USER MOD reduce.3.24.130724 H: found=0, std=0, add=676, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) HEADER TOXIN 11-DEC-01 1KL8 TITLE NMR STRUCTURAL ANALYSIS OF THE COMPLEX FORMED BETWEEN ALPHA- TITLE 2 BUNGAROTOXIN AND THE PRINCIPAL ALPHA-NEUROTOXIN BINDING TITLE 3 SEQUENCE ON THE ALPHA7 SUBUNIT OF A NEURONAL NICOTINIC TITLE 4 ACETYLCHOLINE RECEPTOR COMPND MOL_ID: 1; COMPND 2 MOLECULE: ALPHA-BUNGAROTOXIN; COMPND 3 CHAIN: A; COMPND 4 SYNONYM: LONG NEUROTOXIN 1; COMPND 5 MOL_ID: 2; COMPND 6 MOLECULE: NEURONAL ACETYLCHOLINE RECEPTOR PROTEIN, ALPHA-7 COMPND 7 CHAIN; COMPND 8 CHAIN: B; COMPND 9 FRAGMENT: ALPHA-NEUROTOXIN BINDING SITE; COMPND 0 ENGINEERED: YES SOURCE MOL_ID: 1; SOURCE 2 ORGANISM_SCIENTIFIC: BUNGARUS MULTICINCTUS; SOURCE 3 ORGANISM_COMMON: MANY-BANDED KRAIT; SOURCE 4 ORGANISM_TAXID: 8616; SOURCE 5 MOL_ID: 2; SOURCE 6 ORGANISM_SCIENTIFIC: GALLUS GALLUS; SOURCE 7 ORGANISM_COMMON: CHICKEN; SOURCE 8 ORGANISM_TAXID: 9031; SOURCE 9 EXPRESSION_SYSTEM: ESCHERICHIA COLI; SOURCE 0 EXPRESSION_SYSTEM_TAXID: 562; SOURCE 1 EXPRESSION_SYSTEM_STRAIN: BLR(DE3)PLYSS; SOURCE 2 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID; SOURCE 3 EXPRESSION_SYSTEM_PLASMID: PET31B(+) KEYWDS ALPHA-BUNGAROTOXIN, NICOTINIC ACETYLCHOLINE RECEPTOR ALPHA KEYWDS 2 7 SUBUNIT, ALPHA-NEUROTOXIN, LIGAND-GATED ION CHANNELS, NMR KEYWDS 3 PROTEIN-PROTEIN INTERACTIONS, PROTEIN-PEPTIDE COMPLEX EXPDTA SOLUTION NMR MDLTYP MINIMIZED AVERAGE AUTHOR L.MOISE,A.PISERCHIO,V.J.BASUS,E.HAWROT REVDAT 4 24-FEB-09 1KL8 1 VERSN REVDAT 3 01-APR-03 1KL8 1 JRNL REVDAT 2 17-APR-02 1KL8 1 JRNL REVDAT 1 13-MAR-02 1KL8 0 JRNL AUTH L.MOISE,A.PISERCHIO,V.J.BASUS,E.HAWROT JRNL TITL NMR STRUCTURAL ANALYSIS OF ALPHA-BUNGAROTOXIN AND JRNL TITL 2 ITS COMPLEX WITH THE PRINCIPAL JRNL TITL 3 ALPHA-NEUROTOXIN-BINDING SEQUENCE ON THE ALPHA 7 JRNL TITL 4 SUBUNIT OF A NEURONAL NICOTINIC ACETYLCHOLINE JRNL TITL 5 RECEPTOR. JRNL REF J.BIOL.CHEM. V. 277 12406 2002 JRNL REFN ISSN 0021-9258 JRNL PMID 11790782 JRNL DOI 10.1074/JBC.M110320200 REMARK 1 REMARK 1 REFERENCE 1 REMARK 1 AUTH M.M.LEVANDOSKI,Y.LIN,L.MOISE,J.T.MCLAUGHLIN, REMARK 1 AUTH 2 E.COOPER,E.HAWROT REMARK 1 TITL CHIMERIC ANALYSIS OF A NEURONAL NICOTINIC REMARK 1 TITL 2 ACETYLCHOLINE RECEPTOR REVEALS AMINO ACIDS REMARK 1 TITL 3 CONFERRING SENSITIVITY TO ALPHA-BUNGAROTOXIN. REMARK 1 REF J.BIOL.CHEM. V. 274 26113 1999 REMARK 1 REFN ISSN 0021-9258 REMARK 1 DOI 10.1074/JBC.274.37.26113 REMARK 1 REFERENCE 2 REMARK 1 AUTH K.E.MCLANE,X.D.WU,R.SCHOEPFER,J.M.LINDSTROM, REMARK 1 AUTH 2 B.M.CONTI-TRONCONI REMARK 1 TITL IDENTIFICATION OF SEQUENCE SEGMENTS FORMING THE REMARK 1 TITL 2 ALPHA-BUNGAROTOXIN BINDING SITES ON TWO NICOTINIC REMARK 1 TITL 3 ACETYLCHOLINE RECEPTOR ALPHA SUBUNITS FROM THE REMARK 1 TITL 4 AVIAN BRAIN. REMARK 1 REF J.BIOL.CHEM. V. 266 15230 1991 REMARK 1 REFN ISSN 0021-9258 REMARK 1 REFERENCE 3 REMARK 1 AUTH V.J.BASUS,M.BILLETER,R.A.LOVE,R.M.STROUD,I.D.KUNTZ REMARK 1 TITL STRUCTURAL STUDIES OF ALPHA-BUNGAROTOXIN. 1. REMARK 1 TITL 2 SEQUENCE-SPECIFIC 1H NMR RESONANCE ASSIGNMENTS. REMARK 1 REF BIOCHEMISTRY V. 27 2763 1988 REMARK 1 REFN ISSN 0006-2960 REMARK 2 REMARK 2 RESOLUTION. NOT APPLICABLE. REMARK 3 REMARK 3 REFINEMENT. REMARK 3 PROGRAM : CNS 1.0 REMARK 3 AUTHORS : BRUNGER, A.T., ET AL. REMARK 3 REMARK 3 OTHER REFINEMENT REMARKS: RMS DEVIATIONS FROM IDEAL VALUES REMARK 3 BOND LENGTH(A) 0.0039, ANGLES(DEG) 0.61, IMPROPERS(DEG) 0.5 REMARK 4 REMARK 4 1KL8 COMPLIES WITH FORMAT V. 3.15, 01-DEC-08 REMARK 100 REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 17-DEC-01. REMARK 100 THE RCSB ID CODE IS RCSB015074. REMARK 210 REMARK 210 EXPERIMENTAL DETAILS REMARK 210 EXPERIMENT TYPE : NMR REMARK 210 TEMPERATURE (KELVIN) : 308.00 REMARK 210 PH : 5.50 REMARK 210 IONIC STRENGTH : NULL REMARK 210 PRESSURE : AMBIENT REMARK 210 SAMPLE CONTENTS : 1.6 MM ALPHA-BUNGAROTOXIN REMARK 210 15N]-ALPHA 7 19MER COMPLEX MM REMARK 210 SODIUM PHOSPHATE, PH 5. REMARK 210 MICROMOLAR SODIUM AZIDE 50 REMARK 210 MICROMOLAR TMSP REMARK 210 REMARK 210 NMR EXPERIMENTS CONDUCTED : 2D NOESY, 2D TOCSY, 3D_15 REMARK 210 SEPARATED_NOESY, 3D_15N- REMARK 210 SEPARATED_TOCSY, 2D_1H_15N REMARK 210 HSQC, HNHA REMARK 210 SPECTROMETER FIELD STRENGTH : 600 MHZ, 400 MHZ REMARK 210 SPECTROMETER MODEL : AVANCE REMARK 210 SPECTROMETER MANUFACTURER : BRUKER REMARK 210 REMARK 210 STRUCTURE DETERMINATION. REMARK 210 SOFTWARE USED : XWINNMR 2.1, NMRPIPE 1.8, REMARK 210 SPARKY 3.87 REMARK 210 METHOD USED : DISTANCE GEOMETRY DYNAMIC REMARK 210 SIMULATED ANNEALING REMARK 210 REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1 REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL REMARK 210 REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : 1 REMARK 210 REMARK 210 REMARK: THE WELL-DEFINED REGIONS IN THE COMPLEX, EXHIBITING REMARK 210 EXTENSIVE LONG RANGE NOES, ARE: BGTX: 1-16, 22-28, 39-48, AND REMARK 210 54-68 ALPHA 7 19MER: 185-194. 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 465 REMARK 465 MISSING RESIDUES REMARK 465 THE FOLLOWING RESIDUES WERE NOT LOCATED IN THE REMARK 465 EXPERIMENT. (RES=RESIDUE NAME; C=CHAIN IDENTIFIER; REMARK 465 SSSEQ=SEQUENCE NUMBER; I=INSERTION CODE.) REMARK 465 RES C SSSEQI REMARK 465 HSL B 197 REMARK 500 REMARK 500 GEOMETRY AND STEREOCHEMISTRY REMARK 500 SUBTOPIC: COVALENT BOND ANGLES REMARK 500 REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE). REMARK 500 REMARK 500 STANDARD TABLE: REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1) REMARK 500 REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999 REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996 REMARK 500 REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3 REMARK 500 ARG A 25 NE - CZ - NH1 ANGL. DEV. = 3.3 DEGREES REMARK 500 ARG A 72 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES REMARK 500 ARG B 182 NE - CZ - NH1 ANGL. DEV. = 3.2 DEGREES REMARK 500 REMARK 500 REMARK: NULL 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 THR A 5 170.42 -51.52 REMARK 500 ALA A 7 52.78 74.74 REMARK 500 SER A 9 -65.38 -167.13 REMARK 500 SER A 12 -147.86 -115.36 REMARK 500 ASN A 21 -51.02 -154.64 REMARK 500 CYS A 29 -51.85 -139.82 REMARK 500 ALA A 31 -91.86 174.53 REMARK 500 PHE A 32 90.30 177.94 REMARK 500 SER A 34 153.08 66.79 REMARK 500 SER A 35 -79.53 78.70 REMARK 500 VAL A 40 94.47 40.17 REMARK 500 SER A 50 123.24 -173.77 REMARK 500 LYS A 51 61.49 -178.03 REMARK 500 LYS A 52 70.84 55.86 REMARK 500 GLU A 55 91.85 115.79 REMARK 500 GLU A 56 -151.62 -159.82 REMARK 500 THR A 62 -165.35 -166.63 REMARK 500 ASP A 63 -132.94 -76.08 REMARK 500 LYS A 64 73.84 -58.25 REMARK 500 PRO A 67 97.78 -51.17 REMARK 500 PRO A 69 -72.77 -50.68 REMARK 500 PRO A 73 -174.51 -67.41 REMARK 500 LYS B 181 124.49 67.84 REMARK 500 THR B 183 59.59 -101.72 REMARK 500 SER B 185 -167.21 -101.52 REMARK 500 TYR B 187 -152.43 -124.09 REMARK 500 CYS B 189 -42.84 -170.48 REMARK 500 CYS B 190 41.80 -162.11 REMARK 500 GLU B 192 -148.93 70.81 REMARK 500 TYR B 194 -68.71 -2.66 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 TYR B 194 0.11 SIDE_CHAIN REMARK 500 REMARK 500 REMARK: NULL REMARK 900 REMARK 900 RELATED ENTRIES REMARK 900 RELATED ID: 1ABT RELATED DB: PDB REMARK 900 1ABT IS ALPHA-BUNGAROTOXIN COMPLEXED WITH THE 185 - 196 REMARK 900 FRAGMENT OF THE -SUBUNIT OF THE TORPEDO NICOTINIC REMARK 900 ACETYLCHOLINE RECEPTOR (NMR, 4 STRUCTURES). REMARK 900 RELATED ID: 1IDH RELATED DB: PDB REMARK 900 1IDH IS THE NMR SOLUTION STRUCTURE OF THE COMPLEX FORMED REMARK 900 BETWEEN ALPHA-BUNGAROTOXIN AND AN 18MER COGNATE PEPTIDE. REMARK 900 RELATED ID: 2ABX RELATED DB: PDB REMARK 900 2ABX IS THE CRYSTAL STRUCTURE OF ALPHA-BUNGAROTOXIN AT 2.5 REMARK 900 A RESOLUTION: RELATION TO SOLUTION STRUCTURE AND BINDING TO REMARK 900 ACETYLCHOLINE RECEPTOR. REMARK 900 RELATED ID: 1I9B RELATED DB: PDB REMARK 900 1I9B IS THE X-RAY STRUCTURE OF ACETYLCHOLINE BINDING REMARK 900 PROTEIN (ACHBP). REMARK 900 RELATED ID: 1HC9 RELATED DB: PDB REMARK 900 1HC9 IS A-BUNGAROTOXIN COMPLEXED WITH HIGH AFFINITY PEPTIDE. REMARK 900 RELATED ID: 1JBD RELATED DB: PDB REMARK 900 1JBD IS THE NMR STRUCTURE OF THE COMPLEX BETWEEN ALPHA- REMARK 900 BUNGAROTOXIN AND A MIMOTOPE OF THE NICOTINIC ACETILCHOLINE REMARK 900 RECEPTOR. REMARK 900 RELATED ID: 1KC4 RELATED DB: PDB REMARK 900 1KC4 IS THE NMR STRUCTURAL ANALYSIS OF THE COMPLEX FORMED REMARK 900 BETWEEN ALPHA-BUNGAROTOXIN AND THE PRINCIPAL ALPHA- REMARK 900 NEUROTOXIN BINDING SEQUENCE ON THE ALPHA7 SUBUNIT OF A REMARK 900 NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR (ENSEMBLE OF 10 REMARK 900 STRUCTURES). REMARK 900 RELATED ID: 1KFH RELATED DB: PDB REMARK 900 1KFH IS THE SOLUTION STRUCTURE OF ALPHA-BUNGAROTOXIN BY NMR REMARK 900 SPECTROSCOPY. REMARK 900 RELATED ID: 1HAJ RELATED DB: PDB REMARK 900 1HAJ IS A BETA-HAIRPIN STRUCTURE IN A 13-MER PEPTIDE THAT REMARK 900 BINDS A-BUNGAROTOXIN WITH HIGH AFFINITY AND NEUTRALIZES ITS REMARK 900 TOXICITY. REMARK 900 RELATED ID: 1BXP RELATED DB: PDB REMARK 900 1BXP IS THE SOLUTION NMR STRUCTURE OF THE COMPLEX OF ALPHA- REMARK 900 BUNGAROTOXIN WITH A LIBRARY DERIVED PEPTIDE, 20 STRUCTURES. REMARK 900 RELATED ID: 1IKC RELATED DB: PDB REMARK 900 1IKC IS THE NMR STRUCTURE OF ALPHA-BUNGAROTOXIN. DBREF 1KL8 A 1 74 UNP P60615 NXL1A_BUNMU 1 74 DBREF 1KL8 B 178 196 UNP P22770 ACHA7_CHICK 201 219 SEQADV 1KL8 HSL B 197 UNP P22770 ENGINEERED SEQRES 1 A 74 ILE VAL CYS HIS THR THR ALA THR SER PRO ILE SER ALA SEQRES 2 A 74 VAL THR CYS PRO PRO GLY GLU ASN LEU CYS TYR ARG LYS SEQRES 3 A 74 MET TRP CYS ASP ALA PHE CYS SER SER ARG GLY LYS VAL SEQRES 4 A 74 VAL GLU LEU GLY CYS ALA ALA THR CYS PRO SER LYS LYS SEQRES 5 A 74 PRO TYR GLU GLU VAL THR CYS CYS SER THR ASP LYS CYS SEQRES 6 A 74 ASN PRO HIS PRO LYS GLN ARG PRO GLY SEQRES 1 B 20 ILE PRO GLY LYS ARG THR GLU SER PHE TYR GLU CYS CYS SEQRES 2 B 20 LYS GLU PRO TYR PRO ASP HSL SHEET 1 A 3 GLU A 41 ALA A 45 0 SHEET 2 A 3 LEU A 22 LYS A 26 -1 N LEU A 22 O ALA A 45 SHEET 3 A 3 VAL A 57 THR A 58 -1 O THR A 58 N ARG A 25 SSBOND *** CYS A 3 CYS A 23 1555 1555 1.99 SSBOND *** CYS A 16 CYS A 44 1555 1555 2.00 SSBOND *** CYS A 29 CYS A 33 1555 1555 1.99 SSBOND *** CYS A 48 CYS A 59 1555 1555 1.99 SSBOND *** CYS A 60 CYS A 65 1555 1555 1.98 SSBOND *** CYS B 189 CYS B 190 1555 1555 2.02 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: B 187 TYR OH : rot 180:sc= -0.461 USER MOD Set 1.2: B 194 TYR OH : rot 180:sc= 0.192 USER MOD Set 2.1: A 4 HIS : no HE2:sc= -1.61 K(o=-7.4,f=-9.3) USER MOD Set 2.2: A 66 ASN : amide:sc= -5.78! C(o=-7.4!,f=-12!) USER MOD Single : A 1 ILE N :NH3+ 137:sc= 0.0105 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0764 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 62:sc= 0.681 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -2.02! C(o=-2!,f=-6.7!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0.0329 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 112:sc= 1.2 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= -6.87! C(o=-6.9!,f=-7.3!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 181 LYS NZ :NH3+ 177:sc= -0.124 (180deg=-0.138) USER MOD Single : B 183 THR OG1 : rot 180:sc= 0 USER MOD Single : B 185 SER OG : rot 180:sc= 0 USER MOD Single : B 191 LYS NZ :NH3+ -112:sc= 1.32 (180deg=0.0313) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 -16.481 24.438 -1.934 1.00 1.50 N ATOM 2 CA ILE A 1 -16.100 23.187 -2.629 1.00 1.24 C ATOM 3 C ILE A 1 -15.277 22.279 -1.673 1.00 1.11 C ATOM 4 O ILE A 1 -14.449 22.742 -0.881 1.00 1.18 O ATOM 5 CB ILE A 1 -15.388 23.495 -3.989 1.00 1.36 C ATOM 6 CG1 ILE A 1 -15.221 22.233 -4.876 1.00 1.44 C ATOM 7 CG2 ILE A 1 -14.035 24.239 -3.843 1.00 1.65 C ATOM 8 CD1 ILE A 1 -15.088 22.500 -6.382 1.00 1.72 C ATOM 0 H1 ILE A 1 -16.343 25.246 -2.574 1.00 1.50 H new ATOM 0 H2 ILE A 1 -17.480 24.387 -1.651 1.00 1.50 H new ATOM 0 H3 ILE A 1 -15.888 24.560 -1.089 1.00 1.50 H new ATOM 0 HA ILE A 1 -16.995 22.624 -2.895 1.00 1.24 H new ATOM 0 HB ILE A 1 -16.067 24.181 -4.495 1.00 1.36 H new ATOM 0 HG12 ILE A 1 -14.338 21.689 -4.541 1.00 1.44 H new ATOM 0 HG13 ILE A 1 -16.078 21.580 -4.714 1.00 1.44 H new ATOM 0 HG21 ILE A 1 -13.608 24.414 -4.830 1.00 1.65 H new ATOM 0 HG22 ILE A 1 -14.197 25.194 -3.343 1.00 1.65 H new ATOM 0 HG23 ILE A 1 -13.348 23.633 -3.253 1.00 1.65 H new ATOM 0 HD11 ILE A 1 -14.976 21.553 -6.911 1.00 1.72 H new ATOM 0 HD12 ILE A 1 -15.980 23.013 -6.741 1.00 1.72 H new ATOM 0 HD13 ILE A 1 -14.213 23.123 -6.565 1.00 1.72 H new ATOM 22 N VAL A 2 -15.486 20.967 -1.822 1.00 0.99 N ATOM 23 CA VAL A 2 -14.652 19.928 -1.164 1.00 0.87 C ATOM 24 C VAL A 2 -13.853 19.143 -2.250 1.00 0.77 C ATOM 25 O VAL A 2 -14.020 19.303 -3.456 1.00 0.79 O ATOM 26 CB VAL A 2 -15.566 19.108 -0.188 1.00 0.88 C ATOM 27 CG1 VAL A 2 -16.639 18.238 -0.867 1.00 1.09 C ATOM 28 CG2 VAL A 2 -14.777 18.255 0.824 1.00 1.26 C ATOM 0 H VAL A 2 -16.235 20.585 -2.399 1.00 0.99 H new ATOM 0 HA VAL A 2 -13.869 20.333 -0.523 1.00 0.87 H new ATOM 0 HB VAL A 2 -16.092 19.897 0.350 1.00 0.88 H new ATOM 0 HG11 VAL A 2 -17.216 17.713 -0.106 1.00 1.09 H new ATOM 0 HG12 VAL A 2 -17.304 18.872 -1.454 1.00 1.09 H new ATOM 0 HG13 VAL A 2 -16.158 17.512 -1.523 1.00 1.09 H new ATOM 0 HG21 VAL A 2 -15.473 17.716 1.466 1.00 1.26 H new ATOM 0 HG22 VAL A 2 -14.150 17.542 0.288 1.00 1.26 H new ATOM 0 HG23 VAL A 2 -14.148 18.903 1.434 1.00 1.26 H new ATOM 38 N CYS A 3 -12.921 18.311 -1.805 1.00 0.72 N ATOM 39 CA CYS A 3 -12.187 17.357 -2.654 1.00 0.68 C ATOM 40 C CYS A 3 -11.564 16.326 -1.700 1.00 0.64 C ATOM 41 O CYS A 3 -10.845 16.716 -0.772 1.00 0.68 O ATOM 42 CB CYS A 3 -11.097 18.048 -3.502 1.00 0.76 C ATOM 43 SG CYS A 3 -10.434 16.819 -4.622 1.00 1.12 S ATOM 0 H CYS A 3 -12.642 18.273 -0.825 1.00 0.72 H new ATOM 0 HA CYS A 3 -12.863 16.889 -3.369 1.00 0.68 H new ATOM 0 HB2 CYS A 3 -11.517 18.887 -4.057 1.00 0.76 H new ATOM 0 HB3 CYS A 3 -10.310 18.450 -2.863 1.00 0.76 H new ATOM 48 N HIS A 4 -11.761 15.013 -1.958 1.00 0.64 N ATOM 49 CA HIS A 4 -11.092 13.921 -1.183 1.00 0.72 C ATOM 50 C HIS A 4 -9.598 14.202 -0.871 1.00 0.86 C ATOM 51 O HIS A 4 -8.886 14.802 -1.687 1.00 0.98 O ATOM 52 CB HIS A 4 -11.179 12.544 -1.894 1.00 0.80 C ATOM 53 CG HIS A 4 -12.494 11.784 -1.721 1.00 0.84 C ATOM 54 ND1 HIS A 4 -12.668 10.842 -0.734 1.00 0.96 N ATOM 55 CD2 HIS A 4 -13.701 11.959 -2.407 1.00 0.86 C ATOM 56 CE1 HIS A 4 -13.996 10.574 -0.854 1.00 1.06 C ATOM 57 NE2 HIS A 4 -14.702 11.194 -1.833 1.00 1.00 N ATOM 0 H HIS A 4 -12.378 14.675 -2.697 1.00 0.64 H new ATOM 0 HA HIS A 4 -11.648 13.893 -0.246 1.00 0.72 H new ATOM 0 HB2 HIS A 4 -11.007 12.696 -2.960 1.00 0.80 H new ATOM 0 HB3 HIS A 4 -10.368 11.915 -1.527 1.00 0.80 H new ATOM 0 HD1 HIS A 4 -11.985 10.450 -0.086 1.00 0.96 H new ATOM 0 HD2 HIS A 4 -13.833 12.602 -3.265 1.00 0.86 H new ATOM 0 HE1 HIS A 4 -14.480 9.880 -0.182 1.00 1.06 H new ATOM 66 N THR A 5 -9.150 13.761 0.316 1.00 0.97 N ATOM 67 CA THR A 5 -7.728 13.876 0.746 1.00 1.22 C ATOM 68 C THR A 5 -6.728 13.317 -0.305 1.00 1.14 C ATOM 69 O THR A 5 -7.120 12.640 -1.261 1.00 1.51 O ATOM 70 CB THR A 5 -7.595 13.254 2.181 1.00 1.58 C ATOM 71 OG1 THR A 5 -6.308 13.517 2.733 1.00 1.99 O ATOM 72 CG2 THR A 5 -7.903 11.754 2.342 1.00 1.70 C ATOM 0 H THR A 5 -9.752 13.315 1.008 1.00 0.97 H new ATOM 0 HA THR A 5 -7.443 14.926 0.810 1.00 1.22 H new ATOM 0 HB THR A 5 -8.392 13.761 2.725 1.00 1.58 H new ATOM 0 HG1 THR A 5 -6.249 13.122 3.628 1.00 1.99 H new ATOM 0 HG21 THR A 5 -7.770 11.465 3.384 1.00 1.70 H new ATOM 0 HG22 THR A 5 -8.932 11.559 2.040 1.00 1.70 H new ATOM 0 HG23 THR A 5 -7.226 11.174 1.715 1.00 1.70 H new ATOM 80 N THR A 6 -5.428 13.554 -0.097 1.00 1.39 N ATOM 81 CA THR A 6 -4.354 12.810 -0.825 1.00 1.94 C ATOM 82 C THR A 6 -4.484 11.249 -0.837 1.00 1.67 C ATOM 83 O THR A 6 -3.889 10.603 -1.705 1.00 2.36 O ATOM 84 CB THR A 6 -2.969 13.244 -0.260 1.00 2.74 C ATOM 85 OG1 THR A 6 -2.856 14.665 -0.243 1.00 3.42 O ATOM 86 CG2 THR A 6 -1.767 12.714 -1.063 1.00 3.29 C ATOM 0 H THR A 6 -5.079 14.249 0.563 1.00 1.39 H new ATOM 0 HA THR A 6 -4.464 13.085 -1.874 1.00 1.94 H new ATOM 0 HB THR A 6 -2.935 12.815 0.741 1.00 2.74 H new ATOM 0 HG1 THR A 6 -1.980 14.919 0.116 1.00 3.42 H new ATOM 0 HG21 THR A 6 -0.841 13.061 -0.604 1.00 3.29 H new ATOM 0 HG22 THR A 6 -1.784 11.624 -1.067 1.00 3.29 H new ATOM 0 HG23 THR A 6 -1.824 13.081 -2.088 1.00 3.29 H new ATOM 94 N ALA A 7 -5.259 10.658 0.103 1.00 0.96 N ATOM 95 CA ALA A 7 -5.404 9.200 0.282 1.00 0.94 C ATOM 96 C ALA A 7 -4.131 8.631 0.947 1.00 1.02 C ATOM 97 O ALA A 7 -3.527 7.692 0.446 1.00 1.31 O ATOM 98 CB ALA A 7 -5.840 8.514 -1.029 1.00 1.50 C ATOM 0 H ALA A 7 -5.811 11.196 0.771 1.00 0.96 H new ATOM 0 HA ALA A 7 -6.219 8.977 0.971 1.00 0.94 H new ATOM 0 HB1 ALA A 7 -5.938 7.441 -0.863 1.00 1.50 H new ATOM 0 HB2 ALA A 7 -6.799 8.920 -1.351 1.00 1.50 H new ATOM 0 HB3 ALA A 7 -5.092 8.695 -1.801 1.00 1.50 H new ATOM 104 N THR A 8 -3.697 9.190 2.088 1.00 1.15 N ATOM 105 CA THR A 8 -2.575 8.623 2.892 1.00 1.54 C ATOM 106 C THR A 8 -2.795 7.132 3.325 1.00 1.48 C ATOM 107 O THR A 8 -1.883 6.307 3.237 1.00 1.84 O ATOM 108 CB THR A 8 -2.209 9.537 4.118 1.00 1.95 C ATOM 109 OG1 THR A 8 -3.121 10.615 4.346 1.00 2.12 O ATOM 110 CG2 THR A 8 -0.806 10.145 3.993 1.00 2.33 C ATOM 0 H THR A 8 -4.101 10.038 2.485 1.00 1.15 H new ATOM 0 HA THR A 8 -1.717 8.609 2.219 1.00 1.54 H new ATOM 0 HB THR A 8 -2.262 8.852 4.964 1.00 1.95 H new ATOM 0 HG1 THR A 8 -2.826 11.134 5.123 1.00 2.12 H new ATOM 0 HG21 THR A 8 -0.600 10.768 4.864 1.00 2.33 H new ATOM 0 HG22 THR A 8 -0.067 9.346 3.936 1.00 2.33 H new ATOM 0 HG23 THR A 8 -0.752 10.754 3.091 1.00 2.33 H new ATOM 118 N SER A 9 -4.023 6.835 3.776 1.00 1.33 N ATOM 119 CA SER A 9 -4.458 5.525 4.303 1.00 1.33 C ATOM 120 C SER A 9 -6.014 5.572 4.384 1.00 1.39 C ATOM 121 O SER A 9 -6.643 4.803 3.649 1.00 1.33 O ATOM 122 CB SER A 9 -3.696 5.078 5.578 1.00 1.55 C ATOM 123 OG SER A 9 -4.512 4.370 6.506 1.00 1.71 O ATOM 0 H SER A 9 -4.773 7.526 3.786 1.00 1.33 H new ATOM 0 HA SER A 9 -4.183 4.711 3.633 1.00 1.33 H new ATOM 0 HB2 SER A 9 -2.857 4.446 5.288 1.00 1.55 H new ATOM 0 HB3 SER A 9 -3.278 5.957 6.069 1.00 1.55 H new ATOM 0 HG SER A 9 -3.975 4.115 7.285 1.00 1.71 H new ATOM 129 N PRO A 10 -6.684 6.413 5.226 1.00 1.56 N ATOM 130 CA PRO A 10 -8.153 6.442 5.332 1.00 1.67 C ATOM 131 C PRO A 10 -8.710 7.465 4.309 1.00 1.55 C ATOM 132 O PRO A 10 -8.490 8.671 4.469 1.00 2.06 O ATOM 133 CB PRO A 10 -8.298 6.864 6.807 1.00 1.91 C ATOM 134 CG PRO A 10 -7.136 7.829 7.085 1.00 1.92 C ATOM 135 CD PRO A 10 -6.032 7.391 6.127 1.00 1.72 C ATOM 0 HA PRO A 10 -8.698 5.526 5.106 1.00 1.67 H new ATOM 0 HB2 PRO A 10 -9.259 7.349 6.982 1.00 1.91 H new ATOM 0 HB3 PRO A 10 -8.253 5.998 7.467 1.00 1.91 H new ATOM 0 HG2 PRO A 10 -7.429 8.864 6.906 1.00 1.92 H new ATOM 0 HG3 PRO A 10 -6.808 7.766 8.123 1.00 1.92 H new ATOM 0 HD2 PRO A 10 -5.632 8.238 5.570 1.00 1.72 H new ATOM 0 HD3 PRO A 10 -5.197 6.940 6.664 1.00 1.72 H new ATOM 143 N ILE A 11 -9.419 6.991 3.267 1.00 0.98 N ATOM 144 CA ILE A 11 -10.056 7.887 2.255 1.00 0.89 C ATOM 145 C ILE A 11 -11.141 8.752 2.967 1.00 0.86 C ATOM 146 O ILE A 11 -12.233 8.273 3.288 1.00 0.98 O ATOM 147 CB ILE A 11 -10.626 7.100 1.024 1.00 0.98 C ATOM 148 CG1 ILE A 11 -9.533 6.368 0.203 1.00 1.16 C ATOM 149 CG2 ILE A 11 -11.436 7.985 0.054 1.00 1.13 C ATOM 150 CD1 ILE A 11 -9.266 4.967 0.726 1.00 0.77 C ATOM 0 H ILE A 11 -9.571 5.997 3.095 1.00 0.98 H new ATOM 0 HA ILE A 11 -9.295 8.545 1.835 1.00 0.89 H new ATOM 0 HB ILE A 11 -11.289 6.364 1.479 1.00 0.98 H new ATOM 0 HG12 ILE A 11 -9.841 6.312 -0.841 1.00 1.16 H new ATOM 0 HG13 ILE A 11 -8.610 6.947 0.232 1.00 1.16 H new ATOM 0 HG21 ILE A 11 -11.801 7.378 -0.774 1.00 1.13 H new ATOM 0 HG22 ILE A 11 -12.282 8.424 0.582 1.00 1.13 H new ATOM 0 HG23 ILE A 11 -10.798 8.780 -0.332 1.00 1.13 H new ATOM 0 HD11 ILE A 11 -8.494 4.493 0.120 1.00 0.77 H new ATOM 0 HD12 ILE A 11 -8.931 5.023 1.762 1.00 0.77 H new ATOM 0 HD13 ILE A 11 -10.182 4.378 0.672 1.00 0.77 H new ATOM 162 N SER A 12 -10.766 10.012 3.225 1.00 0.82 N ATOM 163 CA SER A 12 -11.602 10.972 3.979 1.00 0.85 C ATOM 164 C SER A 12 -11.986 12.124 3.006 1.00 0.92 C ATOM 165 O SER A 12 -12.187 11.899 1.812 1.00 1.61 O ATOM 166 CB SER A 12 -10.858 11.407 5.276 1.00 0.90 C ATOM 167 OG SER A 12 -10.319 10.323 6.023 1.00 1.35 O ATOM 0 H SER A 12 -9.874 10.401 2.919 1.00 0.82 H new ATOM 0 HA SER A 12 -12.536 10.537 4.334 1.00 0.85 H new ATOM 0 HB2 SER A 12 -10.050 12.088 5.009 1.00 0.90 H new ATOM 0 HB3 SER A 12 -11.548 11.964 5.909 1.00 0.90 H new ATOM 0 HG SER A 12 -9.655 9.849 5.480 1.00 1.35 H new ATOM 173 N ALA A 13 -12.142 13.356 3.507 1.00 1.10 N ATOM 174 CA ALA A 13 -12.512 14.521 2.676 1.00 1.21 C ATOM 175 C ALA A 13 -11.858 15.794 3.244 1.00 0.89 C ATOM 176 O ALA A 13 -11.696 15.959 4.460 1.00 0.89 O ATOM 177 CB ALA A 13 -14.043 14.650 2.555 1.00 1.65 C ATOM 0 H ALA A 13 -12.017 13.578 4.495 1.00 1.10 H new ATOM 0 HA ALA A 13 -12.134 14.376 1.664 1.00 1.21 H new ATOM 0 HB1 ALA A 13 -14.288 15.515 1.939 1.00 1.65 H new ATOM 0 HB2 ALA A 13 -14.449 13.749 2.094 1.00 1.65 H new ATOM 0 HB3 ALA A 13 -14.477 14.777 3.547 1.00 1.65 H new ATOM 183 N VAL A 14 -11.457 16.689 2.331 1.00 0.85 N ATOM 184 CA VAL A 14 -10.703 17.924 2.691 1.00 0.94 C ATOM 185 C VAL A 14 -11.122 19.047 1.713 1.00 0.89 C ATOM 186 O VAL A 14 -11.632 18.818 0.619 1.00 1.02 O ATOM 187 CB VAL A 14 -9.132 17.767 2.737 1.00 1.27 C ATOM 188 CG1 VAL A 14 -8.480 18.796 3.690 1.00 2.00 C ATOM 189 CG2 VAL A 14 -8.612 16.376 3.121 1.00 1.82 C ATOM 0 H VAL A 14 -11.637 16.591 1.332 1.00 0.85 H new ATOM 0 HA VAL A 14 -10.969 18.170 3.719 1.00 0.94 H new ATOM 0 HB VAL A 14 -8.842 17.943 1.701 1.00 1.27 H new ATOM 0 HG11 VAL A 14 -7.399 18.655 3.693 1.00 2.00 H new ATOM 0 HG12 VAL A 14 -8.713 19.805 3.350 1.00 2.00 H new ATOM 0 HG13 VAL A 14 -8.868 18.654 4.699 1.00 2.00 H new ATOM 0 HG21 VAL A 14 -7.522 16.382 3.121 1.00 1.82 H new ATOM 0 HG22 VAL A 14 -8.974 16.114 4.115 1.00 1.82 H new ATOM 0 HG23 VAL A 14 -8.970 15.642 2.400 1.00 1.82 H new ATOM 199 N THR A 15 -10.854 20.297 2.089 1.00 1.02 N ATOM 200 CA THR A 15 -11.090 21.457 1.199 1.00 1.06 C ATOM 201 C THR A 15 -9.967 21.546 0.122 1.00 0.99 C ATOM 202 O THR A 15 -8.828 21.094 0.304 1.00 1.43 O ATOM 203 CB THR A 15 -11.253 22.738 2.064 1.00 1.28 C ATOM 204 OG1 THR A 15 -12.179 22.509 3.124 1.00 1.84 O ATOM 205 CG2 THR A 15 -11.785 23.944 1.271 1.00 1.85 C ATOM 0 H THR A 15 -10.473 20.543 3.003 1.00 1.02 H new ATOM 0 HA THR A 15 -12.018 21.340 0.640 1.00 1.06 H new ATOM 0 HB THR A 15 -10.253 22.964 2.433 1.00 1.28 H new ATOM 0 HG1 THR A 15 -12.270 23.324 3.661 1.00 1.84 H new ATOM 0 HG21 THR A 15 -11.875 24.804 1.934 1.00 1.85 H new ATOM 0 HG22 THR A 15 -11.094 24.181 0.462 1.00 1.85 H new ATOM 0 HG23 THR A 15 -12.763 23.703 0.855 1.00 1.85 H new ATOM 213 N CYS A 16 -10.338 22.146 -1.012 1.00 0.95 N ATOM 214 CA CYS A 16 -9.379 22.493 -2.074 1.00 0.89 C ATOM 215 C CYS A 16 -8.689 23.876 -1.810 1.00 1.02 C ATOM 216 O CYS A 16 -9.354 24.785 -1.298 1.00 1.29 O ATOM 217 CB CYS A 16 -10.123 22.510 -3.413 1.00 1.05 C ATOM 218 SG CYS A 16 -10.054 20.916 -4.225 1.00 1.43 S ATOM 0 H CYS A 16 -11.302 22.405 -1.223 1.00 0.95 H new ATOM 0 HA CYS A 16 -8.586 21.745 -2.092 1.00 0.89 H new ATOM 0 HB2 CYS A 16 -11.163 22.790 -3.248 1.00 1.05 H new ATOM 0 HB3 CYS A 16 -9.687 23.269 -4.063 1.00 1.05 H new ATOM 223 N PRO A 17 -7.400 24.101 -2.205 1.00 1.56 N ATOM 224 CA PRO A 17 -6.738 25.439 -2.165 1.00 1.96 C ATOM 225 C PRO A 17 -7.509 26.645 -2.819 1.00 1.57 C ATOM 226 O PRO A 17 -8.485 26.402 -3.536 1.00 2.05 O ATOM 227 CB PRO A 17 -5.401 25.154 -2.897 1.00 3.06 C ATOM 228 CG PRO A 17 -5.146 23.659 -2.765 1.00 3.15 C ATOM 229 CD PRO A 17 -6.533 23.042 -2.752 1.00 2.25 C ATOM 0 HA PRO A 17 -6.658 25.791 -1.137 1.00 1.96 H new ATOM 0 HB2 PRO A 17 -5.463 25.446 -3.945 1.00 3.06 H new ATOM 0 HB3 PRO A 17 -4.586 25.727 -2.454 1.00 3.06 H new ATOM 0 HG2 PRO A 17 -4.551 23.282 -3.597 1.00 3.15 H new ATOM 0 HG3 PRO A 17 -4.599 23.428 -1.851 1.00 3.15 H new ATOM 0 HD2 PRO A 17 -6.847 22.749 -3.754 1.00 2.25 H new ATOM 0 HD3 PRO A 17 -6.563 22.145 -2.134 1.00 2.25 H new ATOM 237 N PRO A 18 -7.124 27.943 -2.646 1.00 1.61 N ATOM 238 CA PRO A 18 -7.735 29.078 -3.403 1.00 1.97 C ATOM 239 C PRO A 18 -7.697 29.004 -4.968 1.00 1.85 C ATOM 240 O PRO A 18 -8.652 29.440 -5.618 1.00 2.27 O ATOM 241 CB PRO A 18 -6.970 30.299 -2.853 1.00 2.77 C ATOM 242 CG PRO A 18 -5.634 29.748 -2.355 1.00 2.96 C ATOM 243 CD PRO A 18 -5.969 28.358 -1.825 1.00 2.30 C ATOM 0 HA PRO A 18 -8.813 29.095 -3.246 1.00 1.97 H new ATOM 0 HB2 PRO A 18 -6.821 31.051 -3.628 1.00 2.77 H new ATOM 0 HB3 PRO A 18 -7.523 30.778 -2.045 1.00 2.77 H new ATOM 0 HG2 PRO A 18 -4.900 29.700 -3.159 1.00 2.96 H new ATOM 0 HG3 PRO A 18 -5.210 30.379 -1.574 1.00 2.96 H new ATOM 0 HD2 PRO A 18 -5.129 27.672 -1.939 1.00 2.30 H new ATOM 0 HD3 PRO A 18 -6.219 28.383 -0.764 1.00 2.30 H new ATOM 251 N GLY A 19 -6.615 28.448 -5.546 1.00 1.91 N ATOM 252 CA GLY A 19 -6.504 28.196 -6.999 1.00 2.07 C ATOM 253 C GLY A 19 -7.173 26.889 -7.464 1.00 1.69 C ATOM 254 O GLY A 19 -8.094 26.918 -8.285 1.00 2.05 O ATOM 0 H GLY A 19 -5.791 28.160 -5.019 1.00 1.91 H new ATOM 0 HA2 GLY A 19 -6.951 29.032 -7.537 1.00 2.07 H new ATOM 0 HA3 GLY A 19 -5.449 28.169 -7.273 1.00 2.07 H new ATOM 258 N GLU A 20 -6.698 25.755 -6.921 1.00 1.64 N ATOM 259 CA GLU A 20 -7.233 24.408 -7.223 1.00 1.49 C ATOM 260 C GLU A 20 -8.652 24.195 -6.623 1.00 1.16 C ATOM 261 O GLU A 20 -9.030 24.832 -5.640 1.00 1.85 O ATOM 262 CB GLU A 20 -6.241 23.332 -6.700 1.00 2.37 C ATOM 263 CG GLU A 20 -4.818 23.308 -7.307 1.00 3.27 C ATOM 264 CD GLU A 20 -3.797 24.146 -6.536 1.00 3.73 C ATOM 265 OE1 GLU A 20 -3.653 25.354 -6.828 1.00 4.10 O ATOM 266 OE2 GLU A 20 -3.134 23.598 -5.630 1.00 4.15 O ATOM 0 H GLU A 20 -5.926 25.743 -6.254 1.00 1.64 H new ATOM 0 HA GLU A 20 -7.335 24.314 -8.304 1.00 1.49 H new ATOM 0 HB2 GLU A 20 -6.143 23.462 -5.622 1.00 2.37 H new ATOM 0 HB3 GLU A 20 -6.692 22.353 -6.864 1.00 2.37 H new ATOM 0 HG2 GLU A 20 -4.469 22.276 -7.347 1.00 3.27 H new ATOM 0 HG3 GLU A 20 -4.867 23.669 -8.334 1.00 3.27 H new ATOM 273 N ASN A 21 -9.444 23.331 -7.270 1.00 0.91 N ATOM 274 CA ASN A 21 -10.880 23.088 -6.948 1.00 1.67 C ATOM 275 C ASN A 21 -11.321 21.667 -7.398 1.00 1.45 C ATOM 276 O ASN A 21 -11.899 20.920 -6.603 1.00 1.86 O ATOM 277 CB ASN A 21 -11.804 24.189 -7.543 1.00 2.60 C ATOM 278 CG ASN A 21 -11.748 25.531 -6.784 1.00 3.51 C ATOM 279 OD1 ASN A 21 -12.111 25.635 -5.617 1.00 4.06 O ATOM 280 ND2 ASN A 21 -11.217 26.579 -7.379 1.00 4.09 N ATOM 0 H ASN A 21 -9.110 22.764 -8.049 1.00 0.91 H new ATOM 0 HA ASN A 21 -10.984 23.141 -5.864 1.00 1.67 H new ATOM 0 HB2 ASN A 21 -11.526 24.359 -8.583 1.00 2.60 H new ATOM 0 HB3 ASN A 21 -12.832 23.826 -7.543 1.00 2.60 H new ATOM 0 HD21 ASN A 21 -11.114 27.457 -6.870 1.00 4.09 H new ATOM 0 HD22 ASN A 21 -10.909 26.513 -8.349 1.00 4.09 H new ATOM 287 N LEU A 22 -11.050 21.299 -8.664 1.00 1.00 N ATOM 288 CA LEU A 22 -11.347 19.958 -9.218 1.00 0.87 C ATOM 289 C LEU A 22 -10.505 18.842 -8.569 1.00 0.76 C ATOM 290 O LEU A 22 -9.359 19.051 -8.173 1.00 0.93 O ATOM 291 CB LEU A 22 -11.154 20.018 -10.752 1.00 0.92 C ATOM 292 CG LEU A 22 -9.747 20.307 -11.323 1.00 1.05 C ATOM 293 CD1 LEU A 22 -8.998 19.068 -11.787 1.00 1.73 C ATOM 294 CD2 LEU A 22 -9.811 21.355 -12.434 1.00 1.03 C ATOM 0 H LEU A 22 -10.615 21.927 -9.340 1.00 1.00 H new ATOM 0 HA LEU A 22 -12.379 19.697 -8.985 1.00 0.87 H new ATOM 0 HB2 LEU A 22 -11.485 19.064 -11.162 1.00 0.92 H new ATOM 0 HB3 LEU A 22 -11.828 20.782 -11.138 1.00 0.92 H new ATOM 0 HG LEU A 22 -9.169 20.705 -10.489 1.00 1.05 H new ATOM 0 HD11 LEU A 22 -8.021 19.357 -12.174 1.00 1.73 H new ATOM 0 HD12 LEU A 22 -8.869 18.385 -10.947 1.00 1.73 H new ATOM 0 HD13 LEU A 22 -9.567 18.572 -12.573 1.00 1.73 H new ATOM 0 HD21 LEU A 22 -8.808 21.540 -12.818 1.00 1.03 H new ATOM 0 HD22 LEU A 22 -10.447 20.991 -13.241 1.00 1.03 H new ATOM 0 HD23 LEU A 22 -10.224 22.282 -12.036 1.00 1.03 H new ATOM 306 N CYS A 23 -11.092 17.654 -8.482 1.00 0.64 N ATOM 307 CA CYS A 23 -10.401 16.480 -7.935 1.00 0.62 C ATOM 308 C CYS A 23 -9.712 15.671 -9.045 1.00 0.59 C ATOM 309 O CYS A 23 -10.368 15.290 -10.014 1.00 0.75 O ATOM 310 CB CYS A 23 -11.468 15.601 -7.301 1.00 0.77 C ATOM 311 SG CYS A 23 -11.984 16.167 -5.690 1.00 1.00 S ATOM 0 H CYS A 23 -12.049 17.472 -8.783 1.00 0.64 H new ATOM 0 HA CYS A 23 -9.641 16.800 -7.223 1.00 0.62 H new ATOM 0 HB2 CYS A 23 -12.336 15.562 -7.960 1.00 0.77 H new ATOM 0 HB3 CYS A 23 -11.087 14.583 -7.216 1.00 0.77 H new ATOM 316 N TYR A 24 -8.425 15.360 -8.838 1.00 0.56 N ATOM 317 CA TYR A 24 -7.634 14.508 -9.748 1.00 0.61 C ATOM 318 C TYR A 24 -7.338 13.114 -9.140 1.00 0.58 C ATOM 319 O TYR A 24 -7.267 12.929 -7.922 1.00 0.64 O ATOM 320 CB TYR A 24 -6.369 15.283 -10.242 1.00 0.73 C ATOM 321 CG TYR A 24 -5.090 15.232 -9.375 1.00 0.69 C ATOM 322 CD1 TYR A 24 -4.310 14.074 -9.312 1.00 1.22 C ATOM 323 CD2 TYR A 24 -4.714 16.331 -8.606 1.00 1.37 C ATOM 324 CE1 TYR A 24 -3.178 14.012 -8.515 1.00 1.22 C ATOM 325 CE2 TYR A 24 -3.582 16.280 -7.803 1.00 1.44 C ATOM 326 CZ TYR A 24 -2.821 15.117 -7.747 1.00 0.82 C ATOM 327 OH TYR A 24 -1.780 15.021 -6.869 1.00 0.95 O ATOM 0 H TYR A 24 -7.897 15.692 -8.031 1.00 0.56 H new ATOM 0 HA TYR A 24 -8.228 14.287 -10.635 1.00 0.61 H new ATOM 0 HB2 TYR A 24 -6.114 14.905 -11.232 1.00 0.73 H new ATOM 0 HB3 TYR A 24 -6.647 16.330 -10.362 1.00 0.73 H new ATOM 0 HD1 TYR A 24 -4.595 13.211 -9.896 1.00 1.22 H new ATOM 0 HD2 TYR A 24 -5.309 17.232 -8.635 1.00 1.37 H new ATOM 0 HE1 TYR A 24 -2.578 13.114 -8.490 1.00 1.22 H new ATOM 0 HE2 TYR A 24 -3.293 17.143 -7.222 1.00 1.44 H new ATOM 0 HH TYR A 24 -1.658 15.879 -6.411 1.00 0.95 H new ATOM 337 N ARG A 25 -7.052 12.177 -10.050 1.00 0.58 N ATOM 338 CA ARG A 25 -6.642 10.797 -9.714 1.00 0.59 C ATOM 339 C ARG A 25 -5.559 10.329 -10.709 1.00 0.63 C ATOM 340 O ARG A 25 -5.767 10.310 -11.928 1.00 0.80 O ATOM 341 CB ARG A 25 -7.862 9.857 -9.701 1.00 0.70 C ATOM 342 CG ARG A 25 -8.749 9.856 -10.975 1.00 1.13 C ATOM 343 CD ARG A 25 -10.224 9.593 -10.649 1.00 1.31 C ATOM 344 NE ARG A 25 -10.771 8.506 -11.483 1.00 1.53 N ATOM 345 CZ ARG A 25 -11.944 7.901 -11.242 1.00 1.57 C ATOM 346 NH1 ARG A 25 -12.761 8.245 -10.246 1.00 1.89 N ATOM 347 NH2 ARG A 25 -12.298 6.912 -12.037 1.00 2.11 N ATOM 0 H ARG A 25 -7.097 12.351 -11.054 1.00 0.58 H new ATOM 0 HA ARG A 25 -6.215 10.774 -8.711 1.00 0.59 H new ATOM 0 HB2 ARG A 25 -7.508 8.840 -9.531 1.00 0.70 H new ATOM 0 HB3 ARG A 25 -8.488 10.123 -8.849 1.00 0.70 H new ATOM 0 HG2 ARG A 25 -8.656 10.816 -11.482 1.00 1.13 H new ATOM 0 HG3 ARG A 25 -8.389 9.094 -11.666 1.00 1.13 H new ATOM 0 HD2 ARG A 25 -10.325 9.332 -9.596 1.00 1.31 H new ATOM 0 HD3 ARG A 25 -10.802 10.503 -10.809 1.00 1.31 H new ATOM 0 HE ARG A 25 -10.227 8.197 -12.288 1.00 1.53 H new ATOM 0 HH11 ARG A 25 -12.506 9.006 -9.617 1.00 1.89 H new ATOM 0 HH12 ARG A 25 -13.641 7.747 -10.113 1.00 1.89 H new ATOM 0 HH21 ARG A 25 -11.687 6.631 -12.804 1.00 2.11 H new ATOM 0 HH22 ARG A 25 -13.183 6.428 -11.885 1.00 2.11 H new ATOM 361 N LYS A 26 -4.411 9.928 -10.148 1.00 0.62 N ATOM 362 CA LYS A 26 -3.264 9.424 -10.930 1.00 0.72 C ATOM 363 C LYS A 26 -3.152 7.902 -10.799 1.00 0.62 C ATOM 364 O LYS A 26 -3.036 7.372 -9.688 1.00 0.64 O ATOM 365 CB LYS A 26 -1.946 10.063 -10.432 1.00 0.92 C ATOM 366 CG LYS A 26 -1.279 10.934 -11.505 1.00 1.20 C ATOM 367 CD LYS A 26 0.250 10.840 -11.542 1.00 1.46 C ATOM 368 CE LYS A 26 0.896 11.302 -10.228 1.00 1.88 C ATOM 369 NZ LYS A 26 2.342 11.068 -10.256 1.00 2.73 N ATOM 0 H LYS A 26 -4.247 9.942 -9.141 1.00 0.62 H new ATOM 0 HA LYS A 26 -3.429 9.691 -11.974 1.00 0.72 H new ATOM 0 HB2 LYS A 26 -2.150 10.670 -9.550 1.00 0.92 H new ATOM 0 HB3 LYS A 26 -1.257 9.276 -10.126 1.00 0.92 H new ATOM 0 HG2 LYS A 26 -1.671 10.649 -12.481 1.00 1.20 H new ATOM 0 HG3 LYS A 26 -1.562 11.973 -11.339 1.00 1.20 H new ATOM 0 HD2 LYS A 26 0.543 9.810 -11.746 1.00 1.46 H new ATOM 0 HD3 LYS A 26 0.629 11.448 -12.364 1.00 1.46 H new ATOM 0 HE2 LYS A 26 0.696 12.362 -10.071 1.00 1.88 H new ATOM 0 HE3 LYS A 26 0.451 10.766 -9.389 1.00 1.88 H new ATOM 0 HZ1 LYS A 26 2.763 11.386 -9.360 1.00 2.73 H new ATOM 0 HZ2 LYS A 26 2.527 10.053 -10.384 1.00 2.73 H new ATOM 0 HZ3 LYS A 26 2.764 11.599 -11.044 1.00 2.73 H new ATOM 383 N MET A 27 -3.145 7.219 -11.952 1.00 0.60 N ATOM 384 CA MET A 27 -3.202 5.742 -11.985 1.00 0.62 C ATOM 385 C MET A 27 -2.270 5.197 -13.086 1.00 0.67 C ATOM 386 O MET A 27 -2.213 5.726 -14.201 1.00 0.68 O ATOM 387 CB MET A 27 -4.618 5.108 -12.053 1.00 0.72 C ATOM 388 CG MET A 27 -5.788 5.939 -11.514 1.00 1.14 C ATOM 389 SD MET A 27 -6.232 7.195 -12.724 1.00 1.70 S ATOM 390 CE MET A 27 -7.776 6.499 -13.328 1.00 2.05 C ATOM 0 H MET A 27 -3.101 7.658 -12.872 1.00 0.60 H new ATOM 0 HA MET A 27 -2.844 5.426 -11.005 1.00 0.62 H new ATOM 0 HB2 MET A 27 -4.829 4.865 -13.094 1.00 0.72 H new ATOM 0 HB3 MET A 27 -4.592 4.166 -11.505 1.00 0.72 H new ATOM 0 HG2 MET A 27 -6.643 5.295 -11.311 1.00 1.14 H new ATOM 0 HG3 MET A 27 -5.511 6.409 -10.570 1.00 1.14 H new ATOM 0 HE1 MET A 27 -8.196 7.153 -14.092 1.00 2.05 H new ATOM 0 HE2 MET A 27 -7.588 5.514 -13.756 1.00 2.05 H new ATOM 0 HE3 MET A 27 -8.481 6.407 -12.502 1.00 2.05 H new ATOM 400 N TRP A 28 -1.579 4.102 -12.740 1.00 0.77 N ATOM 401 CA TRP A 28 -0.721 3.319 -13.676 1.00 0.88 C ATOM 402 C TRP A 28 -1.095 1.821 -13.847 1.00 0.87 C ATOM 403 O TRP A 28 -0.244 0.962 -14.102 1.00 1.61 O ATOM 404 CB TRP A 28 0.772 3.546 -13.312 1.00 1.23 C ATOM 405 CG TRP A 28 1.259 3.218 -11.909 1.00 1.00 C ATOM 406 CD1 TRP A 28 1.330 1.936 -11.338 1.00 1.21 C ATOM 407 CD2 TRP A 28 1.664 4.100 -10.927 1.00 0.91 C ATOM 408 NE1 TRP A 28 1.789 1.995 -10.020 1.00 1.27 N ATOM 409 CE2 TRP A 28 2.013 3.338 -9.788 1.00 1.11 C ATOM 410 CE3 TRP A 28 1.619 5.517 -10.861 1.00 1.05 C ATOM 411 CZ2 TRP A 28 2.370 3.984 -8.585 1.00 1.39 C ATOM 412 CZ3 TRP A 28 1.964 6.135 -9.659 1.00 1.33 C ATOM 413 CH2 TRP A 28 2.353 5.381 -8.543 1.00 1.48 C ATOM 0 H TRP A 28 -1.592 3.721 -11.794 1.00 0.77 H new ATOM 0 HA TRP A 28 -0.914 3.709 -14.675 1.00 0.88 H new ATOM 0 HB2 TRP A 28 1.371 2.962 -14.011 1.00 1.23 H new ATOM 0 HB3 TRP A 28 0.998 4.596 -13.499 1.00 1.23 H new ATOM 0 HD1 TRP A 28 1.064 1.024 -11.851 1.00 1.21 H new ATOM 0 HE1 TRP A 28 1.928 1.219 -9.373 1.00 1.27 H new ATOM 0 HE3 TRP A 28 1.325 6.102 -11.720 1.00 1.05 H new ATOM 0 HZ2 TRP A 28 2.651 3.410 -7.714 1.00 1.39 H new ATOM 0 HZ3 TRP A 28 1.931 7.212 -9.587 1.00 1.33 H new ATOM 0 HH2 TRP A 28 2.645 5.888 -7.635 1.00 1.48 H new ATOM 424 N CYS A 29 -2.396 1.545 -13.785 1.00 0.86 N ATOM 425 CA CYS A 29 -2.974 0.201 -13.938 1.00 1.03 C ATOM 426 C CYS A 29 -4.274 0.312 -14.782 1.00 1.26 C ATOM 427 O CYS A 29 -4.392 -0.411 -15.775 1.00 1.85 O ATOM 428 CB CYS A 29 -3.165 -0.402 -12.538 1.00 1.22 C ATOM 429 SG CYS A 29 -3.693 -2.100 -12.714 1.00 1.84 S ATOM 0 H CYS A 29 -3.100 2.265 -13.623 1.00 0.86 H new ATOM 0 HA CYS A 29 -2.320 -0.481 -14.481 1.00 1.03 H new ATOM 0 HB2 CYS A 29 -2.233 -0.352 -11.975 1.00 1.22 H new ATOM 0 HB3 CYS A 29 -3.906 0.168 -11.979 1.00 1.22 H new ATOM 434 N ASP A 30 -5.220 1.214 -14.403 1.00 1.04 N ATOM 435 CA ASP A 30 -6.469 1.534 -15.151 1.00 1.44 C ATOM 436 C ASP A 30 -7.258 0.314 -15.706 1.00 1.56 C ATOM 437 O ASP A 30 -7.383 0.132 -16.922 1.00 1.85 O ATOM 438 CB ASP A 30 -6.214 2.639 -16.220 1.00 1.76 C ATOM 439 CG ASP A 30 -7.459 3.449 -16.631 1.00 2.21 C ATOM 440 OD1 ASP A 30 -8.355 3.687 -15.788 1.00 2.37 O ATOM 441 OD2 ASP A 30 -7.540 3.859 -17.809 1.00 2.80 O ATOM 0 H ASP A 30 -5.132 1.755 -13.543 1.00 1.04 H new ATOM 0 HA ASP A 30 -7.153 1.935 -14.403 1.00 1.44 H new ATOM 0 HB2 ASP A 30 -5.462 3.328 -15.836 1.00 1.76 H new ATOM 0 HB3 ASP A 30 -5.793 2.172 -17.110 1.00 1.76 H new ATOM 446 N ALA A 31 -7.705 -0.553 -14.787 1.00 1.83 N ATOM 447 CA ALA A 31 -8.218 -1.903 -15.113 1.00 2.02 C ATOM 448 C ALA A 31 -8.480 -2.579 -13.744 1.00 1.89 C ATOM 449 O ALA A 31 -9.585 -2.469 -13.205 1.00 2.15 O ATOM 450 CB ALA A 31 -7.313 -2.720 -16.093 1.00 2.23 C ATOM 0 H ALA A 31 -7.723 -0.342 -13.789 1.00 1.83 H new ATOM 0 HA ALA A 31 -9.138 -1.846 -15.694 1.00 2.02 H new ATOM 0 HB1 ALA A 31 -7.764 -3.695 -16.277 1.00 2.23 H new ATOM 0 HB2 ALA A 31 -7.218 -2.181 -17.035 1.00 2.23 H new ATOM 0 HB3 ALA A 31 -6.326 -2.854 -15.650 1.00 2.23 H new ATOM 456 N PHE A 32 -7.474 -3.304 -13.220 1.00 1.86 N ATOM 457 CA PHE A 32 -7.621 -4.269 -12.108 1.00 1.79 C ATOM 458 C PHE A 32 -6.192 -4.864 -11.929 1.00 1.58 C ATOM 459 O PHE A 32 -5.819 -5.870 -12.539 1.00 2.22 O ATOM 460 CB PHE A 32 -8.743 -5.354 -12.297 1.00 2.06 C ATOM 461 CG PHE A 32 -8.599 -6.333 -13.488 1.00 2.47 C ATOM 462 CD1 PHE A 32 -8.836 -5.905 -14.800 1.00 2.97 C ATOM 463 CD2 PHE A 32 -8.084 -7.616 -13.274 1.00 3.17 C ATOM 464 CE1 PHE A 32 -8.492 -6.714 -15.878 1.00 3.88 C ATOM 465 CE2 PHE A 32 -7.754 -8.431 -14.353 1.00 4.09 C ATOM 466 CZ PHE A 32 -7.952 -7.976 -15.655 1.00 4.36 C ATOM 0 H PHE A 32 -6.516 -3.236 -13.563 1.00 1.86 H new ATOM 0 HA PHE A 32 -7.981 -3.770 -11.208 1.00 1.79 H new ATOM 0 HB2 PHE A 32 -8.798 -5.944 -11.382 1.00 2.06 H new ATOM 0 HB3 PHE A 32 -9.697 -4.837 -12.401 1.00 2.06 H new ATOM 0 HD1 PHE A 32 -9.289 -4.940 -14.976 1.00 2.97 H new ATOM 0 HD2 PHE A 32 -7.942 -7.976 -12.266 1.00 3.17 H new ATOM 0 HE1 PHE A 32 -8.644 -6.362 -16.888 1.00 3.88 H new ATOM 0 HE2 PHE A 32 -7.345 -9.416 -14.181 1.00 4.09 H new ATOM 0 HZ PHE A 32 -7.686 -8.604 -16.492 1.00 4.36 H new ATOM 476 N CYS A 33 -5.374 -4.244 -11.076 1.00 1.26 N ATOM 477 CA CYS A 33 -4.150 -4.885 -10.525 1.00 1.26 C ATOM 478 C CYS A 33 -4.382 -5.866 -9.338 1.00 1.51 C ATOM 479 O CYS A 33 -3.399 -6.266 -8.706 1.00 2.29 O ATOM 480 CB CYS A 33 -3.120 -3.787 -10.192 1.00 1.45 C ATOM 481 SG CYS A 33 -2.387 -3.229 -11.730 1.00 2.00 S ATOM 0 H CYS A 33 -5.528 -3.292 -10.742 1.00 1.26 H new ATOM 0 HA CYS A 33 -3.761 -5.542 -11.303 1.00 1.26 H new ATOM 0 HB2 CYS A 33 -3.602 -2.956 -9.676 1.00 1.45 H new ATOM 0 HB3 CYS A 33 -2.352 -4.175 -9.523 1.00 1.45 H new ATOM 486 N SER A 34 -5.640 -6.297 -9.050 1.00 1.56 N ATOM 487 CA SER A 34 -5.977 -7.230 -7.945 1.00 1.85 C ATOM 488 C SER A 34 -5.725 -6.592 -6.559 1.00 1.66 C ATOM 489 O SER A 34 -4.846 -5.731 -6.417 1.00 2.12 O ATOM 490 CB SER A 34 -5.268 -8.601 -8.094 1.00 2.44 C ATOM 491 OG SER A 34 -6.066 -9.647 -7.562 1.00 3.11 O ATOM 0 H SER A 34 -6.456 -6.002 -9.586 1.00 1.56 H new ATOM 0 HA SER A 34 -7.047 -7.428 -8.016 1.00 1.85 H new ATOM 0 HB2 SER A 34 -5.062 -8.795 -9.147 1.00 2.44 H new ATOM 0 HB3 SER A 34 -4.307 -8.575 -7.581 1.00 2.44 H new ATOM 0 HG SER A 34 -5.599 -10.502 -7.669 1.00 3.11 H new ATOM 497 N SER A 35 -6.458 -7.039 -5.519 1.00 1.81 N ATOM 498 CA SER A 35 -6.249 -6.553 -4.126 1.00 1.96 C ATOM 499 C SER A 35 -6.928 -5.163 -3.976 1.00 1.77 C ATOM 500 O SER A 35 -8.046 -5.058 -3.463 1.00 2.46 O ATOM 501 CB SER A 35 -4.758 -6.673 -3.640 1.00 2.20 C ATOM 502 OG SER A 35 -4.627 -7.522 -2.513 1.00 2.93 O ATOM 0 H SER A 35 -7.199 -7.734 -5.610 1.00 1.81 H new ATOM 0 HA SER A 35 -6.747 -7.213 -3.416 1.00 1.96 H new ATOM 0 HB2 SER A 35 -4.142 -7.056 -4.454 1.00 2.20 H new ATOM 0 HB3 SER A 35 -4.378 -5.682 -3.392 1.00 2.20 H new ATOM 0 HG SER A 35 -3.685 -7.569 -2.246 1.00 2.93 H new ATOM 508 N ARG A 36 -6.244 -4.119 -4.463 1.00 1.33 N ATOM 509 CA ARG A 36 -6.708 -2.721 -4.400 1.00 1.25 C ATOM 510 C ARG A 36 -6.852 -2.126 -5.808 1.00 1.39 C ATOM 511 O ARG A 36 -6.300 -1.058 -6.056 1.00 2.00 O ATOM 512 CB ARG A 36 -5.670 -1.960 -3.529 1.00 1.14 C ATOM 513 CG ARG A 36 -6.160 -1.402 -2.192 1.00 1.08 C ATOM 514 CD ARG A 36 -6.879 -2.379 -1.271 1.00 1.98 C ATOM 515 NE ARG A 36 -6.139 -3.647 -1.089 1.00 2.71 N ATOM 516 CZ ARG A 36 -6.671 -4.734 -0.526 1.00 3.27 C ATOM 517 NH1 ARG A 36 -7.871 -4.745 0.040 1.00 3.16 N ATOM 518 NH2 ARG A 36 -5.979 -5.848 -0.562 1.00 4.23 N ATOM 0 H ARG A 36 -5.338 -4.221 -4.920 1.00 1.33 H new ATOM 0 HA ARG A 36 -7.700 -2.642 -3.954 1.00 1.25 H new ATOM 0 HB2 ARG A 36 -4.837 -2.634 -3.330 1.00 1.14 H new ATOM 0 HB3 ARG A 36 -5.276 -1.131 -4.118 1.00 1.14 H new ATOM 0 HG2 ARG A 36 -5.302 -0.997 -1.656 1.00 1.08 H new ATOM 0 HG3 ARG A 36 -6.831 -0.568 -2.396 1.00 1.08 H new ATOM 0 HD2 ARG A 36 -7.031 -1.910 -0.299 1.00 1.98 H new ATOM 0 HD3 ARG A 36 -7.867 -2.595 -1.678 1.00 1.98 H new ATOM 0 HE ARG A 36 -5.172 -3.693 -1.410 1.00 2.71 H new ATOM 0 HH11 ARG A 36 -8.434 -3.895 0.059 1.00 3.16 H new ATOM 0 HH12 ARG A 36 -8.231 -5.604 0.456 1.00 3.16 H new ATOM 0 HH21 ARG A 36 -5.063 -5.865 -1.011 1.00 4.23 H new ATOM 0 HH22 ARG A 36 -6.357 -6.697 -0.141 1.00 4.23 H new ATOM 532 N GLY A 37 -7.629 -2.740 -6.719 1.00 1.32 N ATOM 533 CA GLY A 37 -7.895 -2.181 -8.068 1.00 1.61 C ATOM 534 C GLY A 37 -6.668 -1.576 -8.783 1.00 1.36 C ATOM 535 O GLY A 37 -5.817 -2.306 -9.257 1.00 1.63 O ATOM 0 H GLY A 37 -8.091 -3.633 -6.547 1.00 1.32 H new ATOM 0 HA2 GLY A 37 -8.308 -2.970 -8.696 1.00 1.61 H new ATOM 0 HA3 GLY A 37 -8.661 -1.410 -7.980 1.00 1.61 H new ATOM 539 N LYS A 38 -6.514 -0.256 -8.701 1.00 1.15 N ATOM 540 CA LYS A 38 -5.337 0.482 -9.238 1.00 1.09 C ATOM 541 C LYS A 38 -4.738 1.437 -8.174 1.00 1.08 C ATOM 542 O LYS A 38 -5.439 1.883 -7.261 1.00 1.87 O ATOM 543 CB LYS A 38 -5.744 1.256 -10.518 1.00 1.11 C ATOM 544 CG LYS A 38 -7.099 1.988 -10.497 1.00 1.85 C ATOM 545 CD LYS A 38 -8.222 1.187 -11.178 1.00 2.42 C ATOM 546 CE LYS A 38 -9.523 1.211 -10.374 1.00 3.25 C ATOM 547 NZ LYS A 38 -10.543 0.400 -11.045 1.00 3.72 N ATOM 0 H LYS A 38 -7.202 0.352 -8.258 1.00 1.15 H new ATOM 0 HA LYS A 38 -4.561 -0.239 -9.495 1.00 1.09 H new ATOM 0 HB2 LYS A 38 -4.967 1.990 -10.730 1.00 1.11 H new ATOM 0 HB3 LYS A 38 -5.753 0.552 -11.350 1.00 1.11 H new ATOM 0 HG2 LYS A 38 -7.380 2.192 -9.464 1.00 1.85 H new ATOM 0 HG3 LYS A 38 -6.993 2.952 -10.995 1.00 1.85 H new ATOM 0 HD2 LYS A 38 -8.405 1.595 -12.172 1.00 2.42 H new ATOM 0 HD3 LYS A 38 -7.899 0.155 -11.311 1.00 2.42 H new ATOM 0 HE2 LYS A 38 -9.346 0.828 -9.369 1.00 3.25 H new ATOM 0 HE3 LYS A 38 -9.875 2.237 -10.267 1.00 3.25 H new ATOM 0 HZ1 LYS A 38 -11.423 0.422 -10.492 1.00 3.72 H new ATOM 0 HZ2 LYS A 38 -10.721 0.783 -11.995 1.00 3.72 H new ATOM 0 HZ3 LYS A 38 -10.209 -0.582 -11.125 1.00 3.72 H new ATOM 561 N VAL A 39 -3.426 1.742 -8.310 1.00 0.88 N ATOM 562 CA VAL A 39 -2.679 2.741 -7.470 1.00 0.84 C ATOM 563 C VAL A 39 -3.471 3.991 -6.977 1.00 0.90 C ATOM 564 O VAL A 39 -3.395 4.312 -5.793 1.00 1.84 O ATOM 565 CB VAL A 39 -1.348 3.219 -8.122 1.00 0.89 C ATOM 566 CG1 VAL A 39 -1.568 3.793 -9.523 1.00 0.86 C ATOM 567 CG2 VAL A 39 -0.511 4.196 -7.239 1.00 0.96 C ATOM 0 H VAL A 39 -2.836 1.300 -9.015 1.00 0.88 H new ATOM 0 HA VAL A 39 -2.478 2.144 -6.581 1.00 0.84 H new ATOM 0 HB VAL A 39 -0.746 2.315 -8.212 1.00 0.89 H new ATOM 0 HG11 VAL A 39 -0.613 4.114 -9.939 1.00 0.86 H new ATOM 0 HG12 VAL A 39 -2.005 3.028 -10.165 1.00 0.86 H new ATOM 0 HG13 VAL A 39 -2.243 4.647 -9.465 1.00 0.86 H new ATOM 0 HG21 VAL A 39 0.398 4.478 -7.770 1.00 0.96 H new ATOM 0 HG22 VAL A 39 -1.099 5.089 -7.027 1.00 0.96 H new ATOM 0 HG23 VAL A 39 -0.247 3.705 -6.303 1.00 0.96 H new ATOM 577 N VAL A 40 -4.122 4.722 -7.903 1.00 0.79 N ATOM 578 CA VAL A 40 -5.050 5.855 -7.610 1.00 0.72 C ATOM 579 C VAL A 40 -4.618 6.807 -6.466 1.00 0.85 C ATOM 580 O VAL A 40 -4.855 6.556 -5.276 1.00 1.58 O ATOM 581 CB VAL A 40 -6.526 5.412 -7.436 1.00 0.70 C ATOM 582 CG1 VAL A 40 -7.135 4.749 -8.679 1.00 0.64 C ATOM 583 CG2 VAL A 40 -6.684 4.528 -6.199 1.00 0.90 C ATOM 0 H VAL A 40 -4.021 4.544 -8.902 1.00 0.79 H new ATOM 0 HA VAL A 40 -4.978 6.452 -8.519 1.00 0.72 H new ATOM 0 HB VAL A 40 -7.098 6.329 -7.293 1.00 0.70 H new ATOM 0 HG11 VAL A 40 -8.168 4.470 -8.473 1.00 0.64 H new ATOM 0 HG12 VAL A 40 -7.108 5.448 -9.515 1.00 0.64 H new ATOM 0 HG13 VAL A 40 -6.562 3.857 -8.933 1.00 0.64 H new ATOM 0 HG21 VAL A 40 -7.727 4.229 -6.096 1.00 0.90 H new ATOM 0 HG22 VAL A 40 -6.061 3.640 -6.304 1.00 0.90 H new ATOM 0 HG23 VAL A 40 -6.377 5.084 -5.313 1.00 0.90 H new ATOM 593 N GLU A 41 -3.956 7.883 -6.852 1.00 0.64 N ATOM 594 CA GLU A 41 -3.484 8.878 -5.884 1.00 0.65 C ATOM 595 C GLU A 41 -4.380 10.099 -6.076 1.00 0.63 C ATOM 596 O GLU A 41 -4.260 10.858 -7.045 1.00 0.66 O ATOM 597 CB GLU A 41 -1.986 9.145 -6.080 1.00 0.72 C ATOM 598 CG GLU A 41 -1.088 8.016 -5.508 1.00 0.84 C ATOM 599 CD GLU A 41 0.089 8.542 -4.682 1.00 1.36 C ATOM 600 OE1 GLU A 41 0.775 9.489 -5.126 1.00 2.09 O ATOM 601 OE2 GLU A 41 0.321 8.019 -3.570 1.00 1.95 O ATOM 0 H GLU A 41 -3.730 8.097 -7.823 1.00 0.64 H new ATOM 0 HA GLU A 41 -3.561 8.544 -4.849 1.00 0.65 H new ATOM 0 HB2 GLU A 41 -1.780 9.262 -7.144 1.00 0.72 H new ATOM 0 HB3 GLU A 41 -1.725 10.088 -5.599 1.00 0.72 H new ATOM 0 HG2 GLU A 41 -1.695 7.358 -4.886 1.00 0.84 H new ATOM 0 HG3 GLU A 41 -0.705 7.413 -6.331 1.00 0.84 H new ATOM 608 N LEU A 42 -5.270 10.266 -5.091 1.00 0.65 N ATOM 609 CA LEU A 42 -6.156 11.433 -5.008 1.00 0.71 C ATOM 610 C LEU A 42 -5.358 12.739 -4.726 1.00 0.65 C ATOM 611 O LEU A 42 -4.153 12.742 -4.435 1.00 0.94 O ATOM 612 CB LEU A 42 -7.249 11.144 -3.938 1.00 1.06 C ATOM 613 CG LEU A 42 -8.330 10.054 -4.197 1.00 1.01 C ATOM 614 CD1 LEU A 42 -8.949 10.103 -5.599 1.00 1.85 C ATOM 615 CD2 LEU A 42 -7.919 8.593 -3.966 1.00 1.92 C ATOM 0 H LEU A 42 -5.396 9.598 -4.331 1.00 0.65 H new ATOM 0 HA LEU A 42 -6.646 11.600 -5.967 1.00 0.71 H new ATOM 0 HB2 LEU A 42 -6.735 10.876 -3.015 1.00 1.06 H new ATOM 0 HB3 LEU A 42 -7.773 12.081 -3.750 1.00 1.06 H new ATOM 0 HG LEU A 42 -9.049 10.337 -3.428 1.00 1.01 H new ATOM 0 HD11 LEU A 42 -9.692 9.311 -5.697 1.00 1.85 H new ATOM 0 HD12 LEU A 42 -9.428 11.070 -5.752 1.00 1.85 H new ATOM 0 HD13 LEU A 42 -8.168 9.962 -6.347 1.00 1.85 H new ATOM 0 HD21 LEU A 42 -8.764 7.939 -4.182 1.00 1.92 H new ATOM 0 HD22 LEU A 42 -7.087 8.341 -4.623 1.00 1.92 H new ATOM 0 HD23 LEU A 42 -7.614 8.461 -2.928 1.00 1.92 H new ATOM 627 N GLY A 43 -6.062 13.856 -4.880 1.00 0.56 N ATOM 628 CA GLY A 43 -5.458 15.185 -4.742 1.00 0.62 C ATOM 629 C GLY A 43 -6.298 16.221 -5.486 1.00 0.57 C ATOM 630 O GLY A 43 -6.896 15.945 -6.527 1.00 0.79 O ATOM 0 H GLY A 43 -7.057 13.871 -5.102 1.00 0.56 H new ATOM 0 HA2 GLY A 43 -5.386 15.453 -3.688 1.00 0.62 H new ATOM 0 HA3 GLY A 43 -4.443 15.175 -5.139 1.00 0.62 H new ATOM 634 N CYS A 44 -6.269 17.450 -4.971 1.00 0.63 N ATOM 635 CA CYS A 44 -6.895 18.607 -5.648 1.00 0.60 C ATOM 636 C CYS A 44 -5.993 19.186 -6.782 1.00 0.66 C ATOM 637 O CYS A 44 -4.761 19.177 -6.704 1.00 0.78 O ATOM 638 CB CYS A 44 -7.216 19.674 -4.589 1.00 0.65 C ATOM 639 SG CYS A 44 -8.394 20.813 -5.328 1.00 1.11 S ATOM 0 H CYS A 44 -5.819 17.680 -4.085 1.00 0.63 H new ATOM 0 HA CYS A 44 -7.813 18.279 -6.135 1.00 0.60 H new ATOM 0 HB2 CYS A 44 -7.634 19.214 -3.693 1.00 0.65 H new ATOM 0 HB3 CYS A 44 -6.311 20.199 -4.285 1.00 0.65 H new ATOM 644 N ALA A 45 -6.646 19.677 -7.841 1.00 0.71 N ATOM 645 CA ALA A 45 -6.001 20.256 -9.050 1.00 0.86 C ATOM 646 C ALA A 45 -6.765 21.524 -9.518 1.00 0.80 C ATOM 647 O ALA A 45 -7.862 21.835 -9.058 1.00 0.82 O ATOM 648 CB ALA A 45 -5.941 19.199 -10.174 1.00 1.10 C ATOM 0 H ALA A 45 -7.665 19.688 -7.893 1.00 0.71 H new ATOM 0 HA ALA A 45 -4.982 20.551 -8.801 1.00 0.86 H new ATOM 0 HB1 ALA A 45 -5.467 19.632 -11.055 1.00 1.10 H new ATOM 0 HB2 ALA A 45 -5.362 18.340 -9.835 1.00 1.10 H new ATOM 0 HB3 ALA A 45 -6.952 18.878 -10.426 1.00 1.10 H new ATOM 654 N ALA A 46 -6.142 22.279 -10.428 1.00 0.98 N ATOM 655 CA ALA A 46 -6.739 23.488 -11.071 1.00 1.01 C ATOM 656 C ALA A 46 -7.117 23.310 -12.568 1.00 1.01 C ATOM 657 O ALA A 46 -8.065 23.954 -13.029 1.00 1.35 O ATOM 658 CB ALA A 46 -5.748 24.661 -10.914 1.00 1.16 C ATOM 0 H ALA A 46 -5.196 22.078 -10.753 1.00 0.98 H new ATOM 0 HA ALA A 46 -7.683 23.682 -10.561 1.00 1.01 H new ATOM 0 HB1 ALA A 46 -6.166 25.555 -11.378 1.00 1.16 H new ATOM 0 HB2 ALA A 46 -5.573 24.850 -9.855 1.00 1.16 H new ATOM 0 HB3 ALA A 46 -4.805 24.408 -11.399 1.00 1.16 H new ATOM 664 N THR A 47 -6.386 22.456 -13.306 1.00 0.96 N ATOM 665 CA THR A 47 -6.615 22.161 -14.743 1.00 1.08 C ATOM 666 C THR A 47 -7.096 20.698 -14.926 1.00 1.05 C ATOM 667 O THR A 47 -6.856 19.818 -14.091 1.00 1.74 O ATOM 668 CB THR A 47 -5.326 22.430 -15.597 1.00 1.36 C ATOM 669 OG1 THR A 47 -4.157 22.694 -14.819 1.00 1.87 O ATOM 670 CG2 THR A 47 -5.539 23.598 -16.566 1.00 1.89 C ATOM 0 H THR A 47 -5.600 21.936 -12.916 1.00 0.96 H new ATOM 0 HA THR A 47 -7.395 22.833 -15.101 1.00 1.08 H new ATOM 0 HB THR A 47 -5.156 21.502 -16.143 1.00 1.36 H new ATOM 0 HG1 THR A 47 -3.395 22.850 -15.416 1.00 1.87 H new ATOM 0 HG21 THR A 47 -4.630 23.761 -17.144 1.00 1.89 H new ATOM 0 HG22 THR A 47 -6.362 23.365 -17.242 1.00 1.89 H new ATOM 0 HG23 THR A 47 -5.777 24.500 -16.002 1.00 1.89 H new ATOM 678 N CYS A 48 -7.777 20.456 -16.060 1.00 0.97 N ATOM 679 CA CYS A 48 -8.276 19.110 -16.401 1.00 1.13 C ATOM 680 C CYS A 48 -8.120 18.884 -17.932 1.00 1.20 C ATOM 681 O CYS A 48 -9.107 19.064 -18.654 1.00 1.53 O ATOM 682 CB CYS A 48 -9.709 18.904 -15.848 1.00 1.72 C ATOM 683 SG CYS A 48 -9.914 17.141 -15.613 1.00 2.14 S ATOM 0 H CYS A 48 -7.994 21.171 -16.754 1.00 0.97 H new ATOM 0 HA CYS A 48 -7.682 18.335 -15.917 1.00 1.13 H new ATOM 0 HB2 CYS A 48 -9.843 19.439 -14.908 1.00 1.72 H new ATOM 0 HB3 CYS A 48 -10.453 19.292 -16.544 1.00 1.72 H new ATOM 688 N PRO A 49 -6.935 18.472 -18.487 1.00 1.56 N ATOM 689 CA PRO A 49 -6.805 18.113 -19.920 1.00 2.15 C ATOM 690 C PRO A 49 -7.443 16.723 -20.235 1.00 2.09 C ATOM 691 O PRO A 49 -8.066 16.079 -19.380 1.00 2.39 O ATOM 692 CB PRO A 49 -5.273 18.183 -20.110 1.00 2.79 C ATOM 693 CG PRO A 49 -4.694 17.723 -18.773 1.00 2.68 C ATOM 694 CD PRO A 49 -5.681 18.256 -17.730 1.00 1.94 C ATOM 0 HA PRO A 49 -7.339 18.763 -20.612 1.00 2.15 H new ATOM 0 HB2 PRO A 49 -4.945 17.539 -20.926 1.00 2.79 H new ATOM 0 HB3 PRO A 49 -4.950 19.195 -20.354 1.00 2.79 H new ATOM 0 HG2 PRO A 49 -4.614 16.637 -18.727 1.00 2.68 H new ATOM 0 HG3 PRO A 49 -3.693 18.123 -18.614 1.00 2.68 H new ATOM 0 HD2 PRO A 49 -5.825 17.543 -16.918 1.00 1.94 H new ATOM 0 HD3 PRO A 49 -5.323 19.183 -17.281 1.00 1.94 H new ATOM 702 N SER A 50 -7.307 16.293 -21.494 1.00 2.30 N ATOM 703 CA SER A 50 -7.851 15.000 -21.972 1.00 2.34 C ATOM 704 C SER A 50 -7.346 14.816 -23.414 1.00 2.04 C ATOM 705 O SER A 50 -7.585 15.651 -24.295 1.00 2.08 O ATOM 706 CB SER A 50 -9.398 14.938 -21.940 1.00 2.76 C ATOM 707 OG SER A 50 -9.898 13.768 -22.582 1.00 2.97 O ATOM 0 H SER A 50 -6.819 16.824 -22.215 1.00 2.30 H new ATOM 0 HA SER A 50 -7.512 14.204 -21.309 1.00 2.34 H new ATOM 0 HB2 SER A 50 -9.740 14.958 -20.905 1.00 2.76 H new ATOM 0 HB3 SER A 50 -9.807 15.823 -22.429 1.00 2.76 H new ATOM 0 HG SER A 50 -10.877 13.765 -22.539 1.00 2.97 H new ATOM 713 N LYS A 51 -6.657 13.692 -23.630 1.00 1.96 N ATOM 714 CA LYS A 51 -6.059 13.336 -24.944 1.00 1.82 C ATOM 715 C LYS A 51 -5.389 11.952 -24.820 1.00 1.92 C ATOM 716 O LYS A 51 -4.180 11.811 -25.047 1.00 2.66 O ATOM 717 CB LYS A 51 -5.054 14.390 -25.501 1.00 2.05 C ATOM 718 CG LYS A 51 -3.988 14.830 -24.471 1.00 2.73 C ATOM 719 CD LYS A 51 -2.975 15.839 -25.011 1.00 3.01 C ATOM 720 CE LYS A 51 -2.529 16.814 -23.905 1.00 3.15 C ATOM 721 NZ LYS A 51 -1.125 17.199 -24.073 1.00 3.75 N ATOM 0 H LYS A 51 -6.491 12.994 -22.905 1.00 1.96 H new ATOM 0 HA LYS A 51 -6.870 13.314 -25.672 1.00 1.82 H new ATOM 0 HB2 LYS A 51 -4.553 13.976 -26.376 1.00 2.05 H new ATOM 0 HB3 LYS A 51 -5.608 15.267 -25.836 1.00 2.05 H new ATOM 0 HG2 LYS A 51 -4.491 15.264 -23.607 1.00 2.73 H new ATOM 0 HG3 LYS A 51 -3.453 13.948 -24.119 1.00 2.73 H new ATOM 0 HD2 LYS A 51 -2.108 15.312 -25.409 1.00 3.01 H new ATOM 0 HD3 LYS A 51 -3.416 16.397 -25.837 1.00 3.01 H new ATOM 0 HE2 LYS A 51 -3.158 17.704 -23.926 1.00 3.15 H new ATOM 0 HE3 LYS A 51 -2.667 16.349 -22.929 1.00 3.15 H new ATOM 0 HZ1 LYS A 51 -0.852 17.856 -23.314 1.00 3.75 H new ATOM 0 HZ2 LYS A 51 -0.525 16.351 -24.029 1.00 3.75 H new ATOM 0 HZ3 LYS A 51 -1.000 17.664 -24.995 1.00 3.75 H new ATOM 735 N LYS A 52 -6.178 10.904 -24.507 1.00 1.73 N ATOM 736 CA LYS A 52 -5.699 9.499 -24.509 1.00 1.99 C ATOM 737 C LYS A 52 -4.455 9.356 -23.570 1.00 2.03 C ATOM 738 O LYS A 52 -3.330 9.287 -24.082 1.00 2.44 O ATOM 739 CB LYS A 52 -5.495 8.912 -25.934 1.00 2.51 C ATOM 740 CG LYS A 52 -6.297 9.490 -27.125 1.00 2.65 C ATOM 741 CD LYS A 52 -5.554 10.652 -27.835 1.00 2.79 C ATOM 742 CE LYS A 52 -5.197 10.350 -29.292 1.00 3.32 C ATOM 743 NZ LYS A 52 -4.306 11.387 -29.839 1.00 3.86 N ATOM 0 H LYS A 52 -7.159 11.002 -24.247 1.00 1.73 H new ATOM 0 HA LYS A 52 -6.490 8.873 -24.096 1.00 1.99 H new ATOM 0 HB2 LYS A 52 -4.437 9.008 -26.177 1.00 2.51 H new ATOM 0 HB3 LYS A 52 -5.714 7.846 -25.881 1.00 2.51 H new ATOM 0 HG2 LYS A 52 -6.495 8.696 -27.845 1.00 2.65 H new ATOM 0 HG3 LYS A 52 -7.264 9.845 -26.769 1.00 2.65 H new ATOM 0 HD2 LYS A 52 -6.177 11.546 -27.800 1.00 2.79 H new ATOM 0 HD3 LYS A 52 -4.641 10.878 -27.285 1.00 2.79 H new ATOM 0 HE2 LYS A 52 -4.712 9.376 -29.358 1.00 3.32 H new ATOM 0 HE3 LYS A 52 -6.107 10.294 -29.890 1.00 3.32 H new ATOM 0 HZ1 LYS A 52 -4.077 11.162 -30.828 1.00 3.86 H new ATOM 0 HZ2 LYS A 52 -4.781 12.311 -29.796 1.00 3.86 H new ATOM 0 HZ3 LYS A 52 -3.430 11.422 -29.280 1.00 3.86 H new ATOM 757 N PRO A 53 -4.581 9.436 -22.219 1.00 1.67 N ATOM 758 CA PRO A 53 -3.408 9.379 -21.313 1.00 1.72 C ATOM 759 C PRO A 53 -2.551 8.094 -21.439 1.00 1.83 C ATOM 760 O PRO A 53 -1.320 8.164 -21.376 1.00 2.33 O ATOM 761 CB PRO A 53 -4.078 9.534 -19.940 1.00 1.43 C ATOM 762 CG PRO A 53 -5.503 9.022 -20.070 1.00 1.32 C ATOM 763 CD PRO A 53 -5.874 9.357 -21.509 1.00 1.35 C ATOM 0 HA PRO A 53 -2.662 10.142 -21.536 1.00 1.72 H new ATOM 0 HB2 PRO A 53 -3.535 8.970 -19.182 1.00 1.43 H new ATOM 0 HB3 PRO A 53 -4.072 10.578 -19.626 1.00 1.43 H new ATOM 0 HG2 PRO A 53 -5.563 7.950 -19.880 1.00 1.32 H new ATOM 0 HG3 PRO A 53 -6.171 9.510 -19.360 1.00 1.32 H new ATOM 0 HD2 PRO A 53 -6.517 8.590 -21.941 1.00 1.35 H new ATOM 0 HD3 PRO A 53 -6.417 10.300 -21.569 1.00 1.35 H new ATOM 771 N TYR A 54 -3.231 6.937 -21.601 1.00 1.86 N ATOM 772 CA TYR A 54 -2.605 5.593 -21.546 1.00 2.03 C ATOM 773 C TYR A 54 -1.959 5.250 -20.165 1.00 1.61 C ATOM 774 O TYR A 54 -1.139 4.330 -20.129 1.00 1.90 O ATOM 775 CB TYR A 54 -1.661 5.342 -22.772 1.00 2.59 C ATOM 776 CG TYR A 54 -2.188 5.758 -24.164 1.00 3.07 C ATOM 777 CD1 TYR A 54 -3.409 5.263 -24.638 1.00 3.60 C ATOM 778 CD2 TYR A 54 -1.504 6.722 -24.915 1.00 3.50 C ATOM 779 CE1 TYR A 54 -3.916 5.695 -25.857 1.00 4.18 C ATOM 780 CE2 TYR A 54 -2.016 7.157 -26.133 1.00 4.07 C ATOM 781 CZ TYR A 54 -3.208 6.623 -26.618 1.00 4.28 C ATOM 782 OH TYR A 54 -3.756 7.106 -27.777 1.00 4.97 O ATOM 0 H TYR A 54 -4.236 6.907 -21.775 1.00 1.86 H new ATOM 0 HA TYR A 54 -3.418 4.872 -21.634 1.00 2.03 H new ATOM 0 HB2 TYR A 54 -0.725 5.872 -22.592 1.00 2.59 H new ATOM 0 HB3 TYR A 54 -1.424 4.279 -22.804 1.00 2.59 H new ATOM 0 HD1 TYR A 54 -3.960 4.541 -24.053 1.00 3.60 H new ATOM 0 HD2 TYR A 54 -0.574 7.130 -24.547 1.00 3.50 H new ATOM 0 HE1 TYR A 54 -4.860 5.311 -26.215 1.00 4.18 H new ATOM 0 HE2 TYR A 54 -1.490 7.909 -26.703 1.00 4.07 H new ATOM 0 HH TYR A 54 -3.138 7.745 -28.190 1.00 4.97 H new ATOM 792 N GLU A 55 -2.333 5.989 -19.075 1.00 1.21 N ATOM 793 CA GLU A 55 -1.569 6.183 -17.813 1.00 0.95 C ATOM 794 C GLU A 55 -1.195 7.687 -17.687 1.00 1.11 C ATOM 795 O GLU A 55 -0.136 8.115 -18.162 1.00 1.69 O ATOM 796 CB GLU A 55 -0.338 5.271 -17.638 1.00 1.34 C ATOM 797 CG GLU A 55 0.499 5.416 -16.371 1.00 2.12 C ATOM 798 CD GLU A 55 1.512 4.268 -16.298 1.00 2.85 C ATOM 799 OE1 GLU A 55 1.127 3.089 -16.488 1.00 2.91 O ATOM 800 OE2 GLU A 55 2.695 4.535 -16.005 1.00 3.81 O ATOM 0 H GLU A 55 -3.222 6.489 -19.058 1.00 1.21 H new ATOM 0 HA GLU A 55 -2.224 5.877 -16.998 1.00 0.95 H new ATOM 0 HB2 GLU A 55 -0.680 4.238 -17.693 1.00 1.34 H new ATOM 0 HB3 GLU A 55 0.320 5.435 -18.491 1.00 1.34 H new ATOM 0 HG2 GLU A 55 1.018 6.375 -16.372 1.00 2.12 H new ATOM 0 HG3 GLU A 55 -0.146 5.404 -15.492 1.00 2.12 H new ATOM 807 N GLU A 56 -2.050 8.480 -17.017 1.00 0.96 N ATOM 808 CA GLU A 56 -1.741 9.897 -16.687 1.00 1.51 C ATOM 809 C GLU A 56 -2.666 10.344 -15.509 1.00 1.30 C ATOM 810 O GLU A 56 -3.063 9.546 -14.650 1.00 1.21 O ATOM 811 CB GLU A 56 -1.803 10.793 -17.973 1.00 2.15 C ATOM 812 CG GLU A 56 -0.822 11.979 -18.009 1.00 2.99 C ATOM 813 CD GLU A 56 -1.240 13.073 -19.002 1.00 3.85 C ATOM 814 OE1 GLU A 56 -2.380 13.584 -18.905 1.00 4.28 O ATOM 815 OE2 GLU A 56 -0.425 13.434 -19.878 1.00 4.49 O ATOM 0 H GLU A 56 -2.965 8.169 -16.689 1.00 0.96 H new ATOM 0 HA GLU A 56 -0.716 10.014 -16.335 1.00 1.51 H new ATOM 0 HB2 GLU A 56 -1.614 10.163 -18.842 1.00 2.15 H new ATOM 0 HB3 GLU A 56 -2.817 11.181 -18.075 1.00 2.15 H new ATOM 0 HG2 GLU A 56 -0.746 12.411 -17.011 1.00 2.99 H new ATOM 0 HG3 GLU A 56 0.170 11.615 -18.275 1.00 2.99 H new ATOM 822 N VAL A 57 -2.965 11.654 -15.466 1.00 1.36 N ATOM 823 CA VAL A 57 -3.711 12.299 -14.375 1.00 1.19 C ATOM 824 C VAL A 57 -5.065 12.734 -14.985 1.00 1.22 C ATOM 825 O VAL A 57 -5.128 13.626 -15.841 1.00 1.36 O ATOM 826 CB VAL A 57 -2.930 13.502 -13.738 1.00 1.17 C ATOM 827 CG1 VAL A 57 -3.536 13.774 -12.355 1.00 1.08 C ATOM 828 CG2 VAL A 57 -1.382 13.397 -13.662 1.00 1.24 C ATOM 0 H VAL A 57 -2.690 12.304 -16.202 1.00 1.36 H new ATOM 0 HA VAL A 57 -3.859 11.607 -13.546 1.00 1.19 H new ATOM 0 HB VAL A 57 -3.062 14.335 -14.428 1.00 1.17 H new ATOM 0 HG11 VAL A 57 -3.013 14.607 -11.886 1.00 1.08 H new ATOM 0 HG12 VAL A 57 -4.592 14.023 -12.463 1.00 1.08 H new ATOM 0 HG13 VAL A 57 -3.435 12.885 -11.732 1.00 1.08 H new ATOM 0 HG21 VAL A 57 -0.978 14.298 -13.200 1.00 1.24 H new ATOM 0 HG22 VAL A 57 -1.105 12.528 -13.065 1.00 1.24 H new ATOM 0 HG23 VAL A 57 -0.975 13.292 -14.668 1.00 1.24 H new ATOM 838 N THR A 58 -6.136 12.086 -14.510 1.00 1.15 N ATOM 839 CA THR A 58 -7.532 12.447 -14.870 1.00 1.23 C ATOM 840 C THR A 58 -8.133 13.327 -13.745 1.00 1.13 C ATOM 841 O THR A 58 -7.496 13.574 -12.721 1.00 1.40 O ATOM 842 CB THR A 58 -8.397 11.172 -15.144 1.00 1.32 C ATOM 843 OG1 THR A 58 -7.632 10.098 -15.687 1.00 2.05 O ATOM 844 CG2 THR A 58 -9.552 11.462 -16.125 1.00 1.69 C ATOM 0 H THR A 58 -6.070 11.297 -13.866 1.00 1.15 H new ATOM 0 HA THR A 58 -7.531 13.020 -15.797 1.00 1.23 H new ATOM 0 HB THR A 58 -8.791 10.883 -14.170 1.00 1.32 H new ATOM 0 HG1 THR A 58 -8.215 9.325 -15.839 1.00 2.05 H new ATOM 0 HG21 THR A 58 -10.128 10.551 -16.288 1.00 1.69 H new ATOM 0 HG22 THR A 58 -10.201 12.231 -15.706 1.00 1.69 H new ATOM 0 HG23 THR A 58 -9.144 11.809 -17.075 1.00 1.69 H new ATOM 852 N CYS A 59 -9.358 13.834 -13.960 1.00 0.93 N ATOM 853 CA CYS A 59 -10.050 14.713 -12.996 1.00 0.90 C ATOM 854 C CYS A 59 -11.520 15.010 -13.406 1.00 0.90 C ATOM 855 O CYS A 59 -12.018 14.593 -14.457 1.00 1.04 O ATOM 856 CB CYS A 59 -9.243 16.016 -12.782 1.00 1.16 C ATOM 857 SG CYS A 59 -8.503 16.573 -14.323 1.00 1.83 S ATOM 0 H CYS A 59 -9.898 13.648 -14.805 1.00 0.93 H new ATOM 0 HA CYS A 59 -10.104 14.179 -12.047 1.00 0.90 H new ATOM 0 HB2 CYS A 59 -9.897 16.793 -12.387 1.00 1.16 H new ATOM 0 HB3 CYS A 59 -8.463 15.848 -12.039 1.00 1.16 H new ATOM 862 N CYS A 60 -12.214 15.747 -12.520 1.00 0.86 N ATOM 863 CA CYS A 60 -13.616 16.167 -12.712 1.00 0.98 C ATOM 864 C CYS A 60 -13.805 17.549 -12.040 1.00 0.98 C ATOM 865 O CYS A 60 -13.513 17.709 -10.848 1.00 0.96 O ATOM 866 CB CYS A 60 -14.510 15.068 -12.113 1.00 1.14 C ATOM 867 SG CYS A 60 -16.157 15.664 -11.737 1.00 1.25 S ATOM 0 H CYS A 60 -11.813 16.072 -11.640 1.00 0.86 H new ATOM 0 HA CYS A 60 -13.887 16.284 -13.761 1.00 0.98 H new ATOM 0 HB2 CYS A 60 -14.578 14.236 -12.814 1.00 1.14 H new ATOM 0 HB3 CYS A 60 -14.049 14.683 -11.204 1.00 1.14 H new ATOM 872 N SER A 61 -14.323 18.520 -12.830 1.00 1.21 N ATOM 873 CA SER A 61 -14.494 19.945 -12.413 1.00 1.39 C ATOM 874 C SER A 61 -15.679 20.152 -11.431 1.00 1.42 C ATOM 875 O SER A 61 -16.762 20.625 -11.794 1.00 2.28 O ATOM 876 CB SER A 61 -14.599 20.912 -13.626 1.00 1.89 C ATOM 877 OG SER A 61 -13.835 20.511 -14.757 1.00 2.44 O ATOM 0 H SER A 61 -14.638 18.341 -13.783 1.00 1.21 H new ATOM 0 HA SER A 61 -13.583 20.197 -11.870 1.00 1.39 H new ATOM 0 HB2 SER A 61 -15.645 20.997 -13.920 1.00 1.89 H new ATOM 0 HB3 SER A 61 -14.274 21.905 -13.315 1.00 1.89 H new ATOM 0 HG SER A 61 -13.951 21.164 -15.478 1.00 2.44 H new ATOM 883 N THR A 62 -15.472 19.720 -10.181 1.00 1.00 N ATOM 884 CA THR A 62 -16.543 19.606 -9.168 1.00 1.32 C ATOM 885 C THR A 62 -15.850 19.406 -7.779 1.00 1.02 C ATOM 886 O THR A 62 -14.650 19.642 -7.577 1.00 1.79 O ATOM 887 CB THR A 62 -17.641 18.509 -9.495 1.00 2.15 C ATOM 888 OG1 THR A 62 -17.702 18.095 -10.856 1.00 2.63 O ATOM 889 CG2 THR A 62 -19.053 18.955 -9.074 1.00 3.22 C ATOM 0 H THR A 62 -14.555 19.437 -9.836 1.00 1.00 H new ATOM 0 HA THR A 62 -17.130 20.524 -9.163 1.00 1.32 H new ATOM 0 HB THR A 62 -17.309 17.654 -8.906 1.00 2.15 H new ATOM 0 HG1 THR A 62 -17.401 17.165 -10.929 1.00 2.63 H new ATOM 0 HG21 THR A 62 -19.770 18.171 -9.318 1.00 3.22 H new ATOM 0 HG22 THR A 62 -19.071 19.141 -8.000 1.00 3.22 H new ATOM 0 HG23 THR A 62 -19.319 19.869 -9.605 1.00 3.22 H new ATOM 897 N ASP A 63 -16.658 18.981 -6.798 1.00 0.90 N ATOM 898 CA ASP A 63 -16.234 18.749 -5.409 1.00 0.94 C ATOM 899 C ASP A 63 -15.428 17.427 -5.245 1.00 0.97 C ATOM 900 O ASP A 63 -14.516 17.171 -6.034 1.00 1.43 O ATOM 901 CB ASP A 63 -17.485 18.975 -4.505 1.00 1.43 C ATOM 902 CG ASP A 63 -18.647 17.953 -4.565 1.00 1.76 C ATOM 903 OD1 ASP A 63 -18.843 17.284 -5.605 1.00 1.91 O ATOM 904 OD2 ASP A 63 -19.355 17.806 -3.545 1.00 2.71 O ATOM 0 H ASP A 63 -17.647 18.784 -6.951 1.00 0.90 H new ATOM 0 HA ASP A 63 -15.485 19.464 -5.069 1.00 0.94 H new ATOM 0 HB2 ASP A 63 -17.141 19.022 -3.472 1.00 1.43 H new ATOM 0 HB3 ASP A 63 -17.895 19.955 -4.749 1.00 1.43 H new ATOM 909 N LYS A 64 -15.768 16.611 -4.230 1.00 0.78 N ATOM 910 CA LYS A 64 -15.474 15.158 -4.161 1.00 0.81 C ATOM 911 C LYS A 64 -16.081 14.362 -5.363 1.00 0.84 C ATOM 912 O LYS A 64 -17.063 13.622 -5.266 1.00 0.99 O ATOM 913 CB LYS A 64 -15.981 14.689 -2.767 1.00 1.00 C ATOM 914 CG LYS A 64 -17.511 14.686 -2.539 1.00 1.13 C ATOM 915 CD LYS A 64 -17.936 14.773 -1.069 1.00 1.41 C ATOM 916 CE LYS A 64 -19.236 14.008 -0.800 1.00 1.64 C ATOM 917 NZ LYS A 64 -19.708 14.272 0.566 1.00 2.15 N ATOM 0 H LYS A 64 -16.270 16.949 -3.409 1.00 0.78 H new ATOM 0 HA LYS A 64 -14.406 14.960 -4.256 1.00 0.81 H new ATOM 0 HB2 LYS A 64 -15.611 13.678 -2.595 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -15.527 15.328 -2.009 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -17.948 15.525 -3.080 1.00 1.13 H new ATOM 0 HG3 LYS A 64 -17.928 13.776 -2.971 1.00 1.13 H new ATOM 0 HD2 LYS A 64 -17.143 14.372 -0.438 1.00 1.41 H new ATOM 0 HD3 LYS A 64 -18.067 15.819 -0.791 1.00 1.41 H new ATOM 0 HE2 LYS A 64 -19.998 14.307 -1.520 1.00 1.64 H new ATOM 0 HE3 LYS A 64 -19.072 12.939 -0.935 1.00 1.64 H new ATOM 0 HZ1 LYS A 64 -20.590 13.748 0.736 1.00 2.15 H new ATOM 0 HZ2 LYS A 64 -18.986 13.965 1.248 1.00 2.15 H new ATOM 0 HZ3 LYS A 64 -19.883 15.291 0.682 1.00 2.15 H new ATOM 931 N CYS A 65 -15.434 14.546 -6.511 1.00 0.83 N ATOM 932 CA CYS A 65 -15.750 13.866 -7.792 1.00 0.95 C ATOM 933 C CYS A 65 -14.766 12.720 -8.212 1.00 0.95 C ATOM 934 O CYS A 65 -14.992 12.017 -9.200 1.00 1.06 O ATOM 935 CB CYS A 65 -15.731 14.999 -8.824 1.00 1.10 C ATOM 936 SG CYS A 65 -16.742 14.526 -10.229 1.00 1.09 S ATOM 0 H CYS A 65 -14.648 15.191 -6.592 1.00 0.83 H new ATOM 0 HA CYS A 65 -16.703 13.345 -7.705 1.00 0.95 H new ATOM 0 HB2 CYS A 65 -16.110 15.919 -8.380 1.00 1.10 H new ATOM 0 HB3 CYS A 65 -14.709 15.198 -9.146 1.00 1.10 H new ATOM 941 N ASN A 66 -13.717 12.519 -7.404 1.00 0.96 N ATOM 942 CA ASN A 66 -12.862 11.327 -7.370 1.00 1.07 C ATOM 943 C ASN A 66 -13.239 10.204 -6.323 1.00 0.96 C ATOM 944 O ASN A 66 -12.321 9.400 -6.155 1.00 1.07 O ATOM 945 CB ASN A 66 -11.435 11.917 -7.103 1.00 1.28 C ATOM 946 CG ASN A 66 -11.205 12.580 -5.704 1.00 1.03 C ATOM 947 OD1 ASN A 66 -12.125 12.667 -4.899 1.00 1.66 O ATOM 948 ND2 ASN A 66 -10.040 13.138 -5.401 1.00 1.32 N ATOM 0 H ASN A 66 -13.428 13.220 -6.722 1.00 0.96 H new ATOM 0 HA ASN A 66 -12.965 10.775 -8.304 1.00 1.07 H new ATOM 0 HB2 ASN A 66 -10.706 11.116 -7.225 1.00 1.28 H new ATOM 0 HB3 ASN A 66 -11.224 12.660 -7.872 1.00 1.28 H new ATOM 0 HD21 ASN A 66 -9.924 13.627 -4.513 1.00 1.32 H new ATOM 0 HD22 ASN A 66 -9.260 13.078 -6.056 1.00 1.32 H new ATOM 955 N PRO A 67 -14.431 10.026 -5.624 1.00 0.93 N ATOM 956 CA PRO A 67 -14.713 8.924 -4.671 1.00 1.02 C ATOM 957 C PRO A 67 -14.405 7.553 -5.266 1.00 1.09 C ATOM 958 O PRO A 67 -15.168 6.982 -6.056 1.00 1.93 O ATOM 959 CB PRO A 67 -16.214 9.040 -4.322 1.00 1.08 C ATOM 960 CG PRO A 67 -16.582 10.487 -4.585 1.00 1.16 C ATOM 961 CD PRO A 67 -15.551 10.962 -5.604 1.00 1.00 C ATOM 0 HA PRO A 67 -14.079 9.012 -3.789 1.00 1.02 H new ATOM 0 HB2 PRO A 67 -16.812 8.366 -4.935 1.00 1.08 H new ATOM 0 HB3 PRO A 67 -16.397 8.772 -3.281 1.00 1.08 H new ATOM 0 HG2 PRO A 67 -17.596 10.574 -4.975 1.00 1.16 H new ATOM 0 HG3 PRO A 67 -16.540 11.080 -3.671 1.00 1.16 H new ATOM 0 HD2 PRO A 67 -16.003 11.028 -6.594 1.00 1.00 H new ATOM 0 HD3 PRO A 67 -15.201 11.962 -5.346 1.00 1.00 H new ATOM 969 N HIS A 68 -13.212 7.081 -4.910 1.00 0.98 N ATOM 970 CA HIS A 68 -12.738 5.788 -5.375 1.00 1.06 C ATOM 971 C HIS A 68 -13.604 4.605 -4.865 1.00 1.35 C ATOM 972 O HIS A 68 -14.032 3.855 -5.749 1.00 1.66 O ATOM 973 CB HIS A 68 -11.252 5.553 -5.078 1.00 1.38 C ATOM 974 CG HIS A 68 -10.705 4.454 -5.985 1.00 1.13 C ATOM 975 ND1 HIS A 68 -11.271 3.903 -7.137 1.00 1.80 N ATOM 976 CD2 HIS A 68 -9.615 3.735 -5.619 1.00 1.29 C ATOM 977 CE1 HIS A 68 -10.422 2.874 -7.349 1.00 2.38 C ATOM 978 NE2 HIS A 68 -9.361 2.733 -6.531 1.00 1.97 N ATOM 0 H HIS A 68 -12.560 7.577 -4.302 1.00 0.98 H new ATOM 0 HA HIS A 68 -12.847 5.821 -6.459 1.00 1.06 H new ATOM 0 HB2 HIS A 68 -10.692 6.475 -5.232 1.00 1.38 H new ATOM 0 HB3 HIS A 68 -11.122 5.272 -4.033 1.00 1.38 H new ATOM 0 HD1 HIS A 68 -12.092 4.195 -7.667 1.00 1.80 H new ATOM 0 HD2 HIS A 68 -9.026 3.922 -4.733 1.00 1.29 H new ATOM 0 HE1 HIS A 68 -10.590 2.178 -8.158 1.00 2.38 H new ATOM 987 N PRO A 69 -13.924 4.408 -3.546 1.00 1.95 N ATOM 988 CA PRO A 69 -14.906 3.393 -3.113 1.00 2.40 C ATOM 989 C PRO A 69 -16.246 3.488 -3.885 1.00 2.06 C ATOM 990 O PRO A 69 -16.484 2.643 -4.755 1.00 2.48 O ATOM 991 CB PRO A 69 -14.987 3.613 -1.588 1.00 3.45 C ATOM 992 CG PRO A 69 -14.502 5.039 -1.343 1.00 3.63 C ATOM 993 CD PRO A 69 -13.438 5.232 -2.411 1.00 2.71 C ATOM 0 HA PRO A 69 -14.615 2.367 -3.340 1.00 2.40 H new ATOM 0 HB2 PRO A 69 -16.007 3.481 -1.228 1.00 3.45 H new ATOM 0 HB3 PRO A 69 -14.365 2.893 -1.056 1.00 3.45 H new ATOM 0 HG2 PRO A 69 -15.311 5.763 -1.445 1.00 3.63 H new ATOM 0 HG3 PRO A 69 -14.092 5.158 -0.340 1.00 3.63 H new ATOM 0 HD2 PRO A 69 -13.338 6.281 -2.692 1.00 2.71 H new ATOM 0 HD3 PRO A 69 -12.459 4.900 -2.065 1.00 2.71 H new ATOM 1001 N LYS A 70 -17.078 4.517 -3.612 1.00 2.11 N ATOM 1002 CA LYS A 70 -18.456 4.623 -4.176 1.00 2.24 C ATOM 1003 C LYS A 70 -19.326 3.315 -4.105 1.00 1.96 C ATOM 1004 O LYS A 70 -20.136 3.023 -4.990 1.00 2.51 O ATOM 1005 CB LYS A 70 -18.348 5.245 -5.599 1.00 3.00 C ATOM 1006 CG LYS A 70 -19.659 5.839 -6.163 1.00 3.45 C ATOM 1007 CD LYS A 70 -19.841 7.350 -5.937 1.00 3.89 C ATOM 1008 CE LYS A 70 -19.931 7.754 -4.453 1.00 4.78 C ATOM 1009 NZ LYS A 70 -20.383 9.141 -4.296 1.00 5.50 N ATOM 0 H LYS A 70 -16.824 5.294 -3.002 1.00 2.11 H new ATOM 0 HA LYS A 70 -19.034 5.285 -3.530 1.00 2.24 H new ATOM 0 HB2 LYS A 70 -17.593 6.030 -5.578 1.00 3.00 H new ATOM 0 HB3 LYS A 70 -17.991 4.478 -6.286 1.00 3.00 H new ATOM 0 HG2 LYS A 70 -19.699 5.640 -7.234 1.00 3.45 H new ATOM 0 HG3 LYS A 70 -20.501 5.316 -5.710 1.00 3.45 H new ATOM 0 HD2 LYS A 70 -19.007 7.879 -6.397 1.00 3.89 H new ATOM 0 HD3 LYS A 70 -20.747 7.677 -6.448 1.00 3.89 H new ATOM 0 HE2 LYS A 70 -20.619 7.086 -3.935 1.00 4.78 H new ATOM 0 HE3 LYS A 70 -18.955 7.634 -3.983 1.00 4.78 H new ATOM 0 HZ1 LYS A 70 -20.432 9.378 -3.285 1.00 5.50 H new ATOM 0 HZ2 LYS A 70 -19.713 9.780 -4.769 1.00 5.50 H new ATOM 0 HZ3 LYS A 70 -21.325 9.249 -4.723 1.00 5.50 H new ATOM 1023 N GLN A 71 -19.113 2.520 -3.044 1.00 1.94 N ATOM 1024 CA GLN A 71 -19.664 1.160 -2.913 1.00 2.43 C ATOM 1025 C GLN A 71 -20.907 1.314 -2.032 1.00 2.01 C ATOM 1026 O GLN A 71 -20.815 1.626 -0.836 1.00 2.59 O ATOM 1027 CB GLN A 71 -18.606 0.178 -2.348 1.00 3.52 C ATOM 1028 CG GLN A 71 -18.102 0.450 -0.904 1.00 4.17 C ATOM 1029 CD GLN A 71 -16.655 0.027 -0.627 1.00 4.95 C ATOM 1030 OE1 GLN A 71 -16.192 -1.041 -1.026 1.00 5.17 O ATOM 1031 NE2 GLN A 71 -15.920 0.869 0.079 1.00 5.73 N ATOM 0 H GLN A 71 -18.548 2.806 -2.244 1.00 1.94 H new ATOM 0 HA GLN A 71 -19.940 0.720 -3.872 1.00 2.43 H new ATOM 0 HB2 GLN A 71 -19.025 -0.828 -2.378 1.00 3.52 H new ATOM 0 HB3 GLN A 71 -17.745 0.185 -3.016 1.00 3.52 H new ATOM 0 HG2 GLN A 71 -18.198 1.516 -0.698 1.00 4.17 H new ATOM 0 HG3 GLN A 71 -18.756 -0.070 -0.204 1.00 4.17 H new ATOM 0 HE21 GLN A 71 -16.321 1.750 0.401 1.00 5.73 H new ATOM 0 HE22 GLN A 71 -14.952 0.638 0.302 1.00 5.73 H new ATOM 1040 N ARG A 72 -22.069 1.154 -2.661 1.00 1.67 N ATOM 1041 CA ARG A 72 -23.347 1.315 -1.956 1.00 1.65 C ATOM 1042 C ARG A 72 -24.274 0.137 -2.353 1.00 1.56 C ATOM 1043 O ARG A 72 -24.463 -0.081 -3.558 1.00 1.99 O ATOM 1044 CB ARG A 72 -23.963 2.708 -2.228 1.00 2.41 C ATOM 1045 CG ARG A 72 -24.733 3.239 -0.999 1.00 3.26 C ATOM 1046 CD ARG A 72 -25.572 4.484 -1.288 1.00 4.15 C ATOM 1047 NE ARG A 72 -26.781 4.118 -2.068 1.00 4.87 N ATOM 1048 CZ ARG A 72 -27.516 4.987 -2.778 1.00 5.69 C ATOM 1049 NH1 ARG A 72 -27.254 6.290 -2.842 1.00 5.89 N ATOM 1050 NH2 ARG A 72 -28.552 4.518 -3.448 1.00 6.56 N ATOM 0 H ARG A 72 -22.157 0.915 -3.649 1.00 1.67 H new ATOM 0 HA ARG A 72 -23.198 1.278 -0.877 1.00 1.65 H new ATOM 0 HB2 ARG A 72 -23.173 3.410 -2.494 1.00 2.41 H new ATOM 0 HB3 ARG A 72 -24.637 2.648 -3.082 1.00 2.41 H new ATOM 0 HG2 ARG A 72 -25.386 2.451 -0.623 1.00 3.26 H new ATOM 0 HG3 ARG A 72 -24.021 3.468 -0.207 1.00 3.26 H new ATOM 0 HD2 ARG A 72 -25.865 4.960 -0.352 1.00 4.15 H new ATOM 0 HD3 ARG A 72 -24.979 5.211 -1.843 1.00 4.15 H new ATOM 0 HE ARG A 72 -27.072 3.140 -2.064 1.00 4.87 H new ATOM 0 HH11 ARG A 72 -26.458 6.676 -2.334 1.00 5.89 H new ATOM 0 HH12 ARG A 72 -27.849 6.903 -3.399 1.00 5.89 H new ATOM 0 HH21 ARG A 72 -28.772 3.523 -3.415 1.00 6.56 H new ATOM 0 HH22 ARG A 72 -29.132 5.151 -3.998 1.00 6.56 H new ATOM 1064 N PRO A 73 -24.903 -0.617 -1.405 1.00 2.13 N ATOM 1065 CA PRO A 73 -25.892 -1.669 -1.749 1.00 2.81 C ATOM 1066 C PRO A 73 -27.215 -1.102 -2.364 1.00 2.58 C ATOM 1067 O PRO A 73 -27.345 0.097 -2.647 1.00 2.68 O ATOM 1068 CB PRO A 73 -26.052 -2.377 -0.382 1.00 3.86 C ATOM 1069 CG PRO A 73 -25.805 -1.303 0.674 1.00 3.88 C ATOM 1070 CD PRO A 73 -24.710 -0.449 0.053 1.00 2.96 C ATOM 0 HA PRO A 73 -25.581 -2.345 -2.545 1.00 2.81 H new ATOM 0 HB2 PRO A 73 -27.049 -2.806 -0.278 1.00 3.86 H new ATOM 0 HB3 PRO A 73 -25.340 -3.196 -0.280 1.00 3.86 H new ATOM 0 HG2 PRO A 73 -26.705 -0.721 0.874 1.00 3.88 H new ATOM 0 HG3 PRO A 73 -25.488 -1.736 1.623 1.00 3.88 H new ATOM 0 HD2 PRO A 73 -24.803 0.596 0.349 1.00 2.96 H new ATOM 0 HD3 PRO A 73 -23.720 -0.782 0.365 1.00 2.96 H new ATOM 1078 N GLY A 74 -28.186 -1.995 -2.587 1.00 2.95 N ATOM 1079 CA GLY A 74 -29.520 -1.593 -3.064 1.00 3.20 C ATOM 1080 C GLY A 74 -30.543 -2.682 -2.750 1.00 3.82 C ATOM 1081 O GLY A 74 -30.844 -2.909 -1.556 1.00 4.34 O ATOM 1082 OXT GLY A 74 -31.060 -3.313 -3.697 1.00 4.25 O ATOM 0 H GLY A 74 -28.076 -2.999 -2.446 1.00 2.95 H new ATOM 0 HA2 GLY A 74 -29.817 -0.657 -2.590 1.00 3.20 H new ATOM 0 HA3 GLY A 74 -29.490 -1.411 -4.138 1.00 3.20 H new TER 1086 GLY A 74 ATOM 1087 N ILE B 178 18.460 -6.597 6.748 1.00 3.68 N ATOM 1088 CA ILE B 178 18.509 -5.122 6.622 1.00 3.02 C ATOM 1089 C ILE B 178 17.390 -4.786 5.598 1.00 2.69 C ATOM 1090 O ILE B 178 17.712 -4.669 4.409 1.00 2.93 O ATOM 1091 CB ILE B 178 19.925 -4.533 6.268 1.00 2.97 C ATOM 1092 CG1 ILE B 178 21.086 -5.050 7.170 1.00 3.37 C ATOM 1093 CG2 ILE B 178 19.900 -2.977 6.258 1.00 3.34 C ATOM 1094 CD1 ILE B 178 21.551 -6.486 6.849 1.00 3.75 C ATOM 0 HA ILE B 178 18.333 -4.635 7.581 1.00 3.02 H new ATOM 0 HB ILE B 178 20.140 -4.903 5.265 1.00 2.97 H new ATOM 0 HG12 ILE B 178 21.936 -4.375 7.070 1.00 3.37 H new ATOM 0 HG13 ILE B 178 20.767 -5.009 8.211 1.00 3.37 H new ATOM 0 HG21 ILE B 178 20.892 -2.599 6.010 1.00 3.34 H new ATOM 0 HG22 ILE B 178 19.183 -2.629 5.514 1.00 3.34 H new ATOM 0 HG23 ILE B 178 19.608 -2.611 7.242 1.00 3.34 H new ATOM 0 HD11 ILE B 178 22.361 -6.765 7.523 1.00 3.75 H new ATOM 0 HD12 ILE B 178 20.717 -7.176 6.978 1.00 3.75 H new ATOM 0 HD13 ILE B 178 21.904 -6.532 5.819 1.00 3.75 H new ATOM 1108 N PRO B 179 16.089 -4.604 5.991 1.00 2.76 N ATOM 1109 CA PRO B 179 15.012 -4.194 5.062 1.00 2.91 C ATOM 1110 C PRO B 179 15.291 -2.793 4.470 1.00 2.36 C ATOM 1111 O PRO B 179 15.203 -1.775 5.167 1.00 2.33 O ATOM 1112 CB PRO B 179 13.736 -4.244 5.930 1.00 3.66 C ATOM 1113 CG PRO B 179 14.087 -5.136 7.119 1.00 3.94 C ATOM 1114 CD PRO B 179 15.581 -4.913 7.341 1.00 3.39 C ATOM 0 HA PRO B 179 14.924 -4.840 4.188 1.00 2.91 H new ATOM 0 HB2 PRO B 179 13.446 -3.246 6.260 1.00 3.66 H new ATOM 0 HB3 PRO B 179 12.895 -4.651 5.369 1.00 3.66 H new ATOM 0 HG2 PRO B 179 13.510 -4.864 8.003 1.00 3.94 H new ATOM 0 HG3 PRO B 179 13.870 -6.183 6.907 1.00 3.94 H new ATOM 0 HD2 PRO B 179 15.765 -4.094 8.036 1.00 3.39 H new ATOM 0 HD3 PRO B 179 16.061 -5.799 7.757 1.00 3.39 H new ATOM 1122 N GLY B 180 15.674 -2.774 3.182 1.00 2.62 N ATOM 1123 CA GLY B 180 15.893 -1.511 2.444 1.00 2.59 C ATOM 1124 C GLY B 180 14.640 -0.625 2.356 1.00 2.09 C ATOM 1125 O GLY B 180 14.701 0.539 2.759 1.00 2.62 O ATOM 0 H GLY B 180 15.839 -3.615 2.629 1.00 2.62 H new ATOM 0 HA2 GLY B 180 16.691 -0.950 2.930 1.00 2.59 H new ATOM 0 HA3 GLY B 180 16.235 -1.744 1.436 1.00 2.59 H new ATOM 1129 N LYS B 181 13.514 -1.210 1.892 1.00 1.92 N ATOM 1130 CA LYS B 181 12.189 -0.554 1.869 1.00 2.25 C ATOM 1131 C LYS B 181 12.150 0.615 0.865 1.00 1.95 C ATOM 1132 O LYS B 181 12.952 1.553 0.942 1.00 2.29 O ATOM 1133 CB LYS B 181 11.605 -0.161 3.266 1.00 3.21 C ATOM 1134 CG LYS B 181 10.584 -1.141 3.883 1.00 3.93 C ATOM 1135 CD LYS B 181 9.350 -1.455 2.997 1.00 4.68 C ATOM 1136 CE LYS B 181 9.106 -2.934 2.646 1.00 5.41 C ATOM 1137 NZ LYS B 181 10.225 -3.565 1.921 1.00 6.10 N ATOM 0 H LYS B 181 13.500 -2.159 1.520 1.00 1.92 H new ATOM 0 HA LYS B 181 11.508 -1.329 1.517 1.00 2.25 H new ATOM 0 HB2 LYS B 181 12.435 -0.048 3.964 1.00 3.21 H new ATOM 0 HB3 LYS B 181 11.129 0.816 3.175 1.00 3.21 H new ATOM 0 HG2 LYS B 181 11.095 -2.077 4.111 1.00 3.93 H new ATOM 0 HG3 LYS B 181 10.236 -0.729 4.830 1.00 3.93 H new ATOM 0 HD2 LYS B 181 8.463 -1.075 3.503 1.00 4.68 H new ATOM 0 HD3 LYS B 181 9.449 -0.897 2.066 1.00 4.68 H new ATOM 0 HE2 LYS B 181 8.921 -3.490 3.565 1.00 5.41 H new ATOM 0 HE3 LYS B 181 8.203 -3.010 2.040 1.00 5.41 H new ATOM 0 HZ1 LYS B 181 10.013 -4.571 1.763 1.00 6.10 H new ATOM 0 HZ2 LYS B 181 10.356 -3.091 1.005 1.00 6.10 H new ATOM 0 HZ3 LYS B 181 11.096 -3.479 2.483 1.00 6.10 H new ATOM 1151 N ARG B 182 11.193 0.565 -0.068 1.00 2.18 N ATOM 1152 CA ARG B 182 11.152 1.540 -1.188 1.00 2.54 C ATOM 1153 C ARG B 182 10.479 2.856 -0.713 1.00 2.26 C ATOM 1154 O ARG B 182 10.378 3.144 0.488 1.00 3.04 O ATOM 1155 CB ARG B 182 10.579 0.894 -2.495 1.00 3.59 C ATOM 1156 CG ARG B 182 10.872 -0.592 -2.774 1.00 4.33 C ATOM 1157 CD ARG B 182 12.362 -1.023 -2.670 1.00 5.17 C ATOM 1158 NE ARG B 182 12.553 -2.279 -1.898 1.00 5.65 N ATOM 1159 CZ ARG B 182 12.088 -3.486 -2.277 1.00 6.08 C ATOM 1160 NH1 ARG B 182 11.426 -3.694 -3.414 1.00 6.22 N ATOM 1161 NH2 ARG B 182 12.286 -4.513 -1.473 1.00 6.67 N ATOM 0 H ARG B 182 10.442 -0.125 -0.080 1.00 2.18 H new ATOM 0 HA ARG B 182 12.161 1.829 -1.483 1.00 2.54 H new ATOM 0 HB2 ARG B 182 9.496 1.020 -2.479 1.00 3.59 H new ATOM 0 HB3 ARG B 182 10.955 1.470 -3.341 1.00 3.59 H new ATOM 0 HG2 ARG B 182 10.290 -1.194 -2.076 1.00 4.33 H new ATOM 0 HG3 ARG B 182 10.514 -0.831 -3.776 1.00 4.33 H new ATOM 0 HD2 ARG B 182 12.767 -1.155 -3.673 1.00 5.17 H new ATOM 0 HD3 ARG B 182 12.933 -0.223 -2.199 1.00 5.17 H new ATOM 0 HE ARG B 182 13.072 -2.224 -1.021 1.00 5.65 H new ATOM 0 HH11 ARG B 182 11.248 -2.917 -4.050 1.00 6.22 H new ATOM 0 HH12 ARG B 182 11.097 -4.631 -3.649 1.00 6.22 H new ATOM 0 HH21 ARG B 182 12.780 -4.382 -0.590 1.00 6.67 H new ATOM 0 HH22 ARG B 182 11.945 -5.438 -1.734 1.00 6.67 H new ATOM 1175 N THR B 183 10.043 3.672 -1.675 1.00 1.79 N ATOM 1176 CA THR B 183 9.170 4.834 -1.391 1.00 2.12 C ATOM 1177 C THR B 183 7.696 4.473 -1.762 1.00 1.82 C ATOM 1178 O THR B 183 7.052 5.148 -2.572 1.00 2.53 O ATOM 1179 CB THR B 183 9.719 6.083 -2.138 1.00 3.18 C ATOM 1180 OG1 THR B 183 11.146 6.151 -2.138 1.00 3.66 O ATOM 1181 CG2 THR B 183 9.202 7.383 -1.506 1.00 4.12 C ATOM 0 H THR B 183 10.276 3.557 -2.661 1.00 1.79 H new ATOM 0 HA THR B 183 9.171 5.082 -0.330 1.00 2.12 H new ATOM 0 HB THR B 183 9.364 5.978 -3.163 1.00 3.18 H new ATOM 0 HG1 THR B 183 11.435 6.953 -2.621 1.00 3.66 H new ATOM 0 HG21 THR B 183 9.604 8.237 -2.051 1.00 4.12 H new ATOM 0 HG22 THR B 183 8.113 7.402 -1.553 1.00 4.12 H new ATOM 0 HG23 THR B 183 9.522 7.434 -0.465 1.00 4.12 H new ATOM 1189 N GLU B 184 7.164 3.421 -1.106 1.00 1.61 N ATOM 1190 CA GLU B 184 5.799 2.870 -1.300 1.00 2.21 C ATOM 1191 C GLU B 184 4.710 3.958 -1.304 1.00 1.78 C ATOM 1192 O GLU B 184 4.703 4.848 -0.445 1.00 1.94 O ATOM 1193 CB GLU B 184 5.449 1.863 -0.169 1.00 3.10 C ATOM 1194 CG GLU B 184 6.546 0.833 0.204 1.00 3.82 C ATOM 1195 CD GLU B 184 7.278 1.209 1.498 1.00 4.46 C ATOM 1196 OE1 GLU B 184 8.025 2.206 1.507 1.00 5.22 O ATOM 1197 OE2 GLU B 184 7.084 0.535 2.527 1.00 4.51 O ATOM 0 H GLU B 184 7.691 2.909 -0.398 1.00 1.61 H new ATOM 0 HA GLU B 184 5.814 2.381 -2.274 1.00 2.21 H new ATOM 0 HB2 GLU B 184 5.195 2.430 0.726 1.00 3.10 H new ATOM 0 HB3 GLU B 184 4.554 1.316 -0.464 1.00 3.10 H new ATOM 0 HG2 GLU B 184 6.093 -0.152 0.318 1.00 3.82 H new ATOM 0 HG3 GLU B 184 7.266 0.761 -0.611 1.00 3.82 H new ATOM 1204 N SER B 185 3.843 3.889 -2.312 1.00 1.40 N ATOM 1205 CA SER B 185 2.778 4.894 -2.486 1.00 1.19 C ATOM 1206 C SER B 185 1.453 4.290 -1.970 1.00 1.05 C ATOM 1207 O SER B 185 1.405 3.263 -1.274 1.00 1.26 O ATOM 1208 CB SER B 185 2.779 5.376 -3.962 1.00 1.45 C ATOM 1209 OG SER B 185 4.077 5.741 -4.417 1.00 1.90 O ATOM 0 H SER B 185 3.850 3.155 -3.021 1.00 1.40 H new ATOM 0 HA SER B 185 2.938 5.796 -1.896 1.00 1.19 H new ATOM 0 HB2 SER B 185 2.384 4.585 -4.599 1.00 1.45 H new ATOM 0 HB3 SER B 185 2.109 6.230 -4.062 1.00 1.45 H new ATOM 0 HG SER B 185 4.026 6.035 -5.350 1.00 1.90 H new ATOM 1215 N PHE B 186 0.360 4.976 -2.306 1.00 0.92 N ATOM 1216 CA PHE B 186 -0.983 4.470 -2.024 1.00 0.80 C ATOM 1217 C PHE B 186 -1.532 3.599 -3.173 1.00 0.72 C ATOM 1218 O PHE B 186 -1.009 3.550 -4.289 1.00 0.88 O ATOM 1219 CB PHE B 186 -1.879 5.676 -1.651 1.00 0.81 C ATOM 1220 CG PHE B 186 -3.098 5.222 -0.857 1.00 0.71 C ATOM 1221 CD1 PHE B 186 -2.937 4.542 0.359 1.00 1.24 C ATOM 1222 CD2 PHE B 186 -4.386 5.473 -1.336 1.00 1.32 C ATOM 1223 CE1 PHE B 186 -4.042 4.149 1.081 1.00 1.22 C ATOM 1224 CE2 PHE B 186 -5.489 5.163 -0.558 1.00 1.36 C ATOM 1225 CZ PHE B 186 -5.309 4.557 0.677 1.00 0.76 C ATOM 0 H PHE B 186 0.379 5.882 -2.773 1.00 0.92 H new ATOM 0 HA PHE B 186 -0.963 3.787 -1.175 1.00 0.80 H new ATOM 0 HB2 PHE B 186 -1.305 6.393 -1.065 1.00 0.81 H new ATOM 0 HB3 PHE B 186 -2.201 6.189 -2.557 1.00 0.81 H new ATOM 0 HD1 PHE B 186 -1.946 4.326 0.730 1.00 1.24 H new ATOM 0 HD2 PHE B 186 -4.522 5.909 -2.314 1.00 1.32 H new ATOM 0 HE1 PHE B 186 -3.925 3.527 1.956 1.00 1.22 H new ATOM 0 HE2 PHE B 186 -6.484 5.392 -0.911 1.00 1.36 H new ATOM 0 HZ PHE B 186 -6.157 4.401 1.328 1.00 0.76 H new ATOM 1235 N TYR B 187 -2.608 2.891 -2.825 1.00 0.78 N ATOM 1236 CA TYR B 187 -3.366 2.055 -3.760 1.00 0.79 C ATOM 1237 C TYR B 187 -4.864 2.483 -3.767 1.00 0.91 C ATOM 1238 O TYR B 187 -5.178 3.650 -3.512 1.00 1.44 O ATOM 1239 CB TYR B 187 -3.002 0.590 -3.439 1.00 0.85 C ATOM 1240 CG TYR B 187 -2.608 -0.294 -4.641 1.00 0.85 C ATOM 1241 CD1 TYR B 187 -3.427 -0.385 -5.766 1.00 1.49 C ATOM 1242 CD2 TYR B 187 -1.451 -1.059 -4.606 1.00 1.44 C ATOM 1243 CE1 TYR B 187 -3.104 -1.235 -6.817 1.00 1.66 C ATOM 1244 CE2 TYR B 187 -1.119 -1.914 -5.652 1.00 1.48 C ATOM 1245 CZ TYR B 187 -1.947 -1.986 -6.767 1.00 1.17 C ATOM 1246 OH TYR B 187 -1.562 -2.732 -7.836 1.00 1.41 O ATOM 0 H TYR B 187 -2.982 2.881 -1.876 1.00 0.78 H new ATOM 0 HA TYR B 187 -3.106 2.185 -4.810 1.00 0.79 H new ATOM 0 HB2 TYR B 187 -2.175 0.590 -2.729 1.00 0.85 H new ATOM 0 HB3 TYR B 187 -3.853 0.128 -2.938 1.00 0.85 H new ATOM 0 HD1 TYR B 187 -4.324 0.213 -5.821 1.00 1.49 H new ATOM 0 HD2 TYR B 187 -0.796 -0.989 -3.750 1.00 1.44 H new ATOM 0 HE1 TYR B 187 -3.758 -1.308 -7.673 1.00 1.66 H new ATOM 0 HE2 TYR B 187 -0.225 -2.517 -5.599 1.00 1.48 H new ATOM 0 HH TYR B 187 -0.724 -3.195 -7.627 1.00 1.41 H new ATOM 1256 N GLU B 188 -5.809 1.573 -4.076 1.00 0.89 N ATOM 1257 CA GLU B 188 -7.271 1.835 -3.915 1.00 1.01 C ATOM 1258 C GLU B 188 -7.737 2.352 -2.530 1.00 1.13 C ATOM 1259 O GLU B 188 -8.630 3.198 -2.449 1.00 1.33 O ATOM 1260 CB GLU B 188 -8.124 0.662 -4.476 1.00 1.05 C ATOM 1261 CG GLU B 188 -9.642 0.557 -4.181 1.00 1.30 C ATOM 1262 CD GLU B 188 -10.481 -0.204 -5.224 1.00 1.74 C ATOM 1263 OE1 GLU B 188 -10.130 -0.223 -6.424 1.00 2.25 O ATOM 1264 OE2 GLU B 188 -11.532 -0.761 -4.844 1.00 2.25 O ATOM 0 H GLU B 188 -5.595 0.645 -4.440 1.00 0.89 H new ATOM 0 HA GLU B 188 -7.461 2.709 -4.538 1.00 1.01 H new ATOM 0 HB2 GLU B 188 -8.011 0.677 -5.560 1.00 1.05 H new ATOM 0 HB3 GLU B 188 -7.667 -0.262 -4.121 1.00 1.05 H new ATOM 0 HG2 GLU B 188 -9.771 0.070 -3.214 1.00 1.30 H new ATOM 0 HG3 GLU B 188 -10.044 1.566 -4.086 1.00 1.30 H new ATOM 1271 N CYS B 189 -7.139 1.809 -1.468 1.00 1.10 N ATOM 1272 CA CYS B 189 -7.533 2.072 -0.073 1.00 1.30 C ATOM 1273 C CYS B 189 -6.558 1.518 0.977 1.00 1.30 C ATOM 1274 O CYS B 189 -6.367 2.114 2.041 1.00 1.25 O ATOM 1275 CB CYS B 189 -8.981 1.627 0.266 1.00 1.86 C ATOM 1276 SG CYS B 189 -9.115 -0.056 0.920 1.00 2.37 S ATOM 0 H CYS B 189 -6.354 1.163 -1.549 1.00 1.10 H new ATOM 0 HA CYS B 189 -7.493 3.160 -0.014 1.00 1.30 H new ATOM 0 HB2 CYS B 189 -9.400 2.321 0.995 1.00 1.86 H new ATOM 0 HB3 CYS B 189 -9.591 1.703 -0.634 1.00 1.86 H new ATOM 1281 N CYS B 190 -6.088 0.292 0.756 1.00 1.56 N ATOM 1282 CA CYS B 190 -5.532 -0.555 1.819 1.00 1.84 C ATOM 1283 C CYS B 190 -4.672 -1.709 1.220 1.00 2.21 C ATOM 1284 O CYS B 190 -4.739 -2.843 1.710 1.00 2.46 O ATOM 1285 CB CYS B 190 -6.695 -1.098 2.711 1.00 2.22 C ATOM 1286 SG CYS B 190 -8.253 -0.156 2.744 1.00 2.33 S ATOM 0 H CYS B 190 -6.080 -0.146 -0.165 1.00 1.56 H new ATOM 0 HA CYS B 190 -4.867 0.040 2.445 1.00 1.84 H new ATOM 0 HB2 CYS B 190 -6.924 -2.112 2.382 1.00 2.22 H new ATOM 0 HB3 CYS B 190 -6.326 -1.171 3.734 1.00 2.22 H new ATOM 1291 N LYS B 191 -3.834 -1.456 0.183 1.00 2.57 N ATOM 1292 CA LYS B 191 -2.883 -2.486 -0.333 1.00 2.98 C ATOM 1293 C LYS B 191 -1.561 -2.508 0.449 1.00 2.56 C ATOM 1294 O LYS B 191 -0.542 -2.990 -0.053 1.00 2.89 O ATOM 1295 CB LYS B 191 -2.551 -2.267 -1.820 1.00 3.84 C ATOM 1296 CG LYS B 191 -2.363 -3.536 -2.687 1.00 4.46 C ATOM 1297 CD LYS B 191 -0.908 -3.983 -2.943 1.00 5.02 C ATOM 1298 CE LYS B 191 -0.600 -5.444 -2.602 1.00 5.91 C ATOM 1299 NZ LYS B 191 -0.013 -5.559 -1.262 1.00 6.25 N ATOM 0 H LYS B 191 -3.793 -0.563 -0.309 1.00 2.57 H new ATOM 0 HA LYS B 191 -3.396 -3.439 -0.203 1.00 2.98 H new ATOM 0 HB2 LYS B 191 -3.348 -1.669 -2.262 1.00 3.84 H new ATOM 0 HB3 LYS B 191 -1.637 -1.676 -1.881 1.00 3.84 H new ATOM 0 HG2 LYS B 191 -2.894 -4.359 -2.208 1.00 4.46 H new ATOM 0 HG3 LYS B 191 -2.843 -3.365 -3.651 1.00 4.46 H new ATOM 0 HD2 LYS B 191 -0.674 -3.816 -3.994 1.00 5.02 H new ATOM 0 HD3 LYS B 191 -0.242 -3.344 -2.363 1.00 5.02 H new ATOM 0 HE2 LYS B 191 -1.515 -6.034 -2.654 1.00 5.91 H new ATOM 0 HE3 LYS B 191 0.087 -5.856 -3.341 1.00 5.91 H new ATOM 0 HZ1 LYS B 191 0.980 -5.858 -1.342 1.00 6.25 H new ATOM 0 HZ2 LYS B 191 -0.059 -4.637 -0.783 1.00 6.25 H new ATOM 0 HZ3 LYS B 191 -0.543 -6.263 -0.710 1.00 6.25 H new ATOM 1313 N GLU B 192 -1.545 -2.011 1.701 1.00 2.11 N ATOM 1314 CA GLU B 192 -0.368 -2.093 2.571 1.00 2.24 C ATOM 1315 C GLU B 192 0.709 -1.098 1.977 1.00 2.18 C ATOM 1316 O GLU B 192 0.337 -0.117 1.308 1.00 2.73 O ATOM 1317 CB GLU B 192 -0.016 -3.615 2.809 1.00 2.44 C ATOM 1318 CG GLU B 192 -1.138 -4.694 2.789 1.00 3.07 C ATOM 1319 CD GLU B 192 -0.927 -5.857 3.750 1.00 3.70 C ATOM 1320 OE1 GLU B 192 0.191 -6.416 3.802 1.00 4.15 O ATOM 1321 OE2 GLU B 192 -1.888 -6.219 4.462 1.00 4.09 O ATOM 0 H GLU B 192 -2.345 -1.545 2.130 1.00 2.11 H new ATOM 0 HA GLU B 192 -0.494 -1.744 3.596 1.00 2.24 H new ATOM 0 HB2 GLU B 192 0.717 -3.898 2.054 1.00 2.44 H new ATOM 0 HB3 GLU B 192 0.480 -3.684 3.777 1.00 2.44 H new ATOM 0 HG2 GLU B 192 -2.088 -4.214 3.025 1.00 3.07 H new ATOM 0 HG3 GLU B 192 -1.224 -5.089 1.777 1.00 3.07 H new ATOM 1328 N PRO B 193 2.034 -1.328 2.093 1.00 2.11 N ATOM 1329 CA PRO B 193 3.033 -0.658 1.239 1.00 2.68 C ATOM 1330 C PRO B 193 3.008 -1.223 -0.215 1.00 2.19 C ATOM 1331 O PRO B 193 3.729 -2.191 -0.461 1.00 2.66 O ATOM 1332 CB PRO B 193 4.323 -0.950 2.038 1.00 3.34 C ATOM 1333 CG PRO B 193 3.967 -1.534 3.395 1.00 3.12 C ATOM 1334 CD PRO B 193 2.621 -2.163 3.149 1.00 2.27 C ATOM 0 HA PRO B 193 2.883 0.408 1.065 1.00 2.68 H new ATOM 0 HB2 PRO B 193 4.954 -1.647 1.486 1.00 3.34 H new ATOM 0 HB3 PRO B 193 4.898 -0.033 2.166 1.00 3.34 H new ATOM 0 HG2 PRO B 193 4.702 -2.269 3.724 1.00 3.12 H new ATOM 0 HG3 PRO B 193 3.918 -0.765 4.166 1.00 3.12 H new ATOM 0 HD2 PRO B 193 2.716 -3.201 2.832 1.00 2.27 H new ATOM 0 HD3 PRO B 193 2.007 -2.160 4.050 1.00 2.27 H new ATOM 1342 N TYR B 194 2.181 -0.630 -1.133 1.00 1.40 N ATOM 1343 CA TYR B 194 2.081 -0.961 -2.606 1.00 1.16 C ATOM 1344 C TYR B 194 3.061 -2.053 -3.159 1.00 1.49 C ATOM 1345 O TYR B 194 2.567 -3.141 -3.474 1.00 2.43 O ATOM 1346 CB TYR B 194 2.025 0.352 -3.483 1.00 1.25 C ATOM 1347 CG TYR B 194 1.986 0.246 -5.047 1.00 0.94 C ATOM 1348 CD1 TYR B 194 2.985 -0.370 -5.812 1.00 1.74 C ATOM 1349 CD2 TYR B 194 0.845 0.710 -5.730 1.00 1.37 C ATOM 1350 CE1 TYR B 194 2.803 -0.695 -7.141 1.00 2.06 C ATOM 1351 CE2 TYR B 194 0.647 0.357 -7.061 1.00 1.82 C ATOM 1352 CZ TYR B 194 1.601 -0.355 -7.762 1.00 1.87 C ATOM 1353 OH TYR B 194 1.401 -0.743 -9.055 1.00 2.58 O ATOM 0 H TYR B 194 1.541 0.118 -0.865 1.00 1.40 H new ATOM 0 HA TYR B 194 1.125 -1.476 -2.702 1.00 1.16 H new ATOM 0 HB2 TYR B 194 1.142 0.912 -3.173 1.00 1.25 H new ATOM 0 HB3 TYR B 194 2.894 0.955 -3.220 1.00 1.25 H new ATOM 0 HD1 TYR B 194 3.932 -0.599 -5.345 1.00 1.74 H new ATOM 0 HD2 TYR B 194 0.127 1.337 -5.223 1.00 1.37 H new ATOM 0 HE1 TYR B 194 3.580 -1.205 -7.692 1.00 2.06 H new ATOM 0 HE2 TYR B 194 -0.269 0.645 -7.555 1.00 1.82 H new ATOM 0 HH TYR B 194 0.520 -0.437 -9.356 1.00 2.58 H new ATOM 1363 N PRO B 195 4.415 -1.823 -3.247 1.00 1.28 N ATOM 1364 CA PRO B 195 5.402 -2.839 -3.667 1.00 1.75 C ATOM 1365 C PRO B 195 5.421 -4.040 -2.696 1.00 2.13 C ATOM 1366 O PRO B 195 5.861 -3.925 -1.546 1.00 2.77 O ATOM 1367 CB PRO B 195 6.739 -2.063 -3.655 1.00 1.97 C ATOM 1368 CG PRO B 195 6.506 -0.879 -2.726 1.00 2.19 C ATOM 1369 CD PRO B 195 5.055 -0.523 -2.961 1.00 1.72 C ATOM 0 HA PRO B 195 5.181 -3.275 -4.641 1.00 1.75 H new ATOM 0 HB2 PRO B 195 7.555 -2.690 -3.296 1.00 1.97 H new ATOM 0 HB3 PRO B 195 7.010 -1.730 -4.657 1.00 1.97 H new ATOM 0 HG2 PRO B 195 6.690 -1.144 -1.685 1.00 2.19 H new ATOM 0 HG3 PRO B 195 7.167 -0.046 -2.965 1.00 2.19 H new ATOM 0 HD2 PRO B 195 4.614 -0.044 -2.087 1.00 1.72 H new ATOM 0 HD3 PRO B 195 4.943 0.170 -3.795 1.00 1.72 H new ATOM 1377 N ASP B 196 4.896 -5.174 -3.185 1.00 2.56 N ATOM 1378 CA ASP B 196 4.869 -6.454 -2.442 1.00 3.54 C ATOM 1379 C ASP B 196 3.840 -6.421 -1.282 1.00 3.94 C ATOM 1380 O ASP B 196 2.721 -6.946 -1.463 1.00 4.26 O ATOM 1381 CB ASP B 196 6.301 -6.927 -2.039 1.00 4.35 C ATOM 1382 CG ASP B 196 6.584 -8.431 -2.103 1.00 4.73 C ATOM 1383 OD1 ASP B 196 5.640 -9.253 -2.116 1.00 5.44 O ATOM 1384 OD2 ASP B 196 7.779 -8.796 -2.148 1.00 4.71 O ATOM 0 H ASP B 196 4.475 -5.234 -4.112 1.00 2.56 H new ATOM 0 HA ASP B 196 4.506 -7.231 -3.114 1.00 3.54 H new ATOM 0 HB2 ASP B 196 7.019 -6.420 -2.684 1.00 4.35 H new ATOM 0 HB3 ASP B 196 6.494 -6.590 -1.021 1.00 4.35 H new TER 1389 ASP B 196 CONECT 43 311 CONECT 218 639 CONECT 311 43 CONECT 429 481 CONECT 481 429 CONECT 639 218 CONECT 683 857 CONECT 857 683 CONECT 867 936 CONECT 936 867 CONECT 1276 1286 CONECT 1286 1276 END