USER MOD reduce.3.24.130724 H: found=0, std=0, add=2334, rem=0, adj=105 USER MOD reduce.3.24.130724 removed 2322 hydrogens (36 hets) HEADER HORMONE/GROWTH FACTOR 29-DEC-98 5AIY TITLE R6 HUMAN INSULIN HEXAMER (SYMMETRIC), NMR, 'RED' 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 AUTHOR S.I.O'DONOGHUE,X.CHANG,R.ABSEHER,M.NILGES,J.J.LED REVDAT 3 24-FEB-09 5AIY 1 VERSN REVDAT 2 01-APR-03 5AIY 1 JRNL REVDAT 1 28-FEB-00 5AIY 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 5AIY 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 RCSB007016. 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 ILE A 2 -42.64 -130.31 REMARK 500 SER A 9 36.99 -155.24 REMARK 500 ILE A 10 138.86 64.22 REMARK 500 VAL B 2 -159.37 43.16 REMARK 500 ARG B 22 177.43 -59.39 REMARK 500 LYS B 29 75.56 -159.99 REMARK 500 ILE C 2 -42.58 -130.45 REMARK 500 SER C 9 37.12 -155.02 REMARK 500 ILE C 10 139.61 63.99 REMARK 500 VAL D 2 -159.35 43.20 REMARK 500 ARG D 22 177.53 -59.03 REMARK 500 LYS D 29 75.64 -160.02 REMARK 500 ILE E 2 -42.49 -130.60 REMARK 500 SER E 9 37.10 -155.07 REMARK 500 ILE E 10 139.10 64.07 REMARK 500 VAL F 2 -158.69 43.10 REMARK 500 ARG F 22 177.14 -59.16 REMARK 500 LYS F 29 75.31 -159.84 REMARK 500 ILE G 2 -42.46 -130.29 REMARK 500 SER G 9 37.12 -154.91 REMARK 500 ILE G 10 139.83 63.99 REMARK 500 VAL H 2 -159.45 43.09 REMARK 500 ARG H 22 177.33 -59.34 REMARK 500 LYS H 29 75.30 -160.31 REMARK 500 ILE I 2 -42.33 -130.41 REMARK 500 SER I 9 37.10 -154.91 REMARK 500 ILE I 10 139.29 64.13 REMARK 500 VAL J 2 -159.52 43.31 REMARK 500 ARG J 22 177.46 -59.07 REMARK 500 LYS J 29 75.31 -160.18 REMARK 500 ILE K 2 -42.47 -130.38 REMARK 500 SER K 9 36.63 -155.04 REMARK 500 ILE K 10 138.90 64.57 REMARK 500 VAL L 2 -158.77 43.04 REMARK 500 ARG L 22 177.58 -59.07 REMARK 500 LYS L 29 75.48 -160.06 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 0.27 SIDE_CHAIN REMARK 500 ARG D 22 0.27 SIDE_CHAIN REMARK 500 ARG F 22 0.27 SIDE_CHAIN REMARK 500 ARG H 22 0.27 SIDE_CHAIN REMARK 500 ARG J 22 0.27 SIDE_CHAIN REMARK 500 ARG L 22 0.27 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: 4AIY RELATED DB: PDB REMARK 900 STRUCTURES IN THE ENSEMBLE CLUSTER INTO TWO DISTINCT REMARK 900 SUBSTATES, ONE IS DENOTED 'GREEN' IN 4AIY DBREF 5AIY A 1 21 UNP P01308 INS_HUMAN 90 110 DBREF 5AIY B 1 30 UNP P01308 INS_HUMAN 25 54 DBREF 5AIY C 1 21 UNP P01308 INS_HUMAN 90 110 DBREF 5AIY D 1 30 UNP P01308 INS_HUMAN 25 54 DBREF 5AIY E 1 21 UNP P01308 INS_HUMAN 90 110 DBREF 5AIY F 1 30 UNP P01308 INS_HUMAN 25 54 DBREF 5AIY G 1 21 UNP P01308 INS_HUMAN 90 110 DBREF 5AIY H 1 30 UNP P01308 INS_HUMAN 25 54 DBREF 5AIY I 1 21 UNP P01308 INS_HUMAN 90 110 DBREF 5AIY J 1 30 UNP P01308 INS_HUMAN 25 54 DBREF 5AIY K 1 21 UNP P01308 INS_HUMAN 90 110 DBREF 5AIY L 1 30 UNP P01308 INS_HUMAN 25 54 SEQRES 1 A 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU SEQRES 2 A 21 TYR GLN LEU GLU ASN TYR CYS ASN SEQRES 1 B 30 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU SEQRES 2 B 30 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR SEQRES 3 B 30 THR PRO LYS THR SEQRES 1 C 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU SEQRES 2 C 21 TYR GLN LEU GLU ASN TYR CYS ASN SEQRES 1 D 30 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU SEQRES 2 D 30 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR SEQRES 3 D 30 THR PRO LYS THR SEQRES 1 E 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU SEQRES 2 E 21 TYR GLN LEU GLU ASN TYR CYS ASN SEQRES 1 F 30 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU SEQRES 2 F 30 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR SEQRES 3 F 30 THR PRO LYS THR SEQRES 1 G 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU SEQRES 2 G 21 TYR GLN LEU GLU ASN TYR CYS ASN SEQRES 1 H 30 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU SEQRES 2 H 30 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR SEQRES 3 H 30 THR PRO LYS THR SEQRES 1 I 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU SEQRES 2 I 21 TYR GLN LEU GLU ASN TYR CYS ASN SEQRES 1 J 30 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU SEQRES 2 J 30 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR SEQRES 3 J 30 THR PRO LYS THR SEQRES 1 K 21 GLY ILE VAL GLU GLN CYS CYS THR SER ILE CYS SER LEU SEQRES 2 K 21 TYR GLN LEU GLU ASN TYR CYS ASN SEQRES 1 L 30 PHE VAL ASN GLN HIS LEU CYS GLY SER HIS LEU VAL GLU SEQRES 2 L 30 ALA LEU TYR LEU VAL CYS GLY GLU ARG GLY PHE PHE TYR SEQRES 3 L 30 THR PRO LYS THR HET IPH A 22 13 HET IPH C 22 13 HET IPH E 22 13 HET IPH G 22 13 HET IPH I 22 13 HET IPH K 22 13 HETNAM IPH PHENOL FORMUL 13 IPH 6(C6 H6 O) HELIX 1 1 VAL A 3 CYS A 6 1 4 HELIX 2 2 LEU A 13 TYR A 19 1 7 HELIX 3 3 GLN B 4 CYS B 19 1 16 HELIX 4 4 VAL C 3 CYS C 6 1 4 HELIX 5 5 LEU C 13 TYR C 19 1 7 HELIX 6 6 GLN D 4 CYS D 19 1 16 HELIX 7 7 VAL E 3 CYS E 6 1 4 HELIX 8 8 LEU E 13 TYR E 19 1 7 HELIX 9 9 GLN F 4 CYS F 19 1 16 HELIX 10 10 VAL G 3 CYS G 6 1 4 HELIX 11 11 LEU G 13 TYR G 19 1 7 HELIX 12 12 GLN H 4 CYS H 19 1 16 HELIX 13 13 VAL I 3 CYS I 6 1 4 HELIX 14 14 LEU I 13 TYR I 19 1 7 HELIX 15 15 GLN J 4 CYS J 19 1 16 HELIX 16 16 VAL K 3 CYS K 6 1 4 HELIX 17 17 LEU K 13 TYR K 19 1 7 HELIX 18 18 GLN L 4 CYS L 19 1 16 SHEET 1 A 4 CYS A 20 ASN A 21 0 SHEET 2 A 4 GLY B 23 TYR B 26 -1 O GLY B 23 N ASN A 21 SHEET 3 A 4 GLY D 23 TYR D 26 -1 N PHE D 24 O TYR B 26 SHEET 4 A 4 CYS C 20 ASN C 21 -1 N ASN C 21 O GLY D 23 SHEET 1 B 4 CYS E 20 ASN E 21 0 SHEET 2 B 4 GLY F 23 TYR F 26 -1 O GLY F 23 N ASN E 21 SHEET 3 B 4 GLY H 23 TYR H 26 -1 N PHE H 24 O TYR F 26 SHEET 4 B 4 CYS G 20 ASN G 21 -1 N ASN G 21 O GLY H 23 SHEET 1 C 4 CYS I 20 ASN I 21 0 SHEET 2 C 4 GLY J 23 TYR J 26 -1 O GLY J 23 N ASN I 21 SHEET 3 C 4 GLY L 23 TYR L 26 -1 N PHE L 24 O TYR J 26 SHEET 4 C 4 CYS K 20 ASN K 21 -1 N ASN K 21 O GLY L 23 SSBOND *** CYS A 6 CYS A 11 1555 1555 2.02 SSBOND *** CYS A 7 CYS B 7 1555 1555 2.02 SSBOND *** CYS A 20 CYS B 19 1555 1555 2.02 SSBOND *** CYS C 6 CYS C 11 1555 1555 2.02 SSBOND *** CYS C 7 CYS D 7 1555 1555 2.02 SSBOND *** CYS C 20 CYS D 19 1555 1555 2.02 SSBOND *** CYS E 6 CYS E 11 1555 1555 2.02 SSBOND *** CYS E 7 CYS F 7 1555 1555 2.02 SSBOND *** CYS E 20 CYS F 19 1555 1555 2.02 SSBOND *** CYS G 6 CYS G 11 1555 1555 2.02 SSBOND *** CYS G 7 CYS H 7 1555 1555 2.02 SSBOND *** CYS G 20 CYS H 19 1555 1555 2.02 SSBOND *** CYS I 6 CYS I 11 1555 1555 2.02 SSBOND *** CYS I 7 CYS J 7 1555 1555 2.02 SSBOND *** CYS I 20 CYS J 19 1555 1555 2.02 SSBOND *** CYS K 6 CYS K 11 1555 1555 2.02 SSBOND *** CYS K 7 CYS L 7 1555 1555 2.02 SSBOND *** CYS K 20 CYS L 19 1555 1555 2.02 SITE *** ZN1 3 HIS B 10 HIS F 10 HIS J 10 SITE *** ZN2 3 HIS D 10 HIS H 10 HIS L 10 SITE *** AC1 7 ILE A 10 CYS A 11 LEU A 16 LEU B 11 SITE *** AC1 7 ALA B 14 LEU F 6 LEU H 17 SITE *** AC2 7 ILE C 10 CYS C 11 LEU C 16 LEU D 11 SITE *** AC2 7 ALA D 14 LEU J 17 LEU L 6 SITE *** AC3 7 ILE E 10 CYS E 11 LEU E 16 LEU F 11 SITE *** AC3 7 ALA F 14 LEU J 6 LEU L 17 SITE *** AC4 7 LEU B 17 LEU D 6 ILE G 10 CYS G 11 SITE *** AC4 7 LEU G 16 LEU H 11 ALA H 14 SITE *** AC5 7 LEU B 6 LEU D 17 ILE I 10 CYS I 11 SITE *** AC5 7 LEU I 16 LEU J 11 ALA J 14 SITE *** AC6 7 LEU F 17 LEU H 6 ILE K 10 CYS K 11 SITE *** AC6 7 LEU K 16 LEU L 11 ALA L 14 CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1 ORIGX1 1.000000 0.000000 0.000000 0.00000 ORIGX2 0.000000 1.000000 0.000000 0.00000 ORIGX3 0.000000 0.000000 1.000000 0.00000 SCALE1 1.000000 0.000000 0.000000 0.00000 SCALE2 0.000000 1.000000 0.000000 0.00000 SCALE3 0.000000 0.000000 1.000000 0.00000 USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: L 9 SER OG : rot -105:sc= 0.61 USER MOD Set 1.2: L 10 HIS : no HE2:sc= 0.464 K(o=1.1,f=-2.2!) USER MOD Set 2.1: K 5 GLN :FLIP amide:sc= -0.316 F(o=-1.4,f=0.46) USER MOD Set 2.2: K 12 SER OG : rot 180:sc= 0 USER MOD Set 2.3: K 15 GLN :FLIP amide:sc= 0.0182 F(o=-0.1,f=0.46) USER MOD Set 2.4: K 19 TYR OH : rot -53:sc= 0.756 USER MOD Set 3.1: K 1 GLY N :NH3+ -132:sc= 0.0316 (180deg=-0.0943) USER MOD Set 3.2: L 30 THR OG1 : rot 180:sc= 0.0329 USER MOD Set 4.1: I 1 GLY N :NH3+ -130:sc= 0.0156 (180deg=-0.0948) USER MOD Set 4.2: J 30 THR OG1 : rot 180:sc= 0.0381 USER MOD Set 5.1: J 9 SER OG : rot -69:sc= 0.528 USER MOD Set 5.2: J 10 HIS : no HE2:sc= 0.412 K(o=0.94,f=-2.5!) USER MOD Set 6.1: I 5 GLN :FLIP amide:sc= -0.306 F(o=-1.4,f=0.4) USER MOD Set 6.2: I 12 SER OG : rot 180:sc= 0 USER MOD Set 6.3: I 15 GLN :FLIP amide:sc= -0.0162 F(o=-0.13,f=0.4) USER MOD Set 6.4: I 19 TYR OH : rot -53:sc= 0.727 USER MOD Set 7.1: G 1 GLY N :NH3+ -131:sc= 0.0283 (180deg=-0.0976) USER MOD Set 7.2: H 30 THR OG1 : rot 180:sc= 0.0379 USER MOD Set 8.1: H 9 SER OG : rot -98:sc= 0.579 USER MOD Set 8.2: H 10 HIS : no HE2:sc= 0.366 K(o=0.95,f=-2.3!) USER MOD Set 9.1: G 5 GLN :FLIP amide:sc= -0.331 F(o=-1.4,f=0.4) USER MOD Set 9.2: G 12 SER OG : rot 180:sc= 0 USER MOD Set 9.3: G 15 GLN :FLIP amide:sc= -0.0166 F(o=-0.13,f=0.4) USER MOD Set 9.4: G 19 TYR OH : rot -52:sc= 0.745 USER MOD Set10.1: E 1 GLY N :NH3+ -130:sc= 0.0257 (180deg=-0.0986) USER MOD Set10.2: F 30 THR OG1 : rot 180:sc= 0.0338 USER MOD Set11.1: F 9 SER OG : rot -72:sc= 0.606 USER MOD Set11.2: F 10 HIS : no HE2:sc= 0.373 K(o=0.98,f=-2.3!) USER MOD Set12.1: E 5 GLN :FLIP amide:sc= -0.34 F(o=-1.4,f=0.42) USER MOD Set12.2: E 12 SER OG : rot 180:sc= 0 USER MOD Set12.3: E 15 GLN :FLIP amide:sc= -0.0115 F(o=-0.12,f=0.42) USER MOD Set12.4: E 19 TYR OH : rot -52:sc= 0.767 USER MOD Set13.1: C 1 GLY N :NH3+ -131:sc= 0.0188 (180deg=-0.0862) USER MOD Set13.2: D 30 THR OG1 : rot 180:sc= 0.039 USER MOD Set14.1: D 9 SER OG : rot -94:sc= 0.594 USER MOD Set14.2: D 10 HIS : no HE2:sc= 0.451 K(o=1,f=-2.3!) USER MOD Set15.1: C 5 GLN :FLIP amide:sc= -0.418 F(o=-1.4,f=0.29) USER MOD Set15.2: C 12 SER OG : rot 180:sc= 0 USER MOD Set15.3: C 15 GLN :FLIP amide:sc= -0.0575 X(o=-0.11,f=0.29) USER MOD Set15.4: C 19 TYR OH : rot -53:sc= 0.768 USER MOD Set16.1: B 9 SER OG : rot -75:sc= 0.592 USER MOD Set16.2: B 10 HIS : no HE2:sc= 0.411 K(o=1,f=-2.2!) USER MOD Set17.1: A 5 GLN :FLIP amide:sc= -0.28 F(o=-1.4,f=0.3) USER MOD Set17.2: A 12 SER OG : rot 180:sc= 0 USER MOD Set17.3: A 15 GLN :FLIP amide:sc= -0.15 X(o=-0.14,f=0.3) USER MOD Set17.4: A 19 TYR OH : rot -52:sc= 0.726 USER MOD Set18.1: A 1 GLY N :NH3+ -132:sc= 0.0284 (180deg=-0.102) USER MOD Set18.2: B 30 THR OG1 : rot 180:sc= 0.0336 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0212 USER MOD Single : A 9 SER OG : rot -25:sc= 0.421 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.722 X(o=-0.72,f=-0.99) USER MOD Single : A 21 ASN : amide:sc= 0.0124 X(o=0.012,f=0) USER MOD Single : A 22 IPH O1 : rot -10:sc= -0.405 USER MOD Single : B 1 PHE N :NH3+ -171:sc= 0.103 (180deg=0.0322) USER MOD Single : B 3 ASN : amide:sc= -0.545 X(o=-0.55,f=-0.51) USER MOD Single : B 4 GLN : amide:sc= -4.07! C(o=-4.1!,f=-6.2!) USER MOD Single : B 5 HIS : no HE2:sc= -2.69 K(o=-2.7,f=-3.5!) USER MOD Single : B 16 TYR OH : rot 80:sc= -1.2 USER MOD Single : B 26 TYR OH : rot -150:sc= -2.19! USER MOD Single : B 27 THR OG1 : rot 46:sc= 0.74 USER MOD Single : B 29 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000514) USER MOD Single : C 8 THR OG1 : rot 180:sc= 0.00565 USER MOD Single : C 9 SER OG : rot -24:sc= 0.312 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 18 ASN : amide:sc= -0.755 X(o=-0.76,f=-0.95) USER MOD Single : C 21 ASN : amide:sc= 0.00258 X(o=0.0026,f=0) USER MOD Single : C 22 IPH O1 : rot -10:sc= -0.314 USER MOD Single : D 1 PHE N :NH3+ -171:sc= 0.0567 (180deg=-0.0263) USER MOD Single : D 3 ASN : amide:sc= -0.602 X(o=-0.6,f=-0.55) USER MOD Single : D 4 GLN : amide:sc= -4.02! C(o=-4!,f=-6.2!) USER MOD Single : D 5 HIS : no HE2:sc= -2.65 K(o=-2.6,f=-3.3!) USER MOD Single : D 16 TYR OH : rot 79:sc= -1.13 USER MOD Single : D 26 TYR OH : rot -158:sc= -2.18 USER MOD Single : D 27 THR OG1 : rot 47:sc= 0.793 USER MOD Single : D 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : E 8 THR OG1 : rot 180:sc= 0.0116 USER MOD Single : E 9 SER OG : rot -23:sc= 0.387 USER MOD Single : E 14 TYR OH : rot 180:sc= 0 USER MOD Single : E 18 ASN : amide:sc= -0.746 X(o=-0.75,f=-1) USER MOD Single : E 21 ASN : amide:sc= 0.00833 X(o=0.0083,f=0) USER MOD Single : E 22 IPH O1 : rot 28:sc= -0.0926 USER MOD Single : F 1 PHE N :NH3+ -171:sc= 0.11 (180deg=0.0426) USER MOD Single : F 3 ASN : amide:sc= -0.579 X(o=-0.58,f=-0.55) USER MOD Single : F 4 GLN : amide:sc= -4.37! C(o=-4.4!,f=-6.5!) USER MOD Single : F 5 HIS : no HE2:sc= -2.85 K(o=-2.9,f=-3.8!) USER MOD Single : F 16 TYR OH : rot 83:sc= -0.99 USER MOD Single : F 26 TYR OH : rot -150:sc= -2.2 USER MOD Single : F 27 THR OG1 : rot 46:sc= 0.775 USER MOD Single : F 29 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00118) USER MOD Single : G 8 THR OG1 : rot 180:sc= 0.00528 USER MOD Single : G 9 SER OG : rot -21:sc= 0.269 USER MOD Single : G 14 TYR OH : rot 180:sc= 0 USER MOD Single : G 18 ASN : amide:sc= -0.788 X(o=-0.79,f=-0.97) USER MOD Single : G 21 ASN : amide:sc=-0.00607 X(o=-0.0061,f=0) USER MOD Single : G 22 IPH O1 : rot 28:sc= -0.0189 USER MOD Single : H 1 PHE N :NH3+ -170:sc= 0.0336 (180deg=-0.0658) USER MOD Single : H 3 ASN : amide:sc= -0.556 X(o=-0.56,f=-0.56) USER MOD Single : H 4 GLN : amide:sc= -4.14! C(o=-4.1!,f=-6.2!) USER MOD Single : H 5 HIS : no HE2:sc= -2.35 K(o=-2.4,f=-3.1!) USER MOD Single : H 16 TYR OH : rot 76:sc= -1.29 USER MOD Single : H 26 TYR OH : rot -155:sc= -2.18 USER MOD Single : H 27 THR OG1 : rot 43:sc= 0.779 USER MOD Single : H 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : I 8 THR OG1 : rot 180:sc= 0.0147 USER MOD Single : I 9 SER OG : rot -25:sc= 0.471 USER MOD Single : I 14 TYR OH : rot 180:sc= 0 USER MOD Single : I 18 ASN : amide:sc= -0.773 X(o=-0.77,f=-1.1) USER MOD Single : I 21 ASN : amide:sc= 0.0021 X(o=0.0021,f=0) USER MOD Single : I 22 IPH O1 : rot 24:sc= -0.0511 USER MOD Single : J 1 PHE N :NH3+ -171:sc= 0.0867 (180deg=0.0111) USER MOD Single : J 3 ASN : amide:sc= -0.581 X(o=-0.58,f=-0.55) USER MOD Single : J 4 GLN : amide:sc= -4.24! C(o=-4.2!,f=-6.3!) USER MOD Single : J 5 HIS : no HE2:sc= -2.46 K(o=-2.5,f=-3.2!) USER MOD Single : J 16 TYR OH : rot 74:sc= -1.02 USER MOD Single : J 26 TYR OH : rot -133:sc= -2.18 USER MOD Single : J 27 THR OG1 : rot 45:sc= 0.804 USER MOD Single : J 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : K 8 THR OG1 : rot 180:sc= 0.0241 USER MOD Single : K 9 SER OG : rot -22:sc= 0.277 USER MOD Single : K 14 TYR OH : rot 180:sc= 0 USER MOD Single : K 18 ASN : amide:sc= -0.745 X(o=-0.74,f=-0.98) USER MOD Single : K 21 ASN : amide:sc= 0.00718 X(o=0.0072,f=0) USER MOD Single : K 22 IPH O1 : rot 0:sc= -0.31 USER MOD Single : L 1 PHE N :NH3+ -171:sc= 0.0409 (180deg=-0.0455) USER MOD Single : L 3 ASN : amide:sc= -0.582 X(o=-0.58,f=-0.54) USER MOD Single : L 4 GLN : amide:sc= -4.11! C(o=-4.1!,f=-6.2!) USER MOD Single : L 5 HIS : no HE2:sc= -2.62 K(o=-2.6,f=-3.6!) USER MOD Single : L 16 TYR OH : rot 81:sc= -1.15 USER MOD Single : L 26 TYR OH : rot -150:sc= -2.16 USER MOD Single : L 27 THR OG1 : rot 45:sc= 0.762 USER MOD Single : L 29 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0316) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -2.149 18.413 14.030 1.00 0.29 N ATOM 2 CA GLY A 1 -3.206 19.214 13.349 1.00 0.29 C ATOM 3 C GLY A 1 -4.046 18.297 12.456 1.00 0.29 C ATOM 4 O GLY A 1 -5.261 18.325 12.488 1.00 0.29 O ATOM 0 H1 GLY A 1 -2.139 18.642 15.044 1.00 0.29 H new ATOM 0 H2 GLY A 1 -2.347 17.400 13.906 1.00 0.29 H new ATOM 0 H3 GLY A 1 -1.222 18.638 13.616 1.00 0.29 H new ATOM 0 HA2 GLY A 1 -3.842 19.701 14.089 1.00 0.29 H new ATOM 0 HA3 GLY A 1 -2.750 20.004 12.751 1.00 0.29 H new ATOM 10 N ILE A 2 -3.409 17.485 11.660 1.00 0.05 N ATOM 11 CA ILE A 2 -4.171 16.567 10.770 1.00 0.05 C ATOM 12 C ILE A 2 -3.624 15.152 10.919 1.00 0.05 C ATOM 13 O ILE A 2 -4.363 14.190 10.983 1.00 0.05 O ATOM 14 CB ILE A 2 -4.015 17.021 9.315 1.00 0.05 C ATOM 15 CG1 ILE A 2 -4.770 16.060 8.388 1.00 0.05 C ATOM 16 CG2 ILE A 2 -2.533 17.025 8.938 1.00 0.05 C ATOM 17 CD1 ILE A 2 -4.640 16.537 6.941 1.00 0.05 C ATOM 0 H ILE A 2 -2.394 17.417 11.587 1.00 0.05 H new ATOM 0 HA ILE A 2 -5.226 16.583 11.045 1.00 0.05 H new ATOM 0 HB ILE A 2 -4.424 18.025 9.207 1.00 0.05 H new ATOM 0 HG12 ILE A 2 -4.368 15.052 8.487 1.00 0.05 H new ATOM 0 HG13 ILE A 2 -5.821 16.013 8.673 1.00 0.05 H new ATOM 0 HG21 ILE A 2 -2.422 17.348 7.903 1.00 0.05 H new ATOM 0 HG22 ILE A 2 -1.993 17.710 9.592 1.00 0.05 H new ATOM 0 HG23 ILE A 2 -2.126 16.020 9.050 1.00 0.05 H new ATOM 0 HD11 ILE A 2 -5.177 15.854 6.283 1.00 0.05 H new ATOM 0 HD12 ILE A 2 -5.063 17.537 6.848 1.00 0.05 H new ATOM 0 HD13 ILE A 2 -3.587 16.561 6.659 1.00 0.05 H new ATOM 29 N VAL A 3 -2.333 15.016 10.967 1.00 0.01 N ATOM 30 CA VAL A 3 -1.736 13.660 11.102 1.00 0.01 C ATOM 31 C VAL A 3 -2.112 13.078 12.461 1.00 0.01 C ATOM 32 O VAL A 3 -2.776 12.066 12.555 1.00 0.01 O ATOM 33 CB VAL A 3 -0.209 13.738 10.992 1.00 0.01 C ATOM 34 CG1 VAL A 3 0.331 12.351 10.659 1.00 0.01 C ATOM 35 CG2 VAL A 3 0.201 14.708 9.876 1.00 0.01 C ATOM 0 H VAL A 3 -1.663 15.784 10.919 1.00 0.01 H new ATOM 0 HA VAL A 3 -2.118 13.023 10.304 1.00 0.01 H new ATOM 0 HB VAL A 3 0.197 14.094 11.939 1.00 0.01 H new ATOM 0 HG11 VAL A 3 1.417 12.393 10.578 1.00 0.01 H new ATOM 0 HG12 VAL A 3 0.053 11.653 11.449 1.00 0.01 H new ATOM 0 HG13 VAL A 3 -0.091 12.014 9.712 1.00 0.01 H new ATOM 0 HG21 VAL A 3 1.288 14.751 9.812 1.00 0.01 H new ATOM 0 HG22 VAL A 3 -0.205 14.362 8.926 1.00 0.01 H new ATOM 0 HG23 VAL A 3 -0.189 15.702 10.096 1.00 0.01 H new ATOM 45 N GLU A 4 -1.695 13.714 13.514 1.00 0.46 N ATOM 46 CA GLU A 4 -2.026 13.205 14.874 1.00 0.46 C ATOM 47 C GLU A 4 -3.549 13.127 15.056 1.00 0.46 C ATOM 48 O GLU A 4 -4.039 12.467 15.950 1.00 0.46 O ATOM 49 CB GLU A 4 -1.442 14.157 15.916 1.00 0.46 C ATOM 50 CG GLU A 4 -0.987 13.359 17.138 1.00 0.46 C ATOM 51 CD GLU A 4 -1.343 14.130 18.410 1.00 0.46 C ATOM 52 OE1 GLU A 4 -1.233 15.348 18.391 1.00 0.46 O ATOM 53 OE2 GLU A 4 -1.721 13.492 19.382 1.00 0.46 O ATOM 0 H GLU A 4 -1.137 14.568 13.495 1.00 0.46 H new ATOM 0 HA GLU A 4 -1.604 12.208 14.997 1.00 0.46 H new ATOM 0 HB2 GLU A 4 -0.600 14.705 15.492 1.00 0.46 H new ATOM 0 HB3 GLU A 4 -2.188 14.896 16.208 1.00 0.46 H new ATOM 0 HG2 GLU A 4 -1.467 12.380 17.146 1.00 0.46 H new ATOM 0 HG3 GLU A 4 0.088 13.186 17.093 1.00 0.46 H new ATOM 60 N GLN A 5 -4.300 13.807 14.236 1.00 0.24 N ATOM 61 CA GLN A 5 -5.781 13.781 14.384 1.00 0.24 C ATOM 62 C GLN A 5 -6.377 12.589 13.624 1.00 0.24 C ATOM 63 O GLN A 5 -7.360 12.012 14.040 1.00 0.24 O ATOM 64 CB GLN A 5 -6.346 15.083 13.809 1.00 0.24 C ATOM 65 CG GLN A 5 -7.873 15.085 13.913 1.00 0.24 C ATOM 66 CD GLN A 5 -8.425 16.307 13.176 1.00 0.24 C ATOM 67 OE1 GLN A 5 -9.331 16.142 12.252 1.00 0.24 O flip ATOM 68 NE2 GLN A 5 -8.029 17.424 13.444 1.00 0.24 N flip ATOM 0 H GLN A 5 -3.951 14.381 13.468 1.00 0.24 H new ATOM 0 HA GLN A 5 -6.039 13.682 15.438 1.00 0.24 H new ATOM 0 HB2 GLN A 5 -5.936 15.936 14.349 1.00 0.24 H new ATOM 0 HB3 GLN A 5 -6.045 15.190 12.767 1.00 0.24 H new ATOM 0 HG2 GLN A 5 -8.280 14.171 13.482 1.00 0.24 H new ATOM 0 HG3 GLN A 5 -8.178 15.108 14.959 1.00 0.24 H new ATOM 0 HE21 GLN A 5 -7.321 17.554 14.166 1.00 0.24 H new ATOM 0 HE22 GLN A 5 -8.405 18.231 12.947 1.00 0.24 H new ATOM 77 N CYS A 6 -5.813 12.232 12.503 1.00 0.00 N ATOM 78 CA CYS A 6 -6.386 11.098 11.719 1.00 0.00 C ATOM 79 C CYS A 6 -5.543 9.838 11.884 1.00 0.00 C ATOM 80 O CYS A 6 -6.037 8.739 11.715 1.00 0.00 O ATOM 81 CB CYS A 6 -6.448 11.487 10.242 1.00 0.00 C ATOM 82 SG CYS A 6 -7.371 13.035 10.063 1.00 0.00 S ATOM 0 H CYS A 6 -4.987 12.671 12.097 1.00 0.00 H new ATOM 0 HA CYS A 6 -7.389 10.888 12.091 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -5.440 11.604 9.843 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -6.929 10.696 9.667 1.00 0.00 H new ATOM 87 N CYS A 7 -4.291 9.971 12.220 1.00 0.07 N ATOM 88 CA CYS A 7 -3.450 8.755 12.402 1.00 0.07 C ATOM 89 C CYS A 7 -3.777 8.076 13.747 1.00 0.07 C ATOM 90 O CYS A 7 -3.233 7.037 14.062 1.00 0.07 O ATOM 91 CB CYS A 7 -1.971 9.136 12.363 1.00 0.07 C ATOM 92 SG CYS A 7 -0.971 7.629 12.425 1.00 0.07 S ATOM 0 H CYS A 7 -3.816 10.860 12.375 1.00 0.07 H new ATOM 0 HA CYS A 7 -3.664 8.057 11.593 1.00 0.07 H new ATOM 0 HB2 CYS A 7 -1.751 9.697 11.455 1.00 0.07 H new ATOM 0 HB3 CYS A 7 -1.727 9.784 13.205 1.00 0.07 H new ATOM 97 N THR A 8 -4.660 8.635 14.545 1.00 0.25 N ATOM 98 CA THR A 8 -4.991 7.989 15.844 1.00 0.25 C ATOM 99 C THR A 8 -6.093 6.950 15.626 1.00 0.25 C ATOM 100 O THR A 8 -5.980 5.817 16.046 1.00 0.25 O ATOM 101 CB THR A 8 -5.480 9.051 16.830 1.00 0.25 C ATOM 102 OG1 THR A 8 -6.427 9.893 16.188 1.00 0.25 O ATOM 103 CG2 THR A 8 -4.293 9.890 17.309 1.00 0.25 C ATOM 0 H THR A 8 -5.158 9.503 14.349 1.00 0.25 H new ATOM 0 HA THR A 8 -4.103 7.501 16.247 1.00 0.25 H new ATOM 0 HB THR A 8 -5.948 8.564 17.685 1.00 0.25 H new ATOM 0 HG1 THR A 8 -6.742 10.573 16.820 1.00 0.25 H new ATOM 0 HG21 THR A 8 -4.642 10.647 18.012 1.00 0.25 H new ATOM 0 HG22 THR A 8 -3.567 9.244 17.802 1.00 0.25 H new ATOM 0 HG23 THR A 8 -3.824 10.377 16.455 1.00 0.25 H new ATOM 111 N SER A 9 -7.157 7.327 14.973 1.00 0.29 N ATOM 112 CA SER A 9 -8.262 6.359 14.728 1.00 0.29 C ATOM 113 C SER A 9 -9.058 6.784 13.493 1.00 0.29 C ATOM 114 O SER A 9 -10.260 6.635 13.444 1.00 0.29 O ATOM 115 CB SER A 9 -9.189 6.325 15.939 1.00 0.29 C ATOM 116 OG SER A 9 -8.418 6.100 17.111 1.00 0.29 O ATOM 0 H SER A 9 -7.309 8.264 14.599 1.00 0.29 H new ATOM 0 HA SER A 9 -7.839 5.368 14.563 1.00 0.29 H new ATOM 0 HB2 SER A 9 -9.733 7.266 16.022 1.00 0.29 H new ATOM 0 HB3 SER A 9 -9.932 5.536 15.821 1.00 0.29 H new ATOM 0 HG SER A 9 -7.587 5.639 16.872 1.00 0.29 H new ATOM 122 N ILE A 10 -8.385 7.303 12.498 1.00 0.10 N ATOM 123 CA ILE A 10 -9.073 7.736 11.242 1.00 0.10 C ATOM 124 C ILE A 10 -10.045 8.897 11.526 1.00 0.10 C ATOM 125 O ILE A 10 -10.758 8.913 12.507 1.00 0.10 O ATOM 126 CB ILE A 10 -9.794 6.520 10.607 1.00 0.10 C ATOM 127 CG1 ILE A 10 -8.730 5.583 10.032 1.00 0.10 C ATOM 128 CG2 ILE A 10 -10.731 6.947 9.466 1.00 0.10 C ATOM 129 CD1 ILE A 10 -8.250 4.622 11.115 1.00 0.10 C ATOM 0 H ILE A 10 -7.375 7.447 12.502 1.00 0.10 H new ATOM 0 HA ILE A 10 -8.336 8.107 10.530 1.00 0.10 H new ATOM 0 HB ILE A 10 -10.392 6.031 11.376 1.00 0.10 H new ATOM 0 HG12 ILE A 10 -9.141 5.023 9.192 1.00 0.10 H new ATOM 0 HG13 ILE A 10 -7.890 6.163 9.649 1.00 0.10 H new ATOM 0 HG21 ILE A 10 -11.218 6.067 9.046 1.00 0.10 H new ATOM 0 HG22 ILE A 10 -11.487 7.630 9.853 1.00 0.10 H new ATOM 0 HG23 ILE A 10 -10.153 7.447 8.689 1.00 0.10 H new ATOM 0 HD11 ILE A 10 -7.492 3.957 10.701 1.00 0.10 H new ATOM 0 HD12 ILE A 10 -7.822 5.190 11.941 1.00 0.10 H new ATOM 0 HD13 ILE A 10 -9.092 4.032 11.477 1.00 0.10 H new ATOM 141 N CYS A 11 -10.065 9.863 10.638 1.00 0.05 N ATOM 142 CA CYS A 11 -10.971 11.036 10.793 1.00 0.05 C ATOM 143 C CYS A 11 -12.255 10.782 10.003 1.00 0.05 C ATOM 144 O CYS A 11 -12.369 9.808 9.287 1.00 0.05 O ATOM 145 CB CYS A 11 -10.295 12.283 10.216 1.00 0.05 C ATOM 146 SG CYS A 11 -8.957 12.828 11.302 1.00 0.05 S ATOM 0 H CYS A 11 -9.482 9.884 9.802 1.00 0.05 H new ATOM 0 HA CYS A 11 -11.193 11.183 11.850 1.00 0.05 H new ATOM 0 HB2 CYS A 11 -9.901 12.065 9.223 1.00 0.05 H new ATOM 0 HB3 CYS A 11 -11.027 13.082 10.100 1.00 0.05 H new ATOM 151 N SER A 12 -13.215 11.657 10.113 1.00 0.27 N ATOM 152 CA SER A 12 -14.481 11.467 9.352 1.00 0.27 C ATOM 153 C SER A 12 -14.303 12.007 7.933 1.00 0.27 C ATOM 154 O SER A 12 -13.374 12.735 7.648 1.00 0.27 O ATOM 155 CB SER A 12 -15.616 12.219 10.044 1.00 0.27 C ATOM 156 OG SER A 12 -15.677 11.822 11.408 1.00 0.27 O ATOM 0 H SER A 12 -13.178 12.494 10.695 1.00 0.27 H new ATOM 0 HA SER A 12 -14.725 10.405 9.313 1.00 0.27 H new ATOM 0 HB2 SER A 12 -15.452 13.294 9.973 1.00 0.27 H new ATOM 0 HB3 SER A 12 -16.564 12.007 9.549 1.00 0.27 H new ATOM 0 HG SER A 12 -16.403 12.304 11.857 1.00 0.27 H new ATOM 162 N LEU A 13 -15.182 11.649 7.040 1.00 0.30 N ATOM 163 CA LEU A 13 -15.061 12.131 5.636 1.00 0.30 C ATOM 164 C LEU A 13 -15.074 13.664 5.594 1.00 0.30 C ATOM 165 O LEU A 13 -14.329 14.277 4.858 1.00 0.30 O ATOM 166 CB LEU A 13 -16.235 11.591 4.818 1.00 0.30 C ATOM 167 CG LEU A 13 -15.950 11.785 3.329 1.00 0.30 C ATOM 168 CD1 LEU A 13 -16.476 10.580 2.546 1.00 0.30 C ATOM 169 CD2 LEU A 13 -16.648 13.056 2.841 1.00 0.30 C ATOM 0 H LEU A 13 -15.981 11.042 7.222 1.00 0.30 H new ATOM 0 HA LEU A 13 -14.119 11.776 5.218 1.00 0.30 H new ATOM 0 HB2 LEU A 13 -16.388 10.534 5.035 1.00 0.30 H new ATOM 0 HB3 LEU A 13 -17.153 12.109 5.094 1.00 0.30 H new ATOM 0 HG LEU A 13 -14.875 11.876 3.173 1.00 0.30 H new ATOM 0 HD11 LEU A 13 -16.272 10.719 1.484 1.00 0.30 H new ATOM 0 HD12 LEU A 13 -15.980 9.674 2.895 1.00 0.30 H new ATOM 0 HD13 LEU A 13 -17.551 10.487 2.700 1.00 0.30 H new ATOM 0 HD21 LEU A 13 -16.446 13.197 1.779 1.00 0.30 H new ATOM 0 HD22 LEU A 13 -17.723 12.964 2.997 1.00 0.30 H new ATOM 0 HD23 LEU A 13 -16.273 13.914 3.399 1.00 0.30 H new ATOM 181 N TYR A 14 -15.921 14.289 6.367 1.00 0.52 N ATOM 182 CA TYR A 14 -15.982 15.780 6.354 1.00 0.52 C ATOM 183 C TYR A 14 -14.705 16.365 6.954 1.00 0.52 C ATOM 184 O TYR A 14 -14.190 17.362 6.487 1.00 0.52 O ATOM 185 CB TYR A 14 -17.187 16.248 7.172 1.00 0.52 C ATOM 186 CG TYR A 14 -18.444 15.707 6.545 1.00 0.52 C ATOM 187 CD1 TYR A 14 -18.973 16.319 5.337 1.00 0.52 C ATOM 188 CD2 TYR A 14 -19.122 14.567 7.141 1.00 0.52 C ATOM 189 CE1 TYR A 14 -20.181 15.792 4.723 1.00 0.52 C ATOM 190 CE2 TYR A 14 -20.332 14.039 6.528 1.00 0.52 C ATOM 191 CZ TYR A 14 -20.861 14.651 5.318 1.00 0.52 C ATOM 192 OH TYR A 14 -22.007 14.148 4.733 1.00 0.52 O ATOM 0 H TYR A 14 -16.572 13.833 7.006 1.00 0.52 H new ATOM 0 HA TYR A 14 -16.080 16.121 5.324 1.00 0.52 H new ATOM 0 HB2 TYR A 14 -17.101 15.902 8.202 1.00 0.52 H new ATOM 0 HB3 TYR A 14 -17.221 17.337 7.204 1.00 0.52 H new ATOM 0 HD1 TYR A 14 -18.468 17.166 4.895 1.00 0.52 H new ATOM 0 HD2 TYR A 14 -18.728 14.112 8.038 1.00 0.52 H new ATOM 0 HE1 TYR A 14 -20.574 16.247 3.826 1.00 0.52 H new ATOM 0 HE2 TYR A 14 -20.837 13.193 6.971 1.00 0.52 H new ATOM 0 HH TYR A 14 -22.334 13.386 5.256 1.00 0.52 H new ATOM 202 N GLN A 15 -14.191 15.762 7.987 1.00 0.23 N ATOM 203 CA GLN A 15 -12.951 16.298 8.614 1.00 0.23 C ATOM 204 C GLN A 15 -11.828 16.343 7.577 1.00 0.23 C ATOM 205 O GLN A 15 -10.978 17.211 7.608 1.00 0.23 O ATOM 206 CB GLN A 15 -12.539 15.396 9.776 1.00 0.23 C ATOM 207 CG GLN A 15 -13.399 15.720 10.998 1.00 0.23 C ATOM 208 CD GLN A 15 -12.826 15.010 12.224 1.00 0.23 C ATOM 209 OE1 GLN A 15 -13.484 14.015 12.751 1.00 0.23 O flip ATOM 210 NE2 GLN A 15 -11.768 15.366 12.705 1.00 0.23 N flip ATOM 0 H GLN A 15 -14.574 14.924 8.424 1.00 0.23 H new ATOM 0 HA GLN A 15 -13.139 17.306 8.984 1.00 0.23 H new ATOM 0 HB2 GLN A 15 -12.660 14.349 9.499 1.00 0.23 H new ATOM 0 HB3 GLN A 15 -11.485 15.544 10.010 1.00 0.23 H new ATOM 0 HG2 GLN A 15 -13.422 16.797 11.165 1.00 0.23 H new ATOM 0 HG3 GLN A 15 -14.428 15.402 10.827 1.00 0.23 H new ATOM 0 HE21 GLN A 15 -11.256 16.145 12.291 1.00 0.23 H new ATOM 0 HE22 GLN A 15 -11.393 14.886 13.523 1.00 0.23 H new ATOM 219 N LEU A 16 -11.814 15.415 6.660 1.00 0.01 N ATOM 220 CA LEU A 16 -10.739 15.410 5.627 1.00 0.01 C ATOM 221 C LEU A 16 -10.968 16.561 4.647 1.00 0.01 C ATOM 222 O LEU A 16 -10.041 17.098 4.075 1.00 0.01 O ATOM 223 CB LEU A 16 -10.767 14.081 4.868 1.00 0.01 C ATOM 224 CG LEU A 16 -10.441 12.936 5.827 1.00 0.01 C ATOM 225 CD1 LEU A 16 -10.457 11.611 5.065 1.00 0.01 C ATOM 226 CD2 LEU A 16 -9.054 13.159 6.432 1.00 0.01 C ATOM 0 H LEU A 16 -12.498 14.662 6.581 1.00 0.01 H new ATOM 0 HA LEU A 16 -9.770 15.532 6.111 1.00 0.01 H new ATOM 0 HB2 LEU A 16 -11.749 13.926 4.421 1.00 0.01 H new ATOM 0 HB3 LEU A 16 -10.045 14.102 4.051 1.00 0.01 H new ATOM 0 HG LEU A 16 -11.185 12.906 6.623 1.00 0.01 H new ATOM 0 HD11 LEU A 16 -10.224 10.795 5.749 1.00 0.01 H new ATOM 0 HD12 LEU A 16 -11.445 11.452 4.633 1.00 0.01 H new ATOM 0 HD13 LEU A 16 -9.713 11.640 4.269 1.00 0.01 H new ATOM 0 HD21 LEU A 16 -8.820 12.343 7.116 1.00 0.01 H new ATOM 0 HD22 LEU A 16 -8.310 13.189 5.636 1.00 0.01 H new ATOM 0 HD23 LEU A 16 -9.042 14.104 6.976 1.00 0.01 H new ATOM 238 N GLU A 17 -12.200 16.941 4.447 1.00 0.26 N ATOM 239 CA GLU A 17 -12.495 18.053 3.500 1.00 0.26 C ATOM 240 C GLU A 17 -11.851 19.347 3.999 1.00 0.26 C ATOM 241 O GLU A 17 -11.467 20.198 3.223 1.00 0.26 O ATOM 242 CB GLU A 17 -14.007 18.244 3.404 1.00 0.26 C ATOM 243 CG GLU A 17 -14.541 17.459 2.207 1.00 0.26 C ATOM 244 CD GLU A 17 -15.588 18.299 1.476 1.00 0.26 C ATOM 245 OE1 GLU A 17 -16.605 18.599 2.083 1.00 0.26 O ATOM 246 OE2 GLU A 17 -15.355 18.630 0.323 1.00 0.26 O ATOM 0 H GLU A 17 -13.016 16.529 4.899 1.00 0.26 H new ATOM 0 HA GLU A 17 -12.090 17.807 2.518 1.00 0.26 H new ATOM 0 HB2 GLU A 17 -14.487 17.902 4.321 1.00 0.26 H new ATOM 0 HB3 GLU A 17 -14.245 19.302 3.295 1.00 0.26 H new ATOM 0 HG2 GLU A 17 -13.725 17.206 1.531 1.00 0.26 H new ATOM 0 HG3 GLU A 17 -14.981 16.519 2.541 1.00 0.26 H new ATOM 253 N ASN A 18 -11.732 19.508 5.289 1.00 0.42 N ATOM 254 CA ASN A 18 -11.114 20.753 5.827 1.00 0.42 C ATOM 255 C ASN A 18 -9.694 20.895 5.278 1.00 0.42 C ATOM 256 O ASN A 18 -9.182 21.988 5.136 1.00 0.42 O ATOM 257 CB ASN A 18 -11.061 20.680 7.355 1.00 0.42 C ATOM 258 CG ASN A 18 -12.456 20.372 7.900 1.00 0.42 C ATOM 259 OD1 ASN A 18 -13.450 20.753 7.313 1.00 0.42 O ATOM 260 ND2 ASN A 18 -12.572 19.692 9.008 1.00 0.42 N ATOM 0 H ASN A 18 -12.035 18.833 5.992 1.00 0.42 H new ATOM 0 HA ASN A 18 -11.711 21.613 5.524 1.00 0.42 H new ATOM 0 HB2 ASN A 18 -10.358 19.908 7.669 1.00 0.42 H new ATOM 0 HB3 ASN A 18 -10.700 21.624 7.762 1.00 0.42 H new ATOM 0 HD21 ASN A 18 -13.497 19.480 9.382 1.00 0.42 H new ATOM 0 HD22 ASN A 18 -11.738 19.373 9.500 1.00 0.42 H new ATOM 267 N TYR A 19 -9.051 19.801 4.971 1.00 0.11 N ATOM 268 CA TYR A 19 -7.663 19.881 4.432 1.00 0.11 C ATOM 269 C TYR A 19 -7.679 19.804 2.899 1.00 0.11 C ATOM 270 O TYR A 19 -6.655 19.606 2.277 1.00 0.11 O ATOM 271 CB TYR A 19 -6.840 18.711 4.975 1.00 0.11 C ATOM 272 CG TYR A 19 -7.021 18.608 6.470 1.00 0.11 C ATOM 273 CD1 TYR A 19 -6.402 19.590 7.348 1.00 0.11 C ATOM 274 CD2 TYR A 19 -7.808 17.523 7.033 1.00 0.11 C ATOM 275 CE1 TYR A 19 -6.570 19.485 8.789 1.00 0.11 C ATOM 276 CE2 TYR A 19 -7.978 17.419 8.473 1.00 0.11 C ATOM 277 CZ TYR A 19 -7.359 18.399 9.351 1.00 0.11 C ATOM 278 OH TYR A 19 -7.519 18.299 10.719 1.00 0.11 O ATOM 0 H TYR A 19 -9.426 18.857 5.070 1.00 0.11 H new ATOM 0 HA TYR A 19 -7.223 20.829 4.740 1.00 0.11 H new ATOM 0 HB2 TYR A 19 -7.152 17.782 4.497 1.00 0.11 H new ATOM 0 HB3 TYR A 19 -5.786 18.854 4.736 1.00 0.11 H new ATOM 0 HD1 TYR A 19 -5.818 20.396 6.930 1.00 0.11 H new ATOM 0 HD2 TYR A 19 -8.266 16.794 6.381 1.00 0.11 H new ATOM 0 HE1 TYR A 19 -6.110 20.212 9.441 1.00 0.11 H new ATOM 0 HE2 TYR A 19 -8.564 16.614 8.891 1.00 0.11 H new ATOM 0 HH TYR A 19 -6.641 18.325 11.154 1.00 0.11 H new ATOM 288 N CYS A 20 -8.822 19.949 2.280 1.00 0.05 N ATOM 289 CA CYS A 20 -8.870 19.868 0.796 1.00 0.05 C ATOM 290 C CYS A 20 -8.491 21.220 0.197 1.00 0.05 C ATOM 291 O CYS A 20 -8.604 22.247 0.834 1.00 0.05 O ATOM 292 CB CYS A 20 -10.286 19.494 0.359 1.00 0.05 C ATOM 293 SG CYS A 20 -10.230 18.764 -1.295 1.00 0.05 S ATOM 0 H CYS A 20 -9.718 20.119 2.738 1.00 0.05 H new ATOM 0 HA CYS A 20 -8.167 19.111 0.448 1.00 0.05 H new ATOM 0 HB2 CYS A 20 -10.722 18.788 1.066 1.00 0.05 H new ATOM 0 HB3 CYS A 20 -10.924 20.378 0.357 1.00 0.05 H new ATOM 298 N ASN A 21 -8.040 21.226 -1.024 1.00 0.41 N ATOM 299 CA ASN A 21 -7.650 22.511 -1.665 1.00 0.41 C ATOM 300 C ASN A 21 -8.847 23.090 -2.421 1.00 0.41 C ATOM 301 O ASN A 21 -8.908 22.901 -3.625 1.00 0.41 O ATOM 302 CB ASN A 21 -6.503 22.258 -2.640 1.00 0.41 C ATOM 303 CG ASN A 21 -5.761 23.569 -2.897 1.00 0.41 C ATOM 304 OD1 ASN A 21 -4.704 23.802 -2.344 1.00 0.41 O ATOM 305 ND2 ASN A 21 -6.277 24.443 -3.718 1.00 0.41 N ATOM 306 OXT ASN A 21 -9.680 23.713 -1.785 1.00 0.41 O ATOM 0 H ASN A 21 -7.924 20.397 -1.607 1.00 0.41 H new ATOM 0 HA ASN A 21 -7.331 23.219 -0.901 1.00 0.41 H new ATOM 0 HB2 ASN A 21 -5.820 21.514 -2.230 1.00 0.41 H new ATOM 0 HB3 ASN A 21 -6.889 21.855 -3.577 1.00 0.41 H new ATOM 0 HD21 ASN A 21 -5.793 25.323 -3.896 1.00 0.41 H new ATOM 0 HD22 ASN A 21 -7.164 24.246 -4.181 1.00 0.41 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 4.638 -1.450 14.286 1.00 0.42 N ATOM 315 CA PHE B 1 4.125 -0.228 14.966 1.00 0.42 C ATOM 316 C PHE B 1 4.452 1.005 14.113 1.00 0.42 C ATOM 317 O PHE B 1 3.662 1.921 14.011 1.00 0.42 O ATOM 318 CB PHE B 1 4.785 -0.102 16.344 1.00 0.42 C ATOM 319 CG PHE B 1 4.296 1.153 17.029 1.00 0.42 C ATOM 320 CD1 PHE B 1 2.874 1.451 17.060 1.00 0.42 C ATOM 321 CD2 PHE B 1 5.246 2.065 17.643 1.00 0.42 C ATOM 322 CE1 PHE B 1 2.400 2.663 17.708 1.00 0.42 C ATOM 323 CE2 PHE B 1 4.772 3.277 18.293 1.00 0.42 C ATOM 324 CZ PHE B 1 3.349 3.577 18.326 1.00 0.42 C ATOM 0 H1 PHE B 1 4.288 -2.295 14.780 1.00 0.42 H new ATOM 0 H2 PHE B 1 4.307 -1.463 13.300 1.00 0.42 H new ATOM 0 H3 PHE B 1 5.678 -1.446 14.302 1.00 0.42 H new ATOM 0 HA PHE B 1 3.044 -0.299 15.090 1.00 0.42 H new ATOM 0 HB2 PHE B 1 4.549 -0.975 16.952 1.00 0.42 H new ATOM 0 HB3 PHE B 1 5.869 -0.071 16.237 1.00 0.42 H new ATOM 0 HD1 PHE B 1 2.170 0.772 16.602 1.00 0.42 H new ATOM 0 HD2 PHE B 1 6.303 1.843 17.617 1.00 0.42 H new ATOM 0 HE1 PHE B 1 1.343 2.885 17.731 1.00 0.42 H new ATOM 0 HE2 PHE B 1 5.477 3.955 18.751 1.00 0.42 H new ATOM 0 HZ PHE B 1 2.997 4.477 18.809 1.00 0.42 H new ATOM 336 N VAL B 2 5.616 1.026 13.512 1.00 0.13 N ATOM 337 CA VAL B 2 6.036 2.186 12.656 1.00 0.13 C ATOM 338 C VAL B 2 5.681 3.533 13.315 1.00 0.13 C ATOM 339 O VAL B 2 5.498 3.621 14.512 1.00 0.13 O ATOM 340 CB VAL B 2 5.382 2.071 11.271 1.00 0.13 C ATOM 341 CG1 VAL B 2 5.637 0.671 10.716 1.00 0.13 C ATOM 342 CG2 VAL B 2 3.873 2.308 11.371 1.00 0.13 C ATOM 0 H VAL B 2 6.306 0.278 13.578 1.00 0.13 H new ATOM 0 HA VAL B 2 7.120 2.155 12.545 1.00 0.13 H new ATOM 0 HB VAL B 2 5.812 2.823 10.610 1.00 0.13 H new ATOM 0 HG11 VAL B 2 5.176 0.580 9.732 1.00 0.13 H new ATOM 0 HG12 VAL B 2 6.711 0.503 10.631 1.00 0.13 H new ATOM 0 HG13 VAL B 2 5.206 -0.071 11.388 1.00 0.13 H new ATOM 0 HG21 VAL B 2 3.425 2.223 10.381 1.00 0.13 H new ATOM 0 HG22 VAL B 2 3.431 1.565 12.034 1.00 0.13 H new ATOM 0 HG23 VAL B 2 3.687 3.306 11.769 1.00 0.13 H new ATOM 352 N ASN B 3 5.604 4.577 12.539 1.00 0.27 N ATOM 353 CA ASN B 3 5.290 5.913 13.113 1.00 0.27 C ATOM 354 C ASN B 3 4.609 6.780 12.052 1.00 0.27 C ATOM 355 O ASN B 3 4.278 6.322 10.976 1.00 0.27 O ATOM 356 CB ASN B 3 6.601 6.581 13.538 1.00 0.27 C ATOM 357 CG ASN B 3 6.359 7.474 14.754 1.00 0.27 C ATOM 358 OD1 ASN B 3 6.596 8.666 14.701 1.00 0.27 O ATOM 359 ND2 ASN B 3 5.891 6.949 15.854 1.00 0.27 N ATOM 0 H ASN B 3 5.746 4.562 11.529 1.00 0.27 H new ATOM 0 HA ASN B 3 4.625 5.801 13.970 1.00 0.27 H new ATOM 0 HB2 ASN B 3 7.346 5.822 13.776 1.00 0.27 H new ATOM 0 HB3 ASN B 3 7.001 7.173 12.715 1.00 0.27 H new ATOM 0 HD21 ASN B 3 5.724 7.538 16.670 1.00 0.27 H new ATOM 0 HD22 ASN B 3 5.692 5.949 15.898 1.00 0.27 H new ATOM 366 N GLN B 4 4.414 8.037 12.347 1.00 0.20 N ATOM 367 CA GLN B 4 3.776 8.965 11.371 1.00 0.20 C ATOM 368 C GLN B 4 4.527 8.892 10.032 1.00 0.20 C ATOM 369 O GLN B 4 3.946 9.011 8.974 1.00 0.20 O ATOM 370 CB GLN B 4 3.858 10.388 11.949 1.00 0.20 C ATOM 371 CG GLN B 4 3.370 11.420 10.928 1.00 0.20 C ATOM 372 CD GLN B 4 3.222 12.783 11.607 1.00 0.20 C ATOM 373 OE1 GLN B 4 3.793 13.762 11.161 1.00 0.20 O ATOM 374 NE2 GLN B 4 2.481 12.890 12.677 1.00 0.20 N ATOM 0 H GLN B 4 4.674 8.465 13.236 1.00 0.20 H new ATOM 0 HA GLN B 4 2.735 8.691 11.200 1.00 0.20 H new ATOM 0 HB2 GLN B 4 3.255 10.453 12.855 1.00 0.20 H new ATOM 0 HB3 GLN B 4 4.886 10.611 12.234 1.00 0.20 H new ATOM 0 HG2 GLN B 4 4.076 11.489 10.100 1.00 0.20 H new ATOM 0 HG3 GLN B 4 2.415 11.106 10.507 1.00 0.20 H new ATOM 0 HE21 GLN B 4 2.003 12.070 13.050 1.00 0.20 H new ATOM 0 HE22 GLN B 4 2.380 13.794 13.139 1.00 0.20 H new ATOM 383 N HIS B 5 5.817 8.709 10.082 1.00 0.14 N ATOM 384 CA HIS B 5 6.616 8.643 8.829 1.00 0.14 C ATOM 385 C HIS B 5 6.017 7.612 7.864 1.00 0.14 C ATOM 386 O HIS B 5 6.252 7.664 6.675 1.00 0.14 O ATOM 387 CB HIS B 5 8.054 8.256 9.169 1.00 0.14 C ATOM 388 CG HIS B 5 8.952 8.631 8.027 1.00 0.14 C ATOM 389 ND1 HIS B 5 9.192 9.949 7.679 1.00 0.14 N ATOM 390 CD2 HIS B 5 9.670 7.872 7.139 1.00 0.14 C ATOM 391 CE1 HIS B 5 10.024 9.942 6.622 1.00 0.14 C ATOM 392 NE2 HIS B 5 10.347 8.702 6.253 1.00 0.14 N ATOM 0 H HIS B 5 6.354 8.602 10.942 1.00 0.14 H new ATOM 0 HA HIS B 5 6.601 9.620 8.346 1.00 0.14 H new ATOM 0 HB2 HIS B 5 8.374 8.763 10.079 1.00 0.14 H new ATOM 0 HB3 HIS B 5 8.119 7.185 9.361 1.00 0.14 H new ATOM 0 HD1 HIS B 5 8.808 10.774 8.140 1.00 0.14 H new ATOM 0 HD2 HIS B 5 9.704 6.793 7.129 1.00 0.14 H new ATOM 0 HE1 HIS B 5 10.387 10.833 6.131 1.00 0.14 H new ATOM 400 N LEU B 6 5.259 6.671 8.359 1.00 0.06 N ATOM 401 CA LEU B 6 4.658 5.644 7.454 1.00 0.06 C ATOM 402 C LEU B 6 3.126 5.726 7.515 1.00 0.06 C ATOM 403 O LEU B 6 2.439 5.405 6.567 1.00 0.06 O ATOM 404 CB LEU B 6 5.109 4.250 7.893 1.00 0.06 C ATOM 405 CG LEU B 6 6.529 3.992 7.395 1.00 0.06 C ATOM 406 CD1 LEU B 6 6.987 2.607 7.855 1.00 0.06 C ATOM 407 CD2 LEU B 6 6.552 4.050 5.867 1.00 0.06 C ATOM 0 H LEU B 6 5.029 6.567 9.347 1.00 0.06 H new ATOM 0 HA LEU B 6 4.988 5.832 6.432 1.00 0.06 H new ATOM 0 HB2 LEU B 6 5.074 4.170 8.980 1.00 0.06 H new ATOM 0 HB3 LEU B 6 4.430 3.495 7.496 1.00 0.06 H new ATOM 0 HG LEU B 6 7.198 4.751 7.800 1.00 0.06 H new ATOM 0 HD11 LEU B 6 8.001 2.422 7.500 1.00 0.06 H new ATOM 0 HD12 LEU B 6 6.970 2.561 8.944 1.00 0.06 H new ATOM 0 HD13 LEU B 6 6.317 1.849 7.450 1.00 0.06 H new ATOM 0 HD21 LEU B 6 7.566 3.866 5.511 1.00 0.06 H new ATOM 0 HD22 LEU B 6 5.882 3.290 5.464 1.00 0.06 H new ATOM 0 HD23 LEU B 6 6.224 5.035 5.535 1.00 0.06 H new ATOM 419 N CYS B 7 2.591 6.146 8.628 1.00 0.04 N ATOM 420 CA CYS B 7 1.113 6.251 8.777 1.00 0.04 C ATOM 421 C CYS B 7 0.573 7.340 7.839 1.00 0.04 C ATOM 422 O CYS B 7 -0.420 7.156 7.165 1.00 0.04 O ATOM 423 CB CYS B 7 0.824 6.612 10.241 1.00 0.04 C ATOM 424 SG CYS B 7 -0.934 6.952 10.520 1.00 0.04 S ATOM 0 H CYS B 7 3.124 6.425 9.452 1.00 0.04 H new ATOM 0 HA CYS B 7 0.626 5.311 8.516 1.00 0.04 H new ATOM 0 HB2 CYS B 7 1.142 5.793 10.886 1.00 0.04 H new ATOM 0 HB3 CYS B 7 1.412 7.486 10.522 1.00 0.04 H new ATOM 429 N GLY B 8 1.215 8.476 7.803 1.00 0.00 N ATOM 430 CA GLY B 8 0.737 9.585 6.924 1.00 0.00 C ATOM 431 C GLY B 8 0.748 9.151 5.455 1.00 0.00 C ATOM 432 O GLY B 8 -0.058 9.603 4.666 1.00 0.00 O ATOM 0 H GLY B 8 2.053 8.686 8.346 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -0.272 9.878 7.215 1.00 0.00 H new ATOM 0 HA3 GLY B 8 1.373 10.460 7.055 1.00 0.00 H new ATOM 436 N SER B 9 1.655 8.292 5.076 1.00 0.01 N ATOM 437 CA SER B 9 1.709 7.851 3.650 1.00 0.01 C ATOM 438 C SER B 9 0.359 7.273 3.228 1.00 0.01 C ATOM 439 O SER B 9 0.037 7.224 2.059 1.00 0.01 O ATOM 440 CB SER B 9 2.778 6.763 3.479 1.00 0.01 C ATOM 441 OG SER B 9 2.256 5.517 3.924 1.00 0.01 O ATOM 0 H SER B 9 2.358 7.877 5.688 1.00 0.01 H new ATOM 0 HA SER B 9 1.952 8.715 3.031 1.00 0.01 H new ATOM 0 HB2 SER B 9 3.077 6.692 2.433 1.00 0.01 H new ATOM 0 HB3 SER B 9 3.670 7.021 4.049 1.00 0.01 H new ATOM 0 HG SER B 9 2.231 5.504 4.904 1.00 0.01 H new ATOM 447 N HIS B 10 -0.419 6.802 4.163 1.00 0.11 N ATOM 448 CA HIS B 10 -1.726 6.195 3.791 1.00 0.11 C ATOM 449 C HIS B 10 -2.876 7.149 4.103 1.00 0.11 C ATOM 450 O HIS B 10 -3.956 7.013 3.564 1.00 0.11 O ATOM 451 CB HIS B 10 -1.893 4.880 4.544 1.00 0.11 C ATOM 452 CG HIS B 10 -0.785 3.956 4.122 1.00 0.11 C ATOM 453 ND1 HIS B 10 -0.756 3.364 2.868 1.00 0.11 N ATOM 454 CD2 HIS B 10 0.358 3.542 4.759 1.00 0.11 C ATOM 455 CE1 HIS B 10 0.372 2.636 2.790 1.00 0.11 C ATOM 456 NE2 HIS B 10 1.088 2.709 3.915 1.00 0.11 N ATOM 0 H HIS B 10 -0.208 6.811 5.161 1.00 0.11 H new ATOM 0 HA HIS B 10 -1.743 6.002 2.718 1.00 0.11 H new ATOM 0 HB2 HIS B 10 -1.857 5.050 5.620 1.00 0.11 H new ATOM 0 HB3 HIS B 10 -2.864 4.436 4.324 1.00 0.11 H new ATOM 0 HD1 HIS B 10 -1.462 3.463 2.138 1.00 0.11 H new ATOM 0 HD2 HIS B 10 0.647 3.820 5.762 1.00 0.11 H new ATOM 0 HE1 HIS B 10 0.664 2.062 1.923 1.00 0.11 H new ATOM 464 N LEU B 11 -2.659 8.127 4.943 1.00 0.01 N ATOM 465 CA LEU B 11 -3.754 9.092 5.238 1.00 0.01 C ATOM 466 C LEU B 11 -3.969 9.934 3.985 1.00 0.01 C ATOM 467 O LEU B 11 -5.070 10.337 3.667 1.00 0.01 O ATOM 468 CB LEU B 11 -3.363 10.016 6.397 1.00 0.01 C ATOM 469 CG LEU B 11 -2.915 9.198 7.607 1.00 0.01 C ATOM 470 CD1 LEU B 11 -2.536 10.149 8.741 1.00 0.01 C ATOM 471 CD2 LEU B 11 -4.054 8.297 8.074 1.00 0.01 C ATOM 0 H LEU B 11 -1.780 8.297 5.432 1.00 0.01 H new ATOM 0 HA LEU B 11 -4.658 8.552 5.519 1.00 0.01 H new ATOM 0 HB2 LEU B 11 -2.559 10.682 6.083 1.00 0.01 H new ATOM 0 HB3 LEU B 11 -4.210 10.645 6.670 1.00 0.01 H new ATOM 0 HG LEU B 11 -2.058 8.584 7.330 1.00 0.01 H new ATOM 0 HD11 LEU B 11 -2.215 9.572 9.608 1.00 0.01 H new ATOM 0 HD12 LEU B 11 -1.722 10.797 8.416 1.00 0.01 H new ATOM 0 HD13 LEU B 11 -3.400 10.757 9.010 1.00 0.01 H new ATOM 0 HD21 LEU B 11 -3.728 7.716 8.937 1.00 0.01 H new ATOM 0 HD22 LEU B 11 -4.912 8.909 8.352 1.00 0.01 H new ATOM 0 HD23 LEU B 11 -4.337 7.621 7.267 1.00 0.01 H new ATOM 483 N VAL B 12 -2.906 10.201 3.277 1.00 0.00 N ATOM 484 CA VAL B 12 -3.007 11.020 2.037 1.00 0.00 C ATOM 485 C VAL B 12 -3.832 10.276 0.982 1.00 0.00 C ATOM 486 O VAL B 12 -4.573 10.872 0.230 1.00 0.00 O ATOM 487 CB VAL B 12 -1.610 11.288 1.480 1.00 0.00 C ATOM 488 CG1 VAL B 12 -0.816 12.143 2.469 1.00 0.00 C ATOM 489 CG2 VAL B 12 -0.889 9.959 1.250 1.00 0.00 C ATOM 0 H VAL B 12 -1.964 9.884 3.507 1.00 0.00 H new ATOM 0 HA VAL B 12 -3.494 11.964 2.279 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.694 11.822 0.533 1.00 0.00 H new ATOM 0 HG11 VAL B 12 0.180 12.332 2.069 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -1.331 13.091 2.625 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -0.731 11.616 3.419 1.00 0.00 H new ATOM 0 HG21 VAL B 12 0.108 10.150 0.853 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -0.806 9.422 2.195 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.454 9.357 0.539 1.00 0.00 H new ATOM 499 N GLU B 13 -3.701 8.980 0.912 1.00 0.09 N ATOM 500 CA GLU B 13 -4.469 8.204 -0.102 1.00 0.09 C ATOM 501 C GLU B 13 -5.958 8.502 0.037 1.00 0.09 C ATOM 502 O GLU B 13 -6.633 8.795 -0.928 1.00 0.09 O ATOM 503 CB GLU B 13 -4.232 6.710 0.111 1.00 0.09 C ATOM 504 CG GLU B 13 -2.731 6.426 0.104 1.00 0.09 C ATOM 505 CD GLU B 13 -2.501 4.926 -0.078 1.00 0.09 C ATOM 506 OE1 GLU B 13 -2.594 4.208 0.905 1.00 0.09 O ATOM 507 OE2 GLU B 13 -2.239 4.519 -1.198 1.00 0.09 O ATOM 0 H GLU B 13 -3.094 8.424 1.514 1.00 0.09 H new ATOM 0 HA GLU B 13 -4.134 8.490 -1.099 1.00 0.09 H new ATOM 0 HB2 GLU B 13 -4.668 6.393 1.058 1.00 0.09 H new ATOM 0 HB3 GLU B 13 -4.725 6.137 -0.674 1.00 0.09 H new ATOM 0 HG2 GLU B 13 -2.248 6.980 -0.701 1.00 0.09 H new ATOM 0 HG3 GLU B 13 -2.281 6.764 1.038 1.00 0.09 H new ATOM 514 N ALA B 14 -6.478 8.425 1.228 1.00 0.01 N ATOM 515 CA ALA B 14 -7.924 8.704 1.426 1.00 0.01 C ATOM 516 C ALA B 14 -8.173 10.204 1.291 1.00 0.01 C ATOM 517 O ALA B 14 -9.243 10.634 0.915 1.00 0.01 O ATOM 518 CB ALA B 14 -8.341 8.243 2.822 1.00 0.01 C ATOM 0 H ALA B 14 -5.963 8.181 2.074 1.00 0.01 H new ATOM 0 HA ALA B 14 -8.506 8.169 0.676 1.00 0.01 H new ATOM 0 HB1 ALA B 14 -9.402 8.446 2.971 1.00 0.01 H new ATOM 0 HB2 ALA B 14 -8.159 7.173 2.921 1.00 0.01 H new ATOM 0 HB3 ALA B 14 -7.760 8.781 3.571 1.00 0.01 H new ATOM 524 N LEU B 15 -7.193 11.003 1.603 1.00 0.00 N ATOM 525 CA LEU B 15 -7.369 12.478 1.505 1.00 0.00 C ATOM 526 C LEU B 15 -7.721 12.873 0.073 1.00 0.00 C ATOM 527 O LEU B 15 -8.786 13.400 -0.182 1.00 0.00 O ATOM 528 CB LEU B 15 -6.071 13.182 1.890 1.00 0.00 C ATOM 529 CG LEU B 15 -6.094 13.557 3.372 1.00 0.00 C ATOM 530 CD1 LEU B 15 -4.711 14.057 3.790 1.00 0.00 C ATOM 531 CD2 LEU B 15 -7.120 14.668 3.602 1.00 0.00 C ATOM 0 H LEU B 15 -6.274 10.697 1.923 1.00 0.00 H new ATOM 0 HA LEU B 15 -8.173 12.773 2.180 1.00 0.00 H new ATOM 0 HB2 LEU B 15 -5.221 12.531 1.685 1.00 0.00 H new ATOM 0 HB3 LEU B 15 -5.940 14.078 1.283 1.00 0.00 H new ATOM 0 HG LEU B 15 -6.364 12.682 3.963 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -4.725 14.325 4.846 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -3.975 13.271 3.625 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -4.446 14.932 3.197 1.00 0.00 H new ATOM 0 HD21 LEU B 15 -7.136 14.935 4.659 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -6.848 15.542 3.011 1.00 0.00 H new ATOM 0 HD23 LEU B 15 -8.108 14.319 3.301 1.00 0.00 H new ATOM 543 N TYR B 16 -6.829 12.657 -0.862 1.00 0.00 N ATOM 544 CA TYR B 16 -7.132 13.065 -2.260 1.00 0.00 C ATOM 545 C TYR B 16 -8.201 12.153 -2.875 1.00 0.00 C ATOM 546 O TYR B 16 -8.788 12.483 -3.888 1.00 0.00 O ATOM 547 CB TYR B 16 -5.833 13.152 -3.091 1.00 0.00 C ATOM 548 CG TYR B 16 -5.435 11.859 -3.770 1.00 0.00 C ATOM 549 CD1 TYR B 16 -5.032 10.702 -2.990 1.00 0.00 C ATOM 550 CD2 TYR B 16 -5.397 11.807 -5.223 1.00 0.00 C ATOM 551 CE1 TYR B 16 -4.585 9.489 -3.664 1.00 0.00 C ATOM 552 CE2 TYR B 16 -4.965 10.596 -5.896 1.00 0.00 C ATOM 553 CZ TYR B 16 -4.555 9.439 -5.121 1.00 0.00 C ATOM 554 OH TYR B 16 -4.119 8.304 -5.770 1.00 0.00 O ATOM 0 H TYR B 16 -5.918 12.222 -0.717 1.00 0.00 H new ATOM 0 HA TYR B 16 -7.561 14.067 -2.261 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -5.954 13.924 -3.851 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -5.020 13.470 -2.439 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -5.063 10.740 -1.911 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -5.691 12.670 -5.802 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -4.277 8.630 -3.086 1.00 0.00 H new ATOM 0 HE2 TYR B 16 -4.949 10.555 -6.975 1.00 0.00 H new ATOM 0 HH TYR B 16 -4.837 7.638 -5.782 1.00 0.00 H new ATOM 564 N LEU B 17 -8.513 11.049 -2.245 1.00 0.10 N ATOM 565 CA LEU B 17 -9.596 10.187 -2.777 1.00 0.10 C ATOM 566 C LEU B 17 -10.917 10.895 -2.468 1.00 0.10 C ATOM 567 O LEU B 17 -11.853 10.875 -3.240 1.00 0.10 O ATOM 568 CB LEU B 17 -9.564 8.825 -2.084 1.00 0.10 C ATOM 569 CG LEU B 17 -10.350 7.813 -2.914 1.00 0.10 C ATOM 570 CD1 LEU B 17 -9.603 6.480 -2.934 1.00 0.10 C ATOM 571 CD2 LEU B 17 -11.731 7.611 -2.290 1.00 0.10 C ATOM 0 H LEU B 17 -8.065 10.714 -1.392 1.00 0.10 H new ATOM 0 HA LEU B 17 -9.478 10.025 -3.848 1.00 0.10 H new ATOM 0 HB2 LEU B 17 -8.534 8.491 -1.963 1.00 0.10 H new ATOM 0 HB3 LEU B 17 -9.993 8.903 -1.085 1.00 0.10 H new ATOM 0 HG LEU B 17 -10.459 8.184 -3.933 1.00 0.10 H new ATOM 0 HD11 LEU B 17 -10.164 5.757 -3.527 1.00 0.10 H new ATOM 0 HD12 LEU B 17 -8.616 6.622 -3.375 1.00 0.10 H new ATOM 0 HD13 LEU B 17 -9.495 6.108 -1.915 1.00 0.10 H new ATOM 0 HD21 LEU B 17 -12.295 6.889 -2.880 1.00 0.10 H new ATOM 0 HD22 LEU B 17 -11.619 7.239 -1.272 1.00 0.10 H new ATOM 0 HD23 LEU B 17 -12.265 8.561 -2.272 1.00 0.10 H new ATOM 583 N VAL B 18 -10.974 11.551 -1.336 1.00 0.14 N ATOM 584 CA VAL B 18 -12.201 12.299 -0.951 1.00 0.14 C ATOM 585 C VAL B 18 -12.239 13.608 -1.743 1.00 0.14 C ATOM 586 O VAL B 18 -13.287 14.082 -2.133 1.00 0.14 O ATOM 587 CB VAL B 18 -12.156 12.608 0.551 1.00 0.14 C ATOM 588 CG1 VAL B 18 -13.366 13.459 0.950 1.00 0.14 C ATOM 589 CG2 VAL B 18 -12.179 11.298 1.340 1.00 0.14 C ATOM 0 H VAL B 18 -10.213 11.598 -0.658 1.00 0.14 H new ATOM 0 HA VAL B 18 -13.089 11.706 -1.168 1.00 0.14 H new ATOM 0 HB VAL B 18 -11.242 13.159 0.773 1.00 0.14 H new ATOM 0 HG11 VAL B 18 -13.324 13.673 2.018 1.00 0.14 H new ATOM 0 HG12 VAL B 18 -13.352 14.395 0.392 1.00 0.14 H new ATOM 0 HG13 VAL B 18 -14.283 12.915 0.724 1.00 0.14 H new ATOM 0 HG21 VAL B 18 -12.147 11.516 2.408 1.00 0.14 H new ATOM 0 HG22 VAL B 18 -13.092 10.750 1.109 1.00 0.14 H new ATOM 0 HG23 VAL B 18 -11.314 10.694 1.067 1.00 0.14 H new ATOM 599 N CYS B 19 -11.098 14.191 -1.986 1.00 0.06 N ATOM 600 CA CYS B 19 -11.059 15.463 -2.759 1.00 0.06 C ATOM 601 C CYS B 19 -11.321 15.170 -4.237 1.00 0.06 C ATOM 602 O CYS B 19 -11.744 16.029 -4.985 1.00 0.06 O ATOM 603 CB CYS B 19 -9.681 16.105 -2.611 1.00 0.06 C ATOM 604 SG CYS B 19 -9.549 16.888 -0.987 1.00 0.06 S ATOM 0 H CYS B 19 -10.190 13.841 -1.682 1.00 0.06 H new ATOM 0 HA CYS B 19 -11.823 16.141 -2.379 1.00 0.06 H new ATOM 0 HB2 CYS B 19 -8.903 15.351 -2.727 1.00 0.06 H new ATOM 0 HB3 CYS B 19 -9.527 16.845 -3.396 1.00 0.06 H new ATOM 609 N GLY B 20 -11.074 13.964 -4.669 1.00 0.13 N ATOM 610 CA GLY B 20 -11.313 13.626 -6.097 1.00 0.13 C ATOM 611 C GLY B 20 -10.224 14.259 -6.959 1.00 0.13 C ATOM 612 O GLY B 20 -9.059 13.931 -6.848 1.00 0.13 O ATOM 0 H GLY B 20 -10.718 13.200 -4.095 1.00 0.13 H new ATOM 0 HA2 GLY B 20 -11.314 12.544 -6.230 1.00 0.13 H new ATOM 0 HA3 GLY B 20 -12.293 13.987 -6.408 1.00 0.13 H new ATOM 616 N GLU B 21 -10.595 15.163 -7.819 1.00 0.48 N ATOM 617 CA GLU B 21 -9.584 15.820 -8.692 1.00 0.48 C ATOM 618 C GLU B 21 -8.927 16.979 -7.939 1.00 0.48 C ATOM 619 O GLU B 21 -7.839 17.407 -8.270 1.00 0.48 O ATOM 620 CB GLU B 21 -10.276 16.349 -9.949 1.00 0.48 C ATOM 621 CG GLU B 21 -11.091 15.222 -10.591 1.00 0.48 C ATOM 622 CD GLU B 21 -11.286 15.516 -12.080 1.00 0.48 C ATOM 623 OE1 GLU B 21 -10.297 15.770 -12.749 1.00 0.48 O ATOM 624 OE2 GLU B 21 -12.424 15.482 -12.526 1.00 0.48 O ATOM 0 H GLU B 21 -11.556 15.476 -7.956 1.00 0.48 H new ATOM 0 HA GLU B 21 -8.817 15.098 -8.972 1.00 0.48 H new ATOM 0 HB2 GLU B 21 -10.928 17.185 -9.695 1.00 0.48 H new ATOM 0 HB3 GLU B 21 -9.535 16.725 -10.655 1.00 0.48 H new ATOM 0 HG2 GLU B 21 -10.578 14.269 -10.462 1.00 0.48 H new ATOM 0 HG3 GLU B 21 -12.059 15.132 -10.098 1.00 0.48 H new ATOM 631 N ARG B 22 -9.575 17.494 -6.929 1.00 0.29 N ATOM 632 CA ARG B 22 -8.981 18.624 -6.165 1.00 0.29 C ATOM 633 C ARG B 22 -7.639 18.192 -5.577 1.00 0.29 C ATOM 634 O ARG B 22 -7.223 17.057 -5.716 1.00 0.29 O ATOM 635 CB ARG B 22 -9.925 19.018 -5.031 1.00 0.29 C ATOM 636 CG ARG B 22 -11.032 19.913 -5.580 1.00 0.29 C ATOM 637 CD ARG B 22 -11.652 20.711 -4.434 1.00 0.29 C ATOM 638 NE ARG B 22 -12.545 19.824 -3.641 1.00 0.29 N ATOM 639 CZ ARG B 22 -13.380 20.343 -2.784 1.00 0.29 C ATOM 640 NH1 ARG B 22 -12.936 21.094 -1.812 1.00 0.29 N ATOM 641 NH2 ARG B 22 -14.661 20.114 -2.899 1.00 0.29 N ATOM 0 H ARG B 22 -10.489 17.180 -6.602 1.00 0.29 H new ATOM 0 HA ARG B 22 -8.831 19.474 -6.830 1.00 0.29 H new ATOM 0 HB2 ARG B 22 -10.356 18.126 -4.575 1.00 0.29 H new ATOM 0 HB3 ARG B 22 -9.374 19.541 -4.249 1.00 0.29 H new ATOM 0 HG2 ARG B 22 -10.628 20.590 -6.333 1.00 0.29 H new ATOM 0 HG3 ARG B 22 -11.794 19.308 -6.071 1.00 0.29 H new ATOM 0 HD2 ARG B 22 -10.869 21.121 -3.796 1.00 0.29 H new ATOM 0 HD3 ARG B 22 -12.217 21.556 -4.828 1.00 0.29 H new ATOM 0 HE ARG B 22 -12.504 18.813 -3.767 1.00 0.29 H new ATOM 0 HH11 ARG B 22 -11.936 21.275 -1.723 1.00 0.29 H new ATOM 0 HH12 ARG B 22 -13.589 21.500 -1.142 1.00 0.29 H new ATOM 0 HH21 ARG B 22 -15.008 19.529 -3.659 1.00 0.29 H new ATOM 0 HH22 ARG B 22 -15.314 20.520 -2.229 1.00 0.29 H new ATOM 655 N GLY B 23 -6.959 19.087 -4.917 1.00 0.01 N ATOM 656 CA GLY B 23 -5.645 18.730 -4.316 1.00 0.01 C ATOM 657 C GLY B 23 -5.658 19.067 -2.825 1.00 0.01 C ATOM 658 O GLY B 23 -6.661 19.493 -2.284 1.00 0.01 O ATOM 0 H GLY B 23 -7.257 20.051 -4.768 1.00 0.01 H new ATOM 0 HA2 GLY B 23 -5.445 17.668 -4.458 1.00 0.01 H new ATOM 0 HA3 GLY B 23 -4.844 19.275 -4.816 1.00 0.01 H new ATOM 662 N PHE B 24 -4.554 18.885 -2.153 1.00 0.00 N ATOM 663 CA PHE B 24 -4.515 19.202 -0.698 1.00 0.00 C ATOM 664 C PHE B 24 -3.063 19.423 -0.253 1.00 0.00 C ATOM 665 O PHE B 24 -2.131 19.037 -0.927 1.00 0.00 O ATOM 666 CB PHE B 24 -5.137 18.038 0.091 1.00 0.00 C ATOM 667 CG PHE B 24 -4.304 16.783 -0.073 1.00 0.00 C ATOM 668 CD1 PHE B 24 -4.168 16.161 -1.379 1.00 0.00 C ATOM 669 CD2 PHE B 24 -3.629 16.211 1.080 1.00 0.00 C ATOM 670 CE1 PHE B 24 -3.355 14.963 -1.531 1.00 0.00 C ATOM 671 CE2 PHE B 24 -2.818 15.013 0.927 1.00 0.00 C ATOM 672 CZ PHE B 24 -2.682 14.389 -0.379 1.00 0.00 C ATOM 0 H PHE B 24 -3.682 18.532 -2.547 1.00 0.00 H new ATOM 0 HA PHE B 24 -5.083 20.112 -0.507 1.00 0.00 H new ATOM 0 HB2 PHE B 24 -5.205 18.301 1.147 1.00 0.00 H new ATOM 0 HB3 PHE B 24 -6.153 17.856 -0.258 1.00 0.00 H new ATOM 0 HD1 PHE B 24 -4.669 16.587 -2.236 1.00 0.00 H new ATOM 0 HD2 PHE B 24 -3.729 16.675 2.050 1.00 0.00 H new ATOM 0 HE1 PHE B 24 -3.252 14.501 -2.502 1.00 0.00 H new ATOM 0 HE2 PHE B 24 -2.317 14.587 1.784 1.00 0.00 H new ATOM 0 HZ PHE B 24 -2.081 13.499 -0.493 1.00 0.00 H new ATOM 682 N PHE B 25 -2.869 20.023 0.885 1.00 0.33 N ATOM 683 CA PHE B 25 -1.482 20.245 1.379 1.00 0.33 C ATOM 684 C PHE B 25 -1.232 19.327 2.573 1.00 0.33 C ATOM 685 O PHE B 25 -1.950 19.352 3.551 1.00 0.33 O ATOM 686 CB PHE B 25 -1.277 21.711 1.796 1.00 0.33 C ATOM 687 CG PHE B 25 -2.494 22.231 2.525 1.00 0.33 C ATOM 688 CD1 PHE B 25 -2.627 22.033 3.959 1.00 0.33 C ATOM 689 CD2 PHE B 25 -3.534 22.930 1.787 1.00 0.33 C ATOM 690 CE1 PHE B 25 -3.802 22.534 4.657 1.00 0.33 C ATOM 691 CE2 PHE B 25 -4.708 23.430 2.483 1.00 0.33 C ATOM 692 CZ PHE B 25 -4.843 23.233 3.918 1.00 0.33 C ATOM 0 H PHE B 25 -3.609 20.370 1.495 1.00 0.33 H new ATOM 0 HA PHE B 25 -0.778 20.020 0.578 1.00 0.33 H new ATOM 0 HB2 PHE B 25 -0.399 21.793 2.437 1.00 0.33 H new ATOM 0 HB3 PHE B 25 -1.086 22.322 0.914 1.00 0.33 H new ATOM 0 HD1 PHE B 25 -1.854 21.514 4.506 1.00 0.33 H new ATOM 0 HD2 PHE B 25 -3.434 23.078 0.722 1.00 0.33 H new ATOM 0 HE1 PHE B 25 -3.901 22.387 5.722 1.00 0.33 H new ATOM 0 HE2 PHE B 25 -5.481 23.948 1.934 1.00 0.33 H new ATOM 0 HZ PHE B 25 -5.715 23.605 4.435 1.00 0.33 H new ATOM 702 N TYR B 26 -0.228 18.500 2.493 1.00 0.00 N ATOM 703 CA TYR B 26 0.061 17.566 3.613 1.00 0.00 C ATOM 704 C TYR B 26 1.340 17.993 4.332 1.00 0.00 C ATOM 705 O TYR B 26 2.416 17.973 3.771 1.00 0.00 O ATOM 706 CB TYR B 26 0.244 16.157 3.052 1.00 0.00 C ATOM 707 CG TYR B 26 0.273 15.164 4.186 1.00 0.00 C ATOM 708 CD1 TYR B 26 -0.970 14.730 4.802 1.00 0.00 C ATOM 709 CD2 TYR B 26 1.544 14.638 4.660 1.00 0.00 C ATOM 710 CE1 TYR B 26 -0.943 13.770 5.893 1.00 0.00 C ATOM 711 CE2 TYR B 26 1.570 13.679 5.752 1.00 0.00 C ATOM 712 CZ TYR B 26 0.327 13.244 6.370 1.00 0.00 C ATOM 713 OH TYR B 26 0.351 12.334 7.406 1.00 0.00 O ATOM 0 H TYR B 26 0.406 18.431 1.697 1.00 0.00 H new ATOM 0 HA TYR B 26 -0.768 17.582 4.320 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -0.569 15.919 2.367 1.00 0.00 H new ATOM 0 HB3 TYR B 26 1.170 16.099 2.480 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -1.913 15.121 4.449 1.00 0.00 H new ATOM 0 HD2 TYR B 26 2.467 14.960 4.201 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -1.867 13.447 6.350 1.00 0.00 H new ATOM 0 HE2 TYR B 26 2.513 13.289 6.105 1.00 0.00 H new ATOM 0 HH TYR B 26 1.185 12.435 7.911 1.00 0.00 H new ATOM 723 N THR B 27 1.234 18.370 5.575 1.00 0.23 N ATOM 724 CA THR B 27 2.447 18.789 6.330 1.00 0.23 C ATOM 725 C THR B 27 2.560 17.957 7.624 1.00 0.23 C ATOM 726 O THR B 27 1.911 18.278 8.599 1.00 0.23 O ATOM 727 CB THR B 27 2.345 20.274 6.681 1.00 0.23 C ATOM 728 OG1 THR B 27 1.108 20.519 7.336 1.00 0.23 O ATOM 729 CG2 THR B 27 2.422 21.109 5.404 1.00 0.23 C ATOM 0 H THR B 27 0.361 18.406 6.101 1.00 0.23 H new ATOM 0 HA THR B 27 3.332 18.624 5.715 1.00 0.23 H new ATOM 0 HB THR B 27 3.168 20.549 7.341 1.00 0.23 H new ATOM 0 HG1 THR B 27 0.957 19.832 8.018 1.00 0.23 H new ATOM 0 HG21 THR B 27 2.349 22.167 5.656 1.00 0.23 H new ATOM 0 HG22 THR B 27 3.371 20.920 4.902 1.00 0.23 H new ATOM 0 HG23 THR B 27 1.601 20.837 4.741 1.00 0.23 H new ATOM 737 N PRO B 28 3.377 16.908 7.619 1.00 0.04 N ATOM 738 CA PRO B 28 3.545 16.062 8.814 1.00 0.04 C ATOM 739 C PRO B 28 4.485 16.746 9.806 1.00 0.04 C ATOM 740 O PRO B 28 5.524 16.221 10.158 1.00 0.04 O ATOM 741 CB PRO B 28 4.170 14.774 8.269 1.00 0.04 C ATOM 742 CG PRO B 28 4.850 15.149 6.932 1.00 0.04 C ATOM 743 CD PRO B 28 4.203 16.463 6.460 1.00 0.04 C ATOM 0 HA PRO B 28 2.612 15.876 9.345 1.00 0.04 H new ATOM 0 HB2 PRO B 28 4.896 14.367 8.973 1.00 0.04 H new ATOM 0 HB3 PRO B 28 3.410 14.008 8.116 1.00 0.04 H new ATOM 0 HG2 PRO B 28 5.925 15.273 7.066 1.00 0.04 H new ATOM 0 HG3 PRO B 28 4.710 14.361 6.192 1.00 0.04 H new ATOM 0 HD2 PRO B 28 4.957 17.206 6.201 1.00 0.04 H new ATOM 0 HD3 PRO B 28 3.590 16.308 5.572 1.00 0.04 H new ATOM 751 N LYS B 29 4.132 17.918 10.253 1.00 0.40 N ATOM 752 CA LYS B 29 5.008 18.641 11.213 1.00 0.40 C ATOM 753 C LYS B 29 4.189 19.702 11.952 1.00 0.40 C ATOM 754 O LYS B 29 4.292 20.883 11.676 1.00 0.40 O ATOM 755 CB LYS B 29 6.145 19.321 10.448 1.00 0.40 C ATOM 756 CG LYS B 29 7.069 20.037 11.435 1.00 0.40 C ATOM 757 CD LYS B 29 8.231 20.680 10.673 1.00 0.40 C ATOM 758 CE LYS B 29 7.724 21.910 9.915 1.00 0.40 C ATOM 759 NZ LYS B 29 8.451 22.030 8.618 1.00 0.40 N ATOM 0 H LYS B 29 3.274 18.406 9.995 1.00 0.40 H new ATOM 0 HA LYS B 29 5.421 17.934 11.932 1.00 0.40 H new ATOM 0 HB2 LYS B 29 6.707 18.581 9.878 1.00 0.40 H new ATOM 0 HB3 LYS B 29 5.739 20.034 9.731 1.00 0.40 H new ATOM 0 HG2 LYS B 29 6.514 20.799 11.982 1.00 0.40 H new ATOM 0 HG3 LYS B 29 7.450 19.329 12.171 1.00 0.40 H new ATOM 0 HD2 LYS B 29 9.021 20.967 11.367 1.00 0.40 H new ATOM 0 HD3 LYS B 29 8.664 19.963 9.976 1.00 0.40 H new ATOM 0 HE2 LYS B 29 6.652 21.824 9.737 1.00 0.40 H new ATOM 0 HE3 LYS B 29 7.877 22.808 10.514 1.00 0.40 H new ATOM 0 HZ1 LYS B 29 8.119 22.875 8.111 1.00 0.40 H new ATOM 0 HZ2 LYS B 29 9.472 22.114 8.799 1.00 0.40 H new ATOM 0 HZ3 LYS B 29 8.270 21.185 8.039 1.00 0.40 H new ATOM 773 N THR B 30 3.377 19.293 12.891 1.00 0.62 N ATOM 774 CA THR B 30 2.556 20.282 13.646 1.00 0.62 C ATOM 775 C THR B 30 3.483 21.217 14.425 1.00 0.62 C ATOM 776 O THR B 30 3.321 22.422 14.298 1.00 0.62 O ATOM 777 CB THR B 30 1.637 19.545 14.625 1.00 0.62 C ATOM 778 OG1 THR B 30 1.047 18.432 13.968 1.00 0.62 O ATOM 779 CG2 THR B 30 0.541 20.497 15.113 1.00 0.62 C ATOM 780 OXT THR B 30 4.339 20.713 15.137 1.00 0.62 O ATOM 0 H THR B 30 3.248 18.319 13.167 1.00 0.62 H new ATOM 0 HA THR B 30 1.951 20.862 12.949 1.00 0.62 H new ATOM 0 HB THR B 30 2.217 19.196 15.480 1.00 0.62 H new ATOM 0 HG1 THR B 30 0.460 17.957 14.592 1.00 0.62 H new ATOM 0 HG21 THR B 30 -0.113 19.972 15.810 1.00 0.62 H new ATOM 0 HG22 THR B 30 0.997 21.350 15.616 1.00 0.62 H new ATOM 0 HG23 THR B 30 -0.042 20.847 14.261 1.00 0.62 H new TER 788 THR B 30 ATOM 789 N GLY C 1 2.163 18.396 -14.068 1.00 0.29 N ATOM 790 CA GLY C 1 3.218 19.200 -13.387 1.00 0.29 C ATOM 791 C GLY C 1 4.053 18.286 -12.489 1.00 0.29 C ATOM 792 O GLY C 1 5.268 18.313 -12.515 1.00 0.29 O ATOM 0 H1 GLY C 1 2.168 18.608 -15.086 1.00 0.29 H new ATOM 0 H2 GLY C 1 2.351 17.383 -13.924 1.00 0.29 H new ATOM 0 H3 GLY C 1 1.233 18.635 -13.669 1.00 0.29 H new ATOM 0 HA2 GLY C 1 3.856 19.683 -14.127 1.00 0.29 H new ATOM 0 HA3 GLY C 1 2.761 19.992 -12.794 1.00 0.29 H new ATOM 798 N ILE C 2 3.413 17.473 -11.693 1.00 0.05 N ATOM 799 CA ILE C 2 4.175 16.558 -10.799 1.00 0.05 C ATOM 800 C ILE C 2 3.628 15.141 -10.946 1.00 0.05 C ATOM 801 O ILE C 2 4.368 14.180 -11.002 1.00 0.05 O ATOM 802 CB ILE C 2 4.018 17.016 -9.346 1.00 0.05 C ATOM 803 CG1 ILE C 2 4.774 16.059 -8.417 1.00 0.05 C ATOM 804 CG2 ILE C 2 2.536 17.018 -8.970 1.00 0.05 C ATOM 805 CD1 ILE C 2 4.643 16.540 -6.972 1.00 0.05 C ATOM 0 H ILE C 2 2.398 17.404 -11.624 1.00 0.05 H new ATOM 0 HA ILE C 2 5.230 16.574 -11.072 1.00 0.05 H new ATOM 0 HB ILE C 2 4.425 18.021 -9.240 1.00 0.05 H new ATOM 0 HG12 ILE C 2 4.373 15.050 -8.513 1.00 0.05 H new ATOM 0 HG13 ILE C 2 5.825 16.013 -8.702 1.00 0.05 H new ATOM 0 HG21 ILE C 2 2.423 17.344 -7.936 1.00 0.05 H new ATOM 0 HG22 ILE C 2 1.995 17.700 -9.626 1.00 0.05 H new ATOM 0 HG23 ILE C 2 2.132 16.012 -9.079 1.00 0.05 H new ATOM 0 HD11 ILE C 2 5.181 15.859 -6.312 1.00 0.05 H new ATOM 0 HD12 ILE C 2 5.065 17.541 -6.882 1.00 0.05 H new ATOM 0 HD13 ILE C 2 3.590 16.563 -6.690 1.00 0.05 H new ATOM 817 N VAL C 3 2.337 15.005 -10.997 1.00 0.01 N ATOM 818 CA VAL C 3 1.740 13.647 -11.130 1.00 0.01 C ATOM 819 C VAL C 3 2.117 13.062 -12.489 1.00 0.01 C ATOM 820 O VAL C 3 2.775 12.045 -12.581 1.00 0.01 O ATOM 821 CB VAL C 3 0.213 13.726 -11.020 1.00 0.01 C ATOM 822 CG1 VAL C 3 -0.328 12.339 -10.687 1.00 0.01 C ATOM 823 CG2 VAL C 3 -0.197 14.698 -9.905 1.00 0.01 C ATOM 0 H VAL C 3 1.667 15.773 -10.953 1.00 0.01 H new ATOM 0 HA VAL C 3 2.122 13.011 -10.331 1.00 0.01 H new ATOM 0 HB VAL C 3 -0.193 14.081 -11.967 1.00 0.01 H new ATOM 0 HG11 VAL C 3 -1.414 12.382 -10.606 1.00 0.01 H new ATOM 0 HG12 VAL C 3 -0.050 11.641 -11.477 1.00 0.01 H new ATOM 0 HG13 VAL C 3 0.093 12.002 -9.740 1.00 0.01 H new ATOM 0 HG21 VAL C 3 -1.284 14.741 -9.842 1.00 0.01 H new ATOM 0 HG22 VAL C 3 0.209 14.353 -8.954 1.00 0.01 H new ATOM 0 HG23 VAL C 3 0.193 15.691 -10.127 1.00 0.01 H new ATOM 833 N GLU C 4 1.703 13.697 -13.544 1.00 0.45 N ATOM 834 CA GLU C 4 2.035 13.185 -14.901 1.00 0.45 C ATOM 835 C GLU C 4 3.558 13.107 -15.083 1.00 0.45 C ATOM 836 O GLU C 4 4.050 12.442 -15.974 1.00 0.45 O ATOM 837 CB GLU C 4 1.450 14.136 -15.945 1.00 0.45 C ATOM 838 CG GLU C 4 0.999 13.336 -17.167 1.00 0.45 C ATOM 839 CD GLU C 4 1.360 14.108 -18.438 1.00 0.45 C ATOM 840 OE1 GLU C 4 1.239 15.324 -18.423 1.00 0.45 O ATOM 841 OE2 GLU C 4 1.754 13.470 -19.404 1.00 0.45 O ATOM 0 H GLU C 4 1.147 14.552 -13.527 1.00 0.45 H new ATOM 0 HA GLU C 4 1.614 12.187 -15.022 1.00 0.45 H new ATOM 0 HB2 GLU C 4 0.606 14.682 -15.523 1.00 0.45 H new ATOM 0 HB3 GLU C 4 2.195 14.876 -16.236 1.00 0.45 H new ATOM 0 HG2 GLU C 4 1.480 12.358 -17.173 1.00 0.45 H new ATOM 0 HG3 GLU C 4 -0.076 13.163 -17.126 1.00 0.45 H new ATOM 848 N GLN C 5 4.309 13.788 -14.263 1.00 0.24 N ATOM 849 CA GLN C 5 5.789 13.761 -14.410 1.00 0.24 C ATOM 850 C GLN C 5 6.384 12.571 -13.648 1.00 0.24 C ATOM 851 O GLN C 5 7.367 11.991 -14.062 1.00 0.24 O ATOM 852 CB GLN C 5 6.355 15.066 -13.841 1.00 0.24 C ATOM 853 CG GLN C 5 7.881 15.065 -13.941 1.00 0.24 C ATOM 854 CD GLN C 5 8.431 16.287 -13.207 1.00 0.24 C ATOM 855 OE1 GLN C 5 9.339 16.126 -12.284 1.00 0.24 O flip ATOM 856 NE2 GLN C 5 8.029 17.402 -13.476 1.00 0.24 N flip ATOM 0 H GLN C 5 3.960 14.363 -13.496 1.00 0.24 H new ATOM 0 HA GLN C 5 6.048 13.659 -15.464 1.00 0.24 H new ATOM 0 HB2 GLN C 5 5.948 15.917 -14.387 1.00 0.24 H new ATOM 0 HB3 GLN C 5 6.051 15.180 -12.800 1.00 0.24 H new ATOM 0 HG2 GLN C 5 8.286 14.151 -13.506 1.00 0.24 H new ATOM 0 HG3 GLN C 5 8.189 15.084 -14.986 1.00 0.24 H new ATOM 0 HE21 GLN C 5 7.319 17.528 -14.198 1.00 0.24 H new ATOM 0 HE22 GLN C 5 8.401 18.212 -12.980 1.00 0.24 H new ATOM 865 N CYS C 6 5.819 12.215 -12.526 1.00 0.01 N ATOM 866 CA CYS C 6 6.390 11.084 -11.740 1.00 0.01 C ATOM 867 C CYS C 6 5.544 9.825 -11.902 1.00 0.01 C ATOM 868 O CYS C 6 6.032 8.725 -11.722 1.00 0.01 O ATOM 869 CB CYS C 6 6.454 11.474 -10.263 1.00 0.01 C ATOM 870 SG CYS C 6 7.377 13.023 -10.085 1.00 0.01 S ATOM 0 H CYS C 6 4.992 12.655 -12.122 1.00 0.01 H new ATOM 0 HA CYS C 6 7.393 10.873 -12.112 1.00 0.01 H new ATOM 0 HB2 CYS C 6 5.447 11.591 -9.863 1.00 0.01 H new ATOM 0 HB3 CYS C 6 6.936 10.683 -9.688 1.00 0.01 H new ATOM 875 N CYS C 7 4.293 9.962 -12.246 1.00 0.07 N ATOM 876 CA CYS C 7 3.450 8.748 -12.425 1.00 0.07 C ATOM 877 C CYS C 7 3.776 8.065 -13.767 1.00 0.07 C ATOM 878 O CYS C 7 3.225 7.029 -14.084 1.00 0.07 O ATOM 879 CB CYS C 7 1.973 9.134 -12.387 1.00 0.07 C ATOM 880 SG CYS C 7 0.967 7.630 -12.445 1.00 0.07 S ATOM 0 H CYS C 7 3.823 10.852 -12.409 1.00 0.07 H new ATOM 0 HA CYS C 7 3.661 8.050 -11.615 1.00 0.07 H new ATOM 0 HB2 CYS C 7 1.755 9.698 -11.480 1.00 0.07 H new ATOM 0 HB3 CYS C 7 1.731 9.781 -13.230 1.00 0.07 H new ATOM 885 N THR C 8 4.666 8.613 -14.563 1.00 0.25 N ATOM 886 CA THR C 8 5.000 7.962 -15.858 1.00 0.25 C ATOM 887 C THR C 8 6.102 6.926 -15.635 1.00 0.25 C ATOM 888 O THR C 8 5.991 5.790 -16.046 1.00 0.25 O ATOM 889 CB THR C 8 5.490 9.019 -16.848 1.00 0.25 C ATOM 890 OG1 THR C 8 6.439 9.860 -16.209 1.00 0.25 O ATOM 891 CG2 THR C 8 4.305 9.855 -17.329 1.00 0.25 C ATOM 0 H THR C 8 5.170 9.478 -14.368 1.00 0.25 H new ATOM 0 HA THR C 8 4.113 7.472 -16.259 1.00 0.25 H new ATOM 0 HB THR C 8 5.957 8.530 -17.703 1.00 0.25 H new ATOM 0 HG1 THR C 8 6.755 10.537 -16.843 1.00 0.25 H new ATOM 0 HG21 THR C 8 4.654 10.609 -18.035 1.00 0.25 H new ATOM 0 HG22 THR C 8 3.578 9.208 -17.819 1.00 0.25 H new ATOM 0 HG23 THR C 8 3.836 10.346 -16.476 1.00 0.25 H new ATOM 899 N SER C 9 7.166 7.309 -14.984 1.00 0.29 N ATOM 900 CA SER C 9 8.271 6.342 -14.735 1.00 0.29 C ATOM 901 C SER C 9 9.062 6.772 -13.500 1.00 0.29 C ATOM 902 O SER C 9 10.265 6.628 -13.448 1.00 0.29 O ATOM 903 CB SER C 9 9.197 6.301 -15.948 1.00 0.29 C ATOM 904 OG SER C 9 8.422 6.064 -17.116 1.00 0.29 O ATOM 0 H SER C 9 7.317 8.248 -14.615 1.00 0.29 H new ATOM 0 HA SER C 9 7.852 5.350 -14.566 1.00 0.29 H new ATOM 0 HB2 SER C 9 9.738 7.243 -16.040 1.00 0.29 H new ATOM 0 HB3 SER C 9 9.943 5.516 -15.826 1.00 0.29 H new ATOM 0 HG SER C 9 7.584 5.620 -16.868 1.00 0.29 H new ATOM 910 N ILE C 10 8.385 7.290 -12.509 1.00 0.10 N ATOM 911 CA ILE C 10 9.068 7.727 -11.253 1.00 0.10 C ATOM 912 C ILE C 10 10.039 8.885 -11.541 1.00 0.10 C ATOM 913 O ILE C 10 10.746 8.903 -12.528 1.00 0.10 O ATOM 914 CB ILE C 10 9.788 6.511 -10.612 1.00 0.10 C ATOM 915 CG1 ILE C 10 8.723 5.575 -10.033 1.00 0.10 C ATOM 916 CG2 ILE C 10 10.727 6.942 -9.474 1.00 0.10 C ATOM 917 CD1 ILE C 10 8.243 4.609 -11.115 1.00 0.10 C ATOM 0 H ILE C 10 7.375 7.431 -12.516 1.00 0.10 H new ATOM 0 HA ILE C 10 8.330 8.101 -10.543 1.00 0.10 H new ATOM 0 HB ILE C 10 10.385 6.018 -11.380 1.00 0.10 H new ATOM 0 HG12 ILE C 10 9.134 5.018 -9.191 1.00 0.10 H new ATOM 0 HG13 ILE C 10 7.883 6.156 -9.652 1.00 0.10 H new ATOM 0 HG21 ILE C 10 11.213 6.063 -9.050 1.00 0.10 H new ATOM 0 HG22 ILE C 10 11.484 7.622 -9.865 1.00 0.10 H new ATOM 0 HG23 ILE C 10 10.151 7.447 -8.699 1.00 0.10 H new ATOM 0 HD11 ILE C 10 7.485 3.945 -10.699 1.00 0.10 H new ATOM 0 HD12 ILE C 10 7.815 5.174 -11.943 1.00 0.10 H new ATOM 0 HD13 ILE C 10 9.085 4.018 -11.475 1.00 0.10 H new ATOM 929 N CYS C 11 10.067 9.846 -10.651 1.00 0.05 N ATOM 930 CA CYS C 11 10.973 11.017 -10.807 1.00 0.05 C ATOM 931 C CYS C 11 12.254 10.763 -10.013 1.00 0.05 C ATOM 932 O CYS C 11 12.362 9.793 -9.290 1.00 0.05 O ATOM 933 CB CYS C 11 10.298 12.267 -10.235 1.00 0.05 C ATOM 934 SG CYS C 11 8.962 12.811 -11.323 1.00 0.05 S ATOM 0 H CYS C 11 9.489 9.865 -9.811 1.00 0.05 H new ATOM 0 HA CYS C 11 11.197 11.162 -11.864 1.00 0.05 H new ATOM 0 HB2 CYS C 11 9.903 12.053 -9.242 1.00 0.05 H new ATOM 0 HB3 CYS C 11 11.032 13.065 -10.121 1.00 0.05 H new ATOM 939 N SER C 12 13.219 11.636 -10.127 1.00 0.27 N ATOM 940 CA SER C 12 14.484 11.448 -9.364 1.00 0.27 C ATOM 941 C SER C 12 14.303 11.992 -7.946 1.00 0.27 C ATOM 942 O SER C 12 13.372 12.718 -7.664 1.00 0.27 O ATOM 943 CB SER C 12 15.620 12.200 -10.055 1.00 0.27 C ATOM 944 OG SER C 12 15.685 11.804 -11.420 1.00 0.27 O ATOM 0 H SER C 12 13.185 12.469 -10.715 1.00 0.27 H new ATOM 0 HA SER C 12 14.728 10.386 -9.323 1.00 0.27 H new ATOM 0 HB2 SER C 12 15.456 13.275 -9.984 1.00 0.27 H new ATOM 0 HB3 SER C 12 16.567 11.989 -9.558 1.00 0.27 H new ATOM 0 HG SER C 12 16.412 12.286 -11.866 1.00 0.27 H new ATOM 950 N LEU C 13 15.183 11.641 -7.052 1.00 0.30 N ATOM 951 CA LEU C 13 15.061 12.127 -5.649 1.00 0.30 C ATOM 952 C LEU C 13 15.076 13.660 -5.612 1.00 0.30 C ATOM 953 O LEU C 13 14.331 14.275 -4.877 1.00 0.30 O ATOM 954 CB LEU C 13 16.234 11.589 -4.827 1.00 0.30 C ATOM 955 CG LEU C 13 15.946 11.787 -3.339 1.00 0.30 C ATOM 956 CD1 LEU C 13 16.470 10.584 -2.552 1.00 0.30 C ATOM 957 CD2 LEU C 13 16.646 13.059 -2.854 1.00 0.30 C ATOM 0 H LEU C 13 15.984 11.036 -7.232 1.00 0.30 H new ATOM 0 HA LEU C 13 14.118 11.774 -5.231 1.00 0.30 H new ATOM 0 HB2 LEU C 13 16.387 10.531 -5.041 1.00 0.30 H new ATOM 0 HB3 LEU C 13 17.153 12.106 -5.103 1.00 0.30 H new ATOM 0 HG LEU C 13 14.871 11.879 -3.184 1.00 0.30 H new ATOM 0 HD11 LEU C 13 16.264 10.726 -1.491 1.00 0.30 H new ATOM 0 HD12 LEU C 13 15.974 9.678 -2.900 1.00 0.30 H new ATOM 0 HD13 LEU C 13 17.545 10.490 -2.704 1.00 0.30 H new ATOM 0 HD21 LEU C 13 16.443 13.204 -1.793 1.00 0.30 H new ATOM 0 HD22 LEU C 13 17.721 12.964 -3.008 1.00 0.30 H new ATOM 0 HD23 LEU C 13 16.273 13.916 -3.415 1.00 0.30 H new ATOM 969 N TYR C 14 15.922 14.282 -6.387 1.00 0.51 N ATOM 970 CA TYR C 14 15.984 15.773 -6.375 1.00 0.51 C ATOM 971 C TYR C 14 14.707 16.358 -6.976 1.00 0.51 C ATOM 972 O TYR C 14 14.194 17.357 -6.513 1.00 0.51 O ATOM 973 CB TYR C 14 17.190 16.240 -7.192 1.00 0.51 C ATOM 974 CG TYR C 14 18.447 15.700 -6.563 1.00 0.51 C ATOM 975 CD1 TYR C 14 18.976 16.316 -5.357 1.00 0.51 C ATOM 976 CD2 TYR C 14 19.126 14.559 -7.156 1.00 0.51 C ATOM 977 CE1 TYR C 14 20.183 15.790 -4.740 1.00 0.51 C ATOM 978 CE2 TYR C 14 20.335 14.034 -6.541 1.00 0.51 C ATOM 979 CZ TYR C 14 20.864 14.648 -5.332 1.00 0.51 C ATOM 980 OH TYR C 14 22.010 14.147 -4.747 1.00 0.51 O ATOM 0 H TYR C 14 16.572 13.825 -7.027 1.00 0.51 H new ATOM 0 HA TYR C 14 16.082 16.115 -5.345 1.00 0.51 H new ATOM 0 HB2 TYR C 14 17.105 15.892 -8.222 1.00 0.51 H new ATOM 0 HB3 TYR C 14 17.223 17.329 -7.225 1.00 0.51 H new ATOM 0 HD1 TYR C 14 18.472 17.165 -4.919 1.00 0.51 H new ATOM 0 HD2 TYR C 14 18.733 14.102 -8.052 1.00 0.51 H new ATOM 0 HE1 TYR C 14 20.574 16.247 -3.843 1.00 0.51 H new ATOM 0 HE2 TYR C 14 20.841 13.188 -6.982 1.00 0.51 H new ATOM 0 HH TYR C 14 22.337 13.384 -5.268 1.00 0.51 H new ATOM 990 N GLN C 15 14.192 15.753 -8.009 1.00 0.22 N ATOM 991 CA GLN C 15 12.954 16.287 -8.638 1.00 0.22 C ATOM 992 C GLN C 15 11.828 16.336 -7.603 1.00 0.22 C ATOM 993 O GLN C 15 10.980 17.205 -7.637 1.00 0.22 O ATOM 994 CB GLN C 15 12.544 15.379 -9.795 1.00 0.22 C ATOM 995 CG GLN C 15 13.407 15.699 -11.014 1.00 0.22 C ATOM 996 CD GLN C 15 12.835 14.988 -12.238 1.00 0.22 C ATOM 997 OE1 GLN C 15 13.497 13.995 -12.768 1.00 0.22 O flip ATOM 998 NE2 GLN C 15 11.775 15.338 -12.717 1.00 0.22 N flip ATOM 0 H GLN C 15 14.574 14.913 -8.444 1.00 0.22 H new ATOM 0 HA GLN C 15 13.142 17.294 -9.011 1.00 0.22 H new ATOM 0 HB2 GLN C 15 12.665 14.333 -9.513 1.00 0.22 H new ATOM 0 HB3 GLN C 15 11.490 15.525 -10.032 1.00 0.22 H new ATOM 0 HG2 GLN C 15 13.432 16.775 -11.183 1.00 0.22 H new ATOM 0 HG3 GLN C 15 14.434 15.379 -10.841 1.00 0.22 H new ATOM 0 HE21 GLN C 15 11.259 16.114 -12.302 1.00 0.22 H new ATOM 0 HE22 GLN C 15 11.401 14.856 -13.534 1.00 0.22 H new ATOM 1007 N LEU C 16 11.811 15.411 -6.686 1.00 0.01 N ATOM 1008 CA LEU C 16 10.735 15.409 -5.655 1.00 0.01 C ATOM 1009 C LEU C 16 10.967 16.561 -4.675 1.00 0.01 C ATOM 1010 O LEU C 16 10.039 17.099 -4.103 1.00 0.01 O ATOM 1011 CB LEU C 16 10.763 14.080 -4.896 1.00 0.01 C ATOM 1012 CG LEU C 16 10.438 12.933 -5.856 1.00 0.01 C ATOM 1013 CD1 LEU C 16 10.452 11.608 -5.091 1.00 0.01 C ATOM 1014 CD2 LEU C 16 9.053 13.152 -6.462 1.00 0.01 C ATOM 0 H LEU C 16 12.493 14.657 -6.605 1.00 0.01 H new ATOM 0 HA LEU C 16 9.766 15.533 -6.138 1.00 0.01 H new ATOM 0 HB2 LEU C 16 11.745 13.926 -4.449 1.00 0.01 H new ATOM 0 HB3 LEU C 16 10.041 14.100 -4.080 1.00 0.01 H new ATOM 0 HG LEU C 16 11.183 12.904 -6.651 1.00 0.01 H new ATOM 0 HD11 LEU C 16 10.221 10.791 -5.774 1.00 0.01 H new ATOM 0 HD12 LEU C 16 11.439 11.449 -4.656 1.00 0.01 H new ATOM 0 HD13 LEU C 16 9.706 11.639 -4.296 1.00 0.01 H new ATOM 0 HD21 LEU C 16 8.822 12.335 -7.146 1.00 0.01 H new ATOM 0 HD22 LEU C 16 8.308 13.181 -5.667 1.00 0.01 H new ATOM 0 HD23 LEU C 16 9.039 14.096 -7.007 1.00 0.01 H new ATOM 1026 N GLU C 17 12.199 16.940 -4.473 1.00 0.26 N ATOM 1027 CA GLU C 17 12.494 18.052 -3.528 1.00 0.26 C ATOM 1028 C GLU C 17 11.852 19.346 -4.028 1.00 0.26 C ATOM 1029 O GLU C 17 11.467 20.197 -3.252 1.00 0.26 O ATOM 1030 CB GLU C 17 14.006 18.243 -3.430 1.00 0.26 C ATOM 1031 CG GLU C 17 14.538 17.457 -2.231 1.00 0.26 C ATOM 1032 CD GLU C 17 15.590 18.295 -1.503 1.00 0.26 C ATOM 1033 OE1 GLU C 17 16.608 18.588 -2.109 1.00 0.26 O ATOM 1034 OE2 GLU C 17 15.357 18.631 -0.352 1.00 0.26 O ATOM 0 H GLU C 17 13.015 16.526 -4.923 1.00 0.26 H new ATOM 0 HA GLU C 17 12.087 17.806 -2.547 1.00 0.26 H new ATOM 0 HB2 GLU C 17 14.487 17.901 -4.346 1.00 0.26 H new ATOM 0 HB3 GLU C 17 14.244 19.301 -3.321 1.00 0.26 H new ATOM 0 HG2 GLU C 17 13.721 17.209 -1.553 1.00 0.26 H new ATOM 0 HG3 GLU C 17 14.974 16.515 -2.564 1.00 0.26 H new ATOM 1041 N ASN C 18 11.736 19.506 -5.317 1.00 0.42 N ATOM 1042 CA ASN C 18 11.119 20.750 -5.859 1.00 0.42 C ATOM 1043 C ASN C 18 9.700 20.895 -5.312 1.00 0.42 C ATOM 1044 O ASN C 18 9.191 21.987 -5.165 1.00 0.42 O ATOM 1045 CB ASN C 18 11.067 20.671 -7.386 1.00 0.42 C ATOM 1046 CG ASN C 18 12.461 20.356 -7.929 1.00 0.42 C ATOM 1047 OD1 ASN C 18 13.455 20.734 -7.338 1.00 0.42 O ATOM 1048 ND2 ASN C 18 12.579 19.675 -9.036 1.00 0.42 N ATOM 0 H ASN C 18 12.041 18.831 -6.018 1.00 0.42 H new ATOM 0 HA ASN C 18 11.716 21.611 -5.558 1.00 0.42 H new ATOM 0 HB2 ASN C 18 10.362 19.900 -7.697 1.00 0.42 H new ATOM 0 HB3 ASN C 18 10.710 21.615 -7.797 1.00 0.42 H new ATOM 0 HD21 ASN C 18 13.505 19.459 -9.406 1.00 0.42 H new ATOM 0 HD22 ASN C 18 11.745 19.358 -9.531 1.00 0.42 H new ATOM 1055 N TYR C 19 9.055 19.802 -5.011 1.00 0.11 N ATOM 1056 CA TYR C 19 7.667 19.884 -4.472 1.00 0.11 C ATOM 1057 C TYR C 19 7.683 19.808 -2.939 1.00 0.11 C ATOM 1058 O TYR C 19 6.659 19.612 -2.317 1.00 0.11 O ATOM 1059 CB TYR C 19 6.845 18.714 -5.013 1.00 0.11 C ATOM 1060 CG TYR C 19 7.026 18.610 -6.506 1.00 0.11 C ATOM 1061 CD1 TYR C 19 6.409 19.593 -7.384 1.00 0.11 C ATOM 1062 CD2 TYR C 19 7.810 17.522 -7.069 1.00 0.11 C ATOM 1063 CE1 TYR C 19 6.578 19.487 -8.824 1.00 0.11 C ATOM 1064 CE2 TYR C 19 7.980 17.417 -8.509 1.00 0.11 C ATOM 1065 CZ TYR C 19 7.363 18.399 -9.388 1.00 0.11 C ATOM 1066 OH TYR C 19 7.521 18.297 -10.756 1.00 0.11 O ATOM 0 H TYR C 19 9.427 18.858 -5.114 1.00 0.11 H new ATOM 0 HA TYR C 19 7.227 20.832 -4.781 1.00 0.11 H new ATOM 0 HB2 TYR C 19 7.157 17.786 -4.534 1.00 0.11 H new ATOM 0 HB3 TYR C 19 5.791 18.857 -4.774 1.00 0.11 H new ATOM 0 HD1 TYR C 19 5.826 20.401 -6.966 1.00 0.11 H new ATOM 0 HD2 TYR C 19 8.266 16.792 -6.417 1.00 0.11 H new ATOM 0 HE1 TYR C 19 6.121 20.216 -9.476 1.00 0.11 H new ATOM 0 HE2 TYR C 19 8.564 16.610 -8.926 1.00 0.11 H new ATOM 0 HH TYR C 19 6.642 18.304 -11.188 1.00 0.11 H new ATOM 1076 N CYS C 20 8.826 19.954 -2.319 1.00 0.05 N ATOM 1077 CA CYS C 20 8.874 19.877 -0.835 1.00 0.05 C ATOM 1078 C CYS C 20 8.498 21.230 -0.238 1.00 0.05 C ATOM 1079 O CYS C 20 8.623 22.257 -0.874 1.00 0.05 O ATOM 1080 CB CYS C 20 10.288 19.502 -0.395 1.00 0.05 C ATOM 1081 SG CYS C 20 10.230 18.780 1.261 1.00 0.05 S ATOM 0 H CYS C 20 9.722 20.122 -2.777 1.00 0.05 H new ATOM 0 HA CYS C 20 8.169 19.122 -0.488 1.00 0.05 H new ATOM 0 HB2 CYS C 20 10.723 18.792 -1.098 1.00 0.05 H new ATOM 0 HB3 CYS C 20 10.927 20.385 -0.397 1.00 0.05 H new ATOM 1086 N ASN C 21 8.036 21.239 0.980 1.00 0.41 N ATOM 1087 CA ASN C 21 7.650 22.526 1.618 1.00 0.41 C ATOM 1088 C ASN C 21 8.847 23.101 2.375 1.00 0.41 C ATOM 1089 O ASN C 21 8.909 22.911 3.579 1.00 0.41 O ATOM 1090 CB ASN C 21 6.501 22.278 2.595 1.00 0.41 C ATOM 1091 CG ASN C 21 5.762 23.589 2.851 1.00 0.41 C ATOM 1092 OD1 ASN C 21 4.704 23.822 2.297 1.00 0.41 O ATOM 1093 ND2 ASN C 21 6.279 24.467 3.668 1.00 0.41 N ATOM 1094 OXT ASN C 21 9.681 23.724 1.737 1.00 0.41 O ATOM 0 H ASN C 21 7.909 20.410 1.561 1.00 0.41 H new ATOM 0 HA ASN C 21 7.334 23.234 0.852 1.00 0.41 H new ATOM 0 HB2 ASN C 21 5.816 21.535 2.187 1.00 0.41 H new ATOM 0 HB3 ASN C 21 6.886 21.876 3.532 1.00 0.41 H new ATOM 0 HD21 ASN C 21 5.796 25.348 3.842 1.00 0.41 H new ATOM 0 HD22 ASN C 21 7.166 24.271 4.132 1.00 0.41 H new TER 1101 ASN C 21 ATOM 1102 N PHE D 1 -4.626 -1.461 -14.292 1.00 0.42 N ATOM 1103 CA PHE D 1 -4.115 -0.241 -14.976 1.00 0.42 C ATOM 1104 C PHE D 1 -4.447 0.994 -14.127 1.00 0.42 C ATOM 1105 O PHE D 1 -3.657 1.912 -14.021 1.00 0.42 O ATOM 1106 CB PHE D 1 -4.773 -0.118 -16.357 1.00 0.42 C ATOM 1107 CG PHE D 1 -4.281 1.135 -17.043 1.00 0.42 C ATOM 1108 CD1 PHE D 1 -2.859 1.436 -17.074 1.00 0.42 C ATOM 1109 CD2 PHE D 1 -5.232 2.044 -17.661 1.00 0.42 C ATOM 1110 CE1 PHE D 1 -2.386 2.647 -17.726 1.00 0.42 C ATOM 1111 CE2 PHE D 1 -4.759 3.255 -18.315 1.00 0.42 C ATOM 1112 CZ PHE D 1 -3.337 3.557 -18.346 1.00 0.42 C ATOM 0 H1 PHE D 1 -4.273 -2.307 -14.782 1.00 0.42 H new ATOM 0 H2 PHE D 1 -4.297 -1.470 -13.306 1.00 0.42 H new ATOM 0 H3 PHE D 1 -5.666 -1.459 -14.310 1.00 0.42 H new ATOM 0 HA PHE D 1 -3.034 -0.313 -15.099 1.00 0.42 H new ATOM 0 HB2 PHE D 1 -4.537 -0.993 -16.963 1.00 0.42 H new ATOM 0 HB3 PHE D 1 -5.858 -0.086 -16.253 1.00 0.42 H new ATOM 0 HD1 PHE D 1 -2.154 0.760 -16.613 1.00 0.42 H new ATOM 0 HD2 PHE D 1 -6.288 1.821 -17.635 1.00 0.42 H new ATOM 0 HE1 PHE D 1 -1.330 2.871 -17.750 1.00 0.42 H new ATOM 0 HE2 PHE D 1 -5.464 3.930 -18.777 1.00 0.42 H new ATOM 0 HZ PHE D 1 -2.987 4.457 -18.829 1.00 0.42 H new ATOM 1124 N VAL D 2 -5.613 1.016 -13.528 1.00 0.12 N ATOM 1125 CA VAL D 2 -6.037 2.175 -12.673 1.00 0.12 C ATOM 1126 C VAL D 2 -5.682 3.520 -13.332 1.00 0.12 C ATOM 1127 O VAL D 2 -5.498 3.607 -14.529 1.00 0.12 O ATOM 1128 CB VAL D 2 -5.386 2.063 -11.286 1.00 0.12 C ATOM 1129 CG1 VAL D 2 -5.641 0.665 -10.726 1.00 0.12 C ATOM 1130 CG2 VAL D 2 -3.877 2.302 -11.382 1.00 0.12 C ATOM 0 H VAL D 2 -6.302 0.267 -13.595 1.00 0.12 H new ATOM 0 HA VAL D 2 -7.121 2.142 -12.563 1.00 0.12 H new ATOM 0 HB VAL D 2 -5.820 2.816 -10.628 1.00 0.12 H new ATOM 0 HG11 VAL D 2 -5.182 0.578 -9.741 1.00 0.12 H new ATOM 0 HG12 VAL D 2 -6.715 0.497 -10.642 1.00 0.12 H new ATOM 0 HG13 VAL D 2 -5.209 -0.079 -11.395 1.00 0.12 H new ATOM 0 HG21 VAL D 2 -3.432 2.219 -10.391 1.00 0.12 H new ATOM 0 HG22 VAL D 2 -3.432 1.558 -12.043 1.00 0.12 H new ATOM 0 HG23 VAL D 2 -3.691 3.299 -11.781 1.00 0.12 H new ATOM 1140 N ASN D 3 -5.607 4.568 -12.557 1.00 0.26 N ATOM 1141 CA ASN D 3 -5.292 5.902 -13.134 1.00 0.26 C ATOM 1142 C ASN D 3 -4.608 6.771 -12.077 1.00 0.26 C ATOM 1143 O ASN D 3 -4.274 6.317 -11.001 1.00 0.26 O ATOM 1144 CB ASN D 3 -6.600 6.573 -13.560 1.00 0.26 C ATOM 1145 CG ASN D 3 -6.356 7.459 -14.781 1.00 0.26 C ATOM 1146 OD1 ASN D 3 -6.589 8.652 -14.734 1.00 0.26 O ATOM 1147 ND2 ASN D 3 -5.894 6.925 -15.879 1.00 0.26 N ATOM 0 H ASN D 3 -5.751 4.556 -11.547 1.00 0.26 H new ATOM 0 HA ASN D 3 -4.629 5.785 -13.991 1.00 0.26 H new ATOM 0 HB2 ASN D 3 -7.348 5.816 -13.793 1.00 0.26 H new ATOM 0 HB3 ASN D 3 -6.996 7.171 -12.739 1.00 0.26 H new ATOM 0 HD21 ASN D 3 -5.728 7.508 -16.699 1.00 0.26 H new ATOM 0 HD22 ASN D 3 -5.699 5.925 -15.917 1.00 0.26 H new ATOM 1154 N GLN D 4 -4.414 8.029 -12.375 1.00 0.20 N ATOM 1155 CA GLN D 4 -3.773 8.956 -11.402 1.00 0.20 C ATOM 1156 C GLN D 4 -4.523 8.888 -10.062 1.00 0.20 C ATOM 1157 O GLN D 4 -3.942 9.019 -9.003 1.00 0.20 O ATOM 1158 CB GLN D 4 -3.853 10.379 -11.981 1.00 0.20 C ATOM 1159 CG GLN D 4 -3.367 11.414 -10.960 1.00 0.20 C ATOM 1160 CD GLN D 4 -3.212 12.773 -11.643 1.00 0.20 C ATOM 1161 OE1 GLN D 4 -3.779 13.754 -11.202 1.00 0.20 O ATOM 1162 NE2 GLN D 4 -2.468 12.874 -12.712 1.00 0.20 N ATOM 0 H GLN D 4 -4.677 8.457 -13.263 1.00 0.20 H new ATOM 0 HA GLN D 4 -2.732 8.679 -11.232 1.00 0.20 H new ATOM 0 HB2 GLN D 4 -3.248 10.442 -12.885 1.00 0.20 H new ATOM 0 HB3 GLN D 4 -4.880 10.601 -12.269 1.00 0.20 H new ATOM 0 HG2 GLN D 4 -4.077 11.488 -10.136 1.00 0.20 H new ATOM 0 HG3 GLN D 4 -2.415 11.099 -10.533 1.00 0.20 H new ATOM 0 HE21 GLN D 4 -1.992 12.051 -13.082 1.00 0.20 H new ATOM 0 HE22 GLN D 4 -2.363 13.776 -13.177 1.00 0.20 H new ATOM 1171 N HIS D 5 -5.812 8.699 -10.112 1.00 0.14 N ATOM 1172 CA HIS D 5 -6.613 8.640 -8.859 1.00 0.14 C ATOM 1173 C HIS D 5 -6.020 7.612 -7.888 1.00 0.14 C ATOM 1174 O HIS D 5 -6.266 7.663 -6.702 1.00 0.14 O ATOM 1175 CB HIS D 5 -8.051 8.252 -9.199 1.00 0.14 C ATOM 1176 CG HIS D 5 -8.945 8.629 -8.056 1.00 0.14 C ATOM 1177 ND1 HIS D 5 -9.188 9.948 -7.714 1.00 0.14 N ATOM 1178 CD2 HIS D 5 -9.657 7.872 -7.163 1.00 0.14 C ATOM 1179 CE1 HIS D 5 -10.016 9.944 -6.654 1.00 0.14 C ATOM 1180 NE2 HIS D 5 -10.334 8.704 -6.279 1.00 0.14 N ATOM 0 H HIS D 5 -6.347 8.582 -10.972 1.00 0.14 H new ATOM 0 HA HIS D 5 -6.595 9.620 -8.382 1.00 0.14 H new ATOM 0 HB2 HIS D 5 -8.372 8.758 -10.110 1.00 0.14 H new ATOM 0 HB3 HIS D 5 -8.116 7.181 -9.390 1.00 0.14 H new ATOM 0 HD1 HIS D 5 -8.809 10.772 -8.180 1.00 0.14 H new ATOM 0 HD2 HIS D 5 -9.688 6.793 -7.148 1.00 0.14 H new ATOM 0 HE1 HIS D 5 -10.379 10.836 -6.166 1.00 0.14 H new ATOM 1188 N LEU D 6 -5.256 6.672 -8.379 1.00 0.05 N ATOM 1189 CA LEU D 6 -4.657 5.645 -7.472 1.00 0.05 C ATOM 1190 C LEU D 6 -3.123 5.724 -7.533 1.00 0.05 C ATOM 1191 O LEU D 6 -2.436 5.399 -6.586 1.00 0.05 O ATOM 1192 CB LEU D 6 -5.108 4.252 -7.913 1.00 0.05 C ATOM 1193 CG LEU D 6 -6.527 3.990 -7.414 1.00 0.05 C ATOM 1194 CD1 LEU D 6 -6.982 2.605 -7.874 1.00 0.05 C ATOM 1195 CD2 LEU D 6 -6.551 4.049 -5.886 1.00 0.05 C ATOM 0 H LEU D 6 -5.020 6.570 -9.366 1.00 0.05 H new ATOM 0 HA LEU D 6 -4.987 5.834 -6.451 1.00 0.05 H new ATOM 0 HB2 LEU D 6 -5.074 4.175 -9.000 1.00 0.05 H new ATOM 0 HB3 LEU D 6 -4.428 3.497 -7.519 1.00 0.05 H new ATOM 0 HG LEU D 6 -7.198 4.748 -7.818 1.00 0.05 H new ATOM 0 HD11 LEU D 6 -7.995 2.418 -7.518 1.00 0.05 H new ATOM 0 HD12 LEU D 6 -6.966 2.560 -8.963 1.00 0.05 H new ATOM 0 HD13 LEU D 6 -6.310 1.848 -7.470 1.00 0.05 H new ATOM 0 HD21 LEU D 6 -7.564 3.862 -5.531 1.00 0.05 H new ATOM 0 HD22 LEU D 6 -5.879 3.292 -5.482 1.00 0.05 H new ATOM 0 HD23 LEU D 6 -6.227 5.036 -5.555 1.00 0.05 H new ATOM 1207 N CYS D 7 -2.585 6.145 -8.645 1.00 0.04 N ATOM 1208 CA CYS D 7 -1.107 6.248 -8.795 1.00 0.04 C ATOM 1209 C CYS D 7 -0.565 7.336 -7.858 1.00 0.04 C ATOM 1210 O CYS D 7 0.428 7.150 -7.187 1.00 0.04 O ATOM 1211 CB CYS D 7 -0.819 6.608 -10.261 1.00 0.04 C ATOM 1212 SG CYS D 7 0.937 6.946 -10.542 1.00 0.04 S ATOM 0 H CYS D 7 -3.117 6.426 -9.469 1.00 0.04 H new ATOM 0 HA CYS D 7 -0.621 5.308 -8.534 1.00 0.04 H new ATOM 0 HB2 CYS D 7 -1.138 5.789 -10.905 1.00 0.04 H new ATOM 0 HB3 CYS D 7 -1.406 7.482 -10.542 1.00 0.04 H new ATOM 1217 N GLY D 8 -1.206 8.473 -7.821 1.00 0.00 N ATOM 1218 CA GLY D 8 -0.725 9.579 -6.942 1.00 0.00 C ATOM 1219 C GLY D 8 -0.738 9.144 -5.474 1.00 0.00 C ATOM 1220 O GLY D 8 0.070 9.587 -4.684 1.00 0.00 O ATOM 0 H GLY D 8 -2.044 8.685 -8.363 1.00 0.00 H new ATOM 0 HA2 GLY D 8 0.285 9.869 -7.232 1.00 0.00 H new ATOM 0 HA3 GLY D 8 -1.358 10.456 -7.073 1.00 0.00 H new ATOM 1224 N SER D 9 -1.653 8.292 -5.094 1.00 0.01 N ATOM 1225 CA SER D 9 -1.709 7.850 -3.668 1.00 0.01 C ATOM 1226 C SER D 9 -0.359 7.275 -3.245 1.00 0.01 C ATOM 1227 O SER D 9 -0.036 7.230 -2.075 1.00 0.01 O ATOM 1228 CB SER D 9 -2.778 6.762 -3.496 1.00 0.01 C ATOM 1229 OG SER D 9 -2.254 5.511 -3.929 1.00 0.01 O ATOM 0 H SER D 9 -2.361 7.884 -5.705 1.00 0.01 H new ATOM 0 HA SER D 9 -1.955 8.713 -3.050 1.00 0.01 H new ATOM 0 HB2 SER D 9 -3.083 6.699 -2.452 1.00 0.01 H new ATOM 0 HB3 SER D 9 -3.667 7.016 -4.073 1.00 0.01 H new ATOM 0 HG SER D 9 -2.498 5.361 -4.866 1.00 0.01 H new ATOM 1235 N HIS D 10 0.419 6.801 -4.177 1.00 0.11 N ATOM 1236 CA HIS D 10 1.725 6.196 -3.806 1.00 0.11 C ATOM 1237 C HIS D 10 2.875 7.150 -4.122 1.00 0.11 C ATOM 1238 O HIS D 10 3.956 7.015 -3.582 1.00 0.11 O ATOM 1239 CB HIS D 10 1.894 4.880 -4.559 1.00 0.11 C ATOM 1240 CG HIS D 10 0.786 3.957 -4.137 1.00 0.11 C ATOM 1241 ND1 HIS D 10 0.755 3.370 -2.881 1.00 0.11 N ATOM 1242 CD2 HIS D 10 -0.357 3.540 -4.774 1.00 0.11 C ATOM 1243 CE1 HIS D 10 -0.372 2.641 -2.802 1.00 0.11 C ATOM 1244 NE2 HIS D 10 -1.087 2.711 -3.927 1.00 0.11 N ATOM 0 H HIS D 10 0.207 6.807 -5.175 1.00 0.11 H new ATOM 0 HA HIS D 10 1.742 6.005 -2.733 1.00 0.11 H new ATOM 0 HB2 HIS D 10 1.859 5.050 -5.635 1.00 0.11 H new ATOM 0 HB3 HIS D 10 2.865 4.436 -4.337 1.00 0.11 H new ATOM 0 HD1 HIS D 10 1.459 3.473 -2.150 1.00 0.11 H new ATOM 0 HD2 HIS D 10 -0.645 3.813 -5.778 1.00 0.11 H new ATOM 0 HE1 HIS D 10 -0.663 2.068 -1.934 1.00 0.11 H new ATOM 1252 N LEU D 11 2.658 8.127 -4.963 1.00 0.01 N ATOM 1253 CA LEU D 11 3.753 9.092 -5.259 1.00 0.01 C ATOM 1254 C LEU D 11 3.968 9.935 -4.007 1.00 0.01 C ATOM 1255 O LEU D 11 5.069 10.332 -3.687 1.00 0.01 O ATOM 1256 CB LEU D 11 3.362 10.015 -6.417 1.00 0.01 C ATOM 1257 CG LEU D 11 2.917 9.196 -7.627 1.00 0.01 C ATOM 1258 CD1 LEU D 11 2.542 10.143 -8.765 1.00 0.01 C ATOM 1259 CD2 LEU D 11 4.058 8.294 -8.086 1.00 0.01 C ATOM 0 H LEU D 11 1.779 8.296 -5.452 1.00 0.01 H new ATOM 0 HA LEU D 11 4.657 8.552 -5.540 1.00 0.01 H new ATOM 0 HB2 LEU D 11 2.557 10.680 -6.104 1.00 0.01 H new ATOM 0 HB3 LEU D 11 4.208 10.646 -6.689 1.00 0.01 H new ATOM 0 HG LEU D 11 2.058 8.585 -7.352 1.00 0.01 H new ATOM 0 HD11 LEU D 11 2.224 9.563 -9.631 1.00 0.01 H new ATOM 0 HD12 LEU D 11 1.728 10.793 -8.444 1.00 0.01 H new ATOM 0 HD13 LEU D 11 3.407 10.750 -9.033 1.00 0.01 H new ATOM 0 HD21 LEU D 11 3.736 7.711 -8.949 1.00 0.01 H new ATOM 0 HD22 LEU D 11 4.917 8.906 -8.361 1.00 0.01 H new ATOM 0 HD23 LEU D 11 4.337 7.619 -7.276 1.00 0.01 H new ATOM 1271 N VAL D 12 2.905 10.209 -3.303 1.00 0.00 N ATOM 1272 CA VAL D 12 3.005 11.030 -2.063 1.00 0.00 C ATOM 1273 C VAL D 12 3.826 10.285 -1.005 1.00 0.00 C ATOM 1274 O VAL D 12 4.569 10.882 -0.254 1.00 0.00 O ATOM 1275 CB VAL D 12 1.610 11.301 -1.508 1.00 0.00 C ATOM 1276 CG1 VAL D 12 0.818 12.149 -2.504 1.00 0.00 C ATOM 1277 CG2 VAL D 12 0.886 9.974 -1.276 1.00 0.00 C ATOM 0 H VAL D 12 1.962 9.896 -3.536 1.00 0.00 H new ATOM 0 HA VAL D 12 3.494 11.973 -2.307 1.00 0.00 H new ATOM 0 HB VAL D 12 1.694 11.838 -0.563 1.00 0.00 H new ATOM 0 HG11 VAL D 12 -0.178 12.342 -2.106 1.00 0.00 H new ATOM 0 HG12 VAL D 12 1.333 13.096 -2.666 1.00 0.00 H new ATOM 0 HG13 VAL D 12 0.734 11.615 -3.450 1.00 0.00 H new ATOM 0 HG21 VAL D 12 -0.111 10.168 -0.879 1.00 0.00 H new ATOM 0 HG22 VAL D 12 0.803 9.435 -2.220 1.00 0.00 H new ATOM 0 HG23 VAL D 12 1.449 9.372 -0.563 1.00 0.00 H new ATOM 1287 N GLU D 13 3.691 8.988 -0.930 1.00 0.09 N ATOM 1288 CA GLU D 13 4.457 8.216 0.091 1.00 0.09 C ATOM 1289 C GLU D 13 5.947 8.515 -0.046 1.00 0.09 C ATOM 1290 O GLU D 13 6.619 8.817 0.918 1.00 0.09 O ATOM 1291 CB GLU D 13 4.224 6.721 -0.118 1.00 0.09 C ATOM 1292 CG GLU D 13 2.722 6.436 -0.115 1.00 0.09 C ATOM 1293 CD GLU D 13 2.488 4.935 0.070 1.00 0.09 C ATOM 1294 OE1 GLU D 13 2.576 4.217 -0.913 1.00 0.09 O ATOM 1295 OE2 GLU D 13 2.224 4.530 1.191 1.00 0.09 O ATOM 0 H GLU D 13 3.084 8.430 -1.531 1.00 0.09 H new ATOM 0 HA GLU D 13 4.118 8.506 1.086 1.00 0.09 H new ATOM 0 HB2 GLU D 13 4.664 6.402 -1.063 1.00 0.09 H new ATOM 0 HB3 GLU D 13 4.715 6.151 0.671 1.00 0.09 H new ATOM 0 HG2 GLU D 13 2.237 6.992 0.687 1.00 0.09 H new ATOM 0 HG3 GLU D 13 2.275 6.772 -1.051 1.00 0.09 H new ATOM 1302 N ALA D 14 6.469 8.433 -1.235 1.00 0.01 N ATOM 1303 CA ALA D 14 7.916 8.713 -1.431 1.00 0.01 C ATOM 1304 C ALA D 14 8.165 10.215 -1.300 1.00 0.01 C ATOM 1305 O ALA D 14 9.234 10.644 -0.919 1.00 0.01 O ATOM 1306 CB ALA D 14 8.338 8.247 -2.823 1.00 0.01 C ATOM 0 H ALA D 14 5.956 8.184 -2.081 1.00 0.01 H new ATOM 0 HA ALA D 14 8.496 8.181 -0.677 1.00 0.01 H new ATOM 0 HB1 ALA D 14 9.399 8.451 -2.969 1.00 0.01 H new ATOM 0 HB2 ALA D 14 8.158 7.176 -2.918 1.00 0.01 H new ATOM 0 HB3 ALA D 14 7.759 8.781 -3.576 1.00 0.01 H new ATOM 1312 N LEU D 15 7.188 11.016 -1.621 1.00 0.00 N ATOM 1313 CA LEU D 15 7.367 12.492 -1.525 1.00 0.00 C ATOM 1314 C LEU D 15 7.721 12.887 -0.095 1.00 0.00 C ATOM 1315 O LEU D 15 8.788 13.408 0.161 1.00 0.00 O ATOM 1316 CB LEU D 15 6.069 13.195 -1.912 1.00 0.00 C ATOM 1317 CG LEU D 15 6.093 13.564 -3.395 1.00 0.00 C ATOM 1318 CD1 LEU D 15 4.712 14.069 -3.817 1.00 0.00 C ATOM 1319 CD2 LEU D 15 7.124 14.668 -3.628 1.00 0.00 C ATOM 0 H LEU D 15 6.271 10.712 -1.947 1.00 0.00 H new ATOM 0 HA LEU D 15 8.171 12.787 -2.199 1.00 0.00 H new ATOM 0 HB2 LEU D 15 5.219 12.545 -1.705 1.00 0.00 H new ATOM 0 HB3 LEU D 15 5.939 14.093 -1.308 1.00 0.00 H new ATOM 0 HG LEU D 15 6.357 12.685 -3.983 1.00 0.00 H new ATOM 0 HD11 LEU D 15 4.728 14.332 -4.875 1.00 0.00 H new ATOM 0 HD12 LEU D 15 3.972 13.287 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU D 15 4.451 14.948 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU D 15 7.142 14.932 -4.685 1.00 0.00 H new ATOM 0 HD22 LEU D 15 6.857 15.546 -3.039 1.00 0.00 H new ATOM 0 HD23 LEU D 15 8.110 14.315 -3.325 1.00 0.00 H new ATOM 1331 N TYR D 16 6.826 12.678 0.839 1.00 0.00 N ATOM 1332 CA TYR D 16 7.129 13.087 2.237 1.00 0.00 C ATOM 1333 C TYR D 16 8.198 12.178 2.854 1.00 0.00 C ATOM 1334 O TYR D 16 8.789 12.512 3.863 1.00 0.00 O ATOM 1335 CB TYR D 16 5.828 13.174 3.065 1.00 0.00 C ATOM 1336 CG TYR D 16 5.430 11.881 3.743 1.00 0.00 C ATOM 1337 CD1 TYR D 16 5.023 10.725 2.962 1.00 0.00 C ATOM 1338 CD2 TYR D 16 5.393 11.828 5.195 1.00 0.00 C ATOM 1339 CE1 TYR D 16 4.576 9.513 3.636 1.00 0.00 C ATOM 1340 CE2 TYR D 16 4.959 10.618 5.868 1.00 0.00 C ATOM 1341 CZ TYR D 16 4.546 9.462 5.093 1.00 0.00 C ATOM 1342 OH TYR D 16 4.111 8.325 5.743 1.00 0.00 O ATOM 0 H TYR D 16 5.913 12.248 0.694 1.00 0.00 H new ATOM 0 HA TYR D 16 7.559 14.089 2.238 1.00 0.00 H new ATOM 0 HB2 TYR D 16 5.946 13.947 3.825 1.00 0.00 H new ATOM 0 HB3 TYR D 16 5.016 13.492 2.411 1.00 0.00 H new ATOM 0 HD1 TYR D 16 5.052 10.764 1.883 1.00 0.00 H new ATOM 0 HD2 TYR D 16 5.689 12.690 5.774 1.00 0.00 H new ATOM 0 HE1 TYR D 16 4.268 8.654 3.058 1.00 0.00 H new ATOM 0 HE2 TYR D 16 4.943 10.577 6.947 1.00 0.00 H new ATOM 0 HH TYR D 16 4.829 7.658 5.751 1.00 0.00 H new ATOM 1352 N LEU D 17 8.504 11.069 2.230 1.00 0.10 N ATOM 1353 CA LEU D 17 9.590 10.206 2.765 1.00 0.10 C ATOM 1354 C LEU D 17 10.910 10.914 2.453 1.00 0.10 C ATOM 1355 O LEU D 17 11.846 10.896 3.227 1.00 0.10 O ATOM 1356 CB LEU D 17 9.557 8.841 2.077 1.00 0.10 C ATOM 1357 CG LEU D 17 10.343 7.830 2.910 1.00 0.10 C ATOM 1358 CD1 LEU D 17 9.596 6.495 2.930 1.00 0.10 C ATOM 1359 CD2 LEU D 17 11.726 7.627 2.290 1.00 0.10 C ATOM 0 H LEU D 17 8.051 10.729 1.381 1.00 0.10 H new ATOM 0 HA LEU D 17 9.473 10.047 3.837 1.00 0.10 H new ATOM 0 HB2 LEU D 17 8.526 8.507 1.958 1.00 0.10 H new ATOM 0 HB3 LEU D 17 9.985 8.916 1.077 1.00 0.10 H new ATOM 0 HG LEU D 17 10.450 8.203 3.929 1.00 0.10 H new ATOM 0 HD11 LEU D 17 10.156 5.773 3.524 1.00 0.10 H new ATOM 0 HD12 LEU D 17 8.608 6.637 3.369 1.00 0.10 H new ATOM 0 HD13 LEU D 17 9.490 6.122 1.911 1.00 0.10 H new ATOM 0 HD21 LEU D 17 12.288 6.906 2.883 1.00 0.10 H new ATOM 0 HD22 LEU D 17 11.617 7.253 1.272 1.00 0.10 H new ATOM 0 HD23 LEU D 17 12.260 8.577 2.272 1.00 0.10 H new ATOM 1371 N VAL D 18 10.967 11.566 1.322 1.00 0.14 N ATOM 1372 CA VAL D 18 12.194 12.313 0.937 1.00 0.14 C ATOM 1373 C VAL D 18 12.232 13.622 1.729 1.00 0.14 C ATOM 1374 O VAL D 18 13.279 14.089 2.126 1.00 0.14 O ATOM 1375 CB VAL D 18 12.153 12.620 -0.565 1.00 0.14 C ATOM 1376 CG1 VAL D 18 13.367 13.465 -0.961 1.00 0.14 C ATOM 1377 CG2 VAL D 18 12.174 11.307 -1.351 1.00 0.14 C ATOM 0 H VAL D 18 10.207 11.612 0.644 1.00 0.14 H new ATOM 0 HA VAL D 18 13.082 11.719 1.155 1.00 0.14 H new ATOM 0 HB VAL D 18 11.242 13.174 -0.792 1.00 0.14 H new ATOM 0 HG11 VAL D 18 13.329 13.678 -2.029 1.00 0.14 H new ATOM 0 HG12 VAL D 18 13.356 14.402 -0.404 1.00 0.14 H new ATOM 0 HG13 VAL D 18 14.281 12.918 -0.732 1.00 0.14 H new ATOM 0 HG21 VAL D 18 12.145 11.522 -2.419 1.00 0.14 H new ATOM 0 HG22 VAL D 18 13.085 10.757 -1.116 1.00 0.14 H new ATOM 0 HG23 VAL D 18 11.307 10.706 -1.078 1.00 0.14 H new ATOM 1387 N CYS D 19 11.093 14.210 1.965 1.00 0.06 N ATOM 1388 CA CYS D 19 11.054 15.482 2.737 1.00 0.06 C ATOM 1389 C CYS D 19 11.311 15.188 4.218 1.00 0.06 C ATOM 1390 O CYS D 19 11.728 16.048 4.967 1.00 0.06 O ATOM 1391 CB CYS D 19 9.679 16.128 2.582 1.00 0.06 C ATOM 1392 SG CYS D 19 9.558 16.903 0.954 1.00 0.06 S ATOM 0 H CYS D 19 10.185 13.863 1.656 1.00 0.06 H new ATOM 0 HA CYS D 19 11.821 16.159 2.361 1.00 0.06 H new ATOM 0 HB2 CYS D 19 8.897 15.377 2.698 1.00 0.06 H new ATOM 0 HB3 CYS D 19 9.525 16.872 3.363 1.00 0.06 H new ATOM 1397 N GLY D 20 11.065 13.981 4.648 1.00 0.13 N ATOM 1398 CA GLY D 20 11.299 13.642 6.077 1.00 0.13 C ATOM 1399 C GLY D 20 10.212 14.280 6.938 1.00 0.13 C ATOM 1400 O GLY D 20 9.047 13.951 6.832 1.00 0.13 O ATOM 0 H GLY D 20 10.713 13.217 4.071 1.00 0.13 H new ATOM 0 HA2 GLY D 20 11.295 12.560 6.210 1.00 0.13 H new ATOM 0 HA3 GLY D 20 12.281 13.998 6.390 1.00 0.13 H new ATOM 1404 N GLU D 21 10.582 15.188 7.793 1.00 0.49 N ATOM 1405 CA GLU D 21 9.572 15.848 8.664 1.00 0.49 C ATOM 1406 C GLU D 21 8.913 17.004 7.908 1.00 0.49 C ATOM 1407 O GLU D 21 7.824 17.429 8.234 1.00 0.49 O ATOM 1408 CB GLU D 21 10.264 16.384 9.918 1.00 0.49 C ATOM 1409 CG GLU D 21 11.078 15.260 10.564 1.00 0.49 C ATOM 1410 CD GLU D 21 11.274 15.556 12.053 1.00 0.49 C ATOM 1411 OE1 GLU D 21 10.284 15.819 12.720 1.00 0.49 O ATOM 1412 OE2 GLU D 21 12.409 15.516 12.501 1.00 0.49 O ATOM 0 H GLU D 21 11.543 15.503 7.927 1.00 0.49 H new ATOM 0 HA GLU D 21 8.807 15.125 8.947 1.00 0.49 H new ATOM 0 HB2 GLU D 21 10.916 17.219 9.659 1.00 0.49 H new ATOM 0 HB3 GLU D 21 9.524 16.764 10.622 1.00 0.49 H new ATOM 0 HG2 GLU D 21 10.565 14.307 10.437 1.00 0.49 H new ATOM 0 HG3 GLU D 21 12.046 15.169 10.071 1.00 0.49 H new ATOM 1419 N ARG D 22 9.564 17.520 6.901 1.00 0.29 N ATOM 1420 CA ARG D 22 8.971 18.647 6.132 1.00 0.29 C ATOM 1421 C ARG D 22 7.630 18.215 5.544 1.00 0.29 C ATOM 1422 O ARG D 22 7.213 17.082 5.689 1.00 0.29 O ATOM 1423 CB ARG D 22 9.918 19.041 5.000 1.00 0.29 C ATOM 1424 CG ARG D 22 11.022 19.940 5.550 1.00 0.29 C ATOM 1425 CD ARG D 22 11.642 20.737 4.405 1.00 0.29 C ATOM 1426 NE ARG D 22 12.539 19.850 3.615 1.00 0.29 N ATOM 1427 CZ ARG D 22 13.376 20.368 2.757 1.00 0.29 C ATOM 1428 NH1 ARG D 22 12.931 21.119 1.784 1.00 0.29 N ATOM 1429 NH2 ARG D 22 14.657 20.136 2.872 1.00 0.29 N ATOM 0 H ARG D 22 10.480 17.209 6.579 1.00 0.29 H new ATOM 0 HA ARG D 22 8.818 19.499 6.795 1.00 0.29 H new ATOM 0 HB2 ARG D 22 10.352 18.149 4.548 1.00 0.29 H new ATOM 0 HB3 ARG D 22 9.368 19.561 4.216 1.00 0.29 H new ATOM 0 HG2 ARG D 22 10.615 20.617 6.301 1.00 0.29 H new ATOM 0 HG3 ARG D 22 11.785 19.338 6.044 1.00 0.29 H new ATOM 0 HD2 ARG D 22 10.859 21.144 3.765 1.00 0.29 H new ATOM 0 HD3 ARG D 22 12.204 21.584 4.799 1.00 0.29 H new ATOM 0 HE ARG D 22 12.500 18.839 3.744 1.00 0.29 H new ATOM 0 HH11 ARG D 22 11.931 21.300 1.696 1.00 0.29 H new ATOM 0 HH12 ARG D 22 13.584 21.524 1.113 1.00 0.29 H new ATOM 0 HH21 ARG D 22 15.003 19.550 3.632 1.00 0.29 H new ATOM 0 HH22 ARG D 22 15.311 20.541 2.202 1.00 0.29 H new ATOM 1443 N GLY D 23 6.952 19.108 4.878 1.00 0.01 N ATOM 1444 CA GLY D 23 5.637 18.752 4.276 1.00 0.01 C ATOM 1445 C GLY D 23 5.651 19.084 2.785 1.00 0.01 C ATOM 1446 O GLY D 23 6.653 19.506 2.242 1.00 0.01 O ATOM 0 H GLY D 23 7.253 20.071 4.724 1.00 0.01 H new ATOM 0 HA2 GLY D 23 5.434 17.691 4.421 1.00 0.01 H new ATOM 0 HA3 GLY D 23 4.837 19.300 4.774 1.00 0.01 H new ATOM 1450 N PHE D 24 4.546 18.902 2.116 1.00 0.00 N ATOM 1451 CA PHE D 24 4.508 19.214 0.661 1.00 0.00 C ATOM 1452 C PHE D 24 3.058 19.433 0.214 1.00 0.00 C ATOM 1453 O PHE D 24 2.125 19.043 0.886 1.00 0.00 O ATOM 1454 CB PHE D 24 5.133 18.050 -0.127 1.00 0.00 C ATOM 1455 CG PHE D 24 4.300 16.796 0.036 1.00 0.00 C ATOM 1456 CD1 PHE D 24 4.161 16.176 1.343 1.00 0.00 C ATOM 1457 CD2 PHE D 24 3.629 16.220 -1.118 1.00 0.00 C ATOM 1458 CE1 PHE D 24 3.348 14.979 1.495 1.00 0.00 C ATOM 1459 CE2 PHE D 24 2.818 15.023 -0.965 1.00 0.00 C ATOM 1460 CZ PHE D 24 2.678 14.400 0.342 1.00 0.00 C ATOM 0 H PHE D 24 3.673 18.553 2.512 1.00 0.00 H new ATOM 0 HA PHE D 24 5.076 20.124 0.469 1.00 0.00 H new ATOM 0 HB2 PHE D 24 5.203 18.313 -1.182 1.00 0.00 H new ATOM 0 HB3 PHE D 24 6.149 17.868 0.225 1.00 0.00 H new ATOM 0 HD1 PHE D 24 4.660 16.603 2.200 1.00 0.00 H new ATOM 0 HD2 PHE D 24 3.733 16.681 -2.089 1.00 0.00 H new ATOM 0 HE1 PHE D 24 3.242 14.520 2.467 1.00 0.00 H new ATOM 0 HE2 PHE D 24 2.319 14.596 -1.822 1.00 0.00 H new ATOM 0 HZ PHE D 24 2.078 13.509 0.456 1.00 0.00 H new ATOM 1470 N PHE D 25 2.866 20.033 -0.924 1.00 0.33 N ATOM 1471 CA PHE D 25 1.482 20.252 -1.421 1.00 0.33 C ATOM 1472 C PHE D 25 1.238 19.324 -2.609 1.00 0.33 C ATOM 1473 O PHE D 25 1.966 19.338 -3.580 1.00 0.33 O ATOM 1474 CB PHE D 25 1.279 21.714 -1.851 1.00 0.33 C ATOM 1475 CG PHE D 25 2.498 22.229 -2.579 1.00 0.33 C ATOM 1476 CD1 PHE D 25 2.633 22.027 -4.013 1.00 0.33 C ATOM 1477 CD2 PHE D 25 3.537 22.931 -1.842 1.00 0.33 C ATOM 1478 CE1 PHE D 25 3.809 22.528 -4.711 1.00 0.33 C ATOM 1479 CE2 PHE D 25 4.711 23.432 -2.538 1.00 0.33 C ATOM 1480 CZ PHE D 25 4.848 23.229 -3.973 1.00 0.33 C ATOM 0 H PHE D 25 3.607 20.381 -1.532 1.00 0.33 H new ATOM 0 HA PHE D 25 0.775 20.035 -0.620 1.00 0.33 H new ATOM 0 HB2 PHE D 25 0.404 21.791 -2.497 1.00 0.33 H new ATOM 0 HB3 PHE D 25 1.084 22.332 -0.975 1.00 0.33 H new ATOM 0 HD1 PHE D 25 1.861 21.506 -4.560 1.00 0.33 H new ATOM 0 HD2 PHE D 25 3.436 23.080 -0.777 1.00 0.33 H new ATOM 0 HE1 PHE D 25 3.910 22.379 -5.776 1.00 0.33 H new ATOM 0 HE2 PHE D 25 5.481 23.955 -1.991 1.00 0.33 H new ATOM 0 HZ PHE D 25 5.721 23.599 -4.490 1.00 0.33 H new ATOM 1490 N TYR D 26 0.226 18.507 -2.532 1.00 0.00 N ATOM 1491 CA TYR D 26 -0.059 17.566 -3.650 1.00 0.00 C ATOM 1492 C TYR D 26 -1.335 17.994 -4.371 1.00 0.00 C ATOM 1493 O TYR D 26 -2.411 17.979 -3.810 1.00 0.00 O ATOM 1494 CB TYR D 26 -0.248 16.159 -3.086 1.00 0.00 C ATOM 1495 CG TYR D 26 -0.275 15.163 -4.219 1.00 0.00 C ATOM 1496 CD1 TYR D 26 0.969 14.729 -4.833 1.00 0.00 C ATOM 1497 CD2 TYR D 26 -1.543 14.638 -4.697 1.00 0.00 C ATOM 1498 CE1 TYR D 26 0.945 13.769 -5.926 1.00 0.00 C ATOM 1499 CE2 TYR D 26 -1.569 13.677 -5.789 1.00 0.00 C ATOM 1500 CZ TYR D 26 -0.324 13.244 -6.404 1.00 0.00 C ATOM 1501 OH TYR D 26 -0.346 12.334 -7.442 1.00 0.00 O ATOM 0 H TYR D 26 -0.417 18.450 -1.742 1.00 0.00 H new ATOM 0 HA TYR D 26 0.774 17.575 -4.353 1.00 0.00 H new ATOM 0 HB2 TYR D 26 0.562 15.920 -2.397 1.00 0.00 H new ATOM 0 HB3 TYR D 26 -1.177 16.105 -2.518 1.00 0.00 H new ATOM 0 HD1 TYR D 26 1.911 15.119 -4.478 1.00 0.00 H new ATOM 0 HD2 TYR D 26 -2.467 14.962 -4.241 1.00 0.00 H new ATOM 0 HE1 TYR D 26 1.869 13.446 -6.382 1.00 0.00 H new ATOM 0 HE2 TYR D 26 -2.511 13.286 -6.143 1.00 0.00 H new ATOM 0 HH TYR D 26 -1.228 12.346 -7.869 1.00 0.00 H new ATOM 1511 N THR D 27 -1.229 18.366 -5.616 1.00 0.23 N ATOM 1512 CA THR D 27 -2.441 18.783 -6.371 1.00 0.23 C ATOM 1513 C THR D 27 -2.553 17.950 -7.663 1.00 0.23 C ATOM 1514 O THR D 27 -1.900 18.268 -8.637 1.00 0.23 O ATOM 1515 CB THR D 27 -2.340 20.268 -6.730 1.00 0.23 C ATOM 1516 OG1 THR D 27 -1.104 20.509 -7.388 1.00 0.23 O ATOM 1517 CG2 THR D 27 -2.417 21.111 -5.457 1.00 0.23 C ATOM 0 H THR D 27 -0.356 18.399 -6.142 1.00 0.23 H new ATOM 0 HA THR D 27 -3.324 18.620 -5.753 1.00 0.23 H new ATOM 0 HB THR D 27 -3.164 20.540 -7.390 1.00 0.23 H new ATOM 0 HG1 THR D 27 -0.962 19.827 -8.077 1.00 0.23 H new ATOM 0 HG21 THR D 27 -2.345 22.167 -5.715 1.00 0.23 H new ATOM 0 HG22 THR D 27 -3.366 20.924 -4.954 1.00 0.23 H new ATOM 0 HG23 THR D 27 -1.595 20.843 -4.793 1.00 0.23 H new ATOM 1525 N PRO D 28 -3.373 16.902 -7.659 1.00 0.04 N ATOM 1526 CA PRO D 28 -3.541 16.056 -8.853 1.00 0.04 C ATOM 1527 C PRO D 28 -4.479 16.740 -9.848 1.00 0.04 C ATOM 1528 O PRO D 28 -5.517 16.213 -10.200 1.00 0.04 O ATOM 1529 CB PRO D 28 -4.169 14.770 -8.309 1.00 0.04 C ATOM 1530 CG PRO D 28 -4.851 15.147 -6.972 1.00 0.04 C ATOM 1531 CD PRO D 28 -4.201 16.460 -6.499 1.00 0.04 C ATOM 0 HA PRO D 28 -2.607 15.869 -9.382 1.00 0.04 H new ATOM 0 HB2 PRO D 28 -4.895 14.364 -9.014 1.00 0.04 H new ATOM 0 HB3 PRO D 28 -3.410 14.003 -8.155 1.00 0.04 H new ATOM 0 HG2 PRO D 28 -5.925 15.274 -7.108 1.00 0.04 H new ATOM 0 HG3 PRO D 28 -4.714 14.359 -6.232 1.00 0.04 H new ATOM 0 HD2 PRO D 28 -4.953 17.205 -6.241 1.00 0.04 H new ATOM 0 HD3 PRO D 28 -3.589 16.303 -5.611 1.00 0.04 H new ATOM 1539 N LYS D 29 -4.125 17.911 -10.298 1.00 0.41 N ATOM 1540 CA LYS D 29 -5.000 18.632 -11.262 1.00 0.41 C ATOM 1541 C LYS D 29 -4.182 19.690 -12.002 1.00 0.41 C ATOM 1542 O LYS D 29 -4.285 20.872 -11.729 1.00 0.41 O ATOM 1543 CB LYS D 29 -6.140 19.314 -10.499 1.00 0.41 C ATOM 1544 CG LYS D 29 -7.061 20.029 -11.490 1.00 0.41 C ATOM 1545 CD LYS D 29 -8.222 20.673 -10.729 1.00 0.41 C ATOM 1546 CE LYS D 29 -7.716 21.906 -9.976 1.00 0.41 C ATOM 1547 NZ LYS D 29 -8.442 22.029 -8.678 1.00 0.41 N ATOM 0 H LYS D 29 -3.268 18.400 -10.040 1.00 0.41 H new ATOM 0 HA LYS D 29 -5.412 17.923 -11.980 1.00 0.41 H new ATOM 0 HB2 LYS D 29 -6.704 18.575 -9.930 1.00 0.41 H new ATOM 0 HB3 LYS D 29 -5.736 20.028 -9.782 1.00 0.41 H new ATOM 0 HG2 LYS D 29 -6.504 20.789 -12.038 1.00 0.41 H new ATOM 0 HG3 LYS D 29 -7.442 19.321 -12.226 1.00 0.41 H new ATOM 0 HD2 LYS D 29 -9.013 20.957 -11.423 1.00 0.41 H new ATOM 0 HD3 LYS D 29 -8.654 19.958 -10.029 1.00 0.41 H new ATOM 0 HE2 LYS D 29 -6.644 21.822 -9.799 1.00 0.41 H new ATOM 0 HE3 LYS D 29 -7.871 22.802 -10.578 1.00 0.41 H new ATOM 0 HZ1 LYS D 29 -8.098 22.867 -8.166 1.00 0.41 H new ATOM 0 HZ2 LYS D 29 -9.461 22.127 -8.858 1.00 0.41 H new ATOM 0 HZ3 LYS D 29 -8.273 21.179 -8.104 1.00 0.41 H new ATOM 1561 N THR D 30 -3.371 19.280 -12.939 1.00 0.62 N ATOM 1562 CA THR D 30 -2.548 20.267 -13.694 1.00 0.62 C ATOM 1563 C THR D 30 -3.472 21.205 -14.478 1.00 0.62 C ATOM 1564 O THR D 30 -3.307 22.408 -14.349 1.00 0.62 O ATOM 1565 CB THR D 30 -1.627 19.529 -14.669 1.00 0.62 C ATOM 1566 OG1 THR D 30 -1.036 18.417 -14.007 1.00 0.62 O ATOM 1567 CG2 THR D 30 -0.533 20.481 -15.157 1.00 0.62 C ATOM 1568 OXT THR D 30 -4.326 20.703 -15.194 1.00 0.62 O ATOM 0 H THR D 30 -3.243 18.306 -13.214 1.00 0.62 H new ATOM 0 HA THR D 30 -1.945 20.847 -12.995 1.00 0.62 H new ATOM 0 HB THR D 30 -2.204 19.177 -15.524 1.00 0.62 H new ATOM 0 HG1 THR D 30 -0.447 17.941 -14.629 1.00 0.62 H new ATOM 0 HG21 THR D 30 0.123 19.956 -15.851 1.00 0.62 H new ATOM 0 HG22 THR D 30 -0.990 21.332 -15.662 1.00 0.62 H new ATOM 0 HG23 THR D 30 0.048 20.834 -14.305 1.00 0.62 H new TER 1576 THR D 30 ATOM 1577 N GLY E 1 -14.810 -11.076 14.073 1.00 0.28 N ATOM 1578 CA GLY E 1 -14.978 -12.390 13.389 1.00 0.28 C ATOM 1579 C GLY E 1 -13.768 -12.658 12.491 1.00 0.28 C ATOM 1580 O GLY E 1 -13.183 -13.724 12.520 1.00 0.28 O ATOM 0 H1 GLY E 1 -14.977 -11.192 15.093 1.00 0.28 H new ATOM 0 H2 GLY E 1 -13.843 -10.725 13.918 1.00 0.28 H new ATOM 0 H3 GLY E 1 -15.493 -10.393 13.686 1.00 0.28 H new ATOM 0 HA2 GLY E 1 -15.079 -13.186 14.127 1.00 0.28 H new ATOM 0 HA3 GLY E 1 -15.892 -12.388 12.795 1.00 0.28 H new ATOM 1586 N ILE E 2 -13.386 -11.698 11.696 1.00 0.05 N ATOM 1587 CA ILE E 2 -12.213 -11.899 10.800 1.00 0.05 C ATOM 1588 C ILE E 2 -11.262 -10.714 10.944 1.00 0.05 C ATOM 1589 O ILE E 2 -10.059 -10.871 10.999 1.00 0.05 O ATOM 1590 CB ILE E 2 -12.691 -11.996 9.350 1.00 0.05 C ATOM 1591 CG1 ILE E 2 -11.486 -12.171 8.419 1.00 0.05 C ATOM 1592 CG2 ILE E 2 -13.439 -10.717 8.975 1.00 0.05 C ATOM 1593 CD1 ILE E 2 -11.970 -12.300 6.974 1.00 0.05 C ATOM 0 H ILE E 2 -13.834 -10.784 11.628 1.00 0.05 H new ATOM 0 HA ILE E 2 -11.696 -12.819 11.073 1.00 0.05 H new ATOM 0 HB ILE E 2 -13.356 -12.854 9.246 1.00 0.05 H new ATOM 0 HG12 ILE E 2 -10.814 -11.318 8.513 1.00 0.05 H new ATOM 0 HG13 ILE E 2 -10.919 -13.057 8.704 1.00 0.05 H new ATOM 0 HG21 ILE E 2 -13.780 -10.785 7.942 1.00 0.05 H new ATOM 0 HG22 ILE E 2 -14.298 -10.592 9.634 1.00 0.05 H new ATOM 0 HG23 ILE E 2 -12.772 -9.861 9.082 1.00 0.05 H new ATOM 0 HD11 ILE E 2 -11.112 -12.424 6.313 1.00 0.05 H new ATOM 0 HD12 ILE E 2 -12.625 -13.167 6.886 1.00 0.05 H new ATOM 0 HD13 ILE E 2 -12.518 -11.401 6.692 1.00 0.05 H new ATOM 1605 N VAL E 3 -11.791 -9.530 10.996 1.00 0.01 N ATOM 1606 CA VAL E 3 -10.916 -8.335 11.128 1.00 0.01 C ATOM 1607 C VAL E 3 -10.216 -8.369 12.483 1.00 0.01 C ATOM 1608 O VAL E 3 -9.007 -8.435 12.571 1.00 0.01 O ATOM 1609 CB VAL E 3 -11.749 -7.053 11.020 1.00 0.01 C ATOM 1610 CG1 VAL E 3 -10.821 -5.892 10.685 1.00 0.01 C ATOM 1611 CG2 VAL E 3 -12.799 -7.185 9.906 1.00 0.01 C ATOM 0 H VAL E 3 -12.791 -9.335 10.953 1.00 0.01 H new ATOM 0 HA VAL E 3 -10.177 -8.347 10.327 1.00 0.01 H new ATOM 0 HB VAL E 3 -12.258 -6.879 11.968 1.00 0.01 H new ATOM 0 HG11 VAL E 3 -11.402 -4.973 10.605 1.00 0.01 H new ATOM 0 HG12 VAL E 3 -10.076 -5.783 11.473 1.00 0.01 H new ATOM 0 HG13 VAL E 3 -10.321 -6.088 9.737 1.00 0.01 H new ATOM 0 HG21 VAL E 3 -13.381 -6.266 9.844 1.00 0.01 H new ATOM 0 HG22 VAL E 3 -12.299 -7.363 8.954 1.00 0.01 H new ATOM 0 HG23 VAL E 3 -13.463 -8.020 10.129 1.00 0.01 H new ATOM 1621 N GLU E 4 -10.970 -8.325 13.542 1.00 0.46 N ATOM 1622 CA GLU E 4 -10.357 -8.356 14.897 1.00 0.46 C ATOM 1623 C GLU E 4 -9.529 -9.636 15.079 1.00 0.46 C ATOM 1624 O GLU E 4 -8.707 -9.728 15.968 1.00 0.46 O ATOM 1625 CB GLU E 4 -11.471 -8.325 15.945 1.00 0.46 C ATOM 1626 CG GLU E 4 -11.005 -7.533 17.167 1.00 0.46 C ATOM 1627 CD GLU E 4 -11.493 -8.231 18.439 1.00 0.46 C ATOM 1628 OE1 GLU E 4 -12.607 -8.735 18.425 1.00 0.46 O ATOM 1629 OE2 GLU E 4 -10.743 -8.251 19.404 1.00 0.46 O ATOM 0 H GLU E 4 -11.988 -8.269 13.528 1.00 0.46 H new ATOM 0 HA GLU E 4 -9.702 -7.492 15.014 1.00 0.46 H new ATOM 0 HB2 GLU E 4 -12.367 -7.869 15.524 1.00 0.46 H new ATOM 0 HB3 GLU E 4 -11.737 -9.341 16.237 1.00 0.46 H new ATOM 0 HG2 GLU E 4 -9.918 -7.459 17.174 1.00 0.46 H new ATOM 0 HG3 GLU E 4 -11.394 -6.515 17.125 1.00 0.46 H new ATOM 1636 N GLN E 5 -9.746 -10.627 14.260 1.00 0.24 N ATOM 1637 CA GLN E 5 -8.982 -11.897 14.407 1.00 0.24 C ATOM 1638 C GLN E 5 -7.655 -11.817 13.644 1.00 0.24 C ATOM 1639 O GLN E 5 -6.659 -12.374 14.061 1.00 0.24 O ATOM 1640 CB GLN E 5 -9.828 -13.042 13.841 1.00 0.24 C ATOM 1641 CG GLN E 5 -9.064 -14.363 13.941 1.00 0.24 C ATOM 1642 CD GLN E 5 -9.846 -15.452 13.206 1.00 0.24 C ATOM 1643 OE1 GLN E 5 -9.254 -16.156 12.281 1.00 0.24 O flip ATOM 1644 NE2 GLN E 5 -11.012 -15.665 13.478 1.00 0.24 N flip ATOM 0 H GLN E 5 -10.420 -10.612 13.495 1.00 0.24 H new ATOM 0 HA GLN E 5 -8.764 -12.069 15.461 1.00 0.24 H new ATOM 0 HB2 GLN E 5 -10.768 -13.115 14.389 1.00 0.24 H new ATOM 0 HB3 GLN E 5 -10.080 -12.837 12.801 1.00 0.24 H new ATOM 0 HG2 GLN E 5 -8.070 -14.256 13.507 1.00 0.24 H new ATOM 0 HG3 GLN E 5 -8.927 -14.640 14.986 1.00 0.24 H new ATOM 0 HE21 GLN E 5 -11.476 -15.115 14.201 1.00 0.24 H new ATOM 0 HE22 GLN E 5 -11.526 -16.394 12.983 1.00 0.24 H new ATOM 1653 N CYS E 6 -7.633 -11.156 12.518 1.00 0.00 N ATOM 1654 CA CYS E 6 -6.370 -11.082 11.731 1.00 0.00 C ATOM 1655 C CYS E 6 -5.703 -9.719 11.896 1.00 0.00 C ATOM 1656 O CYS E 6 -4.506 -9.593 11.723 1.00 0.00 O ATOM 1657 CB CYS E 6 -6.679 -11.329 10.255 1.00 0.00 C ATOM 1658 SG CYS E 6 -7.558 -12.905 10.079 1.00 0.00 S ATOM 0 H CYS E 6 -8.430 -10.667 12.111 1.00 0.00 H new ATOM 0 HA CYS E 6 -5.684 -11.845 12.100 1.00 0.00 H new ATOM 0 HB2 CYS E 6 -7.286 -10.515 9.858 1.00 0.00 H new ATOM 0 HB3 CYS E 6 -5.755 -11.349 9.677 1.00 0.00 H new ATOM 1663 N CYS E 7 -6.446 -8.702 12.234 1.00 0.07 N ATOM 1664 CA CYS E 7 -5.815 -7.364 12.413 1.00 0.07 C ATOM 1665 C CYS E 7 -5.057 -7.306 13.754 1.00 0.07 C ATOM 1666 O CYS E 7 -4.433 -6.312 14.069 1.00 0.07 O ATOM 1667 CB CYS E 7 -6.886 -6.276 12.378 1.00 0.07 C ATOM 1668 SG CYS E 7 -6.086 -4.652 12.438 1.00 0.07 S ATOM 0 H CYS E 7 -7.453 -8.738 12.393 1.00 0.07 H new ATOM 0 HA CYS E 7 -5.107 -7.199 11.601 1.00 0.07 H new ATOM 0 HB2 CYS E 7 -7.484 -6.367 11.471 1.00 0.07 H new ATOM 0 HB3 CYS E 7 -7.566 -6.391 13.222 1.00 0.07 H new ATOM 1673 N THR E 8 -5.088 -8.352 14.549 1.00 0.25 N ATOM 1674 CA THR E 8 -4.355 -8.319 15.847 1.00 0.25 C ATOM 1675 C THR E 8 -2.906 -8.754 15.622 1.00 0.25 C ATOM 1676 O THR E 8 -1.978 -8.087 16.034 1.00 0.25 O ATOM 1677 CB THR E 8 -5.025 -9.273 16.836 1.00 0.25 C ATOM 1678 OG1 THR E 8 -5.282 -10.512 16.192 1.00 0.25 O ATOM 1679 CG2 THR E 8 -6.341 -8.667 17.323 1.00 0.25 C ATOM 0 H THR E 8 -5.587 -9.220 14.353 1.00 0.25 H new ATOM 0 HA THR E 8 -4.374 -7.307 16.250 1.00 0.25 H new ATOM 0 HB THR E 8 -4.366 -9.434 17.689 1.00 0.25 H new ATOM 0 HG1 THR E 8 -5.710 -11.127 16.824 1.00 0.25 H new ATOM 0 HG21 THR E 8 -6.817 -9.349 18.028 1.00 0.25 H new ATOM 0 HG22 THR E 8 -6.143 -7.715 17.816 1.00 0.25 H new ATOM 0 HG23 THR E 8 -7.003 -8.504 16.473 1.00 0.25 H new ATOM 1687 N SER E 9 -2.703 -9.867 14.971 1.00 0.29 N ATOM 1688 CA SER E 9 -1.311 -10.338 14.720 1.00 0.29 C ATOM 1689 C SER E 9 -1.286 -11.240 13.486 1.00 0.29 C ATOM 1690 O SER E 9 -0.556 -12.207 13.432 1.00 0.29 O ATOM 1691 CB SER E 9 -0.810 -11.117 15.933 1.00 0.29 C ATOM 1692 OG SER E 9 -0.997 -10.332 17.102 1.00 0.29 O ATOM 0 H SER E 9 -3.439 -10.469 14.603 1.00 0.29 H new ATOM 0 HA SER E 9 -0.665 -9.477 14.549 1.00 0.29 H new ATOM 0 HB2 SER E 9 -1.350 -12.060 16.023 1.00 0.29 H new ATOM 0 HB3 SER E 9 0.245 -11.364 15.811 1.00 0.29 H new ATOM 0 HG SER E 9 -1.048 -9.385 16.855 1.00 0.29 H new ATOM 1698 N ILE E 10 -2.076 -10.916 12.495 1.00 0.10 N ATOM 1699 CA ILE E 10 -2.115 -11.727 11.239 1.00 0.10 C ATOM 1700 C ILE E 10 -2.632 -13.150 11.527 1.00 0.10 C ATOM 1701 O ILE E 10 -2.285 -13.774 12.509 1.00 0.10 O ATOM 1702 CB ILE E 10 -0.705 -11.738 10.596 1.00 0.10 C ATOM 1703 CG1 ILE E 10 -0.432 -10.347 10.015 1.00 0.10 C ATOM 1704 CG2 ILE E 10 -0.612 -12.766 9.456 1.00 0.10 C ATOM 1705 CD1 ILE E 10 0.169 -9.445 11.093 1.00 0.10 C ATOM 0 H ILE E 10 -2.705 -10.113 12.502 1.00 0.10 H new ATOM 0 HA ILE E 10 -2.811 -11.277 10.530 1.00 0.10 H new ATOM 0 HB ILE E 10 0.023 -12.006 11.362 1.00 0.10 H new ATOM 0 HG12 ILE E 10 0.251 -10.424 9.169 1.00 0.10 H new ATOM 0 HG13 ILE E 10 -1.358 -9.912 9.638 1.00 0.10 H new ATOM 0 HG21 ILE E 10 0.391 -12.746 9.029 1.00 0.10 H new ATOM 0 HG22 ILE E 10 -0.820 -13.762 9.846 1.00 0.10 H new ATOM 0 HG23 ILE E 10 -1.341 -12.520 8.684 1.00 0.10 H new ATOM 0 HD11 ILE E 10 0.361 -8.457 10.675 1.00 0.10 H new ATOM 0 HD12 ILE E 10 -0.530 -9.357 11.925 1.00 0.10 H new ATOM 0 HD13 ILE E 10 1.104 -9.877 11.449 1.00 0.10 H new ATOM 1717 N CYS E 11 -3.459 -13.650 10.643 1.00 0.05 N ATOM 1718 CA CYS E 11 -4.021 -15.021 10.797 1.00 0.05 C ATOM 1719 C CYS E 11 -3.159 -16.004 10.003 1.00 0.05 C ATOM 1720 O CYS E 11 -2.264 -15.614 9.280 1.00 0.05 O ATOM 1721 CB CYS E 11 -5.442 -15.058 10.224 1.00 0.05 C ATOM 1722 SG CYS E 11 -6.579 -14.173 11.315 1.00 0.05 S ATOM 0 H CYS E 11 -3.772 -13.155 9.808 1.00 0.05 H new ATOM 0 HA CYS E 11 -4.035 -15.290 11.853 1.00 0.05 H new ATOM 0 HB2 CYS E 11 -5.454 -14.607 9.232 1.00 0.05 H new ATOM 0 HB3 CYS E 11 -5.768 -16.092 10.108 1.00 0.05 H new ATOM 1727 N SER E 12 -3.432 -17.274 10.117 1.00 0.27 N ATOM 1728 CA SER E 12 -2.635 -18.273 9.355 1.00 0.27 C ATOM 1729 C SER E 12 -3.196 -18.387 7.938 1.00 0.27 C ATOM 1730 O SER E 12 -4.285 -17.932 7.652 1.00 0.27 O ATOM 1731 CB SER E 12 -2.715 -19.632 10.047 1.00 0.27 C ATOM 1732 OG SER E 12 -2.334 -19.486 11.408 1.00 0.27 O ATOM 0 H SER E 12 -4.171 -17.662 10.704 1.00 0.27 H new ATOM 0 HA SER E 12 -1.594 -17.953 9.313 1.00 0.27 H new ATOM 0 HB2 SER E 12 -3.728 -20.028 9.981 1.00 0.27 H new ATOM 0 HB3 SER E 12 -2.060 -20.347 9.548 1.00 0.27 H new ATOM 0 HG SER E 12 -2.385 -20.355 11.857 1.00 0.27 H new ATOM 1738 N LEU E 13 -2.457 -18.981 7.047 1.00 0.30 N ATOM 1739 CA LEU E 13 -2.940 -19.115 5.644 1.00 0.30 C ATOM 1740 C LEU E 13 -4.261 -19.891 5.609 1.00 0.30 C ATOM 1741 O LEU E 13 -5.170 -19.548 4.881 1.00 0.30 O ATOM 1742 CB LEU E 13 -1.892 -19.863 4.822 1.00 0.30 C ATOM 1743 CG LEU E 13 -2.211 -19.714 3.335 1.00 0.30 C ATOM 1744 CD1 LEU E 13 -0.909 -19.565 2.546 1.00 0.30 C ATOM 1745 CD2 LEU E 13 -2.963 -20.955 2.851 1.00 0.30 C ATOM 0 H LEU E 13 -1.537 -19.381 7.228 1.00 0.30 H new ATOM 0 HA LEU E 13 -3.103 -18.121 5.226 1.00 0.30 H new ATOM 0 HB2 LEU E 13 -0.898 -19.468 5.033 1.00 0.30 H new ATOM 0 HB3 LEU E 13 -1.881 -20.917 5.099 1.00 0.30 H new ATOM 0 HG LEU E 13 -2.830 -18.830 3.182 1.00 0.30 H new ATOM 0 HD11 LEU E 13 -1.136 -19.459 1.485 1.00 0.30 H new ATOM 0 HD12 LEU E 13 -0.373 -18.682 2.892 1.00 0.30 H new ATOM 0 HD13 LEU E 13 -0.289 -20.448 2.697 1.00 0.30 H new ATOM 0 HD21 LEU E 13 -3.192 -20.851 1.790 1.00 0.30 H new ATOM 0 HD22 LEU E 13 -2.343 -21.839 3.004 1.00 0.30 H new ATOM 0 HD23 LEU E 13 -3.891 -21.061 3.414 1.00 0.30 H new ATOM 1757 N TYR E 14 -4.373 -20.939 6.378 1.00 0.52 N ATOM 1758 CA TYR E 14 -5.635 -21.735 6.369 1.00 0.52 C ATOM 1759 C TYR E 14 -6.777 -20.919 6.972 1.00 0.52 C ATOM 1760 O TYR E 14 -7.898 -20.969 6.507 1.00 0.52 O ATOM 1761 CB TYR E 14 -5.439 -23.011 7.189 1.00 0.52 C ATOM 1762 CG TYR E 14 -4.344 -23.831 6.559 1.00 0.52 C ATOM 1763 CD1 TYR E 14 -4.614 -24.598 5.354 1.00 0.52 C ATOM 1764 CD2 TYR E 14 -3.016 -23.846 7.149 1.00 0.52 C ATOM 1765 CE1 TYR E 14 -3.555 -25.381 4.737 1.00 0.52 C ATOM 1766 CE2 TYR E 14 -1.955 -24.630 6.535 1.00 0.52 C ATOM 1767 CZ TYR E 14 -2.226 -25.398 5.327 1.00 0.52 C ATOM 1768 OH TYR E 14 -1.219 -26.139 4.740 1.00 0.52 O ATOM 0 H TYR E 14 -3.648 -21.279 7.011 1.00 0.52 H new ATOM 0 HA TYR E 14 -5.884 -21.991 5.339 1.00 0.52 H new ATOM 0 HB2 TYR E 14 -5.179 -22.762 8.218 1.00 0.52 H new ATOM 0 HB3 TYR E 14 -6.366 -23.583 7.224 1.00 0.52 H new ATOM 0 HD1 TYR E 14 -5.601 -24.586 4.917 1.00 0.52 H new ATOM 0 HD2 TYR E 14 -2.816 -23.275 8.044 1.00 0.52 H new ATOM 0 HE1 TYR E 14 -3.756 -25.950 3.841 1.00 0.52 H new ATOM 0 HE2 TYR E 14 -0.968 -24.643 6.974 1.00 0.52 H new ATOM 0 HH TYR E 14 -0.394 -26.040 5.260 1.00 0.52 H new ATOM 1778 N GLN E 15 -6.510 -20.175 8.007 1.00 0.23 N ATOM 1779 CA GLN E 15 -7.592 -19.368 8.636 1.00 0.23 C ATOM 1780 C GLN E 15 -8.198 -18.420 7.601 1.00 0.23 C ATOM 1781 O GLN E 15 -9.373 -18.115 7.639 1.00 0.23 O ATOM 1782 CB GLN E 15 -7.013 -18.559 9.794 1.00 0.23 C ATOM 1783 CG GLN E 15 -6.853 -19.466 11.013 1.00 0.23 C ATOM 1784 CD GLN E 15 -6.522 -18.614 12.235 1.00 0.23 C ATOM 1785 OE1 GLN E 15 -5.330 -18.691 12.762 1.00 0.23 O flip ATOM 1786 NE2 GLN E 15 -7.353 -17.868 12.714 1.00 0.23 N flip ATOM 0 H GLN E 15 -5.592 -20.090 8.444 1.00 0.23 H new ATOM 0 HA GLN E 15 -8.369 -20.034 9.010 1.00 0.23 H new ATOM 0 HB2 GLN E 15 -6.049 -18.137 9.511 1.00 0.23 H new ATOM 0 HB3 GLN E 15 -7.670 -17.722 10.032 1.00 0.23 H new ATOM 0 HG2 GLN E 15 -7.771 -20.028 11.185 1.00 0.23 H new ATOM 0 HG3 GLN E 15 -6.061 -20.194 10.838 1.00 0.23 H new ATOM 0 HE21 GLN E 15 -8.284 -17.809 12.301 1.00 0.23 H new ATOM 0 HE22 GLN E 15 -7.120 -17.301 13.529 1.00 0.23 H new ATOM 1795 N LEU E 16 -7.407 -17.947 6.679 1.00 0.01 N ATOM 1796 CA LEU E 16 -7.945 -17.014 5.648 1.00 0.01 C ATOM 1797 C LEU E 16 -8.827 -17.790 4.669 1.00 0.01 C ATOM 1798 O LEU E 16 -9.757 -17.256 4.098 1.00 0.01 O ATOM 1799 CB LEU E 16 -6.783 -16.371 4.888 1.00 0.01 C ATOM 1800 CG LEU E 16 -5.951 -15.516 5.845 1.00 0.01 C ATOM 1801 CD1 LEU E 16 -4.799 -14.867 5.079 1.00 0.01 C ATOM 1802 CD2 LEU E 16 -6.836 -14.426 6.452 1.00 0.01 C ATOM 0 H LEU E 16 -6.414 -18.165 6.594 1.00 0.01 H new ATOM 0 HA LEU E 16 -8.537 -16.238 6.133 1.00 0.01 H new ATOM 0 HB2 LEU E 16 -6.159 -17.143 4.438 1.00 0.01 H new ATOM 0 HB3 LEU E 16 -7.165 -15.755 4.074 1.00 0.01 H new ATOM 0 HG LEU E 16 -5.550 -16.145 6.640 1.00 0.01 H new ATOM 0 HD11 LEU E 16 -4.206 -14.258 5.761 1.00 0.01 H new ATOM 0 HD12 LEU E 16 -4.169 -15.643 4.644 1.00 0.01 H new ATOM 0 HD13 LEU E 16 -5.199 -14.237 4.285 1.00 0.01 H new ATOM 0 HD21 LEU E 16 -6.245 -13.815 7.134 1.00 0.01 H new ATOM 0 HD22 LEU E 16 -7.236 -13.797 5.657 1.00 0.01 H new ATOM 0 HD23 LEU E 16 -7.659 -14.888 6.998 1.00 0.01 H new ATOM 1814 N GLU E 17 -8.542 -19.046 4.471 1.00 0.26 N ATOM 1815 CA GLU E 17 -9.360 -19.859 3.528 1.00 0.26 C ATOM 1816 C GLU E 17 -10.801 -19.947 4.030 1.00 0.26 C ATOM 1817 O GLU E 17 -11.732 -20.037 3.256 1.00 0.26 O ATOM 1818 CB GLU E 17 -8.771 -21.264 3.432 1.00 0.26 C ATOM 1819 CG GLU E 17 -7.827 -21.337 2.232 1.00 0.26 C ATOM 1820 CD GLU E 17 -8.036 -22.665 1.502 1.00 0.26 C ATOM 1821 OE1 GLU E 17 -7.790 -23.696 2.110 1.00 0.26 O ATOM 1822 OE2 GLU E 17 -8.439 -22.629 0.350 1.00 0.26 O ATOM 0 H GLU E 17 -7.776 -19.546 4.922 1.00 0.26 H new ATOM 0 HA GLU E 17 -9.351 -19.386 2.546 1.00 0.26 H new ATOM 0 HB2 GLU E 17 -8.233 -21.508 4.348 1.00 0.26 H new ATOM 0 HB3 GLU E 17 -9.569 -21.999 3.326 1.00 0.26 H new ATOM 0 HG2 GLU E 17 -8.016 -20.504 1.555 1.00 0.26 H new ATOM 0 HG3 GLU E 17 -6.792 -21.250 2.563 1.00 0.26 H new ATOM 1829 N ASN E 18 -10.994 -19.928 5.320 1.00 0.42 N ATOM 1830 CA ASN E 18 -12.379 -20.015 5.864 1.00 0.42 C ATOM 1831 C ASN E 18 -13.215 -18.860 5.316 1.00 0.42 C ATOM 1832 O ASN E 18 -14.416 -18.966 5.171 1.00 0.42 O ATOM 1833 CB ASN E 18 -12.335 -19.927 7.391 1.00 0.42 C ATOM 1834 CG ASN E 18 -11.368 -20.980 7.933 1.00 0.42 C ATOM 1835 OD1 ASN E 18 -11.203 -22.030 7.344 1.00 0.42 O ATOM 1836 ND2 ASN E 18 -10.715 -20.741 9.038 1.00 0.42 N ATOM 0 H ASN E 18 -10.255 -19.856 6.019 1.00 0.42 H new ATOM 0 HA ASN E 18 -12.826 -20.963 5.566 1.00 0.42 H new ATOM 0 HB2 ASN E 18 -12.016 -18.931 7.700 1.00 0.42 H new ATOM 0 HB3 ASN E 18 -13.331 -20.085 7.804 1.00 0.42 H new ATOM 0 HD21 ASN E 18 -10.066 -21.436 9.407 1.00 0.42 H new ATOM 0 HD22 ASN E 18 -10.854 -19.859 9.532 1.00 0.42 H new ATOM 1843 N TYR E 19 -12.592 -17.754 5.012 1.00 0.11 N ATOM 1844 CA TYR E 19 -13.359 -16.593 4.476 1.00 0.11 C ATOM 1845 C TYR E 19 -13.285 -16.568 2.944 1.00 0.11 C ATOM 1846 O TYR E 19 -13.619 -15.578 2.323 1.00 0.11 O ATOM 1847 CB TYR E 19 -12.760 -15.296 5.017 1.00 0.11 C ATOM 1848 CG TYR E 19 -12.577 -15.400 6.512 1.00 0.11 C ATOM 1849 CD1 TYR E 19 -13.734 -15.354 7.392 1.00 0.11 C ATOM 1850 CD2 TYR E 19 -11.243 -15.537 7.072 1.00 0.11 C ATOM 1851 CE1 TYR E 19 -13.556 -15.447 8.832 1.00 0.11 C ATOM 1852 CE2 TYR E 19 -11.064 -15.631 8.511 1.00 0.11 C ATOM 1853 CZ TYR E 19 -12.220 -15.585 9.392 1.00 0.11 C ATOM 1854 OH TYR E 19 -12.050 -15.671 10.760 1.00 0.11 O ATOM 0 H TYR E 19 -11.588 -17.604 5.111 1.00 0.11 H new ATOM 0 HA TYR E 19 -14.399 -16.688 4.787 1.00 0.11 H new ATOM 0 HB2 TYR E 19 -11.801 -15.100 4.537 1.00 0.11 H new ATOM 0 HB3 TYR E 19 -13.413 -14.456 4.779 1.00 0.11 H new ATOM 0 HD1 TYR E 19 -14.725 -15.251 6.976 1.00 0.11 H new ATOM 0 HD2 TYR E 19 -10.384 -15.569 6.418 1.00 0.11 H new ATOM 0 HE1 TYR E 19 -14.415 -15.414 9.486 1.00 0.11 H new ATOM 0 HE2 TYR E 19 -10.072 -15.735 8.926 1.00 0.11 H new ATOM 0 HH TYR E 19 -12.506 -14.920 11.194 1.00 0.11 H new ATOM 1864 N CYS E 20 -12.850 -17.634 2.324 1.00 0.05 N ATOM 1865 CA CYS E 20 -12.759 -17.635 0.840 1.00 0.05 C ATOM 1866 C CYS E 20 -14.120 -17.985 0.246 1.00 0.05 C ATOM 1867 O CYS E 20 -14.949 -18.604 0.886 1.00 0.05 O ATOM 1868 CB CYS E 20 -11.726 -18.672 0.399 1.00 0.05 C ATOM 1869 SG CYS E 20 -11.130 -18.256 -1.257 1.00 0.05 S ATOM 0 H CYS E 20 -12.556 -18.497 2.781 1.00 0.05 H new ATOM 0 HA CYS E 20 -12.457 -16.647 0.491 1.00 0.05 H new ATOM 0 HB2 CYS E 20 -10.894 -18.695 1.102 1.00 0.05 H new ATOM 0 HB3 CYS E 20 -12.170 -19.667 0.399 1.00 0.05 H new ATOM 1874 N ASN E 21 -14.359 -17.594 -0.972 1.00 0.43 N ATOM 1875 CA ASN E 21 -15.668 -17.902 -1.608 1.00 0.43 C ATOM 1876 C ASN E 21 -15.567 -19.231 -2.359 1.00 0.43 C ATOM 1877 O ASN E 21 -15.364 -19.194 -3.561 1.00 0.43 O ATOM 1878 CB ASN E 21 -16.028 -16.785 -2.588 1.00 0.43 C ATOM 1879 CG ASN E 21 -17.535 -16.798 -2.840 1.00 0.43 C ATOM 1880 OD1 ASN E 21 -18.260 -15.995 -2.285 1.00 0.43 O ATOM 1881 ND2 ASN E 21 -18.038 -17.680 -3.658 1.00 0.43 N ATOM 1882 OXT ASN E 21 -15.692 -20.262 -1.719 1.00 0.43 O ATOM 0 H ASN E 21 -13.704 -17.074 -1.556 1.00 0.43 H new ATOM 0 HA ASN E 21 -16.440 -17.977 -0.842 1.00 0.43 H new ATOM 0 HB2 ASN E 21 -15.724 -15.819 -2.184 1.00 0.43 H new ATOM 0 HB3 ASN E 21 -15.490 -16.922 -3.526 1.00 0.43 H new ATOM 0 HD21 ASN E 21 -19.043 -17.698 -3.834 1.00 0.43 H new ATOM 0 HD22 ASN E 21 -17.427 -18.352 -4.122 1.00 0.43 H new TER 1889 ASN E 21 ATOM 1890 N PHE F 1 -1.015 4.738 14.266 1.00 0.42 N ATOM 1891 CA PHE F 1 -1.810 3.681 14.951 1.00 0.42 C ATOM 1892 C PHE F 1 -3.045 3.348 14.106 1.00 0.42 C ATOM 1893 O PHE F 1 -3.446 2.205 14.005 1.00 0.42 O ATOM 1894 CB PHE F 1 -2.244 4.191 16.331 1.00 0.42 C ATOM 1895 CG PHE F 1 -3.080 3.140 17.021 1.00 0.42 C ATOM 1896 CD1 PHE F 1 -2.627 1.759 17.053 1.00 0.42 C ATOM 1897 CD2 PHE F 1 -4.341 3.507 17.642 1.00 0.42 C ATOM 1898 CE1 PHE F 1 -3.436 0.744 17.708 1.00 0.42 C ATOM 1899 CE2 PHE F 1 -5.150 2.493 18.299 1.00 0.42 C ATOM 1900 CZ PHE F 1 -4.699 1.111 18.333 1.00 0.42 C ATOM 0 H1 PHE F 1 -0.104 4.858 14.754 1.00 0.42 H new ATOM 0 H2 PHE F 1 -0.845 4.459 13.279 1.00 0.42 H new ATOM 0 H3 PHE F 1 -1.540 5.635 14.287 1.00 0.42 H new ATOM 0 HA PHE F 1 -1.205 2.782 15.072 1.00 0.42 H new ATOM 0 HB2 PHE F 1 -1.368 4.427 16.935 1.00 0.42 H new ATOM 0 HB3 PHE F 1 -2.816 5.113 16.226 1.00 0.42 H new ATOM 0 HD1 PHE F 1 -1.690 1.487 16.590 1.00 0.42 H new ATOM 0 HD2 PHE F 1 -4.678 4.533 17.616 1.00 0.42 H new ATOM 0 HE1 PHE F 1 -3.100 -0.282 17.731 1.00 0.42 H new ATOM 0 HE2 PHE F 1 -6.087 2.767 18.762 1.00 0.42 H new ATOM 0 HZ PHE F 1 -5.300 0.358 18.821 1.00 0.42 H new ATOM 1912 N VAL F 2 -3.648 4.346 13.507 1.00 0.13 N ATOM 1913 CA VAL F 2 -4.867 4.134 12.656 1.00 0.13 C ATOM 1914 C VAL F 2 -5.853 3.153 13.321 1.00 0.13 C ATOM 1915 O VAL F 2 -5.841 2.962 14.520 1.00 0.13 O ATOM 1916 CB VAL F 2 -4.448 3.625 11.269 1.00 0.13 C ATOM 1917 CG1 VAL F 2 -3.365 4.546 10.707 1.00 0.13 C ATOM 1918 CG2 VAL F 2 -3.898 2.201 11.368 1.00 0.13 C ATOM 0 H VAL F 2 -3.343 5.317 13.572 1.00 0.13 H new ATOM 0 HA VAL F 2 -5.381 5.089 12.546 1.00 0.13 H new ATOM 0 HB VAL F 2 -5.318 3.622 10.612 1.00 0.13 H new ATOM 0 HG11 VAL F 2 -3.061 4.192 9.722 1.00 0.13 H new ATOM 0 HG12 VAL F 2 -3.757 5.560 10.623 1.00 0.13 H new ATOM 0 HG13 VAL F 2 -2.503 4.544 11.375 1.00 0.13 H new ATOM 0 HG21 VAL F 2 -3.605 1.854 10.377 1.00 0.13 H new ATOM 0 HG22 VAL F 2 -3.030 2.191 12.027 1.00 0.13 H new ATOM 0 HG23 VAL F 2 -4.667 1.541 11.771 1.00 0.13 H new ATOM 1928 N ASN F 3 -6.717 2.554 12.549 1.00 0.27 N ATOM 1929 CA ASN F 3 -7.716 1.615 13.126 1.00 0.27 C ATOM 1930 C ASN F 3 -8.131 0.592 12.065 1.00 0.27 C ATOM 1931 O ASN F 3 -7.577 0.538 10.985 1.00 0.27 O ATOM 1932 CB ASN F 3 -8.951 2.414 13.549 1.00 0.27 C ATOM 1933 CG ASN F 3 -9.601 1.765 14.771 1.00 0.27 C ATOM 1934 OD1 ASN F 3 -10.752 1.376 14.724 1.00 0.27 O ATOM 1935 ND2 ASN F 3 -8.908 1.628 15.868 1.00 0.27 N ATOM 0 H ASN F 3 -6.773 2.676 11.538 1.00 0.27 H new ATOM 0 HA ASN F 3 -7.283 1.098 13.983 1.00 0.27 H new ATOM 0 HB2 ASN F 3 -8.668 3.441 13.780 1.00 0.27 H new ATOM 0 HB3 ASN F 3 -9.665 2.457 12.727 1.00 0.27 H new ATOM 0 HD21 ASN F 3 -9.332 1.194 16.688 1.00 0.27 H new ATOM 0 HD22 ASN F 3 -7.943 1.955 15.906 1.00 0.27 H new ATOM 1942 N GLN F 4 -9.121 -0.203 12.366 1.00 0.19 N ATOM 1943 CA GLN F 4 -9.611 -1.219 11.392 1.00 0.19 C ATOM 1944 C GLN F 4 -9.930 -0.532 10.053 1.00 0.19 C ATOM 1945 O GLN F 4 -9.756 -1.102 8.995 1.00 0.19 O ATOM 1946 CB GLN F 4 -10.884 -1.859 11.975 1.00 0.19 C ATOM 1947 CG GLN F 4 -11.537 -2.797 10.955 1.00 0.19 C ATOM 1948 CD GLN F 4 -12.637 -3.612 11.637 1.00 0.19 C ATOM 1949 OE1 GLN F 4 -13.771 -3.610 11.195 1.00 0.19 O ATOM 1950 NE2 GLN F 4 -12.354 -4.306 12.707 1.00 0.19 N ATOM 0 H GLN F 4 -9.617 -0.191 13.257 1.00 0.19 H new ATOM 0 HA GLN F 4 -8.854 -1.984 11.218 1.00 0.19 H new ATOM 0 HB2 GLN F 4 -10.636 -2.414 12.880 1.00 0.19 H new ATOM 0 HB3 GLN F 4 -11.589 -1.079 12.263 1.00 0.19 H new ATOM 0 HG2 GLN F 4 -11.956 -2.219 10.131 1.00 0.19 H new ATOM 0 HG3 GLN F 4 -10.788 -3.464 10.528 1.00 0.19 H new ATOM 0 HE21 GLN F 4 -11.404 -4.308 13.077 1.00 0.19 H new ATOM 0 HE22 GLN F 4 -13.083 -4.846 13.172 1.00 0.19 H new ATOM 1959 N HIS F 5 -10.410 0.679 10.102 1.00 0.14 N ATOM 1960 CA HIS F 5 -10.761 1.400 8.847 1.00 0.14 C ATOM 1961 C HIS F 5 -9.575 1.399 7.877 1.00 0.14 C ATOM 1962 O HIS F 5 -9.744 1.587 6.689 1.00 0.14 O ATOM 1963 CB HIS F 5 -11.146 2.837 9.189 1.00 0.14 C ATOM 1964 CG HIS F 5 -11.926 3.426 8.053 1.00 0.14 C ATOM 1965 ND1 HIS F 5 -13.188 2.973 7.712 1.00 0.14 N ATOM 1966 CD2 HIS F 5 -11.635 4.430 7.164 1.00 0.14 C ATOM 1967 CE1 HIS F 5 -13.606 3.695 6.658 1.00 0.14 C ATOM 1968 NE2 HIS F 5 -12.698 4.599 6.285 1.00 0.14 N ATOM 0 H HIS F 5 -10.575 1.203 10.962 1.00 0.14 H new ATOM 0 HA HIS F 5 -11.599 0.895 8.367 1.00 0.14 H new ATOM 0 HB2 HIS F 5 -11.740 2.859 10.103 1.00 0.14 H new ATOM 0 HB3 HIS F 5 -10.251 3.430 9.377 1.00 0.14 H new ATOM 0 HD1 HIS F 5 -13.707 2.227 8.176 1.00 0.14 H new ATOM 0 HD2 HIS F 5 -10.719 5.002 7.150 1.00 0.14 H new ATOM 0 HE1 HIS F 5 -14.561 3.560 6.172 1.00 0.14 H new ATOM 1976 N LEU F 6 -8.378 1.209 8.367 1.00 0.06 N ATOM 1977 CA LEU F 6 -7.190 1.203 7.461 1.00 0.06 C ATOM 1978 C LEU F 6 -6.492 -0.165 7.521 1.00 0.06 C ATOM 1979 O LEU F 6 -5.872 -0.598 6.571 1.00 0.06 O ATOM 1980 CB LEU F 6 -6.212 2.292 7.900 1.00 0.06 C ATOM 1981 CG LEU F 6 -6.697 3.652 7.401 1.00 0.06 C ATOM 1982 CD1 LEU F 6 -5.723 4.739 7.857 1.00 0.06 C ATOM 1983 CD2 LEU F 6 -6.765 3.643 5.873 1.00 0.06 C ATOM 0 H LEU F 6 -8.171 1.058 9.354 1.00 0.06 H new ATOM 0 HA LEU F 6 -7.518 1.393 6.439 1.00 0.06 H new ATOM 0 HB2 LEU F 6 -6.128 2.302 8.987 1.00 0.06 H new ATOM 0 HB3 LEU F 6 -5.218 2.082 7.505 1.00 0.06 H new ATOM 0 HG LEU F 6 -7.688 3.854 7.808 1.00 0.06 H new ATOM 0 HD11 LEU F 6 -6.068 5.710 7.501 1.00 0.06 H new ATOM 0 HD12 LEU F 6 -5.672 4.749 8.946 1.00 0.06 H new ATOM 0 HD13 LEU F 6 -4.733 4.535 7.449 1.00 0.06 H new ATOM 0 HD21 LEU F 6 -7.111 4.614 5.518 1.00 0.06 H new ATOM 0 HD22 LEU F 6 -5.774 3.440 5.466 1.00 0.06 H new ATOM 0 HD23 LEU F 6 -7.458 2.869 5.544 1.00 0.06 H new ATOM 1995 N CYS F 7 -6.587 -0.839 8.632 1.00 0.04 N ATOM 1996 CA CYS F 7 -5.938 -2.172 8.783 1.00 0.04 C ATOM 1997 C CYS F 7 -6.616 -3.185 7.850 1.00 0.04 C ATOM 1998 O CYS F 7 -5.962 -3.950 7.170 1.00 0.04 O ATOM 1999 CB CYS F 7 -6.102 -2.596 10.249 1.00 0.04 C ATOM 2000 SG CYS F 7 -5.515 -4.286 10.531 1.00 0.04 S ATOM 0 H CYS F 7 -7.095 -0.518 9.456 1.00 0.04 H new ATOM 0 HA CYS F 7 -4.881 -2.127 8.519 1.00 0.04 H new ATOM 0 HB2 CYS F 7 -5.551 -1.908 10.890 1.00 0.04 H new ATOM 0 HB3 CYS F 7 -7.152 -2.524 10.533 1.00 0.04 H new ATOM 2005 N GLY F 8 -7.920 -3.202 7.820 1.00 0.00 N ATOM 2006 CA GLY F 8 -8.642 -4.171 6.944 1.00 0.00 C ATOM 2007 C GLY F 8 -8.278 -3.943 5.474 1.00 0.00 C ATOM 2008 O GLY F 8 -8.272 -4.864 4.682 1.00 0.00 O ATOM 0 H GLY F 8 -8.520 -2.584 8.366 1.00 0.00 H new ATOM 0 HA2 GLY F 8 -8.388 -5.191 7.233 1.00 0.00 H new ATOM 0 HA3 GLY F 8 -9.718 -4.060 7.079 1.00 0.00 H new ATOM 2012 N SER F 9 -7.986 -2.728 5.097 1.00 0.01 N ATOM 2013 CA SER F 9 -7.638 -2.458 3.672 1.00 0.01 C ATOM 2014 C SER F 9 -6.464 -3.339 3.246 1.00 0.01 C ATOM 2015 O SER F 9 -6.271 -3.603 2.075 1.00 0.01 O ATOM 2016 CB SER F 9 -7.234 -0.986 3.503 1.00 0.01 C ATOM 2017 OG SER F 9 -5.887 -0.815 3.928 1.00 0.01 O ATOM 0 H SER F 9 -7.973 -1.913 5.711 1.00 0.01 H new ATOM 0 HA SER F 9 -8.509 -2.677 3.054 1.00 0.01 H new ATOM 0 HB2 SER F 9 -7.339 -0.686 2.460 1.00 0.01 H new ATOM 0 HB3 SER F 9 -7.895 -0.346 4.087 1.00 0.01 H new ATOM 0 HG SER F 9 -5.842 -0.876 4.905 1.00 0.01 H new ATOM 2023 N HIS F 10 -5.658 -3.769 4.177 1.00 0.11 N ATOM 2024 CA HIS F 10 -4.482 -4.598 3.802 1.00 0.11 C ATOM 2025 C HIS F 10 -4.732 -6.070 4.115 1.00 0.11 C ATOM 2026 O HIS F 10 -4.076 -6.939 3.573 1.00 0.11 O ATOM 2027 CB HIS F 10 -3.256 -4.085 4.546 1.00 0.11 C ATOM 2028 CG HIS F 10 -3.016 -2.663 4.121 1.00 0.11 C ATOM 2029 ND1 HIS F 10 -2.524 -2.342 2.865 1.00 0.11 N ATOM 2030 CD2 HIS F 10 -3.233 -1.467 4.757 1.00 0.11 C ATOM 2031 CE1 HIS F 10 -2.463 -1.000 2.786 1.00 0.11 C ATOM 2032 NE2 HIS F 10 -2.884 -0.418 3.912 1.00 0.11 N ATOM 0 H HIS F 10 -5.763 -3.583 5.174 1.00 0.11 H new ATOM 0 HA HIS F 10 -4.312 -4.518 2.728 1.00 0.11 H new ATOM 0 HB2 HIS F 10 -3.414 -4.139 5.623 1.00 0.11 H new ATOM 0 HB3 HIS F 10 -2.387 -4.702 4.319 1.00 0.11 H new ATOM 0 HD1 HIS F 10 -2.257 -3.002 2.135 1.00 0.11 H new ATOM 0 HD2 HIS F 10 -3.616 -1.356 5.761 1.00 0.11 H new ATOM 0 HE1 HIS F 10 -2.116 -0.459 1.918 1.00 0.11 H new ATOM 2040 N LEU F 11 -5.686 -6.371 4.958 1.00 0.01 N ATOM 2041 CA LEU F 11 -5.973 -7.803 5.251 1.00 0.01 C ATOM 2042 C LEU F 11 -6.597 -8.413 3.998 1.00 0.01 C ATOM 2043 O LEU F 11 -6.390 -9.563 3.676 1.00 0.01 O ATOM 2044 CB LEU F 11 -6.967 -7.928 6.413 1.00 0.01 C ATOM 2045 CG LEU F 11 -6.480 -7.130 7.621 1.00 0.01 C ATOM 2046 CD1 LEU F 11 -7.487 -7.273 8.758 1.00 0.01 C ATOM 2047 CD2 LEU F 11 -5.129 -7.668 8.082 1.00 0.01 C ATOM 0 H LEU F 11 -6.271 -5.695 5.450 1.00 0.01 H new ATOM 0 HA LEU F 11 -5.052 -8.315 5.528 1.00 0.01 H new ATOM 0 HB2 LEU F 11 -7.947 -7.566 6.102 1.00 0.01 H new ATOM 0 HB3 LEU F 11 -7.086 -8.976 6.686 1.00 0.01 H new ATOM 0 HG LEU F 11 -6.379 -6.081 7.343 1.00 0.01 H new ATOM 0 HD11 LEU F 11 -7.143 -6.705 9.622 1.00 0.01 H new ATOM 0 HD12 LEU F 11 -8.456 -6.892 8.436 1.00 0.01 H new ATOM 0 HD13 LEU F 11 -7.582 -8.324 9.030 1.00 0.01 H new ATOM 0 HD21 LEU F 11 -4.785 -7.096 8.944 1.00 0.01 H new ATOM 0 HD22 LEU F 11 -5.231 -8.717 8.360 1.00 0.01 H new ATOM 0 HD23 LEU F 11 -4.405 -7.575 7.272 1.00 0.01 H new ATOM 2059 N VAL F 12 -7.369 -7.629 3.293 1.00 0.00 N ATOM 2060 CA VAL F 12 -8.031 -8.127 2.053 1.00 0.00 C ATOM 2061 C VAL F 12 -6.980 -8.468 0.992 1.00 0.00 C ATOM 2062 O VAL F 12 -7.125 -9.411 0.241 1.00 0.00 O ATOM 2063 CB VAL F 12 -8.963 -7.050 1.501 1.00 0.00 C ATOM 2064 CG1 VAL F 12 -10.096 -6.796 2.494 1.00 0.00 C ATOM 2065 CG2 VAL F 12 -8.177 -5.759 1.274 1.00 0.00 C ATOM 0 H VAL F 12 -7.571 -6.657 3.526 1.00 0.00 H new ATOM 0 HA VAL F 12 -8.602 -9.023 2.297 1.00 0.00 H new ATOM 0 HB VAL F 12 -9.384 -7.386 0.553 1.00 0.00 H new ATOM 0 HG11 VAL F 12 -10.760 -6.027 2.099 1.00 0.00 H new ATOM 0 HG12 VAL F 12 -10.658 -7.717 2.648 1.00 0.00 H new ATOM 0 HG13 VAL F 12 -9.679 -6.462 3.444 1.00 0.00 H new ATOM 0 HG21 VAL F 12 -8.844 -4.992 0.880 1.00 0.00 H new ATOM 0 HG22 VAL F 12 -7.752 -5.421 2.219 1.00 0.00 H new ATOM 0 HG23 VAL F 12 -7.374 -5.943 0.561 1.00 0.00 H new ATOM 2075 N GLU F 13 -5.925 -7.702 0.916 1.00 0.09 N ATOM 2076 CA GLU F 13 -4.873 -7.978 -0.103 1.00 0.09 C ATOM 2077 C GLU F 13 -4.384 -9.418 0.037 1.00 0.09 C ATOM 2078 O GLU F 13 -4.306 -10.152 -0.926 1.00 0.09 O ATOM 2079 CB GLU F 13 -3.699 -7.024 0.103 1.00 0.09 C ATOM 2080 CG GLU F 13 -4.208 -5.585 0.110 1.00 0.09 C ATOM 2081 CD GLU F 13 -3.028 -4.629 -0.080 1.00 0.09 C ATOM 2082 OE1 GLU F 13 -2.352 -4.353 0.898 1.00 0.09 O ATOM 2083 OE2 GLU F 13 -2.820 -4.191 -1.200 1.00 0.09 O ATOM 0 H GLU F 13 -5.747 -6.897 1.516 1.00 0.09 H new ATOM 0 HA GLU F 13 -5.292 -7.833 -1.099 1.00 0.09 H new ATOM 0 HB2 GLU F 13 -3.196 -7.248 1.044 1.00 0.09 H new ATOM 0 HB3 GLU F 13 -2.964 -7.157 -0.691 1.00 0.09 H new ATOM 0 HG2 GLU F 13 -4.938 -5.442 -0.686 1.00 0.09 H new ATOM 0 HG3 GLU F 13 -4.716 -5.372 1.051 1.00 0.09 H new ATOM 2090 N ALA F 14 -4.052 -9.828 1.229 1.00 0.01 N ATOM 2091 CA ALA F 14 -3.569 -11.220 1.424 1.00 0.01 C ATOM 2092 C ALA F 14 -4.745 -12.188 1.297 1.00 0.01 C ATOM 2093 O ALA F 14 -4.583 -13.331 0.926 1.00 0.01 O ATOM 2094 CB ALA F 14 -2.954 -11.350 2.817 1.00 0.01 C ATOM 0 H ALA F 14 -4.095 -9.259 2.075 1.00 0.01 H new ATOM 0 HA ALA F 14 -2.819 -11.456 0.669 1.00 0.01 H new ATOM 0 HB1 ALA F 14 -2.598 -12.370 2.964 1.00 0.01 H new ATOM 0 HB2 ALA F 14 -2.118 -10.657 2.912 1.00 0.01 H new ATOM 0 HB3 ALA F 14 -3.706 -11.116 3.570 1.00 0.01 H new ATOM 2100 N LEU F 15 -5.928 -11.738 1.611 1.00 0.01 N ATOM 2101 CA LEU F 15 -7.115 -12.633 1.517 1.00 0.01 C ATOM 2102 C LEU F 15 -7.286 -13.137 0.090 1.00 0.01 C ATOM 2103 O LEU F 15 -7.208 -14.322 -0.166 1.00 0.01 O ATOM 2104 CB LEU F 15 -8.372 -11.864 1.907 1.00 0.01 C ATOM 2105 CG LEU F 15 -8.677 -12.070 3.388 1.00 0.01 C ATOM 2106 CD1 LEU F 15 -9.799 -11.122 3.810 1.00 0.01 C ATOM 2107 CD2 LEU F 15 -9.122 -13.514 3.619 1.00 0.01 C ATOM 0 H LEU F 15 -6.124 -10.789 1.929 1.00 0.01 H new ATOM 0 HA LEU F 15 -6.962 -13.477 2.190 1.00 0.01 H new ATOM 0 HB2 LEU F 15 -8.237 -10.802 1.700 1.00 0.01 H new ATOM 0 HB3 LEU F 15 -9.215 -12.201 1.304 1.00 0.01 H new ATOM 0 HG LEU F 15 -7.783 -11.865 3.977 1.00 0.01 H new ATOM 0 HD11 LEU F 15 -10.019 -11.267 4.868 1.00 0.01 H new ATOM 0 HD12 LEU F 15 -9.487 -10.091 3.642 1.00 0.01 H new ATOM 0 HD13 LEU F 15 -10.692 -11.331 3.222 1.00 0.01 H new ATOM 0 HD21 LEU F 15 -9.340 -13.663 4.677 1.00 0.01 H new ATOM 0 HD22 LEU F 15 -10.017 -13.717 3.032 1.00 0.01 H new ATOM 0 HD23 LEU F 15 -8.326 -14.193 3.314 1.00 0.01 H new ATOM 2119 N TYR F 16 -7.551 -12.257 -0.845 1.00 0.00 N ATOM 2120 CA TYR F 16 -7.756 -12.725 -2.241 1.00 0.00 C ATOM 2121 C TYR F 16 -6.432 -13.194 -2.860 1.00 0.00 C ATOM 2122 O TYR F 16 -6.428 -13.864 -3.876 1.00 0.00 O ATOM 2123 CB TYR F 16 -8.483 -11.647 -3.073 1.00 0.00 C ATOM 2124 CG TYR F 16 -7.564 -10.652 -3.751 1.00 0.00 C ATOM 2125 CD1 TYR F 16 -6.766 -9.723 -2.969 1.00 0.00 C ATOM 2126 CD2 TYR F 16 -7.540 -10.588 -5.204 1.00 0.00 C ATOM 2127 CE1 TYR F 16 -5.946 -8.724 -3.641 1.00 0.00 C ATOM 2128 CE2 TYR F 16 -6.712 -9.603 -5.875 1.00 0.00 C ATOM 2129 CZ TYR F 16 -5.920 -8.667 -5.097 1.00 0.00 C ATOM 2130 OH TYR F 16 -5.162 -7.714 -5.742 1.00 0.00 O ATOM 0 H TYR F 16 -7.632 -11.251 -0.701 1.00 0.00 H new ATOM 0 HA TYR F 16 -8.409 -13.598 -2.237 1.00 0.00 H new ATOM 0 HB2 TYR F 16 -9.089 -12.140 -3.833 1.00 0.00 H new ATOM 0 HB3 TYR F 16 -9.168 -11.104 -2.422 1.00 0.00 H new ATOM 0 HD1 TYR F 16 -6.781 -9.773 -1.890 1.00 0.00 H new ATOM 0 HD2 TYR F 16 -8.139 -11.274 -5.784 1.00 0.00 H new ATOM 0 HE1 TYR F 16 -5.359 -8.027 -3.062 1.00 0.00 H new ATOM 0 HE2 TYR F 16 -6.685 -9.566 -6.954 1.00 0.00 H new ATOM 0 HH TYR F 16 -4.232 -8.019 -5.798 1.00 0.00 H new ATOM 2140 N LEU F 17 -5.319 -12.914 -2.231 1.00 0.10 N ATOM 2141 CA LEU F 17 -4.033 -13.420 -2.766 1.00 0.10 C ATOM 2142 C LEU F 17 -3.987 -14.918 -2.456 1.00 0.10 C ATOM 2143 O LEU F 17 -3.516 -15.720 -3.237 1.00 0.10 O ATOM 2144 CB LEU F 17 -2.869 -12.708 -2.078 1.00 0.10 C ATOM 2145 CG LEU F 17 -1.604 -12.882 -2.914 1.00 0.10 C ATOM 2146 CD1 LEU F 17 -0.822 -11.568 -2.939 1.00 0.10 C ATOM 2147 CD2 LEU F 17 -0.739 -13.981 -2.297 1.00 0.10 C ATOM 0 H LEU F 17 -5.251 -12.361 -1.377 1.00 0.10 H new ATOM 0 HA LEU F 17 -3.953 -13.239 -3.838 1.00 0.10 H new ATOM 0 HB2 LEU F 17 -3.096 -11.649 -1.958 1.00 0.10 H new ATOM 0 HB3 LEU F 17 -2.717 -13.117 -1.079 1.00 0.10 H new ATOM 0 HG LEU F 17 -1.875 -13.159 -3.933 1.00 0.10 H new ATOM 0 HD11 LEU F 17 0.081 -11.693 -3.536 1.00 0.10 H new ATOM 0 HD12 LEU F 17 -1.441 -10.785 -3.377 1.00 0.10 H new ATOM 0 HD13 LEU F 17 -0.548 -11.288 -1.922 1.00 0.10 H new ATOM 0 HD21 LEU F 17 0.166 -14.109 -2.891 1.00 0.10 H new ATOM 0 HD22 LEU F 17 -0.468 -13.702 -1.279 1.00 0.10 H new ATOM 0 HD23 LEU F 17 -1.297 -14.917 -2.280 1.00 0.10 H new ATOM 2159 N VAL F 18 -4.512 -15.293 -1.319 1.00 0.14 N ATOM 2160 CA VAL F 18 -4.548 -16.730 -0.936 1.00 0.14 C ATOM 2161 C VAL F 18 -5.664 -17.415 -1.727 1.00 0.14 C ATOM 2162 O VAL F 18 -5.550 -18.557 -2.120 1.00 0.14 O ATOM 2163 CB VAL F 18 -4.833 -16.845 0.566 1.00 0.14 C ATOM 2164 CG1 VAL F 18 -4.960 -18.318 0.963 1.00 0.14 C ATOM 2165 CG2 VAL F 18 -3.685 -16.209 1.350 1.00 0.14 C ATOM 0 H VAL F 18 -4.921 -14.657 -0.635 1.00 0.14 H new ATOM 0 HA VAL F 18 -3.592 -17.205 -1.156 1.00 0.14 H new ATOM 0 HB VAL F 18 -5.766 -16.330 0.793 1.00 0.14 H new ATOM 0 HG11 VAL F 18 -5.162 -18.391 2.032 1.00 0.14 H new ATOM 0 HG12 VAL F 18 -5.778 -18.776 0.407 1.00 0.14 H new ATOM 0 HG13 VAL F 18 -4.030 -18.838 0.734 1.00 0.14 H new ATOM 0 HG21 VAL F 18 -3.885 -16.290 2.418 1.00 0.14 H new ATOM 0 HG22 VAL F 18 -2.754 -16.725 1.115 1.00 0.14 H new ATOM 0 HG23 VAL F 18 -3.596 -15.158 1.076 1.00 0.14 H new ATOM 2175 N CYS F 19 -6.742 -16.720 -1.964 1.00 0.06 N ATOM 2176 CA CYS F 19 -7.865 -17.321 -2.736 1.00 0.06 C ATOM 2177 C CYS F 19 -7.487 -17.399 -4.218 1.00 0.06 C ATOM 2178 O CYS F 19 -8.027 -18.188 -4.965 1.00 0.06 O ATOM 2179 CB CYS F 19 -9.111 -16.454 -2.580 1.00 0.06 C ATOM 2180 SG CYS F 19 -9.841 -16.734 -0.950 1.00 0.06 S ATOM 0 H CYS F 19 -6.894 -15.760 -1.656 1.00 0.06 H new ATOM 0 HA CYS F 19 -8.066 -18.323 -2.358 1.00 0.06 H new ATOM 0 HB2 CYS F 19 -8.852 -15.402 -2.698 1.00 0.06 H new ATOM 0 HB3 CYS F 19 -9.834 -16.694 -3.360 1.00 0.06 H new ATOM 2185 N GLY F 20 -6.565 -16.584 -4.651 1.00 0.13 N ATOM 2186 CA GLY F 20 -6.156 -16.616 -6.083 1.00 0.13 C ATOM 2187 C GLY F 20 -7.258 -15.997 -6.945 1.00 0.13 C ATOM 2188 O GLY F 20 -7.557 -14.824 -6.842 1.00 0.13 O ATOM 0 H GLY F 20 -6.077 -15.898 -4.075 1.00 0.13 H new ATOM 0 HA2 GLY F 20 -5.224 -16.068 -6.218 1.00 0.13 H new ATOM 0 HA3 GLY F 20 -5.970 -17.643 -6.396 1.00 0.13 H new ATOM 2192 N GLU F 21 -7.861 -16.776 -7.797 1.00 0.48 N ATOM 2193 CA GLU F 21 -8.939 -16.232 -8.669 1.00 0.48 C ATOM 2194 C GLU F 21 -10.270 -16.240 -7.911 1.00 0.48 C ATOM 2195 O GLU F 21 -11.183 -15.510 -8.238 1.00 0.48 O ATOM 2196 CB GLU F 21 -9.055 -17.098 -9.926 1.00 0.48 C ATOM 2197 CG GLU F 21 -7.673 -17.242 -10.571 1.00 0.48 C ATOM 2198 CD GLU F 21 -7.831 -17.552 -12.061 1.00 0.48 C ATOM 2199 OE1 GLU F 21 -8.547 -16.820 -12.727 1.00 0.48 O ATOM 2200 OE2 GLU F 21 -7.233 -18.517 -12.513 1.00 0.48 O ATOM 0 H GLU F 21 -7.655 -17.766 -7.928 1.00 0.48 H new ATOM 0 HA GLU F 21 -8.697 -15.208 -8.953 1.00 0.48 H new ATOM 0 HB2 GLU F 21 -9.453 -18.080 -9.670 1.00 0.48 H new ATOM 0 HB3 GLU F 21 -9.752 -16.645 -10.631 1.00 0.48 H new ATOM 0 HG2 GLU F 21 -7.102 -16.323 -10.439 1.00 0.48 H new ATOM 0 HG3 GLU F 21 -7.113 -18.039 -10.081 1.00 0.48 H new ATOM 2207 N ARG F 22 -10.388 -17.059 -6.900 1.00 0.29 N ATOM 2208 CA ARG F 22 -11.660 -17.110 -6.127 1.00 0.29 C ATOM 2209 C ARG F 22 -11.954 -15.728 -5.541 1.00 0.29 C ATOM 2210 O ARG F 22 -11.180 -14.803 -5.685 1.00 0.29 O ATOM 2211 CB ARG F 22 -11.520 -18.124 -4.991 1.00 0.29 C ATOM 2212 CG ARG F 22 -11.743 -19.531 -5.538 1.00 0.29 C ATOM 2213 CD ARG F 22 -12.119 -20.471 -4.393 1.00 0.29 C ATOM 2214 NE ARG F 22 -10.902 -20.799 -3.603 1.00 0.29 N ATOM 2215 CZ ARG F 22 -10.929 -21.785 -2.748 1.00 0.29 C ATOM 2216 NH1 ARG F 22 -11.795 -21.779 -1.769 1.00 0.29 N ATOM 2217 NH2 ARG F 22 -10.088 -22.779 -2.870 1.00 0.29 N ATOM 0 H ARG F 22 -9.658 -17.694 -6.577 1.00 0.29 H new ATOM 0 HA ARG F 22 -12.477 -17.408 -6.785 1.00 0.29 H new ATOM 0 HB2 ARG F 22 -10.530 -18.049 -4.542 1.00 0.29 H new ATOM 0 HB3 ARG F 22 -12.244 -17.908 -4.205 1.00 0.29 H new ATOM 0 HG2 ARG F 22 -12.534 -19.520 -6.288 1.00 0.29 H new ATOM 0 HG3 ARG F 22 -10.840 -19.887 -6.033 1.00 0.29 H new ATOM 0 HD2 ARG F 22 -12.866 -20.002 -3.753 1.00 0.29 H new ATOM 0 HD3 ARG F 22 -12.566 -21.383 -4.788 1.00 0.29 H new ATOM 0 HE ARG F 22 -10.049 -20.255 -3.729 1.00 0.29 H new ATOM 0 HH11 ARG F 22 -12.450 -21.003 -1.673 1.00 0.29 H new ATOM 0 HH12 ARG F 22 -11.815 -22.550 -1.101 1.00 0.29 H new ATOM 0 HH21 ARG F 22 -9.411 -22.784 -3.633 1.00 0.29 H new ATOM 0 HH22 ARG F 22 -10.109 -23.550 -2.202 1.00 0.29 H new ATOM 2231 N GLY F 23 -13.068 -15.584 -4.879 1.00 0.01 N ATOM 2232 CA GLY F 23 -13.413 -14.265 -4.278 1.00 0.01 C ATOM 2233 C GLY F 23 -13.693 -14.447 -2.786 1.00 0.01 C ATOM 2234 O GLY F 23 -13.561 -15.529 -2.248 1.00 0.01 O ATOM 0 H GLY F 23 -13.755 -16.323 -4.728 1.00 0.01 H new ATOM 0 HA2 GLY F 23 -12.593 -13.561 -4.423 1.00 0.01 H new ATOM 0 HA3 GLY F 23 -14.287 -13.843 -4.775 1.00 0.01 H new ATOM 2238 N PHE F 24 -14.083 -13.400 -2.110 1.00 0.00 N ATOM 2239 CA PHE F 24 -14.370 -13.527 -0.656 1.00 0.00 C ATOM 2240 C PHE F 24 -15.286 -12.382 -0.203 1.00 0.00 C ATOM 2241 O PHE F 24 -15.421 -11.380 -0.875 1.00 0.00 O ATOM 2242 CB PHE F 24 -13.046 -13.485 0.126 1.00 0.00 C ATOM 2243 CG PHE F 24 -12.380 -12.134 -0.040 1.00 0.00 C ATOM 2244 CD1 PHE F 24 -11.917 -11.703 -1.348 1.00 0.00 C ATOM 2245 CD2 PHE F 24 -12.216 -11.264 1.113 1.00 0.00 C ATOM 2246 CE1 PHE F 24 -11.287 -10.400 -1.502 1.00 0.00 C ATOM 2247 CE2 PHE F 24 -11.585 -9.962 0.959 1.00 0.00 C ATOM 2248 CZ PHE F 24 -11.120 -9.530 -0.349 1.00 0.00 C ATOM 0 H PHE F 24 -14.214 -12.467 -2.501 1.00 0.00 H new ATOM 0 HA PHE F 24 -14.874 -14.474 -0.464 1.00 0.00 H new ATOM 0 HB2 PHE F 24 -13.233 -13.678 1.182 1.00 0.00 H new ATOM 0 HB3 PHE F 24 -12.381 -14.272 -0.229 1.00 0.00 H new ATOM 0 HD1 PHE F 24 -12.040 -12.349 -2.205 1.00 0.00 H new ATOM 0 HD2 PHE F 24 -12.563 -11.584 2.084 1.00 0.00 H new ATOM 0 HE1 PHE F 24 -10.943 -10.079 -2.474 1.00 0.00 H new ATOM 0 HE2 PHE F 24 -11.462 -9.317 1.816 1.00 0.00 H new ATOM 0 HZ PHE F 24 -10.651 -8.564 -0.464 1.00 0.00 H new ATOM 2258 N PHE F 25 -15.898 -12.518 0.936 1.00 0.32 N ATOM 2259 CA PHE F 25 -16.782 -11.428 1.436 1.00 0.32 C ATOM 2260 C PHE F 25 -16.102 -10.753 2.625 1.00 0.32 C ATOM 2261 O PHE F 25 -15.758 -11.390 3.599 1.00 0.32 O ATOM 2262 CB PHE F 25 -18.151 -11.983 1.861 1.00 0.32 C ATOM 2263 CG PHE F 25 -17.987 -13.295 2.589 1.00 0.32 C ATOM 2264 CD1 PHE F 25 -17.740 -13.309 4.022 1.00 0.32 C ATOM 2265 CD2 PHE F 25 -18.075 -14.546 1.853 1.00 0.32 C ATOM 2266 CE1 PHE F 25 -17.581 -14.576 4.720 1.00 0.32 C ATOM 2267 CE2 PHE F 25 -17.915 -15.813 2.549 1.00 0.32 C ATOM 2268 CZ PHE F 25 -17.669 -15.828 3.985 1.00 0.32 C ATOM 0 H PHE F 25 -15.826 -13.334 1.543 1.00 0.32 H new ATOM 0 HA PHE F 25 -16.946 -10.705 0.637 1.00 0.32 H new ATOM 0 HB2 PHE F 25 -18.657 -11.264 2.505 1.00 0.32 H new ATOM 0 HB3 PHE F 25 -18.781 -12.124 0.983 1.00 0.32 H new ATOM 0 HD1 PHE F 25 -17.675 -12.379 4.568 1.00 0.32 H new ATOM 0 HD2 PHE F 25 -18.259 -14.534 0.789 1.00 0.32 H new ATOM 0 HE1 PHE F 25 -17.398 -14.587 5.784 1.00 0.32 H new ATOM 0 HE2 PHE F 25 -17.978 -16.742 2.002 1.00 0.32 H new ATOM 0 HZ PHE F 25 -17.552 -16.768 4.503 1.00 0.32 H new ATOM 2278 N TYR F 26 -15.893 -9.470 2.544 1.00 0.00 N ATOM 2279 CA TYR F 26 -15.221 -8.751 3.660 1.00 0.00 C ATOM 2280 C TYR F 26 -16.227 -7.859 4.385 1.00 0.00 C ATOM 2281 O TYR F 26 -16.752 -6.916 3.827 1.00 0.00 O ATOM 2282 CB TYR F 26 -14.097 -7.885 3.093 1.00 0.00 C ATOM 2283 CG TYR F 26 -13.249 -7.361 4.224 1.00 0.00 C ATOM 2284 CD1 TYR F 26 -12.244 -8.217 4.834 1.00 0.00 C ATOM 2285 CD2 TYR F 26 -13.434 -6.001 4.704 1.00 0.00 C ATOM 2286 CE1 TYR F 26 -11.426 -7.714 5.925 1.00 0.00 C ATOM 2287 CE2 TYR F 26 -12.615 -5.497 5.795 1.00 0.00 C ATOM 2288 CZ TYR F 26 -11.611 -6.354 6.406 1.00 0.00 C ATOM 2289 OH TYR F 26 -10.834 -5.876 7.442 1.00 0.00 O ATOM 0 H TYR F 26 -16.159 -8.887 1.751 1.00 0.00 H new ATOM 0 HA TYR F 26 -14.813 -9.477 4.363 1.00 0.00 H new ATOM 0 HB2 TYR F 26 -13.485 -8.469 2.405 1.00 0.00 H new ATOM 0 HB3 TYR F 26 -14.515 -7.055 2.523 1.00 0.00 H new ATOM 0 HD1 TYR F 26 -12.105 -9.227 4.476 1.00 0.00 H new ATOM 0 HD2 TYR F 26 -14.180 -5.365 4.250 1.00 0.00 H new ATOM 0 HE1 TYR F 26 -10.681 -8.350 6.379 1.00 0.00 H new ATOM 0 HE2 TYR F 26 -12.752 -4.487 6.151 1.00 0.00 H new ATOM 0 HH TYR F 26 -11.341 -5.208 7.950 1.00 0.00 H new ATOM 2299 N THR F 27 -16.496 -8.140 5.629 1.00 0.23 N ATOM 2300 CA THR F 27 -17.461 -7.299 6.387 1.00 0.23 C ATOM 2301 C THR F 27 -16.795 -6.784 7.678 1.00 0.23 C ATOM 2302 O THR F 27 -16.738 -7.510 8.650 1.00 0.23 O ATOM 2303 CB THR F 27 -18.697 -8.127 6.743 1.00 0.23 C ATOM 2304 OG1 THR F 27 -18.290 -9.320 7.400 1.00 0.23 O ATOM 2305 CG2 THR F 27 -19.465 -8.478 5.467 1.00 0.23 C ATOM 0 H THR F 27 -16.089 -8.915 6.153 1.00 0.23 H new ATOM 0 HA THR F 27 -17.761 -6.451 5.771 1.00 0.23 H new ATOM 0 HB THR F 27 -19.345 -7.551 7.404 1.00 0.23 H new ATOM 0 HG1 THR F 27 -17.615 -9.106 8.078 1.00 0.23 H new ATOM 0 HG21 THR F 27 -20.345 -9.068 5.723 1.00 0.23 H new ATOM 0 HG22 THR F 27 -19.776 -7.561 4.966 1.00 0.23 H new ATOM 0 HG23 THR F 27 -18.822 -9.055 4.802 1.00 0.23 H new ATOM 2313 N PRO F 28 -16.300 -5.547 7.673 1.00 0.04 N ATOM 2314 CA PRO F 28 -15.647 -4.977 8.864 1.00 0.04 C ATOM 2315 C PRO F 28 -16.708 -4.505 9.859 1.00 0.04 C ATOM 2316 O PRO F 28 -16.772 -3.343 10.211 1.00 0.04 O ATOM 2317 CB PRO F 28 -14.850 -3.789 8.315 1.00 0.04 C ATOM 2318 CG PRO F 28 -15.522 -3.389 6.982 1.00 0.04 C ATOM 2319 CD PRO F 28 -16.342 -4.608 6.517 1.00 0.04 C ATOM 0 HA PRO F 28 -15.015 -5.691 9.393 1.00 0.04 H new ATOM 0 HB2 PRO F 28 -14.859 -2.957 9.019 1.00 0.04 H new ATOM 0 HB3 PRO F 28 -13.807 -4.062 8.157 1.00 0.04 H new ATOM 0 HG2 PRO F 28 -16.165 -2.519 7.118 1.00 0.04 H new ATOM 0 HG3 PRO F 28 -14.774 -3.119 6.237 1.00 0.04 H new ATOM 0 HD2 PRO F 28 -17.366 -4.327 6.270 1.00 0.04 H new ATOM 0 HD3 PRO F 28 -15.911 -5.059 5.623 1.00 0.04 H new ATOM 2327 N LYS F 29 -17.547 -5.396 10.309 1.00 0.40 N ATOM 2328 CA LYS F 29 -18.607 -4.998 11.272 1.00 0.40 C ATOM 2329 C LYS F 29 -19.112 -6.236 12.014 1.00 0.40 C ATOM 2330 O LYS F 29 -20.190 -6.736 11.747 1.00 0.40 O ATOM 2331 CB LYS F 29 -19.768 -4.354 10.511 1.00 0.40 C ATOM 2332 CG LYS F 29 -20.848 -3.916 11.502 1.00 0.40 C ATOM 2333 CD LYS F 29 -21.987 -3.234 10.743 1.00 0.40 C ATOM 2334 CE LYS F 29 -22.800 -4.289 9.989 1.00 0.40 C ATOM 2335 NZ LYS F 29 -23.274 -3.720 8.694 1.00 0.40 N ATOM 0 H LYS F 29 -17.543 -6.383 10.050 1.00 0.40 H new ATOM 0 HA LYS F 29 -18.199 -4.285 11.989 1.00 0.40 H new ATOM 0 HB2 LYS F 29 -19.412 -3.495 9.942 1.00 0.40 H new ATOM 0 HB3 LYS F 29 -20.183 -5.062 9.793 1.00 0.40 H new ATOM 0 HG2 LYS F 29 -21.227 -4.779 12.049 1.00 0.40 H new ATOM 0 HG3 LYS F 29 -20.426 -3.232 12.238 1.00 0.40 H new ATOM 0 HD2 LYS F 29 -22.629 -2.693 11.438 1.00 0.40 H new ATOM 0 HD3 LYS F 29 -21.585 -2.501 10.044 1.00 0.40 H new ATOM 0 HE2 LYS F 29 -22.189 -5.173 9.808 1.00 0.40 H new ATOM 0 HE3 LYS F 29 -23.651 -4.607 10.592 1.00 0.40 H new ATOM 0 HZ1 LYS F 29 -23.855 -4.425 8.197 1.00 0.40 H new ATOM 0 HZ2 LYS F 29 -23.843 -2.869 8.876 1.00 0.40 H new ATOM 0 HZ3 LYS F 29 -22.455 -3.469 8.105 1.00 0.40 H new ATOM 2349 N THR F 30 -18.345 -6.735 12.947 1.00 0.62 N ATOM 2350 CA THR F 30 -18.788 -7.939 13.704 1.00 0.62 C ATOM 2351 C THR F 30 -20.058 -7.603 14.487 1.00 0.62 C ATOM 2352 O THR F 30 -21.021 -8.343 14.361 1.00 0.62 O ATOM 2353 CB THR F 30 -17.686 -8.365 14.680 1.00 0.62 C ATOM 2354 OG1 THR F 30 -16.428 -8.321 14.019 1.00 0.62 O ATOM 2355 CG2 THR F 30 -17.959 -9.790 15.170 1.00 0.62 C ATOM 2356 OXT THR F 30 -20.047 -6.609 15.199 1.00 0.62 O ATOM 0 H THR F 30 -17.435 -6.362 13.216 1.00 0.62 H new ATOM 0 HA THR F 30 -18.990 -8.753 13.008 1.00 0.62 H new ATOM 0 HB THR F 30 -17.672 -7.687 15.533 1.00 0.62 H new ATOM 0 HG1 THR F 30 -15.721 -8.591 14.642 1.00 0.62 H new ATOM 0 HG21 THR F 30 -17.175 -10.093 15.864 1.00 0.62 H new ATOM 0 HG22 THR F 30 -18.924 -9.822 15.676 1.00 0.62 H new ATOM 0 HG23 THR F 30 -17.973 -10.471 14.319 1.00 0.62 H new TER 2364 THR F 30 ATOM 2365 N GLY G 1 -17.062 -7.296 -13.993 1.00 0.29 N ATOM 2366 CA GLY G 1 -18.283 -6.788 -13.305 1.00 0.29 C ATOM 2367 C GLY G 1 -17.907 -5.607 -12.406 1.00 0.29 C ATOM 2368 O GLY G 1 -18.538 -4.569 -12.432 1.00 0.29 O ATOM 0 H1 GLY G 1 -17.253 -7.397 -15.010 1.00 0.29 H new ATOM 0 H2 GLY G 1 -16.280 -6.625 -13.853 1.00 0.29 H new ATOM 0 H3 GLY G 1 -16.800 -8.221 -13.597 1.00 0.29 H new ATOM 0 HA2 GLY G 1 -19.025 -6.477 -14.040 1.00 0.29 H new ATOM 0 HA3 GLY G 1 -18.736 -7.582 -12.711 1.00 0.29 H new ATOM 2374 N ILE G 2 -16.883 -5.756 -11.614 1.00 0.05 N ATOM 2375 CA ILE G 2 -16.470 -4.638 -10.718 1.00 0.05 C ATOM 2376 C ILE G 2 -14.971 -4.400 -10.871 1.00 0.05 C ATOM 2377 O ILE G 2 -14.510 -3.278 -10.927 1.00 0.05 O ATOM 2378 CB ILE G 2 -16.781 -5.005 -9.263 1.00 0.05 C ATOM 2379 CG1 ILE G 2 -16.326 -3.873 -8.335 1.00 0.05 C ATOM 2380 CG2 ILE G 2 -16.040 -6.289 -8.892 1.00 0.05 C ATOM 2381 CD1 ILE G 2 -16.669 -4.234 -6.888 1.00 0.05 C ATOM 0 H ILE G 2 -16.315 -6.600 -11.547 1.00 0.05 H new ATOM 0 HA ILE G 2 -17.016 -3.734 -10.987 1.00 0.05 H new ATOM 0 HB ILE G 2 -17.855 -5.155 -9.153 1.00 0.05 H new ATOM 0 HG12 ILE G 2 -15.253 -3.713 -8.437 1.00 0.05 H new ATOM 0 HG13 ILE G 2 -16.815 -2.940 -8.614 1.00 0.05 H new ATOM 0 HG21 ILE G 2 -16.261 -6.550 -7.857 1.00 0.05 H new ATOM 0 HG22 ILE G 2 -16.363 -7.098 -9.547 1.00 0.05 H new ATOM 0 HG23 ILE G 2 -14.967 -6.136 -9.006 1.00 0.05 H new ATOM 0 HD11 ILE G 2 -16.346 -3.430 -6.226 1.00 0.05 H new ATOM 0 HD12 ILE G 2 -17.746 -4.372 -6.793 1.00 0.05 H new ATOM 0 HD13 ILE G 2 -16.159 -5.157 -6.613 1.00 0.05 H new ATOM 2393 N VAL G 3 -14.206 -5.448 -10.930 1.00 0.01 N ATOM 2394 CA VAL G 3 -12.734 -5.283 -11.068 1.00 0.01 C ATOM 2395 C VAL G 3 -12.422 -4.662 -12.425 1.00 0.01 C ATOM 2396 O VAL G 3 -11.873 -3.582 -12.517 1.00 0.01 O ATOM 2397 CB VAL G 3 -12.033 -6.643 -10.965 1.00 0.01 C ATOM 2398 CG1 VAL G 3 -10.563 -6.412 -10.636 1.00 0.01 C ATOM 2399 CG2 VAL G 3 -12.667 -7.490 -9.851 1.00 0.01 C ATOM 0 H VAL G 3 -14.534 -6.413 -10.889 1.00 0.01 H new ATOM 0 HA VAL G 3 -12.375 -4.636 -10.268 1.00 0.01 H new ATOM 0 HB VAL G 3 -12.136 -7.171 -11.913 1.00 0.01 H new ATOM 0 HG11 VAL G 3 -10.052 -7.372 -10.560 1.00 0.01 H new ATOM 0 HG12 VAL G 3 -10.103 -5.817 -11.425 1.00 0.01 H new ATOM 0 HG13 VAL G 3 -10.481 -5.881 -9.687 1.00 0.01 H new ATOM 0 HG21 VAL G 3 -12.158 -8.452 -9.791 1.00 0.01 H new ATOM 0 HG22 VAL G 3 -12.571 -6.969 -8.898 1.00 0.01 H new ATOM 0 HG23 VAL G 3 -13.722 -7.651 -10.072 1.00 0.01 H new ATOM 2409 N GLU G 4 -12.769 -5.335 -13.481 1.00 0.46 N ATOM 2410 CA GLU G 4 -12.498 -4.787 -14.838 1.00 0.46 C ATOM 2411 C GLU G 4 -13.196 -3.431 -15.014 1.00 0.46 C ATOM 2412 O GLU G 4 -12.876 -2.672 -15.907 1.00 0.46 O ATOM 2413 CB GLU G 4 -13.031 -5.766 -15.882 1.00 0.46 C ATOM 2414 CG GLU G 4 -12.119 -5.753 -17.109 1.00 0.46 C ATOM 2415 CD GLU G 4 -12.973 -5.823 -18.376 1.00 0.46 C ATOM 2416 OE1 GLU G 4 -13.965 -6.539 -18.359 1.00 0.46 O ATOM 2417 OE2 GLU G 4 -12.622 -5.161 -19.342 1.00 0.46 O ATOM 0 H GLU G 4 -13.230 -6.245 -13.465 1.00 0.46 H new ATOM 0 HA GLU G 4 -11.424 -4.650 -14.962 1.00 0.46 H new ATOM 0 HB2 GLU G 4 -13.079 -6.771 -15.462 1.00 0.46 H new ATOM 0 HB3 GLU G 4 -14.046 -5.491 -16.168 1.00 0.46 H new ATOM 0 HG2 GLU G 4 -11.512 -4.848 -17.115 1.00 0.46 H new ATOM 0 HG3 GLU G 4 -11.431 -6.598 -17.074 1.00 0.46 H new ATOM 2424 N GLN G 5 -14.157 -3.124 -14.188 1.00 0.25 N ATOM 2425 CA GLN G 5 -14.877 -1.830 -14.332 1.00 0.25 C ATOM 2426 C GLN G 5 -14.143 -0.722 -13.569 1.00 0.25 C ATOM 2427 O GLN G 5 -14.134 0.419 -13.983 1.00 0.25 O ATOM 2428 CB GLN G 5 -16.289 -1.994 -13.759 1.00 0.25 C ATOM 2429 CG GLN G 5 -17.053 -0.673 -13.853 1.00 0.25 C ATOM 2430 CD GLN G 5 -18.384 -0.809 -13.117 1.00 0.25 C ATOM 2431 OE1 GLN G 5 -18.694 0.051 -12.188 1.00 0.25 O flip ATOM 2432 NE2 GLN G 5 -19.150 -1.713 -13.389 1.00 0.25 N flip ATOM 0 H GLN G 5 -14.474 -3.714 -13.419 1.00 0.25 H new ATOM 0 HA GLN G 5 -14.922 -1.554 -15.386 1.00 0.25 H new ATOM 0 HB2 GLN G 5 -16.823 -2.771 -14.305 1.00 0.25 H new ATOM 0 HB3 GLN G 5 -16.232 -2.317 -12.719 1.00 0.25 H new ATOM 0 HG2 GLN G 5 -16.464 0.134 -13.417 1.00 0.25 H new ATOM 0 HG3 GLN G 5 -17.226 -0.413 -14.897 1.00 0.25 H new ATOM 0 HE21 GLN G 5 -18.907 -2.386 -14.116 1.00 0.25 H new ATOM 0 HE22 GLN G 5 -20.036 -1.799 -12.890 1.00 0.25 H new ATOM 2441 N CYS G 6 -13.551 -1.035 -12.450 1.00 0.00 N ATOM 2442 CA CYS G 6 -12.854 0.024 -11.665 1.00 0.00 C ATOM 2443 C CYS G 6 -11.342 -0.076 -11.836 1.00 0.00 C ATOM 2444 O CYS G 6 -10.636 0.897 -11.656 1.00 0.00 O ATOM 2445 CB CYS G 6 -13.215 -0.122 -10.187 1.00 0.00 C ATOM 2446 SG CYS G 6 -15.017 -0.099 -10.000 1.00 0.00 S ATOM 0 H CYS G 6 -13.519 -1.971 -12.047 1.00 0.00 H new ATOM 0 HA CYS G 6 -13.176 0.998 -12.032 1.00 0.00 H new ATOM 0 HB2 CYS G 6 -12.810 -1.054 -9.793 1.00 0.00 H new ATOM 0 HB3 CYS G 6 -12.769 0.688 -9.611 1.00 0.00 H new ATOM 2451 N CYS G 7 -10.833 -1.225 -12.184 1.00 0.06 N ATOM 2452 CA CYS G 7 -9.359 -1.344 -12.369 1.00 0.06 C ATOM 2453 C CYS G 7 -8.934 -0.715 -13.712 1.00 0.06 C ATOM 2454 O CYS G 7 -7.763 -0.670 -14.031 1.00 0.06 O ATOM 2455 CB CYS G 7 -8.949 -2.816 -12.337 1.00 0.06 C ATOM 2456 SG CYS G 7 -7.144 -2.929 -12.400 1.00 0.06 S ATOM 0 H CYS G 7 -11.367 -2.079 -12.347 1.00 0.06 H new ATOM 0 HA CYS G 7 -8.861 -0.812 -11.558 1.00 0.06 H new ATOM 0 HB2 CYS G 7 -9.324 -3.291 -11.431 1.00 0.06 H new ATOM 0 HB3 CYS G 7 -9.389 -3.347 -13.181 1.00 0.06 H new ATOM 2461 N THR G 8 -9.860 -0.218 -14.503 1.00 0.24 N ATOM 2462 CA THR G 8 -9.468 0.401 -15.801 1.00 0.24 C ATOM 2463 C THR G 8 -9.123 1.874 -15.576 1.00 0.24 C ATOM 2464 O THR G 8 -8.086 2.347 -15.991 1.00 0.24 O ATOM 2465 CB THR G 8 -10.634 0.297 -16.785 1.00 0.24 C ATOM 2466 OG1 THR G 8 -11.835 0.694 -16.138 1.00 0.24 O ATOM 2467 CG2 THR G 8 -10.768 -1.146 -17.268 1.00 0.24 C ATOM 0 H THR G 8 -10.860 -0.217 -14.303 1.00 0.24 H new ATOM 0 HA THR G 8 -8.601 -0.119 -16.207 1.00 0.24 H new ATOM 0 HB THR G 8 -10.448 0.949 -17.639 1.00 0.24 H new ATOM 0 HG1 THR G 8 -12.583 0.629 -16.768 1.00 0.24 H new ATOM 0 HG21 THR G 8 -11.599 -1.219 -17.969 1.00 0.24 H new ATOM 0 HG22 THR G 8 -9.847 -1.451 -17.764 1.00 0.24 H new ATOM 0 HG23 THR G 8 -10.954 -1.799 -16.415 1.00 0.24 H new ATOM 2475 N SER G 9 -9.985 2.603 -14.922 1.00 0.28 N ATOM 2476 CA SER G 9 -9.701 4.044 -14.671 1.00 0.28 C ATOM 2477 C SER G 9 -10.465 4.509 -13.432 1.00 0.28 C ATOM 2478 O SER G 9 -10.941 5.623 -13.374 1.00 0.28 O ATOM 2479 CB SER G 9 -10.138 4.868 -15.879 1.00 0.28 C ATOM 2480 OG SER G 9 -9.555 4.321 -17.053 1.00 0.28 O ATOM 0 H SER G 9 -10.873 2.264 -14.551 1.00 0.28 H new ATOM 0 HA SER G 9 -8.632 4.179 -14.508 1.00 0.28 H new ATOM 0 HB2 SER G 9 -11.225 4.865 -15.963 1.00 0.28 H new ATOM 0 HB3 SER G 9 -9.831 5.907 -15.756 1.00 0.28 H new ATOM 0 HG SER G 9 -8.776 3.779 -16.809 1.00 0.28 H new ATOM 2486 N ILE G 10 -10.570 3.660 -12.442 1.00 0.10 N ATOM 2487 CA ILE G 10 -11.286 4.026 -11.181 1.00 0.10 C ATOM 2488 C ILE G 10 -12.777 4.285 -11.463 1.00 0.10 C ATOM 2489 O ILE G 10 -13.150 4.890 -12.447 1.00 0.10 O ATOM 2490 CB ILE G 10 -10.593 5.256 -10.540 1.00 0.10 C ATOM 2491 CG1 ILE G 10 -9.245 4.805 -9.972 1.00 0.10 C ATOM 2492 CG2 ILE G 10 -11.432 5.842 -9.392 1.00 0.10 C ATOM 2493 CD1 ILE G 10 -8.175 4.872 -11.060 1.00 0.10 C ATOM 0 H ILE G 10 -10.185 2.716 -12.453 1.00 0.10 H new ATOM 0 HA ILE G 10 -11.237 3.198 -10.473 1.00 0.10 H new ATOM 0 HB ILE G 10 -10.472 6.023 -11.304 1.00 0.10 H new ATOM 0 HG12 ILE G 10 -8.963 5.441 -9.133 1.00 0.10 H new ATOM 0 HG13 ILE G 10 -9.324 3.788 -9.589 1.00 0.10 H new ATOM 0 HG21 ILE G 10 -10.916 6.702 -8.966 1.00 0.10 H new ATOM 0 HG22 ILE G 10 -12.404 6.155 -9.774 1.00 0.10 H new ATOM 0 HG23 ILE G 10 -11.572 5.085 -8.621 1.00 0.10 H new ATOM 0 HD11 ILE G 10 -7.218 4.550 -10.649 1.00 0.10 H new ATOM 0 HD12 ILE G 10 -8.454 4.218 -11.886 1.00 0.10 H new ATOM 0 HD13 ILE G 10 -8.088 5.896 -11.422 1.00 0.10 H new ATOM 2505 N CYS G 11 -13.619 3.827 -10.570 1.00 0.05 N ATOM 2506 CA CYS G 11 -15.089 4.022 -10.717 1.00 0.05 C ATOM 2507 C CYS G 11 -15.508 5.258 -9.922 1.00 0.05 C ATOM 2508 O CYS G 11 -14.719 5.839 -9.203 1.00 0.05 O ATOM 2509 CB CYS G 11 -15.826 2.809 -10.140 1.00 0.05 C ATOM 2510 SG CYS G 11 -15.636 1.381 -11.231 1.00 0.05 S ATOM 0 H CYS G 11 -13.341 3.317 -9.731 1.00 0.05 H new ATOM 0 HA CYS G 11 -15.334 4.143 -11.772 1.00 0.05 H new ATOM 0 HB2 CYS G 11 -15.434 2.574 -9.151 1.00 0.05 H new ATOM 0 HB3 CYS G 11 -16.884 3.043 -10.017 1.00 0.05 H new ATOM 2515 N SER G 12 -16.748 5.654 -10.026 1.00 0.28 N ATOM 2516 CA SER G 12 -17.213 6.844 -9.260 1.00 0.28 C ATOM 2517 C SER G 12 -17.584 6.412 -7.840 1.00 0.28 C ATOM 2518 O SER G 12 -17.734 5.241 -7.557 1.00 0.28 O ATOM 2519 CB SER G 12 -18.437 7.451 -9.944 1.00 0.28 C ATOM 2520 OG SER G 12 -18.132 7.708 -11.309 1.00 0.28 O ATOM 0 H SER G 12 -17.457 5.206 -10.607 1.00 0.28 H new ATOM 0 HA SER G 12 -16.417 7.588 -9.223 1.00 0.28 H new ATOM 0 HB2 SER G 12 -19.284 6.769 -9.871 1.00 0.28 H new ATOM 0 HB3 SER G 12 -18.727 8.375 -9.444 1.00 0.28 H new ATOM 0 HG SER G 12 -18.915 8.096 -11.752 1.00 0.28 H new ATOM 2526 N LEU G 13 -17.728 7.348 -6.945 1.00 0.30 N ATOM 2527 CA LEU G 13 -18.079 6.993 -5.540 1.00 0.30 C ATOM 2528 C LEU G 13 -19.411 6.233 -5.498 1.00 0.30 C ATOM 2529 O LEU G 13 -19.563 5.274 -4.769 1.00 0.30 O ATOM 2530 CB LEU G 13 -18.199 8.275 -4.713 1.00 0.30 C ATOM 2531 CG LEU G 13 -18.217 7.925 -3.226 1.00 0.30 C ATOM 2532 CD1 LEU G 13 -17.435 8.981 -2.442 1.00 0.30 C ATOM 2533 CD2 LEU G 13 -19.665 7.892 -2.731 1.00 0.30 C ATOM 0 H LEU G 13 -17.618 8.346 -7.125 1.00 0.30 H new ATOM 0 HA LEU G 13 -17.297 6.355 -5.128 1.00 0.30 H new ATOM 0 HB2 LEU G 13 -17.363 8.940 -4.930 1.00 0.30 H new ATOM 0 HB3 LEU G 13 -19.110 8.810 -4.982 1.00 0.30 H new ATOM 0 HG LEU G 13 -17.757 6.948 -3.076 1.00 0.30 H new ATOM 0 HD11 LEU G 13 -17.448 8.731 -1.381 1.00 0.30 H new ATOM 0 HD12 LEU G 13 -16.404 9.008 -2.796 1.00 0.30 H new ATOM 0 HD13 LEU G 13 -17.895 9.958 -2.590 1.00 0.30 H new ATOM 0 HD21 LEU G 13 -19.681 7.642 -1.670 1.00 0.30 H new ATOM 0 HD22 LEU G 13 -20.123 8.870 -2.881 1.00 0.30 H new ATOM 0 HD23 LEU G 13 -20.223 7.140 -3.289 1.00 0.30 H new ATOM 2545 N TYR G 14 -20.379 6.658 -6.263 1.00 0.53 N ATOM 2546 CA TYR G 14 -21.699 5.961 -6.248 1.00 0.53 C ATOM 2547 C TYR G 14 -21.565 4.564 -6.857 1.00 0.53 C ATOM 2548 O TYR G 14 -22.169 3.617 -6.393 1.00 0.53 O ATOM 2549 CB TYR G 14 -22.711 6.772 -7.059 1.00 0.53 C ATOM 2550 CG TYR G 14 -22.870 8.130 -6.425 1.00 0.53 C ATOM 2551 CD1 TYR G 14 -23.661 8.276 -5.214 1.00 0.53 C ATOM 2552 CD2 TYR G 14 -22.225 9.290 -7.016 1.00 0.53 C ATOM 2553 CE1 TYR G 14 -23.807 9.583 -4.592 1.00 0.53 C ATOM 2554 CE2 TYR G 14 -22.371 10.599 -6.398 1.00 0.53 C ATOM 2555 CZ TYR G 14 -23.162 10.745 -5.184 1.00 0.53 C ATOM 2556 OH TYR G 14 -23.299 11.987 -4.594 1.00 0.53 O ATOM 0 H TYR G 14 -20.315 7.455 -6.896 1.00 0.53 H new ATOM 0 HA TYR G 14 -22.040 5.869 -5.217 1.00 0.53 H new ATOM 0 HB2 TYR G 14 -22.372 6.875 -8.090 1.00 0.53 H new ATOM 0 HB3 TYR G 14 -23.670 6.255 -7.089 1.00 0.53 H new ATOM 0 HD1 TYR G 14 -24.141 7.413 -4.776 1.00 0.53 H new ATOM 0 HD2 TYR G 14 -21.637 9.180 -7.915 1.00 0.53 H new ATOM 0 HE1 TYR G 14 -24.394 9.691 -3.692 1.00 0.53 H new ATOM 0 HE2 TYR G 14 -21.893 11.461 -6.839 1.00 0.53 H new ATOM 0 HH TYR G 14 -22.805 12.653 -5.116 1.00 0.53 H new ATOM 2566 N GLN G 15 -20.788 4.425 -7.893 1.00 0.23 N ATOM 2567 CA GLN G 15 -20.630 3.087 -8.525 1.00 0.23 C ATOM 2568 C GLN G 15 -20.103 2.086 -7.494 1.00 0.23 C ATOM 2569 O GLN G 15 -20.429 0.916 -7.528 1.00 0.23 O ATOM 2570 CB GLN G 15 -19.646 3.188 -9.689 1.00 0.23 C ATOM 2571 CG GLN G 15 -20.361 3.774 -10.904 1.00 0.23 C ATOM 2572 CD GLN G 15 -19.463 3.643 -12.132 1.00 0.23 C ATOM 2573 OE1 GLN G 15 -18.939 4.717 -12.657 1.00 0.23 O flip ATOM 2574 NE2 GLN G 15 -19.235 2.553 -12.619 1.00 0.23 N flip ATOM 0 H GLN G 15 -20.256 5.178 -8.329 1.00 0.23 H new ATOM 0 HA GLN G 15 -21.597 2.746 -8.894 1.00 0.23 H new ATOM 0 HB2 GLN G 15 -18.800 3.817 -9.412 1.00 0.23 H new ATOM 0 HB3 GLN G 15 -19.245 2.203 -9.928 1.00 0.23 H new ATOM 0 HG2 GLN G 15 -21.304 3.253 -11.072 1.00 0.23 H new ATOM 0 HG3 GLN G 15 -20.603 4.822 -10.727 1.00 0.23 H new ATOM 0 HE21 GLN G 15 -19.645 1.715 -12.208 1.00 0.23 H new ATOM 0 HE22 GLN G 15 -18.633 2.477 -13.439 1.00 0.23 H new ATOM 2583 N LEU G 16 -19.292 2.534 -6.576 1.00 0.01 N ATOM 2584 CA LEU G 16 -18.746 1.603 -5.548 1.00 0.01 C ATOM 2585 C LEU G 16 -19.853 1.222 -4.565 1.00 0.01 C ATOM 2586 O LEU G 16 -19.852 0.148 -3.997 1.00 0.01 O ATOM 2587 CB LEU G 16 -17.607 2.291 -4.792 1.00 0.01 C ATOM 2588 CG LEU G 16 -16.457 2.587 -5.757 1.00 0.01 C ATOM 2589 CD1 LEU G 16 -15.314 3.262 -4.996 1.00 0.01 C ATOM 2590 CD2 LEU G 16 -15.958 1.278 -6.370 1.00 0.01 C ATOM 0 H LEU G 16 -18.984 3.503 -6.493 1.00 0.01 H new ATOM 0 HA LEU G 16 -18.369 0.704 -6.035 1.00 0.01 H new ATOM 0 HB2 LEU G 16 -17.964 3.217 -4.340 1.00 0.01 H new ATOM 0 HB3 LEU G 16 -17.259 1.653 -3.980 1.00 0.01 H new ATOM 0 HG LEU G 16 -16.807 3.249 -6.549 1.00 0.01 H new ATOM 0 HD11 LEU G 16 -14.494 3.473 -5.683 1.00 0.01 H new ATOM 0 HD12 LEU G 16 -15.669 4.195 -4.558 1.00 0.01 H new ATOM 0 HD13 LEU G 16 -14.963 2.600 -4.205 1.00 0.01 H new ATOM 0 HD21 LEU G 16 -15.139 1.487 -7.058 1.00 0.01 H new ATOM 0 HD22 LEU G 16 -15.607 0.616 -5.578 1.00 0.01 H new ATOM 0 HD23 LEU G 16 -16.772 0.796 -6.912 1.00 0.01 H new ATOM 2602 N GLU G 17 -20.799 2.096 -4.358 1.00 0.26 N ATOM 2603 CA GLU G 17 -21.907 1.789 -3.409 1.00 0.26 C ATOM 2604 C GLU G 17 -22.704 0.584 -3.910 1.00 0.26 C ATOM 2605 O GLU G 17 -23.239 -0.181 -3.134 1.00 0.26 O ATOM 2606 CB GLU G 17 -22.832 2.998 -3.307 1.00 0.26 C ATOM 2607 CG GLU G 17 -22.417 3.852 -2.109 1.00 0.26 C ATOM 2608 CD GLU G 17 -23.667 4.329 -1.372 1.00 0.26 C ATOM 2609 OE1 GLU G 17 -24.439 5.062 -1.972 1.00 0.26 O ATOM 2610 OE2 GLU G 17 -23.835 3.951 -0.223 1.00 0.26 O ATOM 0 H GLU G 17 -20.853 3.011 -4.806 1.00 0.26 H new ATOM 0 HA GLU G 17 -21.488 1.559 -2.429 1.00 0.26 H new ATOM 0 HB2 GLU G 17 -22.782 3.587 -4.223 1.00 0.26 H new ATOM 0 HB3 GLU G 17 -23.866 2.671 -3.194 1.00 0.26 H new ATOM 0 HG2 GLU G 17 -21.783 3.273 -1.437 1.00 0.26 H new ATOM 0 HG3 GLU G 17 -21.829 4.707 -2.443 1.00 0.26 H new ATOM 2617 N ASN G 18 -22.791 0.410 -5.199 1.00 0.40 N ATOM 2618 CA ASN G 18 -23.558 -0.747 -5.741 1.00 0.40 C ATOM 2619 C ASN G 18 -22.966 -2.048 -5.199 1.00 0.40 C ATOM 2620 O ASN G 18 -23.653 -3.040 -5.055 1.00 0.40 O ATOM 2621 CB ASN G 18 -23.472 -0.749 -7.268 1.00 0.40 C ATOM 2622 CG ASN G 18 -23.902 0.616 -7.804 1.00 0.40 C ATOM 2623 OD1 ASN G 18 -24.726 1.284 -7.209 1.00 0.40 O ATOM 2624 ND2 ASN G 18 -23.375 1.064 -8.910 1.00 0.40 N ATOM 0 H ASN G 18 -22.365 1.017 -5.900 1.00 0.40 H new ATOM 0 HA ASN G 18 -24.601 -0.664 -5.436 1.00 0.40 H new ATOM 0 HB2 ASN G 18 -22.453 -0.972 -7.585 1.00 0.40 H new ATOM 0 HB3 ASN G 18 -24.112 -1.531 -7.678 1.00 0.40 H new ATOM 0 HD21 ASN G 18 -23.654 1.974 -9.276 1.00 0.40 H new ATOM 0 HD22 ASN G 18 -22.684 0.504 -9.409 1.00 0.40 H new ATOM 2631 N TYR G 19 -21.696 -2.057 -4.899 1.00 0.11 N ATOM 2632 CA TYR G 19 -21.066 -3.300 -4.367 1.00 0.11 C ATOM 2633 C TYR G 19 -21.002 -3.252 -2.834 1.00 0.11 C ATOM 2634 O TYR G 19 -20.313 -4.039 -2.216 1.00 0.11 O ATOM 2635 CB TYR G 19 -19.643 -3.421 -4.913 1.00 0.11 C ATOM 2636 CG TYR G 19 -19.651 -3.209 -6.408 1.00 0.11 C ATOM 2637 CD1 TYR G 19 -20.199 -4.232 -7.285 1.00 0.11 C ATOM 2638 CD2 TYR G 19 -19.105 -1.984 -6.970 1.00 0.11 C ATOM 2639 CE1 TYR G 19 -20.200 -4.030 -8.725 1.00 0.11 C ATOM 2640 CE2 TYR G 19 -19.107 -1.782 -8.410 1.00 0.11 C ATOM 2641 CZ TYR G 19 -19.654 -2.805 -9.288 1.00 0.11 C ATOM 2642 OH TYR G 19 -19.652 -2.614 -10.656 1.00 0.11 O ATOM 0 H TYR G 19 -21.068 -1.259 -4.999 1.00 0.11 H new ATOM 0 HA TYR G 19 -21.665 -4.156 -4.677 1.00 0.11 H new ATOM 0 HB2 TYR G 19 -18.996 -2.685 -4.435 1.00 0.11 H new ATOM 0 HB3 TYR G 19 -19.235 -4.404 -4.678 1.00 0.11 H new ATOM 0 HD1 TYR G 19 -20.605 -5.141 -6.867 1.00 0.11 H new ATOM 0 HD2 TYR G 19 -18.698 -1.225 -6.318 1.00 0.11 H new ATOM 0 HE1 TYR G 19 -20.606 -4.790 -9.377 1.00 0.11 H new ATOM 0 HE2 TYR G 19 -18.702 -0.872 -8.828 1.00 0.11 H new ATOM 0 HH TYR G 19 -19.246 -3.391 -11.094 1.00 0.11 H new ATOM 2652 N CYS G 20 -21.702 -2.341 -2.209 1.00 0.05 N ATOM 2653 CA CYS G 20 -21.652 -2.264 -0.726 1.00 0.05 C ATOM 2654 C CYS G 20 -22.631 -3.271 -0.128 1.00 0.05 C ATOM 2655 O CYS G 20 -23.580 -3.684 -0.765 1.00 0.05 O ATOM 2656 CB CYS G 20 -22.039 -0.854 -0.282 1.00 0.05 C ATOM 2657 SG CYS G 20 -21.376 -0.542 1.371 1.00 0.05 S ATOM 0 H CYS G 20 -22.302 -1.652 -2.662 1.00 0.05 H new ATOM 0 HA CYS G 20 -20.643 -2.494 -0.383 1.00 0.05 H new ATOM 0 HB2 CYS G 20 -21.650 -0.119 -0.987 1.00 0.05 H new ATOM 0 HB3 CYS G 20 -23.124 -0.747 -0.277 1.00 0.05 H new ATOM 2662 N ASN G 21 -22.408 -3.671 1.092 1.00 0.41 N ATOM 2663 CA ASN G 21 -23.324 -4.653 1.731 1.00 0.41 C ATOM 2664 C ASN G 21 -24.419 -3.908 2.498 1.00 0.41 C ATOM 2665 O ASN G 21 -24.273 -3.752 3.698 1.00 0.41 O ATOM 2666 CB ASN G 21 -22.527 -5.526 2.699 1.00 0.41 C ATOM 2667 CG ASN G 21 -23.286 -6.825 2.955 1.00 0.41 C ATOM 2668 OD1 ASN G 21 -22.960 -7.854 2.395 1.00 0.41 O ATOM 2669 ND2 ASN G 21 -24.298 -6.822 3.780 1.00 0.41 N ATOM 2670 OXT ASN G 21 -25.386 -3.508 1.870 1.00 0.41 O ATOM 0 H ASN G 21 -21.630 -3.360 1.674 1.00 0.41 H new ATOM 0 HA ASN G 21 -23.783 -5.278 0.965 1.00 0.41 H new ATOM 0 HB2 ASN G 21 -21.543 -5.743 2.284 1.00 0.41 H new ATOM 0 HB3 ASN G 21 -22.367 -4.995 3.637 1.00 0.41 H new ATOM 0 HD21 ASN G 21 -24.816 -7.683 3.955 1.00 0.41 H new ATOM 0 HD22 ASN G 21 -24.571 -5.958 4.249 1.00 0.41 H new TER 2677 ASN G 21 ATOM 2678 N PHE H 1 3.522 -3.211 -14.300 1.00 0.42 N ATOM 2679 CA PHE H 1 2.205 -3.375 -14.977 1.00 0.42 C ATOM 2680 C PHE H 1 1.306 -4.281 -14.126 1.00 0.42 C ATOM 2681 O PHE H 1 0.117 -4.059 -14.015 1.00 0.42 O ATOM 2682 CB PHE H 1 2.421 -4.001 -16.361 1.00 0.42 C ATOM 2683 CG PHE H 1 1.088 -4.204 -17.039 1.00 0.42 C ATOM 2684 CD1 PHE H 1 0.115 -3.124 -17.063 1.00 0.42 C ATOM 2685 CD2 PHE H 1 0.773 -5.481 -17.659 1.00 0.42 C ATOM 2686 CE1 PHE H 1 -1.174 -3.319 -17.707 1.00 0.42 C ATOM 2687 CE2 PHE H 1 -0.516 -5.677 -18.304 1.00 0.42 C ATOM 2688 CZ PHE H 1 -1.490 -4.597 -18.328 1.00 0.42 C ATOM 0 H1 PHE H 1 4.070 -2.469 -14.781 1.00 0.42 H new ATOM 0 H2 PHE H 1 3.371 -2.941 -13.307 1.00 0.42 H new ATOM 0 H3 PHE H 1 4.046 -4.108 -14.339 1.00 0.42 H new ATOM 0 HA PHE H 1 1.725 -2.403 -15.094 1.00 0.42 H new ATOM 0 HB2 PHE H 1 3.055 -3.355 -16.969 1.00 0.42 H new ATOM 0 HB3 PHE H 1 2.939 -4.955 -16.263 1.00 0.42 H new ATOM 0 HD1 PHE H 1 0.350 -2.176 -16.602 1.00 0.42 H new ATOM 0 HD2 PHE H 1 1.496 -6.283 -17.641 1.00 0.42 H new ATOM 0 HE1 PHE H 1 -1.896 -2.516 -17.725 1.00 0.42 H new ATOM 0 HE2 PHE H 1 -0.750 -6.625 -18.765 1.00 0.42 H new ATOM 0 HZ PHE H 1 -2.447 -4.743 -18.806 1.00 0.42 H new ATOM 2700 N VAL H 2 1.874 -5.302 -13.532 1.00 0.12 N ATOM 2701 CA VAL H 2 1.087 -6.253 -12.676 1.00 0.12 C ATOM 2702 C VAL H 2 -0.259 -6.617 -13.330 1.00 0.12 C ATOM 2703 O VAL H 2 -0.432 -6.496 -14.526 1.00 0.12 O ATOM 2704 CB VAL H 2 0.863 -5.636 -11.288 1.00 0.12 C ATOM 2705 CG1 VAL H 2 2.204 -5.159 -10.733 1.00 0.12 C ATOM 2706 CG2 VAL H 2 -0.102 -4.449 -11.376 1.00 0.12 C ATOM 0 H VAL H 2 2.867 -5.523 -13.604 1.00 0.12 H new ATOM 0 HA VAL H 2 1.659 -7.175 -12.572 1.00 0.12 H new ATOM 0 HB VAL H 2 0.430 -6.389 -10.630 1.00 0.12 H new ATOM 0 HG11 VAL H 2 2.054 -4.719 -9.747 1.00 0.12 H new ATOM 0 HG12 VAL H 2 2.886 -6.005 -10.653 1.00 0.12 H new ATOM 0 HG13 VAL H 2 2.630 -4.412 -11.403 1.00 0.12 H new ATOM 0 HG21 VAL H 2 -0.249 -4.025 -10.383 1.00 0.12 H new ATOM 0 HG22 VAL H 2 0.315 -3.689 -12.037 1.00 0.12 H new ATOM 0 HG23 VAL H 2 -1.060 -4.787 -11.771 1.00 0.12 H new ATOM 2716 N ASN H 3 -1.198 -7.081 -12.553 1.00 0.26 N ATOM 2717 CA ASN H 3 -2.512 -7.475 -13.121 1.00 0.26 C ATOM 2718 C ASN H 3 -3.601 -7.327 -12.057 1.00 0.26 C ATOM 2719 O ASN H 3 -3.367 -6.827 -10.975 1.00 0.26 O ATOM 2720 CB ASN H 3 -2.436 -8.940 -13.553 1.00 0.26 C ATOM 2721 CG ASN H 3 -3.333 -9.172 -14.767 1.00 0.26 C ATOM 2722 OD1 ASN H 3 -4.245 -9.973 -14.716 1.00 0.26 O ATOM 2723 ND2 ASN H 3 -3.114 -8.499 -15.864 1.00 0.26 N ATOM 0 H ASN H 3 -1.109 -7.204 -11.544 1.00 0.26 H new ATOM 0 HA ASN H 3 -2.750 -6.837 -13.972 1.00 0.26 H new ATOM 0 HB2 ASN H 3 -1.406 -9.204 -13.795 1.00 0.26 H new ATOM 0 HB3 ASN H 3 -2.746 -9.587 -12.732 1.00 0.26 H new ATOM 0 HD21 ASN H 3 -3.709 -8.645 -16.679 1.00 0.26 H new ATOM 0 HD22 ASN H 3 -2.348 -7.827 -15.906 1.00 0.26 H new ATOM 2730 N GLN H 4 -4.789 -7.780 -12.356 1.00 0.19 N ATOM 2731 CA GLN H 4 -5.910 -7.700 -11.376 1.00 0.19 C ATOM 2732 C GLN H 4 -5.469 -8.321 -10.040 1.00 0.19 C ATOM 2733 O GLN H 4 -5.867 -7.887 -8.978 1.00 0.19 O ATOM 2734 CB GLN H 4 -7.103 -8.479 -11.954 1.00 0.19 C ATOM 2735 CG GLN H 4 -8.238 -8.581 -10.926 1.00 0.19 C ATOM 2736 CD GLN H 4 -9.494 -9.130 -11.604 1.00 0.19 C ATOM 2737 OE1 GLN H 4 -10.053 -10.117 -11.163 1.00 0.19 O ATOM 2738 NE2 GLN H 4 -9.960 -8.535 -12.670 1.00 0.19 N ATOM 0 H GLN H 4 -5.033 -8.208 -13.249 1.00 0.19 H new ATOM 0 HA GLN H 4 -6.193 -6.662 -11.199 1.00 0.19 H new ATOM 0 HB2 GLN H 4 -7.465 -7.982 -12.854 1.00 0.19 H new ATOM 0 HB3 GLN H 4 -6.782 -9.478 -12.248 1.00 0.19 H new ATOM 0 HG2 GLN H 4 -7.941 -9.233 -10.104 1.00 0.19 H new ATOM 0 HG3 GLN H 4 -8.443 -7.600 -10.497 1.00 0.19 H new ATOM 0 HE21 GLN H 4 -9.491 -7.708 -13.039 1.00 0.19 H new ATOM 0 HE22 GLN H 4 -10.793 -8.898 -13.133 1.00 0.19 H new ATOM 2747 N HIS H 5 -4.660 -9.342 -10.095 1.00 0.14 N ATOM 2748 CA HIS H 5 -4.201 -10.007 -8.845 1.00 0.14 C ATOM 2749 C HIS H 5 -3.602 -8.978 -7.878 1.00 0.14 C ATOM 2750 O HIS H 5 -3.514 -9.219 -6.692 1.00 0.14 O ATOM 2751 CB HIS H 5 -3.149 -11.061 -9.193 1.00 0.14 C ATOM 2752 CG HIS H 5 -3.021 -12.030 -8.054 1.00 0.14 C ATOM 2753 ND1 HIS H 5 -4.040 -12.899 -7.708 1.00 0.14 N ATOM 2754 CD2 HIS H 5 -1.999 -12.277 -7.173 1.00 0.14 C ATOM 2755 CE1 HIS H 5 -3.615 -13.623 -6.658 1.00 0.14 C ATOM 2756 NE2 HIS H 5 -2.377 -13.284 -6.291 1.00 0.14 N ATOM 0 H HIS H 5 -4.295 -9.746 -10.958 1.00 0.14 H new ATOM 0 HA HIS H 5 -5.054 -10.482 -8.361 1.00 0.14 H new ATOM 0 HB2 HIS H 5 -3.433 -11.588 -10.104 1.00 0.14 H new ATOM 0 HB3 HIS H 5 -2.189 -10.583 -9.388 1.00 0.14 H new ATOM 0 HD1 HIS H 5 -4.948 -12.976 -8.166 1.00 0.14 H new ATOM 0 HD2 HIS H 5 -1.047 -11.768 -7.165 1.00 0.14 H new ATOM 0 HE1 HIS H 5 -4.204 -14.386 -6.171 1.00 0.14 H new ATOM 2764 N LEU H 6 -3.176 -7.844 -8.369 1.00 0.05 N ATOM 2765 CA LEU H 6 -2.583 -6.811 -7.464 1.00 0.05 C ATOM 2766 C LEU H 6 -3.420 -5.523 -7.518 1.00 0.05 C ATOM 2767 O LEU H 6 -3.474 -4.765 -6.572 1.00 0.05 O ATOM 2768 CB LEU H 6 -1.154 -6.505 -7.909 1.00 0.05 C ATOM 2769 CG LEU H 6 -0.216 -7.605 -7.419 1.00 0.05 C ATOM 2770 CD1 LEU H 6 1.208 -7.304 -7.886 1.00 0.05 C ATOM 2771 CD2 LEU H 6 -0.249 -7.659 -5.891 1.00 0.05 C ATOM 0 H LEU H 6 -3.212 -7.587 -9.355 1.00 0.05 H new ATOM 0 HA LEU H 6 -2.577 -7.192 -6.443 1.00 0.05 H new ATOM 0 HB2 LEU H 6 -1.109 -6.433 -8.996 1.00 0.05 H new ATOM 0 HB3 LEU H 6 -0.838 -5.540 -7.512 1.00 0.05 H new ATOM 0 HG LEU H 6 -0.537 -8.564 -7.824 1.00 0.05 H new ATOM 0 HD11 LEU H 6 1.879 -8.089 -7.537 1.00 0.05 H new ATOM 0 HD12 LEU H 6 1.233 -7.263 -8.975 1.00 0.05 H new ATOM 0 HD13 LEU H 6 1.529 -6.345 -7.480 1.00 0.05 H new ATOM 0 HD21 LEU H 6 0.421 -8.444 -5.540 1.00 0.05 H new ATOM 0 HD22 LEU H 6 0.073 -6.700 -5.486 1.00 0.05 H new ATOM 0 HD23 LEU H 6 -1.264 -7.872 -5.556 1.00 0.05 H new ATOM 2783 N CYS H 7 -4.064 -5.272 -8.623 1.00 0.04 N ATOM 2784 CA CYS H 7 -4.894 -4.045 -8.766 1.00 0.04 C ATOM 2785 C CYS H 7 -6.103 -4.126 -7.822 1.00 0.04 C ATOM 2786 O CYS H 7 -6.434 -3.177 -7.144 1.00 0.04 O ATOM 2787 CB CYS H 7 -5.358 -3.972 -10.228 1.00 0.04 C ATOM 2788 SG CYS H 7 -6.531 -2.619 -10.498 1.00 0.04 S ATOM 0 H CYS H 7 -4.050 -5.875 -9.446 1.00 0.04 H new ATOM 0 HA CYS H 7 -4.323 -3.154 -8.507 1.00 0.04 H new ATOM 0 HB2 CYS H 7 -4.493 -3.837 -10.877 1.00 0.04 H new ATOM 0 HB3 CYS H 7 -5.823 -4.917 -10.509 1.00 0.04 H new ATOM 2793 N GLY H 8 -6.764 -5.249 -7.789 1.00 0.00 N ATOM 2794 CA GLY H 8 -7.959 -5.393 -6.906 1.00 0.00 C ATOM 2795 C GLY H 8 -7.574 -5.190 -5.439 1.00 0.00 C ATOM 2796 O GLY H 8 -8.363 -4.720 -4.645 1.00 0.00 O ATOM 0 H GLY H 8 -6.529 -6.077 -8.336 1.00 0.00 H new ATOM 0 HA2 GLY H 8 -8.719 -4.665 -7.192 1.00 0.00 H new ATOM 0 HA3 GLY H 8 -8.399 -6.382 -7.039 1.00 0.00 H new ATOM 2800 N SER H 9 -6.375 -5.547 -5.063 1.00 0.01 N ATOM 2801 CA SER H 9 -5.958 -5.379 -3.639 1.00 0.01 C ATOM 2802 C SER H 9 -6.136 -3.922 -3.213 1.00 0.01 C ATOM 2803 O SER H 9 -6.259 -3.622 -2.043 1.00 0.01 O ATOM 2804 CB SER H 9 -4.480 -5.760 -3.478 1.00 0.01 C ATOM 2805 OG SER H 9 -3.663 -4.676 -3.903 1.00 0.01 O ATOM 0 H SER H 9 -5.667 -5.947 -5.679 1.00 0.01 H new ATOM 0 HA SER H 9 -6.577 -6.026 -3.017 1.00 0.01 H new ATOM 0 HB2 SER H 9 -4.267 -6.004 -2.437 1.00 0.01 H new ATOM 0 HB3 SER H 9 -4.257 -6.650 -4.066 1.00 0.01 H new ATOM 0 HG SER H 9 -3.357 -4.837 -4.820 1.00 0.01 H new ATOM 2811 N HIS H 10 -6.119 -3.009 -4.144 1.00 0.11 N ATOM 2812 CA HIS H 10 -6.250 -1.576 -3.770 1.00 0.11 C ATOM 2813 C HIS H 10 -7.654 -1.060 -4.075 1.00 0.11 C ATOM 2814 O HIS H 10 -8.080 -0.063 -3.527 1.00 0.11 O ATOM 2815 CB HIS H 10 -5.200 -0.770 -4.524 1.00 0.11 C ATOM 2816 CG HIS H 10 -3.845 -1.273 -4.110 1.00 0.11 C ATOM 2817 ND1 HIS H 10 -3.312 -1.007 -2.858 1.00 0.11 N ATOM 2818 CD2 HIS H 10 -2.920 -2.057 -4.752 1.00 0.11 C ATOM 2819 CE1 HIS H 10 -2.120 -1.624 -2.785 1.00 0.11 C ATOM 2820 NE2 HIS H 10 -1.832 -2.279 -3.913 1.00 0.11 N ATOM 0 H HIS H 10 -6.021 -3.193 -5.142 1.00 0.11 H new ATOM 0 HA HIS H 10 -6.089 -1.466 -2.698 1.00 0.11 H new ATOM 0 HB2 HIS H 10 -5.335 -0.880 -5.600 1.00 0.11 H new ATOM 0 HB3 HIS H 10 -5.298 0.292 -4.297 1.00 0.11 H new ATOM 0 HD1 HIS H 10 -3.746 -0.445 -2.125 1.00 0.11 H new ATOM 0 HD2 HIS H 10 -3.021 -2.443 -5.756 1.00 0.11 H new ATOM 0 HE1 HIS H 10 -1.474 -1.594 -1.920 1.00 0.11 H new ATOM 2828 N LEU H 11 -8.391 -1.734 -4.918 1.00 0.01 N ATOM 2829 CA LEU H 11 -9.778 -1.272 -5.206 1.00 0.01 C ATOM 2830 C LEU H 11 -10.609 -1.511 -3.949 1.00 0.01 C ATOM 2831 O LEU H 11 -11.503 -0.758 -3.622 1.00 0.01 O ATOM 2832 CB LEU H 11 -10.384 -2.072 -6.364 1.00 0.01 C ATOM 2833 CG LEU H 11 -9.454 -2.045 -7.577 1.00 0.01 C ATOM 2834 CD1 LEU H 11 -10.089 -2.840 -8.714 1.00 0.01 C ATOM 2835 CD2 LEU H 11 -9.239 -0.604 -8.034 1.00 0.01 C ATOM 0 H LEU H 11 -8.096 -2.575 -5.414 1.00 0.01 H new ATOM 0 HA LEU H 11 -9.768 -0.218 -5.485 1.00 0.01 H new ATOM 0 HB2 LEU H 11 -10.555 -3.102 -6.052 1.00 0.01 H new ATOM 0 HB3 LEU H 11 -11.355 -1.655 -6.633 1.00 0.01 H new ATOM 0 HG LEU H 11 -8.495 -2.485 -7.304 1.00 0.01 H new ATOM 0 HD11 LEU H 11 -9.430 -2.824 -9.582 1.00 0.01 H new ATOM 0 HD12 LEU H 11 -10.244 -3.871 -8.395 1.00 0.01 H new ATOM 0 HD13 LEU H 11 -11.048 -2.394 -8.979 1.00 0.01 H new ATOM 0 HD21 LEU H 11 -8.575 -0.592 -8.899 1.00 0.01 H new ATOM 0 HD22 LEU H 11 -10.197 -0.162 -8.306 1.00 0.01 H new ATOM 0 HD23 LEU H 11 -8.790 -0.029 -7.224 1.00 0.01 H new ATOM 2847 N VAL H 12 -10.310 -2.573 -3.248 1.00 0.00 N ATOM 2848 CA VAL H 12 -11.062 -2.900 -2.005 1.00 0.00 C ATOM 2849 C VAL H 12 -10.827 -1.817 -0.946 1.00 0.00 C ATOM 2850 O VAL H 12 -11.715 -1.471 -0.193 1.00 0.00 O ATOM 2851 CB VAL H 12 -10.592 -4.246 -1.455 1.00 0.00 C ATOM 2852 CG1 VAL H 12 -10.938 -5.355 -2.445 1.00 0.00 C ATOM 2853 CG2 VAL H 12 -9.080 -4.209 -1.236 1.00 0.00 C ATOM 0 H VAL H 12 -9.570 -3.233 -3.487 1.00 0.00 H new ATOM 0 HA VAL H 12 -12.125 -2.950 -2.243 1.00 0.00 H new ATOM 0 HB VAL H 12 -11.091 -4.442 -0.506 1.00 0.00 H new ATOM 0 HG11 VAL H 12 -10.602 -6.314 -2.050 1.00 0.00 H new ATOM 0 HG12 VAL H 12 -12.017 -5.384 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL H 12 -10.443 -5.161 -3.396 1.00 0.00 H new ATOM 0 HG21 VAL H 12 -8.746 -5.169 -0.844 1.00 0.00 H new ATOM 0 HG22 VAL H 12 -8.580 -4.010 -2.184 1.00 0.00 H new ATOM 0 HG23 VAL H 12 -8.835 -3.421 -0.524 1.00 0.00 H new ATOM 2863 N GLU H 13 -9.637 -1.288 -0.872 1.00 0.09 N ATOM 2864 CA GLU H 13 -9.349 -0.238 0.149 1.00 0.09 C ATOM 2865 C GLU H 13 -10.353 0.903 0.017 1.00 0.09 C ATOM 2866 O GLU H 13 -10.946 1.336 0.985 1.00 0.09 O ATOM 2867 CB GLU H 13 -7.940 0.307 -0.065 1.00 0.09 C ATOM 2868 CG GLU H 13 -6.945 -0.851 -0.080 1.00 0.09 C ATOM 2869 CD GLU H 13 -5.530 -0.303 0.100 1.00 0.09 C ATOM 2870 OE1 GLU H 13 -4.957 0.137 -0.883 1.00 0.09 O ATOM 2871 OE2 GLU H 13 -5.045 -0.328 1.219 1.00 0.09 O ATOM 0 H GLU H 13 -8.851 -1.536 -1.473 1.00 0.09 H new ATOM 0 HA GLU H 13 -9.428 -0.677 1.144 1.00 0.09 H new ATOM 0 HB2 GLU H 13 -7.890 0.856 -1.005 1.00 0.09 H new ATOM 0 HB3 GLU H 13 -7.685 1.009 0.729 1.00 0.09 H new ATOM 0 HG2 GLU H 13 -7.178 -1.556 0.717 1.00 0.09 H new ATOM 0 HG3 GLU H 13 -7.019 -1.397 -1.020 1.00 0.09 H new ATOM 2878 N ALA H 14 -10.549 1.396 -1.171 1.00 0.01 N ATOM 2879 CA ALA H 14 -11.516 2.508 -1.361 1.00 0.01 C ATOM 2880 C ALA H 14 -12.940 1.971 -1.226 1.00 0.01 C ATOM 2881 O ALA H 14 -13.846 2.677 -0.837 1.00 0.01 O ATOM 2882 CB ALA H 14 -11.330 3.109 -2.753 1.00 0.01 C ATOM 0 H ALA H 14 -10.081 1.077 -2.019 1.00 0.01 H new ATOM 0 HA ALA H 14 -11.343 3.275 -0.606 1.00 0.01 H new ATOM 0 HB1 ALA H 14 -12.039 3.925 -2.895 1.00 0.01 H new ATOM 0 HB2 ALA H 14 -10.313 3.490 -2.852 1.00 0.01 H new ATOM 0 HB3 ALA H 14 -11.505 2.342 -3.507 1.00 0.01 H new ATOM 2888 N LEU H 15 -13.144 0.725 -1.550 1.00 0.00 N ATOM 2889 CA LEU H 15 -14.509 0.143 -1.448 1.00 0.00 C ATOM 2890 C LEU H 15 -15.023 0.249 -0.017 1.00 0.00 C ATOM 2891 O LEU H 15 -16.003 0.915 0.245 1.00 0.00 O ATOM 2892 CB LEU H 15 -14.471 -1.331 -1.836 1.00 0.00 C ATOM 2893 CG LEU H 15 -14.811 -1.493 -3.317 1.00 0.00 C ATOM 2894 CD1 LEU H 15 -14.554 -2.938 -3.744 1.00 0.00 C ATOM 2895 CD2 LEU H 15 -16.284 -1.158 -3.542 1.00 0.00 C ATOM 0 H LEU H 15 -12.423 0.084 -1.881 1.00 0.00 H new ATOM 0 HA LEU H 15 -15.168 0.694 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU H 15 -13.482 -1.743 -1.635 1.00 0.00 H new ATOM 0 HB3 LEU H 15 -15.180 -1.893 -1.228 1.00 0.00 H new ATOM 0 HG LEU H 15 -14.188 -0.820 -3.906 1.00 0.00 H new ATOM 0 HD11 LEU H 15 -14.796 -3.054 -4.800 1.00 0.00 H new ATOM 0 HD12 LEU H 15 -13.504 -3.184 -3.584 1.00 0.00 H new ATOM 0 HD13 LEU H 15 -15.178 -3.608 -3.153 1.00 0.00 H new ATOM 0 HD21 LEU H 15 -16.526 -1.274 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU H 15 -16.905 -1.832 -2.952 1.00 0.00 H new ATOM 0 HD23 LEU H 15 -16.474 -0.129 -3.237 1.00 0.00 H new ATOM 2907 N TYR H 16 -14.392 -0.426 0.913 1.00 0.00 N ATOM 2908 CA TYR H 16 -14.892 -0.372 2.312 1.00 0.00 C ATOM 2909 C TYR H 16 -14.637 1.010 2.931 1.00 0.00 C ATOM 2910 O TYR H 16 -15.218 1.349 3.944 1.00 0.00 O ATOM 2911 CB TYR H 16 -14.311 -1.540 3.137 1.00 0.00 C ATOM 2912 CG TYR H 16 -12.989 -1.237 3.809 1.00 0.00 C ATOM 2913 CD1 TYR H 16 -11.788 -1.008 3.022 1.00 0.00 C ATOM 2914 CD2 TYR H 16 -12.916 -1.248 5.261 1.00 0.00 C ATOM 2915 CE1 TYR H 16 -10.511 -0.790 3.691 1.00 0.00 C ATOM 2916 CE2 TYR H 16 -11.648 -1.020 5.929 1.00 0.00 C ATOM 2917 CZ TYR H 16 -10.444 -0.795 5.147 1.00 0.00 C ATOM 2918 OH TYR H 16 -9.239 -0.608 5.788 1.00 0.00 O ATOM 0 H TYR H 16 -13.564 -1.003 0.763 1.00 0.00 H new ATOM 0 HA TYR H 16 -15.974 -0.504 2.316 1.00 0.00 H new ATOM 0 HB2 TYR H 16 -15.035 -1.825 3.900 1.00 0.00 H new ATOM 0 HB3 TYR H 16 -14.182 -2.402 2.482 1.00 0.00 H new ATOM 0 HD1 TYR H 16 -11.842 -0.999 1.943 1.00 0.00 H new ATOM 0 HD2 TYR H 16 -13.808 -1.426 5.844 1.00 0.00 H new ATOM 0 HE1 TYR H 16 -9.616 -0.625 3.109 1.00 0.00 H new ATOM 0 HE2 TYR H 16 -11.599 -1.018 7.008 1.00 0.00 H new ATOM 0 HH TYR H 16 -8.989 0.339 5.745 1.00 0.00 H new ATOM 2928 N LEU H 17 -13.835 1.831 2.305 1.00 0.10 N ATOM 2929 CA LEU H 17 -13.628 3.199 2.842 1.00 0.10 C ATOM 2930 C LEU H 17 -14.905 3.988 2.543 1.00 0.10 C ATOM 2931 O LEU H 17 -15.358 4.799 3.325 1.00 0.10 O ATOM 2932 CB LEU H 17 -12.433 3.855 2.150 1.00 0.10 C ATOM 2933 CG LEU H 17 -11.949 5.042 2.982 1.00 0.10 C ATOM 2934 CD1 LEU H 17 -10.420 5.067 2.998 1.00 0.10 C ATOM 2935 CD2 LEU H 17 -12.473 6.339 2.366 1.00 0.10 C ATOM 0 H LEU H 17 -13.320 1.612 1.452 1.00 0.10 H new ATOM 0 HA LEU H 17 -13.424 3.175 3.913 1.00 0.10 H new ATOM 0 HB2 LEU H 17 -11.628 3.131 2.028 1.00 0.10 H new ATOM 0 HB3 LEU H 17 -12.716 4.189 1.152 1.00 0.10 H new ATOM 0 HG LEU H 17 -12.320 4.946 4.003 1.00 0.10 H new ATOM 0 HD11 LEU H 17 -10.076 5.914 3.592 1.00 0.10 H new ATOM 0 HD12 LEU H 17 -10.046 4.141 3.435 1.00 0.10 H new ATOM 0 HD13 LEU H 17 -10.047 5.163 1.978 1.00 0.10 H new ATOM 0 HD21 LEU H 17 -12.129 7.188 2.958 1.00 0.10 H new ATOM 0 HD22 LEU H 17 -12.101 6.433 1.346 1.00 0.10 H new ATOM 0 HD23 LEU H 17 -13.563 6.322 2.355 1.00 0.10 H new ATOM 2947 N VAL H 18 -15.502 3.719 1.410 1.00 0.14 N ATOM 2948 CA VAL H 18 -16.767 4.406 1.036 1.00 0.14 C ATOM 2949 C VAL H 18 -17.914 3.779 1.830 1.00 0.14 C ATOM 2950 O VAL H 18 -18.845 4.447 2.232 1.00 0.14 O ATOM 2951 CB VAL H 18 -17.018 4.218 -0.465 1.00 0.14 C ATOM 2952 CG1 VAL H 18 -18.359 4.843 -0.856 1.00 0.14 C ATOM 2953 CG2 VAL H 18 -15.898 4.897 -1.254 1.00 0.14 C ATOM 0 H VAL H 18 -15.161 3.046 0.724 1.00 0.14 H new ATOM 0 HA VAL H 18 -16.699 5.471 1.259 1.00 0.14 H new ATOM 0 HB VAL H 18 -17.040 3.152 -0.692 1.00 0.14 H new ATOM 0 HG11 VAL H 18 -18.528 4.704 -1.924 1.00 0.14 H new ATOM 0 HG12 VAL H 18 -19.161 4.362 -0.296 1.00 0.14 H new ATOM 0 HG13 VAL H 18 -18.344 5.908 -0.627 1.00 0.14 H new ATOM 0 HG21 VAL H 18 -16.073 4.765 -2.322 1.00 0.14 H new ATOM 0 HG22 VAL H 18 -15.880 5.961 -1.018 1.00 0.14 H new ATOM 0 HG23 VAL H 18 -14.941 4.450 -0.986 1.00 0.14 H new ATOM 2963 N CYS H 19 -17.849 2.498 2.065 1.00 0.06 N ATOM 2964 CA CYS H 19 -18.927 1.825 2.841 1.00 0.06 C ATOM 2965 C CYS H 19 -18.796 2.192 4.320 1.00 0.06 C ATOM 2966 O CYS H 19 -19.746 2.121 5.072 1.00 0.06 O ATOM 2967 CB CYS H 19 -18.797 0.311 2.684 1.00 0.06 C ATOM 2968 SG CYS H 19 -19.414 -0.185 1.058 1.00 0.06 S ATOM 0 H CYS H 19 -17.094 1.887 1.752 1.00 0.06 H new ATOM 0 HA CYS H 19 -19.899 2.150 2.468 1.00 0.06 H new ATOM 0 HB2 CYS H 19 -17.755 0.012 2.796 1.00 0.06 H new ATOM 0 HB3 CYS H 19 -19.360 -0.196 3.468 1.00 0.06 H new ATOM 2973 N GLY H 20 -17.627 2.584 4.747 1.00 0.13 N ATOM 2974 CA GLY H 20 -17.444 2.953 6.176 1.00 0.13 C ATOM 2975 C GLY H 20 -17.449 1.690 7.035 1.00 0.13 C ATOM 2976 O GLY H 20 -16.582 0.848 6.925 1.00 0.13 O ATOM 0 H GLY H 20 -16.792 2.664 4.167 1.00 0.13 H new ATOM 0 HA2 GLY H 20 -16.504 3.490 6.306 1.00 0.13 H new ATOM 0 HA3 GLY H 20 -18.242 3.625 6.494 1.00 0.13 H new ATOM 2980 N GLU H 21 -18.419 1.554 7.892 1.00 0.48 N ATOM 2981 CA GLU H 21 -18.478 0.345 8.759 1.00 0.48 C ATOM 2982 C GLU H 21 -19.153 -0.802 8.004 1.00 0.48 C ATOM 2983 O GLU H 21 -18.976 -1.959 8.331 1.00 0.48 O ATOM 2984 CB GLU H 21 -19.280 0.671 10.020 1.00 0.48 C ATOM 2985 CG GLU H 21 -18.714 1.937 10.668 1.00 0.48 C ATOM 2986 CD GLU H 21 -19.058 1.948 12.159 1.00 0.48 C ATOM 2987 OE1 GLU H 21 -18.776 0.961 12.821 1.00 0.48 O ATOM 2988 OE2 GLU H 21 -19.599 2.944 12.615 1.00 0.48 O ATOM 0 H GLU H 21 -19.173 2.226 8.031 1.00 0.48 H new ATOM 0 HA GLU H 21 -17.467 0.044 9.033 1.00 0.48 H new ATOM 0 HB2 GLU H 21 -20.331 0.816 9.769 1.00 0.48 H new ATOM 0 HB3 GLU H 21 -19.232 -0.162 10.721 1.00 0.48 H new ATOM 0 HG2 GLU H 21 -17.633 1.974 10.534 1.00 0.48 H new ATOM 0 HG3 GLU H 21 -19.126 2.822 10.183 1.00 0.48 H new ATOM 2995 N ARG H 22 -19.926 -0.496 6.998 1.00 0.29 N ATOM 2996 CA ARG H 22 -20.610 -1.572 6.229 1.00 0.29 C ATOM 2997 C ARG H 22 -19.568 -2.516 5.633 1.00 0.29 C ATOM 2998 O ARG H 22 -18.377 -2.312 5.771 1.00 0.29 O ATOM 2999 CB ARG H 22 -21.430 -0.945 5.103 1.00 0.29 C ATOM 3000 CG ARG H 22 -22.759 -0.443 5.662 1.00 0.29 C ATOM 3001 CD ARG H 22 -23.767 -0.303 4.524 1.00 0.29 C ATOM 3002 NE ARG H 22 -23.450 0.917 3.735 1.00 0.29 N ATOM 3003 CZ ARG H 22 -24.321 1.384 2.885 1.00 0.29 C ATOM 3004 NH1 ARG H 22 -24.753 0.627 1.912 1.00 0.29 N ATOM 3005 NH2 ARG H 22 -24.761 2.608 3.008 1.00 0.29 N ATOM 0 H ARG H 22 -20.113 0.454 6.676 1.00 0.29 H new ATOM 0 HA ARG H 22 -21.268 -2.132 6.893 1.00 0.29 H new ATOM 0 HB2 ARG H 22 -20.878 -0.120 4.652 1.00 0.29 H new ATOM 0 HB3 ARG H 22 -21.608 -1.678 4.316 1.00 0.29 H new ATOM 0 HG2 ARG H 22 -23.136 -1.137 6.413 1.00 0.29 H new ATOM 0 HG3 ARG H 22 -22.618 0.517 6.158 1.00 0.29 H new ATOM 0 HD2 ARG H 22 -23.734 -1.184 3.883 1.00 0.29 H new ATOM 0 HD3 ARG H 22 -24.779 -0.238 4.925 1.00 0.29 H new ATOM 0 HE ARG H 22 -22.553 1.387 3.859 1.00 0.29 H new ATOM 0 HH11 ARG H 22 -24.409 -0.329 1.818 1.00 0.29 H new ATOM 0 HH12 ARG H 22 -25.435 0.991 1.246 1.00 0.29 H new ATOM 0 HH21 ARG H 22 -24.423 3.197 3.769 1.00 0.29 H new ATOM 0 HH22 ARG H 22 -25.443 2.974 2.343 1.00 0.29 H new ATOM 3019 N GLY H 23 -20.005 -3.550 4.970 1.00 0.01 N ATOM 3020 CA GLY H 23 -19.043 -4.509 4.361 1.00 0.01 C ATOM 3021 C GLY H 23 -19.346 -4.662 2.873 1.00 0.01 C ATOM 3022 O GLY H 23 -20.222 -4.010 2.338 1.00 0.01 O ATOM 0 H GLY H 23 -20.990 -3.772 4.824 1.00 0.01 H new ATOM 0 HA2 GLY H 23 -18.022 -4.153 4.500 1.00 0.01 H new ATOM 0 HA3 GLY H 23 -19.114 -5.476 4.858 1.00 0.01 H new ATOM 3026 N PHE H 24 -18.631 -5.520 2.195 1.00 0.00 N ATOM 3027 CA PHE H 24 -18.888 -5.707 0.742 1.00 0.00 C ATOM 3028 C PHE H 24 -18.353 -7.070 0.292 1.00 0.00 C ATOM 3029 O PHE H 24 -17.552 -7.687 0.962 1.00 0.00 O ATOM 3030 CB PHE H 24 -18.195 -4.582 -0.046 1.00 0.00 C ATOM 3031 CG PHE H 24 -16.691 -4.675 0.113 1.00 0.00 C ATOM 3032 CD1 PHE H 24 -16.081 -4.485 1.418 1.00 0.00 C ATOM 3033 CD2 PHE H 24 -15.860 -4.967 -1.045 1.00 0.00 C ATOM 3034 CE1 PHE H 24 -14.637 -4.586 1.566 1.00 0.00 C ATOM 3035 CE2 PHE H 24 -14.415 -5.065 -0.895 1.00 0.00 C ATOM 3036 CZ PHE H 24 -13.805 -4.875 0.410 1.00 0.00 C ATOM 0 H PHE H 24 -17.884 -6.096 2.584 1.00 0.00 H new ATOM 0 HA PHE H 24 -19.961 -5.671 0.553 1.00 0.00 H new ATOM 0 HB2 PHE H 24 -18.461 -4.651 -1.101 1.00 0.00 H new ATOM 0 HB3 PHE H 24 -18.545 -3.612 0.308 1.00 0.00 H new ATOM 0 HD1 PHE H 24 -16.699 -4.269 2.277 1.00 0.00 H new ATOM 0 HD2 PHE H 24 -16.314 -5.111 -2.014 1.00 0.00 H new ATOM 0 HE1 PHE H 24 -14.183 -4.446 2.536 1.00 0.00 H new ATOM 0 HE2 PHE H 24 -13.796 -5.279 -1.754 1.00 0.00 H new ATOM 0 HZ PHE H 24 -12.733 -4.949 0.521 1.00 0.00 H new ATOM 3046 N PHE H 25 -18.779 -7.533 -0.847 1.00 0.34 N ATOM 3047 CA PHE H 25 -18.278 -8.842 -1.347 1.00 0.34 C ATOM 3048 C PHE H 25 -17.359 -8.591 -2.541 1.00 0.34 C ATOM 3049 O PHE H 25 -17.741 -7.973 -3.512 1.00 0.34 O ATOM 3050 CB PHE H 25 -19.447 -9.749 -1.768 1.00 0.34 C ATOM 3051 CG PHE H 25 -20.508 -8.953 -2.489 1.00 0.34 C ATOM 3052 CD1 PHE H 25 -20.406 -8.731 -3.923 1.00 0.34 C ATOM 3053 CD2 PHE H 25 -21.632 -8.406 -1.745 1.00 0.34 C ATOM 3054 CE1 PHE H 25 -21.431 -7.962 -4.613 1.00 0.34 C ATOM 3055 CE2 PHE H 25 -22.655 -7.638 -2.435 1.00 0.34 C ATOM 3056 CZ PHE H 25 -22.555 -7.415 -3.870 1.00 0.34 C ATOM 0 H PHE H 25 -19.451 -7.063 -1.453 1.00 0.34 H new ATOM 0 HA PHE H 25 -17.730 -9.345 -0.550 1.00 0.34 H new ATOM 0 HB2 PHE H 25 -19.081 -10.546 -2.415 1.00 0.34 H new ATOM 0 HB3 PHE H 25 -19.879 -10.226 -0.888 1.00 0.34 H new ATOM 0 HD1 PHE H 25 -19.571 -9.136 -4.475 1.00 0.34 H new ATOM 0 HD2 PHE H 25 -21.706 -8.571 -0.680 1.00 0.34 H new ATOM 0 HE1 PHE H 25 -21.357 -7.797 -5.678 1.00 0.34 H new ATOM 0 HE2 PHE H 25 -23.490 -7.233 -1.883 1.00 0.34 H new ATOM 0 HZ PHE H 25 -23.315 -6.844 -4.382 1.00 0.34 H new ATOM 3066 N TYR H 26 -16.143 -9.052 -2.466 1.00 0.00 N ATOM 3067 CA TYR H 26 -15.190 -8.828 -3.587 1.00 0.00 C ATOM 3068 C TYR H 26 -14.921 -10.148 -4.311 1.00 0.00 C ATOM 3069 O TYR H 26 -14.363 -11.072 -3.753 1.00 0.00 O ATOM 3070 CB TYR H 26 -13.877 -8.283 -3.027 1.00 0.00 C ATOM 3071 CG TYR H 26 -13.007 -7.803 -4.162 1.00 0.00 C ATOM 3072 CD1 TYR H 26 -13.256 -6.506 -4.769 1.00 0.00 C ATOM 3073 CD2 TYR H 26 -11.920 -8.637 -4.648 1.00 0.00 C ATOM 3074 CE1 TYR H 26 -12.418 -6.042 -5.863 1.00 0.00 C ATOM 3075 CE2 TYR H 26 -11.081 -8.174 -5.742 1.00 0.00 C ATOM 3076 CZ TYR H 26 -11.331 -6.877 -6.350 1.00 0.00 C ATOM 3077 OH TYR H 26 -10.536 -6.439 -7.390 1.00 0.00 O ATOM 0 H TYR H 26 -15.767 -9.575 -1.675 1.00 0.00 H new ATOM 0 HA TYR H 26 -15.619 -8.114 -4.290 1.00 0.00 H new ATOM 0 HB2 TYR H 26 -14.076 -7.464 -2.336 1.00 0.00 H new ATOM 0 HB3 TYR H 26 -13.361 -9.059 -2.462 1.00 0.00 H new ATOM 0 HD1 TYR H 26 -14.064 -5.887 -4.407 1.00 0.00 H new ATOM 0 HD2 TYR H 26 -11.735 -9.601 -4.197 1.00 0.00 H new ATOM 0 HE1 TYR H 26 -12.603 -5.078 -6.314 1.00 0.00 H new ATOM 0 HE2 TYR H 26 -10.273 -8.793 -6.103 1.00 0.00 H new ATOM 0 HH TYR H 26 -10.146 -7.211 -7.851 1.00 0.00 H new ATOM 3087 N THR H 27 -15.305 -10.243 -5.553 1.00 0.24 N ATOM 3088 CA THR H 27 -15.061 -11.500 -6.313 1.00 0.24 C ATOM 3089 C THR H 27 -14.291 -11.175 -7.609 1.00 0.24 C ATOM 3090 O THR H 27 -14.899 -10.771 -8.579 1.00 0.24 O ATOM 3091 CB THR H 27 -16.399 -12.152 -6.666 1.00 0.24 C ATOM 3092 OG1 THR H 27 -17.229 -11.200 -7.315 1.00 0.24 O ATOM 3093 CG2 THR H 27 -17.084 -12.642 -5.390 1.00 0.24 C ATOM 0 H THR H 27 -15.777 -9.505 -6.075 1.00 0.24 H new ATOM 0 HA THR H 27 -14.473 -12.185 -5.702 1.00 0.24 H new ATOM 0 HB THR H 27 -16.227 -12.999 -7.330 1.00 0.24 H new ATOM 0 HG1 THR H 27 -16.698 -10.691 -7.963 1.00 0.24 H new ATOM 0 HG21 THR H 27 -18.037 -13.106 -5.644 1.00 0.24 H new ATOM 0 HG22 THR H 27 -16.446 -13.372 -4.892 1.00 0.24 H new ATOM 0 HG23 THR H 27 -17.258 -11.798 -4.723 1.00 0.24 H new ATOM 3101 N PRO H 28 -12.971 -11.355 -7.611 1.00 0.04 N ATOM 3102 CA PRO H 28 -12.161 -11.069 -8.807 1.00 0.04 C ATOM 3103 C PRO H 28 -12.283 -12.223 -9.805 1.00 0.04 C ATOM 3104 O PRO H 28 -11.310 -12.860 -10.156 1.00 0.04 O ATOM 3105 CB PRO H 28 -10.732 -10.966 -8.268 1.00 0.04 C ATOM 3106 CG PRO H 28 -10.707 -11.746 -6.933 1.00 0.04 C ATOM 3107 CD PRO H 28 -12.168 -11.848 -6.455 1.00 0.04 C ATOM 0 HA PRO H 28 -12.472 -10.166 -9.332 1.00 0.04 H new ATOM 0 HB2 PRO H 28 -10.019 -11.388 -8.977 1.00 0.04 H new ATOM 0 HB3 PRO H 28 -10.450 -9.924 -8.114 1.00 0.04 H new ATOM 0 HG2 PRO H 28 -10.275 -12.737 -7.071 1.00 0.04 H new ATOM 0 HG3 PRO H 28 -10.093 -11.231 -6.195 1.00 0.04 H new ATOM 0 HD2 PRO H 28 -12.431 -12.874 -6.197 1.00 0.04 H new ATOM 0 HD3 PRO H 28 -12.338 -11.242 -5.565 1.00 0.04 H new ATOM 3115 N LYS H 29 -13.475 -12.501 -10.255 1.00 0.41 N ATOM 3116 CA LYS H 29 -13.661 -13.617 -11.219 1.00 0.41 C ATOM 3117 C LYS H 29 -14.991 -13.439 -11.953 1.00 0.41 C ATOM 3118 O LYS H 29 -15.957 -14.127 -11.682 1.00 0.41 O ATOM 3119 CB LYS H 29 -13.676 -14.944 -10.458 1.00 0.41 C ATOM 3120 CG LYS H 29 -13.835 -16.099 -11.449 1.00 0.41 C ATOM 3121 CD LYS H 29 -13.808 -17.427 -10.689 1.00 0.41 C ATOM 3122 CE LYS H 29 -15.125 -17.607 -9.930 1.00 0.41 C ATOM 3123 NZ LYS H 29 -14.865 -18.303 -8.636 1.00 0.41 N ATOM 0 H LYS H 29 -14.327 -12.003 -9.996 1.00 0.41 H new ATOM 0 HA LYS H 29 -12.844 -13.617 -11.941 1.00 0.41 H new ATOM 0 HB2 LYS H 29 -12.752 -15.061 -9.892 1.00 0.41 H new ATOM 0 HB3 LYS H 29 -14.494 -14.953 -9.738 1.00 0.41 H new ATOM 0 HG2 LYS H 29 -14.773 -15.998 -11.994 1.00 0.41 H new ATOM 0 HG3 LYS H 29 -13.033 -16.073 -12.187 1.00 0.41 H new ATOM 0 HD2 LYS H 29 -13.661 -18.253 -11.384 1.00 0.41 H new ATOM 0 HD3 LYS H 29 -12.969 -17.443 -9.993 1.00 0.41 H new ATOM 0 HE2 LYS H 29 -15.586 -16.637 -9.746 1.00 0.41 H new ATOM 0 HE3 LYS H 29 -15.827 -18.185 -10.531 1.00 0.41 H new ATOM 0 HZ1 LYS H 29 -15.760 -18.425 -8.121 1.00 0.41 H new ATOM 0 HZ2 LYS H 29 -14.443 -19.235 -8.822 1.00 0.41 H new ATOM 0 HZ3 LYS H 29 -14.210 -17.735 -8.062 1.00 0.41 H new ATOM 3137 N THR H 30 -15.049 -12.525 -12.882 1.00 0.62 N ATOM 3138 CA THR H 30 -16.318 -12.309 -13.632 1.00 0.62 C ATOM 3139 C THR H 30 -16.667 -13.577 -14.415 1.00 0.62 C ATOM 3140 O THR H 30 -17.790 -14.040 -14.284 1.00 0.62 O ATOM 3141 CB THR H 30 -16.147 -11.141 -14.606 1.00 0.62 C ATOM 3142 OG1 THR H 30 -15.477 -10.073 -13.947 1.00 0.62 O ATOM 3143 CG2 THR H 30 -17.521 -10.668 -15.087 1.00 0.62 C ATOM 3144 OXT THR H 30 -15.805 -14.063 -15.132 1.00 0.62 O ATOM 0 H THR H 30 -14.274 -11.920 -13.154 1.00 0.62 H new ATOM 0 HA THR H 30 -17.119 -12.080 -12.930 1.00 0.62 H new ATOM 0 HB THR H 30 -15.559 -11.465 -15.464 1.00 0.62 H new ATOM 0 HG1 THR H 30 -15.365 -9.324 -14.569 1.00 0.62 H new ATOM 0 HG21 THR H 30 -17.397 -9.836 -15.780 1.00 0.62 H new ATOM 0 HG22 THR H 30 -18.032 -11.488 -15.591 1.00 0.62 H new ATOM 0 HG23 THR H 30 -18.114 -10.342 -14.232 1.00 0.62 H new TER 3152 THR H 30 ATOM 3153 N GLY I 1 17.049 -7.291 14.024 1.00 0.29 N ATOM 3154 CA GLY I 1 18.269 -6.783 13.333 1.00 0.29 C ATOM 3155 C GLY I 1 17.894 -5.602 12.435 1.00 0.29 C ATOM 3156 O GLY I 1 18.524 -4.563 12.462 1.00 0.29 O ATOM 0 H1 GLY I 1 17.237 -7.376 15.043 1.00 0.29 H new ATOM 0 H2 GLY I 1 16.262 -6.628 13.871 1.00 0.29 H new ATOM 0 H3 GLY I 1 16.795 -8.224 13.640 1.00 0.29 H new ATOM 0 HA2 GLY I 1 19.013 -6.473 14.067 1.00 0.29 H new ATOM 0 HA3 GLY I 1 18.720 -7.577 12.738 1.00 0.29 H new ATOM 3162 N ILE I 2 16.870 -5.751 11.640 1.00 0.05 N ATOM 3163 CA ILE I 2 16.456 -4.634 10.746 1.00 0.05 C ATOM 3164 C ILE I 2 14.956 -4.400 10.894 1.00 0.05 C ATOM 3165 O ILE I 2 14.493 -3.278 10.951 1.00 0.05 O ATOM 3166 CB ILE I 2 16.773 -5.001 9.293 1.00 0.05 C ATOM 3167 CG1 ILE I 2 16.320 -3.868 8.365 1.00 0.05 C ATOM 3168 CG2 ILE I 2 16.036 -6.287 8.921 1.00 0.05 C ATOM 3169 CD1 ILE I 2 16.666 -4.224 6.918 1.00 0.05 C ATOM 0 H ILE I 2 16.303 -6.596 11.571 1.00 0.05 H new ATOM 0 HA ILE I 2 16.996 -3.727 11.018 1.00 0.05 H new ATOM 0 HB ILE I 2 17.847 -5.151 9.184 1.00 0.05 H new ATOM 0 HG12 ILE I 2 15.246 -3.709 8.465 1.00 0.05 H new ATOM 0 HG13 ILE I 2 16.808 -2.935 8.648 1.00 0.05 H new ATOM 0 HG21 ILE I 2 16.261 -6.549 7.887 1.00 0.05 H new ATOM 0 HG22 ILE I 2 16.359 -7.094 9.578 1.00 0.05 H new ATOM 0 HG23 ILE I 2 14.962 -6.136 9.032 1.00 0.05 H new ATOM 0 HD11 ILE I 2 16.344 -3.418 6.258 1.00 0.05 H new ATOM 0 HD12 ILE I 2 17.743 -4.361 6.825 1.00 0.05 H new ATOM 0 HD13 ILE I 2 16.158 -5.147 6.639 1.00 0.05 H new ATOM 3181 N VAL I 3 14.194 -5.450 10.951 1.00 0.01 N ATOM 3182 CA VAL I 3 12.721 -5.287 11.086 1.00 0.01 C ATOM 3183 C VAL I 3 12.406 -4.664 12.444 1.00 0.01 C ATOM 3184 O VAL I 3 11.862 -3.581 12.533 1.00 0.01 O ATOM 3185 CB VAL I 3 12.025 -6.649 10.983 1.00 0.01 C ATOM 3186 CG1 VAL I 3 10.554 -6.424 10.655 1.00 0.01 C ATOM 3187 CG2 VAL I 3 12.657 -7.490 9.865 1.00 0.01 C ATOM 0 H VAL I 3 14.524 -6.414 10.910 1.00 0.01 H new ATOM 0 HA VAL I 3 12.360 -4.641 10.285 1.00 0.01 H new ATOM 0 HB VAL I 3 12.133 -7.177 11.931 1.00 0.01 H new ATOM 0 HG11 VAL I 3 10.047 -7.386 10.579 1.00 0.01 H new ATOM 0 HG12 VAL I 3 10.092 -5.832 11.445 1.00 0.01 H new ATOM 0 HG13 VAL I 3 10.470 -5.893 9.707 1.00 0.01 H new ATOM 0 HG21 VAL I 3 12.152 -8.454 9.805 1.00 0.01 H new ATOM 0 HG22 VAL I 3 12.555 -6.967 8.914 1.00 0.01 H new ATOM 0 HG23 VAL I 3 13.714 -7.647 10.081 1.00 0.01 H new ATOM 3197 N GLU I 4 12.748 -5.337 13.500 1.00 0.46 N ATOM 3198 CA GLU I 4 12.476 -4.790 14.858 1.00 0.46 C ATOM 3199 C GLU I 4 13.170 -3.433 15.034 1.00 0.46 C ATOM 3200 O GLU I 4 12.846 -2.674 15.924 1.00 0.46 O ATOM 3201 CB GLU I 4 13.012 -5.768 15.902 1.00 0.46 C ATOM 3202 CG GLU I 4 12.097 -5.758 17.127 1.00 0.46 C ATOM 3203 CD GLU I 4 12.950 -5.824 18.395 1.00 0.46 C ATOM 3204 OE1 GLU I 4 13.941 -6.540 18.382 1.00 0.46 O ATOM 3205 OE2 GLU I 4 12.598 -5.157 19.357 1.00 0.46 O ATOM 0 H GLU I 4 13.207 -6.248 13.484 1.00 0.46 H new ATOM 0 HA GLU I 4 11.401 -4.656 14.982 1.00 0.46 H new ATOM 0 HB2 GLU I 4 13.064 -6.772 15.482 1.00 0.46 H new ATOM 0 HB3 GLU I 4 14.026 -5.490 16.190 1.00 0.46 H new ATOM 0 HG2 GLU I 4 11.487 -4.855 17.132 1.00 0.46 H new ATOM 0 HG3 GLU I 4 11.412 -6.605 17.091 1.00 0.46 H new ATOM 3212 N GLN I 5 14.134 -3.126 14.210 1.00 0.24 N ATOM 3213 CA GLN I 5 14.853 -1.830 14.353 1.00 0.24 C ATOM 3214 C GLN I 5 14.118 -0.721 13.590 1.00 0.24 C ATOM 3215 O GLN I 5 14.102 0.420 14.006 1.00 0.24 O ATOM 3216 CB GLN I 5 16.265 -1.996 13.780 1.00 0.24 C ATOM 3217 CG GLN I 5 17.028 -0.673 13.871 1.00 0.24 C ATOM 3218 CD GLN I 5 18.359 -0.810 13.134 1.00 0.24 C ATOM 3219 OE1 GLN I 5 18.673 0.054 12.207 1.00 0.24 O flip ATOM 3220 NE2 GLN I 5 19.123 -1.713 13.403 1.00 0.24 N flip ATOM 0 H GLN I 5 14.455 -3.718 13.443 1.00 0.24 H new ATOM 0 HA GLN I 5 14.898 -1.552 15.406 1.00 0.24 H new ATOM 0 HB2 GLN I 5 16.800 -2.772 14.328 1.00 0.24 H new ATOM 0 HB3 GLN I 5 16.208 -2.322 12.741 1.00 0.24 H new ATOM 0 HG2 GLN I 5 16.438 0.132 13.434 1.00 0.24 H new ATOM 0 HG3 GLN I 5 17.202 -0.410 14.915 1.00 0.24 H new ATOM 0 HE21 GLN I 5 18.879 -2.389 14.127 1.00 0.24 H new ATOM 0 HE22 GLN I 5 20.009 -1.796 12.905 1.00 0.24 H new ATOM 3229 N CYS I 6 13.531 -1.033 12.468 1.00 0.01 N ATOM 3230 CA CYS I 6 12.832 0.025 11.683 1.00 0.01 C ATOM 3231 C CYS I 6 11.319 -0.079 11.853 1.00 0.01 C ATOM 3232 O CYS I 6 10.611 0.895 11.676 1.00 0.01 O ATOM 3233 CB CYS I 6 13.195 -0.121 10.206 1.00 0.01 C ATOM 3234 SG CYS I 6 14.998 -0.095 10.019 1.00 0.01 S ATOM 0 H CYS I 6 13.504 -1.968 12.062 1.00 0.01 H new ATOM 0 HA CYS I 6 13.151 1.000 12.050 1.00 0.01 H new ATOM 0 HB2 CYS I 6 12.792 -1.054 9.812 1.00 0.01 H new ATOM 0 HB3 CYS I 6 12.747 0.688 9.629 1.00 0.01 H new ATOM 3239 N CYS I 7 10.811 -1.229 12.200 1.00 0.07 N ATOM 3240 CA CYS I 7 9.338 -1.350 12.386 1.00 0.07 C ATOM 3241 C CYS I 7 8.916 -0.725 13.730 1.00 0.07 C ATOM 3242 O CYS I 7 7.746 -0.688 14.053 1.00 0.07 O ATOM 3243 CB CYS I 7 8.931 -2.822 12.352 1.00 0.07 C ATOM 3244 SG CYS I 7 7.127 -2.943 12.417 1.00 0.07 S ATOM 0 H CYS I 7 11.346 -2.082 12.361 1.00 0.07 H new ATOM 0 HA CYS I 7 8.837 -0.818 11.577 1.00 0.07 H new ATOM 0 HB2 CYS I 7 9.306 -3.294 11.444 1.00 0.07 H new ATOM 0 HB3 CYS I 7 9.374 -3.353 13.195 1.00 0.07 H new ATOM 3249 N THR I 8 9.842 -0.222 14.517 1.00 0.25 N ATOM 3250 CA THR I 8 9.451 0.394 15.814 1.00 0.25 C ATOM 3251 C THR I 8 9.103 1.867 15.589 1.00 0.25 C ATOM 3252 O THR I 8 8.062 2.338 16.000 1.00 0.25 O ATOM 3253 CB THR I 8 10.616 0.290 16.798 1.00 0.25 C ATOM 3254 OG1 THR I 8 11.816 0.687 16.151 1.00 0.25 O ATOM 3255 CG2 THR I 8 10.751 -1.153 17.283 1.00 0.25 C ATOM 0 H THR I 8 10.841 -0.214 14.313 1.00 0.25 H new ATOM 0 HA THR I 8 8.585 -0.128 16.221 1.00 0.25 H new ATOM 0 HB THR I 8 10.429 0.941 17.652 1.00 0.25 H new ATOM 0 HG1 THR I 8 12.564 0.622 16.781 1.00 0.25 H new ATOM 0 HG21 THR I 8 11.582 -1.225 17.984 1.00 0.25 H new ATOM 0 HG22 THR I 8 9.830 -1.458 17.780 1.00 0.25 H new ATOM 0 HG23 THR I 8 10.937 -1.807 16.431 1.00 0.25 H new ATOM 3263 N SER I 9 9.965 2.599 14.937 1.00 0.29 N ATOM 3264 CA SER I 9 9.678 4.038 14.686 1.00 0.29 C ATOM 3265 C SER I 9 10.444 4.507 13.448 1.00 0.29 C ATOM 3266 O SER I 9 10.916 5.623 13.392 1.00 0.29 O ATOM 3267 CB SER I 9 10.112 4.860 15.895 1.00 0.29 C ATOM 3268 OG SER I 9 9.530 4.308 17.068 1.00 0.29 O ATOM 0 H SER I 9 10.854 2.262 14.568 1.00 0.29 H new ATOM 0 HA SER I 9 8.609 4.170 14.520 1.00 0.29 H new ATOM 0 HB2 SER I 9 11.199 4.860 15.979 1.00 0.29 H new ATOM 0 HB3 SER I 9 9.802 5.898 15.774 1.00 0.29 H new ATOM 0 HG SER I 9 8.715 3.820 16.830 1.00 0.29 H new ATOM 3274 N ILE I 10 10.554 3.659 12.458 1.00 0.10 N ATOM 3275 CA ILE I 10 11.270 4.028 11.199 1.00 0.10 C ATOM 3276 C ILE I 10 12.760 4.290 11.480 1.00 0.10 C ATOM 3277 O ILE I 10 13.132 4.901 12.461 1.00 0.10 O ATOM 3278 CB ILE I 10 10.575 5.255 10.558 1.00 0.10 C ATOM 3279 CG1 ILE I 10 9.229 4.798 9.986 1.00 0.10 C ATOM 3280 CG2 ILE I 10 11.413 5.848 9.412 1.00 0.10 C ATOM 3281 CD1 ILE I 10 8.157 4.867 11.072 1.00 0.10 C ATOM 0 H ILE I 10 10.173 2.713 12.469 1.00 0.10 H new ATOM 0 HA ILE I 10 11.223 3.200 10.492 1.00 0.10 H new ATOM 0 HB ILE I 10 10.450 6.021 11.323 1.00 0.10 H new ATOM 0 HG12 ILE I 10 8.948 5.430 9.143 1.00 0.10 H new ATOM 0 HG13 ILE I 10 9.311 3.779 9.607 1.00 0.10 H new ATOM 0 HG21 ILE I 10 10.893 6.707 8.987 1.00 0.10 H new ATOM 0 HG22 ILE I 10 12.383 6.165 9.796 1.00 0.10 H new ATOM 0 HG23 ILE I 10 11.558 5.093 8.639 1.00 0.10 H new ATOM 0 HD11 ILE I 10 7.201 4.541 10.661 1.00 0.10 H new ATOM 0 HD12 ILE I 10 8.436 4.217 11.901 1.00 0.10 H new ATOM 0 HD13 ILE I 10 8.067 5.893 11.430 1.00 0.10 H new ATOM 3293 N CYS I 11 13.603 3.825 10.591 1.00 0.05 N ATOM 3294 CA CYS I 11 15.073 4.023 10.741 1.00 0.05 C ATOM 3295 C CYS I 11 15.492 5.258 9.945 1.00 0.05 C ATOM 3296 O CYS I 11 14.704 5.838 9.224 1.00 0.05 O ATOM 3297 CB CYS I 11 15.814 2.810 10.169 1.00 0.05 C ATOM 3298 SG CYS I 11 15.615 1.381 11.257 1.00 0.05 S ATOM 0 H CYS I 11 13.327 3.309 9.756 1.00 0.05 H new ATOM 0 HA CYS I 11 15.315 4.146 11.797 1.00 0.05 H new ATOM 0 HB2 CYS I 11 15.430 2.576 9.176 1.00 0.05 H new ATOM 0 HB3 CYS I 11 16.873 3.043 10.054 1.00 0.05 H new ATOM 3303 N SER I 12 16.731 5.656 10.052 1.00 0.27 N ATOM 3304 CA SER I 12 17.198 6.845 9.286 1.00 0.27 C ATOM 3305 C SER I 12 17.573 6.413 7.868 1.00 0.27 C ATOM 3306 O SER I 12 17.733 5.241 7.588 1.00 0.27 O ATOM 3307 CB SER I 12 18.420 7.455 9.972 1.00 0.27 C ATOM 3308 OG SER I 12 18.114 7.707 11.338 1.00 0.27 O ATOM 0 H SER I 12 17.438 5.210 10.636 1.00 0.27 H new ATOM 0 HA SER I 12 16.401 7.588 9.247 1.00 0.27 H new ATOM 0 HB2 SER I 12 19.270 6.777 9.897 1.00 0.27 H new ATOM 0 HB3 SER I 12 18.706 8.382 9.474 1.00 0.27 H new ATOM 0 HG SER I 12 18.896 8.097 11.782 1.00 0.27 H new ATOM 3314 N LEU I 13 17.708 7.348 6.973 1.00 0.30 N ATOM 3315 CA LEU I 13 18.063 6.998 5.569 1.00 0.30 C ATOM 3316 C LEU I 13 19.397 6.243 5.529 1.00 0.30 C ATOM 3317 O LEU I 13 19.554 5.290 4.792 1.00 0.30 O ATOM 3318 CB LEU I 13 18.185 8.281 4.746 1.00 0.30 C ATOM 3319 CG LEU I 13 18.209 7.931 3.259 1.00 0.30 C ATOM 3320 CD1 LEU I 13 17.426 8.984 2.472 1.00 0.30 C ATOM 3321 CD2 LEU I 13 19.657 7.902 2.766 1.00 0.30 C ATOM 0 H LEU I 13 17.588 8.345 7.153 1.00 0.30 H new ATOM 0 HA LEU I 13 17.283 6.360 5.154 1.00 0.30 H new ATOM 0 HB2 LEU I 13 17.348 8.945 4.961 1.00 0.30 H new ATOM 0 HB3 LEU I 13 19.094 8.816 5.019 1.00 0.30 H new ATOM 0 HG LEU I 13 17.753 6.952 3.110 1.00 0.30 H new ATOM 0 HD11 LEU I 13 17.444 8.733 1.411 1.00 0.30 H new ATOM 0 HD12 LEU I 13 16.394 9.007 2.822 1.00 0.30 H new ATOM 0 HD13 LEU I 13 17.882 9.963 2.621 1.00 0.30 H new ATOM 0 HD21 LEU I 13 19.675 7.652 1.705 1.00 0.30 H new ATOM 0 HD22 LEU I 13 20.112 8.881 2.916 1.00 0.30 H new ATOM 0 HD23 LEU I 13 20.217 7.152 3.325 1.00 0.30 H new ATOM 3333 N TYR I 14 20.361 6.664 6.300 1.00 0.51 N ATOM 3334 CA TYR I 14 21.682 5.970 6.284 1.00 0.51 C ATOM 3335 C TYR I 14 21.550 4.575 6.889 1.00 0.51 C ATOM 3336 O TYR I 14 22.156 3.629 6.424 1.00 0.51 O ATOM 3337 CB TYR I 14 22.695 6.778 7.096 1.00 0.51 C ATOM 3338 CG TYR I 14 22.856 8.136 6.465 1.00 0.51 C ATOM 3339 CD1 TYR I 14 23.648 8.283 5.255 1.00 0.51 C ATOM 3340 CD2 TYR I 14 22.209 9.293 7.059 1.00 0.51 C ATOM 3341 CE1 TYR I 14 23.793 9.591 4.637 1.00 0.51 C ATOM 3342 CE2 TYR I 14 22.355 10.603 6.442 1.00 0.51 C ATOM 3343 CZ TYR I 14 23.147 10.752 5.229 1.00 0.51 C ATOM 3344 OH TYR I 14 23.284 11.993 4.641 1.00 0.51 O ATOM 0 H TYR I 14 20.293 7.456 6.939 1.00 0.51 H new ATOM 0 HA TYR I 14 22.022 5.883 5.252 1.00 0.51 H new ATOM 0 HB2 TYR I 14 22.356 6.879 8.127 1.00 0.51 H new ATOM 0 HB3 TYR I 14 23.654 6.260 7.125 1.00 0.51 H new ATOM 0 HD1 TYR I 14 24.128 7.421 4.815 1.00 0.51 H new ATOM 0 HD2 TYR I 14 21.620 9.181 7.958 1.00 0.51 H new ATOM 0 HE1 TYR I 14 24.381 9.701 3.738 1.00 0.51 H new ATOM 0 HE2 TYR I 14 21.876 11.464 6.884 1.00 0.51 H new ATOM 0 HH TYR I 14 22.789 12.659 5.163 1.00 0.51 H new ATOM 3354 N GLN I 15 20.772 4.436 7.924 1.00 0.22 N ATOM 3355 CA GLN I 15 20.617 3.097 8.555 1.00 0.22 C ATOM 3356 C GLN I 15 20.094 2.096 7.522 1.00 0.22 C ATOM 3357 O GLN I 15 20.424 0.928 7.556 1.00 0.22 O ATOM 3358 CB GLN I 15 19.631 3.195 9.717 1.00 0.22 C ATOM 3359 CG GLN I 15 20.341 3.786 10.933 1.00 0.22 C ATOM 3360 CD GLN I 15 19.438 3.653 12.157 1.00 0.22 C ATOM 3361 OE1 GLN I 15 18.915 4.726 12.686 1.00 0.22 O flip ATOM 3362 NE2 GLN I 15 19.205 2.561 12.639 1.00 0.22 N flip ATOM 0 H GLN I 15 20.238 5.188 8.359 1.00 0.22 H new ATOM 0 HA GLN I 15 21.584 2.758 8.925 1.00 0.22 H new ATOM 0 HB2 GLN I 15 18.783 3.820 9.437 1.00 0.22 H new ATOM 0 HB3 GLN I 15 19.235 2.208 9.957 1.00 0.22 H new ATOM 0 HG2 GLN I 15 21.285 3.268 11.105 1.00 0.22 H new ATOM 0 HG3 GLN I 15 20.580 4.834 10.755 1.00 0.22 H new ATOM 0 HE21 GLN I 15 19.614 1.723 12.225 1.00 0.22 H new ATOM 0 HE22 GLN I 15 18.601 2.483 13.457 1.00 0.22 H new ATOM 3371 N LEU I 16 19.280 2.541 6.605 1.00 0.01 N ATOM 3372 CA LEU I 16 18.737 1.608 5.578 1.00 0.01 C ATOM 3373 C LEU I 16 19.847 1.230 4.597 1.00 0.01 C ATOM 3374 O LEU I 16 19.849 0.155 4.029 1.00 0.01 O ATOM 3375 CB LEU I 16 17.597 2.290 4.819 1.00 0.01 C ATOM 3376 CG LEU I 16 16.447 2.587 5.781 1.00 0.01 C ATOM 3377 CD1 LEU I 16 15.306 3.269 5.024 1.00 0.01 C ATOM 3378 CD2 LEU I 16 15.943 1.277 6.388 1.00 0.01 C ATOM 0 H LEU I 16 18.968 3.509 6.522 1.00 0.01 H new ATOM 0 HA LEU I 16 18.361 0.709 6.067 1.00 0.01 H new ATOM 0 HB2 LEU I 16 17.952 3.215 4.364 1.00 0.01 H new ATOM 0 HB3 LEU I 16 17.251 1.648 4.009 1.00 0.01 H new ATOM 0 HG LEU I 16 16.799 3.247 6.574 1.00 0.01 H new ATOM 0 HD11 LEU I 16 14.487 3.480 5.712 1.00 0.01 H new ATOM 0 HD12 LEU I 16 15.664 4.202 4.590 1.00 0.01 H new ATOM 0 HD13 LEU I 16 14.952 2.612 4.230 1.00 0.01 H new ATOM 0 HD21 LEU I 16 15.123 1.486 7.075 1.00 0.01 H new ATOM 0 HD22 LEU I 16 15.592 0.619 5.593 1.00 0.01 H new ATOM 0 HD23 LEU I 16 16.755 0.791 6.930 1.00 0.01 H new ATOM 3390 N GLU I 17 20.790 2.107 4.392 1.00 0.27 N ATOM 3391 CA GLU I 17 21.900 1.805 3.444 1.00 0.27 C ATOM 3392 C GLU I 17 22.700 0.602 3.945 1.00 0.27 C ATOM 3393 O GLU I 17 23.242 -0.158 3.168 1.00 0.27 O ATOM 3394 CB GLU I 17 22.822 3.017 3.343 1.00 0.27 C ATOM 3395 CG GLU I 17 22.407 3.870 2.145 1.00 0.27 C ATOM 3396 CD GLU I 17 23.659 4.354 1.415 1.00 0.27 C ATOM 3397 OE1 GLU I 17 24.431 5.082 2.021 1.00 0.27 O ATOM 3398 OE2 GLU I 17 23.828 3.988 0.261 1.00 0.27 O ATOM 0 H GLU I 17 20.840 3.022 4.841 1.00 0.27 H new ATOM 0 HA GLU I 17 21.482 1.576 2.464 1.00 0.27 H new ATOM 0 HB2 GLU I 17 22.769 3.606 4.259 1.00 0.27 H new ATOM 0 HB3 GLU I 17 23.857 2.693 3.232 1.00 0.27 H new ATOM 0 HG2 GLU I 17 21.779 3.289 1.469 1.00 0.27 H new ATOM 0 HG3 GLU I 17 21.814 4.722 2.478 1.00 0.27 H new ATOM 3405 N ASN I 18 22.782 0.422 5.234 1.00 0.42 N ATOM 3406 CA ASN I 18 23.550 -0.734 5.775 1.00 0.42 C ATOM 3407 C ASN I 18 22.961 -2.034 5.231 1.00 0.42 C ATOM 3408 O ASN I 18 23.651 -3.023 5.082 1.00 0.42 O ATOM 3409 CB ASN I 18 23.462 -0.736 7.301 1.00 0.42 C ATOM 3410 CG ASN I 18 23.889 0.630 7.838 1.00 0.42 C ATOM 3411 OD1 ASN I 18 24.705 1.303 7.240 1.00 0.42 O ATOM 3412 ND2 ASN I 18 23.366 1.072 8.949 1.00 0.42 N ATOM 0 H ASN I 18 22.351 1.024 5.935 1.00 0.42 H new ATOM 0 HA ASN I 18 24.594 -0.651 5.471 1.00 0.42 H new ATOM 0 HB2 ASN I 18 22.443 -0.961 7.617 1.00 0.42 H new ATOM 0 HB3 ASN I 18 24.102 -1.517 7.712 1.00 0.42 H new ATOM 0 HD21 ASN I 18 23.642 1.983 9.316 1.00 0.42 H new ATOM 0 HD22 ASN I 18 22.681 0.507 9.451 1.00 0.42 H new ATOM 3419 N TYR I 19 21.690 -2.045 4.935 1.00 0.11 N ATOM 3420 CA TYR I 19 21.064 -3.288 4.401 1.00 0.11 C ATOM 3421 C TYR I 19 21.003 -3.240 2.869 1.00 0.11 C ATOM 3422 O TYR I 19 20.316 -4.029 2.249 1.00 0.11 O ATOM 3423 CB TYR I 19 19.641 -3.414 4.946 1.00 0.11 C ATOM 3424 CG TYR I 19 19.646 -3.203 6.439 1.00 0.11 C ATOM 3425 CD1 TYR I 19 20.187 -4.227 7.318 1.00 0.11 C ATOM 3426 CD2 TYR I 19 19.103 -1.976 6.999 1.00 0.11 C ATOM 3427 CE1 TYR I 19 20.185 -4.024 8.759 1.00 0.11 C ATOM 3428 CE2 TYR I 19 19.102 -1.772 8.439 1.00 0.11 C ATOM 3429 CZ TYR I 19 19.642 -2.795 9.319 1.00 0.11 C ATOM 3430 OH TYR I 19 19.640 -2.601 10.686 1.00 0.11 O ATOM 0 H TYR I 19 21.060 -1.250 5.039 1.00 0.11 H new ATOM 0 HA TYR I 19 21.665 -4.143 4.711 1.00 0.11 H new ATOM 0 HB2 TYR I 19 18.992 -2.680 4.468 1.00 0.11 H new ATOM 0 HB3 TYR I 19 19.237 -4.398 4.710 1.00 0.11 H new ATOM 0 HD1 TYR I 19 20.590 -5.138 6.902 1.00 0.11 H new ATOM 0 HD2 TYR I 19 18.700 -1.216 6.346 1.00 0.11 H new ATOM 0 HE1 TYR I 19 20.586 -4.785 9.412 1.00 0.11 H new ATOM 0 HE2 TYR I 19 18.700 -0.860 8.855 1.00 0.11 H new ATOM 0 HH TYR I 19 19.206 -3.363 11.124 1.00 0.11 H new ATOM 3440 N CYS I 20 21.702 -2.329 2.246 1.00 0.05 N ATOM 3441 CA CYS I 20 21.656 -2.252 0.762 1.00 0.05 C ATOM 3442 C CYS I 20 22.639 -3.259 0.165 1.00 0.05 C ATOM 3443 O CYS I 20 23.592 -3.664 0.801 1.00 0.05 O ATOM 3444 CB CYS I 20 22.038 -0.840 0.317 1.00 0.05 C ATOM 3445 SG CYS I 20 21.374 -0.534 -1.337 1.00 0.05 S ATOM 0 H CYS I 20 22.300 -1.639 2.701 1.00 0.05 H new ATOM 0 HA CYS I 20 20.649 -2.484 0.417 1.00 0.05 H new ATOM 0 HB2 CYS I 20 21.645 -0.106 1.021 1.00 0.05 H new ATOM 0 HB3 CYS I 20 23.122 -0.729 0.312 1.00 0.05 H new ATOM 3450 N ASN I 21 22.414 -3.664 -1.053 1.00 0.41 N ATOM 3451 CA ASN I 21 23.333 -4.645 -1.694 1.00 0.41 C ATOM 3452 C ASN I 21 24.429 -3.897 -2.453 1.00 0.41 C ATOM 3453 O ASN I 21 24.289 -3.740 -3.655 1.00 0.41 O ATOM 3454 CB ASN I 21 22.542 -5.515 -2.670 1.00 0.41 C ATOM 3455 CG ASN I 21 23.306 -6.814 -2.922 1.00 0.41 C ATOM 3456 OD1 ASN I 21 22.979 -7.843 -2.363 1.00 0.41 O ATOM 3457 ND2 ASN I 21 24.320 -6.808 -3.742 1.00 0.41 N ATOM 3458 OXT ASN I 21 25.391 -3.496 -1.820 1.00 0.41 O ATOM 0 H ASN I 21 21.633 -3.358 -1.633 1.00 0.41 H new ATOM 0 HA ASN I 21 23.787 -5.274 -0.928 1.00 0.41 H new ATOM 0 HB2 ASN I 21 21.555 -5.733 -2.263 1.00 0.41 H new ATOM 0 HB3 ASN I 21 22.389 -4.982 -3.608 1.00 0.41 H new ATOM 0 HD21 ASN I 21 24.841 -7.668 -3.916 1.00 0.41 H new ATOM 0 HD22 ASN I 21 24.592 -5.944 -4.210 1.00 0.41 H new TER 3465 ASN I 21 ATOM 3466 N PHE J 1 -3.544 -3.229 14.291 1.00 0.42 N ATOM 3467 CA PHE J 1 -2.228 -3.390 14.971 1.00 0.42 C ATOM 3468 C PHE J 1 -1.325 -4.294 14.122 1.00 0.42 C ATOM 3469 O PHE J 1 -0.138 -4.068 14.011 1.00 0.42 O ATOM 3470 CB PHE J 1 -2.446 -4.018 16.354 1.00 0.42 C ATOM 3471 CG PHE J 1 -1.114 -4.220 17.036 1.00 0.42 C ATOM 3472 CD1 PHE J 1 -0.142 -3.139 17.060 1.00 0.42 C ATOM 3473 CD2 PHE J 1 -0.801 -5.495 17.659 1.00 0.42 C ATOM 3474 CE1 PHE J 1 1.146 -3.335 17.707 1.00 0.42 C ATOM 3475 CE2 PHE J 1 0.487 -5.691 18.307 1.00 0.42 C ATOM 3476 CZ PHE J 1 1.461 -4.611 18.331 1.00 0.42 C ATOM 0 H1 PHE J 1 -4.101 -2.500 14.781 1.00 0.42 H new ATOM 0 H2 PHE J 1 -3.391 -2.942 13.303 1.00 0.42 H new ATOM 0 H3 PHE J 1 -4.059 -4.132 14.314 1.00 0.42 H new ATOM 0 HA PHE J 1 -1.751 -2.417 15.090 1.00 0.42 H new ATOM 0 HB2 PHE J 1 -3.082 -3.374 16.961 1.00 0.42 H new ATOM 0 HB3 PHE J 1 -2.963 -4.973 16.253 1.00 0.42 H new ATOM 0 HD1 PHE J 1 -0.376 -2.191 16.598 1.00 0.42 H new ATOM 0 HD2 PHE J 1 -1.524 -6.297 17.641 1.00 0.42 H new ATOM 0 HE1 PHE J 1 1.869 -2.533 17.724 1.00 0.42 H new ATOM 0 HE2 PHE J 1 0.720 -6.638 18.770 1.00 0.42 H new ATOM 0 HZ PHE J 1 2.417 -4.756 18.812 1.00 0.42 H new ATOM 3488 N VAL J 2 -1.890 -5.316 13.531 1.00 0.13 N ATOM 3489 CA VAL J 2 -1.100 -6.265 12.675 1.00 0.13 C ATOM 3490 C VAL J 2 0.246 -6.627 13.331 1.00 0.13 C ATOM 3491 O VAL J 2 0.418 -6.506 14.527 1.00 0.13 O ATOM 3492 CB VAL J 2 -0.876 -5.649 11.286 1.00 0.13 C ATOM 3493 CG1 VAL J 2 -2.216 -5.169 10.729 1.00 0.13 C ATOM 3494 CG2 VAL J 2 0.089 -4.463 11.373 1.00 0.13 C ATOM 0 H VAL J 2 -2.882 -5.540 13.604 1.00 0.13 H new ATOM 0 HA VAL J 2 -1.671 -7.187 12.570 1.00 0.13 H new ATOM 0 HB VAL J 2 -0.444 -6.405 10.630 1.00 0.13 H new ATOM 0 HG11 VAL J 2 -2.064 -4.730 9.743 1.00 0.13 H new ATOM 0 HG12 VAL J 2 -2.900 -6.014 10.649 1.00 0.13 H new ATOM 0 HG13 VAL J 2 -2.641 -4.420 11.398 1.00 0.13 H new ATOM 0 HG21 VAL J 2 0.236 -4.040 10.379 1.00 0.13 H new ATOM 0 HG22 VAL J 2 -0.328 -3.703 12.034 1.00 0.13 H new ATOM 0 HG23 VAL J 2 1.047 -4.802 11.768 1.00 0.13 H new ATOM 3504 N ASN J 3 1.186 -7.090 12.553 1.00 0.27 N ATOM 3505 CA ASN J 3 2.503 -7.484 13.122 1.00 0.27 C ATOM 3506 C ASN J 3 3.593 -7.334 12.058 1.00 0.27 C ATOM 3507 O ASN J 3 3.361 -6.826 10.978 1.00 0.27 O ATOM 3508 CB ASN J 3 2.428 -8.951 13.553 1.00 0.27 C ATOM 3509 CG ASN J 3 3.324 -9.185 14.769 1.00 0.27 C ATOM 3510 OD1 ASN J 3 4.240 -9.983 14.717 1.00 0.27 O ATOM 3511 ND2 ASN J 3 3.100 -8.517 15.868 1.00 0.27 N ATOM 0 H ASN J 3 1.097 -7.212 11.544 1.00 0.27 H new ATOM 0 HA ASN J 3 2.741 -6.847 13.974 1.00 0.27 H new ATOM 0 HB2 ASN J 3 1.398 -9.216 13.793 1.00 0.27 H new ATOM 0 HB3 ASN J 3 2.740 -9.596 12.732 1.00 0.27 H new ATOM 0 HD21 ASN J 3 3.694 -8.664 16.684 1.00 0.27 H new ATOM 0 HD22 ASN J 3 2.331 -7.848 15.910 1.00 0.27 H new ATOM 3518 N GLN J 4 4.779 -7.792 12.356 1.00 0.20 N ATOM 3519 CA GLN J 4 5.902 -7.710 11.379 1.00 0.20 C ATOM 3520 C GLN J 4 5.464 -8.331 10.044 1.00 0.20 C ATOM 3521 O GLN J 4 5.867 -7.899 8.984 1.00 0.20 O ATOM 3522 CB GLN J 4 7.093 -8.490 11.962 1.00 0.20 C ATOM 3523 CG GLN J 4 8.231 -8.587 10.941 1.00 0.20 C ATOM 3524 CD GLN J 4 9.486 -9.134 11.624 1.00 0.20 C ATOM 3525 OE1 GLN J 4 10.052 -10.115 11.181 1.00 0.20 O ATOM 3526 NE2 GLN J 4 9.948 -8.540 12.694 1.00 0.20 N ATOM 0 H GLN J 4 5.020 -8.225 13.247 1.00 0.20 H new ATOM 0 HA GLN J 4 6.186 -6.673 11.202 1.00 0.20 H new ATOM 0 HB2 GLN J 4 7.450 -7.996 12.866 1.00 0.20 H new ATOM 0 HB3 GLN J 4 6.772 -9.491 12.252 1.00 0.20 H new ATOM 0 HG2 GLN J 4 7.940 -9.238 10.117 1.00 0.20 H new ATOM 0 HG3 GLN J 4 8.435 -7.605 10.514 1.00 0.20 H new ATOM 0 HE21 GLN J 4 9.473 -7.717 13.066 1.00 0.20 H new ATOM 0 HE22 GLN J 4 10.783 -8.900 13.157 1.00 0.20 H new ATOM 3535 N HIS J 5 4.650 -9.350 10.098 1.00 0.14 N ATOM 3536 CA HIS J 5 4.191 -10.019 8.848 1.00 0.14 C ATOM 3537 C HIS J 5 3.592 -8.993 7.878 1.00 0.14 C ATOM 3538 O HIS J 5 3.500 -9.243 6.695 1.00 0.14 O ATOM 3539 CB HIS J 5 3.142 -11.071 9.197 1.00 0.14 C ATOM 3540 CG HIS J 5 3.017 -12.039 8.057 1.00 0.14 C ATOM 3541 ND1 HIS J 5 4.038 -12.908 7.712 1.00 0.14 N ATOM 3542 CD2 HIS J 5 2.000 -12.285 7.173 1.00 0.14 C ATOM 3543 CE1 HIS J 5 3.614 -13.630 6.660 1.00 0.14 C ATOM 3544 NE2 HIS J 5 2.378 -13.290 6.291 1.00 0.14 N ATOM 0 H HIS J 5 4.281 -9.750 10.961 1.00 0.14 H new ATOM 0 HA HIS J 5 5.045 -10.494 8.365 1.00 0.14 H new ATOM 0 HB2 HIS J 5 3.427 -11.598 10.108 1.00 0.14 H new ATOM 0 HB3 HIS J 5 2.182 -10.594 9.392 1.00 0.14 H new ATOM 0 HD1 HIS J 5 4.945 -12.986 8.172 1.00 0.14 H new ATOM 0 HD2 HIS J 5 1.048 -11.775 7.163 1.00 0.14 H new ATOM 0 HE1 HIS J 5 4.203 -14.393 6.173 1.00 0.14 H new ATOM 3552 N LEU J 6 3.170 -7.856 8.365 1.00 0.06 N ATOM 3553 CA LEU J 6 2.579 -6.824 7.459 1.00 0.06 C ATOM 3554 C LEU J 6 3.417 -5.536 7.515 1.00 0.06 C ATOM 3555 O LEU J 6 3.479 -4.782 6.564 1.00 0.06 O ATOM 3556 CB LEU J 6 1.149 -6.517 7.904 1.00 0.06 C ATOM 3557 CG LEU J 6 0.209 -7.616 7.412 1.00 0.06 C ATOM 3558 CD1 LEU J 6 -1.215 -7.311 7.876 1.00 0.06 C ATOM 3559 CD2 LEU J 6 0.243 -7.673 5.884 1.00 0.06 C ATOM 0 H LEU J 6 3.208 -7.596 9.351 1.00 0.06 H new ATOM 0 HA LEU J 6 2.574 -7.205 6.438 1.00 0.06 H new ATOM 0 HB2 LEU J 6 1.104 -6.446 8.991 1.00 0.06 H new ATOM 0 HB3 LEU J 6 0.834 -5.552 7.508 1.00 0.06 H new ATOM 0 HG LEU J 6 0.529 -8.575 7.818 1.00 0.06 H new ATOM 0 HD11 LEU J 6 -1.887 -8.094 7.526 1.00 0.06 H new ATOM 0 HD12 LEU J 6 -1.242 -7.270 8.965 1.00 0.06 H new ATOM 0 HD13 LEU J 6 -1.533 -6.351 7.469 1.00 0.06 H new ATOM 0 HD21 LEU J 6 -0.428 -8.457 5.534 1.00 0.06 H new ATOM 0 HD22 LEU J 6 -0.077 -6.714 5.477 1.00 0.06 H new ATOM 0 HD23 LEU J 6 1.258 -7.888 5.550 1.00 0.06 H new ATOM 3571 N CYS J 7 4.052 -5.279 8.626 1.00 0.04 N ATOM 3572 CA CYS J 7 4.884 -4.051 8.773 1.00 0.04 C ATOM 3573 C CYS J 7 6.095 -4.130 7.833 1.00 0.04 C ATOM 3574 O CYS J 7 6.427 -3.178 7.157 1.00 0.04 O ATOM 3575 CB CYS J 7 5.341 -3.980 10.238 1.00 0.04 C ATOM 3576 SG CYS J 7 6.519 -2.632 10.514 1.00 0.04 S ATOM 0 H CYS J 7 4.029 -5.878 9.451 1.00 0.04 H new ATOM 0 HA CYS J 7 4.315 -3.158 8.512 1.00 0.04 H new ATOM 0 HB2 CYS J 7 4.473 -3.841 10.883 1.00 0.04 H new ATOM 0 HB3 CYS J 7 5.800 -4.927 10.521 1.00 0.04 H new ATOM 3581 N GLY J 8 6.759 -5.254 7.795 1.00 0.00 N ATOM 3582 CA GLY J 8 7.956 -5.395 6.912 1.00 0.00 C ATOM 3583 C GLY J 8 7.569 -5.191 5.444 1.00 0.00 C ATOM 3584 O GLY J 8 8.358 -4.718 4.649 1.00 0.00 O ATOM 0 H GLY J 8 6.524 -6.084 8.339 1.00 0.00 H new ATOM 0 HA2 GLY J 8 8.714 -4.666 7.199 1.00 0.00 H new ATOM 0 HA3 GLY J 8 8.398 -6.383 7.044 1.00 0.00 H new ATOM 3588 N SER J 9 6.372 -5.552 5.068 1.00 0.01 N ATOM 3589 CA SER J 9 5.955 -5.383 3.643 1.00 0.01 C ATOM 3590 C SER J 9 6.130 -3.926 3.216 1.00 0.01 C ATOM 3591 O SER J 9 6.251 -3.628 2.046 1.00 0.01 O ATOM 3592 CB SER J 9 4.477 -5.764 3.480 1.00 0.01 C ATOM 3593 OG SER J 9 3.661 -4.685 3.918 1.00 0.01 O ATOM 0 H SER J 9 5.665 -5.956 5.683 1.00 0.01 H new ATOM 0 HA SER J 9 6.576 -6.029 3.023 1.00 0.01 H new ATOM 0 HB2 SER J 9 4.263 -5.997 2.437 1.00 0.01 H new ATOM 0 HB3 SER J 9 4.255 -6.661 4.059 1.00 0.01 H new ATOM 0 HG SER J 9 3.737 -4.591 4.891 1.00 0.01 H new ATOM 3599 N HIS J 10 6.113 -3.013 4.148 1.00 0.11 N ATOM 3600 CA HIS J 10 6.244 -1.581 3.771 1.00 0.11 C ATOM 3601 C HIS J 10 7.647 -1.062 4.081 1.00 0.11 C ATOM 3602 O HIS J 10 8.070 -0.061 3.538 1.00 0.11 O ATOM 3603 CB HIS J 10 5.192 -0.772 4.518 1.00 0.11 C ATOM 3604 CG HIS J 10 3.840 -1.277 4.101 1.00 0.11 C ATOM 3605 ND1 HIS J 10 3.309 -1.010 2.849 1.00 0.11 N ATOM 3606 CD2 HIS J 10 2.915 -2.061 4.743 1.00 0.11 C ATOM 3607 CE1 HIS J 10 2.116 -1.626 2.777 1.00 0.11 C ATOM 3608 NE2 HIS J 10 1.827 -2.282 3.904 1.00 0.11 N ATOM 0 H HIS J 10 6.015 -3.196 5.147 1.00 0.11 H new ATOM 0 HA HIS J 10 6.086 -1.476 2.698 1.00 0.11 H new ATOM 0 HB2 HIS J 10 5.323 -0.877 5.595 1.00 0.11 H new ATOM 0 HB3 HIS J 10 5.291 0.289 4.287 1.00 0.11 H new ATOM 0 HD1 HIS J 10 3.744 -0.449 2.116 1.00 0.11 H new ATOM 0 HD2 HIS J 10 3.016 -2.448 5.746 1.00 0.11 H new ATOM 0 HE1 HIS J 10 1.470 -1.594 1.912 1.00 0.11 H new ATOM 3616 N LEU J 11 8.385 -1.740 4.923 1.00 0.01 N ATOM 3617 CA LEU J 11 9.769 -1.274 5.214 1.00 0.01 C ATOM 3618 C LEU J 11 10.605 -1.514 3.960 1.00 0.01 C ATOM 3619 O LEU J 11 11.504 -0.765 3.637 1.00 0.01 O ATOM 3620 CB LEU J 11 10.374 -2.070 6.375 1.00 0.01 C ATOM 3621 CG LEU J 11 9.444 -2.043 7.585 1.00 0.01 C ATOM 3622 CD1 LEU J 11 10.078 -2.841 8.720 1.00 0.01 C ATOM 3623 CD2 LEU J 11 9.234 -0.605 8.047 1.00 0.01 C ATOM 0 H LEU J 11 8.092 -2.584 5.414 1.00 0.01 H new ATOM 0 HA LEU J 11 9.755 -0.220 5.490 1.00 0.01 H new ATOM 0 HB2 LEU J 11 10.547 -3.101 6.065 1.00 0.01 H new ATOM 0 HB3 LEU J 11 11.343 -1.651 6.645 1.00 0.01 H new ATOM 0 HG LEU J 11 8.483 -2.478 7.310 1.00 0.01 H new ATOM 0 HD11 LEU J 11 9.419 -2.826 9.588 1.00 0.01 H new ATOM 0 HD12 LEU J 11 10.232 -3.871 8.399 1.00 0.01 H new ATOM 0 HD13 LEU J 11 11.037 -2.397 8.985 1.00 0.01 H new ATOM 0 HD21 LEU J 11 8.569 -0.594 8.911 1.00 0.01 H new ATOM 0 HD22 LEU J 11 10.194 -0.167 8.322 1.00 0.01 H new ATOM 0 HD23 LEU J 11 8.789 -0.025 7.239 1.00 0.01 H new ATOM 3635 N VAL J 12 10.304 -2.572 3.255 1.00 0.00 N ATOM 3636 CA VAL J 12 11.062 -2.899 2.017 1.00 0.00 C ATOM 3637 C VAL J 12 10.830 -1.817 0.958 1.00 0.00 C ATOM 3638 O VAL J 12 11.720 -1.468 0.209 1.00 0.00 O ATOM 3639 CB VAL J 12 10.593 -4.245 1.465 1.00 0.00 C ATOM 3640 CG1 VAL J 12 10.934 -5.354 2.460 1.00 0.00 C ATOM 3641 CG2 VAL J 12 9.080 -4.211 1.237 1.00 0.00 C ATOM 0 H VAL J 12 9.558 -3.228 3.488 1.00 0.00 H new ATOM 0 HA VAL J 12 12.124 -2.949 2.259 1.00 0.00 H new ATOM 0 HB VAL J 12 11.096 -4.439 0.518 1.00 0.00 H new ATOM 0 HG11 VAL J 12 10.599 -6.313 2.065 1.00 0.00 H new ATOM 0 HG12 VAL J 12 12.012 -5.383 2.617 1.00 0.00 H new ATOM 0 HG13 VAL J 12 10.434 -5.158 3.409 1.00 0.00 H new ATOM 0 HG21 VAL J 12 8.750 -5.172 0.843 1.00 0.00 H new ATOM 0 HG22 VAL J 12 8.574 -4.012 2.182 1.00 0.00 H new ATOM 0 HG23 VAL J 12 8.837 -3.424 0.523 1.00 0.00 H new ATOM 3651 N GLU J 13 9.639 -1.289 0.880 1.00 0.10 N ATOM 3652 CA GLU J 13 9.349 -0.241 -0.138 1.00 0.10 C ATOM 3653 C GLU J 13 10.348 0.903 -0.002 1.00 0.10 C ATOM 3654 O GLU J 13 10.934 1.345 -0.970 1.00 0.10 O ATOM 3655 CB GLU J 13 7.938 0.301 0.070 1.00 0.10 C ATOM 3656 CG GLU J 13 6.945 -0.857 0.081 1.00 0.10 C ATOM 3657 CD GLU J 13 5.528 -0.310 -0.094 1.00 0.10 C ATOM 3658 OE1 GLU J 13 4.955 0.124 0.891 1.00 0.10 O ATOM 3659 OE2 GLU J 13 5.041 -0.331 -1.213 1.00 0.10 O ATOM 0 H GLU J 13 8.853 -1.539 1.479 1.00 0.10 H new ATOM 0 HA GLU J 13 9.431 -0.681 -1.132 1.00 0.10 H new ATOM 0 HB2 GLU J 13 7.883 0.850 1.010 1.00 0.10 H new ATOM 0 HB3 GLU J 13 7.686 1.003 -0.725 1.00 0.10 H new ATOM 0 HG2 GLU J 13 7.178 -1.558 -0.720 1.00 0.10 H new ATOM 0 HG3 GLU J 13 7.021 -1.408 1.019 1.00 0.10 H new ATOM 3666 N ALA J 14 10.549 1.389 1.188 1.00 0.01 N ATOM 3667 CA ALA J 14 11.512 2.505 1.376 1.00 0.01 C ATOM 3668 C ALA J 14 12.937 1.970 1.242 1.00 0.01 C ATOM 3669 O ALA J 14 13.843 2.679 0.856 1.00 0.01 O ATOM 3670 CB ALA J 14 11.324 3.110 2.766 1.00 0.01 C ATOM 0 H ALA J 14 10.089 1.062 2.038 1.00 0.01 H new ATOM 0 HA ALA J 14 11.337 3.271 0.620 1.00 0.01 H new ATOM 0 HB1 ALA J 14 12.030 3.929 2.905 1.00 0.01 H new ATOM 0 HB2 ALA J 14 10.306 3.488 2.864 1.00 0.01 H new ATOM 0 HB3 ALA J 14 11.501 2.346 3.523 1.00 0.01 H new ATOM 3676 N LEU J 15 13.141 0.724 1.564 1.00 0.00 N ATOM 3677 CA LEU J 15 14.507 0.142 1.465 1.00 0.00 C ATOM 3678 C LEU J 15 15.025 0.247 0.035 1.00 0.00 C ATOM 3679 O LEU J 15 16.013 0.906 -0.224 1.00 0.00 O ATOM 3680 CB LEU J 15 14.472 -1.333 1.856 1.00 0.00 C ATOM 3681 CG LEU J 15 14.807 -1.491 3.339 1.00 0.00 C ATOM 3682 CD1 LEU J 15 14.549 -2.936 3.766 1.00 0.00 C ATOM 3683 CD2 LEU J 15 16.281 -1.152 3.564 1.00 0.00 C ATOM 0 H LEU J 15 12.419 0.082 1.892 1.00 0.00 H new ATOM 0 HA LEU J 15 15.163 0.695 2.137 1.00 0.00 H new ATOM 0 HB2 LEU J 15 13.485 -1.748 1.652 1.00 0.00 H new ATOM 0 HB3 LEU J 15 15.185 -1.894 1.252 1.00 0.00 H new ATOM 0 HG LEU J 15 14.183 -0.819 3.928 1.00 0.00 H new ATOM 0 HD11 LEU J 15 14.787 -3.051 4.823 1.00 0.00 H new ATOM 0 HD12 LEU J 15 13.500 -3.182 3.602 1.00 0.00 H new ATOM 0 HD13 LEU J 15 15.176 -3.607 3.178 1.00 0.00 H new ATOM 0 HD21 LEU J 15 16.523 -1.264 4.621 1.00 0.00 H new ATOM 0 HD22 LEU J 15 16.903 -1.827 2.976 1.00 0.00 H new ATOM 0 HD23 LEU J 15 16.469 -0.124 3.256 1.00 0.00 H new ATOM 3695 N TYR J 16 14.392 -0.422 -0.897 1.00 0.00 N ATOM 3696 CA TYR J 16 14.896 -0.369 -2.295 1.00 0.00 C ATOM 3697 C TYR J 16 14.642 1.012 -2.915 1.00 0.00 C ATOM 3698 O TYR J 16 15.222 1.352 -3.928 1.00 0.00 O ATOM 3699 CB TYR J 16 14.321 -1.538 -3.124 1.00 0.00 C ATOM 3700 CG TYR J 16 12.997 -1.237 -3.795 1.00 0.00 C ATOM 3701 CD1 TYR J 16 11.799 -1.011 -3.005 1.00 0.00 C ATOM 3702 CD2 TYR J 16 12.924 -1.245 -5.247 1.00 0.00 C ATOM 3703 CE1 TYR J 16 10.521 -0.793 -3.671 1.00 0.00 C ATOM 3704 CE2 TYR J 16 11.654 -1.015 -5.911 1.00 0.00 C ATOM 3705 CZ TYR J 16 10.451 -0.794 -5.127 1.00 0.00 C ATOM 3706 OH TYR J 16 9.244 -0.607 -5.764 1.00 0.00 O ATOM 0 H TYR J 16 13.560 -0.994 -0.749 1.00 0.00 H new ATOM 0 HA TYR J 16 15.978 -0.501 -2.294 1.00 0.00 H new ATOM 0 HB2 TYR J 16 15.047 -1.817 -3.888 1.00 0.00 H new ATOM 0 HB3 TYR J 16 14.196 -2.403 -2.472 1.00 0.00 H new ATOM 0 HD1 TYR J 16 11.855 -1.005 -1.926 1.00 0.00 H new ATOM 0 HD2 TYR J 16 13.815 -1.422 -5.832 1.00 0.00 H new ATOM 0 HE1 TYR J 16 9.627 -0.631 -3.087 1.00 0.00 H new ATOM 0 HE2 TYR J 16 11.603 -1.008 -6.990 1.00 0.00 H new ATOM 0 HH TYR J 16 8.984 0.336 -5.702 1.00 0.00 H new ATOM 3716 N LEU J 17 13.839 1.834 -2.291 1.00 0.10 N ATOM 3717 CA LEU J 17 13.633 3.203 -2.828 1.00 0.10 C ATOM 3718 C LEU J 17 14.904 3.995 -2.520 1.00 0.10 C ATOM 3719 O LEU J 17 15.351 4.816 -3.296 1.00 0.10 O ATOM 3720 CB LEU J 17 12.436 3.855 -2.138 1.00 0.10 C ATOM 3721 CG LEU J 17 11.951 5.041 -2.969 1.00 0.10 C ATOM 3722 CD1 LEU J 17 10.422 5.057 -2.985 1.00 0.10 C ATOM 3723 CD2 LEU J 17 12.470 6.339 -2.349 1.00 0.10 C ATOM 0 H LEU J 17 13.322 1.615 -1.439 1.00 0.10 H new ATOM 0 HA LEU J 17 13.436 3.179 -3.900 1.00 0.10 H new ATOM 0 HB2 LEU J 17 11.632 3.129 -2.018 1.00 0.10 H new ATOM 0 HB3 LEU J 17 12.716 4.188 -1.139 1.00 0.10 H new ATOM 0 HG LEU J 17 12.324 4.951 -3.989 1.00 0.10 H new ATOM 0 HD11 LEU J 17 10.073 5.903 -3.578 1.00 0.10 H new ATOM 0 HD12 LEU J 17 10.053 4.130 -3.424 1.00 0.10 H new ATOM 0 HD13 LEU J 17 10.048 5.150 -1.965 1.00 0.10 H new ATOM 0 HD21 LEU J 17 12.126 7.188 -2.940 1.00 0.10 H new ATOM 0 HD22 LEU J 17 12.095 6.431 -1.330 1.00 0.10 H new ATOM 0 HD23 LEU J 17 13.560 6.325 -2.335 1.00 0.10 H new ATOM 3735 N VAL J 18 15.503 3.720 -1.389 1.00 0.13 N ATOM 3736 CA VAL J 18 16.764 4.411 -1.009 1.00 0.13 C ATOM 3737 C VAL J 18 17.912 3.786 -1.804 1.00 0.13 C ATOM 3738 O VAL J 18 18.839 4.456 -2.210 1.00 0.13 O ATOM 3739 CB VAL J 18 17.013 4.221 0.493 1.00 0.13 C ATOM 3740 CG1 VAL J 18 18.357 4.843 0.885 1.00 0.13 C ATOM 3741 CG2 VAL J 18 15.894 4.901 1.282 1.00 0.13 C ATOM 0 H VAL J 18 15.166 3.039 -0.709 1.00 0.13 H new ATOM 0 HA VAL J 18 16.695 5.477 -1.227 1.00 0.13 H new ATOM 0 HB VAL J 18 17.032 3.155 0.719 1.00 0.13 H new ATOM 0 HG11 VAL J 18 18.525 4.703 1.953 1.00 0.13 H new ATOM 0 HG12 VAL J 18 19.158 4.360 0.325 1.00 0.13 H new ATOM 0 HG13 VAL J 18 18.345 5.909 0.656 1.00 0.13 H new ATOM 0 HG21 VAL J 18 16.069 4.767 2.350 1.00 0.13 H new ATOM 0 HG22 VAL J 18 15.878 5.965 1.047 1.00 0.13 H new ATOM 0 HG23 VAL J 18 14.936 4.456 1.012 1.00 0.13 H new ATOM 3751 N CYS J 19 17.849 2.505 -2.034 1.00 0.06 N ATOM 3752 CA CYS J 19 18.928 1.833 -2.809 1.00 0.06 C ATOM 3753 C CYS J 19 18.797 2.198 -4.290 1.00 0.06 C ATOM 3754 O CYS J 19 19.748 2.126 -5.043 1.00 0.06 O ATOM 3755 CB CYS J 19 18.800 0.319 -2.651 1.00 0.06 C ATOM 3756 SG CYS J 19 19.414 -0.172 -1.022 1.00 0.06 S ATOM 0 H CYS J 19 17.096 1.894 -1.718 1.00 0.06 H new ATOM 0 HA CYS J 19 19.899 2.160 -2.436 1.00 0.06 H new ATOM 0 HB2 CYS J 19 17.759 0.018 -2.765 1.00 0.06 H new ATOM 0 HB3 CYS J 19 19.366 -0.188 -3.433 1.00 0.06 H new ATOM 3761 N GLY J 20 17.630 2.590 -4.718 1.00 0.13 N ATOM 3762 CA GLY J 20 17.450 2.959 -6.149 1.00 0.13 C ATOM 3763 C GLY J 20 17.460 1.696 -7.009 1.00 0.13 C ATOM 3764 O GLY J 20 16.592 0.852 -6.903 1.00 0.13 O ATOM 0 H GLY J 20 16.794 2.671 -4.139 1.00 0.13 H new ATOM 0 HA2 GLY J 20 16.510 3.494 -6.282 1.00 0.13 H new ATOM 0 HA3 GLY J 20 18.247 3.632 -6.464 1.00 0.13 H new ATOM 3768 N GLU J 21 18.434 1.559 -7.863 1.00 0.48 N ATOM 3769 CA GLU J 21 18.496 0.350 -8.731 1.00 0.48 C ATOM 3770 C GLU J 21 19.170 -0.797 -7.972 1.00 0.48 C ATOM 3771 O GLU J 21 18.992 -1.954 -8.294 1.00 0.48 O ATOM 3772 CB GLU J 21 19.299 0.674 -9.994 1.00 0.48 C ATOM 3773 CG GLU J 21 18.733 1.941 -10.641 1.00 0.48 C ATOM 3774 CD GLU J 21 19.076 1.957 -12.133 1.00 0.48 C ATOM 3775 OE1 GLU J 21 18.802 0.969 -12.797 1.00 0.48 O ATOM 3776 OE2 GLU J 21 19.605 2.960 -12.589 1.00 0.48 O ATOM 0 H GLU J 21 19.190 2.231 -7.998 1.00 0.48 H new ATOM 0 HA GLU J 21 17.486 0.050 -9.009 1.00 0.48 H new ATOM 0 HB2 GLU J 21 20.350 0.818 -9.744 1.00 0.48 H new ATOM 0 HB3 GLU J 21 19.249 -0.160 -10.695 1.00 0.48 H new ATOM 0 HG2 GLU J 21 17.652 1.978 -10.506 1.00 0.48 H new ATOM 0 HG3 GLU J 21 19.145 2.825 -10.154 1.00 0.48 H new ATOM 3783 N ARG J 22 19.943 -0.489 -6.967 1.00 0.29 N ATOM 3784 CA ARG J 22 20.624 -1.565 -6.198 1.00 0.29 C ATOM 3785 C ARG J 22 19.579 -2.510 -5.607 1.00 0.29 C ATOM 3786 O ARG J 22 18.390 -2.306 -5.750 1.00 0.29 O ATOM 3787 CB ARG J 22 21.439 -0.939 -5.070 1.00 0.29 C ATOM 3788 CG ARG J 22 22.766 -0.433 -5.624 1.00 0.29 C ATOM 3789 CD ARG J 22 23.770 -0.293 -4.483 1.00 0.29 C ATOM 3790 NE ARG J 22 23.455 0.930 -3.697 1.00 0.29 N ATOM 3791 CZ ARG J 22 24.324 1.396 -2.844 1.00 0.29 C ATOM 3792 NH1 ARG J 22 24.755 0.638 -1.872 1.00 0.29 N ATOM 3793 NH2 ARG J 22 24.766 2.619 -2.965 1.00 0.29 N ATOM 0 H ARG J 22 20.131 0.461 -6.646 1.00 0.29 H new ATOM 0 HA ARG J 22 21.285 -2.125 -6.860 1.00 0.29 H new ATOM 0 HB2 ARG J 22 20.884 -0.117 -4.618 1.00 0.29 H new ATOM 0 HB3 ARG J 22 21.617 -1.673 -4.284 1.00 0.29 H new ATOM 0 HG2 ARG J 22 23.147 -1.125 -6.375 1.00 0.29 H new ATOM 0 HG3 ARG J 22 22.624 0.528 -6.118 1.00 0.29 H new ATOM 0 HD2 ARG J 22 23.732 -1.172 -3.840 1.00 0.29 H new ATOM 0 HD3 ARG J 22 24.783 -0.233 -4.880 1.00 0.29 H new ATOM 0 HE ARG J 22 22.561 1.403 -3.825 1.00 0.29 H new ATOM 0 HH11 ARG J 22 24.412 -0.318 -1.780 1.00 0.29 H new ATOM 0 HH12 ARG J 22 25.435 1.002 -1.204 1.00 0.29 H new ATOM 0 HH21 ARG J 22 24.431 3.209 -3.727 1.00 0.29 H new ATOM 0 HH22 ARG J 22 25.446 2.984 -2.298 1.00 0.29 H new ATOM 3807 N GLY J 23 20.015 -3.543 -4.942 1.00 0.01 N ATOM 3808 CA GLY J 23 19.049 -4.502 -4.337 1.00 0.01 C ATOM 3809 C GLY J 23 19.347 -4.652 -2.845 1.00 0.01 C ATOM 3810 O GLY J 23 20.215 -3.992 -2.308 1.00 0.01 O ATOM 0 H GLY J 23 20.999 -3.765 -4.791 1.00 0.01 H new ATOM 0 HA2 GLY J 23 18.029 -4.147 -4.481 1.00 0.01 H new ATOM 0 HA3 GLY J 23 19.122 -5.470 -4.833 1.00 0.01 H new ATOM 3814 N PHE J 24 18.640 -5.518 -2.171 1.00 0.00 N ATOM 3815 CA PHE J 24 18.894 -5.703 -0.717 1.00 0.00 C ATOM 3816 C PHE J 24 18.361 -7.067 -0.265 1.00 0.00 C ATOM 3817 O PHE J 24 17.555 -7.682 -0.933 1.00 0.00 O ATOM 3818 CB PHE J 24 18.200 -4.578 0.070 1.00 0.00 C ATOM 3819 CG PHE J 24 16.696 -4.673 -0.090 1.00 0.00 C ATOM 3820 CD1 PHE J 24 16.089 -4.485 -1.395 1.00 0.00 C ATOM 3821 CD2 PHE J 24 15.862 -4.964 1.066 1.00 0.00 C ATOM 3822 CE1 PHE J 24 14.645 -4.588 -1.547 1.00 0.00 C ATOM 3823 CE2 PHE J 24 14.420 -5.065 0.915 1.00 0.00 C ATOM 3824 CZ PHE J 24 13.811 -4.877 -0.393 1.00 0.00 C ATOM 0 H PHE J 24 17.901 -6.102 -2.563 1.00 0.00 H new ATOM 0 HA PHE J 24 19.967 -5.665 -0.528 1.00 0.00 H new ATOM 0 HB2 PHE J 24 18.465 -4.646 1.125 1.00 0.00 H new ATOM 0 HB3 PHE J 24 18.549 -3.608 -0.284 1.00 0.00 H new ATOM 0 HD1 PHE J 24 16.708 -4.269 -2.253 1.00 0.00 H new ATOM 0 HD2 PHE J 24 16.314 -5.105 2.036 1.00 0.00 H new ATOM 0 HE1 PHE J 24 14.193 -4.450 -2.518 1.00 0.00 H new ATOM 0 HE2 PHE J 24 13.801 -5.280 1.773 1.00 0.00 H new ATOM 0 HZ PHE J 24 12.740 -4.952 -0.506 1.00 0.00 H new ATOM 3834 N PHE J 25 18.788 -7.529 0.871 1.00 0.33 N ATOM 3835 CA PHE J 25 18.287 -8.837 1.372 1.00 0.33 C ATOM 3836 C PHE J 25 17.367 -8.584 2.564 1.00 0.33 C ATOM 3837 O PHE J 25 17.750 -7.965 3.535 1.00 0.33 O ATOM 3838 CB PHE J 25 19.454 -9.744 1.794 1.00 0.33 C ATOM 3839 CG PHE J 25 20.514 -8.948 2.519 1.00 0.33 C ATOM 3840 CD1 PHE J 25 20.407 -8.726 3.952 1.00 0.33 C ATOM 3841 CD2 PHE J 25 21.639 -8.400 1.778 1.00 0.33 C ATOM 3842 CE1 PHE J 25 21.428 -7.957 4.647 1.00 0.33 C ATOM 3843 CE2 PHE J 25 22.660 -7.632 2.473 1.00 0.33 C ATOM 3844 CZ PHE J 25 22.556 -7.410 3.907 1.00 0.33 C ATOM 0 H PHE J 25 19.462 -7.060 1.476 1.00 0.33 H new ATOM 0 HA PHE J 25 17.740 -9.341 0.575 1.00 0.33 H new ATOM 0 HB2 PHE J 25 19.086 -10.542 2.439 1.00 0.33 H new ATOM 0 HB3 PHE J 25 19.888 -10.220 0.915 1.00 0.33 H new ATOM 0 HD1 PHE J 25 19.570 -9.132 4.500 1.00 0.33 H new ATOM 0 HD2 PHE J 25 21.716 -8.563 0.713 1.00 0.33 H new ATOM 0 HE1 PHE J 25 21.349 -7.792 5.711 1.00 0.33 H new ATOM 0 HE2 PHE J 25 23.497 -7.226 1.924 1.00 0.33 H new ATOM 0 HZ PHE J 25 23.315 -6.840 4.422 1.00 0.33 H new ATOM 3854 N TYR J 26 16.150 -9.045 2.488 1.00 0.00 N ATOM 3855 CA TYR J 26 15.194 -8.822 3.607 1.00 0.00 C ATOM 3856 C TYR J 26 14.925 -10.141 4.331 1.00 0.00 C ATOM 3857 O TYR J 26 14.370 -11.064 3.772 1.00 0.00 O ATOM 3858 CB TYR J 26 13.879 -8.280 3.044 1.00 0.00 C ATOM 3859 CG TYR J 26 13.005 -7.803 4.177 1.00 0.00 C ATOM 3860 CD1 TYR J 26 13.253 -6.507 4.788 1.00 0.00 C ATOM 3861 CD2 TYR J 26 11.916 -8.638 4.660 1.00 0.00 C ATOM 3862 CE1 TYR J 26 12.414 -6.046 5.881 1.00 0.00 C ATOM 3863 CE2 TYR J 26 11.076 -8.177 5.755 1.00 0.00 C ATOM 3864 CZ TYR J 26 11.326 -6.881 6.366 1.00 0.00 C ATOM 3865 OH TYR J 26 10.531 -6.442 7.406 1.00 0.00 O ATOM 0 H TYR J 26 15.776 -9.568 1.697 1.00 0.00 H new ATOM 0 HA TYR J 26 15.622 -8.106 4.309 1.00 0.00 H new ATOM 0 HB2 TYR J 26 14.077 -7.460 2.354 1.00 0.00 H new ATOM 0 HB3 TYR J 26 13.366 -9.057 2.477 1.00 0.00 H new ATOM 0 HD1 TYR J 26 14.061 -5.887 4.429 1.00 0.00 H new ATOM 0 HD2 TYR J 26 11.731 -9.600 4.206 1.00 0.00 H new ATOM 0 HE1 TYR J 26 12.598 -5.083 6.334 1.00 0.00 H new ATOM 0 HE2 TYR J 26 10.268 -8.797 6.114 1.00 0.00 H new ATOM 0 HH TYR J 26 10.427 -7.161 8.064 1.00 0.00 H new ATOM 3875 N THR J 27 15.308 -10.237 5.574 1.00 0.24 N ATOM 3876 CA THR J 27 15.063 -11.494 6.332 1.00 0.24 C ATOM 3877 C THR J 27 14.291 -11.171 7.626 1.00 0.24 C ATOM 3878 O THR J 27 14.898 -10.765 8.597 1.00 0.24 O ATOM 3879 CB THR J 27 16.400 -12.146 6.691 1.00 0.24 C ATOM 3880 OG1 THR J 27 17.226 -11.193 7.343 1.00 0.24 O ATOM 3881 CG2 THR J 27 17.088 -12.637 5.417 1.00 0.24 C ATOM 0 H THR J 27 15.780 -9.499 6.097 1.00 0.24 H new ATOM 0 HA THR J 27 14.478 -12.178 5.717 1.00 0.24 H new ATOM 0 HB THR J 27 16.228 -12.993 7.355 1.00 0.24 H new ATOM 0 HG1 THR J 27 16.699 -10.706 8.011 1.00 0.24 H new ATOM 0 HG21 THR J 27 18.040 -13.101 5.674 1.00 0.24 H new ATOM 0 HG22 THR J 27 16.451 -13.367 4.918 1.00 0.24 H new ATOM 0 HG23 THR J 27 17.264 -11.793 4.750 1.00 0.24 H new ATOM 3889 N PRO J 28 12.973 -11.355 7.625 1.00 0.05 N ATOM 3890 CA PRO J 28 12.160 -11.072 8.821 1.00 0.05 C ATOM 3891 C PRO J 28 12.282 -12.224 9.820 1.00 0.05 C ATOM 3892 O PRO J 28 11.307 -12.859 10.172 1.00 0.05 O ATOM 3893 CB PRO J 28 10.731 -10.972 8.282 1.00 0.05 C ATOM 3894 CG PRO J 28 10.710 -11.753 6.946 1.00 0.05 C ATOM 3895 CD PRO J 28 12.172 -11.851 6.470 1.00 0.05 C ATOM 0 HA PRO J 28 12.470 -10.168 9.346 1.00 0.05 H new ATOM 0 HB2 PRO J 28 10.019 -11.395 8.990 1.00 0.05 H new ATOM 0 HB3 PRO J 28 10.447 -9.931 8.128 1.00 0.05 H new ATOM 0 HG2 PRO J 28 10.280 -12.745 7.084 1.00 0.05 H new ATOM 0 HG3 PRO J 28 10.095 -11.239 6.207 1.00 0.05 H new ATOM 0 HD2 PRO J 28 12.438 -12.876 6.213 1.00 0.05 H new ATOM 0 HD3 PRO J 28 12.341 -11.245 5.580 1.00 0.05 H new ATOM 3903 N LYS J 29 13.472 -12.503 10.271 1.00 0.40 N ATOM 3904 CA LYS J 29 13.659 -13.619 11.237 1.00 0.40 C ATOM 3905 C LYS J 29 14.987 -13.439 11.973 1.00 0.40 C ATOM 3906 O LYS J 29 15.955 -14.124 11.703 1.00 0.40 O ATOM 3907 CB LYS J 29 13.676 -14.946 10.476 1.00 0.40 C ATOM 3908 CG LYS J 29 13.840 -16.100 11.466 1.00 0.40 C ATOM 3909 CD LYS J 29 13.814 -17.428 10.708 1.00 0.40 C ATOM 3910 CE LYS J 29 15.130 -17.608 9.948 1.00 0.40 C ATOM 3911 NZ LYS J 29 14.870 -18.305 8.655 1.00 0.40 N ATOM 0 H LYS J 29 14.324 -12.006 10.012 1.00 0.40 H new ATOM 0 HA LYS J 29 12.842 -13.619 11.958 1.00 0.40 H new ATOM 0 HB2 LYS J 29 12.751 -15.066 9.912 1.00 0.40 H new ATOM 0 HB3 LYS J 29 14.493 -14.953 9.754 1.00 0.40 H new ATOM 0 HG2 LYS J 29 14.780 -15.997 12.009 1.00 0.40 H new ATOM 0 HG3 LYS J 29 13.040 -16.075 12.206 1.00 0.40 H new ATOM 0 HD2 LYS J 29 13.668 -18.254 11.405 1.00 0.40 H new ATOM 0 HD3 LYS J 29 12.975 -17.446 10.013 1.00 0.40 H new ATOM 0 HE2 LYS J 29 15.591 -16.638 9.763 1.00 0.40 H new ATOM 0 HE3 LYS J 29 15.833 -18.185 10.549 1.00 0.40 H new ATOM 0 HZ1 LYS J 29 15.765 -18.426 8.140 1.00 0.40 H new ATOM 0 HZ2 LYS J 29 14.449 -19.237 8.842 1.00 0.40 H new ATOM 0 HZ3 LYS J 29 14.214 -17.738 8.081 1.00 0.40 H new ATOM 3925 N THR J 30 15.043 -12.524 12.903 1.00 0.62 N ATOM 3926 CA THR J 30 16.312 -12.305 13.655 1.00 0.62 C ATOM 3927 C THR J 30 16.661 -13.569 14.442 1.00 0.62 C ATOM 3928 O THR J 30 17.784 -14.032 14.315 1.00 0.62 O ATOM 3929 CB THR J 30 16.135 -11.137 14.627 1.00 0.62 C ATOM 3930 OG1 THR J 30 15.464 -10.071 13.967 1.00 0.62 O ATOM 3931 CG2 THR J 30 17.506 -10.662 15.111 1.00 0.62 C ATOM 3932 OXT THR J 30 15.799 -14.053 15.162 1.00 0.62 O ATOM 0 H THR J 30 14.267 -11.920 13.174 1.00 0.62 H new ATOM 0 HA THR J 30 17.114 -12.077 12.953 1.00 0.62 H new ATOM 0 HB THR J 30 15.544 -11.462 15.484 1.00 0.62 H new ATOM 0 HG1 THR J 30 15.348 -9.322 14.589 1.00 0.62 H new ATOM 0 HG21 THR J 30 17.379 -9.830 15.803 1.00 0.62 H new ATOM 0 HG22 THR J 30 18.017 -11.481 15.618 1.00 0.62 H new ATOM 0 HG23 THR J 30 18.100 -10.336 14.257 1.00 0.62 H new TER 3940 THR J 30 ATOM 3941 N GLY K 1 14.824 -11.082 -14.064 1.00 0.29 N ATOM 3942 CA GLY K 1 14.998 -12.395 -13.378 1.00 0.29 C ATOM 3943 C GLY K 1 13.788 -12.664 -12.480 1.00 0.29 C ATOM 3944 O GLY K 1 13.207 -13.733 -12.508 1.00 0.29 O ATOM 0 H1 GLY K 1 15.024 -11.191 -15.079 1.00 0.29 H new ATOM 0 H2 GLY K 1 13.846 -10.751 -13.937 1.00 0.29 H new ATOM 0 H3 GLY K 1 15.481 -10.387 -13.655 1.00 0.29 H new ATOM 0 HA2 GLY K 1 15.102 -13.192 -14.115 1.00 0.29 H new ATOM 0 HA3 GLY K 1 15.912 -12.389 -12.784 1.00 0.29 H new ATOM 3950 N ILE K 2 13.401 -11.706 -11.684 1.00 0.05 N ATOM 3951 CA ILE K 2 12.227 -11.911 -10.790 1.00 0.05 C ATOM 3952 C ILE K 2 11.271 -10.731 -10.939 1.00 0.05 C ATOM 3953 O ILE K 2 10.069 -10.895 -10.996 1.00 0.05 O ATOM 3954 CB ILE K 2 12.701 -12.003 -9.338 1.00 0.05 C ATOM 3955 CG1 ILE K 2 11.493 -12.179 -8.409 1.00 0.05 C ATOM 3956 CG2 ILE K 2 13.443 -10.720 -8.962 1.00 0.05 C ATOM 3957 CD1 ILE K 2 11.977 -12.301 -6.963 1.00 0.05 C ATOM 0 H ILE K 2 13.846 -10.791 -11.614 1.00 0.05 H new ATOM 0 HA ILE K 2 11.716 -12.834 -11.063 1.00 0.05 H new ATOM 0 HB ILE K 2 13.368 -12.858 -9.232 1.00 0.05 H new ATOM 0 HG12 ILE K 2 10.818 -11.329 -8.508 1.00 0.05 H new ATOM 0 HG13 ILE K 2 10.929 -13.068 -8.692 1.00 0.05 H new ATOM 0 HG21 ILE K 2 13.781 -10.785 -7.928 1.00 0.05 H new ATOM 0 HG22 ILE K 2 14.304 -10.592 -9.618 1.00 0.05 H new ATOM 0 HG23 ILE K 2 12.773 -9.867 -9.072 1.00 0.05 H new ATOM 0 HD11 ILE K 2 11.120 -12.426 -6.302 1.00 0.05 H new ATOM 0 HD12 ILE K 2 12.635 -13.165 -6.871 1.00 0.05 H new ATOM 0 HD13 ILE K 2 12.522 -11.399 -6.684 1.00 0.05 H new ATOM 3969 N VAL K 3 11.795 -9.543 -10.993 1.00 0.01 N ATOM 3970 CA VAL K 3 10.915 -8.351 -11.128 1.00 0.01 C ATOM 3971 C VAL K 3 10.221 -8.389 -12.485 1.00 0.01 C ATOM 3972 O VAL K 3 9.012 -8.460 -12.578 1.00 0.01 O ATOM 3973 CB VAL K 3 11.744 -7.066 -11.021 1.00 0.01 C ATOM 3974 CG1 VAL K 3 10.809 -5.909 -10.691 1.00 0.01 C ATOM 3975 CG2 VAL K 3 12.791 -7.192 -9.906 1.00 0.01 C ATOM 0 H VAL K 3 12.794 -9.344 -10.950 1.00 0.01 H new ATOM 0 HA VAL K 3 10.174 -8.364 -10.329 1.00 0.01 H new ATOM 0 HB VAL K 3 12.256 -6.891 -11.967 1.00 0.01 H new ATOM 0 HG11 VAL K 3 11.385 -4.987 -10.612 1.00 0.01 H new ATOM 0 HG12 VAL K 3 10.065 -5.805 -11.481 1.00 0.01 H new ATOM 0 HG13 VAL K 3 10.307 -6.106 -9.744 1.00 0.01 H new ATOM 0 HG21 VAL K 3 13.370 -6.271 -9.845 1.00 0.01 H new ATOM 0 HG22 VAL K 3 12.290 -7.370 -8.955 1.00 0.01 H new ATOM 0 HG23 VAL K 3 13.458 -8.026 -10.126 1.00 0.01 H new ATOM 3985 N GLU K 4 10.977 -8.347 -13.542 1.00 0.46 N ATOM 3986 CA GLU K 4 10.367 -8.382 -14.898 1.00 0.46 C ATOM 3987 C GLU K 4 9.544 -9.666 -15.080 1.00 0.46 C ATOM 3988 O GLU K 4 8.729 -9.766 -15.975 1.00 0.46 O ATOM 3989 CB GLU K 4 11.482 -8.349 -15.942 1.00 0.46 C ATOM 3990 CG GLU K 4 11.015 -7.559 -17.163 1.00 0.46 C ATOM 3991 CD GLU K 4 11.505 -8.259 -18.433 1.00 0.46 C ATOM 3992 OE1 GLU K 4 12.622 -8.755 -18.418 1.00 0.46 O ATOM 3993 OE2 GLU K 4 10.754 -8.287 -19.397 1.00 0.46 O ATOM 0 H GLU K 4 11.995 -8.290 -13.526 1.00 0.46 H new ATOM 0 HA GLU K 4 9.709 -7.521 -15.018 1.00 0.46 H new ATOM 0 HB2 GLU K 4 12.376 -7.891 -15.520 1.00 0.46 H new ATOM 0 HB3 GLU K 4 11.751 -9.364 -16.234 1.00 0.46 H new ATOM 0 HG2 GLU K 4 9.927 -7.486 -17.170 1.00 0.46 H new ATOM 0 HG3 GLU K 4 11.402 -6.541 -17.122 1.00 0.46 H new ATOM 4000 N GLN K 5 9.758 -10.654 -14.256 1.00 0.24 N ATOM 4001 CA GLN K 5 9.001 -11.927 -14.402 1.00 0.24 C ATOM 4002 C GLN K 5 7.671 -11.852 -13.639 1.00 0.24 C ATOM 4003 O GLN K 5 6.679 -12.413 -14.058 1.00 0.24 O ATOM 4004 CB GLN K 5 9.851 -13.065 -13.829 1.00 0.24 C ATOM 4005 CG GLN K 5 9.093 -14.391 -13.928 1.00 0.24 C ATOM 4006 CD GLN K 5 9.879 -15.476 -13.194 1.00 0.24 C ATOM 4007 OE1 GLN K 5 9.287 -16.180 -12.268 1.00 0.24 O flip ATOM 4008 NE2 GLN K 5 11.044 -15.687 -13.465 1.00 0.24 N flip ATOM 0 H GLN K 5 10.427 -10.634 -13.486 1.00 0.24 H new ATOM 0 HA GLN K 5 8.786 -12.102 -15.456 1.00 0.24 H new ATOM 0 HB2 GLN K 5 10.793 -13.135 -14.373 1.00 0.24 H new ATOM 0 HB3 GLN K 5 10.098 -12.856 -12.788 1.00 0.24 H new ATOM 0 HG2 GLN K 5 8.099 -14.288 -13.493 1.00 0.24 H new ATOM 0 HG3 GLN K 5 8.957 -14.668 -14.973 1.00 0.24 H new ATOM 0 HE21 GLN K 5 11.507 -15.137 -14.189 1.00 0.24 H new ATOM 0 HE22 GLN K 5 11.559 -16.414 -12.969 1.00 0.24 H new ATOM 4017 N CYS K 6 7.645 -11.188 -12.516 1.00 0.01 N ATOM 4018 CA CYS K 6 6.378 -11.119 -11.732 1.00 0.01 C ATOM 4019 C CYS K 6 5.706 -9.759 -11.898 1.00 0.01 C ATOM 4020 O CYS K 6 4.508 -9.638 -11.721 1.00 0.01 O ATOM 4021 CB CYS K 6 6.685 -11.365 -10.254 1.00 0.01 C ATOM 4022 SG CYS K 6 7.571 -12.936 -10.075 1.00 0.01 S ATOM 0 H CYS K 6 8.439 -10.694 -12.109 1.00 0.01 H new ATOM 0 HA CYS K 6 5.696 -11.884 -12.103 1.00 0.01 H new ATOM 0 HB2 CYS K 6 7.287 -10.548 -9.856 1.00 0.01 H new ATOM 0 HB3 CYS K 6 5.760 -11.389 -9.678 1.00 0.01 H new ATOM 4027 N CYS K 7 6.442 -8.740 -12.241 1.00 0.06 N ATOM 4028 CA CYS K 7 5.805 -7.405 -12.423 1.00 0.06 C ATOM 4029 C CYS K 7 5.054 -7.350 -13.768 1.00 0.06 C ATOM 4030 O CYS K 7 4.434 -6.355 -14.089 1.00 0.06 O ATOM 4031 CB CYS K 7 6.872 -6.312 -12.384 1.00 0.06 C ATOM 4032 SG CYS K 7 6.068 -4.691 -12.442 1.00 0.06 S ATOM 0 H CYS K 7 7.449 -8.771 -12.402 1.00 0.06 H new ATOM 0 HA CYS K 7 5.092 -7.243 -11.614 1.00 0.06 H new ATOM 0 HB2 CYS K 7 7.469 -6.403 -11.477 1.00 0.06 H new ATOM 0 HB3 CYS K 7 7.554 -6.423 -13.227 1.00 0.06 H new ATOM 4037 N THR K 8 5.086 -8.398 -14.559 1.00 0.25 N ATOM 4038 CA THR K 8 4.360 -8.365 -15.856 1.00 0.25 C ATOM 4039 C THR K 8 2.912 -8.799 -15.633 1.00 0.25 C ATOM 4040 O THR K 8 1.984 -8.135 -16.046 1.00 0.25 O ATOM 4041 CB THR K 8 5.034 -9.320 -16.842 1.00 0.25 C ATOM 4042 OG1 THR K 8 5.291 -10.558 -16.197 1.00 0.25 O ATOM 4043 CG2 THR K 8 6.353 -8.714 -17.324 1.00 0.25 C ATOM 0 H THR K 8 5.582 -9.266 -14.358 1.00 0.25 H new ATOM 0 HA THR K 8 4.380 -7.354 -16.262 1.00 0.25 H new ATOM 0 HB THR K 8 4.377 -9.482 -17.697 1.00 0.25 H new ATOM 0 HG1 THR K 8 5.722 -11.172 -16.828 1.00 0.25 H new ATOM 0 HG21 THR K 8 6.832 -9.396 -18.027 1.00 0.25 H new ATOM 0 HG22 THR K 8 6.157 -7.763 -17.818 1.00 0.25 H new ATOM 0 HG23 THR K 8 7.012 -8.551 -16.471 1.00 0.25 H new ATOM 4051 N SER K 9 2.710 -9.910 -14.980 1.00 0.30 N ATOM 4052 CA SER K 9 1.320 -10.382 -14.731 1.00 0.30 C ATOM 4053 C SER K 9 1.295 -11.281 -13.493 1.00 0.30 C ATOM 4054 O SER K 9 0.562 -12.247 -13.439 1.00 0.30 O ATOM 4055 CB SER K 9 0.828 -11.169 -15.942 1.00 0.30 C ATOM 4056 OG SER K 9 1.016 -10.387 -17.114 1.00 0.30 O ATOM 0 H SER K 9 3.446 -10.510 -14.609 1.00 0.30 H new ATOM 0 HA SER K 9 0.670 -9.523 -14.565 1.00 0.30 H new ATOM 0 HB2 SER K 9 1.373 -12.109 -16.026 1.00 0.30 H new ATOM 0 HB3 SER K 9 -0.226 -11.421 -15.823 1.00 0.30 H new ATOM 0 HG SER K 9 1.078 -9.440 -16.869 1.00 0.30 H new ATOM 4062 N ILE K 10 2.089 -10.960 -12.503 1.00 0.11 N ATOM 4063 CA ILE K 10 2.128 -11.770 -11.246 1.00 0.11 C ATOM 4064 C ILE K 10 2.650 -13.192 -11.529 1.00 0.11 C ATOM 4065 O ILE K 10 2.304 -13.823 -12.507 1.00 0.11 O ATOM 4066 CB ILE K 10 0.718 -11.787 -10.603 1.00 0.11 C ATOM 4067 CG1 ILE K 10 0.437 -10.397 -10.031 1.00 0.11 C ATOM 4068 CG2 ILE K 10 0.631 -12.809 -9.456 1.00 0.11 C ATOM 4069 CD1 ILE K 10 -0.152 -9.503 -11.120 1.00 0.11 C ATOM 0 H ILE K 10 2.721 -10.160 -12.512 1.00 0.11 H new ATOM 0 HA ILE K 10 2.821 -11.315 -10.539 1.00 0.11 H new ATOM 0 HB ILE K 10 -0.008 -12.064 -11.367 1.00 0.11 H new ATOM 0 HG12 ILE K 10 -0.256 -10.471 -9.193 1.00 0.11 H new ATOM 0 HG13 ILE K 10 1.357 -9.959 -9.645 1.00 0.11 H new ATOM 0 HG21 ILE K 10 -0.372 -12.793 -9.029 1.00 0.11 H new ATOM 0 HG22 ILE K 10 0.846 -13.806 -9.840 1.00 0.11 H new ATOM 0 HG23 ILE K 10 1.357 -12.553 -8.685 1.00 0.11 H new ATOM 0 HD11 ILE K 10 -0.351 -8.513 -10.710 1.00 0.11 H new ATOM 0 HD12 ILE K 10 0.557 -9.418 -11.944 1.00 0.11 H new ATOM 0 HD13 ILE K 10 -1.082 -9.939 -11.485 1.00 0.11 H new ATOM 4081 N CYS K 11 3.480 -13.689 -10.645 1.00 0.05 N ATOM 4082 CA CYS K 11 4.044 -15.059 -10.799 1.00 0.05 C ATOM 4083 C CYS K 11 3.184 -16.043 -10.007 1.00 0.05 C ATOM 4084 O CYS K 11 2.284 -15.656 -9.290 1.00 0.05 O ATOM 4085 CB CYS K 11 5.464 -15.094 -10.224 1.00 0.05 C ATOM 4086 SG CYS K 11 6.603 -14.209 -11.311 1.00 0.05 S ATOM 0 H CYS K 11 3.793 -13.192 -9.811 1.00 0.05 H new ATOM 0 HA CYS K 11 4.060 -15.327 -11.855 1.00 0.05 H new ATOM 0 HB2 CYS K 11 5.473 -14.643 -9.232 1.00 0.05 H new ATOM 0 HB3 CYS K 11 5.791 -16.127 -10.107 1.00 0.05 H new ATOM 4091 N SER K 12 3.464 -17.315 -10.115 1.00 0.27 N ATOM 4092 CA SER K 12 2.669 -18.317 -9.352 1.00 0.27 C ATOM 4093 C SER K 12 3.229 -18.425 -7.934 1.00 0.27 C ATOM 4094 O SER K 12 4.317 -17.966 -7.647 1.00 0.27 O ATOM 4095 CB SER K 12 2.755 -19.679 -10.042 1.00 0.27 C ATOM 4096 OG SER K 12 2.381 -19.538 -11.405 1.00 0.27 O ATOM 0 H SER K 12 4.207 -17.701 -10.697 1.00 0.27 H new ATOM 0 HA SER K 12 1.626 -18.002 -9.313 1.00 0.27 H new ATOM 0 HB2 SER K 12 3.769 -20.073 -9.970 1.00 0.27 H new ATOM 0 HB3 SER K 12 2.099 -20.394 -9.545 1.00 0.27 H new ATOM 0 HG SER K 12 2.437 -20.409 -11.851 1.00 0.27 H new ATOM 4102 N LEU K 13 2.491 -19.020 -7.042 1.00 0.30 N ATOM 4103 CA LEU K 13 2.972 -19.151 -5.638 1.00 0.30 C ATOM 4104 C LEU K 13 4.297 -19.921 -5.599 1.00 0.30 C ATOM 4105 O LEU K 13 5.203 -19.575 -4.868 1.00 0.30 O ATOM 4106 CB LEU K 13 1.924 -19.901 -4.818 1.00 0.30 C ATOM 4107 CG LEU K 13 2.236 -19.749 -3.330 1.00 0.30 C ATOM 4108 CD1 LEU K 13 0.931 -19.611 -2.545 1.00 0.30 C ATOM 4109 CD2 LEU K 13 2.991 -20.986 -2.843 1.00 0.30 C ATOM 0 H LEU K 13 1.572 -19.423 -7.224 1.00 0.30 H new ATOM 0 HA LEU K 13 3.131 -18.157 -5.221 1.00 0.30 H new ATOM 0 HB2 LEU K 13 0.930 -19.510 -5.034 1.00 0.30 H new ATOM 0 HB3 LEU K 13 1.918 -20.956 -5.093 1.00 0.30 H new ATOM 0 HG LEU K 13 2.848 -18.860 -3.176 1.00 0.30 H new ATOM 0 HD11 LEU K 13 1.155 -19.503 -1.484 1.00 0.30 H new ATOM 0 HD12 LEU K 13 0.388 -18.732 -2.893 1.00 0.30 H new ATOM 0 HD13 LEU K 13 0.319 -20.500 -2.698 1.00 0.30 H new ATOM 0 HD21 LEU K 13 3.215 -20.881 -1.782 1.00 0.30 H new ATOM 0 HD22 LEU K 13 2.376 -21.872 -2.998 1.00 0.30 H new ATOM 0 HD23 LEU K 13 3.921 -21.088 -3.402 1.00 0.30 H new ATOM 4121 N TYR K 14 4.416 -20.969 -6.367 1.00 0.51 N ATOM 4122 CA TYR K 14 5.681 -21.763 -6.355 1.00 0.51 C ATOM 4123 C TYR K 14 6.821 -20.943 -6.959 1.00 0.51 C ATOM 4124 O TYR K 14 7.942 -20.987 -6.492 1.00 0.51 O ATOM 4125 CB TYR K 14 5.488 -23.042 -7.173 1.00 0.51 C ATOM 4126 CG TYR K 14 4.395 -23.866 -6.544 1.00 0.51 C ATOM 4127 CD1 TYR K 14 4.667 -24.629 -5.337 1.00 0.51 C ATOM 4128 CD2 TYR K 14 3.069 -23.887 -7.138 1.00 0.51 C ATOM 4129 CE1 TYR K 14 3.609 -25.416 -4.721 1.00 0.51 C ATOM 4130 CE2 TYR K 14 2.011 -24.675 -6.524 1.00 0.51 C ATOM 4131 CZ TYR K 14 2.281 -25.438 -5.314 1.00 0.51 C ATOM 4132 OH TYR K 14 1.276 -26.184 -4.729 1.00 0.51 O ATOM 0 H TYR K 14 3.694 -21.311 -7.002 1.00 0.51 H new ATOM 0 HA TYR K 14 5.931 -22.018 -5.325 1.00 0.51 H new ATOM 0 HB2 TYR K 14 5.228 -22.795 -8.202 1.00 0.51 H new ATOM 0 HB3 TYR K 14 6.417 -23.611 -7.206 1.00 0.51 H new ATOM 0 HD1 TYR K 14 5.653 -24.612 -4.898 1.00 0.51 H new ATOM 0 HD2 TYR K 14 2.869 -23.318 -8.034 1.00 0.51 H new ATOM 0 HE1 TYR K 14 3.810 -25.983 -3.824 1.00 0.51 H new ATOM 0 HE2 TYR K 14 1.026 -24.694 -6.966 1.00 0.51 H new ATOM 0 HH TYR K 14 0.452 -26.088 -5.250 1.00 0.51 H new ATOM 4142 N GLN K 15 6.553 -20.205 -7.998 1.00 0.22 N ATOM 4143 CA GLN K 15 7.632 -19.396 -8.628 1.00 0.22 C ATOM 4144 C GLN K 15 8.235 -18.444 -7.594 1.00 0.22 C ATOM 4145 O GLN K 15 9.410 -18.139 -7.630 1.00 0.22 O ATOM 4146 CB GLN K 15 7.051 -18.590 -9.787 1.00 0.22 C ATOM 4147 CG GLN K 15 6.898 -19.498 -11.006 1.00 0.22 C ATOM 4148 CD GLN K 15 6.565 -18.649 -12.231 1.00 0.22 C ATOM 4149 OE1 GLN K 15 5.375 -18.732 -12.763 1.00 0.22 O flip ATOM 4150 NE2 GLN K 15 7.393 -17.900 -12.709 1.00 0.22 N flip ATOM 0 H GLN K 15 5.636 -20.127 -8.438 1.00 0.22 H new ATOM 0 HA GLN K 15 8.411 -20.061 -9.001 1.00 0.22 H new ATOM 0 HB2 GLN K 15 6.084 -18.173 -9.506 1.00 0.22 H new ATOM 0 HB3 GLN K 15 7.704 -17.750 -10.024 1.00 0.22 H new ATOM 0 HG2 GLN K 15 7.819 -20.056 -11.176 1.00 0.22 H new ATOM 0 HG3 GLN K 15 6.109 -20.230 -10.832 1.00 0.22 H new ATOM 0 HE21 GLN K 15 8.322 -17.835 -12.294 1.00 0.22 H new ATOM 0 HE22 GLN K 15 7.159 -17.336 -13.526 1.00 0.22 H new ATOM 4159 N LEU K 16 7.441 -17.967 -6.675 1.00 0.01 N ATOM 4160 CA LEU K 16 7.974 -17.031 -5.644 1.00 0.01 C ATOM 4161 C LEU K 16 8.858 -17.802 -4.664 1.00 0.01 C ATOM 4162 O LEU K 16 9.788 -17.265 -4.095 1.00 0.01 O ATOM 4163 CB LEU K 16 6.808 -16.393 -4.884 1.00 0.01 C ATOM 4164 CG LEU K 16 5.973 -15.544 -5.843 1.00 0.01 C ATOM 4165 CD1 LEU K 16 4.813 -14.900 -5.078 1.00 0.01 C ATOM 4166 CD2 LEU K 16 6.851 -14.449 -6.451 1.00 0.01 C ATOM 0 H LEU K 16 6.448 -18.184 -6.593 1.00 0.01 H new ATOM 0 HA LEU K 16 8.562 -16.252 -6.129 1.00 0.01 H new ATOM 0 HB2 LEU K 16 6.187 -17.168 -4.434 1.00 0.01 H new ATOM 0 HB3 LEU K 16 7.186 -15.774 -4.070 1.00 0.01 H new ATOM 0 HG LEU K 16 5.578 -16.177 -6.637 1.00 0.01 H new ATOM 0 HD11 LEU K 16 4.218 -14.295 -5.762 1.00 0.01 H new ATOM 0 HD12 LEU K 16 4.186 -15.679 -4.644 1.00 0.01 H new ATOM 0 HD13 LEU K 16 5.208 -14.267 -4.283 1.00 0.01 H new ATOM 0 HD21 LEU K 16 6.256 -13.843 -7.135 1.00 0.01 H new ATOM 0 HD22 LEU K 16 7.246 -13.816 -5.656 1.00 0.01 H new ATOM 0 HD23 LEU K 16 7.677 -14.906 -6.996 1.00 0.01 H new ATOM 4178 N GLU K 17 8.574 -19.058 -4.459 1.00 0.26 N ATOM 4179 CA GLU K 17 9.392 -19.867 -3.513 1.00 0.26 C ATOM 4180 C GLU K 17 10.833 -19.952 -4.013 1.00 0.26 C ATOM 4181 O GLU K 17 11.764 -20.040 -3.238 1.00 0.26 O ATOM 4182 CB GLU K 17 8.807 -21.273 -3.415 1.00 0.26 C ATOM 4183 CG GLU K 17 7.860 -21.345 -2.219 1.00 0.26 C ATOM 4184 CD GLU K 17 8.069 -22.670 -1.486 1.00 0.26 C ATOM 4185 OE1 GLU K 17 7.818 -23.703 -2.088 1.00 0.26 O ATOM 4186 OE2 GLU K 17 8.479 -22.631 -0.336 1.00 0.26 O ATOM 0 H GLU K 17 7.808 -19.561 -4.907 1.00 0.26 H new ATOM 0 HA GLU K 17 9.380 -19.393 -2.532 1.00 0.26 H new ATOM 0 HB2 GLU K 17 8.272 -21.521 -4.332 1.00 0.26 H new ATOM 0 HB3 GLU K 17 9.607 -22.005 -3.304 1.00 0.26 H new ATOM 0 HG2 GLU K 17 8.045 -20.510 -1.544 1.00 0.26 H new ATOM 0 HG3 GLU K 17 6.826 -21.261 -2.554 1.00 0.26 H new ATOM 4193 N ASN K 18 11.028 -19.932 -5.303 1.00 0.42 N ATOM 4194 CA ASN K 18 12.414 -20.015 -5.843 1.00 0.42 C ATOM 4195 C ASN K 18 13.243 -18.852 -5.298 1.00 0.42 C ATOM 4196 O ASN K 18 14.444 -18.950 -5.154 1.00 0.42 O ATOM 4197 CB ASN K 18 12.377 -19.939 -7.370 1.00 0.42 C ATOM 4198 CG ASN K 18 11.411 -20.993 -7.910 1.00 0.42 C ATOM 4199 OD1 ASN K 18 11.245 -22.042 -7.318 1.00 0.42 O ATOM 4200 ND2 ASN K 18 10.761 -20.756 -9.015 1.00 0.42 N ATOM 0 H ASN K 18 10.290 -19.862 -6.004 1.00 0.42 H new ATOM 0 HA ASN K 18 12.864 -20.960 -5.538 1.00 0.42 H new ATOM 0 HB2 ASN K 18 12.062 -18.945 -7.688 1.00 0.42 H new ATOM 0 HB3 ASN K 18 13.375 -20.102 -7.777 1.00 0.42 H new ATOM 0 HD21 ASN K 18 10.112 -21.451 -9.384 1.00 0.42 H new ATOM 0 HD22 ASN K 18 10.901 -19.876 -9.510 1.00 0.42 H new ATOM 4207 N TYR K 19 12.613 -17.750 -4.993 1.00 0.11 N ATOM 4208 CA TYR K 19 13.375 -16.586 -4.458 1.00 0.11 C ATOM 4209 C TYR K 19 13.302 -16.561 -2.925 1.00 0.11 C ATOM 4210 O TYR K 19 13.634 -15.572 -2.304 1.00 0.11 O ATOM 4211 CB TYR K 19 12.773 -15.290 -5.004 1.00 0.11 C ATOM 4212 CG TYR K 19 12.593 -15.399 -6.499 1.00 0.11 C ATOM 4213 CD1 TYR K 19 13.753 -15.357 -7.377 1.00 0.11 C ATOM 4214 CD2 TYR K 19 11.260 -15.540 -7.062 1.00 0.11 C ATOM 4215 CE1 TYR K 19 13.578 -15.455 -8.818 1.00 0.11 C ATOM 4216 CE2 TYR K 19 11.086 -15.640 -8.502 1.00 0.11 C ATOM 4217 CZ TYR K 19 12.245 -15.596 -9.380 1.00 0.11 C ATOM 4218 OH TYR K 19 12.078 -15.689 -10.747 1.00 0.11 O ATOM 0 H TYR K 19 11.608 -17.606 -5.091 1.00 0.11 H new ATOM 0 HA TYR K 19 14.416 -16.676 -4.767 1.00 0.11 H new ATOM 0 HB2 TYR K 19 11.813 -15.095 -4.526 1.00 0.11 H new ATOM 0 HB3 TYR K 19 13.424 -14.448 -4.767 1.00 0.11 H new ATOM 0 HD1 TYR K 19 14.743 -15.253 -6.959 1.00 0.11 H new ATOM 0 HD2 TYR K 19 10.399 -15.570 -6.411 1.00 0.11 H new ATOM 0 HE1 TYR K 19 14.438 -15.423 -9.470 1.00 0.11 H new ATOM 0 HE2 TYR K 19 10.096 -15.747 -8.920 1.00 0.11 H new ATOM 0 HH TYR K 19 12.530 -14.937 -11.184 1.00 0.11 H new ATOM 4228 N CYS K 20 12.867 -17.627 -2.303 1.00 0.05 N ATOM 4229 CA CYS K 20 12.776 -17.628 -0.818 1.00 0.05 C ATOM 4230 C CYS K 20 14.138 -17.972 -0.221 1.00 0.05 C ATOM 4231 O CYS K 20 14.970 -18.587 -0.857 1.00 0.05 O ATOM 4232 CB CYS K 20 11.745 -18.666 -0.377 1.00 0.05 C ATOM 4233 SG CYS K 20 11.142 -18.251 1.277 1.00 0.05 S ATOM 0 H CYS K 20 12.573 -18.491 -2.759 1.00 0.05 H new ATOM 0 HA CYS K 20 12.472 -16.641 -0.470 1.00 0.05 H new ATOM 0 HB2 CYS K 20 10.915 -18.692 -1.083 1.00 0.05 H new ATOM 0 HB3 CYS K 20 12.192 -19.660 -0.374 1.00 0.05 H new ATOM 4238 N ASN K 21 14.370 -17.580 0.999 1.00 0.41 N ATOM 4239 CA ASN K 21 15.678 -17.880 1.640 1.00 0.41 C ATOM 4240 C ASN K 21 15.580 -19.204 2.399 1.00 0.41 C ATOM 4241 O ASN K 21 15.387 -19.160 3.603 1.00 0.41 O ATOM 4242 CB ASN K 21 16.032 -16.757 2.613 1.00 0.41 C ATOM 4243 CG ASN K 21 17.537 -16.763 2.868 1.00 0.41 C ATOM 4244 OD1 ASN K 21 18.263 -15.962 2.312 1.00 0.41 O ATOM 4245 ND2 ASN K 21 18.042 -17.644 3.690 1.00 0.41 N ATOM 4246 OXT ASN K 21 15.700 -20.239 1.764 1.00 0.41 O ATOM 0 H ASN K 21 13.709 -17.064 1.580 1.00 0.41 H new ATOM 0 HA ASN K 21 16.452 -17.957 0.876 1.00 0.41 H new ATOM 0 HB2 ASN K 21 15.725 -15.795 2.202 1.00 0.41 H new ATOM 0 HB3 ASN K 21 15.493 -16.890 3.551 1.00 0.41 H new ATOM 0 HD21 ASN K 21 19.047 -17.660 3.866 1.00 0.41 H new ATOM 0 HD22 ASN K 21 17.432 -18.315 4.156 1.00 0.41 H new TER 4253 ASN K 21 ATOM 4254 N PHE L 1 0.969 4.676 -14.310 1.00 0.42 N ATOM 4255 CA PHE L 1 1.775 3.624 -14.992 1.00 0.42 C ATOM 4256 C PHE L 1 3.013 3.300 -14.143 1.00 0.42 C ATOM 4257 O PHE L 1 3.418 2.161 -14.038 1.00 0.42 O ATOM 4258 CB PHE L 1 2.207 4.135 -16.371 1.00 0.42 C ATOM 4259 CG PHE L 1 3.050 3.087 -17.058 1.00 0.42 C ATOM 4260 CD1 PHE L 1 2.600 1.705 -17.091 1.00 0.42 C ATOM 4261 CD2 PHE L 1 4.312 3.456 -17.675 1.00 0.42 C ATOM 4262 CE1 PHE L 1 3.415 0.690 -17.742 1.00 0.42 C ATOM 4263 CE2 PHE L 1 5.127 2.443 -18.328 1.00 0.42 C ATOM 4264 CZ PHE L 1 4.678 1.059 -18.361 1.00 0.42 C ATOM 0 H1 PHE L 1 0.059 4.788 -14.800 1.00 0.42 H new ATOM 0 H2 PHE L 1 0.798 4.397 -13.323 1.00 0.42 H new ATOM 0 H3 PHE L 1 1.487 5.578 -14.330 1.00 0.42 H new ATOM 0 HA PHE L 1 1.178 2.720 -15.113 1.00 0.42 H new ATOM 0 HB2 PHE L 1 1.330 4.365 -16.976 1.00 0.42 H new ATOM 0 HB3 PHE L 1 2.773 5.060 -16.266 1.00 0.42 H new ATOM 0 HD1 PHE L 1 1.661 1.432 -16.633 1.00 0.42 H new ATOM 0 HD2 PHE L 1 4.646 4.483 -17.649 1.00 0.42 H new ATOM 0 HE1 PHE L 1 3.082 -0.337 -17.765 1.00 0.42 H new ATOM 0 HE2 PHE L 1 6.065 2.718 -18.788 1.00 0.42 H new ATOM 0 HZ PHE L 1 5.283 0.306 -18.845 1.00 0.42 H new ATOM 4276 N VAL L 2 3.609 4.302 -13.545 1.00 0.12 N ATOM 4277 CA VAL L 2 4.828 4.097 -12.690 1.00 0.12 C ATOM 4278 C VAL L 2 5.819 3.119 -13.349 1.00 0.12 C ATOM 4279 O VAL L 2 5.809 2.921 -14.547 1.00 0.12 O ATOM 4280 CB VAL L 2 4.407 3.587 -11.303 1.00 0.12 C ATOM 4281 CG1 VAL L 2 3.316 4.500 -10.744 1.00 0.12 C ATOM 4282 CG2 VAL L 2 3.866 2.158 -11.399 1.00 0.12 C ATOM 0 H VAL L 2 3.299 5.272 -13.612 1.00 0.12 H new ATOM 0 HA VAL L 2 5.337 5.055 -12.582 1.00 0.12 H new ATOM 0 HB VAL L 2 5.276 3.592 -10.646 1.00 0.12 H new ATOM 0 HG11 VAL L 2 3.012 4.144 -9.760 1.00 0.12 H new ATOM 0 HG12 VAL L 2 3.700 5.517 -10.659 1.00 0.12 H new ATOM 0 HG13 VAL L 2 2.456 4.492 -11.414 1.00 0.12 H new ATOM 0 HG21 VAL L 2 3.573 1.813 -10.408 1.00 0.12 H new ATOM 0 HG22 VAL L 2 3.000 2.141 -12.060 1.00 0.12 H new ATOM 0 HG23 VAL L 2 4.640 1.502 -11.797 1.00 0.12 H new ATOM 4292 N ASN L 3 6.685 2.527 -12.572 1.00 0.26 N ATOM 4293 CA ASN L 3 7.687 1.590 -13.145 1.00 0.26 C ATOM 4294 C ASN L 3 8.104 0.569 -12.083 1.00 0.26 C ATOM 4295 O ASN L 3 7.549 0.514 -11.004 1.00 0.26 O ATOM 4296 CB ASN L 3 8.915 2.394 -13.574 1.00 0.26 C ATOM 4297 CG ASN L 3 9.567 1.739 -14.791 1.00 0.26 C ATOM 4298 OD1 ASN L 3 10.718 1.352 -14.740 1.00 0.26 O ATOM 4299 ND2 ASN L 3 8.874 1.595 -15.889 1.00 0.26 N ATOM 0 H ASN L 3 6.740 2.654 -11.561 1.00 0.26 H new ATOM 0 HA ASN L 3 7.258 1.067 -13.999 1.00 0.26 H new ATOM 0 HB2 ASN L 3 8.625 3.417 -13.813 1.00 0.26 H new ATOM 0 HB3 ASN L 3 9.630 2.448 -12.753 1.00 0.26 H new ATOM 0 HD21 ASN L 3 9.299 1.157 -16.706 1.00 0.26 H new ATOM 0 HD22 ASN L 3 7.908 1.921 -15.929 1.00 0.26 H new ATOM 4306 N GLN L 4 9.096 -0.228 -12.383 1.00 0.20 N ATOM 4307 CA GLN L 4 9.587 -1.241 -11.407 1.00 0.20 C ATOM 4308 C GLN L 4 9.901 -0.552 -10.068 1.00 0.20 C ATOM 4309 O GLN L 4 9.725 -1.118 -9.008 1.00 0.20 O ATOM 4310 CB GLN L 4 10.862 -1.881 -11.985 1.00 0.20 C ATOM 4311 CG GLN L 4 11.515 -2.815 -10.962 1.00 0.20 C ATOM 4312 CD GLN L 4 12.619 -3.627 -11.642 1.00 0.20 C ATOM 4313 OE1 GLN L 4 13.751 -3.626 -11.196 1.00 0.20 O ATOM 4314 NE2 GLN L 4 12.338 -4.322 -12.713 1.00 0.20 N ATOM 0 H GLN L 4 9.592 -0.219 -13.274 1.00 0.20 H new ATOM 0 HA GLN L 4 8.831 -2.007 -11.235 1.00 0.20 H new ATOM 0 HB2 GLN L 4 10.616 -2.439 -12.889 1.00 0.20 H new ATOM 0 HB3 GLN L 4 11.567 -1.101 -12.274 1.00 0.20 H new ATOM 0 HG2 GLN L 4 11.931 -2.235 -10.138 1.00 0.20 H new ATOM 0 HG3 GLN L 4 10.767 -3.484 -10.536 1.00 0.20 H new ATOM 0 HE21 GLN L 4 11.389 -4.322 -13.086 1.00 0.20 H new ATOM 0 HE22 GLN L 4 13.068 -4.864 -13.175 1.00 0.20 H new ATOM 4323 N HIS L 5 10.381 0.659 -10.120 1.00 0.14 N ATOM 4324 CA HIS L 5 10.728 1.387 -8.868 1.00 0.14 C ATOM 4325 C HIS L 5 9.540 1.388 -7.899 1.00 0.14 C ATOM 4326 O HIS L 5 9.706 1.578 -6.714 1.00 0.14 O ATOM 4327 CB HIS L 5 11.115 2.823 -9.215 1.00 0.14 C ATOM 4328 CG HIS L 5 11.886 3.419 -8.074 1.00 0.14 C ATOM 4329 ND1 HIS L 5 13.149 2.975 -7.724 1.00 0.14 N ATOM 4330 CD2 HIS L 5 11.583 4.425 -7.193 1.00 0.14 C ATOM 4331 CE1 HIS L 5 13.557 3.706 -6.672 1.00 0.14 C ATOM 4332 NE2 HIS L 5 12.640 4.606 -6.309 1.00 0.14 N ATOM 0 H HIS L 5 10.549 1.179 -10.981 1.00 0.14 H new ATOM 0 HA HIS L 5 11.566 0.885 -8.384 1.00 0.14 H new ATOM 0 HB2 HIS L 5 11.717 2.840 -10.124 1.00 0.14 H new ATOM 0 HB3 HIS L 5 10.221 3.415 -9.413 1.00 0.14 H new ATOM 0 HD1 HIS L 5 13.674 2.229 -8.181 1.00 0.14 H new ATOM 0 HD2 HIS L 5 10.663 4.991 -7.187 1.00 0.14 H new ATOM 0 HE1 HIS L 5 14.510 3.580 -6.180 1.00 0.14 H new ATOM 4340 N LEU L 6 8.344 1.194 -8.390 1.00 0.06 N ATOM 4341 CA LEU L 6 7.156 1.187 -7.484 1.00 0.06 C ATOM 4342 C LEU L 6 6.464 -0.184 -7.542 1.00 0.06 C ATOM 4343 O LEU L 6 5.843 -0.616 -6.592 1.00 0.06 O ATOM 4344 CB LEU L 6 6.172 2.267 -7.930 1.00 0.06 C ATOM 4345 CG LEU L 6 6.646 3.631 -7.432 1.00 0.06 C ATOM 4346 CD1 LEU L 6 5.667 4.711 -7.895 1.00 0.06 C ATOM 4347 CD2 LEU L 6 6.704 3.623 -5.904 1.00 0.06 C ATOM 0 H LEU L 6 8.138 1.040 -9.377 1.00 0.06 H new ATOM 0 HA LEU L 6 7.482 1.384 -6.463 1.00 0.06 H new ATOM 0 HB2 LEU L 6 6.092 2.273 -9.017 1.00 0.06 H new ATOM 0 HB3 LEU L 6 5.178 2.051 -7.538 1.00 0.06 H new ATOM 0 HG LEU L 6 7.637 3.840 -7.834 1.00 0.06 H new ATOM 0 HD11 LEU L 6 6.005 5.685 -7.540 1.00 0.06 H new ATOM 0 HD12 LEU L 6 5.621 4.718 -8.984 1.00 0.06 H new ATOM 0 HD13 LEU L 6 4.676 4.501 -7.491 1.00 0.06 H new ATOM 0 HD21 LEU L 6 7.042 4.596 -5.548 1.00 0.06 H new ATOM 0 HD22 LEU L 6 5.712 3.415 -5.503 1.00 0.06 H new ATOM 0 HD23 LEU L 6 7.399 2.853 -5.570 1.00 0.06 H new ATOM 4359 N CYS L 7 6.561 -0.861 -8.653 1.00 0.04 N ATOM 4360 CA CYS L 7 5.916 -2.195 -8.799 1.00 0.04 C ATOM 4361 C CYS L 7 6.593 -3.204 -7.861 1.00 0.04 C ATOM 4362 O CYS L 7 5.938 -3.971 -7.186 1.00 0.04 O ATOM 4363 CB CYS L 7 6.083 -2.628 -10.263 1.00 0.04 C ATOM 4364 SG CYS L 7 5.497 -4.320 -10.538 1.00 0.04 S ATOM 0 H CYS L 7 7.068 -0.540 -9.478 1.00 0.04 H new ATOM 0 HA CYS L 7 4.859 -2.148 -8.537 1.00 0.04 H new ATOM 0 HB2 CYS L 7 5.533 -1.944 -10.909 1.00 0.04 H new ATOM 0 HB3 CYS L 7 7.134 -2.557 -10.545 1.00 0.04 H new ATOM 4369 N GLY L 8 7.898 -3.215 -7.825 1.00 0.00 N ATOM 4370 CA GLY L 8 8.620 -4.183 -6.947 1.00 0.00 C ATOM 4371 C GLY L 8 8.254 -3.954 -5.477 1.00 0.00 C ATOM 4372 O GLY L 8 8.247 -4.875 -4.685 1.00 0.00 O ATOM 0 H GLY L 8 8.498 -2.594 -8.367 1.00 0.00 H new ATOM 0 HA2 GLY L 8 8.367 -5.203 -7.236 1.00 0.00 H new ATOM 0 HA3 GLY L 8 9.696 -4.071 -7.081 1.00 0.00 H new ATOM 4376 N SER L 9 7.961 -2.739 -5.100 1.00 0.01 N ATOM 4377 CA SER L 9 7.608 -2.468 -3.675 1.00 0.01 C ATOM 4378 C SER L 9 6.435 -3.351 -3.251 1.00 0.01 C ATOM 4379 O SER L 9 6.240 -3.614 -2.081 1.00 0.01 O ATOM 4380 CB SER L 9 7.199 -0.997 -3.512 1.00 0.01 C ATOM 4381 OG SER L 9 5.855 -0.832 -3.947 1.00 0.01 O ATOM 0 H SER L 9 7.950 -1.924 -5.714 1.00 0.01 H new ATOM 0 HA SER L 9 8.477 -2.684 -3.053 1.00 0.01 H new ATOM 0 HB2 SER L 9 7.296 -0.694 -2.469 1.00 0.01 H new ATOM 0 HB3 SER L 9 7.863 -0.357 -4.093 1.00 0.01 H new ATOM 0 HG SER L 9 5.846 -0.395 -4.824 1.00 0.01 H new ATOM 4387 N HIS L 10 5.632 -3.789 -4.183 1.00 0.11 N ATOM 4388 CA HIS L 10 4.459 -4.622 -3.808 1.00 0.11 C ATOM 4389 C HIS L 10 4.717 -6.096 -4.120 1.00 0.11 C ATOM 4390 O HIS L 10 4.067 -6.968 -3.577 1.00 0.11 O ATOM 4391 CB HIS L 10 3.232 -4.118 -4.557 1.00 0.11 C ATOM 4392 CG HIS L 10 2.985 -2.696 -4.137 1.00 0.11 C ATOM 4393 ND1 HIS L 10 2.489 -2.373 -2.883 1.00 0.11 N ATOM 4394 CD2 HIS L 10 3.194 -1.502 -4.777 1.00 0.11 C ATOM 4395 CE1 HIS L 10 2.420 -1.031 -2.807 1.00 0.11 C ATOM 4396 NE2 HIS L 10 2.839 -0.451 -3.935 1.00 0.11 N ATOM 0 H HIS L 10 5.738 -3.606 -5.181 1.00 0.11 H new ATOM 0 HA HIS L 10 4.287 -4.539 -2.735 1.00 0.11 H new ATOM 0 HB2 HIS L 10 3.392 -4.175 -5.634 1.00 0.11 H new ATOM 0 HB3 HIS L 10 2.365 -4.739 -4.330 1.00 0.11 H new ATOM 0 HD1 HIS L 10 2.225 -3.033 -2.151 1.00 0.11 H new ATOM 0 HD2 HIS L 10 3.576 -1.393 -5.781 1.00 0.11 H new ATOM 0 HE1 HIS L 10 2.069 -0.490 -1.941 1.00 0.11 H new ATOM 4404 N LEU L 11 5.672 -6.392 -4.962 1.00 0.01 N ATOM 4405 CA LEU L 11 5.969 -7.823 -5.255 1.00 0.01 C ATOM 4406 C LEU L 11 6.594 -8.426 -4.000 1.00 0.01 C ATOM 4407 O LEU L 11 6.402 -9.583 -3.684 1.00 0.01 O ATOM 4408 CB LEU L 11 6.963 -7.943 -6.416 1.00 0.01 C ATOM 4409 CG LEU L 11 6.471 -7.147 -7.624 1.00 0.01 C ATOM 4410 CD1 LEU L 11 7.478 -7.287 -8.763 1.00 0.01 C ATOM 4411 CD2 LEU L 11 5.122 -7.687 -8.088 1.00 0.01 C ATOM 0 H LEU L 11 6.253 -5.713 -5.454 1.00 0.01 H new ATOM 0 HA LEU L 11 5.052 -8.343 -5.534 1.00 0.01 H new ATOM 0 HB2 LEU L 11 7.941 -7.576 -6.105 1.00 0.01 H new ATOM 0 HB3 LEU L 11 7.088 -8.991 -6.689 1.00 0.01 H new ATOM 0 HG LEU L 11 6.366 -6.099 -7.343 1.00 0.01 H new ATOM 0 HD11 LEU L 11 7.131 -6.721 -9.627 1.00 0.01 H new ATOM 0 HD12 LEU L 11 8.446 -6.902 -8.442 1.00 0.01 H new ATOM 0 HD13 LEU L 11 7.577 -8.338 -9.034 1.00 0.01 H new ATOM 0 HD21 LEU L 11 4.778 -7.115 -8.949 1.00 0.01 H new ATOM 0 HD22 LEU L 11 5.226 -8.735 -8.367 1.00 0.01 H new ATOM 0 HD23 LEU L 11 4.397 -7.597 -7.279 1.00 0.01 H new ATOM 4423 N VAL L 12 7.352 -7.636 -3.287 1.00 0.00 N ATOM 4424 CA VAL L 12 8.013 -8.131 -2.049 1.00 0.00 C ATOM 4425 C VAL L 12 6.961 -8.474 -0.991 1.00 0.00 C ATOM 4426 O VAL L 12 7.110 -9.416 -0.244 1.00 0.00 O ATOM 4427 CB VAL L 12 8.946 -7.057 -1.493 1.00 0.00 C ATOM 4428 CG1 VAL L 12 10.073 -6.794 -2.490 1.00 0.00 C ATOM 4429 CG2 VAL L 12 8.160 -5.767 -1.259 1.00 0.00 C ATOM 0 H VAL L 12 7.542 -6.660 -3.514 1.00 0.00 H new ATOM 0 HA VAL L 12 8.586 -9.025 -2.295 1.00 0.00 H new ATOM 0 HB VAL L 12 9.369 -7.399 -0.549 1.00 0.00 H new ATOM 0 HG11 VAL L 12 10.739 -6.028 -2.093 1.00 0.00 H new ATOM 0 HG12 VAL L 12 10.635 -7.713 -2.654 1.00 0.00 H new ATOM 0 HG13 VAL L 12 9.650 -6.453 -3.435 1.00 0.00 H new ATOM 0 HG21 VAL L 12 8.827 -5.002 -0.862 1.00 0.00 H new ATOM 0 HG22 VAL L 12 7.734 -5.424 -2.202 1.00 0.00 H new ATOM 0 HG23 VAL L 12 7.357 -5.954 -0.546 1.00 0.00 H new ATOM 4439 N GLU L 13 5.903 -7.714 -0.916 1.00 0.09 N ATOM 4440 CA GLU L 13 4.850 -7.995 0.102 1.00 0.09 C ATOM 4441 C GLU L 13 4.370 -9.438 -0.036 1.00 0.09 C ATOM 4442 O GLU L 13 4.301 -10.173 0.928 1.00 0.09 O ATOM 4443 CB GLU L 13 3.671 -7.049 -0.108 1.00 0.09 C ATOM 4444 CG GLU L 13 4.176 -5.609 -0.124 1.00 0.09 C ATOM 4445 CD GLU L 13 2.996 -4.655 0.062 1.00 0.09 C ATOM 4446 OE1 GLU L 13 2.324 -4.376 -0.917 1.00 0.09 O ATOM 4447 OE2 GLU L 13 2.781 -4.221 1.184 1.00 0.09 O ATOM 0 H GLU L 13 5.722 -6.909 -1.516 1.00 0.09 H new ATOM 0 HA GLU L 13 5.267 -7.845 1.098 1.00 0.09 H new ATOM 0 HB2 GLU L 13 3.167 -7.280 -1.047 1.00 0.09 H new ATOM 0 HB3 GLU L 13 2.938 -7.181 0.688 1.00 0.09 H new ATOM 0 HG2 GLU L 13 4.907 -5.460 0.670 1.00 0.09 H new ATOM 0 HG3 GLU L 13 4.682 -5.400 -1.067 1.00 0.09 H new ATOM 4454 N ALA L 14 4.038 -9.849 -1.225 1.00 0.01 N ATOM 4455 CA ALA L 14 3.563 -11.244 -1.420 1.00 0.01 C ATOM 4456 C ALA L 14 4.745 -12.201 -1.287 1.00 0.01 C ATOM 4457 O ALA L 14 4.589 -13.342 -0.903 1.00 0.01 O ATOM 4458 CB ALA L 14 2.954 -11.383 -2.814 1.00 0.01 C ATOM 0 H ALA L 14 4.075 -9.279 -2.070 1.00 0.01 H new ATOM 0 HA ALA L 14 2.811 -11.483 -0.668 1.00 0.01 H new ATOM 0 HB1 ALA L 14 2.605 -12.406 -2.958 1.00 0.01 H new ATOM 0 HB2 ALA L 14 2.114 -10.696 -2.914 1.00 0.01 H new ATOM 0 HB3 ALA L 14 3.708 -11.147 -3.565 1.00 0.01 H new ATOM 4464 N LEU L 15 5.923 -11.750 -1.611 1.00 0.00 N ATOM 4465 CA LEU L 15 7.113 -12.639 -1.516 1.00 0.00 C ATOM 4466 C LEU L 15 7.283 -13.142 -0.088 1.00 0.00 C ATOM 4467 O LEU L 15 7.211 -14.327 0.167 1.00 0.00 O ATOM 4468 CB LEU L 15 8.370 -11.867 -1.905 1.00 0.00 C ATOM 4469 CG LEU L 15 8.675 -12.076 -3.388 1.00 0.00 C ATOM 4470 CD1 LEU L 15 9.792 -11.123 -3.815 1.00 0.00 C ATOM 4471 CD2 LEU L 15 9.128 -13.518 -3.615 1.00 0.00 C ATOM 0 H LEU L 15 6.114 -10.803 -1.938 1.00 0.00 H new ATOM 0 HA LEU L 15 6.965 -13.482 -2.191 1.00 0.00 H new ATOM 0 HB2 LEU L 15 8.233 -10.805 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU L 15 9.214 -12.202 -1.301 1.00 0.00 H new ATOM 0 HG LEU L 15 7.779 -11.877 -3.976 1.00 0.00 H new ATOM 0 HD11 LEU L 15 10.011 -11.270 -4.872 1.00 0.00 H new ATOM 0 HD12 LEU L 15 9.475 -10.093 -3.650 1.00 0.00 H new ATOM 0 HD13 LEU L 15 10.687 -11.325 -3.227 1.00 0.00 H new ATOM 0 HD21 LEU L 15 9.346 -13.669 -4.672 1.00 0.00 H new ATOM 0 HD22 LEU L 15 10.025 -13.714 -3.028 1.00 0.00 H new ATOM 0 HD23 LEU L 15 8.336 -14.201 -3.307 1.00 0.00 H new ATOM 4483 N TYR L 16 7.541 -12.260 0.847 1.00 0.00 N ATOM 4484 CA TYR L 16 7.747 -12.727 2.244 1.00 0.00 C ATOM 4485 C TYR L 16 6.426 -13.202 2.863 1.00 0.00 C ATOM 4486 O TYR L 16 6.423 -13.873 3.877 1.00 0.00 O ATOM 4487 CB TYR L 16 8.471 -11.646 3.074 1.00 0.00 C ATOM 4488 CG TYR L 16 7.550 -10.654 3.748 1.00 0.00 C ATOM 4489 CD1 TYR L 16 6.750 -9.727 2.965 1.00 0.00 C ATOM 4490 CD2 TYR L 16 7.525 -10.592 5.200 1.00 0.00 C ATOM 4491 CE1 TYR L 16 5.925 -8.731 3.638 1.00 0.00 C ATOM 4492 CE2 TYR L 16 6.694 -9.609 5.872 1.00 0.00 C ATOM 4493 CZ TYR L 16 5.898 -8.676 5.095 1.00 0.00 C ATOM 4494 OH TYR L 16 5.138 -7.728 5.741 1.00 0.00 O ATOM 0 H TYR L 16 7.616 -11.253 0.703 1.00 0.00 H new ATOM 0 HA TYR L 16 8.402 -13.598 2.242 1.00 0.00 H new ATOM 0 HB2 TYR L 16 9.077 -12.136 3.836 1.00 0.00 H new ATOM 0 HB3 TYR L 16 9.156 -11.103 2.422 1.00 0.00 H new ATOM 0 HD1 TYR L 16 6.767 -9.776 1.886 1.00 0.00 H new ATOM 0 HD2 TYR L 16 8.125 -11.278 5.780 1.00 0.00 H new ATOM 0 HE1 TYR L 16 5.335 -8.036 3.059 1.00 0.00 H new ATOM 0 HE2 TYR L 16 6.668 -9.572 6.951 1.00 0.00 H new ATOM 0 HH TYR L 16 4.204 -8.023 5.771 1.00 0.00 H new ATOM 4504 N LEU L 17 5.313 -12.925 2.236 1.00 0.10 N ATOM 4505 CA LEU L 17 4.025 -13.437 2.771 1.00 0.10 C ATOM 4506 C LEU L 17 3.983 -14.934 2.462 1.00 0.10 C ATOM 4507 O LEU L 17 3.507 -15.735 3.240 1.00 0.10 O ATOM 4508 CB LEU L 17 2.858 -12.732 2.079 1.00 0.10 C ATOM 4509 CG LEU L 17 1.587 -12.912 2.908 1.00 0.10 C ATOM 4510 CD1 LEU L 17 0.802 -11.601 2.927 1.00 0.10 C ATOM 4511 CD2 LEU L 17 0.727 -14.013 2.287 1.00 0.10 C ATOM 0 H LEU L 17 5.243 -12.370 1.383 1.00 0.10 H new ATOM 0 HA LEU L 17 3.945 -13.254 3.843 1.00 0.10 H new ATOM 0 HB2 LEU L 17 3.080 -11.671 1.960 1.00 0.10 H new ATOM 0 HB3 LEU L 17 2.713 -13.142 1.079 1.00 0.10 H new ATOM 0 HG LEU L 17 1.853 -13.190 3.928 1.00 0.10 H new ATOM 0 HD11 LEU L 17 -0.105 -11.728 3.518 1.00 0.10 H new ATOM 0 HD12 LEU L 17 1.416 -10.816 3.369 1.00 0.10 H new ATOM 0 HD13 LEU L 17 0.534 -11.322 1.908 1.00 0.10 H new ATOM 0 HD21 LEU L 17 -0.180 -14.143 2.877 1.00 0.10 H new ATOM 0 HD22 LEU L 17 0.460 -13.735 1.268 1.00 0.10 H new ATOM 0 HD23 LEU L 17 1.287 -14.948 2.273 1.00 0.10 H new ATOM 4523 N VAL L 18 4.517 -15.308 1.328 1.00 0.13 N ATOM 4524 CA VAL L 18 4.556 -16.746 0.946 1.00 0.13 C ATOM 4525 C VAL L 18 5.672 -17.426 1.740 1.00 0.13 C ATOM 4526 O VAL L 18 5.562 -18.570 2.135 1.00 0.13 O ATOM 4527 CB VAL L 18 4.844 -16.861 -0.555 1.00 0.13 C ATOM 4528 CG1 VAL L 18 4.979 -18.334 -0.951 1.00 0.13 C ATOM 4529 CG2 VAL L 18 3.695 -16.229 -1.343 1.00 0.13 C ATOM 0 H VAL L 18 4.930 -14.671 0.647 1.00 0.13 H new ATOM 0 HA VAL L 18 3.601 -17.224 1.164 1.00 0.13 H new ATOM 0 HB VAL L 18 5.776 -16.342 -0.780 1.00 0.13 H new ATOM 0 HG11 VAL L 18 5.184 -18.406 -2.019 1.00 0.13 H new ATOM 0 HG12 VAL L 18 5.798 -18.787 -0.393 1.00 0.13 H new ATOM 0 HG13 VAL L 18 4.051 -18.859 -0.723 1.00 0.13 H new ATOM 0 HG21 VAL L 18 3.898 -16.310 -2.411 1.00 0.13 H new ATOM 0 HG22 VAL L 18 2.765 -16.748 -1.110 1.00 0.13 H new ATOM 0 HG23 VAL L 18 3.602 -15.178 -1.070 1.00 0.13 H new ATOM 4539 N CYS L 19 6.746 -16.725 1.979 1.00 0.06 N ATOM 4540 CA CYS L 19 7.869 -17.320 2.753 1.00 0.06 C ATOM 4541 C CYS L 19 7.489 -17.392 4.234 1.00 0.06 C ATOM 4542 O CYS L 19 8.033 -18.175 4.986 1.00 0.06 O ATOM 4543 CB CYS L 19 9.113 -16.450 2.594 1.00 0.06 C ATOM 4544 SG CYS L 19 9.845 -16.736 0.964 1.00 0.06 S ATOM 0 H CYS L 19 6.893 -15.764 1.671 1.00 0.06 H new ATOM 0 HA CYS L 19 8.073 -18.324 2.380 1.00 0.06 H new ATOM 0 HB2 CYS L 19 8.851 -15.398 2.707 1.00 0.06 H new ATOM 0 HB3 CYS L 19 9.836 -16.684 3.375 1.00 0.06 H new ATOM 4549 N GLY L 20 6.558 -16.584 4.662 1.00 0.13 N ATOM 4550 CA GLY L 20 6.148 -16.617 6.092 1.00 0.13 C ATOM 4551 C GLY L 20 7.244 -15.993 6.955 1.00 0.13 C ATOM 4552 O GLY L 20 7.536 -14.819 6.854 1.00 0.13 O ATOM 0 H GLY L 20 6.065 -15.904 4.083 1.00 0.13 H new ATOM 0 HA2 GLY L 20 5.213 -16.073 6.225 1.00 0.13 H new ATOM 0 HA3 GLY L 20 5.966 -17.645 6.405 1.00 0.13 H new ATOM 4556 N GLU L 21 7.851 -16.769 7.806 1.00 0.49 N ATOM 4557 CA GLU L 21 8.925 -16.222 8.678 1.00 0.49 C ATOM 4558 C GLU L 21 10.257 -16.225 7.922 1.00 0.49 C ATOM 4559 O GLU L 21 11.166 -15.489 8.249 1.00 0.49 O ATOM 4560 CB GLU L 21 9.042 -17.086 9.936 1.00 0.49 C ATOM 4561 CG GLU L 21 7.660 -17.233 10.580 1.00 0.49 C ATOM 4562 CD GLU L 21 7.816 -17.545 12.070 1.00 0.49 C ATOM 4563 OE1 GLU L 21 8.521 -16.805 12.741 1.00 0.49 O ATOM 4564 OE2 GLU L 21 7.226 -18.515 12.517 1.00 0.49 O ATOM 0 H GLU L 21 7.650 -17.760 7.936 1.00 0.49 H new ATOM 0 HA GLU L 21 8.679 -15.198 8.961 1.00 0.49 H new ATOM 0 HB2 GLU L 21 9.443 -18.067 9.681 1.00 0.49 H new ATOM 0 HB3 GLU L 21 9.738 -16.630 10.641 1.00 0.49 H new ATOM 0 HG2 GLU L 21 7.087 -16.315 10.449 1.00 0.49 H new ATOM 0 HG3 GLU L 21 7.102 -18.030 10.088 1.00 0.49 H new ATOM 4571 N ARG L 22 10.380 -17.046 6.915 1.00 0.30 N ATOM 4572 CA ARG L 22 11.655 -17.092 6.146 1.00 0.30 C ATOM 4573 C ARG L 22 11.947 -15.714 5.559 1.00 0.30 C ATOM 4574 O ARG L 22 11.173 -14.788 5.703 1.00 0.30 O ATOM 4575 CB ARG L 22 11.527 -18.109 5.011 1.00 0.30 C ATOM 4576 CG ARG L 22 11.755 -19.513 5.563 1.00 0.30 C ATOM 4577 CD ARG L 22 12.139 -20.452 4.421 1.00 0.30 C ATOM 4578 NE ARG L 22 10.926 -20.789 3.629 1.00 0.30 N ATOM 4579 CZ ARG L 22 10.960 -21.774 2.774 1.00 0.30 C ATOM 4580 NH1 ARG L 22 11.832 -21.762 1.801 1.00 0.30 N ATOM 4581 NH2 ARG L 22 10.126 -22.772 2.892 1.00 0.30 N ATOM 0 H ARG L 22 9.654 -17.686 6.592 1.00 0.30 H new ATOM 0 HA ARG L 22 12.469 -17.384 6.810 1.00 0.30 H new ATOM 0 HB2 ARG L 22 10.539 -18.041 4.556 1.00 0.30 H new ATOM 0 HB3 ARG L 22 12.254 -17.891 4.228 1.00 0.30 H new ATOM 0 HG2 ARG L 22 12.544 -19.496 6.315 1.00 0.30 H new ATOM 0 HG3 ARG L 22 10.852 -19.873 6.056 1.00 0.30 H new ATOM 0 HD2 ARG L 22 12.884 -19.979 3.782 1.00 0.30 H new ATOM 0 HD3 ARG L 22 12.591 -21.361 4.819 1.00 0.30 H new ATOM 0 HE ARG L 22 10.069 -20.251 3.754 1.00 0.30 H new ATOM 0 HH11 ARG L 22 12.485 -20.983 1.711 1.00 0.30 H new ATOM 0 HH12 ARG L 22 11.860 -22.531 1.132 1.00 0.30 H new ATOM 0 HH21 ARG L 22 9.447 -22.782 3.653 1.00 0.30 H new ATOM 0 HH22 ARG L 22 10.154 -23.541 2.223 1.00 0.30 H new ATOM 4595 N GLY L 23 13.060 -15.572 4.893 1.00 0.01 N ATOM 4596 CA GLY L 23 13.406 -14.254 4.292 1.00 0.01 C ATOM 4597 C GLY L 23 13.690 -14.433 2.801 1.00 0.01 C ATOM 4598 O GLY L 23 13.563 -15.515 2.261 1.00 0.01 O ATOM 0 H GLY L 23 13.745 -16.312 4.739 1.00 0.01 H new ATOM 0 HA2 GLY L 23 12.586 -13.550 4.435 1.00 0.01 H new ATOM 0 HA3 GLY L 23 14.278 -13.832 4.791 1.00 0.01 H new ATOM 4602 N PHE L 24 14.079 -13.385 2.127 1.00 0.00 N ATOM 4603 CA PHE L 24 14.371 -13.511 0.673 1.00 0.00 C ATOM 4604 C PHE L 24 15.285 -12.362 0.223 1.00 0.00 C ATOM 4605 O PHE L 24 15.416 -11.361 0.896 1.00 0.00 O ATOM 4606 CB PHE L 24 13.051 -13.473 -0.114 1.00 0.00 C ATOM 4607 CG PHE L 24 12.378 -12.126 0.048 1.00 0.00 C ATOM 4608 CD1 PHE L 24 11.912 -11.695 1.355 1.00 0.00 C ATOM 4609 CD2 PHE L 24 12.212 -11.259 -1.107 1.00 0.00 C ATOM 4610 CE1 PHE L 24 11.276 -10.393 1.507 1.00 0.00 C ATOM 4611 CE2 PHE L 24 11.575 -9.960 -0.955 1.00 0.00 C ATOM 4612 CZ PHE L 24 11.106 -9.528 0.352 1.00 0.00 C ATOM 0 H PHE L 24 14.206 -12.452 2.519 1.00 0.00 H new ATOM 0 HA PHE L 24 14.878 -14.457 0.483 1.00 0.00 H new ATOM 0 HB2 PHE L 24 13.244 -13.666 -1.169 1.00 0.00 H new ATOM 0 HB3 PHE L 24 12.387 -14.263 0.238 1.00 0.00 H new ATOM 0 HD1 PHE L 24 12.037 -12.339 2.213 1.00 0.00 H new ATOM 0 HD2 PHE L 24 12.561 -11.579 -2.077 1.00 0.00 H new ATOM 0 HE1 PHE L 24 10.931 -10.071 2.478 1.00 0.00 H new ATOM 0 HE2 PHE L 24 11.450 -9.316 -1.813 1.00 0.00 H new ATOM 0 HZ PHE L 24 10.631 -8.564 0.464 1.00 0.00 H new ATOM 4622 N PHE L 25 15.897 -12.494 -0.918 1.00 0.33 N ATOM 4623 CA PHE L 25 16.777 -11.402 -1.416 1.00 0.33 C ATOM 4624 C PHE L 25 16.099 -10.731 -2.608 1.00 0.33 C ATOM 4625 O PHE L 25 15.765 -11.369 -3.584 1.00 0.33 O ATOM 4626 CB PHE L 25 18.149 -11.952 -1.840 1.00 0.33 C ATOM 4627 CG PHE L 25 17.992 -13.265 -2.567 1.00 0.33 C ATOM 4628 CD1 PHE L 25 17.749 -13.283 -4.000 1.00 0.33 C ATOM 4629 CD2 PHE L 25 18.082 -14.514 -1.828 1.00 0.33 C ATOM 4630 CE1 PHE L 25 17.598 -14.552 -4.696 1.00 0.33 C ATOM 4631 CE2 PHE L 25 17.931 -15.783 -2.523 1.00 0.33 C ATOM 4632 CZ PHE L 25 17.689 -15.802 -3.957 1.00 0.33 C ATOM 0 H PHE L 25 15.827 -13.309 -1.527 1.00 0.33 H new ATOM 0 HA PHE L 25 16.936 -10.679 -0.616 1.00 0.33 H new ATOM 0 HB2 PHE L 25 18.653 -11.231 -2.484 1.00 0.33 H new ATOM 0 HB3 PHE L 25 18.779 -12.089 -0.961 1.00 0.33 H new ATOM 0 HD1 PHE L 25 17.681 -12.355 -4.548 1.00 0.33 H new ATOM 0 HD2 PHE L 25 18.261 -14.500 -0.763 1.00 0.33 H new ATOM 0 HE1 PHE L 25 17.418 -14.566 -5.761 1.00 0.33 H new ATOM 0 HE2 PHE L 25 17.999 -16.711 -1.974 1.00 0.33 H new ATOM 0 HZ PHE L 25 17.577 -16.744 -4.473 1.00 0.33 H new ATOM 4642 N TYR L 26 15.880 -9.450 -2.527 1.00 0.00 N ATOM 4643 CA TYR L 26 15.209 -8.737 -3.646 1.00 0.00 C ATOM 4644 C TYR L 26 16.215 -7.842 -4.368 1.00 0.00 C ATOM 4645 O TYR L 26 16.734 -6.898 -3.807 1.00 0.00 O ATOM 4646 CB TYR L 26 14.083 -7.872 -3.082 1.00 0.00 C ATOM 4647 CG TYR L 26 13.232 -7.355 -4.214 1.00 0.00 C ATOM 4648 CD1 TYR L 26 12.238 -8.221 -4.826 1.00 0.00 C ATOM 4649 CD2 TYR L 26 13.407 -5.994 -4.694 1.00 0.00 C ATOM 4650 CE1 TYR L 26 11.417 -7.725 -5.919 1.00 0.00 C ATOM 4651 CE2 TYR L 26 12.586 -5.497 -5.786 1.00 0.00 C ATOM 4652 CZ TYR L 26 11.591 -6.363 -6.400 1.00 0.00 C ATOM 4653 OH TYR L 26 10.814 -5.893 -7.440 1.00 0.00 O ATOM 0 H TYR L 26 16.137 -8.865 -1.732 1.00 0.00 H new ATOM 0 HA TYR L 26 14.805 -9.465 -4.349 1.00 0.00 H new ATOM 0 HB2 TYR L 26 13.473 -8.455 -2.391 1.00 0.00 H new ATOM 0 HB3 TYR L 26 14.499 -7.039 -2.515 1.00 0.00 H new ATOM 0 HD1 TYR L 26 12.109 -9.232 -4.469 1.00 0.00 H new ATOM 0 HD2 TYR L 26 14.147 -5.352 -4.239 1.00 0.00 H new ATOM 0 HE1 TYR L 26 10.678 -8.368 -6.374 1.00 0.00 H new ATOM 0 HE2 TYR L 26 12.715 -4.485 -6.141 1.00 0.00 H new ATOM 0 HH TYR L 26 11.317 -5.222 -7.947 1.00 0.00 H new ATOM 4663 N THR L 27 16.491 -8.121 -5.610 1.00 0.23 N ATOM 4664 CA THR L 27 17.456 -7.274 -6.364 1.00 0.23 C ATOM 4665 C THR L 27 16.790 -6.765 -7.659 1.00 0.23 C ATOM 4666 O THR L 27 16.742 -7.491 -8.631 1.00 0.23 O ATOM 4667 CB THR L 27 18.697 -8.099 -6.719 1.00 0.23 C ATOM 4668 OG1 THR L 27 18.295 -9.294 -7.375 1.00 0.23 O ATOM 4669 CG2 THR L 27 19.464 -8.448 -5.442 1.00 0.23 C ATOM 0 H THR L 27 16.091 -8.898 -6.136 1.00 0.23 H new ATOM 0 HA THR L 27 17.751 -6.425 -5.747 1.00 0.23 H new ATOM 0 HB THR L 27 19.343 -7.520 -7.379 1.00 0.23 H new ATOM 0 HG1 THR L 27 17.610 -9.085 -8.044 1.00 0.23 H new ATOM 0 HG21 THR L 27 20.347 -9.035 -5.697 1.00 0.23 H new ATOM 0 HG22 THR L 27 19.771 -7.531 -4.940 1.00 0.23 H new ATOM 0 HG23 THR L 27 18.822 -9.027 -4.779 1.00 0.23 H new ATOM 4677 N PRO L 28 16.286 -5.533 -7.655 1.00 0.04 N ATOM 4678 CA PRO L 28 15.632 -4.968 -8.849 1.00 0.04 C ATOM 4679 C PRO L 28 16.690 -4.493 -9.845 1.00 0.04 C ATOM 4680 O PRO L 28 16.754 -3.331 -10.194 1.00 0.04 O ATOM 4681 CB PRO L 28 14.827 -3.783 -8.305 1.00 0.04 C ATOM 4682 CG PRO L 28 15.494 -3.378 -6.969 1.00 0.04 C ATOM 4683 CD PRO L 28 16.313 -4.594 -6.498 1.00 0.04 C ATOM 0 HA PRO L 28 15.005 -5.687 -9.376 1.00 0.04 H new ATOM 0 HB2 PRO L 28 14.834 -2.952 -9.010 1.00 0.04 H new ATOM 0 HB3 PRO L 28 13.784 -4.060 -8.150 1.00 0.04 H new ATOM 0 HG2 PRO L 28 16.136 -2.508 -7.105 1.00 0.04 H new ATOM 0 HG3 PRO L 28 14.742 -3.107 -6.228 1.00 0.04 H new ATOM 0 HD2 PRO L 28 17.333 -4.310 -6.241 1.00 0.04 H new ATOM 0 HD3 PRO L 28 15.875 -5.047 -5.609 1.00 0.04 H new ATOM 4691 N LYS L 29 17.529 -5.384 -10.294 1.00 0.40 N ATOM 4692 CA LYS L 29 18.590 -4.983 -11.257 1.00 0.40 C ATOM 4693 C LYS L 29 19.102 -6.220 -11.997 1.00 0.40 C ATOM 4694 O LYS L 29 20.179 -6.717 -11.723 1.00 0.40 O ATOM 4695 CB LYS L 29 19.744 -4.332 -10.493 1.00 0.40 C ATOM 4696 CG LYS L 29 20.824 -3.889 -11.482 1.00 0.40 C ATOM 4697 CD LYS L 29 21.960 -3.201 -10.724 1.00 0.40 C ATOM 4698 CE LYS L 29 22.777 -4.250 -9.967 1.00 0.40 C ATOM 4699 NZ LYS L 29 23.249 -3.676 -8.672 1.00 0.40 N ATOM 0 H LYS L 29 17.526 -6.371 -10.036 1.00 0.40 H new ATOM 0 HA LYS L 29 18.181 -4.274 -11.977 1.00 0.40 H new ATOM 0 HB2 LYS L 29 19.381 -3.475 -9.926 1.00 0.40 H new ATOM 0 HB3 LYS L 29 20.161 -5.036 -9.774 1.00 0.40 H new ATOM 0 HG2 LYS L 29 21.207 -4.751 -12.028 1.00 0.40 H new ATOM 0 HG3 LYS L 29 20.399 -3.207 -12.219 1.00 0.40 H new ATOM 0 HD2 LYS L 29 22.600 -2.659 -11.420 1.00 0.40 H new ATOM 0 HD3 LYS L 29 21.555 -2.468 -10.027 1.00 0.40 H new ATOM 0 HE2 LYS L 29 22.170 -5.136 -9.784 1.00 0.40 H new ATOM 0 HE3 LYS L 29 23.629 -4.566 -10.569 1.00 0.40 H new ATOM 0 HZ1 LYS L 29 23.914 -4.337 -8.221 1.00 0.40 H new ATOM 0 HZ2 LYS L 29 23.728 -2.770 -8.848 1.00 0.40 H new ATOM 0 HZ3 LYS L 29 22.435 -3.521 -8.044 1.00 0.40 H new ATOM 4713 N THR L 30 18.341 -6.722 -12.933 1.00 0.62 N ATOM 4714 CA THR L 30 18.790 -7.926 -13.689 1.00 0.62 C ATOM 4715 C THR L 30 20.060 -7.591 -14.474 1.00 0.62 C ATOM 4716 O THR L 30 21.024 -8.331 -14.345 1.00 0.62 O ATOM 4717 CB THR L 30 17.692 -8.359 -14.664 1.00 0.62 C ATOM 4718 OG1 THR L 30 16.434 -8.320 -14.003 1.00 0.62 O ATOM 4719 CG2 THR L 30 17.974 -9.783 -15.151 1.00 0.62 C ATOM 4720 OXT THR L 30 20.048 -6.602 -15.192 1.00 0.62 O ATOM 0 H THR L 30 17.431 -6.351 -13.206 1.00 0.62 H new ATOM 0 HA THR L 30 18.995 -8.736 -12.989 1.00 0.62 H new ATOM 0 HB THR L 30 17.674 -7.683 -15.519 1.00 0.62 H new ATOM 0 HG1 THR L 30 15.729 -8.595 -14.625 1.00 0.62 H new ATOM 0 HG21 THR L 30 17.192 -10.092 -15.845 1.00 0.62 H new ATOM 0 HG22 THR L 30 18.939 -9.810 -15.656 1.00 0.62 H new ATOM 0 HG23 THR L 30 17.991 -10.462 -14.299 1.00 0.62 H new TER 4728 THR L 30 HETATM 4729 C1 IPH A 22 -9.036 8.989 7.430 1.00 0.02 C HETATM 4730 C2 IPH A 22 -9.876 8.148 6.594 1.00 0.02 C HETATM 4731 C3 IPH A 22 -9.284 7.063 5.828 1.00 0.02 C HETATM 4732 C4 IPH A 22 -7.853 6.818 5.899 1.00 0.02 C HETATM 4733 C5 IPH A 22 -7.013 7.658 6.734 1.00 0.02 C HETATM 4734 C6 IPH A 22 -7.603 8.745 7.501 1.00 0.02 C HETATM 4735 O1 IPH A 22 -9.598 10.019 8.156 1.00 0.02 O HETATM 0 HO1 IPH A 22 -10.528 10.148 7.875 1.00 0.02 H new HETATM 0 H6 IPH A 22 -6.972 9.376 8.128 1.00 0.02 H new HETATM 0 H5 IPH A 22 -5.940 7.474 6.786 1.00 0.02 H new HETATM 0 H4 IPH A 22 -7.410 6.004 5.325 1.00 0.02 H new HETATM 0 H3 IPH A 22 -9.914 6.433 5.200 1.00 0.02 H new HETATM 0 H2 IPH A 22 -10.949 8.330 6.541 1.00 0.02 H new HETATM 4742 C1 IPH C 22 9.040 8.983 -7.445 1.00 0.02 C HETATM 4743 C2 IPH C 22 9.879 8.141 -6.608 1.00 0.02 C HETATM 4744 C3 IPH C 22 9.285 7.057 -5.840 1.00 0.02 C HETATM 4745 C4 IPH C 22 7.853 6.817 -5.911 1.00 0.02 C HETATM 4746 C5 IPH C 22 7.015 7.658 -6.745 1.00 0.02 C HETATM 4747 C6 IPH C 22 7.607 8.742 -7.514 1.00 0.02 C HETATM 4748 O1 IPH C 22 9.604 10.011 -8.169 1.00 0.02 O HETATM 0 HO1 IPH C 22 10.534 10.138 -7.887 1.00 0.02 H new HETATM 0 H6 IPH C 22 6.977 9.373 -8.141 1.00 0.02 H new HETATM 0 H5 IPH C 22 5.941 7.478 -6.795 1.00 0.02 H new HETATM 0 H4 IPH C 22 7.408 6.004 -5.337 1.00 0.02 H new HETATM 0 H3 IPH C 22 9.913 6.425 -5.212 1.00 0.02 H new HETATM 0 H2 IPH C 22 10.953 8.322 -6.556 1.00 0.02 H new HETATM 4755 C1 IPH E 22 -3.233 -12.326 7.434 1.00 0.02 C HETATM 4756 C2 IPH E 22 -2.086 -12.631 6.596 1.00 0.02 C HETATM 4757 C3 IPH E 22 -1.446 -11.574 5.829 1.00 0.02 C HETATM 4758 C4 IPH E 22 -1.953 -10.213 5.900 1.00 0.02 C HETATM 4759 C5 IPH E 22 -3.099 -9.909 6.738 1.00 0.02 C HETATM 4760 C6 IPH E 22 -3.741 -10.964 7.506 1.00 0.02 C HETATM 4761 O1 IPH E 22 -3.840 -13.330 8.160 1.00 0.02 O HETATM 0 HO1 IPH E 22 -3.182 -14.025 8.371 1.00 0.02 H new HETATM 0 H6 IPH E 22 -4.601 -10.735 8.135 1.00 0.02 H new HETATM 0 H5 IPH E 22 -3.479 -8.889 6.792 1.00 0.02 H new HETATM 0 H4 IPH E 22 -1.473 -9.422 5.324 1.00 0.02 H new HETATM 0 H3 IPH E 22 -0.585 -11.802 5.200 1.00 0.02 H new HETATM 0 H2 IPH E 22 -1.706 -13.651 6.542 1.00 0.02 H new HETATM 4768 C1 IPH G 22 -12.341 3.358 -7.366 1.00 0.02 C HETATM 4769 C2 IPH G 22 -12.031 4.503 -6.526 1.00 0.02 C HETATM 4770 C3 IPH G 22 -10.795 4.530 -5.761 1.00 0.02 C HETATM 4771 C4 IPH G 22 -9.868 3.410 -5.835 1.00 0.02 C HETATM 4772 C5 IPH G 22 -10.178 2.265 -6.675 1.00 0.02 C HETATM 4773 C6 IPH G 22 -11.414 2.238 -7.442 1.00 0.02 C HETATM 4774 O1 IPH G 22 -13.513 3.334 -8.090 1.00 0.02 O HETATM 0 HO1 IPH G 22 -13.789 4.251 -8.297 1.00 0.02 H new HETATM 0 H6 IPH G 22 -11.646 1.380 -8.073 1.00 0.02 H new HETATM 0 H5 IPH G 22 -9.484 1.426 -6.730 1.00 0.02 H new HETATM 0 H4 IPH G 22 -8.942 3.430 -5.261 1.00 0.02 H new HETATM 0 H3 IPH G 22 -10.562 5.389 -5.132 1.00 0.02 H new HETATM 0 H2 IPH G 22 -12.725 5.341 -6.470 1.00 0.02 H new HETATM 4781 C1 IPH I 22 12.328 3.364 7.387 1.00 0.02 C HETATM 4782 C2 IPH I 22 12.016 4.510 6.547 1.00 0.02 C HETATM 4783 C3 IPH I 22 10.779 4.535 5.782 1.00 0.02 C HETATM 4784 C4 IPH I 22 9.855 3.414 5.857 1.00 0.02 C HETATM 4785 C5 IPH I 22 10.167 2.270 6.695 1.00 0.02 C HETATM 4786 C6 IPH I 22 11.404 2.244 7.461 1.00 0.02 C HETATM 4787 O1 IPH I 22 13.500 3.340 8.110 1.00 0.02 O HETATM 0 HO1 IPH I 22 13.809 4.257 8.263 1.00 0.02 H new HETATM 0 H6 IPH I 22 11.638 1.385 8.090 1.00 0.02 H new HETATM 0 H5 IPH I 22 9.474 1.430 6.750 1.00 0.02 H new HETATM 0 H4 IPH I 22 8.928 3.433 5.284 1.00 0.02 H new HETATM 0 H3 IPH I 22 10.545 5.394 5.153 1.00 0.02 H new HETATM 0 H2 IPH I 22 12.709 5.350 6.491 1.00 0.02 H new HETATM 4794 C1 IPH K 22 3.250 -12.363 -7.441 1.00 0.02 C HETATM 4795 C2 IPH K 22 2.100 -12.672 -6.606 1.00 0.02 C HETATM 4796 C3 IPH K 22 1.452 -11.615 -5.843 1.00 0.02 C HETATM 4797 C4 IPH K 22 1.954 -10.253 -5.917 1.00 0.02 C HETATM 4798 C5 IPH K 22 3.102 -9.945 -6.751 1.00 0.02 C HETATM 4799 C6 IPH K 22 3.752 -11.000 -7.514 1.00 0.02 C HETATM 4800 O1 IPH K 22 3.864 -13.363 -8.164 1.00 0.02 O HETATM 0 HO1 IPH K 22 3.405 -14.213 -8.001 1.00 0.02 H new HETATM 0 H6 IPH K 22 4.614 -10.769 -8.140 1.00 0.02 H new HETATM 0 H5 IPH K 22 3.477 -8.923 -6.806 1.00 0.02 H new HETATM 0 H4 IPH K 22 1.468 -9.462 -5.346 1.00 0.02 H new HETATM 0 H3 IPH K 22 0.590 -11.845 -5.216 1.00 0.02 H new HETATM 0 H2 IPH K 22 1.724 -13.694 -6.552 1.00 0.02 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