 4714 CA THR L 30 17.205 -7.507 -13.634 1.00 0.43 C ATOM 4715 C THR L 30 18.273 -7.299 -14.715 1.00 0.43 C ATOM 4716 O THR L 30 17.981 -6.617 -15.687 1.00 0.43 O ATOM 4717 CB THR L 30 15.853 -7.790 -14.300 1.00 0.43 C ATOM 4718 OG1 THR L 30 14.832 -7.823 -13.308 1.00 0.43 O ATOM 4719 CG2 THR L 30 15.908 -9.140 -15.021 1.00 0.43 C ATOM 4720 OXT THR L 30 19.366 -7.822 -14.549 1.00 0.43 O ATOM 0 H THR L 30 16.249 -5.732 -12.924 1.00 0.43 H new ATOM 0 HA THR L 30 17.483 -8.353 -13.005 1.00 0.43 H new ATOM 0 HB THR L 30 15.634 -7.003 -15.022 1.00 0.43 H new ATOM 0 HG1 THR L 30 13.968 -8.002 -13.734 1.00 0.43 H new ATOM 0 HG21 THR L 30 14.946 -9.339 -15.494 1.00 0.43 H new ATOM 0 HG22 THR L 30 16.688 -9.115 -15.782 1.00 0.43 H new ATOM 0 HG23 THR L 30 16.129 -9.928 -14.301 1.00 0.43 H new TER 4728 THR L 30 HETATM 4729 C1 IPH A 22 -8.684 8.374 7.635 1.00 0.01 C HETATM 4730 C2 IPH A 22 -7.991 7.422 8.488 1.00 0.01 C HETATM 4731 C3 IPH A 22 -7.382 6.237 7.908 1.00 0.01 C HETATM 4732 C4 IPH A 22 -7.465 6.002 6.475 1.00 0.01 C HETATM 4733 C5 IPH A 22 -8.157 6.952 5.621 1.00 0.01 C HETATM 4734 C6 IPH A 22 -8.767 8.140 6.200 1.00 0.01 C HETATM 4735 O1 IPH A 22 -9.264 9.499 8.186 1.00 0.01 O HETATM 0 HO1 IPH A 22 -10.102 9.697 7.719 1.00 0.01 H new HETATM 0 H6 IPH A 22 -9.286 8.854 5.560 1.00 0.01 H new HETATM 0 H5 IPH A 22 -8.219 6.775 4.547 1.00 0.01 H new HETATM 0 H4 IPH A 22 -7.008 5.113 6.042 1.00 0.01 H new HETATM 0 H3 IPH A 22 -6.862 5.523 8.548 1.00 0.01 H new HETATM 0 H2 IPH A 22 -7.928 7.597 9.562 1.00 0.01 H new HETATM 4742 C1 IPH C 22 8.696 8.374 -7.624 1.00 0.01 C HETATM 4743 C2 IPH C 22 8.004 7.421 -8.477 1.00 0.01 C HETATM 4744 C3 IPH C 22 7.401 6.232 -7.897 1.00 0.01 C HETATM 4745 C4 IPH C 22 7.490 5.995 -6.465 1.00 0.01 C HETATM 4746 C5 IPH C 22 8.180 6.946 -5.613 1.00 0.01 C HETATM 4747 C6 IPH C 22 8.784 8.137 -6.191 1.00 0.01 C HETATM 4748 O1 IPH C 22 9.271 9.499 -8.174 1.00 0.01 O HETATM 0 HO1 IPH C 22 10.133 9.671 -7.740 1.00 0.01 H new HETATM 0 H6 IPH C 22 9.302 8.851 -5.551 1.00 0.01 H new HETATM 0 H5 IPH C 22 8.246 6.768 -4.540 1.00 0.01 H new HETATM 0 H4 IPH C 22 7.038 5.103 -6.031 1.00 0.01 H new HETATM 0 H3 IPH C 22 6.882 5.518 -8.536 1.00 0.01 H new HETATM 0 H2 IPH C 22 7.937 7.598 -9.550 1.00 0.01 H new HETATM 4755 C1 IPH E 22 -2.886 -11.739 7.636 1.00 0.01 C HETATM 4756 C2 IPH E 22 -2.408 -10.664 8.489 1.00 0.01 C HETATM 4757 C3 IPH E 22 -1.681 -9.546 7.910 1.00 0.01 C HETATM 4758 C4 IPH E 22 -1.433 -9.503 6.478 1.00 0.01 C HETATM 4759 C5 IPH E 22 -1.912 -10.576 5.624 1.00 0.01 C HETATM 4760 C6 IPH E 22 -2.640 -11.696 6.203 1.00 0.01 C HETATM 4761 O1 IPH E 22 -3.575 -12.799 8.187 1.00 0.01 O HETATM 0 HO1 IPH E 22 -3.416 -13.606 7.654 1.00 0.01 H new HETATM 0 H6 IPH E 22 -3.000 -12.502 5.563 1.00 0.01 H new HETATM 0 H5 IPH E 22 -1.727 -10.543 4.550 1.00 0.01 H new HETATM 0 H4 IPH E 22 -0.887 -8.665 6.045 1.00 0.01 H new HETATM 0 H3 IPH E 22 -1.322 -8.740 8.550 1.00 0.01 H new HETATM 0 H2 IPH E 22 -2.594 -10.696 9.562 1.00 0.01 H new HETATM 4768 C1 IPH G 22 -11.619 3.350 -7.567 1.00 0.01 C HETATM 4769 C2 IPH G 22 -10.450 3.226 -8.423 1.00 0.01 C HETATM 4770 C3 IPH G 22 -9.117 3.291 -7.846 1.00 0.01 C HETATM 4771 C4 IPH G 22 -8.953 3.480 -6.413 1.00 0.01 C HETATM 4772 C5 IPH G 22 -10.121 3.603 -5.559 1.00 0.01 C HETATM 4773 C6 IPH G 22 -11.455 3.538 -6.134 1.00 0.01 C HETATM 4774 O1 IPH G 22 -12.883 3.292 -8.115 1.00 0.01 O HETATM 0 HO1 IPH G 22 -13.460 3.953 -7.678 1.00 0.01 H new HETATM 0 H6 IPH G 22 -12.331 3.630 -5.492 1.00 0.01 H new HETATM 0 H5 IPH G 22 -9.998 3.744 -4.485 1.00 0.01 H new HETATM 0 H4 IPH G 22 -7.954 3.529 -5.980 1.00 0.01 H new HETATM 0 H3 IPH G 22 -8.240 3.198 -8.487 1.00 0.01 H new HETATM 0 H2 IPH G 22 -10.573 3.084 -9.497 1.00 0.01 H new HETATM 4781 C1 IPH I 22 11.633 3.374 7.574 1.00 0.01 C HETATM 4782 C2 IPH I 22 10.468 3.259 8.436 1.00 0.01 C HETATM 4783 C3 IPH I 22 9.132 3.328 7.866 1.00 0.01 C HETATM 4784 C4 IPH I 22 8.961 3.513 6.433 1.00 0.01 C HETATM 4785 C5 IPH I 22 10.125 3.628 5.571 1.00 0.01 C HETATM 4786 C6 IPH I 22 11.462 3.559 6.140 1.00 0.01 C HETATM 4787 O1 IPH I 22 12.899 3.310 8.115 1.00 0.01 O HETATM 0 HO1 IPH I 22 13.477 3.966 7.673 1.00 0.01 H new HETATM 0 H6 IPH I 22 12.335 3.646 5.493 1.00 0.01 H new HETATM 0 H5 IPH I 22 9.996 3.766 4.497 1.00 0.01 H new HETATM 0 H4 IPH I 22 7.959 3.565 6.006 1.00 0.01 H new HETATM 0 H3 IPH I 22 8.259 3.241 8.512 1.00 0.01 H new HETATM 0 H2 IPH I 22 10.596 3.121 9.510 1.00 0.01 H new HETATM 4794 C1 IPH K 22 2.888 -11.743 -7.620 1.00 0.01 C HETATM 4795 C2 IPH K 22 2.405 -10.672 -8.477 1.00 0.01 C HETATM 4796 C3 IPH K 22 1.682 -9.551 -7.900 1.00 0.01 C HETATM 4797 C4 IPH K 22 1.441 -9.500 -6.466 1.00 0.01 C HETATM 4798 C5 IPH K 22 1.924 -10.569 -5.610 1.00 0.01 C HETATM 4799 C6 IPH K 22 2.648 -11.693 -6.186 1.00 0.01 C HETATM 4800 O1 IPH K 22 3.570 -12.808 -8.168 1.00 0.01 O HETATM 0 HO1 IPH K 22 3.478 -13.590 -7.585 1.00 0.01 H new HETATM 0 H6 IPH K 22 3.010 -12.496 -5.544 1.00 0.01 H new HETATM 0 H5 IPH K 22 1.744 -10.530 -4.536 1.00 0.01 H new HETATM 0 H4 IPH K 22 0.898 -8.659 -6.034 1.00 0.01 H new HETATM 0 H3 IPH K 22 1.320 -8.748 -8.542 1.00 0.01 H new HETATM 0 H2 IPH K 22 2.585 -10.710 -9.551 1.00 0.01 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